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 1m5y_1_D DATA FIRST_RESID 25 DATA SEQUENCE VDKVAAVVNN GVVLESDVDG LMQSVKLNAA QARQQLPDDA TLRHQIMERL DATA SEQUENCE IMDQIILQMG QKMGVKISDE QLDQAIANIA KQNNMTLDQM RSRLAYDGLN DATA SEQUENCE YNTYRNQIRK EMIISEVRNN EVRRRITILP QEVESLAQQX XXXXXXXTEL DATA SEQUENCE NLSHILIPLP ENPTSDQVNE AESQARAIVD QARNGADFGK LAIAHSADQQ DATA SEQUENCE ALNGGQMGWG RIQELPGIFA QALSTAKKGD IVGPIRSGVG FHILKVNDLR DATA SEQUENCE GESKNISVTE VHARHILLKP SPIMTDEQAR VKLEQIAADI KSGKTTFAAA DATA SEQUENCE AKEFSQDPGS ANQGGDLGWA TPDIFDPAFR DALTRLNKGQ MSAPVHSSFG DATA SEQUENCE WHLIELLDTR NVDKXXXXXX XRAYRMLMNR KFSEEAASWM QEQRASAYVK DATA SEQUENCE ILSN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 25 V HA 0.000 nan 4.120 nan 0.000 0.244 25 V C 0.000 176.093 176.094 -0.002 0.000 1.182 25 V CA 0.000 62.299 62.300 -0.001 0.000 1.235 25 V CB 0.000 31.822 31.823 -0.001 0.000 1.184 26 D N 3.462 123.861 120.400 -0.002 0.000 2.441 26 D HA 0.304 4.944 4.640 -0.000 0.000 0.221 26 D C 0.539 176.835 176.300 -0.005 0.000 1.156 26 D CA 0.072 54.070 54.000 -0.004 0.000 0.896 26 D CB 0.829 41.627 40.800 -0.003 0.000 1.028 26 D HN 0.536 nan 8.370 nan 0.000 0.509 27 K N 1.049 121.445 120.400 -0.006 0.000 2.344 27 K HA 0.157 4.477 4.320 -0.000 0.000 0.260 27 K C -0.210 176.384 176.600 -0.011 0.000 0.988 27 K CA -0.368 55.915 56.287 -0.008 0.000 0.909 27 K CB 0.897 33.392 32.500 -0.008 0.000 0.968 27 K HN 0.160 nan 8.250 nan 0.000 0.505 28 V N 1.946 121.852 119.914 -0.013 0.000 2.370 28 V HA 0.122 4.242 4.120 -0.000 0.000 0.279 28 V C 0.752 176.832 176.094 -0.023 0.000 1.029 28 V CA 0.061 62.350 62.300 -0.019 0.000 0.870 28 V CB 1.087 32.898 31.823 -0.019 0.000 0.984 28 V HN 0.971 nan 8.190 nan 0.000 0.451 29 A N 4.419 127.223 122.820 -0.027 0.000 1.975 29 A HA 0.711 5.031 4.320 -0.000 0.000 0.215 29 A C 0.961 178.522 177.584 -0.040 0.000 1.170 29 A CA 1.013 53.033 52.037 -0.029 0.000 0.656 29 A CB 0.117 19.101 19.000 -0.027 0.000 0.821 29 A HN 1.316 nan 8.150 nan 0.000 0.449 30 A N -1.604 121.186 122.820 -0.051 0.000 2.594 30 A HA 0.540 4.860 4.320 -0.000 0.000 0.296 30 A C -1.046 176.482 177.584 -0.093 0.000 1.056 30 A CA -0.422 51.569 52.037 -0.075 0.000 0.693 30 A CB 0.555 19.508 19.000 -0.078 0.000 1.278 30 A HN 0.482 nan 8.150 nan 0.000 0.408 31 V N 0.746 120.575 119.914 -0.141 0.000 2.539 31 V HA 0.641 4.761 4.120 -0.000 0.000 0.292 31 V C -0.261 175.689 176.094 -0.240 0.000 1.045 31 V CA -0.494 61.702 62.300 -0.174 0.000 0.945 31 V CB 1.426 33.114 31.823 -0.224 0.000 0.993 31 V HN 0.763 nan 8.190 nan 0.000 0.464 32 V N 5.161 124.978 119.914 -0.162 0.000 2.498 32 V HA 0.419 4.539 4.120 -0.000 0.000 0.283 32 V C 0.293 176.370 176.094 -0.028 0.000 1.015 32 V CA -0.496 61.727 62.300 -0.129 0.000 0.867 32 V CB 0.850 32.622 31.823 -0.085 0.000 1.025 32 V HN 1.017 nan 8.190 nan 0.000 0.441 33 N N 3.491 122.226 118.700 0.058 0.000 1.347 33 N HA -0.261 4.479 4.740 -0.000 0.000 0.141 33 N C 0.498 176.115 175.510 0.178 0.000 0.677 33 N CA 2.039 55.210 53.050 0.201 0.000 1.016 33 N CB -0.566 37.978 38.487 0.095 0.000 1.268 33 N HN 0.726 nan 8.380 nan 0.000 0.487 34 N N 2.675 121.431 118.700 0.093 0.000 2.994 34 N HA 0.476 5.216 4.740 -0.000 0.000 0.306 34 N C 0.400 175.934 175.510 0.041 0.000 1.348 34 N CA 0.672 53.763 53.050 0.068 0.000 1.109 34 N CB 0.354 38.869 38.487 0.046 0.000 1.415 34 N HN 0.643 nan 8.380 nan 0.000 0.529 35 G N -1.306 107.513 108.800 0.033 0.000 2.430 35 G HA2 0.471 4.431 3.960 -0.000 0.000 0.300 35 G HA3 0.471 4.431 3.960 -0.000 0.000 0.300 35 G C -1.423 173.470 174.900 -0.010 0.000 1.330 35 G CA -0.411 44.694 45.100 0.009 0.000 0.813 35 G HN 0.082 nan 8.290 nan 0.000 0.487 36 V N -3.279 116.624 119.914 -0.018 0.000 3.167 36 V HA 0.906 5.026 4.120 -0.000 0.000 0.310 36 V C -0.857 175.216 176.094 -0.034 0.000 1.207 36 V CA -1.141 61.139 62.300 -0.033 0.000 1.059 36 V CB 1.599 33.406 31.823 -0.025 0.000 1.079 36 V HN 0.973 nan 8.190 nan 0.000 0.446 37 V N 2.412 122.302 119.914 -0.041 0.000 2.349 37 V HA 0.426 4.546 4.120 -0.000 0.000 0.284 37 V C -0.037 176.038 176.094 -0.031 0.000 1.014 37 V CA -0.297 61.981 62.300 -0.037 0.000 0.826 37 V CB 1.095 32.889 31.823 -0.047 0.000 1.009 37 V HN 0.741 nan 8.190 nan 0.000 0.431 38 L N 3.343 124.552 121.223 -0.023 0.000 2.439 38 L HA 0.291 4.631 4.340 -0.000 0.000 0.269 38 L C 1.711 178.571 176.870 -0.017 0.000 1.179 38 L CA -0.218 54.611 54.840 -0.018 0.000 0.828 38 L CB 0.641 42.692 42.059 -0.013 0.000 1.106 38 L HN 0.578 nan 8.230 nan 0.000 0.467 39 E N 0.998 121.189 120.200 -0.014 0.000 2.118 39 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 39 E C 2.116 178.710 176.600 -0.010 0.000 0.992 39 E CA 1.548 57.941 56.400 -0.013 0.000 0.804 39 E CB -0.004 29.690 29.700 -0.010 0.000 0.741 39 E HN 0.831 nan 8.360 nan 0.000 0.458 40 S N 1.575 117.270 115.700 -0.008 0.000 2.359 40 S HA -0.210 4.260 4.470 -0.000 0.000 0.222 40 S C 1.586 176.183 174.600 -0.006 0.000 1.038 40 S CA 1.603 59.800 58.200 -0.005 0.000 1.051 40 S CB -0.494 62.704 63.200 -0.003 0.000 0.944 40 S HN 0.068 nan 8.310 nan 0.000 0.433 41 D N 1.374 121.769 120.400 -0.009 0.000 2.190 41 D HA -0.066 4.574 4.640 -0.000 0.000 0.200 41 D C 2.049 178.342 176.300 -0.013 0.000 0.992 41 D CA 1.149 55.143 54.000 -0.011 0.000 0.854 41 D CB -0.606 40.185 40.800 -0.015 0.000 0.936 41 D HN 0.410 nan 8.370 nan 0.000 0.462 42 V N 0.765 120.670 119.914 -0.015 0.000 2.548 42 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 42 V C 1.704 177.791 176.094 -0.012 0.000 1.055 42 V CA 1.486 63.775 62.300 -0.017 0.000 1.065 42 V CB -0.379 31.433 31.823 -0.019 0.000 0.681 42 V HN 0.005 nan 8.190 nan 0.000 0.462 43 D N 0.778 121.174 120.400 -0.008 0.000 2.117 43 D HA -0.060 4.580 4.640 -0.000 0.000 0.198 43 D C 2.260 178.560 176.300 0.000 0.000 0.982 43 D CA 1.429 55.427 54.000 -0.003 0.000 0.828 43 D CB -0.490 40.309 40.800 -0.002 0.000 0.967 43 D HN 0.393 nan 8.370 nan 0.000 0.464 44 G N 0.585 109.386 108.800 0.001 0.000 2.491 44 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 44 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 44 G C 1.520 176.424 174.900 0.006 0.000 1.180 44 G CA 0.619 45.723 45.100 0.007 0.000 0.774 44 G HN 0.215 nan 8.290 nan 0.000 0.562 45 L N -0.193 121.029 121.223 -0.001 0.000 2.093 45 L HA 0.136 4.476 4.340 -0.000 0.000 0.208 45 L C 2.758 179.626 176.870 -0.004 0.000 1.085 45 L CA 2.042 56.880 54.840 -0.004 0.000 0.755 45 L CB -0.374 41.676 42.059 -0.014 0.000 0.904 45 L HN 0.288 nan 8.230 nan 0.000 0.435 46 M N -1.166 118.431 119.600 -0.006 0.000 2.065 46 M HA -0.237 4.243 4.480 -0.000 0.000 0.259 46 M C 2.186 178.486 176.300 0.000 0.000 1.069 46 M CA 1.763 57.059 55.300 -0.006 0.000 1.110 46 M CB -0.446 32.151 32.600 -0.006 0.000 1.328 46 M HN 0.220 nan 8.290 nan 0.000 0.405 47 Q N -0.764 119.038 119.800 0.004 0.000 2.124 47 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 47 Q C 2.405 178.413 176.000 0.014 0.000 0.977 47 Q CA 1.825 57.633 55.803 0.009 0.000 0.850 47 Q CB -0.784 27.961 28.738 0.012 0.000 0.901 47 Q HN 0.640 nan 8.270 nan 0.000 0.429 48 S N -0.397 115.312 115.700 0.015 0.000 2.356 48 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 48 S C 2.010 176.621 174.600 0.017 0.000 1.032 48 S CA 1.134 59.347 58.200 0.021 0.000 1.005 48 S CB -0.050 63.164 63.200 0.024 0.000 0.867 48 S HN 0.191 nan 8.310 nan 0.000 0.449 49 V N 2.526 122.446 119.914 0.010 0.000 2.343 49 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 49 V C 2.639 178.738 176.094 0.008 0.000 1.051 49 V CA 1.540 63.845 62.300 0.007 0.000 1.036 49 V CB -0.550 31.272 31.823 -0.002 0.000 0.654 49 V HN 0.370 nan 8.190 nan 0.000 0.451 50 K N -0.286 120.118 120.400 0.007 0.000 2.009 50 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 50 K C 2.088 178.695 176.600 0.012 0.000 1.049 50 K CA 1.466 57.758 56.287 0.007 0.000 0.929 50 K CB -0.771 31.733 32.500 0.006 0.000 0.714 50 K HN 0.262 nan 8.250 nan 0.000 0.440 51 L N 2.198 123.430 121.223 0.015 0.000 1.976 51 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 51 L C 2.058 178.940 176.870 0.020 0.000 1.071 51 L CA 1.622 56.473 54.840 0.019 0.000 0.746 51 L CB -0.983 41.090 42.059 0.023 0.000 0.890 51 L HN 0.243 nan 8.230 nan 0.000 0.432 52 N N -0.378 118.336 118.700 0.022 0.000 2.137 52 N HA -0.236 4.504 4.740 -0.000 0.000 0.190 52 N C 1.763 177.286 175.510 0.021 0.000 1.017 52 N CA 1.624 54.688 53.050 0.024 0.000 0.859 52 N CB -0.227 38.276 38.487 0.026 0.000 1.002 52 N HN 0.423 nan 8.380 nan 0.000 0.428 53 A N 1.217 124.047 122.820 0.017 0.000 1.877 53 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 53 A C 2.451 180.044 177.584 0.016 0.000 1.186 53 A CA 2.020 54.066 52.037 0.015 0.000 0.620 53 A CB -0.801 18.204 19.000 0.010 0.000 0.822 53 A HN 0.353 nan 8.150 nan 0.000 0.443 54 A N -1.553 121.276 122.820 0.015 0.000 1.845 54 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 54 A C 1.963 179.557 177.584 0.017 0.000 1.195 54 A CA 1.554 53.600 52.037 0.015 0.000 0.616 54 A CB -0.576 18.432 19.000 0.014 0.000 0.832 54 A HN 0.408 nan 8.150 nan 0.000 0.443 55 Q N -0.719 119.092 119.800 0.019 0.000 2.615 55 Q HA -0.011 4.329 4.340 -0.000 0.000 0.220 55 Q C 1.105 177.118 176.000 0.022 0.000 0.981 55 Q CA 0.950 56.766 55.803 0.021 0.000 0.939 55 Q CB -0.249 28.503 28.738 0.023 0.000 0.982 55 Q HN 0.671 nan 8.270 nan 0.000 0.550 56 A N -0.533 122.300 122.820 0.022 0.000 2.653 56 A HA 0.177 4.497 4.320 -0.000 0.000 0.248 56 A C -0.070 177.528 177.584 0.023 0.000 1.211 56 A CA -0.407 51.644 52.037 0.024 0.000 0.991 56 A CB 0.661 19.676 19.000 0.026 0.000 1.252 56 A HN 0.193 nan 8.150 nan 0.000 0.593 57 R N -0.404 120.108 120.500 0.020 0.000 3.209 57 R HA -0.163 4.177 4.340 -0.000 0.000 0.252 57 R C -0.366 175.946 176.300 0.020 0.000 0.958 57 R CA 1.163 57.274 56.100 0.019 0.000 0.651 57 R CB -2.244 28.067 30.300 0.019 0.000 1.142 57 R HN 0.738 nan 8.270 nan 0.000 0.441 58 Q N 1.027 120.838 119.800 0.018 0.000 2.327 58 Q HA 0.269 4.609 4.340 -0.000 0.000 0.270 58 Q C -0.576 175.432 176.000 0.013 0.000 1.022 58 Q CA -0.489 55.325 55.803 0.018 0.000 0.773 58 Q CB 1.284 30.034 28.738 0.020 0.000 1.251 58 Q HN 0.250 nan 8.270 nan 0.000 0.457 59 Q N 2.952 122.760 119.800 0.013 0.000 2.361 59 Q HA 0.263 4.603 4.340 -0.000 0.000 0.276 59 Q C -0.528 175.472 176.000 0.001 0.000 1.022 59 Q CA 0.397 56.205 55.803 0.008 0.000 0.898 59 Q CB 0.760 29.504 28.738 0.010 0.000 1.246 59 Q HN 0.593 nan 8.270 nan 0.000 0.410 60 L N 3.815 125.035 121.223 -0.004 0.000 2.342 60 L HA 0.567 4.907 4.340 -0.000 0.000 0.271 60 L C -1.944 174.915 176.870 -0.019 0.000 1.008 60 L CA -2.271 52.562 54.840 -0.013 0.000 0.818 60 L CB 1.524 43.577 42.059 -0.011 0.000 1.296 60 L HN 0.543 nan 8.230 nan 0.000 0.427 61 P HA 0.064 nan 4.420 nan 0.000 0.275 61 P C -1.202 176.079 177.300 -0.031 0.000 1.266 61 P CA -0.513 62.563 63.100 -0.039 0.000 0.793 61 P CB 0.348 32.006 31.700 -0.071 0.000 1.074 62 D N 0.222 120.604 120.400 -0.029 0.000 2.449 62 D HA -0.089 4.551 4.640 -0.000 0.000 0.236 62 D C 0.281 176.567 176.300 -0.023 0.000 1.149 62 D CA -0.019 53.968 54.000 -0.023 0.000 0.878 62 D CB 0.346 41.133 40.800 -0.021 0.000 1.198 62 D HN 0.168 nan 8.370 nan 0.000 0.446 63 D N 1.545 121.935 120.400 -0.017 0.000 2.280 63 D HA -0.181 4.459 4.640 -0.000 0.000 0.206 63 D C 1.868 178.160 176.300 -0.012 0.000 0.988 63 D CA 1.839 55.831 54.000 -0.014 0.000 0.886 63 D CB -0.258 40.536 40.800 -0.010 0.000 0.914 63 D HN 0.611 nan 8.370 nan 0.000 0.473 64 A N -0.013 122.798 122.820 -0.016 0.000 1.841 64 A HA -0.158 4.162 4.320 -0.000 0.000 0.214 64 A C 2.396 179.975 177.584 -0.008 0.000 1.195 64 A CA 2.055 54.084 52.037 -0.015 0.000 0.611 64 A CB -0.952 18.033 19.000 -0.024 0.000 0.835 64 A HN 0.217 nan 8.150 nan 0.000 0.443 65 T N 0.206 114.744 114.554 -0.027 0.000 2.788 65 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 65 T C 1.826 176.526 174.700 0.000 0.000 1.044 65 T CA 1.491 63.573 62.100 -0.031 0.000 1.139 65 T CB -0.363 68.450 68.868 -0.091 0.000 0.867 65 T HN 0.244 nan 8.240 nan 0.000 0.454 66 L N 1.614 122.825 121.223 -0.020 0.000 2.017 66 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 66 L C 2.514 179.379 176.870 -0.009 0.000 1.073 66 L CA 1.744 56.571 54.840 -0.022 0.000 0.745 66 L CB -0.742 41.303 42.059 -0.024 0.000 0.894 66 L HN 0.094 nan 8.230 nan 0.000 0.432 67 R N -1.629 118.873 120.500 0.004 0.000 2.103 67 R HA -0.288 4.052 4.340 -0.000 0.000 0.242 67 R C 2.404 178.714 176.300 0.018 0.000 1.142 67 R CA 1.921 58.025 56.100 0.006 0.000 0.960 67 R CB -0.525 29.781 30.300 0.011 0.000 0.858 67 R HN 0.596 nan 8.270 nan 0.000 0.439 68 H N 0.568 119.607 119.070 -0.052 0.000 2.265 68 H HA -0.156 4.400 4.556 -0.000 0.000 0.295 68 H C 2.105 177.400 175.328 -0.055 0.000 1.084 68 H CA 2.427 58.442 56.048 -0.055 0.000 1.261 68 H CB -0.153 29.572 29.762 -0.063 0.000 1.360 68 H HN 0.222 nan 8.280 nan 0.000 0.487 69 Q N 0.040 119.733 119.800 -0.178 0.000 2.061 69 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 69 Q C 2.599 178.499 176.000 -0.166 0.000 0.984 69 Q CA 1.383 57.059 55.803 -0.212 0.000 0.846 69 Q CB -0.345 28.329 28.738 -0.107 0.000 0.902 69 Q HN 0.534 nan 8.270 nan 0.000 0.421 70 I N 0.554 121.062 120.570 -0.103 0.000 2.151 70 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 70 I C 2.313 178.373 176.117 -0.094 0.000 1.080 70 I CA 1.254 62.508 61.300 -0.076 0.000 1.339 70 I CB -0.937 37.036 38.000 -0.046 0.000 1.039 70 I HN 0.244 nan 8.210 nan 0.000 0.409 71 M N 0.305 119.837 119.600 -0.112 0.000 2.084 71 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 71 M C 2.227 178.439 176.300 -0.146 0.000 1.072 71 M CA 1.714 56.947 55.300 -0.111 0.000 1.107 71 M CB -1.306 31.236 