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 3nid_1_D DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKGSGDSSQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc RcGPGWLGSQ c 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.892 174.900 -0.013 0.000 0.946 1 G CA 0.000 45.090 45.100 -0.018 0.000 0.502 2 P HA 0.323 nan 4.420 nan 0.000 0.275 2 P C -1.104 176.195 177.300 -0.001 0.000 1.276 2 P CA 0.391 63.489 63.100 -0.004 0.000 0.782 2 P CB 1.046 32.745 31.700 -0.003 0.000 0.851 3 N N 2.868 121.569 118.700 0.003 0.000 3.106 3 N HA 0.097 4.838 4.740 0.000 0.000 0.253 3 N C 0.886 176.405 175.510 0.015 0.000 1.506 3 N CA -0.954 52.101 53.050 0.008 0.000 0.876 3 N CB 0.418 38.909 38.487 0.007 0.000 1.452 3 N HN 0.216 nan 8.380 nan 0.000 0.542 4 I N -2.267 118.315 120.570 0.021 0.000 2.614 4 I HA -0.051 4.119 4.170 0.000 0.000 0.258 4 I C 1.461 177.600 176.117 0.037 0.000 1.189 4 I CA 0.706 62.023 61.300 0.027 0.000 1.462 4 I CB -0.513 37.504 38.000 0.029 0.000 1.092 4 I HN 0.336 nan 8.210 nan 0.000 0.442 5 c N 1.793 120.418 118.600 0.041 0.000 2.466 5 c HA -0.093 4.477 4.570 0.000 0.000 0.278 5 c C 3.188 177.309 174.090 0.051 0.000 1.288 5 c CA 1.614 57.977 56.329 0.057 0.000 1.722 5 c CB -1.217 41.328 42.510 0.057 0.000 2.017 5 c HN 0.721 nan 8.230 nan 0.000 0.488 6 T N -0.675 113.896 114.554 0.029 0.000 2.937 6 T HA -0.109 4.241 4.350 0.000 0.000 0.260 6 T C 1.580 176.293 174.700 0.022 0.000 1.051 6 T CA 1.943 64.054 62.100 0.018 0.000 1.141 6 T CB -0.912 67.956 68.868 -0.001 0.000 0.879 6 T HN 0.608 nan 8.240 nan 0.000 0.459 7 T N -0.311 114.256 114.554 0.021 0.000 3.055 7 T HA 0.143 4.493 4.350 0.000 0.000 0.265 7 T C 2.073 176.788 174.700 0.025 0.000 1.111 7 T CA -0.062 62.049 62.100 0.019 0.000 1.118 7 T CB -0.243 68.634 68.868 0.015 0.000 0.909 7 T HN 0.146 nan 8.240 nan 0.000 0.501 8 R N 1.736 122.256 120.500 0.034 0.000 2.066 8 R HA 0.124 4.464 4.340 0.000 0.000 0.232 8 R C 1.886 178.211 176.300 0.041 0.000 1.131 8 R CA 1.133 57.256 56.100 0.037 0.000 0.955 8 R CB -1.228 29.100 30.300 0.047 0.000 0.851 8 R HN 0.648 nan 8.270 nan 0.000 0.432 9 G N 1.550 110.381 108.800 0.052 0.000 2.370 9 G HA2 -0.215 3.745 3.960 0.000 0.000 0.268 9 G HA3 -0.215 3.745 3.960 0.000 0.000 0.268 9 G C 0.147 175.093 174.900 0.076 0.000 1.122 9 G CA 0.265 45.399 45.100 0.056 0.000 0.963 9 G HN 0.323 nan 8.290 nan 0.000 0.500 10 V N -1.548 118.433 119.914 0.112 0.000 2.715 10 V HA 0.700 4.821 4.120 0.000 0.000 0.299 10 V C 1.183 177.370 176.094 0.155 0.000 1.054 10 V CA 0.771 63.145 62.300 0.123 0.000 1.077 10 V CB 1.513 33.427 31.823 0.152 0.000 0.972 10 V HN 0.573 nan 8.190 nan 0.000 0.484 11 S N 2.435 118.186 115.700 0.084 0.000 2.575 11 S HA 0.214 4.684 4.470 0.000 0.000 0.215 11 S C 0.669 175.289 174.600 0.033 0.000 0.966 11 S CA 0.371 58.618 58.200 0.079 0.000 0.911 11 S CB -0.362 62.860 63.200 0.037 0.000 0.780 11 S HN 1.309 nan 8.310 nan 0.000 0.514 12 S N -1.252 114.384 115.700 -0.106 0.000 2.588 12 S HA 0.324 4.794 4.470 0.000 0.000 0.269 12 S C 0.495 174.511 174.600 -0.973 0.000 1.157 12 S CA -0.613 57.332 58.200 -0.425 0.000 0.824 12 S CB 0.792 63.831 63.200 -0.268 0.000 1.126 12 S HN 0.097 nan 8.310 nan 0.000 0.464 13 c N 0.762 118.482 118.600 -1.467 0.000 2.429 13 c HA -0.065 4.505 4.570 0.000 0.000 0.277 13 c C 2.660 176.380 174.090 -0.616 0.000 1.262 13 c CA 1.975 57.353 56.329 -1.585 0.000 1.733 13 c CB -1.530 40.153 42.510 -1.379 0.000 2.010 13 c HN 1.038 nan 8.230 nan 0.000 0.483 14 Q N -0.156 119.393 119.800 -0.418 0.000 2.084 14 Q HA -0.275 4.066 4.340 0.000 0.000 0.202 14 Q C 2.315 178.223 176.000 -0.154 0.000 0.978 14 Q CA 2.092 57.764 55.803 -0.219 0.000 0.844 14 Q CB -0.354 28.285 28.738 -0.165 0.000 0.898 14 Q HN 0.823 nan 8.270 nan 0.000 0.426 15 Q N -0.650 119.051 119.800 -0.165 0.000 2.167 15 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 15 Q C 2.225 178.207 176.000 -0.029 0.000 0.970 15 Q CA 1.439 57.194 55.803 -0.080 0.000 0.855 15 Q CB -0.218 28.482 28.738 -0.065 0.000 0.911 15 Q HN 0.580 nan 8.270 nan 0.000 0.438 16 c N -0.170 118.409 118.600 -0.036 0.000 2.453 16 c HA -0.047 4.523 4.570 0.000 0.000 0.277 16 c C 2.402 176.548 174.090 0.093 0.000 1.262 16 c CA 0.526 56.917 56.329 0.103 0.000 1.718 16 c CB -1.040 41.650 42.510 0.300 0.000 2.031 16 c HN 0.616 nan 8.230 nan 0.000 0.480 17 L N 1.290 122.540 121.223 0.045 0.000 2.131 17 L HA -0.052 4.288 4.340 0.000 0.000 0.210 17 L C 2.936 179.826 176.870 0.035 0.000 1.092 17 L CA 1.497 56.369 54.840 0.054 0.000 0.759 17 L CB -0.763 41.306 42.059 0.016 0.000 0.903 17 L HN 0.465 nan 8.230 nan 0.000 0.435 18 A N -0.501 122.325 122.820 0.011 0.000 2.119 18 A HA -0.042 4.278 4.320 0.000 0.000 0.217 18 A C 2.299 179.896 177.584 0.022 0.000 1.153 18 A CA 0.814 52.856 52.037 0.008 0.000 0.692 18 A CB -0.426 18.567 19.000 -0.011 0.000 0.799 18 A HN 0.190 nan 8.150 nan 0.000 0.458 19 V N -0.845 119.092 119.914 0.038 0.000 2.307 19 V HA -0.030 4.090 4.120 0.000 0.000 0.245 19 V C 1.229 177.351 176.094 0.046 0.000 1.045 19 V CA 1.873 64.199 62.300 0.043 0.000 1.024 19 V CB -0.316 31.543 31.823 0.059 0.000 0.651 19 V HN 0.606 nan 8.190 nan 0.000 0.449 20 S N -2.529 113.208 115.700 0.061 0.000 2.558 20 S HA 0.377 4.847 4.470 0.000 0.000 0.277 20 S C -2.664 171.986 174.600 0.084 0.000 1.143 20 S CA -0.661 57.578 58.200 0.065 0.000 0.865 20 S CB 1.877 65.118 63.200 0.068 0.000 1.102 20 S HN 0.021 nan 8.310 nan 0.000 0.454 