32.600 -0.096 0.000 1.299 71 M HN 0.190 nan 8.290 nan 0.000 0.413 72 E N -0.208 119.849 120.200 -0.239 0.000 2.136 72 E HA -0.254 4.096 4.350 -0.000 0.000 0.202 72 E C 2.043 178.557 176.600 -0.143 0.000 1.019 72 E CA 1.479 57.746 56.400 -0.222 0.000 0.819 72 E CB -0.567 28.941 29.700 -0.321 0.000 0.739 72 E HN 0.290 nan 8.360 nan 0.000 0.458 73 R N 0.995 121.421 120.500 -0.124 0.000 2.062 73 R HA -0.040 4.300 4.340 -0.000 0.000 0.231 73 R C 2.526 178.786 176.300 -0.067 0.000 1.136 73 R CA 1.182 57.233 56.100 -0.080 0.000 0.948 73 R CB -0.922 29.340 30.300 -0.063 0.000 0.845 73 R HN 0.196 nan 8.270 nan 0.000 0.430 74 L N -0.084 121.099 121.223 -0.067 0.000 2.042 74 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 74 L C 2.472 179.305 176.870 -0.061 0.000 1.076 74 L CA 1.510 56.318 54.840 -0.055 0.000 0.749 74 L CB -0.471 41.557 42.059 -0.051 0.000 0.893 74 L HN 0.195 nan 8.230 nan 0.000 0.432 75 I N -0.943 119.581 120.570 -0.077 0.000 2.163 75 I HA -0.362 3.808 4.170 -0.000 0.000 0.243 75 I C 2.622 178.690 176.117 -0.082 0.000 1.085 75 I CA 1.407 62.658 61.300 -0.082 0.000 1.347 75 I CB -0.177 37.766 38.000 -0.095 0.000 1.044 75 I HN 0.312 nan 8.210 nan 0.000 0.408 76 M N 0.935 120.482 119.600 -0.088 0.000 2.086 76 M HA -0.228 4.252 4.480 -0.000 0.000 0.261 76 M C 1.646 177.904 176.300 -0.069 0.000 1.067 76 M CA 1.950 57.192 55.300 -0.096 0.000 1.116 76 M CB -0.510 32.033 32.600 -0.095 0.000 1.348 76 M HN 0.062 nan 8.290 nan 0.000 0.407 77 D N -0.570 119.803 120.400 -0.045 0.000 2.182 77 D HA -0.187 4.453 4.640 -0.000 0.000 0.201 77 D C 1.956 178.244 176.300 -0.020 0.000 0.986 77 D CA 1.088 55.076 54.000 -0.021 0.000 0.847 77 D CB -0.282 40.508 40.800 -0.017 0.000 0.942 77 D HN 0.427 nan 8.370 nan 0.000 0.467 78 Q N 0.438 120.218 119.800 -0.033 0.000 1.990 78 Q HA -0.039 4.301 4.340 -0.000 0.000 0.200 78 Q C 2.185 178.171 176.000 -0.024 0.000 0.980 78 Q CA 1.049 56.836 55.803 -0.028 0.000 0.832 78 Q CB -0.437 28.278 28.738 -0.039 0.000 0.897 78 Q HN 0.305 nan 8.270 nan 0.000 0.427 79 I N 0.471 121.015 120.570 -0.043 0.000 2.091 79 I HA -0.286 3.884 4.170 -0.000 0.000 0.239 79 I C 2.252 178.356 176.117 -0.021 0.000 1.061 79 I CA 1.283 62.556 61.300 -0.047 0.000 1.317 79 I CB -0.542 37.398 38.000 -0.100 0.000 1.031 79 I HN 0.349 nan 8.210 nan 0.000 0.401 80 I N 0.849 121.403 120.570 -0.025 0.000 2.756 80 I HA -0.214 3.956 4.170 -0.000 0.000 0.262 80 I C 2.121 178.285 176.117 0.079 0.000 1.225 80 I CA 1.521 62.855 61.300 0.056 0.000 1.472 80 I CB -0.283 37.770 38.000 0.089 0.000 1.094 80 I HN 0.262 nan 8.210 nan 0.000 0.454 81 L N 0.359 121.605 121.223 0.039 0.000 2.127 81 L HA -0.145 4.195 4.340 -0.000 0.000 0.203 81 L C 2.684 179.574 176.870 0.033 0.000 1.080 81 L CA 0.706 55.567 54.840 0.035 0.000 0.768 81 L CB -0.153 41.915 42.059 0.015 0.000 0.924 81 L HN 0.233 nan 8.230 nan 0.000 0.444 82 Q N -0.745 119.071 119.800 0.026 0.000 2.124 82 Q HA -0.286 4.054 4.340 -0.000 0.000 0.202 82 Q C 2.156 178.179 176.000 0.039 0.000 0.977 82 Q CA 1.765 57.584 55.803 0.026 0.000 0.850 82 Q CB -0.334 28.418 28.738 0.022 0.000 0.901 82 Q HN 0.525 nan 8.270 nan 0.000 0.429 83 M N 0.870 120.503 119.600 0.054 0.000 2.149 83 M HA -0.136 4.344 4.480 -0.000 0.000 0.261 83 M C 1.985 178.328 176.300 0.072 0.000 1.064 83 M CA 1.887 57.233 55.300 0.077 0.000 1.102 83 M CB -0.279 32.395 32.600 0.124 0.000 1.369 83 M HN 0.342 nan 8.290 nan 0.000 0.408 84 G N -0.632 108.208 108.800 0.067 0.000 2.422 84 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 84 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 84 G C 1.273 176.194 174.900 0.035 0.000 1.140 84 G CA 0.776 45.908 45.100 0.053 0.000 0.775 84 G HN 0.597 nan 8.290 nan 0.000 0.545 85 Q N 0.368 120.186 119.800 0.031 0.000 1.967 85 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 85 Q C 2.466 178.480 176.000 0.023 0.000 0.985 85 Q CA 1.846 57.662 55.803 0.023 0.000 0.839 85 Q CB -0.300 28.450 28.738 0.020 0.000 0.906 85 Q HN 0.474 nan 8.270 nan 0.000 0.423 86 K N 0.448 120.864 120.400 0.028 0.000 2.015 86 K HA -0.200 4.120 4.320 -0.000 0.000 0.216 86 K C 1.839 178.454 176.600 0.025 0.000 1.052 86 K CA 2.216 58.519 56.287 0.026 0.000 0.937 86 K CB -0.391 32.128 32.500 0.032 0.000 0.719 86 K HN 0.464 nan 8.250 nan 0.000 0.446 87 M N 0.092 119.709 119.600 0.030 0.000 2.915 87 M HA 0.222 4.702 4.480 -0.000 0.000 0.206 87 M C 0.274 176.585 176.300 0.019 0.000 1.271 87 M CA 0.614 55.929 55.300 0.024 0.000 1.122 87 M CB -0.622 31.996 32.600 0.029 0.000 1.655 87 M HN 0.236 nan 8.290 nan 0.000 0.434 88 G N 1.768 110.578 108.800 0.017 0.000 2.196 88 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.261 88 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.261 88 G C -0.322 174.585 174.900 0.012 0.000 0.832 88 G CA 0.021 45.128 45.100 0.013 0.000 1.246 88 G HN 0.538 nan 8.290 nan 0.000 0.383 89 V N 2.776 122.698 119.914 0.014 0.000 2.350 89 V HA 0.464 4.584 4.120 -0.000 0.000 0.276 89 V C 0.528 176.627 176.094 0.008 0.000 1.028 89 V CA -0.306 62.001 62.300 0.012 0.000 0.860 89 V CB 1.486 33.319 31.823 0.017 0.000 0.990 89 V HN 0.529 nan 8.190 nan 0.000 0.453 90 K N 4.893 125.296 120.400 0.005 0.000 2.318 90 K HA 0.653 4.973 4.320 -0.000 0.000 0.249 90 K C -1.360 175.240 176.600 -0.001 0.000 0.942 90 K CA -0.918 55.370 56.287 0.001 0.000 0.808 90 K CB 2.641 35.142 32.500 0.001 0.000 1.189 90 K HN 0.370 nan 8.250 nan 0.000 0.428 91 I N 1.997 122.565 120.570 -0.004 0.000 2.382 91 I HA 0.100 4.270 4.170 -0.000 0.000 0.285 91 I C 0.468 176.581 176.117 -0.006 0.000 1.007 91 I CA -0.356 60.940 61.300 -0.006 0.000 1.142 91 I CB 1.215 39.208 38.000 -0.012 0.000 1.289 91 I HN 0.562 nan 8.210 nan 0.000 0.453 92 S N 4.054 119.753 115.700 -0.002 0.000 2.568 92 S HA 0.013 4.483 4.470 -0.000 0.000 0.282 92 S C 1.146 175.747 174.600 0.002 0.000 1.338 92 S CA -0.127 58.074 58.200 0.001 0.000 1.045 92 S CB 0.546 63.749 63.200 0.004 0.000 0.873 92 S HN 0.497 nan 8.310 nan 0.000 0.516 93 D N 3.097 123.500 120.400 0.005 0.000 2.182 93 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 93 D C 1.762 178.073 176.300 0.018 0.000 0.986 93 D CA 1.416 55.422 54.000 0.009 0.000 0.847 93 D CB -0.080 40.729 40.800 0.016 0.000 0.942 93 D HN 0.734 nan 8.370 nan 0.000 0.467 94 E N 0.361 120.571 120.200 0.017 0.000 2.058 94 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 94 E C 2.218 178.829 176.600 0.019 0.000 0.997 94 E CA 1.098 57.510 56.400 0.020 0.000 0.801 94 E CB -0.144 29.565 29.700 0.016 0.000 0.746 94 E HN 0.532 nan 8.360 nan 0.000 0.450 95 Q N 0.635 120.443 119.800 0.012 0.000 2.230 95 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 95 Q C 2.283 178.290 176.000 0.011 0.000 0.963 95 Q CA 0.774 56.583 55.803 0.010 0.000 0.866 95 Q CB -0.291 28.450 28.738 0.005 0.000 0.931 95 Q HN 0.270 nan 8.270 nan 0.000 0.452 96 L N 1.410 122.637 121.223 0.007 0.000 2.017 96 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 96 L C 1.800 178.685 176.870 0.025 0.000 1.073 96 L CA 1.610 56.450 54.840 0.000 0.000 0.745 96 L CB -0.270 41.779 42.059 -0.017 0.000 0.894 96 L HN 0.275 nan 8.230 nan 0.000 0.432 97 D N -0.741 119.684 120.400 0.042 0.000 2.123 97 D HA -0.267 4.373 4.640 -0.000 0.000 0.196 97 D C 2.030 178.368 176.300 0.064 0.000 0.992 97 D CA 1.276 55.321 54.000 0.074 0.000 0.833 97 D CB -0.076 40.769 40.800 0.075 0.000 0.954 97 D HN 0.302 nan 8.370 nan 0.000 0.455 98 Q N 1.143 120.969 119.800 0.043 0.000 2.096 98 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 98 Q C 1.939 177.962 176.000 0.038 0.000 0.982 98 Q CA 2.039 57.863 55.803 0.036 0.000 0.850 98 Q CB -0.548 28.204 28.738 0.024 0.000 0.901 98 Q HN 0.229 nan 8.270 nan 0.000 0.422 99 A N 0.144 122.984 122.820 0.034 0.000 1.858 99 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 99 A C 2.182 179.799 177.584 0.055 0.000 1.190 99 A CA 1.590 53.646 52.037 0.032 0.000 0.617 99 A CB -0.837 18.172 19.000 0.014 0.000 0.827 99 A HN 0.469 nan 8.150 nan 0.000 0.443 100 I N -0.121 120.495 120.570 0.077 0.000 2.208 100 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 100 I C 2.983 179.174 176.117 0.123 0.000 1.097 100 I CA 1.102 62.483 61.300 0.135 0.000 1.363 100 I CB -0.480 37.638 38.000 0.197 0.000 1.051 100 I HN 0.381 nan 8.210 nan 0.000 0.413 101 A N 0.885 123.763 122.820 0.096 0.000 1.908 101 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 101 A C 2.127 179.746 177.584 0.059 0.000 1.181 101 A CA 1.998 54.078 52.037 0.072 0.000 0.627 101 A CB -0.745 18.288 19.000 0.056 0.000 0.818 101 A HN 0.448 nan 8.150 nan 0.000 0.445 102 N N -0.129 118.603 118.700 0.054 0.000 2.244 102 N HA -0.063 4.677 4.740 -0.000 0.000 0.183 102 N C 1.672 177.213 175.510 0.051 0.000 1.016 102 N CA 1.405 54.481 53.050 0.044 0.000 0.866 102 N CB -0.266 38.242 38.487 0.035 0.000 0.980 102 N HN 0.601 nan 8.380 nan 0.000 0.430 103 I N 0.804 121.416 120.570 0.070 0.000 2.315 103 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 103 I C 2.382 178.543 176.117 0.073 0.000 1.117 103 I CA 0.597 61.946 61.300 0.081 0.000 1.404 103 I CB -0.296 37.778 38.000 0.124 0.000 1.071 103 I HN 0.017 nan 8.210 nan 0.000 0.419 104 A N 1.124 123.987 122.820 0.072 0.000 1.877 104 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 104 A C 2.446 180.051 177.584 0.036 0.000 1.186 104 A CA 1.847 53.915 52.037 0.052 0.000 0.620 104 A CB -0.508 18.522 19.000 0.050 0.000 0.822 104 A HN 0.339 nan 8.150 nan 0.000 0.443 105 K N -0.887 119.534 120.400 0.035 0.000 2.057 105 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 105 K C 1.990 178.605 176.600 0.026 0.000 1.050 105 K CA 1.372 57.674 56.287 0.026 0.000 0.935 105 K CB -0.177 32.337 32.500 0.024 0.000 0.715 105 K HN 0.372 nan 8.250 nan 0.000 0.439 106 Q N 0.382 120.201 119.800 0.032 0.000 2.364 106 Q HA -0.080 4.260 4.340 -0.000 0.000 0.209 106 Q C 0.674 176.694 176.000 0.032 0.000 0.977 106 Q CA 0.921 56.743 55.803 0.032 0.000 0.885 106 Q CB -0.014 28.747 28.738 0.039 0.000 0.941 106 Q HN 0.378 nan 8.270 nan 0.000 0.464 107 N N 0.731 119.450 118.700 0.032 0.000 2.235 107 N HA 0.028 4.768 4.740 -0.000 0.000 0.231 107 N C -0.724 174.796 175.510 0.017 0.000 1.177 107 N CA -0.079 52.988 53.050 0.027 0.000 0.874 107 N CB 0.533 39.040 38.487 0.033 0.000 1.097 107 N HN 0.129 nan 8.380 nan 0.000 0.518 108 N N 0.928 119.637 118.700 0.015 0.000 2.727 108 N HA -0.174 4.566 4.740 -0.000 0.000 0.251 108 N C -0.716 174.796 175.510 0.002 0.000 1.040 108 N CA 1.006 54.060 53.050 0.007 0.000 0.712 108 N CB -1.044 37.446 38.487 0.004 0.000 0.912 108 N HN 0.443 nan 8.380 nan 0.000 0.545 109 M N -1.185 118.418 119.600 0.006 0.000 2.721 109 M HA 0.314 4.794 4.480 -0.000 0.000 0.271 109 M C 0.329 176.632 176.300 0.004 0.000 1.259 109 M CA -0.776 54.524 55.300 -0.000 0.000 0.835 109 M CB 2.181 34.779 32.600 -0.002 0.000 1.689 109 M HN 0.140 nan 8.290 nan 0.000 0.470 110 T N -1.336 113.217 114.554 -0.002 0.000 2.912 110 T HA 0.447 4.797 4.350 -0.000 0.000 0.280 110 T C 0.646 175.347 174.700 0.003 0.000 0.989 110 T CA -0.872 61.229 62.100 0.001 0.000 0.995 110 T CB 1.167 70.032 68.868 -0.006 0.000 1.077 110 T HN 0.664 nan 8.240 nan 0.000 0.531 111 L N 1.107 122.336 121.223 0.010 0.000 2.013 111 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 111 L C 1.762 178.618 176.870 -0.023 0.000 1.073 111 L CA 2.333 57.182 54.840 0.015 0.000 0.753 111 L CB -1.209 40.865 42.059 0.025 0.000 0.890 111 L HN 0.827 nan 8.230 nan 0.000 0.432 112 D N -0.989 119.390 120.400 -0.035 0.000 2.097 112 D HA -0.257 4.383 4.640 -0.000 0.000 0.195 112 D C 2.116 178.381 176.300 -0.057 0.000 0.989 112 D CA 1.532 55.496 54.000 -0.061 0.000 0.827 112 D CB -0.339 40.434 40.800 -0.045 0.000 0.966 112 D HN 0.550 nan 8.370 nan 0.000 0.456 113 Q N -0.485 119.293 119.800 -0.038 0.000 2.248 113 Q HA -0.190 4.150 4.340 -0.000 0.000 0.208 113 Q C 1.901 177.876 176.000 -0.040 0.000 0.984 113 Q CA 1.134 56.915 55.803 -0.037 0.000 0.875 113 Q CB -0.049 28.673 28.738 -0.027 0.000 0.910 113 Q HN 0.361 nan 8.270 nan 0.000 0.433 114 M N -1.017 118.562 119.600 -0.035 0.000 2.447 114 M HA -0.030 4.450 4.480 -0.000 0.000 0.266 114 M C 2.045 178.306 176.300 -0.066 0.000 1.120 114 M CA 0.719 55.998 55.300 -0.036 0.000 1.166 114 M CB 0.075 32.674 32.600 -0.002 0.000 1.349 114 M HN 0.056 nan 8.290 nan 0.000 0.463 115 R N -0.408 120.034 120.500 -0.096 0.000 2.105 115 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 115 R C 2.326 178.539 176.300 -0.145 0.000 1.135 115 R CA 1.949 57.930 56.100 -0.199 0.000 0.967 115 R CB -0.263 29.832 30.300 -0.343 0.000 0.861 115 R HN 0.408 nan 8.270 nan 0.000 0.442 116 S N -0.012 115.633 115.700 -0.092 0.000 2.357 116 S HA -0.139 4.331 4.470 -0.000 0.000 0.221 116 S C 1.909 176.509 174.600 -0.000 0.000 1.031 116 S CA 1.114 59.289 58.200 -0.043 0.000 0.982 116 S CB -0.104 63.075 63.200 -0.035 0.000 0.853 116 S HN 0.270 nan 8.310 nan 0.000 0.458 117 R N 1.010 121.496 120.500 -0.024 0.000 2.103 117 R HA -0.023 4.317 4.340 -0.000 0.000 0.242 117 R C 2.190 178.506 176.300 0.026 0.000 1.142 117 R CA 1.838 57.934 56.100 -0.007 0.000 0.960 117 R CB -0.869 29.407 30.300 -0.040 0.000 0.858 117 R HN 0.494 nan 8.270 nan 0.000 0.439 118 L N -0.405 120.794 121.223 -0.039 0.000 2.017 118 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 118 L C 2.569 179.436 176.870 -0.004 0.000 1.073 118 L CA 1.436 56.236 54.840 -0.068 0.000 0.745 118 L CB -0.692 41.279 42.059 -0.147 0.000 0.894 118 L HN 0.412 nan 8.230 nan 0.000 0.432 119 A N -0.733 122.090 122.820 0.005 0.000 1.883 119 A HA -0.315 4.005 4.320 -0.000 0.000 0.217 119 A C 2.187 179.793 177.584 0.036 0.000 1.186 119 A CA 1.827 53.874 52.037 0.016 0.000 0.624 119 A CB -1.033 17.968 19.000 0.003 0.000 0.822 119 A HN 0.497 nan 8.150 nan 0.000 0.444 120 Y N 0.826 121.104 120.300 -0.036 0.000 2.224 120 Y HA -0.205 4.345 4.550 -0.000 0.000 0.289 120 Y C 1.592 177.478 175.900 -0.022 0.000 1.146 120 Y CA 2.012 60.095 58.100 -0.027 0.000 1.182 120 Y CB -0.052 38.391 38.460 -0.028 0.000 0.983 120 Y HN 0.330 nan 8.280 nan 0.000 0.524 121 D N -0.608 119.876 120.400 0.140 0.000 2.348 121 D HA 0.034 4.674 4.640 -0.000 0.000 0.216 121 D C 1.748 178.038 176.300 -0.017 0.000 0.970 121 D CA 1.459 55.500 54.000 0.069 0.000 0.889 121 D CB -0.217 40.625 40.800 0.071 0.000 0.912 121 D HN 0.565 nan 8.370 nan 0.000 0.524 122 G N -0.213 108.566 108.800 -0.034 0.000 2.163 122 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.213 122 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.213 122 G C 0.175 175.074 174.900 -0.001 0.000 0.991 122 G CA -0.159 44.920 45.100 -0.035 0.000 0.653 122 G HN 0.284 nan 8.290 nan 0.000 0.518 123 L N 0.609 121.840 121.223 0.013 0.000 2.379 123 L HA 0.456 4.796 4.340 -0.000 0.000 0.269 123 L C 0.560 177.473 176.870 0.071 0.000 1.084 123 L CA -1.087 53.778 54.840 0.042 0.000 0.802 123 L CB 0.961 43.044 42.059 0.039 0.000 1.175 123 L HN 0.157 nan 8.230 nan 0.000 0.448 124 N N 0.808 119.562 118.700 0.091 0.000 2.430 124 N HA -0.056 4.684 4.740 -0.000 0.000 0.265 124 N C 0.522 176.140 175.510 0.180 0.000 1.100 124 N CA 0.045 53.162 53.050 0.112 0.000 0.961 124 N CB 0.741 39.276 38.487 0.080 0.000 1.075 124 N HN 0.532 nan 8.380 nan 0.000 0.478 125 Y N 5.398 125.734 120.300 0.059 0.000 2.165 125 Y HA -0.205 4.345 4.550 -0.000 0.000 0.286 125 Y C 1.659 177.636 175.900 0.130 0.000 1.155 125 Y CA 1.807 59.963 58.100 0.093 0.000 1.164 125 Y CB -0.117 38.379 38.460 0.059 0.000 0.978 125 Y HN 0.613 nan 8.280 nan 0.000 0.513 126 N N -0.822 117.893 118.700 0.025 0.000 2.084 126 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 126 N C 1.836 177.307 175.510 -0.065 0.000 1.030 126 N CA 2.077 55.081 53.050 -0.077 0.000 0.849 126 N CB -0.824 37.664 38.487 0.001 0.000 1.012 126 N HN 0.336 nan 8.380 nan 0.000 0.423 127 T N 0.765 115.325 114.554 0.009 0.000 2.737 127 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 127 T C 1.698 176.407 174.700 0.016 0.000 1.040 127 T CA 1.077 63.188 62.100 0.017 0.000 1.142 127 T CB -0.380 68.519 68.868 0.052 0.000 0.861 127 T HN 0.277 nan 8.240 nan 0.000 0.456 128 Y N 2.173 122.422 120.300 -0.084 0.000 2.089 128 Y HA -0.136 4.414 4.550 -0.000 0.000 0.282 128 Y C 2.477 178.289 175.900 -0.146 0.000 1.139 128 Y CA 1.339 59.388 58.100 -0.086 0.000 1.123 128 Y CB -0.290 38.142 38.460 -0.046 0.000 0.980 128 Y HN 0.058 nan 8.280 nan 0.000 0.493 129 R N 0.062 120.403 120.500 -0.265 0.000 2.119 129 R HA -0.264 4.076 4.340 -0.000 0.000 0.246 129 R C 2.208 178.365 176.300 -0.239 0.000 1.146 129 R CA 1.544 57.454 56.100 -0.315 0.000 0.962 129 R CB -0.868 29.221 30.300 -0.353 0.000 0.863 129 R HN 0.457 nan 8.270 nan 0.000 0.442 130 N N 0.568 119.161 118.700 -0.178 0.000 2.149 130 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 130 N C 1.587 177.013 175.510 -0.141 0.000 1.019 130 N CA 1.334 54.310 53.050 -0.124 0.000 0.857 130 N CB 0.172 38.611 38.487 -0.080 0.000 0.997 130 N HN 0.275 nan 8.380 nan 0.000 0.426 131 Q N 0.553 120.234 119.800 -0.198 0.000 2.083 131 Q HA 0.001 4.341 4.340 -0.000 0.000 0.198 131 Q C 2.184 178.046 176.000 -0.230 0.000 0.969 131 Q CA 0.478 56.161 55.803 -0.201 0.000 0.838 131 Q CB -0.310 28.284 28.738 -0.239 0.000 0.900 131 Q HN 0.433 nan 8.270 nan 0.000 0.436 132 I N 0.613 120.980 120.570 -0.339 0.000 2.286 132 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 132 I C 2.435 178.465 176.117 -0.145 0.000 1.115 132 I CA 1.081 62.225 61.300 -0.260 0.000 1.392 132 I CB -0.776 37.046 38.000 -0.297 0.000 1.065 132 I HN 0.252 nan 8.210 nan 0.000 0.418 133 R N 1.402 121.821 120.500 -0.134 0.000 2.082 133 R HA -0.208 4.132 4.340 -0.000 0.000 0.234 133 R C 2.300 178.564 176.300 -0.060 0.000 1.136 133 R CA 1.809 57.860 56.100 -0.081 0.000 0.935 133 R CB -0.088 30.168 30.300 -0.074 0.000 0.842 133 R HN 0.264 nan 8.270 nan 0.000 0.430 134 K N 0.041 120.403 120.400 -0.064 0.000 2.173 134 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 134 K C 2.026 178.608 176.600 -0.030 0.000 1.046 134 K CA 1.549 57.812 56.287 -0.041 0.000 0.929 134 K CB -0.045 32.429 32.500 -0.044 0.000 0.720 134 K HN 0.220 nan 8.250 nan 0.000 0.453 135 E N 0.443 120.615 120.200 -0.046 0.000 2.106 135 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 135 E C 1.993 178.587 176.600 -0.010 0.000 0.984 135 E CA 1.125 57.508 56.400 -0.028 0.000 0.806 135 E CB -0.031 29.641 29.700 -0.047 0.000 0.750 135 E HN 0.391 nan 8.360 nan 0.000 0.458 136 M N 0.362 119.950 119.600 -0.020 0.000 2.156 136 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 136 M C 2.521 178.825 176.300 0.007 0.000 1.067 136 M CA 1.034 56.329 55.300 -0.007 0.000 1.131 136 M CB -0.436 32.154 32.600 -0.017 0.000 1.368 136 M HN 0.121 nan 8.290 nan 0.000 0.416 137 I N -1.333 119.241 120.570 0.005 0.000 2.315 137 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 137 I C 2.075 178.216 176.117 0.040 0.000 1.117 137 I CA 1.456 62.767 61.300 0.018 0.000 1.404 137 I CB -0.476 37.533 38.000 0.014 0.000 1.071 137 I HN 0.176 nan 8.210 nan 0.000 0.419 138 I N 1.008 121.604 120.570 0.043 0.000 2.226 138 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 138 I C 2.895 179.067 176.117 0.093 0.000 1.100 138 I CA 1.673 63.017 61.300 0.074 0.000 1.374 138 I CB -0.372 37.664 38.000 0.060 0.000 1.057 138 I HN 0.367 nan 8.210 nan 0.000 0.413 139 S N 0.198 115.937 115.700 0.066 0.000 2.356 139 S HA -0.249 4.221 4.470 -0.000 0.000 0.223 139 S C 1.950 176.588 174.600 0.064 0.000 1.032 139 S CA 1.717 59.959 58.200 0.070 0.000 1.005 139 S CB -0.165 63.061 63.200 0.043 0.000 0.867 139 S HN 0.385 nan 8.310 nan 0.000 0.449 140 E N -0.111 120.114 120.200 0.042 0.000 2.007 140 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 140 E C 2.089 178.704 176.600 0.025 0.000 0.999 140 E CA 1.620 58.036 56.400 0.027 0.000 0.811 140 E CB -0.232 29.478 29.700 0.017 0.000 0.762 140 E HN 0.346 nan 8.360 nan 0.000 0.450 141 V N 1.160 121.101 119.914 0.044 0.000 2.233 141 V HA -0.376 3.744 4.120 -0.000 0.000 0.252 141 V C 2.539 178.623 176.094 -0.016 0.000 1.063 141 V CA 2.506 64.836 62.300 0.049 0.000 1.032 141 V CB -0.681 31.220 31.823 0.130 0.000 0.645 141 V HN 0.322 nan 8.190 nan 0.000 0.446 142 R N 0.099 120.648 120.500 0.081 0.000 2.094 142 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 142 R C 2.281 178.474 176.300 -0.177 0.000 1.137 142 R CA 2.320 58.419 56.100 -0.001 0.000 0.943 142 R CB -0.391 30.086 30.300 0.295 0.000 0.850 142 R HN 0.609 nan 8.270 nan 0.000 0.433 143 N N 0.595 119.319 118.700 0.040 0.000 2.025 143 N HA -0.211 4.529 4.740 -0.000 0.000 0.194 143 N C 1.531 177.044 175.510 0.005 0.000 1.044 143 N CA 1.794 54.935 53.050 0.152 0.000 0.851 143 N CB -0.856 37.697 38.487 0.110 0.000 1.036 143 N HN 0.302 nan 8.380 nan 0.000 0.422 144 N N 1.069 119.731 118.700 -0.062 0.000 2.018 144 N HA -0.175 4.565 4.740 -0.000 0.000 0.196 144 N C 1.404 176.789 175.510 -0.209 0.000 1.043 144 N CA 1.385 54.379 53.050 -0.094 0.000 0.856 144 N CB -0.017 38.428 38.487 -0.070 0.000 1.042 144 N HN 0.137 nan 8.380 nan 0.000 0.423 145 E N -0.096 119.873 120.200 -0.384 0.000 2.085 145 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 145 E C 2.164 178.327 176.600 -0.729 0.000 0.994 145 E CA 0.794 56.822 56.400 -0.620 0.000 0.801 145 E CB -0.643 28.421 29.700 -1.060 0.000 0.743 145 E HN 0.269 nan 8.360 nan 0.000 0.453 146 V N 1.354 120.795 119.914 -0.789 0.000 2.237 146 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 146 V C 2.429 178.299 176.094 -0.373 0.000 1.046 146 V CA 1.983 63.883 62.300 -0.667 0.000 1.007 146 V CB -0.506 30.790 31.823 -0.879 0.000 0.638 146 V HN 0.205 nan 8.190 nan 0.000 0.445 147 R N -0.245 120.162 120.500 -0.156 0.000 2.113 147 R HA -0.200 4.140 4.340 -0.000 0.000 0.244 147 R C 2.516 178.769 176.300 -0.078 0.000 1.142 147 R CA 1.583 57.675 56.100 -0.015 0.000 0.953 147 R CB -0.494 29.847 30.300 0.069 0.000 0.860 147 R HN 0.389 nan 8.270 nan 0.000 0.438 148 R N 0.716 121.144 120.500 -0.120 0.000 2.103 148 R HA -0.136 4.204 4.340 -0.000 0.000 0.242 148 R C 1.986 178.227 176.300 -0.098 0.000 1.142 148 R CA 1.490 57.529 56.100 -0.102 0.000 0.960 148 R CB -0.384 29.844 30.300 -0.120 0.000 0.858 148 R HN 0.372 nan 8.270 nan 0.000 0.439 149 R N 0.204 120.619 120.500 -0.142 0.000 2.310 149 R HA 0.209 4.549 4.340 -0.000 0.000 0.202 149 R C 0.663 176.914 176.300 -0.081 0.000 0.933 149 R CA -0.002 56.036 56.100 -0.102 0.000 1.054 149 R CB 0.054 30.290 30.300 -0.108 0.000 0.985 149 R HN 0.168 nan 8.270 nan 0.000 0.489 150 I N 1.333 121.854 120.570 -0.081 0.000 2.556 150 I HA -0.026 4.144 4.170 -0.000 0.000 0.284 150 I C 0.544 176.644 176.117 -0.027 0.000 1.114 150 I CA 0.707 61.977 61.300 -0.050 0.000 1.418 150 I CB 1.097 39.085 38.000 -0.020 0.000 1.394 150 I HN -0.136 nan 8.210 nan 0.000 0.552 151 T N 7.103 121.645 114.554 -0.020 0.000 2.887 151 T HA 0.621 4.971 4.350 -0.000 0.000 0.288 151 T C -0.424 174.272 174.700 -0.007 0.000 1.021 151 T CA -0.536 61.556 62.100 -0.014 0.000 1.000 151 T CB 1.047 69.907 68.868 -0.014 0.000 1.034 151 T HN 0.279 nan 8.240 nan 0.000 0.467 152 I N 4.619 125.185 120.570 -0.006 0.000 2.354 152 I HA 0.341 4.511 4.170 -0.000 0.000 0.286 152 I C -0.003 176.111 176.117 -0.004 0.000 1.007 152 I CA -0.715 60.583 61.300 -0.003 0.000 1.167 152 I CB 1.297 39.294 38.000 -0.005 0.000 1.320 152 I HN 0.410 nan 8.210 nan 0.000 0.458 153 L N 7.658 128.880 121.223 -0.002 0.000 2.483 153 L HA 0.165 4.505 4.340 -0.000 0.000 0.276 153 L C -2.008 174.861 176.870 -0.002 0.000 1.213 153 L CA -1.445 53.393 54.840 -0.003 0.000 0.843 153 L CB -0.047 42.011 42.059 -0.002 0.000 1.107 153 L HN 0.254 nan 8.230 nan 0.000 0.487 154 P HA -0.030 nan 4.420 nan 0.000 0.261 154 P C -0.213 177.086 177.300 -0.001 0.000 1.183 154 P CA 0.308 63.405 63.100 -0.004 0.000 0.761 154 P CB 0.555 32.253 31.700 -0.004 0.000 0.785 155 Q N 1.002 120.801 119.800 -0.002 0.000 2.282 155 Q HA -0.277 4.063 4.340 -0.000 0.000 0.182 155 Q C 1.360 177.366 176.000 0.009 0.000 0.609 155 Q CA 1.859 57.663 55.803 0.002 0.000 1.397 155 Q CB -1.828 26.912 28.738 0.003 0.000 1.458 155 Q HN 0.737 nan 8.270 nan 0.000 0.852 156 E N 0.313 120.519 120.200 0.010 0.000 2.049 156 E HA -0.175 4.175 4.350 -0.000 0.000 0.198 156 E C 1.695 178.318 176.600 0.039 0.000 1.007 156 E CA 2.149 58.561 56.400 0.019 0.000 0.809 156 E CB -0.018 29.691 29.700 0.015 0.000 0.749 156 E HN 0.285 nan 8.360 nan 0.000 0.450 157 V N 0.763 120.699 119.914 0.037 0.000 2.307 157 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 157 V C 2.101 178.247 176.094 0.087 0.000 1.045 157 V CA 2.243 64.584 62.300 0.069 0.000 1.024 157 V CB -0.570 31.245 31.823 -0.014 0.000 0.651 157 V HN 0.278 nan 8.190 nan 0.000 0.449 158 E N 0.170 120.390 120.200 0.034 0.000 2.049 158 E HA -0.227 4.123 4.350 -0.000 0.000 0.198 158 E C 2.394 179.028 176.600 0.057 0.000 1.007 158 E CA 1.693 58.115 56.400 0.038 0.000 0.809 158 E CB -0.642 29.065 29.700 0.012 0.000 0.749 158 E HN 0.442 nan 8.360 nan 0.000 0.450 159 S N -0.311 115.414 115.700 0.042 0.000 2.420 159 S HA -0.165 4.305 4.470 -0.000 0.000 0.237 159 S C 1.722 176.348 174.600 0.044 0.000 1.023 159 S CA 1.022 59.243 58.200 0.035 0.000 0.991 159 S CB -0.190 63.024 63.200 0.023 0.000 0.792 159 S HN 0.226 nan 8.310 nan 0.000 0.488 160 L N 1.655 122.923 121.223 0.074 0.000 2.034 160 L HA 0.280 4.620 4.340 -0.000 0.000 0.203 160 L C 2.462 179.378 176.870 0.076 0.000 1.074 160 L CA 2.056 56.939 54.840 0.072 0.000 0.748 160 L CB -1.315 40.816 42.059 0.121 0.000 0.905 160 L HN 0.227 nan 8.230 nan 0.000 0.439 161 A N -0.891 122.036 122.820 0.179 0.000 2.093 161 A HA -0.317 4.003 4.320 -0.000 0.000 0.222 161 A C 2.229 179.861 177.584 0.079 0.000 1.162 161 A CA 2.065 54.215 52.037 0.187 0.000 0.655 161 A CB -0.706 18.452 19.000 0.262 0.000 0.805 161 A HN 0.676 nan 8.150 nan 0.000 0.461 162 Q N 0.055 119.888 119.800 0.055 0.000 2.062 162 Q HA -0.071 4.269 4.340 -0.000 0.000 0.196 162 Q C 1.517 177.525 176.000 0.012 0.000 0.967 162 Q CA 1.416 57.236 55.803 0.029 0.000 0.832 162 Q CB -0.211 28.541 28.738 0.024 0.000 0.899 162 Q HN 0.856 nan 8.270 nan 0.000 0.442 173 E N 2.334 122.593 120.200 0.099 0.000 2.467 173 E HA 0.278 4.628 4.350 -0.000 0.000 0.264 173 E C -0.105 176.687 176.600 0.321 0.000 1.020 173 E CA 0.052 56.567 56.400 0.191 0.000 0.945 173 E CB 0.903 30.701 29.700 0.164 0.000 0.942 173 E HN 0.655 nan 8.360 nan 0.000 0.449 174 L N 2.106 123.515 121.223 0.310 0.000 2.422 174 L HA 0.340 4.680 4.340 -0.000 0.000 0.264 174 L C -0.090 176.720 176.870 -0.100 0.000 0.984 174 L CA -0.550 54.379 54.840 0.148 0.000 0.819 174 L CB 2.076 44.154 42.059 0.032 0.000 1.330 174 L HN 0.458 nan 8.230 nan 0.000 0.410 175 N N 3.962 122.315 118.700 -0.579 0.000 2.407 175 N HA 0.759 5.499 4.740 -0.000 0.000 0.277 175 N C -1.505 173.711 175.510 -0.490 0.000 0.995 175 N CA -0.598 51.913 53.050 -0.898 0.000 0.903 175 N CB 1.141 38.460 38.487 -1.948 0.000 1.218 175 N HN 0.507 nan 8.380 nan 0.000 0.487 176 L N -0.068 120.963 121.223 -0.321 0.000 2.465 176 L HA 0.689 5.029 4.340 -0.000 0.000 0.257 176 L C -0.953 175.845 176.870 -0.120 0.000 0.988 176 L CA -0.946 53.760 54.840 -0.223 0.000 0.827 176 L CB 1.855 43.802 42.059 -0.186 0.000 1.397 176 L HN 0.287 nan 8.230 nan 0.000 0.410 177 S N -0.530 115.118 115.700 -0.087 0.000 2.608 177 S HA 0.633 5.103 4.470 -0.000 0.000 0.291 177 S C -1.117 173.648 174.600 0.275 0.000 1.146 177 S CA -0.330 57.937 58.200 0.111 0.000 1.043 177 S CB 1.007 64.341 63.200 0.222 0.000 1.037 