21 P HA 0.019 nan 4.420 nan 0.000 0.228 21 P C 1.356 178.754 177.300 0.164 0.000 1.151 21 P CA 0.630 63.767 63.100 0.062 0.000 0.770 21 P CB 0.010 31.726 31.700 0.028 0.000 0.786 22 M N -1.375 118.339 119.600 0.189 0.000 2.254 22 M HA -0.036 4.444 4.480 0.000 0.000 0.265 22 M C 0.135 176.618 176.300 0.306 0.000 1.066 22 M CA 0.972 56.420 55.300 0.248 0.000 1.123 22 M CB -0.209 32.468 32.600 0.128 0.000 1.388 22 M HN -0.174 nan 8.290 nan 0.000 0.425 23 c N 2.337 121.088 118.600 0.252 0.000 2.644 23 c HA 0.584 5.154 4.570 0.000 0.000 0.417 23 c C 0.718 175.016 174.090 0.346 0.000 1.304 23 c CA -0.965 55.495 56.329 0.218 0.000 2.035 23 c CB -0.270 42.343 42.510 0.172 0.000 2.673 23 c HN 0.528 nan 8.230 nan 0.000 0.602 24 A N 3.385 126.337 122.820 0.219 0.000 2.423 24 A HA 0.848 5.168 4.320 0.000 0.000 0.304 24 A C -1.186 176.553 177.584 0.258 0.000 1.104 24 A CA -0.441 51.756 52.037 0.267 0.000 0.757 24 A CB 1.217 20.209 19.000 -0.013 0.000 1.313 24 A HN 0.975 nan 8.150 nan 0.000 0.423 25 W N 1.374 122.718 121.300 0.073 0.000 2.736 25 W HA 0.524 5.184 4.660 0.000 0.000 0.335 25 W C -1.421 175.109 176.519 0.018 0.000 1.059 25 W CA -0.761 56.604 57.345 0.033 0.000 1.226 25 W CB 1.785 31.263 29.460 0.030 0.000 1.416 25 W HN 0.825 nan 8.180 nan 0.000 0.505 26 c N 5.516 123.761 118.600 -0.590 0.000 2.264 26 c HA 0.361 4.931 4.570 0.000 0.000 0.324 26 c C 1.374 175.143 174.090 -0.534 0.000 1.267 26 c CA -0.043 56.037 56.329 -0.414 0.000 1.618 26 c CB -0.150 42.153 42.510 -0.346 0.000 2.278 26 c HN 0.618 nan 8.230 nan 0.000 0.499 27 S N 2.353 118.013 115.700 -0.066 0.000 2.577 27 S HA 0.079 4.549 4.470 0.000 0.000 0.219 27 S C 0.067 174.682 174.600 0.025 0.000 0.962 27 S CA -0.125 58.133 58.200 0.098 0.000 0.921 27 S CB -0.431 62.905 63.200 0.227 0.000 0.789 27 S HN 0.884 nan 8.310 nan 0.000 0.497 28 D N 2.533 122.916 120.400 -0.028 0.000 2.472 28 D HA 0.054 4.694 4.640 0.000 0.000 0.248 28 D C 0.994 177.306 176.300 0.021 0.000 1.174 28 D CA 0.382 54.380 54.000 -0.003 0.000 0.883 28 D CB 0.636 41.418 40.800 -0.031 0.000 1.149 28 D HN 0.362 nan 8.370 nan 0.000 0.488 29 E N 2.377 122.621 120.200 0.073 0.000 2.150 29 E HA -0.091 4.259 4.350 0.000 0.000 0.193 29 E C 0.545 177.188 176.600 0.071 0.000 0.985 29 E CA 0.730 57.204 56.400 0.123 0.000 0.814 29 E CB 0.085 29.892 29.700 0.178 0.000 0.752 29 E HN 0.471 nan 8.360 nan 0.000 0.466 30 A N 1.610 124.454 122.820 0.040 0.000 3.215 30 A HA 0.276 4.596 4.320 0.000 0.000 0.269 30 A C -0.379 177.204 177.584 -0.002 0.000 1.517 30 A CA -0.227 51.822 52.037 0.019 0.000 1.221 30 A CB -0.316 18.694 19.000 0.017 0.000 1.160 30 A HN 0.058 nan 8.150 nan 0.000 0.620 31 L N 1.053 122.269 121.223 -0.012 0.000 2.334 31 L HA 0.692 5.032 4.340 0.000 0.000 0.272 31 L C -2.350 174.501 176.870 -0.032 0.000 1.020 31 L CA -1.841 52.977 54.840 -0.037 0.000 0.812 31 L CB 1.103 43.120 42.059 -0.071 0.000 1.264 31 L HN 0.193 nan 8.230 nan 0.000 0.439 32 P HA 0.094 nan 4.420 nan 0.000 0.271 32 P C 0.421 177.700 177.300 -0.035 0.000 1.216 32 P CA -0.377 62.705 63.100 -0.031 0.000 0.776 32 P CB 0.630 32.311 31.700 -0.033 0.000 0.881 33 L N 3.375 124.584 121.223 -0.024 0.000 2.131 33 L HA -0.026 4.314 4.340 0.000 0.000 0.210 33 L C 2.048 178.903 176.870 -0.027 0.000 1.092 33 L CA 2.349 57.176 54.840 -0.022 0.000 0.759 33 L CB -1.392 40.659 42.059 -0.013 0.000 0.903 33 L HN 0.566 nan 8.230 nan 0.000 0.435 34 G N -1.698 107.086 108.800 -0.027 0.000 2.471 34 G HA2 -0.170 3.790 3.960 0.000 0.000 0.219 34 G HA3 -0.170 3.790 3.960 0.000 0.000 0.219 34 G C 0.904 175.781 174.900 -0.038 0.000 1.125 34 G CA 0.607 45.691 45.100 -0.027 0.000 0.775 34 G HN 0.407 nan 8.290 nan 0.000 0.548 35 S N 1.784 117.454 115.700 -0.051 0.000 2.528 35 S HA 0.435 4.905 4.470 0.000 0.000 0.277 35 S C -2.165 172.380 174.600 -0.092 0.000 1.297 35 S CA -1.324 56.835 58.200 -0.069 0.000 1.052 35 S CB 1.069 64.223 63.200 -0.077 0.000 0.917 35 S HN 0.088 nan 8.310 nan 0.000 0.492 36 P HA 0.280 nan 4.420 nan 0.000 0.282 36 P C 0.107 177.288 177.300 -0.198 0.000 1.262 36 P CA -0.406 62.628 63.100 -0.110 0.000 0.773 36 P CB 0.686 32.345 31.700 -0.067 0.000 0.879 37 R N 1.217 121.526 120.500 -0.319 0.000 2.189 37 R HA 0.028 4.368 4.340 0.000 0.000 0.218 37 R C 0.560 176.510 176.300 -0.583 0.000 1.074 37 R CA 0.631 56.333 56.100 -0.663 0.000 0.991 37 R CB -0.142 29.439 30.300 -1.199 0.000 0.883 37 R HN 0.454 nan 8.270 nan 0.000 0.457 38 c N 1.873 120.348 118.600 -0.209 0.000 2.239 38 c HA 0.390 4.960 4.570 0.000 0.000 0.323 38 c C -0.677 173.420 174.090 0.012 0.000 1.205 38 c CA -0.590 55.767 56.329 0.046 0.000 1.584 38 c CB -0.348 42.308 42.510 0.244 0.000 2.201 38 c HN 0.316 nan 8.230 nan 0.000 0.475 39 D N 2.470 122.869 120.400 -0.002 0.000 2.759 39 D HA 0.394 5.035 4.640 0.000 0.000 0.321 39 D C -0.848 175.433 176.300 -0.032 0.000 1.267 39 D CA -0.386 53.601 54.000 -0.021 0.000 0.933 39 D CB 1.271 42.037 40.800 -0.057 0.000 1.431 39 D HN 0.491 nan 8.370 nan 0.000 0.504 40 L N 1.683 122.873 121.223 -0.056 0.000 2.483 40 L HA 0.150 4.490 4.340 0.000 0.000 0.276 40 L C 2.049 178.803 176.870 -0.192 0.000 1.213 40 L CA -0.016 54.756 54.840 -0.114 0.000 0.843 40 L CB 0.355 42.358 42.059 -0.092 0.000 1.107 40 L HN 0.528 nan 8.230 nan 0.000 0.487 41 K N 1.499 121.677 120.400 -0.370 0.000 2.113 41 K HA -0.221 4.099 4.320 0.000 0.000 0.208 41 K C 1.549 178.017 176.600 -0.220 0.000 1.047 41 K CA 1.859 57.914 56.287 -0.388 0.000 0.928 