177 S HN 0.797 nan 8.310 nan 0.000 0.520 178 H N 0.697 119.905 119.070 0.230 0.000 2.768 178 H HA 0.704 5.260 4.556 -0.000 0.000 0.371 178 H C -1.400 174.057 175.328 0.214 0.000 1.151 178 H CA -0.716 55.466 56.048 0.224 0.000 1.165 178 H CB 0.672 30.517 29.762 0.139 0.000 1.722 178 H HN 0.501 nan 8.280 nan 0.000 0.543 179 I N 4.935 125.293 120.570 -0.354 0.000 2.534 179 I HA 0.226 4.396 4.170 -0.000 0.000 0.288 179 I C -1.408 174.438 176.117 -0.451 0.000 1.077 179 I CA -0.931 60.138 61.300 -0.385 0.000 1.051 179 I CB 2.125 39.964 38.000 -0.268 0.000 1.234 179 I HN 0.410 nan 8.210 nan 0.000 0.425 180 L N 7.882 128.895 121.223 -0.351 0.000 2.325 180 L HA 0.585 4.925 4.340 -0.000 0.000 0.281 180 L C -1.110 175.710 176.870 -0.083 0.000 1.004 180 L CA -0.275 54.453 54.840 -0.186 0.000 0.823 180 L CB 1.200 43.211 42.059 -0.081 0.000 1.236 180 L HN 0.336 nan 8.230 nan 0.000 0.415 181 I N 7.741 128.289 120.570 -0.036 0.000 2.307 181 I HA 0.332 4.502 4.170 -0.000 0.000 0.287 181 I C -2.050 174.090 176.117 0.039 0.000 1.054 181 I CA -2.255 59.059 61.300 0.024 0.000 1.218 181 I CB 0.718 38.750 38.000 0.053 0.000 1.398 181 I HN 0.476 nan 8.210 nan 0.000 0.475 182 P HA 0.183 nan 4.420 nan 0.000 0.268 182 P C -0.780 176.535 177.300 0.025 0.000 1.208 182 P CA -0.047 63.056 63.100 0.006 0.000 0.777 182 P CB 1.709 33.414 31.700 0.007 0.000 0.875 183 L N 2.703 123.925 121.223 -0.001 0.000 2.513 183 L HA 0.379 4.719 4.340 -0.000 0.000 0.261 183 L C -2.416 174.447 176.870 -0.011 0.000 0.945 183 L CA -2.382 52.459 54.840 0.002 0.000 0.848 183 L CB 3.014 45.059 42.059 -0.023 0.000 1.334 183 L HN 0.235 nan 8.230 nan 0.000 0.407 184 P HA 0.030 nan 4.420 nan 0.000 0.271 184 P C 0.212 177.506 177.300 -0.010 0.000 1.244 184 P CA -0.172 62.924 63.100 -0.006 0.000 0.793 184 P CB 0.490 32.189 31.700 -0.001 0.000 0.984 185 E N 1.494 121.690 120.200 -0.007 0.000 2.070 185 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 185 E C -0.191 176.404 176.600 -0.009 0.000 1.004 185 E CA 1.683 58.079 56.400 -0.007 0.000 0.805 185 E CB -0.799 28.901 29.700 0.000 0.000 0.744 185 E HN 0.390 nan 8.360 nan 0.000 0.451 186 N N 2.522 121.220 118.700 -0.004 0.000 2.746 186 N HA 0.296 5.036 4.740 -0.000 0.000 0.250 186 N C -2.379 173.132 175.510 0.001 0.000 1.146 186 N CA -0.963 52.085 53.050 -0.002 0.000 0.828 186 N CB 1.961 40.448 38.487 0.000 0.000 1.158 186 N HN 0.244 nan 8.380 nan 0.000 0.519 187 P HA 0.270 nan 4.420 nan 0.000 0.282 187 P C -0.054 177.256 177.300 0.016 0.000 1.287 187 P CA -0.124 62.983 63.100 0.011 0.000 0.792 187 P CB 0.856 32.565 31.700 0.015 0.000 1.163 188 T N -4.099 110.467 114.554 0.021 0.000 2.952 188 T HA 0.276 4.626 4.350 -0.000 0.000 0.286 188 T C 1.343 176.062 174.700 0.031 0.000 1.024 188 T CA -0.514 61.599 62.100 0.021 0.000 1.029 188 T CB 0.433 69.311 68.868 0.017 0.000 1.094 188 T HN 0.237 nan 8.240 nan 0.000 0.515 189 S N 0.953 116.670 115.700 0.028 0.000 2.365 189 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 189 S C 1.660 176.282 174.600 0.036 0.000 1.039 189 S CA 1.650 59.871 58.200 0.035 0.000 1.033 189 S CB -0.616 62.600 63.200 0.026 0.000 0.887 189 S HN 0.791 nan 8.310 nan 0.000 0.447 190 D N 1.242 121.658 120.400 0.026 0.000 2.087 190 D HA -0.148 4.492 4.640 -0.000 0.000 0.192 190 D C 2.201 178.519 176.300 0.030 0.000 0.993 190 D CA 1.222 55.236 54.000 0.022 0.000 0.828 190 D CB -0.437 40.371 40.800 0.015 0.000 0.968 190 D HN 0.492 nan 8.370 nan 0.000 0.448 191 Q N 0.280 120.101 119.800 0.035 0.000 2.096 191 Q HA -0.122 4.218 4.340 -0.000 0.000 0.204 191 Q C 2.481 178.531 176.000 0.083 0.000 0.982 191 Q CA 0.980 56.811 55.803 0.047 0.000 0.850 191 Q CB 0.002 28.764 28.738 0.040 0.000 0.901 191 Q HN 0.151 nan 8.270 nan 0.000 0.422 192 V N 1.087 121.061 119.914 0.100 0.000 2.427 192 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 192 V C 1.564 177.761 176.094 0.172 0.000 1.051 192 V CA 1.892 64.302 62.300 0.184 0.000 1.048 192 V CB -0.635 31.280 31.823 0.154 0.000 0.666 192 V HN 0.399 nan 8.190 nan 0.000 0.456 193 N N -0.414 118.332 118.700 0.077 0.000 2.171 193 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 193 N C 2.013 177.509 175.510 -0.024 0.000 1.021 193 N CA 0.809 53.870 53.050 0.019 0.000 0.854 193 N CB -0.068 38.425 38.487 0.010 0.000 0.994 193 N HN 0.332 nan 8.380 nan 0.000 0.426 194 E N 1.489 121.688 120.200 -0.002 0.000 2.058 194 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 194 E C 1.885 178.460 176.600 -0.041 0.000 0.997 194 E CA 1.102 57.490 56.400 -0.019 0.000 0.801 194 E CB -0.231 29.470 29.700 0.002 0.000 0.746 194 E HN 0.338 nan 8.360 nan 0.000 0.450 195 A N 0.961 123.788 122.820 0.012 0.000 1.858 195 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 195 A C 2.204 179.610 177.584 -0.296 0.000 1.190 195 A CA 1.962 54.016 52.037 0.029 0.000 0.617 195 A CB -0.674 18.515 19.000 0.314 0.000 0.827 195 A HN 0.382 nan 8.150 nan 0.000 0.443 196 E N -0.417 119.471 120.200 -0.520 0.000 2.077 196 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 196 E C 2.188 178.492 176.600 -0.493 0.000 0.989 196 E CA 1.381 57.182 56.400 -0.997 0.000 0.800 196 E CB -0.194 29.132 29.700 -0.623 0.000 0.746 196 E HN 0.557 nan 8.360 nan 0.000 0.452 197 S N -0.016 115.522 115.700 -0.270 0.000 2.343 197 S HA -0.291 4.179 4.470 -0.000 0.000 0.219 197 S C 2.115 176.605 174.600 -0.183 0.000 1.033 197 S CA 1.824 59.916 58.200 -0.180 0.000 1.014 197 S CB -0.371 62.761 63.200 -0.112 0.000 0.915 197 S HN 0.451 nan 8.310 nan 0.000 0.435 198 Q N 0.215 119.913 119.800 -0.170 0.000 2.077 198 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 198 Q C 2.241 178.119 176.000 -0.203 0.000 0.989 198 Q CA 1.741 57.446 55.803 -0.164 0.000 0.853 198 Q CB -0.551 28.115 28.738 -0.120 0.000 0.907 198 Q HN 0.682 nan 8.270 nan 0.000 0.418 199 A N 1.037 123.716 122.820 -0.235 0.000 1.865 199 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 199 A C 2.058 179.534 177.584 -0.181 0.000 1.191 199 A CA 1.675 53.586 52.037 -0.210 0.000 0.623 199 A CB -0.648 18.191 19.000 -0.268 0.000 0.826 199 A HN 0.404 nan 8.150 nan 0.000 0.444 200 R N -0.613 119.763 120.500 -0.207 0.000 2.113 200 R HA -0.211 4.129 4.340 -0.000 0.000 0.244 200 R C 2.489 178.723 176.300 -0.111 0.000 1.142 200 R CA 1.453 57.469 56.100 -0.140 0.000 0.953 200 R CB -0.641 29.574 30.300 -0.142 0.000 0.860 200 R HN 0.545 nan 8.270 nan 0.000 0.438 201 A N 1.216 123.958 122.820 -0.130 0.000 1.917 201 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 201 A C 2.181 179.691 177.584 -0.124 0.000 1.182 201 A CA 1.568 53.533 52.037 -0.119 0.000 0.633 201 A CB -0.577 18.341 19.000 -0.136 0.000 0.819 201 A HN 0.240 nan 8.150 nan 0.000 0.448 202 I N -0.591 119.880 120.570 -0.165 0.000 2.252 202 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 202 I C 2.252 178.330 176.117 -0.064 0.000 1.102 202 I CA 1.004 62.203 61.300 -0.168 0.000 1.385 202 I CB -0.309 37.545 38.000 -0.243 0.000 1.064 202 I HN 0.144 nan 8.210 nan 0.000 0.414 203 V N 0.496 120.390 119.914 -0.033 0.000 2.594 203 V HA -0.292 3.828 4.120 -0.000 0.000 0.253 203 V C 2.170 178.273 176.094 0.016 0.000 1.069 203 V CA 1.776 64.093 62.300 0.028 0.000 1.082 203 V CB -0.650 31.185 31.823 0.020 0.000 0.680 203 V HN 0.477 nan 8.190 nan 0.000 0.469 204 D N -0.091 120.299 120.400 -0.017 0.000 2.075 204 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 204 D C 2.263 178.561 176.300 -0.003 0.000 0.985 204 D CA 1.598 55.589 54.000 -0.015 0.000 0.834 204 D CB -0.005 40.776 40.800 -0.031 0.000 0.987 204 D HN 0.520 nan 8.370 nan 0.000 0.452 205 Q N 0.424 120.216 119.800 -0.015 0.000 2.217 205 Q HA -0.184 4.156 4.340 -0.000 0.000 0.209 205 Q C 2.169 178.188 176.000 0.032 0.000 0.988 205 Q CA 1.523 57.325 55.803 -0.002 0.000 0.878 205 Q CB -0.168 28.556 28.738 -0.023 0.000 0.909 205 Q HN 0.255 nan 8.270 nan 0.000 0.424 206 A N 1.435 124.292 122.820 0.062 0.000 1.883 206 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 206 A C 1.987 179.625 177.584 0.090 0.000 1.186 206 A CA 1.486 53.612 52.037 0.148 0.000 0.624 206 A CB -0.364 18.790 19.000 0.256 0.000 0.822 206 A HN 0.237 nan 8.150 nan 0.000 0.444 207 R N -0.352 120.178 120.500 0.051 0.000 2.236 207 R HA 0.044 4.384 4.340 -0.000 0.000 0.208 207 R C 0.430 176.740 176.300 0.017 0.000 1.036 207 R CA 0.727 56.842 56.100 0.024 0.000 1.001 207 R CB -0.119 30.189 30.300 0.013 0.000 0.896 207 R HN 0.413 nan 8.270 nan 0.000 0.464 208 N N 0.289 119.000 118.700 0.019 0.000 2.362 208 N HA 0.040 4.780 4.740 -0.000 0.000 0.211 208 N C 0.634 176.154 175.510 0.018 0.000 1.170 208 N CA 0.770 53.828 53.050 0.013 0.000 0.828 208 N CB 1.233 39.724 38.487 0.007 0.000 1.034 208 N HN 0.403 nan 8.380 nan 0.000 0.475 209 G N 0.069 108.884 108.800 0.026 0.000 2.176 209 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.253 209 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.253 209 G C 0.413 175.338 174.900 0.041 0.000 0.979 209 G CA 0.175 45.293 45.100 0.029 0.000 0.641 209 G HN 0.618 nan 8.290 nan 0.000 0.530 210 A N 0.245 123.093 122.820 0.047 0.000 2.507 210 A HA 0.397 4.717 4.320 -0.000 0.000 0.235 210 A C 0.652 178.282 177.584 0.077 0.000 1.070 210 A CA 0.693 52.759 52.037 0.049 0.000 0.768 210 A CB 0.202 19.224 19.000 0.036 0.000 1.011 210 A HN 0.514 nan 8.150 nan 0.000 0.502 211 D N 1.347 121.784 120.400 0.062 0.000 2.363 211 D HA -0.005 4.635 4.640 -0.000 0.000 0.263 211 D C 0.571 176.935 176.300 0.108 0.000 1.258 211 D CA 0.135 54.183 54.000 0.080 0.000 0.907 211 D CB 0.104 40.933 40.800 0.048 0.000 1.107 211 D HN 0.475 nan 8.370 nan 0.000 0.495 212 F N 3.718 123.668 119.950 -0.001 0.000 2.134 212 F HA -0.024 4.503 4.527 -0.000 0.000 0.299 212 F C 2.289 178.092 175.800 0.005 0.000 1.097 212 F CA 1.853 59.852 58.000 -0.001 0.000 1.264 212 F CB -0.174 38.819 39.000 -0.012 0.000 1.001 212 F HN 0.525 nan 8.300 nan 0.000 0.479 213 G N -0.373 108.524 108.800 0.162 0.000 2.422 213 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 213 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 213 G C 1.737 176.630 174.900 -0.011 0.000 1.146 213 G CA 0.922 46.065 45.100 0.071 0.000 0.769 213 G HN 0.349 nan 8.290 nan 0.000 0.547 214 K N -0.060 120.335 120.400 -0.007 0.000 2.001 214 K HA 0.055 4.375 4.320 -0.000 0.000 0.208 214 K C 2.548 179.114 176.600 -0.056 0.000 1.048 214 K CA 0.805 57.078 56.287 -0.024 0.000 0.932 214 K CB -0.290 32.208 32.500 -0.004 0.000 0.715 214 K HN 0.317 nan 8.250 nan 0.000 0.437 215 L N 0.657 121.831 121.223 -0.081 0.000 2.013 215 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 215 L C 2.660 179.472 176.870 -0.096 0.000 1.073 215 L CA 1.455 56.257 54.840 -0.064 0.000 0.753 215 L CB -0.678 41.240 42.059 -0.236 0.000 0.890 215 L HN 0.321 nan 8.230 nan 0.000 0.432 216 A N 0.451 123.125 122.820 -0.243 0.000 1.873 216 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 216 A C 2.196 179.717 177.584 -0.106 0.000 1.193 216 A CA 1.977 53.897 52.037 -0.196 0.000 0.629 216 A CB -0.826 18.083 19.000 -0.152 0.000 0.826 216 A HN 0.405 nan 8.150 nan 0.000 0.447 217 I N -0.518 120.000 120.570 -0.087 0.000 2.361 217 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 217 I C 2.766 178.809 176.117 -0.122 0.000 1.133 217 I CA 1.025 62.279 61.300 -0.078 0.000 1.413 217 I CB -0.272 37.695 38.000 -0.056 0.000 1.073 217 I HN 0.380 nan 8.210 nan 0.000 0.424 218 A N -0.148 122.561 122.820 -0.185 0.000 2.021 218 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 218 A C 1.680 178.896 177.584 -0.613 0.000 1.163 218 A CA 1.259 53.056 52.037 -0.400 0.000 0.676 218 A CB -0.476 18.214 19.000 -0.516 0.000 0.818 218 A HN 0.513 nan 8.150 nan 0.000 0.453 219 H N -2.133 116.890 119.070 -0.078 0.000 3.643 219 H HA 0.265 4.821 4.556 -0.000 0.000 0.256 219 H C 0.864 176.143 175.328 -0.081 0.000 1.107 219 H CA 0.253 56.259 56.048 -0.069 0.000 1.175 219 H CB 0.122 29.829 29.762 -0.092 0.000 1.519 219 H HN 0.312 nan 8.280 nan 0.000 0.565 220 S N 0.581 116.274 115.700 -0.012 0.000 2.568 220 S HA 0.330 4.800 4.470 -0.000 0.000 0.282 220 S C 1.258 175.835 174.600 -0.039 0.000 1.338 220 S CA 0.293 58.456 58.200 -0.062 0.000 1.045 220 S CB 0.700 63.837 63.200 -0.105 0.000 0.873 220 S HN 0.481 nan 8.310 nan 0.000 0.516 221 A N 2.922 125.721 122.820 -0.036 0.000 2.431 221 A HA 0.252 4.572 4.320 -0.000 0.000 0.239 221 A C 0.376 177.964 177.584 0.006 0.000 1.230 221 A CA -0.099 51.928 52.037 -0.017 0.000 0.928 221 A CB -0.202 18.794 19.000 -0.007 0.000 1.006 221 A HN 0.892 nan 8.150 nan 0.000 0.520 222 D N -0.906 119.505 120.400 0.019 0.000 2.371 222 D HA 0.010 4.650 4.640 -0.000 0.000 0.242 222 D C 0.729 177.072 176.300 0.072 0.000 1.218 222 D CA -0.335 53.718 54.000 0.088 0.000 0.945 222 D CB 0.483 41.384 40.800 0.169 0.000 1.137 222 D HN 0.007 nan 8.370 nan 0.000 0.464 223 Q N -0.718 119.143 119.800 0.101 0.000 2.170 223 Q HA -0.137 4.203 4.340 -0.000 0.000 0.203 223 Q C 1.581 177.624 176.000 0.070 0.000 0.976 223 Q CA 1.278 57.130 55.803 0.082 0.000 0.858 223 Q CB -0.053 28.749 28.738 0.107 0.000 0.907 223 Q HN 0.548 nan 8.270 nan 0.000 0.433 224 Q N -0.663 119.191 119.800 0.091 0.000 2.482 224 Q HA 0.098 4.438 4.340 -0.000 0.000 0.209 224 Q C 1.744 177.774 176.000 0.050 0.000 0.961 224 Q CA 0.588 56.438 55.803 0.079 0.000 0.945 224 Q CB -0.156 28.648 28.738 0.111 0.000 1.012 224 Q HN 0.291 nan 8.270 nan 0.000 0.515 225 A N 1.454 124.292 122.820 0.029 0.000 1.870 225 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 225 A C 2.018 179.597 177.584 -0.009 0.000 1.224 225 A CA 1.487 53.520 52.037 -0.006 0.000 0.650 225 A CB -0.985 17.999 19.000 -0.025 0.000 0.836 225 A HN 0.409 nan 8.150 nan 0.000 0.454 226 L N -0.232 120.985 121.223 -0.009 0.000 2.447 226 L HA -0.131 4.209 4.340 -0.000 0.000 0.225 226 L C 1.290 178.162 176.870 0.004 0.000 1.148 226 L CA 0.813 55.647 54.840 -0.011 0.000 0.808 226 L CB -0.489 41.562 42.059 -0.012 0.000 0.928 226 L HN 0.461 nan 8.230 nan 0.000 0.448 227 N N -0.007 118.703 118.700 0.017 0.000 2.635 227 N HA 0.095 4.835 4.740 -0.000 0.000 0.307 227 N C 1.029 176.560 175.510 0.034 0.000 1.433 227 N CA 0.659 53.726 53.050 0.027 0.000 0.973 227 N CB 0.569 39.078 38.487 0.037 0.000 1.304 227 N HN 0.250 nan 8.380 nan 0.000 0.507 228 G N 0.281 109.096 108.800 0.025 0.000 2.205 228 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.269 228 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.269 228 G C 0.885 175.825 174.900 0.067 0.000 0.977 228 G CA 0.499 45.622 45.100 0.038 0.000 0.652 228 G HN 1.090 nan 8.290 nan 0.000 0.539 229 G N -1.289 107.549 108.800 0.063 0.000 2.160 229 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.251 229 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.251 229 G C 0.178 175.163 174.900 0.141 0.000 1.008 229 G CA 0.941 46.102 45.100 0.101 0.000 0.724 229 G HN 1.182 nan 8.290 nan 0.000 0.514 230 Q N -0.864 118.993 119.800 0.095 0.000 2.296 230 Q HA 0.582 4.922 4.340 -0.000 0.000 0.262 230 Q C 1.481 177.516 176.000 0.058 0.000 0.981 230 Q CA 0.115 55.955 55.803 0.061 0.000 0.905 230 Q CB 0.694 29.452 28.738 0.033 0.000 1.186 230 Q HN 0.554 nan 8.270 nan 0.000 0.399 231 M N 1.033 120.651 119.600 0.031 0.000 2.491 231 M HA 0.200 4.680 4.480 -0.000 0.000 0.259 231 M C 0.872 177.167 176.300 -0.007 0.000 1.163 231 M CA 0.469 55.787 55.300 0.031 0.000 1.109 231 M CB 0.616 33.234 32.600 0.030 0.000 1.353 231 M HN 0.933 nan 8.290 nan 0.000 0.500 232 G N 0.672 109.424 108.800 -0.081 0.000 2.632 232 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.224 232 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.224 232 G C -1.337 173.432 174.900 -0.218 0.000 1.341 232 G CA -0.785 44.236 45.100 -0.131 0.000 0.880 232 G HN 0.397 nan 8.290 nan 0.000 0.566 233 W N 0.494 121.803 121.300 0.015 0.000 2.251 233 W HA 0.579 5.239 4.660 -0.000 0.000 0.329 233 W C 0.824 177.348 176.519 0.009 0.000 1.234 233 W CA 1.000 58.350 57.345 0.008 0.000 1.228 233 W CB 1.609 31.072 29.460 0.005 0.000 1.135 233 W HN 1.274 nan 8.180 nan 0.000 0.576 234 G N 1.329 110.280 108.800 0.252 0.000 2.579 234 G HA2 0.454 4.414 3.960 -0.000 0.000 0.292 234 G HA3 0.454 4.414 3.960 -0.000 0.000 0.292 234 G C -1.514 173.461 174.900 0.126 0.000 1.484 234 G CA -1.392 43.797 45.100 0.148 0.000 0.813 234 G HN 0.378 nan 8.290 nan 0.000 0.515 235 R N 0.250 120.800 120.500 0.084 0.000 2.594 235 R HA 0.275 4.615 4.340 -0.000 0.000 0.272 235 R C 1.183 177.514 176.300 0.052 0.000 1.074 235 R CA -0.465 55.673 56.100 0.063 0.000 1.105 235 R CB 1.266 31.588 30.300 0.036 0.000 1.008 235 R HN 0.472 nan 8.270 nan 0.000 0.472 236 I N 1.710 122.308 120.570 0.046 0.000 2.614 236 I HA -0.273 3.897 4.170 -0.000 0.000 0.258 236 I C 1.960 178.095 176.117 0.029 0.000 1.189 236 I CA 1.309 62.633 61.300 0.040 0.000 1.462 236 I CB -0.214 37.807 38.000 0.035 0.000 1.092 236 I HN 0.616 nan 8.210 nan 0.000 0.442 237 Q N 0.740 120.551 119.800 0.017 0.000 2.172 237 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 237 Q C 1.415 177.412 176.000 -0.005 0.000 0.964 237 Q CA 0.958 56.761 55.803 0.000 0.000 0.855 237 Q CB -0.012 28.721 28.738 -0.010 0.000 0.918 237 Q HN 0.540 nan 8.270 nan 0.000 0.444 238 E N 0.276 120.480 120.200 0.006 0.000 2.485 238 E HA 0.033 4.383 4.350 -0.000 0.000 0.194 238 E C -0.175 176.427 176.600 0.004 0.000 1.098 238 E CA 0.063 56.465 56.400 0.003 0.000 0.878 238 E CB 0.174 29.882 29.700 0.014 0.000 0.939 238 E HN 0.259 nan 8.360 nan 0.000 0.503 239 L N 0.926 122.154 121.223 0.008 0.000 2.334 239 L HA 0.390 4.730 4.340 -0.000 0.000 0.272 239 L C -2.212 174.618 176.870 -0.066 0.000 1.020 239 L CA -2.570 52.275 54.840 0.010 0.000 0.812 239 L CB 1.060 43.177 42.059 0.097 0.000 1.264 239 L HN -0.269 nan 8.230 nan 0.000 0.439 240 P HA -0.045 nan 4.420 nan 0.000 0.266 240 P C 0.615 177.752 177.300 -0.273 0.000 1.193 240 P CA 0.272 63.173 63.100 -0.331 0.000 0.770 240 P CB 0.662 31.956 31.700 -0.678 0.000 0.836 241 G N 2.772 111.457 108.800 -0.191 0.000 2.432 241 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 241 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 241 G C 1.161 176.006 174.900 -0.090 0.000 1.135 241 G CA 0.601 45.637 45.100 -0.107 0.000 0.767 241 G HN 0.703 nan 8.290 nan 0.000 0.550 242 I N -3.486 116.970 120.570 -0.190 0.000 3.241 242 I HA 0.142 4.312 4.170 -0.000 0.000 0.280 242 I C 1.881 178.100 176.117 0.169 0.000 1.320 242 I CA 0.894 62.147 61.300 -0.078 0.000 1.413 242 I CB -0.320 37.596 38.000 -0.140 0.000 1.060 242 I HN 0.180 nan 8.210 nan 0.000 0.500 243 F N 0.942 120.863 119.950 -0.048 0.000 2.490 243 F HA 0.318 4.845 4.527 -0.000 0.000 0.280 243 F C 2.819 178.602 175.800 -0.029 0.000 1.030 243 F CA 0.180 58.154 58.000 -0.044 0.000 1.367 243 F CB -0.205 38.747 39.000 -0.080 0.000 1.131 243 F HN 0.055 nan 8.300 nan 0.000 0.632 244 A N 0.710 123.630 122.820 0.167 0.000 1.940 244 A HA -0.378 3.942 4.320 -0.000 0.000 0.221 244 A C 1.965 179.588 177.584 0.065 0.000 1.190 244 A CA 2.530 54.616 52.037 0.082 0.000 0.647 244 A CB -1.009 18.011 19.000 0.034 0.000 0.821 244 A HN 0.441 nan 8.150 nan 0.000 0.457 245 Q N 0.029 119.870 119.800 0.067 0.000 1.975 245 Q HA -0.095 4.245 4.340 -0.000 0.000 0.205 245 Q C 2.059 178.089 176.000 0.049 0.000 0.990 245 Q CA 2.992 58.825 55.803 0.052 0.000 0.845 245 Q CB -0.942 27.828 28.738 0.054 0.000 0.913 245 Q HN 0.575 nan 8.270 nan 0.000 0.420 246 A N 0.017 122.875 122.820 0.063 0.000 2.015 246 A HA 0.004 4.324 4.320 -0.000 0.000 0.219 246 A C 2.054 179.650 177.584 0.020 0.000 1.163 246 A CA 1.096 53.157 52.037 0.040 0.000 0.646 246 A CB -0.557 18.469 19.000 0.043 0.000 0.806 246 A HN 0.465 nan 8.150 nan 0.000 0.448 247 L N 0.750 121.989 121.223 0.027 0.000 2.610 247 L HA -0.054 4.286 4.340 -0.000 0.000 0.232 247 L C 2.412 179.289 176.870 0.013 0.000 1.149 247 L CA 0.836 55.681 54.840 0.009 0.000 0.872 247 L CB -0.207 41.862 42.059 0.017 0.000 0.992 247 L HN 0.614 nan 8.230 nan 0.000 0.447 248 S N -2.687 113.023 115.700 0.018 0.000 2.439 248 S HA -0.062 4.407 4.470 -0.000 0.000 0.224 248 S C 1.695 176.301 174.600 0.010 0.000 1.029 248 S CA 0.723 58.932 58.200 0.015 0.000 0.946 248 S CB -0.079 63.130 63.200 0.016 0.000 0.797 248 S HN 0.262 nan 8.310 nan 0.000 0.504 249 T N 2.239 116.798 114.554 0.008 0.000 3.044 249 T HA 0.492 4.842 4.350 -0.000 0.000 0.250 249 T C 0.781 175.480 174.700 -0.002 0.000 1.081 249 T CA 0.384 62.487 62.100 0.004 0.000 1.040 249 T CB -0.181 68.690 68.868 0.006 0.000 0.962 249 T HN 0.614 nan 8.240 nan 0.000 0.506 250 A N 2.501 125.318 122.820 -0.006 0.000 2.561 250 A HA 0.176 4.496 4.320 -0.000 0.000 0.251 250 A C 0.355 177.929 177.584 -0.017 0.000 1.062 250 A CA 0.463 52.488 52.037 -0.019 0.000 0.761 250 A CB -0.079 18.901 19.000 -0.032 0.000 0.986 250 A HN 0.357 nan 8.150 nan 0.000 0.510 251 K N 2.021 122.408 120.400 -0.022 0.000 2.110 251 K HA 0.250 4.570 4.320 -0.000 0.000 0.263 251 K C 0.220 176.802 176.600 -0.030 0.000 0.975 251 K CA -0.765 55.512 56.287 -0.017 0.000 0.895 251 K CB 1.502 33.994 32.500 -0.013 0.000 1.060 251 K HN 0.756 nan 8.250 nan 0.000 0.448 252 K N 0.628 121.016 120.400 -0.021 0.000 2.524 252 K HA -0.100 4.220 4.320 -0.000 0.000 0.279 252 K C 0.623 177.194 176.600 -0.048 0.000 0.993 252 K CA 1.428 57.694 56.287 -0.034 0.000 1.030 252 K CB 0.054 32.548 32.500 -0.009 0.000 0.891 252 K HN 0.837 nan 8.250 nan 0.000 0.488 253 G N 3.013 111.767 108.800 -0.078 0.000 2.195 253 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.246 253 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.246 253 G C -0.279 174.562 174.900 -0.099 0.000 0.984 253 G CA 0.211 45.261 45.100 -0.084 0.000 0.633 253 G HN 0.721 nan 8.290 nan 0.000 0.525 254 D N 0.367 120.708 120.400 -0.097 0.000 2.357 254 D HA 0.518 5.158 4.640 -0.000 0.000 0.242 254 D C 0.590 176.806 176.300 -0.140 0.000 1.153 254 D CA 0.151 54.095 54.000 -0.093 0.000 0.918 254 D CB 0.648 41.406 40.800 -0.069 0.000 1.181 254 D HN 0.068 nan 8.370 nan 0.000 0.435 255 I N 1.819 122.328 120.570 -0.102 0.000 2.382 255 I HA 0.153 4.323 4.170 -0.000 0.000 0.285 255 I C -0.421 175.663 176.117 -0.055 0.000 1.007 255 I CA -0.742 60.496 61.300 -0.104 0.000 1.142 255 I CB 1.186 39.170 38.000 -0.027 0.000 1.289 255 I HN 0.037 nan 8.210 nan 0.000 0.453 256 V N 6.202 126.075 119.914 -0.069 0.000 2.427 256 V HA 0.342 4.462 4.120 -0.000 0.000 0.268 256 V C 1.338 177.437 176.094 0.008 0.000 1.046 256 V CA -0.524 61.752 62.300 -0.039 0.000 0.970 256 V CB 0.702 32.477 31.823 -0.080 0.000 1.001 256 V HN 0.952 nan 8.190 nan 0.000 0.476 257 G N 7.663 116.480 108.800 0.028 0.000 2.971 257 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.227 257 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.227 257 G C -2.003 172.956 174.900 0.098 0.000 1.214 257 G CA -0.559 44.573 45.100 0.055 0.000 0.854 257 G HN 0.648 nan 8.290 nan 0.000 0.566 258 P HA 0.086 nan 4.420 nan 0.000 0.263 258 P C -0.161 177.337 177.300 0.331 0.000 1.247 258 P CA -0.072 63.151 63.100 0.205 0.000 0.876 258 P CB 0.329 32.084 31.700 0.092 0.000 0.928 259 I N 3.848 124.632 120.570 0.357 0.000 2.371 259 I HA 0.246 4.416 4.170 -0.000 0.000 0.290 259 I C 1.169 177.527 176.117 0.402 0.000 1.028 259 I CA -0.732 60.796 61.300 0.381 0.000 1.345 259 I CB 0.412 38.686 38.000 0.456 0.000 1.407 259 I HN 0.267 nan 8.210 nan 0.000 0.501 260 R N 5.278 125.905 120.500 0.211 0.000 2.265 260 R HA 0.453 4.793 4.340 -0.000 0.000 0.314 260 R C -0.162 176.131 176.300 -0.012 0.000 1.053 260 R CA -0.049 55.978 56.100 -0.122 0.000 0.931 260 R CB 0.748 30.899 30.300 -0.249 0.000 1.024 260 R HN 0.855 nan 8.270 nan 0.000 0.457 261 S N 1.708 117.394 115.700 -0.023 0.000 2.810 261 S HA 0.509 4.979 4.470 -0.000 0.000 0.315 261 S C 0.922 175.494 174.600 -0.046 0.000 1.138 261 S CA -0.482 57.746 58.200 0.046 0.000 0.889 261 S CB 1.291 64.657 63.200 0.278 0.000 1.236 261 S HN 0.584 nan 8.310 nan 0.000 0.548 262 G N -0.247 108.545 108.800 -0.014 0.000 2.598 262 G HA2 0.050 4.010 3.960 -0.000 0.000 0.215 262 G HA3 0.050 4.010 3.960 -0.000 0.000 0.215 262 G C 0.848 175.734 174.900 -0.024 0.000 1.131 262 G CA 0.811 45.893 45.100 -0.030 0.000 0.785 262 G HN 0.663 nan 8.290 nan 0.000 0.539 263 V N -0.484 119.438 119.914 0.012 0.000 3.354 263 V HA 0.492 4.612 4.120 -0.000 0.000 0.258 263 V C 1.425 177.475 176.094 -0.073 0.000 1.159 263 V CA 0.850 63.156 62.300 0.009 0.000 1.125 263 V CB -0.489 31.393 31.823 0.100 0.000 0.774 263 V HN 0.700 nan 8.190 nan 0.000 0.464 264 G N -0.361 108.333 108.800 -0.176 0.000 2.291 264 G HA2 0.122 4.082 3.960 -0.000 0.000 0.249 264 G HA3 0.122 4.082 3.960 -0.000 0.000 0.249 264 G C -1.472 173.151 174.900 -0.461 0.000 1.340 264 G CA -0.836 44.107 45.100 -0.263 0.000 1.017 264 G HN -0.020 nan 8.290 nan 0.000 0.470 265 F N 1.965 121.805 119.950 -0.184 0.000 2.436 265 F HA 0.638 5.165 4.527 -0.000 0.000 0.340 265 F C 0.783 176.458 175.800 -0.208 0.000 1.113 265 F CA -0.517 57.413 58.000 -0.116 0.000 1.022 265 F CB 1.734 40.715 39.000 -0.033 0.000 1.128 265 F HN 0.304 nan 8.300 nan 0.000 0.466 266 H N 3.817 123.102 119.070 0.358 0.000 2.573 266 H HA 0.692 5.248 4.556 -0.000 0.000 0.351 266 H C -0.727 174.731 175.328 0.217 0.000 1.163 266 H CA -0.721 55.536 56.048 0.348 0.000 1.205 266 H CB 2.512 32.587 29.762 0.523 0.000 1.605 266 H HN 0.448 nan 8.280 nan 0.000 0.525 267 I N 2.688 123.442 120.570 0.307 0.000 2.607 267 I HA 0.233 4.403 4.170 -0.000 0.000 0.290 267 I C -0.914 175.379 176.117 0.293 0.000 1.129 267 I CA -0.385 61.053 61.300 0.230 0.000 1.042 267 I CB 2.297 40.431 38.000 0.223 0.000 1.242 267 I HN 0.154 nan 8.210 nan 0.000 0.421 268 L N 5.329 126.604 121.223 0.086 0.000 2.381 268 L HA 0.604 4.944 4.340 -0.000 0.000 0.268 268 L C -0.517 176.175 176.870 -0.297 0.000 0.997 268 L CA -0.762 54.048 54.840 -0.049 0.000 0.818 268 L CB 2.284 44.211 42.059 -0.221 0.000 1.310 268 L HN 0.511 nan 8.230 nan 0.000 0.416 269 K N 1.848 121.868 120.400 -0.633 0.000 2.274 269 K HA 0.488 4.808 4.320 -0.000 0.000 0.262 269 K C -1.044 175.291 176.600 -0.441 0.000 0.961 269 K CA -0.638 55.172 56.287 -0.796 0.000 0.833 269 K CB 1.940 33.538 32.500 -1.504 0.000 1.102 269 K HN 0.406 nan 8.250 nan 0.000 0.436 270 V N 5.639 125.370 119.914 -0.305 0.000 2.326 270 V HA 0.005 4.125 4.120 -0.000 0.000 0.249 270 V C 1.033 176.996 176.094 -0.217 0.000 1.114 270 V CA -0.096 62.072 62.300 -0.220 0.000 1.028 270 V CB -0.255 31.479 31.823 -0.148 0.000 1.170 270 V HN 0.883 nan 8.190 nan 0.000 0.494 271 N N 2.643 121.191 118.700 -0.253 0.000 2.006 271 N HA -0.106 4.634 4.740 -0.000 0.000 0.196 271 N C 0.626 176.030 175.510 -0.178 0.000 1.057 271 N CA 1.268 54.181 53.050 -0.227 0.000 0.853 271 N CB 0.129 38.450 38.487 -0.276 0.000 1.051 271 N HN 0.667 nan 8.380 nan 0.000 0.423 272 D N -0.776 119.475 120.400 -0.249 0.000 2.531 272 D HA 0.429 5.069 4.640 -0.000 0.000 0.244 272 D C -1.818 174.465 176.300 -0.029 0.000 1.090 272 D CA -0.571 53.377 54.000 -0.087 0.000 0.989 272 D CB 2.191 43.011 40.800 0.033 0.000 1.433 272 D HN -0.086 nan 8.370 nan 0.000 0.492 273 L N 2.227 123.574 121.223 0.207 0.000 2.541 273 L HA 0.446 4.786 4.340 -0.000 0.000 0.266 273 L C -0.885 176.152 176.870 0.278 0.000 0.966 273 L CA -0.424 54.569 54.840 0.254 0.000 0.871 273 L CB 1.240 43.360 42.059 0.102 0.000 1.232 273 L HN 0.563 nan 8.230 nan 0.000 0.408 274 R N 2.917 123.608 120.500 0.318 0.000 3.006 274 R HA 0.951 5.291 4.340 -0.000 0.000 0.235 274 R C -0.106 176.208 176.300 0.023 0.000 1.362 274 R CA -0.618 55.525 56.100 0.072 0.000 1.067 274 R CB 0.720 30.912 30.300 -0.181 0.000 1.396 274 R HN 0.698 nan 8.270 nan 0.000 0.504 275 G N -0.186 108.593 108.800 -0.035 0.000 2.539 275 G HA2 0.118 4.078 3.960 -0.000 0.000 0.258 275 G HA3 0.118 4.078 3.960 -0.000 0.000 0.258 275 G C -0.975 173.899 174.900 -0.044 0.000 1.202 275 G CA -0.579 44.503 45.100 -0.029 0.000 0.851 275 G HN 0.633 nan 8.290 nan 0.000 0.556 276 E N 1.030 121.216 120.200 -0.024 0.000 2.052 276 E HA 0.253 4.603 4.350 -0.000 0.000 0.283 276 E C 0.112 176.691 176.600 -0.035 0.000 1.071 276 E CA -0.336 56.050 56.400 -0.024 0.000 0.851 276 E CB 0.264 29.960 29.700 -0.007 0.000 1.066 276 E HN 0.299 nan 8.360 nan 0.000 0.396 277 S N 3.772 119.442 115.700 -0.049 0.000 2.626 277 S HA -0.096 4.374 4.470 -0.000 0.000 0.303 277 S C 0.221 174.801 174.600 -0.033 0.000 1.256 277 S CA 0.174 58.346 58.200 -0.047 0.000 1.069 277 S CB 0.293 63.460 63.200 -0.055 0.000 0.807 277 S HN 0.471 nan 8.310 nan 0.000 0.500 278 K N 3.513 123.895 120.400 -0.029 0.000 2.542 278 K HA -0.000 4.320 4.320 -0.000 0.000 0.276 278 K C 1.005 177.592 176.600 -0.022 0.000 0.963 278 K CA 0.492 56.765 56.287 -0.023 0.000 0.975 278 K CB 0.261 32.749 32.500 -0.021 0.000 0.901 278 K HN 0.529 nan 8.250 nan 0.000 0.506 279 N N 1.502 120.190 118.700 -0.019 0.000 2.174 279 N HA 0.068 4.808 4.740 -0.000 0.000 0.255 279 N C -0.242 175.258 175.510 -0.016 0.000 1.279 279 N CA 0.398 53.437 53.050 -0.018 0.000 0.935 279 N CB 0.029 38.505 38.487 -0.018 0.000 1.013 279 N HN 0.350 nan 8.380 nan 0.000 0.427 280 I N 0.871 121.432 120.570 -0.015 0.000 2.531 280 I HA 0.032 4.202 4.170 -0.000 0.000 0.283 280 I C -0.244 175.867 176.117 -0.010 0.000 1.083 280 I CA -0.289 61.004 61.300 -0.012 0.000 1.071 280 I CB 1.100 39.093 38.000 -0.012 0.000 1.210 280 I HN 0.301 nan 8.210 nan 0.000 0.450 281 S N 5.102 120.798 115.700 -0.007 0.000 3.965 281 S HA 0.362 4.832 4.470 -0.000 0.000 0.195 281 S C 0.087 174.690 174.600 0.004 0.000 1.449 281 S CA -0.532 57.666 58.200 -0.004 0.000 0.965 281 S CB -0.242 62.957 63.200 -0.002 0.000 1.459 281 S HN 0.276 nan 8.310 nan 0.000 0.476 282 V N 2.245 122.162 119.914 0.005 0.000 2.715 282 V HA 0.316 4.436 4.120 -0.000 0.000 0.299 282 V C 0.872 176.984 176.094 0.029 0.000 1.054 282 V CA -0.012 62.298 62.300 0.017 0.000 1.077 282 V CB 1.447 33.278 31.823 0.015 0.000 0.972 282 V HN 0.759 nan 8.190 nan 0.000 0.484 283 T N 5.081 119.665 114.554 0.050 0.000 2.779 283 T HA 0.441 4.791 4.350 -0.000 0.000 0.280 283 T C -0.450 174.326 174.700 0.128 0.000 0.987 283 T CA -0.582 61.565 62.100 0.077 0.000 0.966 283 T CB 0.490 69.403 68.868 0.075 0.000 0.933 283 T HN 0.818 nan 8.240 nan 0.000 0.442 284 E N 2.135 122.444 120.200 0.182 0.000 2.212 284 E HA 0.649 4.999 4.350 -0.000 0.000 0.270 284 E C -0.523 176.356 176.600 0.465 0.000 0.956 284 E CA -1.095 55.492 56.400 0.312 0.000 0.825 284 E CB 2.105 32.018 29.700 0.356 0.000 1.167 284 E HN 0.561 nan 8.360 nan 0.000 0.400 285 V N -0.801 119.352 119.914 0.397 0.000 2.914 285 V HA 0.518 4.638 4.120 -0.000 0.000 0.314 285 V C -1.078 174.950 176.094 -0.110 0.000 1.084 285 V CA -0.923 61.495 62.300 0.195 0.000 0.963 285 V CB 1.725 33.604 31.823 0.093 0.000 1.025 285 V HN 0.739 nan 8.190 nan 0.000 0.432 286 H N 2.022 120.700 119.070 -0.654 0.000 2.587 286 H HA 0.868 5.424 4.556 -0.000 0.000 0.325 286 H C -0.219 174.839 175.328 -0.450 0.000 1.012 286 H CA 0.667 56.168 56.048 -0.913 0.000 1.213 286 H CB 1.156 29.969 29.762 -1.581 0.000 1.431 286 H HN 1.326 nan 8.280 nan 0.000 0.492 287 A N 4.892 127.370 122.820 -0.569 0.000 2.527 287 A HA 0.809 5.129 4.320 -0.000 0.000 0.293 287 A C -0.879 176.522 177.584 -0.304 0.000 1.117 287 A CA -0.946 50.866 52.037 -0.375 0.000 0.723 287 A CB 1.675 20.504 19.000 -0.285 0.000 1.313 287 A HN 0.738 nan 8.150 nan 0.000 0.411 288 R N 0.432 120.823 120.500 -0.182 0.000 2.854 288 R HA 0.707 5.047 4.340 -0.000 0.000 0.271 288 R C -1.290 175.177 176.300 0.279 0.000 0.994 288 R CA -0.761 55.351 56.100 0.020 0.000 0.945 288 R CB 2.121 32.341 30.300 -0.132 0.000 1.194 288 R HN 1.021 nan 8.270 nan 0.000 0.476 289 H N 0.275 119.530 119.070 0.308 0.000 3.064 289 H HA 0.387 4.943 4.556 -0.000 0.000 0.352 289 H C -1.486 173.994 175.328 0.253 0.000 1.260 289 H CA -0.839 55.413 56.048 0.341 0.000 1.160 289 H CB 1.134 31.008 29.762 0.187 0.000 1.879 289 H HN 0.475 nan 8.280 nan 0.000 0.544 290 I N 2.981 123.496 120.570 -0.091 0.000 2.382 290 I HA 0.130 4.300 4.170 -0.000 0.000 0.286 290 I C -0.583 175.516 176.117 -0.031 0.000 1.002 290 I CA -0.951 60.208 61.300 -0.234 0.000 1.135 290 I CB 1.606 39.431 38.000 -0.291 0.000 1.288 290 I HN 0.301 nan 8.210 nan 0.000 0.448 291 L N 8.244 129.420 121.223 -0.078 0.000 2.290 291 L HA 0.404 4.744 4.340 -0.000 0.000 0.284 291 L C -0.729 176.229 176.870 0.145 0.000 1.078 291 L CA 0.251 55.196 54.840 0.175 0.000 0.815 291 L CB 0.635 42.841 42.059 0.244 0.000 1.162 291 L HN 0.508 nan 8.230 nan 0.000 0.435 292 L N 6.827 128.153 121.223 0.173 0.000 2.556 292 L HA 0.284 4.624 4.340 -0.000 0.000 0.243 292 L C -0.212 176.761 176.870 0.172 0.000 1.331 292 L CA -0.630 54.288 54.840 0.132 0.000 0.927 292 L CB 0.353 42.456 42.059 0.074 0.000 1.219 292 L HN 0.630 nan 8.230 nan 0.000 0.490 293 K N 1.899 122.397 120.400 0.164 0.000 2.412 293 K HA 0.288 4.608 4.320 -0.000 0.000 0.284 293 K C -2.527 174.163 176.600 0.150 0.000 1.046 293 K CA -1.192 55.202 56.287 0.179 0.000 0.999 293 K CB 0.637 33.231 32.500 0.157 0.000 0.941 293 K HN 0.102 nan 8.250 nan 0.000 0.474 294 P HA -0.036 nan 4.420 nan 0.000 0.274 294 P C -0.464 176.885 177.300 0.082 0.000 1.264 294 P CA -0.211 62.957 63.100 0.113 0.000 0.795 294 P CB 0.759 32.550 31.700 0.152 0.000 1.064 295 S N -2.796 112.934 115.700 0.049 0.000 2.683 295 S HA 0.368 4.838 4.470 -0.000 0.000 0.269 295 S C -2.456 172.158 174.600 0.023 0.000 1.165 295 S CA -0.937 57.286 58.200 0.039 0.000 0.840 295 S CB 0.520 63.741 63.200 0.035 0.000 1.169 295 S HN 0.112 nan 8.310 nan 0.000 0.490 296 P HA 0.027 nan 4.420 nan 0.000 0.217 296 P C 1.146 178.448 177.300 0.003 0.000 1.148 296 P CA 1.182 64.288 63.100 0.011 0.000 0.828 296 P CB -0.106 31.600 31.700 0.010 0.000 0.783 297 I N -1.715 118.856 120.570 0.002 0.000 2.270 297 I HA -0.034 4.136 4.170 -0.000 0.000 0.239 297 I C 1.461 177.566 176.117 -0.019 0.000 1.080 297 I CA 0.587 61.883 61.300 -0.007 0.000 1.383 297 I CB -0.493 37.504 38.000 -0.005 0.000 1.097 297 I HN -0.078 nan 8.210 nan 0.000 0.420 298 M N 1.660 121.247 119.600 -0.021 0.000 2.113 298 M HA 0.384 4.864 4.480 -0.000 0.000 0.352 298 M C 0.265 176.539 176.300 -0.044 0.000 1.170 298 M CA -0.590 54.683 55.300 -0.045 0.000 1.053 298 M CB 0.974 33.538 32.600 -0.058 0.000 1.601 298 M HN 0.074 nan 8.290 nan 0.000 0.459 299 T N -0.999 113.516 114.554 -0.064 0.000 2.729 299 T HA 0.207 4.557 4.350 -0.000 0.000 0.298 299 T C 0.508 175.141 174.700 -0.113 0.000 1.013 299 T CA -0.052 62.013 62.100 -0.057 0.000 0.957 299 T CB 0.563 69.396 68.868 -0.059 0.000 1.130 299 T HN 0.691 nan 8.240 nan 0.000 0.526 300 D N -0.167 120.174 120.400 -0.098 0.000 2.149 300 D HA -0.012 4.628 4.640 -0.000 0.000 0.201 300 D C 2.104 178.107 176.300 -0.494 0.000 0.972 300 D CA 0.729 54.596 54.000 -0.221 0.000 0.835 300 D CB -0.185 40.641 40.800 0.043 0.000 0.966 300 D HN 0.530 nan 8.370 nan 0.000 0.476 301 E N 0.520 120.544 120.200 -0.294 0.000 2.268 301 E HA -0.092 4.258 4.350 -0.000 0.000 0.195 301 E C 1.892 178.305 176.600 -0.311 0.000 0.995 301 E CA 0.563 56.783 56.400 -0.300 0.000 0.836 301 E CB 0.047 29.646 29.700 -0.168 0.000 0.763 301 E HN 0.485 nan 8.360 nan 0.000 0.491 302 Q N -0.649 118.987 119.800 -0.273 0.000 2.204 302 Q HA 0.120 4.460 4.340 -0.000 0.000 0.198 302 Q C 1.953 177.776 176.000 -0.296 0.000 0.946 302 Q CA 0.894 56.557 55.803 -0.233 0.000 0.859 302 Q CB 0.119 28.762 28.738 -0.158 0.000 0.946 302 Q HN 0.164 nan 8.270 nan 0.000 0.474 303 A N 0.845 123.440 122.820 -0.376 0.000 2.168 303 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 303 A C 1.885 179.117 177.584 -0.586 0.000 1.152 303 A CA 0.734 52.532 52.037 -0.398 0.000 0.716 303 A CB -0.167 18.640 19.000 -0.322 0.000 0.794 303 A HN 0.134 nan 8.150 nan 0.000 0.465 304 R N -0.639 119.378 120.500 -0.806 0.000 2.055 304 R HA 0.017 4.357 4.340 -0.000 0.000 0.221 304 R C 1.850 177.911 176.300 -0.399 0.000 1.154 304 R CA 1.335 56.953 56.100 -0.802 0.000 0.975 304 R CB -0.263 29.382 30.300 -1.093 0.000 0.869 304 R HN 0.233 nan 8.270 nan 0.000 0.437 305 V N 2.398 122.109 119.914 -0.338 0.000 2.392 305 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 305 V C 2.327 178.300 176.094 -0.203 0.000 1.059 305 V CA 1.989 64.157 62.300 -0.220 0.000 1.051 305 V CB -0.569 31.143 31.823 -0.186 0.000 0.658 305 V HN 0.302 nan 8.190 nan 0.000 0.455 306 K N 0.602 120.859 120.400 -0.238 0.000 2.044 306 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 306 K C 1.885 178.340 176.600 -0.242 0.000 1.049 306 K CA 1.799 57.936 56.287 -0.251 0.000 0.927 306 K CB -0.648 31.684 32.500 -0.279 0.000 0.713 306 K HN 0.424 nan 8.250 nan 0.000 0.443 307 L N 0.539 121.640 121.223 -0.203 0.000 1.955 307 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 307 L C 2.319 179.130 176.870 -0.098 0.000 1.072 307 L CA 1.983 56.745 54.840 -0.131 0.000 0.755 307 L CB -0.708 41.320 42.059 -0.051 0.000 0.888 307 L HN 0.338 nan 8.230 nan 0.000 0.432 308 E N -0.526 119.622 120.200 -0.087 0.000 2.271 308 E HA -0.333 4.017 4.350 -0.000 0.000 0.209 308 E C 2.239 178.805 176.600 -0.056 0.000 1.046 308 E CA 1.534 57.899 56.400 -0.058 0.000 0.840 308 E CB -0.137 29.521 29.700 -0.070 0.000 0.738 308 E HN 0.457 nan 8.360 nan 0.000 0.470 309 Q N -0.099 119.649 119.800 -0.087 0.000 2.061 309 Q HA -0.041 4.299 4.340 -0.000 0.000 0.195 309 Q C 2.116 178.076 176.000 -0.066 0.000 0.967 309 Q CA 0.553 56.310 55.803 -0.077 0.000 0.829 309 Q CB 0.111 28.787 28.738 -0.103 0.000 0.900 309 Q HN 0.298 nan 8.270 nan 0.000 0.450 310 I N 0.815 121.318 120.570 -0.111 0.000 3.010 310 I HA -0.168 4.002 4.170 -0.000 0.000 0.271 310 I C 1.813 177.918 176.117 -0.019 0.000 1.293 310 I CA 0.859 62.114 61.300 -0.075 0.000 1.452 310 I CB -1.405 36.490 38.000 -0.174 0.000 1.082 310 I HN 0.018 nan 8.210 nan 0.000 0.484 311 A N 0.445 123.257 122.820 -0.013 0.000 1.944 311 A HA 0.331 4.651 4.320 -0.000 0.000 0.207 311 A C 2.488 180.096 177.584 0.040 0.000 1.265 311 A CA 0.771 52.825 52.037 0.029 0.000 0.712 311 A CB -0.499 18.523 19.000 0.036 0.000 0.915 311 A HN 0.299 nan 8.150 nan 0.000 0.470 312 A N 0.470 123.301 122.820 0.017 0.000 1.972 312 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 312 A C 1.569 179.168 177.584 0.024 0.000 1.169 312 A CA 2.023 54.071 52.037 0.018 0.000 0.635 312 A CB -0.607 18.394 19.000 0.002 0.000 0.810 312 A HN 0.439 nan 8.150 nan 0.000 0.446 313 D N -0.171 120.244 120.400 0.025 0.000 2.178 313 D HA -0.065 4.575 4.640 -0.000 0.000 0.202 313 D C 1.713 178.042 176.300 0.048 0.000 0.974 313 D CA 0.926 54.946 54.000 0.033 0.000 0.841 313 D CB -0.184 40.640 40.800 0.039 0.000 0.953 313 D HN 0.530 nan 8.370 nan 0.000 0.478 314 I N 0.490 121.098 120.570 0.064 0.000 2.286 314 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 314 I C 2.008 178.173 176.117 0.081 0.000 1.104 314 I CA 0.996 62.352 61.300 0.094 0.000 1.397 314 I CB -0.088 38.005 38.000 0.155 0.000 1.072 314 I HN -0.049 nan 8.210 nan 0.000 0.417 315 K N 0.588 121.029 120.400 0.067 0.000 2.097 315 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 315 K C 1.535 178.156 176.600 0.035 0.000 1.050 315 K CA 1.582 57.899 56.287 0.049 0.000 0.938 315 K CB -0.173 32.351 32.500 0.040 0.000 0.718 315 K HN 0.303 nan 8.250 nan 0.000 0.442 316 S N -0.014 115.705 115.700 0.032 0.000 2.582 316 S HA 0.215 4.685 4.470 -0.000 0.000 0.249 316 S C 1.199 175.814 174.600 0.025 0.000 1.072 316 S CA -0.031 58.183 58.200 0.024 0.000 1.115 316 S CB 0.057 63.267 63.200 0.018 0.000 0.790 316 S HN 0.441 nan 8.310 nan 0.000 0.459 317 G N 2.112 110.930 108.800 0.030 0.000 2.279 317 G HA2 -0.495 3.465 3.960 -0.000 0.000 0.269 317 G HA3 -0.495 3.465 3.960 -0.000 0.000 0.269 317 G C 1.027 175.944 174.900 0.029 0.000 0.992 317 G CA 1.130 46.247 45.100 0.030 0.000 0.656 317 G HN 0.658 nan 8.290 nan 0.000 0.551 318 K N 0.043 120.460 120.400 0.028 0.000 2.228 318 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 318 K C 1.161 177.779 176.600 0.031 0.000 1.045 318 K CA 1.994 58.297 56.287 0.027 0.000 0.931 318 K CB -0.131 32.385 32.500 0.027 0.000 0.727 318 K HN 0.721 nan 8.250 nan 0.000 0.458 319 T N -2.499 112.078 114.554 0.039 0.000 2.775 319 T HA 0.229 4.579 4.350 -0.000 0.000 0.320 319 T C -1.393 173.340 174.700 0.054 0.000 1.597 319 T CA -0.340 61.784 62.100 0.039 0.000 1.022 319 T CB 0.906 69.798 68.868 0.041 0.000 1.485 319 T HN 0.151 nan 8.240 nan 0.000 0.494 320 T N 1.135 115.721 114.554 0.053 0.000 2.922 320 T HA 0.464 4.814 4.350 -0.000 0.000 0.285 320 T C 1.053 175.828 174.700 0.125 0.000 1.005 320 T CA -0.462 61.692 62.100 0.089 0.000 1.061 320 T CB 0.755 69.667 68.868 0.073 0.000 1.007 320 T HN 0.521 nan 8.240 nan 0.000 0.502 321 F N 3.064 123.022 119.950 0.013 0.000 2.102 321 F HA 0.089 4.616 4.527 -0.000 0.000 0.298 321 F C 2.493 178.295 175.800 0.003 0.000 1.105 321 F CA 1.912 59.922 58.000 0.017 0.000 1.239 321 F CB -0.936 38.071 39.000 0.012 0.000 0.991 321 F HN 0.763 nan 8.300 nan 0.000 0.474 322 A N 0.206 123.229 122.820 0.339 0.000 2.024 322 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 322 A C 2.362 179.971 177.584 0.041 0.000 1.164 322 A CA 1.731 53.886 52.037 0.196 0.000 0.643 322 A CB -1.476 17.605 19.000 0.136 0.000 0.806 322 A HN 0.527 nan 8.150 nan 0.000 0.451 323 A N -0.040 122.787 122.820 0.013 0.000 1.841 323 A HA 0.226 4.546 4.320 -0.000 0.000 0.214 