41 K CB 0.189 32.271 32.500 -0.696 0.000 0.716 41 K HN 0.625 nan 8.250 nan 0.000 0.446 42 E N 0.638 120.728 120.200 -0.183 0.000 2.047 42 E HA -0.131 4.219 4.350 0.000 0.000 0.191 42 E C 1.753 178.299 176.600 -0.090 0.000 0.987 42 E CA 1.390 57.721 56.400 -0.114 0.000 0.799 42 E CB -0.162 29.485 29.700 -0.089 0.000 0.752 42 E HN 0.360 nan 8.360 nan 0.000 0.449 43 N N 0.030 118.676 118.700 -0.089 0.000 2.244 43 N HA -0.076 4.664 4.740 0.000 0.000 0.183 43 N C 1.684 177.147 175.510 -0.078 0.000 1.016 43 N CA 0.689 53.696 53.050 -0.072 0.000 0.866 43 N CB -0.099 38.350 38.487 -0.063 0.000 0.980 43 N HN 0.173 nan 8.380 nan 0.000 0.430 44 L N 0.163 121.329 121.223 -0.095 0.000 2.109 44 L HA -0.014 4.326 4.340 0.000 0.000 0.207 44 L C 2.073 178.894 176.870 -0.083 0.000 1.086 44 L CA 0.567 55.348 54.840 -0.099 0.000 0.760 44 L CB -0.349 41.641 42.059 -0.115 0.000 0.910 44 L HN 0.094 nan 8.230 nan 0.000 0.437 45 L N -0.190 120.986 121.223 -0.078 0.000 2.083 45 L HA -0.220 4.120 4.340 0.000 0.000 0.209 45 L C 2.551 179.392 176.870 -0.050 0.000 1.083 45 L CA 1.399 56.204 54.840 -0.060 0.000 0.752 45 L CB -0.402 41.622 42.059 -0.058 0.000 0.899 45 L HN 0.201 nan 8.230 nan 0.000 0.433 46 K N -0.175 120.195 120.400 -0.051 0.000 2.147 46 K HA -0.136 4.184 4.320 0.000 0.000 0.205 46 K C 0.408 176.984 176.600 -0.041 0.000 1.049 46 K CA 1.110 57.372 56.287 -0.042 0.000 0.936 46 K CB -0.103 32.372 32.500 -0.041 0.000 0.722 46 K HN 0.230 nan 8.250 nan 0.000 0.446 47 D N 0.815 121.186 120.400 -0.050 0.000 2.706 47 D HA 0.056 4.697 4.640 0.000 0.000 0.236 47 D C -0.695 175.575 176.300 -0.049 0.000 1.231 47 D CA 0.009 53.979 54.000 -0.050 0.000 0.828 47 D CB -0.072 40.691 40.800 -0.061 0.000 1.015 47 D HN 0.065 nan 8.370 nan 0.000 0.484 48 N N -0.606 118.069 118.700 -0.041 0.000 2.741 48 N HA -0.210 4.530 4.740 0.000 0.000 0.250 48 N C -0.425 175.062 175.510 -0.038 0.000 1.115 48 N CA 0.326 53.356 53.050 -0.034 0.000 0.724 48 N CB -2.159 36.311 38.487 -0.028 0.000 1.090 48 N HN 0.381 nan 8.380 nan 0.000 0.558 49 c N 0.943 119.513 118.600 -0.049 0.000 2.499 49 c HA 0.671 5.241 4.570 0.000 0.000 0.386 49 c C 1.341 175.412 174.090 -0.033 0.000 1.293 49 c CA -0.393 55.904 56.329 -0.052 0.000 1.884 49 c CB -0.893 41.570 42.510 -0.078 0.000 2.509 49 c HN 0.548 nan 8.230 nan 0.000 0.566 50 A N 8.347 131.155 122.820 -0.020 0.000 2.548 50 A HA 0.292 4.612 4.320 0.000 0.000 0.247 50 A C -1.138 176.445 177.584 -0.002 0.000 1.067 50 A CA -0.500 51.534 52.037 -0.006 0.000 0.757 50 A CB -0.142 18.861 19.000 0.005 0.000 0.996 50 A HN 0.819 nan 8.150 nan 0.000 0.504 51 P HA -0.197 nan 4.420 nan 0.000 0.217 51 P C 0.933 178.246 177.300 0.021 0.000 1.151 51 P CA 1.741 64.846 63.100 0.007 0.000 0.849 51 P CB 0.152 31.856 31.700 0.007 0.000 0.787 52 E N -1.056 119.158 120.200 0.023 0.000 2.268 52 E HA -0.046 4.304 4.350 0.000 0.000 0.195 52 E C 1.571 178.195 176.600 0.041 0.000 0.995 52 E CA 0.869 57.288 56.400 0.031 0.000 0.836 52 E CB -0.309 29.408 29.700 0.028 0.000 0.763 52 E HN 0.222 nan 8.360 nan 0.000 0.491 53 S N 0.379 116.101 115.700 0.036 0.000 2.548 53 S HA 0.133 4.603 4.470 0.000 0.000 0.215 53 S C 0.736 175.375 174.600 0.064 0.000 0.976 53 S CA -0.039 58.189 58.200 0.047 0.000 0.908 53 S CB 0.184 63.402 63.200 0.029 0.000 0.781 53 S HN 0.121 nan 8.310 nan 0.000 0.519 54 I N 2.401 123.006 120.570 0.059 0.000 2.529 54 I HA 0.141 4.311 4.170 0.000 0.000 0.284 54 I C 0.231 176.434 176.117 0.144 0.000 1.082 54 I CA 0.018 61.367 61.300 0.082 0.000 1.406 54 I CB 0.614 38.643 38.000 0.048 0.000 1.405 54 I HN -0.022 nan 8.210 nan 0.000 0.548 55 E N 6.401 126.728 120.200 0.212 0.000 2.102 55 E HA 0.275 4.625 4.350 0.000 0.000 0.263 55 E C -1.368 175.420 176.600 0.313 0.000 0.894 55 E CA -0.390 56.148 56.400 0.231 0.000 0.746 55 E CB 1.816 31.659 29.700 0.238 0.000 1.129 55 E HN 0.330 nan 8.360 nan 0.000 0.416 56 F N 4.819 124.809 119.950 0.067 0.000 2.931 56 F HA 0.337 4.864 4.527 0.000 0.000 0.375 56 F C -2.483 173.339 175.800 0.037 0.000 1.243 56 F CA -2.405 55.628 58.000 0.054 0.000 1.206 56 F CB 0.995 40.022 39.000 0.045 0.000 1.643 56 F HN 0.116 nan 8.300 nan 0.000 0.593 57 P HA 0.245 nan 4.420 nan 0.000 0.267 57 P C -0.986 176.039 177.300 -0.459 0.000 1.205 57 P CA -0.009 62.947 63.100 -0.239 0.000 0.765 57 P CB 1.126 32.744 31.700 -0.137 0.000 0.828 58 V N 2.783 122.506 119.914 -0.319 0.000 2.417 58 V HA 0.211 4.331 4.120 0.000 0.000 0.291 58 V C 0.395 176.394 176.094 -0.159 0.000 1.024 58 V CA -0.562 61.565 62.300 -0.289 0.000 0.861 58 V CB 1.631 33.343 31.823 -0.183 0.000 0.985 58 V HN 0.474 nan 8.190 nan 0.000 0.436 59 S N 4.712 120.332 115.700 -0.133 0.000 2.498 59 S HA 0.278 4.748 4.470 0.000 0.000 0.281 59 S C 0.105 174.670 174.600 -0.058 0.000 1.265 59 S CA -0.342 57.809 58.200 -0.081 0.000 1.071 59 S CB 0.022 63.189 63.200 -0.055 0.000 0.894 59 S HN 0.933 nan 8.310 nan 0.000 0.491 60 E N 1.360 121.525 120.200 -0.057 0.000 2.423 60 E HA 0.817 5.167 4.350 0.000 0.000 0.269 60 E C -1.363 175.208 176.600 -0.048 0.000 0.948 60 E CA -1.527 54.848 56.400 -0.043 0.000 0.802 60 E CB 1.782 31.454 29.700 -0.046 0.000 1.339 60 E HN 0.466 nan 8.360 nan 0.000 0.445 61 A N 1.466 124.264 122.820 -0.037 0.000 2.446 61 A HA 0.503 4.823 4.320 0.000 0.000 0.282 61 A C -0.997 176.552 177.584 -0.059 0.000 1.102 61 A CA -0.685 51.316 52.037 -0.060 0.000 0.737 61 A CB 1.098 20.097 19.000 -0.002 0.000 1.212 61 A HN 0.571 nan 8.150 nan 0.000 