323 A C 2.496 179.985 177.584 -0.159 0.000 1.195 323 A CA 1.860 53.860 52.037 -0.061 0.000 0.611 323 A CB -1.178 17.799 19.000 -0.039 0.000 0.835 323 A HN 1.131 nan 8.150 nan 0.000 0.443 324 A N -0.401 122.327 122.820 -0.152 0.000 2.131 324 A HA 0.190 4.510 4.320 -0.000 0.000 0.220 324 A C 2.302 179.738 177.584 -0.247 0.000 1.158 324 A CA 1.968 53.882 52.037 -0.205 0.000 0.665 324 A CB -0.779 18.207 19.000 -0.023 0.000 0.795 324 A HN 0.927 nan 8.150 nan 0.000 0.460 325 A N 0.051 122.733 122.820 -0.230 0.000 1.826 325 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 325 A C 1.996 179.490 177.584 -0.149 0.000 1.212 325 A CA 1.557 53.482 52.037 -0.186 0.000 0.605 325 A CB -0.507 18.445 19.000 -0.080 0.000 0.861 325 A HN 0.425 nan 8.150 nan 0.000 0.447 326 K N -0.339 119.988 120.400 -0.121 0.000 2.585 326 K HA -0.172 4.148 4.320 -0.000 0.000 0.194 326 K C 1.524 178.011 176.600 -0.188 0.000 1.037 326 K CA 1.476 57.697 56.287 -0.112 0.000 0.964 326 K CB 0.023 32.477 32.500 -0.077 0.000 0.787 326 K HN 0.537 nan 8.250 nan 0.000 0.488 327 E N -0.878 119.127 120.200 -0.324 0.000 2.175 327 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 327 E C 0.684 176.914 176.600 -0.616 0.000 0.934 327 E CA 0.867 56.912 56.400 -0.592 0.000 0.870 327 E CB 0.056 29.167 29.700 -0.981 0.000 0.838 327 E HN 0.246 nan 8.360 nan 0.000 0.474 328 F N 0.002 119.906 119.950 -0.078 0.000 2.752 328 F HA 0.411 4.938 4.527 -0.000 0.000 0.310 328 F C 0.891 176.652 175.800 -0.065 0.000 1.097 328 F CA -0.275 57.684 58.000 -0.068 0.000 1.238 328 F CB -0.089 38.863 39.000 -0.081 0.000 1.061 328 F HN -0.170 nan 8.300 nan 0.000 0.591 329 S N 1.678 117.399 115.700 0.035 0.000 2.596 329 S HA -0.038 4.432 4.470 -0.000 0.000 0.298 329 S C 0.809 175.421 174.600 0.020 0.000 1.255 329 S CA -0.022 58.165 58.200 -0.021 0.000 1.083 329 S CB 0.147 63.280 63.200 -0.112 0.000 0.837 329 S HN 0.391 nan 8.310 nan 0.000 0.499 330 Q N 2.981 122.816 119.800 0.058 0.000 2.244 330 Q HA 0.144 4.484 4.340 -0.000 0.000 0.239 330 Q C -0.698 175.359 176.000 0.094 0.000 0.890 330 Q CA -0.065 55.786 55.803 0.080 0.000 0.964 330 Q CB 0.147 28.946 28.738 0.102 0.000 1.076 330 Q HN 0.595 nan 8.270 nan 0.000 0.447 331 D N 1.391 121.837 120.400 0.077 0.000 2.400 331 D HA 0.166 4.806 4.640 -0.000 0.000 0.272 331 D C -2.511 173.832 176.300 0.071 0.000 1.220 331 D CA -2.344 51.718 54.000 0.105 0.000 0.897 331 D CB 1.100 42.023 40.800 0.205 0.000 1.134 331 D HN -0.073 nan 8.370 nan 0.000 0.507 332 P HA 0.196 nan 4.420 nan 0.000 0.269 332 P C 1.029 178.355 177.300 0.043 0.000 1.211 332 P CA 0.785 63.908 63.100 0.039 0.000 0.781 332 P CB 0.878 32.598 31.700 0.033 0.000 0.877 333 G N -0.077 108.745 108.800 0.037 0.000 2.199 333 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.254 333 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.254 333 G C 0.789 175.721 174.900 0.054 0.000 0.982 333 G CA 0.663 45.786 45.100 0.038 0.000 0.632 333 G HN 0.774 nan 8.290 nan 0.000 0.529 334 S N -1.050 114.690 115.700 0.066 0.000 3.472 334 S HA 0.565 5.035 4.470 -0.000 0.000 0.247 334 S C 2.540 177.167 174.600 0.045 0.000 1.084 334 S CA 1.675 59.930 58.200 0.091 0.000 0.795 334 S CB -0.647 62.670 63.200 0.195 0.000 0.892 334 S HN 1.600 nan 8.310 nan 0.000 0.513 335 A N 1.908 124.737 122.820 0.015 0.000 1.948 335 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 335 A C 1.769 179.349 177.584 -0.008 0.000 1.177 335 A CA 1.996 54.023 52.037 -0.017 0.000 0.636 335 A CB -1.235 17.751 19.000 -0.023 0.000 0.815 335 A HN 0.772 nan 8.150 nan 0.000 0.449 336 N N -1.326 117.378 118.700 0.007 0.000 2.494 336 N HA -0.041 4.699 4.740 -0.000 0.000 0.182 336 N C 1.358 176.879 175.510 0.018 0.000 1.076 336 N CA 0.326 53.380 53.050 0.007 0.000 0.908 336 N CB 0.028 38.522 38.487 0.011 0.000 0.967 336 N HN 0.563 nan 8.380 nan 0.000 0.449 337 Q N -0.534 119.284 119.800 0.031 0.000 2.188 337 Q HA 0.136 4.476 4.340 -0.000 0.000 0.212 337 Q C 0.438 176.471 176.000 0.054 0.000 0.846 337 Q CA -0.188 55.641 55.803 0.043 0.000 0.989 337 Q CB 0.876 29.645 28.738 0.051 0.000 1.114 337 Q HN 0.406 nan 8.270 nan 0.000 0.488 338 G N -0.414 108.415 108.800 0.049 0.000 2.179 338 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 338 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 338 G C 0.658 175.639 174.900 0.134 0.000 0.977 338 G CA 0.086 45.233 45.100 0.077 0.000 0.641 338 G HN 0.749 nan 8.290 nan 0.000 0.533 339 G N -0.906 107.955 108.800 0.103 0.000 2.179 339 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.220 339 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.220 339 G C -0.009 174.991 174.900 0.168 0.000 0.990 339 G CA 0.797 45.986 45.100 0.148 0.000 0.646 339 G HN 1.319 nan 8.290 nan 0.000 0.517 340 D N 0.475 120.925 120.400 0.084 0.000 2.382 340 D HA 0.340 4.980 4.640 -0.000 0.000 0.259 340 D C 1.594 177.890 176.300 -0.007 0.000 1.224 340 D CA -0.058 53.934 54.000 -0.014 0.000 0.894 340 D CB 0.347 41.157 40.800 0.017 0.000 1.127 340 D HN 0.195 nan 8.370 nan 0.000 0.487 341 L N 3.154 124.326 121.223 -0.085 0.000 2.592 341 L HA 0.267 4.607 4.340 -0.000 0.000 0.227 341 L C 1.463 178.297 176.870 -0.059 0.000 1.127 341 L CA 0.163 54.992 54.840 -0.018 0.000 0.884 341 L CB -0.677 41.406 42.059 0.040 0.000 1.065 341 L HN 0.709 nan 8.230 nan 0.000 0.457 342 G N -0.390 108.310 108.800 -0.166 0.000 2.806 342 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.236 342 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.236 342 G C -0.854 174.030 174.900 -0.027 0.000 1.387 342 G CA -0.568 44.520 45.100 -0.021 0.000 0.884 342 G HN 0.190 nan 8.290 nan 0.000 0.560 343 W N 0.439 121.867 121.300 0.214 0.000 2.287 343 W HA 0.591 5.251 4.660 -0.000 0.000 0.313 343 W C 0.601 177.184 176.519 0.107 0.000 1.267 343 W CA 0.859 58.319 57.345 0.193 0.000 1.201 343 W CB 1.316 30.868 29.460 0.154 0.000 1.196 343 W HN 1.141 nan 8.180 nan 0.000 0.536 344 A N 1.593 124.609 122.820 0.327 0.000 2.606 344 A HA 0.707 5.027 4.320 -0.000 0.000 0.293 344 A C -0.513 177.202 177.584 0.219 0.000 1.082 344 A CA -0.956 51.189 52.037 0.181 0.000 0.685 344 A CB 0.710 19.728 19.000 0.030 0.000 1.284 344 A HN 0.399 nan 8.150 nan 0.000 0.408 345 T N 1.584 116.201 114.554 0.105 0.000 2.869 345 T HA 0.425 4.775 4.350 -0.000 0.000 0.295 345 T C -1.466 173.326 174.700 0.152 0.000 0.987 345 T CA -1.020 61.152 62.100 0.120 0.000 1.109 345 T CB 0.961 69.860 68.868 0.052 0.000 0.932 345 T HN 0.478 nan 8.240 nan 0.000 0.518 346 P HA -0.246 nan 4.420 nan 0.000 0.216 346 P C 0.985 178.460 177.300 0.292 0.000 1.154 346 P CA 1.811 65.132 63.100 0.368 0.000 0.865 346 P CB -0.039 31.797 31.700 0.226 0.000 0.789 347 D N -0.231 120.244 120.400 0.126 0.000 2.228 347 D HA -0.179 4.461 4.640 -0.000 0.000 0.203 347 D C 1.837 178.125 176.300 -0.020 0.000 0.988 347 D CA 0.751 54.789 54.000 0.064 0.000 0.864 347 D CB -1.031 39.788 40.800 0.031 0.000 0.928 347 D HN 0.100 nan 8.370 nan 0.000 0.469 348 I N -0.099 120.378 120.570 -0.155 0.000 2.567 348 I HA -0.087 4.083 4.170 -0.000 0.000 0.257 348 I C 0.582 176.429 176.117 -0.450 0.000 1.184 348 I CA 0.471 61.564 61.300 -0.344 0.000 1.451 348 I CB -1.207 36.473 38.000 -0.532 0.000 1.089 348 I HN -0.007 nan 8.210 nan 0.000 0.441 349 F N 0.644 120.519 119.950 -0.125 0.000 2.370 349 F HA 0.168 4.695 4.527 -0.000 0.000 0.319 349 F C 1.104 176.852 175.800 -0.086 0.000 1.129 349 F CA -0.852 57.012 58.000 -0.227 0.000 1.109 349 F CB 0.191 39.025 39.000 -0.277 0.000 1.262 349 F HN -0.132 nan 8.300 nan 0.000 0.534 350 D N 2.336 122.820 120.400 0.139 0.000 2.449 350 D HA 0.015 4.655 4.640 -0.000 0.000 0.236 350 D C -1.398 175.034 176.300 0.220 0.000 1.149 350 D CA -1.087 53.035 54.000 0.203 0.000 0.878 350 D CB 0.860 41.835 40.800 0.291 0.000 1.198 350 D HN 0.104 nan 8.370 nan 0.000 0.446 351 P HA -0.235 nan 4.420 nan 0.000 0.215 351 P C 0.934 178.308 177.300 0.122 0.000 1.157 351 P CA 1.615 64.787 63.100 0.120 0.000 0.868 351 P CB -0.066 31.674 31.700 0.067 0.000 0.788 352 A N -0.346 122.541 122.820 0.112 0.000 1.883 352 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 352 A C 2.226 179.884 177.584 0.123 0.000 1.186 352 A CA 1.653 53.740 52.037 0.083 0.000 0.624 352 A CB -1.894 17.131 19.000 0.041 0.000 0.822 352 A HN 0.147 nan 8.150 nan 0.000 0.444 353 F N 0.415 120.382 119.950 0.030 0.000 2.046 353 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 353 F C 2.419 178.158 175.800 -0.102 0.000 1.123 353 F CA 2.217 60.186 58.000 -0.052 0.000 1.199 353 F CB -0.397 38.564 39.000 -0.064 0.000 0.972 353 F HN 0.200 nan 8.300 nan 0.000 0.474 354 R N 0.288 120.995 120.500 0.344 0.000 2.139 354 R HA -0.205 4.135 4.340 -0.000 0.000 0.243 354 R C 1.923 178.254 176.300 0.051 0.000 1.145 354 R CA 2.032 58.256 56.100 0.206 0.000 0.976 354 R CB -0.625 29.812 30.300 0.227 0.000 0.866 354 R HN 0.370 nan 8.270 nan 0.000 0.449 355 D N -0.147 120.274 120.400 0.034 0.000 2.084 355 D HA -0.098 4.542 4.640 -0.000 0.000 0.196 355 D C 1.746 178.015 176.300 -0.052 0.000 0.985 355 D CA 1.503 55.502 54.000 -0.002 0.000 0.826 355 D CB -0.196 40.610 40.800 0.010 0.000 0.978 355 D HN 0.359 nan 8.370 nan 0.000 0.456 356 A N 1.034 123.794 122.820 -0.100 0.000 1.908 356 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 356 A C 2.184 179.663 177.584 -0.176 0.000 1.181 356 A CA 0.950 52.905 52.037 -0.137 0.000 0.627 356 A CB -0.776 18.110 19.000 -0.190 0.000 0.818 356 A HN 0.200 nan 8.150 nan 0.000 0.445 357 L N -0.103 120.971 121.223 -0.249 0.000 2.081 357 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 357 L C 2.584 179.382 176.870 -0.120 0.000 1.080 357 L CA 2.585 57.281 54.840 -0.239 0.000 0.754 357 L CB -0.972 40.943 42.059 -0.240 0.000 0.893 357 L HN 0.423 nan 8.230 nan 0.000 0.433 358 T N -0.246 114.264 114.554 -0.073 0.000 2.857 358 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 358 T C 1.299 175.976 174.700 -0.038 0.000 1.048 358 T CA 1.180 63.259 62.100 -0.035 0.000 1.139 358 T CB -0.217 68.644 68.868 -0.013 0.000 0.874 358 T HN 0.466 nan 8.240 nan 0.000 0.455 359 R N 1.433 121.905 120.500 -0.048 0.000 3.081 359 R HA 0.371 4.711 4.340 -0.000 0.000 0.280 359 R C -0.451 175.820 176.300 -0.049 0.000 1.372 359 R CA -0.015 56.062 56.100 -0.038 0.000 1.242 359 R CB -0.461 29.821 30.300 -0.030 0.000 1.316 359 R HN 0.310 nan 8.270 nan 0.000 0.585 360 L N 1.225 122.412 121.223 -0.059 0.000 2.408 360 L HA 0.391 4.731 4.340 -0.000 0.000 0.268 360 L C -0.576 176.262 176.870 -0.052 0.000 0.986 360 L CA -0.990 53.810 54.840 -0.066 0.000 0.820 360 L CB 2.470 44.466 42.059 -0.104 0.000 1.303 360 L HN 0.304 nan 8.230 nan 0.000 0.411 361 N N 1.566 120.240 118.700 -0.044 0.000 2.515 361 N HA 0.214 4.954 4.740 -0.000 0.000 0.279 361 N C -0.734 174.751 175.510 -0.041 0.000 1.164 361 N CA -0.865 52.166 53.050 -0.032 0.000 0.982 361 N CB 1.072 39.544 38.487 -0.025 0.000 1.170 361 N HN 0.352 nan 8.380 nan 0.000 0.474 362 K N 0.603 120.985 120.400 -0.029 0.000 2.524 362 K HA 0.034 4.354 4.320 -0.000 0.000 0.279 362 K C 1.175 177.748 176.600 -0.045 0.000 0.993 362 K CA 1.042 57.309 56.287 -0.033 0.000 1.030 362 K CB -0.063 32.431 32.500 -0.011 0.000 0.891 362 K HN 0.803 nan 8.250 nan 0.000 0.488 363 G N 1.165 109.925 108.800 -0.067 0.000 2.220 363 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.269 363 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.269 363 G C 0.238 175.087 174.900 -0.085 0.000 0.977 363 G CA 0.629 45.683 45.100 -0.078 0.000 0.634 363 G HN 0.619 nan 8.290 nan 0.000 0.539 364 Q N -0.194 119.560 119.800 -0.077 0.000 2.368 364 Q HA 0.685 5.025 4.340 -0.000 0.000 0.237 364 Q C 0.373 176.321 176.000 -0.085 0.000 0.987 364 Q CA -0.463 55.300 55.803 -0.066 0.000 0.896 364 Q CB 0.531 29.238 28.738 -0.053 0.000 1.241 364 Q HN 0.500 nan 8.270 nan 0.000 0.485 365 M N 1.605 121.174 119.600 -0.051 0.000 2.578 365 M HA 0.394 4.874 4.480 -0.000 0.000 0.321 365 M C -0.802 175.489 176.300 -0.015 0.000 1.182 365 M CA -0.491 54.791 55.300 -0.031 0.000 0.965 365 M CB 1.850 34.471 32.600 0.033 0.000 1.694 365 M HN 0.821 nan 8.290 nan 0.000 0.461 366 S N 2.288 117.983 115.700 -0.009 0.000 2.730 366 S HA 0.889 5.359 4.470 -0.000 0.000 0.284 366 S C -0.166 174.459 174.600 0.042 0.000 1.153 366 S CA -0.796 57.399 58.200 -0.009 0.000 0.995 366 S CB 1.392 64.557 63.200 -0.058 0.000 1.058 366 S HN 0.868 nan 8.310 nan 0.000 0.552 367 A N 0.684 123.534 122.820 0.048 0.000 2.246 367 A HA 0.720 5.040 4.320 -0.000 0.000 0.291 367 A C -2.685 174.977 177.584 0.131 0.000 1.103 367 A CA -2.062 50.022 52.037 0.079 0.000 0.844 367 A CB -1.044 18.000 19.000 0.073 0.000 1.136 367 A HN 0.671 nan 8.150 nan 0.000 0.500 368 P HA 0.232 nan 4.420 nan 0.000 0.264 368 P C -1.051 176.472 177.300 0.372 0.000 1.193 368 P CA 0.304 63.583 63.100 0.299 0.000 0.763 368 P CB 0.517 32.389 31.700 0.287 0.000 0.810 369 V N 4.442 124.572 119.914 0.361 0.000 2.378 369 V HA 0.185 4.305 4.120 -0.000 0.000 0.288 369 V C -0.031 176.140 176.094 0.128 0.000 1.016 369 V CA -0.563 61.874 62.300 0.229 0.000 0.840 369 V CB 0.904 32.814 31.823 0.145 0.000 0.994 369 V HN 0.537 nan 8.190 nan 0.000 0.431 370 H N 3.882 122.682 119.070 -0.451 0.000 2.668 370 H HA 0.610 5.166 4.556 -0.000 0.000 0.303 370 H C 0.362 175.430 175.328 -0.433 0.000 1.074 370 H CA 0.267 55.710 56.048 -1.010 0.000 1.406 370 H CB 1.152 29.857 29.762 -1.762 0.000 1.442 370 H HN 0.816 nan 8.280 nan 0.000 0.482 371 S N 1.712 117.169 115.700 -0.404 0.000 2.998 371 S HA 0.248 4.718 4.470 -0.000 0.000 0.307 371 S C 1.078 175.486 174.600 -0.320 0.000 1.063 371 S CA -0.091 57.989 58.200 -0.201 0.000 0.895 371 S CB 0.527 63.856 63.200 0.216 0.000 1.362 371 S HN 0.519 nan 8.310 nan 0.000 0.657 372 S N -0.500 115.136 115.700 -0.106 0.000 