0.434 62 R N 2.539 122.986 120.500 -0.088 0.000 2.514 62 R HA 0.652 4.992 4.340 0.000 0.000 0.301 62 R C -1.198 175.050 176.300 -0.087 0.000 0.962 62 R CA -0.436 55.622 56.100 -0.070 0.000 0.882 62 R CB 1.571 31.832 30.300 -0.065 0.000 1.143 62 R HN 0.455 nan 8.270 nan 0.000 0.452 63 V N 6.149 126.026 119.914 -0.061 0.000 2.530 63 V HA 0.075 4.195 4.120 0.000 0.000 0.282 63 V C 0.535 176.593 176.094 -0.059 0.000 1.048 63 V CA -0.174 62.088 62.300 -0.063 0.000 0.997 63 V CB 1.358 33.160 31.823 -0.035 0.000 0.987 63 V HN 0.767 nan 8.190 nan 0.000 0.477 64 L N 3.229 124.410 121.223 -0.070 0.000 2.467 64 L HA 0.373 4.713 4.340 0.000 0.000 0.213 64 L C 0.777 177.620 176.870 -0.045 0.000 1.053 64 L CA 0.888 55.692 54.840 -0.059 0.000 0.847 64 L CB -0.151 41.863 42.059 -0.074 0.000 1.075 64 L HN 0.663 nan 8.230 nan 0.000 0.479 65 E N -0.545 119.628 120.200 -0.045 0.000 2.260 65 E HA 0.289 4.639 4.350 0.000 0.000 0.266 65 E C -1.045 175.541 176.600 -0.022 0.000 0.887 65 E CA -0.112 56.270 56.400 -0.030 0.000 0.777 65 E CB 2.048 31.730 29.700 -0.030 0.000 1.205 65 E HN -0.154 nan 8.360 nan 0.000 0.414 66 D N 2.720 123.114 120.400 -0.011 0.000 2.945 66 D HA 0.101 4.741 4.640 0.000 0.000 0.369 66 D C -0.657 175.646 176.300 0.006 0.000 1.294 66 D CA -0.371 53.628 54.000 -0.002 0.000 0.778 66 D CB 0.248 41.047 40.800 -0.002 0.000 1.188 66 D HN 0.203 nan 8.370 nan 0.000 0.479 67 R N 1.133 121.638 120.500 0.008 0.000 2.640 67 R HA 0.190 4.530 4.340 0.000 0.000 0.270 67 R C -2.124 174.187 176.300 0.019 0.000 1.024 67 R CA -0.956 55.152 56.100 0.014 0.000 1.085 67 R CB 0.192 30.502 30.300 0.017 0.000 0.963 67 R HN 0.177 nan 8.270 nan 0.000 0.426 68 P HA -0.032 nan 4.420 nan 0.000 0.268 68 P C -0.354 176.963 177.300 0.029 0.000 1.205 68 P CA 0.091 63.204 63.100 0.022 0.000 0.771 68 P CB 0.441 32.153 31.700 0.020 0.000 0.858 69 L N 1.755 122.997 121.223 0.032 0.000 2.525 69 L HA 0.012 4.352 4.340 0.000 0.000 0.278 69 L C 0.949 177.842 176.870 0.038 0.000 1.218 69 L CA 0.383 55.246 54.840 0.040 0.000 0.878 69 L CB -0.125 41.959 42.059 0.041 0.000 1.127 69 L HN 0.397 nan 8.230 nan 0.000 0.492 70 S N 1.632 117.359 115.700 0.045 0.000 2.564 70 S HA 0.022 4.492 4.470 0.000 0.000 0.278 70 S C 0.682 175.307 174.600 0.042 0.000 1.333 70 S CA -0.724 57.502 58.200 0.045 0.000 1.048 70 S CB 0.910 64.144 63.200 0.057 0.000 0.900 70 S HN 0.578 nan 8.310 nan 0.000 0.505 71 D N 1.314 121.737 120.400 0.038 0.000 2.183 71 D HA 0.040 4.680 4.640 0.000 0.000 0.205 71 D C 0.164 176.490 176.300 0.042 0.000 0.962 71 D CA 1.074 55.095 54.000 0.035 0.000 0.849 71 D CB 0.330 41.148 40.800 0.028 0.000 0.978 71 D HN 0.338 nan 8.370 nan 0.000 0.488 72 K N -0.300 120.130 120.400 0.049 0.000 2.375 72 K HA 0.482 4.802 4.320 0.000 0.000 0.249 72 K C 0.442 177.090 176.600 0.081 0.000 0.942 72 K CA -0.700 55.623 56.287 0.060 0.000 0.806 72 K CB 2.234 34.761 32.500 0.045 0.000 1.227 72 K HN -0.114 nan 8.250 nan 0.000 0.430 73 G N 0.601 109.470 108.800 0.116 0.000 3.434 73 G HA2 0.016 3.976 3.960 0.000 0.000 0.258 73 G HA3 0.016 3.976 3.960 0.000 0.000 0.258 73 G C 0.344 175.280 174.900 0.061 0.000 1.128 73 G CA -0.186 45.012 45.100 0.164 0.000 0.792 73 G HN 0.513 nan 8.290 nan 0.000 0.539 74 S N -0.962 114.760 115.700 0.036 0.000 2.686 74 S HA 0.763 5.233 4.470 0.000 0.000 0.270 74 S C 1.251 175.851 174.600 0.000 0.000 1.194 74 S CA 0.276 58.478 58.200 0.003 0.000 0.990 74 S CB 1.458 64.663 63.200 0.009 0.000 1.029 74 S HN 1.445 nan 8.310 nan 0.000 0.560 75 G N 0.865 109.660 108.800 -0.008 0.000 2.609 75 G HA2 -0.254 3.707 3.960 0.000 0.000 0.288 75 G HA3 -0.254 3.707 3.960 0.000 0.000 0.288 75 G C -0.398 174.497 174.900 -0.009 0.000 1.211 75 G CA 0.387 45.485 45.100 -0.004 0.000 0.963 75 G HN 0.937 nan 8.290 nan 0.000 0.541 76 D N 2.111 122.511 120.400 -0.001 0.000 2.494 76 D HA 0.551 5.191 4.640 0.000 0.000 0.217 76 D C -0.022 176.278 176.300 -0.000 0.000 1.153 76 D CA 0.184 54.184 54.000 -0.000 0.000 0.954 76 D CB 0.049 40.853 40.800 0.008 0.000 1.034 76 D HN 0.266 nan 8.370 nan 0.000 0.518 77 S N 1.655 117.341 115.700 -0.023 0.000 2.416 77 S HA 0.309 4.779 4.470 0.000 0.000 0.287 77 S C -0.142 174.452 174.600 -0.010 0.000 1.139 77 S CA -0.377 57.801 58.200 -0.037 0.000 1.058 77 S CB 0.772 63.895 63.200 -0.128 0.000 0.967 77 S HN 0.228 nan 8.310 nan 0.000 0.495 78 S N 3.028 118.740 115.700 0.020 0.000 2.746 78 S HA 0.245 4.715 4.470 0.000 0.000 0.273 78 S C -0.088 174.542 174.600 0.050 0.000 1.172 78 S CA -0.574 57.655 58.200 0.048 0.000 1.116 78 S CB 1.209 64.466 63.200 0.096 0.000 1.057 78 S HN 0.538 nan 8.310 nan 0.000 0.483 79 Q N 1.565 121.391 119.800 0.044 0.000 2.201 79 Q HA 0.275 4.615 4.340 0.000 0.000 0.217 79 Q C 0.071 176.103 176.000 0.054 0.000 0.860 79 Q CA -0.007 55.822 55.803 0.043 0.000 0.984 79 Q CB 0.287 29.043 28.738 0.030 0.000 1.095 79 Q HN 0.512 nan 8.270 nan 0.000 0.477 80 V N 1.075 121.035 119.914 0.078 0.000 2.655 80 V HA 0.092 4.212 4.120 0.000 0.000 0.300 80 V C 0.473 176.618 176.094 0.086 0.000 1.044 80 V CA 0.363 62.722 62.300 0.099 0.000 1.095 80 V CB 1.174 33.103 31.823 0.177 0.000 0.952 80 V HN 0.156 nan 8.190 nan 0.000 0.485 81 T N 5.466 120.063 114.554 0.071 0.000 2.791 81 T HA 0.348 4.698 4.350 0.000 0.000 0.288 81 T C 0.497 175.241 174.700 0.073 0.000 0.999 81 T CA -0.401 61.739 62.100 0.066 0.000 0.952 81 T CB 1.370 70.269 68.868 0.051 0.000 0.938 81 T HN 0.766 nan 8.240 nan 0.000 0.444 82 Q N 1.404 121.262 119.800 0.098 0.000 2.280 82 Q HA 0.303 4.643 4.340 0.000 0.000 0.228 82 Q C 0.035 176.132 176.000 0.162 0.000 0.857 82 Q CA 0.062 55.955 55.803 0.150 0.000 0.939 82 Q CB 1.070 29.945 28.738 0.228 0.000 1.114 82 Q HN 0.366 nan 8.270 nan 0.000 0.514 83 V N 0.476 120.456 119.914 0.110 0.000 2.656 83 V HA 0.535 4.655 4.120 0.000 0.000 0.307 83 V C -0.872 175.255 176.094 0.055 0.000 1.051 83 V CA -0.698 61.643 62.300 0.069 0.000 0.893 83 V CB 2.025 33.876 31.823 0.046 0.000 0.999 83 V HN 0.036 nan 8.190 nan 0.000 0.426 84 S N 6.066 121.798 115.700 0.053 0.000 2.575 84 S HA 0.716 5.186 4.470 0.000 0.000 0.278 84 S C -2.935 171.698 174.600 0.054 0.000 1.139 84 S CA -1.221 57.006 58.200 0.044 0.000 0.954 84 S CB 2.575 65.799 63.200 0.040 0.000 1.054 84 S HN 0.516 nan 8.310 nan 0.000 0.483 85 P HA 0.355 nan 4.420 nan 0.000 0.277 85 P C -0.307 176.995 177.300 0.004 0.000 1.276 85 P CA -0.153 62.957 63.100 0.016 0.000 0.788 85 P CB 0.605 32.304 31.700 -0.001 0.000 1.114 86 Q N -1.505 118.287 119.800 -0.014 0.000 2.392 86 Q HA 0.222 4.562 4.340 0.000 0.000 0.219 86 Q C 0.739 176.703 176.000 -0.060 0.000 0.895 86 Q CA 0.752 56.541 55.803 -0.023 0.000 0.929 86 Q CB 0.538 29.270 28.738 -0.010 0.000 1.077 86 Q HN 0.327 nan 8.270 nan 0.000 0.532 87 R N 0.958 121.411 120.500 -0.077 0.000 2.522 87 R HA 0.491 4.831 4.340 0.000 0.000 0.283 87 R C -1.605 174.609 176.300 -0.143 0.000 1.074 87 R CA -0.403 55.625 56.100 -0.120 0.000 0.925 87 R CB 1.066 31.309 30.300 -0.096 0.000 1.205 87 R HN 0.218 nan 8.270 nan 0.000 0.436 88 I N 0.428 120.866 120.570 -0.220 0.000 2.785 88 I HA 0.813 4.983 4.170 0.000 0.000 0.302 88 I C -0.982 174.974 176.117 -0.268 0.000 1.069 88 I CA -1.057 60.096 61.300 -0.244 0.000 1.045 88 I CB 2.455 40.256 38.000 -0.332 0.000 1.236 88 I HN 0.649 nan 8.210 nan 0.000 0.429 89 A N 5.520 128.211 122.820 -0.215 0.000 2.260 89 A HA 0.722 5.042 4.320 0.000 0.000 0.314 89 A C -1.051 176.403 177.584 -0.216 0.000 1.257 89 A CA -0.467 51.451 52.037 -0.199 0.000 0.871 89 A CB 0.991 19.907 19.000 -0.139 0.000 1.166 89 A HN 0.695 nan 8.150 nan 0.000 0.522 90 L N 3.159 124.238 121.223 -0.241 0.000 2.319 90 L HA 0.533 4.873 4.340 0.000 0.000 0.281 90 L C -0.109 176.639 176.870 -0.204 0.000 1.005 90 L CA -0.073 54.634 54.840 -0.223 0.000 0.828 90 L CB 1.217 43.121 42.059 -0.258 0.000 1.227 90 L HN 0.742 nan 8.230 nan 0.000 0.415 91 R N 5.908 126.315 120.500 -0.156 0.000 2.338 91 R HA 0.696 5.036 4.340 0.000 0.000 0.317 91 R C -1.416 174.810 176.300 -0.123 0.000 0.968 91 R CA -0.664 55.346 56.100 -0.151 0.000 0.849 91 R CB 1.379 31.613 30.300 -0.109 0.000 1.128 91 R HN 0.564 nan 8.270 nan 0.000 0.448 92 L N 3.986 125.127 121.223 -0.137 0.000 2.385 92 L HA 0.543 4.883 4.340 0.000 0.000 0.273 92 L C 0.140 177.020 176.870 0.016 0.000 0.990 92 L CA -0.992 53.818 54.840 -0.050 0.000 0.821 92 L CB 2.021 44.068 42.059 -0.020 0.000 1.279 92 L HN 0.569 nan 8.230 nan 0.000 0.412 93 R N 2.002 122.505 120.500 0.005 0.000 2.549 93 R HA 0.627 4.967 4.340 0.000 0.000 0.267 93 R C -2.687 173.644 176.300 0.052 0.000 1.045 93 R CA -1.918 54.194 56.100 0.020 0.000 1.115 93 R CB 0.111 30.386 30.300 -0.041 0.000 1.121 93 R HN 0.158 nan 8.270 nan 0.000 0.543 94 P HA -0.066 nan 4.420 nan 0.000 0.264 94 P C -0.838 176.483 177.300 0.034 0.000 1.183 94 P CA 0.606 63.732 63.100 0.043 0.000 0.763 94 P CB 0.219 31.929 31.700 0.018 0.000 0.807 95 D N -0.944 119.476 120.400 0.035 0.000 2.983 95 D HA -0.192 4.448 4.640 0.000 0.000 0.225 95 D C 0.040 176.357 176.300 0.029 0.000 1.174 95 D CA 1.397 55.413 54.000 0.027 0.000 0.831 95 D CB -0.936 39.875 40.800 0.019 0.000 1.104 95 D HN 0.425 nan 8.370 nan 0.000 0.421 96 D N -0.461 119.960 120.400 0.035 0.000 2.326 96 D HA 0.561 5.201 4.640 0.000 0.000 0.248 96 D C -0.316 176.001 176.300 0.029 0.000 1.001 96 D CA -0.355 53.659 54.000 0.024 0.000 0.961 96 D CB 1.431 42.236 40.800 0.009 0.000 1.183 96 D HN 0.021 nan 8.370 nan 0.000 0.502 97 S N 0.790 116.501 115.700 0.019 0.000 2.542 97 S HA 0.783 5.253 4.470 0.000 0.000 0.293 97 S C -0.725 173.886 174.600 0.019 0.000 1.089 97 S CA -0.837 57.374 58.200 0.019 0.000 0.961 97 S CB 2.537 65.740 63.200 0.005 0.000 1.062 97 S HN 0.316 nan 8.310 nan 0.000 0.483 98 K N 1.418 121.840 120.400 0.038 0.000 2.508 98 K HA 0.528 4.848 4.320 0.000 0.000 0.260 98 K C -1.490 175.162 176.600 0.087 0.000 0.949 98 K CA -0.552 55.767 56.287 0.054 0.000 0.834 98 K CB 1.553 34.086 32.500 0.056 0.000 1.365 98 K HN 0.915 nan 8.250 nan 0.000 0.437 99 N N 2.226 120.969 118.700 0.073 0.000 2.335 99 N HA 0.604 5.344 4.740 0.000 0.000 0.304 99 N C -0.840 174.758 175.510 0.148 0.000 1.135 99 N CA -0.414 52.641 53.050 0.008 0.000 0.817 99 N CB 1.365 39.809 38.487 -0.072 0.000 1.294 99 N HN 0.473 nan 8.380 nan 0.000 0.497 100 F N -1.949 117.979 119.950 -0.036 0.000 2.754 100 F HA 0.779 5.306 4.527 0.000 0.000 0.320 100 F C -0.901 174.894 175.800 -0.009 0.000 1.156 100 F CA -0.981 57.004 58.000 -0.025 0.000 0.950 100 F CB 1.245 40.226 39.000 -0.032 0.000 1.388 100 F HN 0.364 nan 8.300 nan 0.000 0.485 101 S N 0.697 116.509 115.700 0.186 0.000 2.632 101 S HA 0.767 5.237 4.470 0.000 0.000 0.289 101 S C -1.587 173.130 174.600 0.195 0.000 1.115 101 S CA -0.752 57.507 58.200 0.098 0.000 0.889 101 S CB 2.091 65.331 63.200 0.067 0.000 1.116 101 S HN 0.772 nan 8.310 nan 0.000 0.486 102 I N 1.448 122.126 120.570 0.180 0.000 2.607 102 I HA 0.341 4.511 4.170 0.000 0.000 0.290 102 I C -1.411 