2.558 372 S HA 0.232 4.702 4.470 -0.000 0.000 0.217 372 S C 0.523 174.863 174.600 -0.434 0.000 0.975 372 S CA -0.024 58.002 58.200 -0.291 0.000 0.912 372 S CB -0.765 62.235 63.200 -0.333 0.000 0.776 372 S HN 0.564 nan 8.310 nan 0.000 0.526 373 F N 1.650 121.559 119.950 -0.067 0.000 2.704 373 F HA 0.572 5.099 4.527 -0.000 0.000 0.304 373 F C 1.533 177.324 175.800 -0.016 0.000 1.094 373 F CA 0.152 58.144 58.000 -0.014 0.000 1.275 373 F CB 0.750 39.774 39.000 0.039 0.000 1.073 373 F HN 0.510 nan 8.300 nan 0.000 0.586 374 G N -0.967 107.866 108.800 0.055 0.000 2.278 374 G HA2 0.016 3.976 3.960 -0.000 0.000 0.265 374 G HA3 0.016 3.976 3.960 -0.000 0.000 0.265 374 G C -1.971 172.869 174.900 -0.100 0.000 1.329 374 G CA -1.308 43.844 45.100 0.086 0.000 1.017 374 G HN -0.058 nan 8.290 nan 0.000 0.472 375 W N 1.452 122.713 121.300 -0.065 0.000 2.570 375 W HA 0.809 5.469 4.660 -0.000 0.000 0.337 375 W C 0.175 176.645 176.519 -0.083 0.000 1.067 375 W CA 0.127 57.419 57.345 -0.087 0.000 1.229 375 W CB 1.732 31.167 29.460 -0.041 0.000 1.355 375 W HN 0.952 nan 8.180 nan 0.000 0.555 376 H N -0.402 118.908 119.070 0.400 0.000 3.014 376 H HA 0.602 5.158 4.556 -0.000 0.000 0.337 376 H C -1.670 173.800 175.328 0.237 0.000 1.320 376 H CA -1.639 54.596 56.048 0.311 0.000 1.128 376 H CB 0.352 30.375 29.762 0.435 0.000 1.862 376 H HN 0.333 nan 8.280 nan 0.000 0.536 377 L N 1.849 123.273 121.223 0.336 0.000 2.282 377 L HA 0.519 4.859 4.340 -0.000 0.000 0.288 377 L C -0.416 176.600 176.870 0.243 0.000 1.033 377 L CA -0.647 54.337 54.840 0.240 0.000 0.807 377 L CB 0.915 43.097 42.059 0.205 0.000 1.209 377 L HN 0.483 nan 8.230 nan 0.000 0.423 378 I N 2.970 123.572 120.570 0.053 0.000 2.378 378 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 378 I C -0.270 175.766 176.117 -0.135 0.000 0.992 378 I CA -0.416 60.805 61.300 -0.133 0.000 1.154 378 I CB 1.889 39.553 38.000 -0.559 0.000 1.315 378 I HN 0.592 nan 8.210 nan 0.000 0.448 379 E N 5.393 125.477 120.200 -0.192 0.000 2.158 379 E HA 0.364 4.714 4.350 -0.000 0.000 0.271 379 E C -1.338 175.098 176.600 -0.273 0.000 0.911 379 E CA -1.001 55.230 56.400 -0.283 0.000 0.767 379 E CB 1.964 31.332 29.700 -0.552 0.000 1.120 379 E HN 0.412 nan 8.360 nan 0.000 0.405 380 L N 6.495 127.586 121.223 -0.220 0.000 2.295 380 L HA 0.222 4.562 4.340 -0.000 0.000 0.288 380 L C -0.113 176.665 176.870 -0.154 0.000 1.079 380 L CA 0.364 55.089 54.840 -0.192 0.000 0.830 380 L CB 0.258 42.227 42.059 -0.150 0.000 1.200 380 L HN 0.805 nan 8.230 nan 0.000 0.438 381 L N 2.545 123.675 121.223 -0.155 0.000 2.034 381 L HA 0.194 4.534 4.340 -0.000 0.000 0.203 381 L C 0.480 177.319 176.870 -0.052 0.000 1.074 381 L CA 0.786 55.574 54.840 -0.087 0.000 0.748 381 L CB -0.143 41.930 42.059 0.024 0.000 0.905 381 L HN 0.634 nan 8.230 nan 0.000 0.439 382 D N -2.358 117.999 120.400 -0.072 0.000 2.643 382 D HA 0.404 5.044 4.640 -0.000 0.000 0.283 382 D C -1.245 175.122 176.300 0.112 0.000 1.242 382 D CA -0.179 53.841 54.000 0.033 0.000 0.863 382 D CB 2.493 43.377 40.800 0.139 0.000 1.382 382 D HN -0.202 nan 8.370 nan 0.000 0.444 383 T N 0.285 115.013 114.554 0.290 0.000 2.903 383 T HA 0.794 5.144 4.350 -0.000 0.000 0.299 383 T C -0.822 174.090 174.700 0.353 0.000 1.093 383 T CA -0.814 61.490 62.100 0.339 0.000 1.002 383 T CB 2.062 71.029 68.868 0.166 0.000 1.127 383 T HN 0.556 nan 8.240 nan 0.000 0.488 384 R N 0.934 121.600 120.500 0.276 0.000 2.712 384 R HA 0.550 4.890 4.340 -0.000 0.000 0.272 384 R C -1.925 174.387 176.300 0.020 0.000 1.032 384 R CA -1.004 55.125 56.100 0.049 0.000 0.874 384 R CB 1.088 31.252 30.300 -0.227 0.000 1.256 384 R HN 0.416 nan 8.270 nan 0.000 0.468 385 N N 0.593 119.276 118.700 -0.029 0.000 2.361 385 N HA 0.525 5.265 4.740 -0.000 0.000 0.302 385 N C -1.069 174.406 175.510 -0.057 0.000 1.074 385 N CA -0.550 52.487 53.050 -0.021 0.000 0.850 385 N CB 2.597 41.079 38.487 -0.009 0.000 1.228 385 N HN 0.510 nan 8.380 nan 0.000 0.491 386 V N -1.078 118.810 119.914 -0.043 0.000 2.760 386 V HA 0.578 4.698 4.120 -0.000 0.000 0.309 386 V C -0.376 175.697 176.094 -0.035 0.000 1.077 386 V CA -0.934 61.333 62.300 -0.056 0.000 0.910 386 V CB 2.064 33.846 31.823 -0.069 0.000 1.008 386 V HN 0.695 nan 8.190 nan 0.000 0.424 387 D N 3.743 124.121 120.400 -0.036 0.000 2.564 387 D HA 0.607 5.247 4.640 -0.000 0.000 0.273 387 D C -0.768 175.517 176.300 -0.026 0.000 1.192 387 D CA -0.503 53.481 54.000 -0.027 0.000 1.080 387 D CB 1.766 42.550 40.800 -0.027 0.000 1.160 387 D HN 0.535 nan 8.370 nan 0.000 0.607 397 A N 0.507 123.200 122.820 -0.212 0.000 1.915 397 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 397 A C 1.861 179.224 177.584 -0.368 0.000 1.198 397 A CA 2.051 53.870 52.037 -0.364 0.000 0.647 397 A CB -1.035 17.598 19.000 -0.612 0.000 0.825 397 A HN 0.527 nan 8.150 nan 0.000 0.456 398 Y N -1.692 118.603 120.300 -0.010 0.000 2.286 398 Y HA -0.025 4.525 4.550 -0.000 0.000 0.293 398 Y C 2.639 178.535 175.900 -0.008 0.000 1.124 398 Y CA 0.997 59.092 58.100 -0.009 0.000 1.178 398 Y CB -0.148 38.307 38.460 -0.008 0.000 1.010 398 Y HN 0.163 nan 8.280 nan 0.000 0.536 399 R N 0.652 121.214 120.500 0.103 0.000 2.081 399 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 399 R C 2.026 178.342 176.300 0.026 0.000 1.131 399 R CA 1.519 57.652 56.100 0.055 0.000 0.960 399 R CB -0.400 29.917 30.300 0.029 0.000 0.856 399 R HN 0.406 nan 8.270 nan 0.000 0.436 400 M N 0.340 119.939 119.600 -0.002 0.000 2.108 400 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 400 M C 2.327 178.626 176.300 -0.002 0.000 1.066 400 M CA 1.364 56.655 55.300 -0.015 0.000 1.107 400 M CB -0.418 32.155 32.600 -0.045 0.000 1.356 400 M HN 0.141 nan 8.290 nan 0.000 0.406 401 L N 0.660 121.890 121.223 0.011 0.000 1.976 401 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 401 L C 2.336 179.234 176.870 0.047 0.000 1.071 401 L CA 1.903 56.762 54.840 0.031 0.000 0.746 401 L CB -0.529 41.578 42.059 0.080 0.000 0.890 401 L HN 0.236 nan 8.230 nan 0.000 0.432 402 M N -0.245 119.395 119.600 0.068 0.000 2.267 402 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 402 M C 2.020 178.373 176.300 0.088 0.000 1.063 402 M CA 1.212 56.556 55.300 0.074 0.000 1.090 402 M CB -1.676 30.966 32.600 0.070 0.000 1.392 402 M HN 0.416 nan 8.290 nan 0.000 0.422 403 N N 0.198 118.934 118.700 0.059 0.000 2.135 403 N HA -0.071 4.669 4.740 -0.000 0.000 0.186 403 N C 1.819 177.382 175.510 0.088 0.000 1.027 403 N CA 0.977 54.065 53.050 0.064 0.000 0.849 403 N CB -0.265 38.233 38.487 0.018 0.000 1.002 403 N HN 0.389 nan 8.380 nan 0.000 0.425 404 R N 1.262 121.785 120.500 0.038 0.000 2.103 404 R HA -0.064 4.276 4.340 -0.000 0.000 0.242 404 R C 2.111 178.429 176.300 0.029 0.000 1.142 404 R CA 1.244 57.348 56.100 0.007 0.000 0.960 404 R CB -0.029 30.250 30.300 -0.036 0.000 0.858 404 R HN 0.284 nan 8.270 nan 0.000 0.439 405 K N -0.117 120.313 120.400 0.049 0.000 1.985 405 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 405 K C 1.934 178.571 176.600 0.062 0.000 1.047 405 K CA 1.622 57.934 56.287 0.041 0.000 0.932 405 K CB -0.435 32.091 32.500 0.043 0.000 0.716 405 K HN 0.089 nan 8.250 nan 0.000 0.439 406 F N 1.976 121.918 119.950 -0.012 0.000 2.184 406 F HA -0.330 4.197 4.527 -0.000 0.000 0.301 406 F C 2.661 178.466 175.800 0.009 0.000 1.076 406 F CA 1.778 59.772 58.000 -0.009 0.000 1.295 406 F CB -0.277 38.717 39.000 -0.011 0.000 1.026 406 F HN 0.021 nan 8.300 nan 0.000 0.494 407 S N -0.332 115.501 115.700 0.222 0.000 2.348 407 S HA -0.289 4.181 4.470 -0.000 0.000 0.221 407 S C 2.093 176.719 174.600 0.044 0.000 1.033 407 S CA 1.747 60.037 58.200 0.151 0.000 1.010 407 S CB -0.557 62.700 63.200 0.095 0.000 0.891 407 S HN 0.654 nan 8.310 nan 0.000 0.442 408 E N 0.294 120.497 120.200 0.005 0.000 2.031 408 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 408 E C 2.219 178.807 176.600 -0.019 0.000 0.994 408 E CA 1.347 57.747 56.400 0.001 0.000 0.800 408 E CB -0.163 29.527 29.700 -0.017 0.000 0.752 408 E HN 0.408 nan 8.360 nan 0.000 0.447 409 E N 0.293 120.444 120.200 -0.081 0.000 2.065 409 E HA -0.274 4.076 4.350 -0.000 0.000 0.201 409 E C 2.036 178.577 176.600 -0.098 0.000 1.016 409 E CA 1.332 57.662 56.400 -0.116 0.000 0.818 409 E CB -0.570 28.995 29.700 -0.224 0.000 0.749 409 E HN 0.395 nan 8.360 nan 0.000 0.453 410 A N 1.179 123.852 122.820 -0.246 0.000 1.978 410 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 410 A C 2.370 180.018 177.584 0.106 0.000 1.170 410 A CA 2.296 54.267 52.037 -0.110 0.000 0.636 410 A CB -0.502 18.383 19.000 -0.192 0.000 0.810 410 A HN 0.294 nan 8.150 nan 0.000 0.448 411 A N 0.222 123.087 122.820 0.075 0.000 1.840 411 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 411 A C 2.539 180.171 177.584 0.079 0.000 1.198 411 A CA 2.216 54.312 52.037 0.098 0.000 0.608 411 A CB -1.106 17.963 19.000 0.115 0.000 0.839 411 A HN 1.005 nan 8.150 nan 0.000 0.443 412 S N -1.705 114.037 115.700 0.070 0.000 2.399 412 S HA -0.238 4.232 4.470 -0.000 0.000 0.231 412 S C 1.733 176.381 174.600 0.081 0.000 1.022 412 S CA 1.469 59.703 58.200 0.056 0.000 0.983 412 S CB -0.822 62.404 63.200 0.044 0.000 0.803 412 S HN 0.730 nan 8.310 nan 0.000 0.480 413 W N 2.401 123.666 121.300 -0.057 0.000 2.317 413 W HA -0.096 4.564 4.660 -0.000 0.000 0.318 413 W C 2.280 178.778 176.519 -0.035 0.000 1.227 413 W CA 1.724 59.036 57.345 -0.056 0.000 1.269 413 W CB -0.497 28.910 29.460 -0.087 0.000 1.155 413 W HN 0.222 nan 8.180 nan 0.000 0.484 414 M N -0.166 119.322 119.600 -0.186 0.000 2.099 414 M HA -0.239 4.241 4.480 -0.000 0.000 0.262 414 M C 2.316 178.464 176.300 -0.253 0.000 1.067 414 M CA 1.795 56.863 55.300 -0.386 0.000 1.124 414 M CB -1.207 31.296 32.600 -0.161 0.000 1.353 414 M HN 0.095 nan 8.290 nan 0.000 0.410 415 Q N 1.275 121.006 119.800 -0.115 0.000 2.096 415 Q HA -0.238 4.102 4.340 -0.000 0.000 0.208 415 Q C 1.562 177.501 176.000 -0.103 0.000 0.993 415 Q CA 2.111 57.867 55.803 -0.078 0.000 0.862 415 Q CB -0.263 28.458 28.738 -0.028 0.000 0.915 415 Q HN 0.610 nan 8.270 nan 0.000 0.416 416 E N -0.482 119.650 120.200 -0.112 0.000 2.015 416 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 416 E C 2.158 178.659 176.600 -0.164 0.000 0.991 416 E CA 0.849 57.188 56.400 -0.103 0.000 0.802 416 E CB -0.067 29.602 29.700 -0.052 0.000 0.759 416 E HN 0.286 nan 8.360 nan 0.000 0.447 417 Q N 0.666 120.274 119.800 -0.319 0.000 2.047 417 Q HA -0.249 4.091 4.340 -0.000 0.000 0.211 417 Q C 2.229 178.097 176.000 -0.219 0.000 1.005 417 Q CA 1.725 57.320 55.803 -0.346 0.000 0.866 417 Q CB -0.529 27.809 28.738 -0.667 0.000 0.938 417 Q HN 0.051 nan 8.270 nan 0.000 0.414 418 R N 0.662 121.032 120.500 -0.218 0.000 2.080 418 R HA -0.091 4.249 4.340 -0.000 0.000 0.236 418 R C 2.066 178.312 176.300 -0.090 0.000 1.137 418 R CA 2.084 58.099 56.100 -0.142 0.000 0.943 418 R CB -1.077 29.144 30.300 -0.130 0.000 0.846 418 R HN 0.237 nan 8.270 nan 0.000 0.431 419 A N -0.196 122.575 122.820 -0.082 0.000 1.917 419 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 419 A C 2.152 179.718 177.584 -0.030 0.000 1.182 419 A CA 2.324 54.333 52.037 -0.047 0.000 0.633 419 A CB -0.893 18.082 19.000 -0.041 0.000 0.819 419 A HN 0.631 nan 8.150 nan 0.000 0.448 420 S N -1.056 114.621 115.700 -0.039 0.000 2.575 420 S HA 0.579 5.049 4.470 -0.000 0.000 0.215 420 S C 0.799 175.400 174.600 0.001 0.000 0.966 420 S CA 0.320 58.511 58.200 -0.016 0.000 0.911 420 S CB -0.517 62.672 63.200 -0.019 0.000 0.780 420 S HN 0.852 nan 8.310 nan 0.000 0.514 421 A N 1.407 124.221 122.820 -0.011 0.000 2.332 421 A HA 0.505 4.825 4.320 -0.000 0.000 0.258 421 A C -0.475 177.159 177.584 0.083 0.000 1.087 421 A CA -0.499 51.548 52.037 0.017 0.000 0.802 421 A CB -0.085 18.895 19.000 -0.032 0.000 1.042 421 A HN 0.528 nan 8.150 nan 0.000 0.489 422 Y N 2.259 122.541 120.300 -0.031 0.000 2.556 422 Y HA 0.463 5.013 4.550 -0.000 0.000 0.352 422 Y C -0.360 175.526 175.900 -0.024 0.000 1.006 422 Y CA -0.665 57.421 58.100 -0.023 0.000 1.277 422 Y CB 0.246 38.695 38.460 -0.018 0.000 1.136 422 Y HN 0.403 nan 8.280 nan 0.000 0.523 423 V N 7.602 127.355 119.914 -0.267 0.000 2.656 423 V HA 0.604 4.724 4.120 -0.000 0.000 0.307 423 V C -1.370 174.524 176.094 -0.333 0.000 1.051 423 V CA -0.779 61.331 62.300 -0.317 0.000 0.893 423 V CB 1.806 33.540 31.823 -0.148 0.000 0.999 423 V HN 0.563 nan 8.190 nan 0.000 0.426 424 K N 6.235 126.433 120.400 -0.338 0.000 2.578 424 K HA 0.507 4.827 4.320 -0.000 0.000 0.250 424 K C -1.473 175.044 176.600 -0.138 0.000 0.955 424 K CA -0.387 55.767 56.287 -0.222 0.000 0.825 424 K CB 1.994 34.340 32.500 -0.257 0.000 1.151 424 K HN 0.527 nan 8.250 nan 0.000 0.432 425 I N 4.252 124.772 120.570 -0.084 0.000 2.304 425 I HA 0.244 4.414 4.170 -0.000 0.000 0.291 425 I C 0.212 176.305 176.117 -0.040 0.000 1.018 425 I CA -0.300 60.967 61.300 -0.055 0.000 1.260 425 I CB 0.686 38.669 38.000 -0.029 0.000 1.390 425 I HN 0.295 nan 8.210 nan 0.000 0.475 426 L N 5.360 126.561 121.223 -0.038 0.000 2.418 426 L HA 0.404 4.744 4.340 -0.000 0.000 0.265 426 L C 1.218 178.077 176.870 -0.018 0.000 1.143 426 L CA -0.396 54.428 54.840 -0.026 0.000 0.809 426 L CB 0.927 42.971 42.059 -0.025 0.000 1.124 426 L HN 0.752 nan 8.230 nan 0.000 0.456 427 S N 1.960 117.652 115.700 -0.014 0.000 2.229 427 S HA -0.012 4.458 4.470 -0.000 0.000 0.221 427 S C 0.476 175.069 174.600 -0.011 0.000 1.316 427 S CA -0.309 57.884 58.200 -0.012 0.000 1.002 427 S CB -0.081 63.112 63.200 -0.010 0.000 0.854 427 S HN 0.781 nan 8.310 nan 0.000 0.451 428 N N 0.000 118.694 118.700 -0.009 0.000 1.763 428 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 428 N CA 0.000 53.045 53.050 -0.009 0.000 0.885 428 N CB 0.000 38.483 38.487 -0.007 0.000 1.341 428 N HN 0.000 nan 8.380 nan 0.000 0.667