174.813 176.117 0.179 0.000 1.129 102 I CA -0.399 61.015 61.300 0.191 0.000 1.042 102 I CB 1.761 39.892 38.000 0.217 0.000 1.242 102 I HN 0.568 nan 8.210 nan 0.000 0.421 103 Q N 5.523 125.391 119.800 0.114 0.000 2.256 103 Q HA 0.622 4.962 4.340 0.000 0.000 0.257 103 Q C -1.441 174.609 176.000 0.083 0.000 0.936 103 Q CA -0.730 55.119 55.803 0.078 0.000 0.903 103 Q CB 2.813 31.578 28.738 0.044 0.000 1.263 103 Q HN 0.441 nan 8.270 nan 0.000 0.440 104 V N 2.920 122.880 119.914 0.077 0.000 2.588 104 V HA 0.519 4.639 4.120 0.000 0.000 0.304 104 V C -0.580 175.557 176.094 0.073 0.000 1.042 104 V CA -0.823 61.509 62.300 0.053 0.000 0.877 104 V CB 1.972 33.788 31.823 -0.011 0.000 0.996 104 V HN 0.673 nan 8.190 nan 0.000 0.425 105 R N 2.960 123.539 120.500 0.133 0.000 2.599 105 R HA 0.475 4.815 4.340 0.000 0.000 0.295 105 R C -0.850 175.567 176.300 0.195 0.000 0.963 105 R CA -0.711 55.463 56.100 0.123 0.000 0.883 105 R CB 1.600 31.947 30.300 0.078 0.000 1.171 105 R HN 0.635 nan 8.270 nan 0.000 0.450 106 Q N 3.311 123.183 119.800 0.121 0.000 2.423 106 Q HA 0.157 4.497 4.340 0.000 0.000 0.235 106 Q C -0.434 175.549 176.000 -0.028 0.000 1.100 106 Q CA -0.171 55.649 55.803 0.030 0.000 0.908 106 Q CB 1.292 30.037 28.738 0.012 0.000 1.312 106 Q HN 0.401 nan 8.270 nan 0.000 0.497 107 V N 2.453 122.316 119.914 -0.084 0.000 2.637 107 V HA -0.006 4.114 4.120 0.000 0.000 0.296 107 V C 0.852 176.957 176.094 0.017 0.000 1.046 107 V CA -0.040 62.245 62.300 -0.025 0.000 1.066 107 V CB 0.874 32.683 31.823 -0.024 0.000 0.968 107 V HN 0.635 nan 8.190 nan 0.000 0.483 108 E N 3.151 123.380 120.200 0.049 0.000 2.354 108 E HA 0.102 4.452 4.350 0.000 0.000 0.269 108 E C 0.133 176.795 176.600 0.104 0.000 1.036 108 E CA -0.163 56.279 56.400 0.070 0.000 0.876 108 E CB 0.355 30.087 29.700 0.053 0.000 1.009 108 E HN 0.769 nan 8.360 nan 0.000 0.416 109 D N 2.321 122.793 120.400 0.121 0.000 2.746 109 D HA -0.260 4.380 4.640 0.000 0.000 0.241 109 D C -1.820 174.570 176.300 0.151 0.000 1.140 109 D CA 0.721 54.789 54.000 0.112 0.000 0.707 109 D CB -1.341 39.500 40.800 0.068 0.000 1.034 109 D HN 0.354 nan 8.370 nan 0.000 0.423 110 Y N 0.098 120.420 120.300 0.037 0.000 2.376 110 Y HA 0.579 5.129 4.550 0.000 0.000 0.325 110 Y C -1.965 173.949 175.900 0.023 0.000 1.199 110 Y CA -2.030 56.079 58.100 0.015 0.000 1.206 110 Y CB 1.174 39.628 38.460 -0.010 0.000 1.229 110 Y HN -0.007 nan 8.280 nan 0.000 0.480 111 P HA 0.211 nan 4.420 nan 0.000 0.275 111 P C -1.519 175.726 177.300 -0.091 0.000 1.228 111 P CA -0.008 62.948 63.100 -0.240 0.000 0.786 111 P CB 0.880 32.388 31.700 -0.321 0.000 0.927 112 V N 2.816 122.711 119.914 -0.032 0.000 2.577 112 V HA 0.324 4.444 4.120 0.000 0.000 0.303 112 V C -0.631 175.511 176.094 0.081 0.000 1.042 112 V CA -0.586 61.727 62.300 0.022 0.000 0.872 112 V CB 2.080 33.827 31.823 -0.128 0.000 0.998 112 V HN 0.410 nan 8.190 nan 0.000 0.423 113 D N 4.503 125.038 120.400 0.225 0.000 2.233 113 D HA 0.600 5.240 4.640 0.000 0.000 0.240 113 D C -0.477 176.043 176.300 0.366 0.000 1.074 113 D CA -0.022 54.168 54.000 0.316 0.000 0.838 113 D CB 2.305 43.453 40.800 0.581 0.000 1.124 113 D HN 0.376 nan 8.370 nan 0.000 0.475 114 I N 2.667 123.386 120.570 0.249 0.000 2.420 114 I HA 0.154 4.324 4.170 0.000 0.000 0.282 114 I C -1.019 175.279 176.117 0.301 0.000 1.019 114 I CA -0.997 60.468 61.300 0.275 0.000 1.130 114 I CB 1.147 39.238 38.000 0.151 0.000 1.262 114 I HN 0.222 nan 8.210 nan 0.000 0.454 115 Y N 7.057 127.484 120.300 0.211 0.000 2.367 115 Y HA 0.285 4.835 4.550 0.000 0.000 0.342 115 Y C -0.924 175.136 175.900 0.267 0.000 0.979 115 Y CA -0.637 57.554 58.100 0.153 0.000 1.161 115 Y CB 0.787 39.209 38.460 -0.062 0.000 1.155 115 Y HN 0.440 nan 8.280 nan 0.000 0.503 116 Y N 7.742 127.947 120.300 -0.158 0.000 2.404 116 Y HA 0.445 4.995 4.550 0.000 0.000 0.344 116 Y C -1.423 174.191 175.900 -0.476 0.000 0.970 116 Y CA -0.776 57.267 58.100 -0.095 0.000 1.180 116 Y CB 0.542 39.150 38.460 0.246 0.000 1.138 116 Y HN 0.627 nan 8.280 nan 0.000 0.510 117 L N 8.413 129.415 121.223 -0.369 0.000 2.294 117 L HA 0.515 4.855 4.340 0.000 0.000 0.283 117 L C -1.183 175.552 176.870 -0.225 0.000 1.015 117 L CA -0.579 54.141 54.840 -0.201 0.000 0.831 117 L CB 1.057 43.239 42.059 0.206 0.000 1.217 117 L HN 0.789 nan 8.230 nan 0.000 0.420 118 M N 4.038 123.446 119.600 -0.321 0.000 2.243 118 M HA 0.360 4.840 4.480 0.000 0.000 0.324 118 M C -0.899 174.996 176.300 -0.675 0.000 1.031 118 M CA -0.676 54.409 55.300 -0.358 0.000 0.949 118 M CB 1.302 33.846 32.600 -0.093 0.000 1.615 118 M HN 0.639 nan 8.290 nan 0.000 0.430 119 D N 4.837 124.656 120.400 -0.968 0.000 2.401 119 D HA 0.093 4.733 4.640 0.000 0.000 0.254 119 D C -0.474 175.492 176.300 -0.556 0.000 1.192 119 D CA 0.457 53.694 54.000 -1.272 0.000 0.885 119 D CB 0.570 40.923 40.800 -0.745 0.000 1.147 119 D HN 0.736 nan 8.370 nan 0.000 0.478 120 L N 3.424 124.391 121.223 -0.427 0.000 3.154 120 L HA 0.099 4.439 4.340 0.000 0.000 0.266 120 L C 0.906 177.711 176.870 -0.107 0.000 1.300 120 L CA -0.440 54.319 54.840 -0.135 0.000 1.028 120 L CB 0.027 42.153 42.059 0.111 0.000 1.412 120 L HN 0.328 nan 8.230 nan 0.000 0.564 121 S N -1.728 113.885 115.700 -0.145 0.000 2.617 121 S HA -0.049 4.422 4.470 0.000 0.000 0.255 121 S C 1.030 175.643 174.600 0.021 0.000 1.318 121 S CA -0.087 58.094 58.200 -0.032 0.000 0.978 121 S CB 0.543 63.735 63.200 -0.013 0.000 0.961 121 S HN 0.279 nan 8.310 nan 0.000 0.582 122 Y N 1.421 121.701 120.300 -0.033 0.000 2.293 122 Y HA -0.071 4.479 4.550 0.000 0.000 0.291 122 Y C 2.734 178.595 175.900 -0.065 0.000 1.137 122 Y CA 1.799 59.881 58.100 -0.030 0.000 1.202 122 Y CB -0.723 37.739 38.460 0.003 0.000 0.990 122 Y HN 0.807 nan 8.280 nan 0.000 0.537 123 S N -1.099 114.587 115.700 -0.024 0.000 2.547 123 S HA -0.101 4.369 4.470 0.000 0.000 0.235 123 S C 1.398 175.881 174.600 -0.196 0.000 0.980 123 S CA 0.829 58.969 58.200 -0.101 0.000 0.941 123 S CB -0.325 62.862 63.200 -0.023 0.000 0.763 123 S HN 0.344 nan 8.310 nan 0.000 0.532 124 M N 0.700 120.168 119.600 -0.221 0.000 2.419 124 M HA 0.323 4.803 4.480 0.000 0.000 0.252 124 M C 1.632 177.723 176.300 -0.348 0.000 1.143 124 M CA 0.170 55.328 55.300 -0.238 0.000 0.985 124 M CB -0.444 32.046 32.600 -0.183 0.000 1.489 124 M HN 0.383 nan 8.290 nan 0.000 0.484 125 K N 1.739 121.842 120.400 -0.496 0.000 2.057 125 K HA -0.182 4.138 4.320 0.000 0.000 0.207 125 K C 1.469 177.397 176.600 -1.121 0.000 1.049 125 K CA 1.967 57.855 56.287 -0.666 0.000 0.931 125 K CB 0.150 32.202 32.500 -0.747 0.000 0.714 125 K HN 0.377 nan 8.250 nan 0.000 0.440 126 D N 0.162 119.880 120.400 -1.137 0.000 2.178 126 D HA -0.178 4.462 4.640 0.000 0.000 0.202 126 D C 0.960 176.873 176.300 -0.645 0.000 0.974 126 D CA 1.215 54.417 54.000 -1.331 0.000 0.841 126 D CB -0.426 39.986 40.800 -0.645 0.000 0.953 126 D HN 0.263 nan 8.370 nan 0.000 0.478 127 D N 0.981 121.133 120.400 -0.413 0.000 2.117 127 D HA -0.061 4.579 4.640 0.000 0.000 0.197 127 D C 2.299 178.518 176.300 -0.134 0.000 0.987 127 D CA 0.453 54.343 54.000 -0.183 0.000 0.829 127 D CB -0.335 40.395 40.800 -0.117 0.000 0.961 127 D HN 0.168 nan 8.370 nan 0.000 0.460 128 L N 0.067 121.158 121.223 -0.219 0.000 2.043 128 L HA -0.203 4.137 4.340 0.000 0.000 0.212 128 L C 2.108 178.982 176.870 0.006 0.000 1.075 128 L CA 1.027 55.796 54.840 -0.119 0.000 0.752 128 L CB -0.323 41.648 42.059 -0.146 0.000 0.891 128 L HN 0.266 nan 8.230 nan 0.000 0.432 129 W N -0.616 120.660 121.300 -0.039 0.000 2.363 129 W HA -0.109 4.551 4.660 0.000 0.000 0.296 129 W C 2.734 179.237 176.519 -0.028 0.000 1.212 129 W CA 0.814 58.136 57.345 -0.037 0.000 1.260 129 W CB -1.506 27.933 29.460 -0.034 0.000 1.131 129 W HN 0.129 nan 8.180 nan 0.000 0.530 130 S N 0.604 116.409 115.700 0.175 0.000 2.406 130 S HA -0.077 4.393 4.470 0.000 0.000 0.228 130 S C 1.636 176.276 174.600 0.067 0.000 1.020 130 S CA 1.229 59.495 58.200 0.110 0.000 0.965 130 S CB -0.405 62.842 63.200 0.078 0.000 0.798 130 S HN 0.416 nan 8.310 nan 0.000 0.488 131 I N -0.936 119.661 120.570 0.046 0.000 3.861 131 I HA 0.213 4.383 4.170 0.000 0.000 0.329 131 I C 1.560 177.679 176.117 0.004 0.000 1.321 131 I CA -0.078 61.230 61.300 0.014 0.000 1.126 131 I CB -0.074 37.916 38.000 -0.016 0.000 1.018 131 I HN -0.039 nan 8.210 nan 0.000 0.407 132 Q N 2.163 121.972 119.800 0.015 0.000 2.112 132 Q HA -0.124 4.216 4.340 0.000 0.000 0.206 132 Q C 0.676 176.677 176.000 0.002 0.000 0.987 132 Q CA 1.449 57.249 55.803 -0.005 0.000 0.858 132 Q CB -0.351 28.398 28.738 0.018 0.000 0.905 132 Q HN 0.677 nan 8.270 nan 0.000 0.420 133 N N 0.277 118.984 118.700 0.012 0.000 2.389 133 N HA 0.043 4.783 4.740 0.000 0.000 0.260 133 N C 1.025 176.533 175.510 -0.003 0.000 1.191 133 N CA -0.028 53.028 53.050 0.009 0.000 0.885 133 N CB 0.638 39.125 38.487 -0.001 0.000 1.162 133 N HN 0.089 nan 8.380 nan 0.000 0.512 134 L N 0.903 122.129 121.223 0.005 0.000 2.141 134 L HA 0.123 4.463 4.340 0.000 0.000 0.209 134 L C 2.007 178.751 176.870 -0.211 0.000 1.094 134 L CA 1.519 56.316 54.840 -0.072 0.000 0.763 134 L CB -0.780 41.233 42.059 -0.078 0.000 0.908 134 L HN 0.157 nan 8.230 nan 0.000 0.437 135 G N -1.372 107.310 108.800 -0.197 0.000 2.459 135 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 135 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 135 G C 1.433 176.215 174.900 -0.197 0.000 1.183 135 G CA 1.280 46.153 45.100 -0.378 0.000 0.776 135 G HN 0.414 nan 8.290 nan 0.000 0.552 136 T N 0.753 115.255 114.554 -0.086 0.000 2.708 136 T HA -0.083 4.267 4.350 0.000 0.000 0.266 136 T C 2.398 177.055 174.700 -0.071 0.000 1.037 136 T CA 1.671 63.733 62.100 -0.062 0.000 1.146 136 T CB -0.169 68.679 68.868 -0.032 0.000 0.865 136 T HN 0.324 nan 8.240 nan 0.000 0.435 137 K N 0.351 120.709 120.400 -0.071 0.000 2.103 137 K HA 0.100 4.420 4.320 0.000 0.000 0.204 137 K C 2.136 178.694 176.600 -0.069 0.000 1.052 137 K CA 0.529 56.782 56.287 -0.056 0.000 0.945 137 K CB -0.273 32.205 32.500 -0.038 0.000 0.722 137 K HN 0.087 nan 8.250 nan 0.000 0.443 138 L N 1.334 122.490 121.223 -0.111 0.000 2.046 138 L HA -0.097 4.243 4.340 0.000 0.000 0.208 138 L C 2.180 178.982 176.870 -0.112 0.000 1.077 138 L CA 1.685 56.454 54.840 -0.119 0.000 0.747 138 L CB -0.765 41.178 42.059 -0.194 0.000 0.896 138 L HN 0.139 nan 8.230 nan 0.000 0.432 139 A N -1.410 121.336 122.820 -0.124 0.000 1.892 139 A HA -0.258 4.062 4.320 0.000 0.000 0.218 139 A C 2.258 179.802 177.584 -0.066 0.000 1.188 139 A CA 2.559 54.539 52.037 -0.095 0.000 0.631 139 A CB -1.313 17.635 19.000 -0.086 0.000 0.822 139 A HN 0.522 nan 8.150 nan 0.000 0.447 140 T N -0.107 114.415 114.554 -0.054 0.000 2.788 140 T HA -0.146 4.204 4.350 0.000 0.000 0.268 140 T C 1.994 176.676 174.700 -0.029 0.000 1.044 140 T CA 1.586 63.664 62.100 -0.036 0.000 1.139 140 T CB -0.205 68.646 68.868 -0.028 0.000 0.867 140 T HN 0.491 nan 8.240 nan 0.000 0.454 141 Q N 0.072 119.852 119.800 -0.033 0.000 2.212 141 Q HA 0.217 4.557 4.340 0.000 0.000 0.199 141 Q C 2.218 178.200 176.000 -0.029 0.000 0.950 141 Q CA 0.675 56.465 55.803 -0.021 0.000 0.863 141 Q CB -0.261 28.469 28.738 -0.012 0.000 0.944 141 Q HN 0.431 nan 8.270 nan 0.000 0.465 142 M N 0.158 119.723 119.600 -0.058 0.000 2.476 142 M HA -0.034 4.446 4.480 0.000 0.000 0.262 142 M C 1.935 178.194 176.300 -0.069 0.000 1.079 142 M CA 0.868 56.114 55.300 -0.091 0.000 1.104 142 M CB -0.620 31.898 32.600 -0.136 0.000 1.409 142 M HN 0.153 nan 8.290 nan 0.000 0.467 143 R N 0.916 121.389 120.500 -0.046 0.000 2.189 143 R HA -0.097 4.243 4.340 0.000 0.000 0.218 143 R C 1.758 178.051 176.300 -0.012 0.000 1.074 143 R CA 1.102 57.184 56.100 -0.030 0.000 0.991 143 R CB 0.096 30.381 30.300 -0.026 0.000 0.883 143 R HN 0.255 nan 8.270 nan 0.000 0.457 144 K N 0.072 120.469 120.400 -0.005 0.000 2.211 144 K HA -0.059 4.261 4.320 0.000 0.000 0.203 144 K C 1.675 178.292 176.600 0.028 0.000 1.050 144 K CA 1.051 57.346 56.287 0.012 0.000 0.945 144 K CB 0.144 32.654 32.500 0.017 0.000 0.732 144 K HN 0.259 nan 8.250 nan 0.000 0.451 145 L N -0.988 120.251 121.223 0.026 0.000 2.500 145 L HA 0.112 4.453 4.340 0.000 0.000 0.219 145 L C 0.873 177.777 176.870 0.057 0.000 1.057 145 L CA 0.144 55.025 54.840 0.069 0.000 0.854 145 L CB 0.830 42.953 42.059 0.107 0.000 1.078 145 L HN -0.054 nan 8.230 nan 0.000 0.480 146 T N -1.974 112.581 114.554 0.001 0.000 2.933 146 T HA 0.279 4.629 4.350 0.000 0.000 0.305 146 T C 0.377 175.066 174.700 -0.018 0.000 1.092 146 T CA -0.391 61.706 62.100 -0.004 0.000 1.008 146 T CB 1.857 70.699 68.868 -0.044 0.000 1.102 146 T HN -0.101 nan 8.240 nan 0.000 0.469 147 S N 3.273 118.967 115.700 -0.011 0.000 2.558 147 S HA 0.194 4.664 4.470 0.000 0.000 0.217 147 S C 0.682 175.265 174.600 -0.028 0.000 0.975 147 S CA -0.101 58.089 58.200 -0.016 0.000 0.912 147 S CB 0.001 63.196 63.200 -0.008 0.000 0.776 147 S HN 0.645 nan 8.310 nan 0.000 0.526 148 N N 1.803 120.480 118.700 -0.039 0.000 2.841 148 N HA 0.316 5.057 4.740 0.000 0.000 0.257 148 N C -1.519 173.963 175.510 -0.047 0.000 1.396 148 N CA -0.179 52.843 53.050 -0.047 0.000 0.823 148 N CB 1.346 39.791 38.487 -0.069 0.000 1.162 148 N HN 0.194 nan 8.380 nan 0.000 0.503 149 L N 1.433 122.632 121.223 -0.041 0.000 2.295 149 L HA 0.524 4.864 4.340 0.000 0.000 0.285 149 L C -0.355 176.505 176.870 -0.016 0.000 1.035 149 L CA -0.272 54.544 54.840 -0.041 0.000 0.806 149 L CB 0.842 42.862 42.059 -0.065 0.000 1.214 149 L HN 0.156 nan 8.230 nan 0.000 0.426 150 R N 6.104 126.610 120.500 0.009 0.000 2.686 150 R HA 0.730 5.070 4.340 0.000 0.000 0.286 150 R C -1.057 175.272 176.300 0.048 0.000 0.969 150 R CA -0.766 55.352 56.100 0.031 0.000 0.898 150 R CB 2.087 32.415 30.300 0.047 0.000 1.183 150 R HN 0.802 nan 8.270 nan 0.000 0.456 151 I N -1.797 118.808 120.570 0.058 0.000 2.934 151 I HA 0.936 5.106 4.170 0.000 0.000 0.306 151 I C -0.436 175.827 176.117 0.243 0.000 1.110 151 I CA -0.842 60.517 61.300 0.098 0.000 1.019 151 I CB 2.703 40.651 38.000 -0.086 0.000 1.227 151 I HN 0.664 nan 8.210 nan 0.000 0.434 152 G N 2.523 111.541 108.800 0.365 0.000 2.649 152 G HA2 0.682 4.642 3.960 0.000 0.000 0.290 152 G HA3 0.682 4.642 3.960 0.000 0.000 0.290 152 G C -2.429 172.633 174.900 0.270 0.000 1.426 152 G CA -0.646 44.688 45.100 0.391 0.000 0.794 152 G HN 0.686 nan 8.290 nan 0.000 0.483 153 F N -0.159 119.674 119.950 -0.196 0.000 2.596 153 F HA 0.723 5.250 4.527 0.000 0.000 0.311 153 F C 0.098 175.652 175.800 -0.411 0.000 1.116 153 F CA -0.022 57.730 58.000 -0.413 0.000 0.957 153 F CB 2.290 40.991 39.000 -0.498 0.000 1.250 153 F HN 0.887 nan 8.300 nan 0.000 0.444 154 G N 2.230 110.514 108.800 -0.859 0.000 2.672 154 G HA2 0.835 4.795 3.960 0.000 0.000 0.292 154 G HA3 0.835 4.795 3.960 0.000 0.000 0.292 154 G C -2.216 172.450 174.900 -0.390 0.000 1.375 154 G CA -0.522 44.449 45.100 -0.214 0.000 0.890 154 G HN 1.033 nan 8.290 nan 0.000 0.476 155 A N -0.535 122.324 122.820 0.064 0.000 2.556 155 A HA 0.955 5.276 4.320 0.000 0.000 0.294 155 A C -1.248 176.682 177.584 0.577 0.000 1.091 155 A CA -0.733 51.403 52.037 0.166 0.000 0.704 155 A CB 1.521 20.657 19.000 0.227 0.000 1.300 155 A HN 1.956 nan 8.150 nan 0.000 0.406 156 F N -0.649 119.534 119.950 0.388 0.000 2.645 156 F HA 0.787 5.314 4.527 0.000 0.000 0.310 156 F C -0.493 175.309 175.800 0.003 0.000 1.102 156 F CA -0.761 57.433 58.000 0.322 0.000 0.952 156 F CB 0.803 39.988 39.000 0.308 0.000 1.326 156 F HN 0.371 nan 8.300 nan 0.000 0.456 157 V N -0.753 119.178 119.914 0.029 0.000 4.213 157 V HA 0.458 4.578 4.120 0.000 0.000 0.179 157 V C -0.904 175.311 176.094 0.202 0.000 1.148 157 V CA 0.579 62.831 62.300 -0.081 0.000 1.346 157 V CB 0.493 32.058 31.823 -0.431 0.000 1.703 157 V HN 0.892 nan 8.190 nan 0.000 0.525 158 D N -1.271 119.203 120.400 0.124 0.000 2.738 158 D HA 0.244 4.884 4.640 0.000 0.000 0.308 158 D C -1.508 174.875 176.300 0.138 0.000 1.311 158 D CA -0.634 53.461 54.000 0.158 0.000 0.799 158 D CB 1.438 42.290 40.800 0.087 0.000 1.332 158 D HN 0.106 nan 8.370 nan 0.000 0.441 159 K N 1.606 122.058 120.400 0.087 0.000 2.436 159 K HA 0.197 4.517 4.320 0.000 0.000 0.282 159 K C -1.932 174.785 176.600 0.194 0.000 1.044 159 K CA -0.960 55.397 56.287 0.117 0.000 1.028 159 K CB 0.364 32.892 32.500 0.046 0.000 0.919 159 K HN 0.118 nan 8.250 nan 0.000 0.474 160 P HA 0.019 nan 4.420 nan 0.000 0.237 160 P C -0.833 176.535 177.300 0.113 0.000 1.788 160 P CA 0.115 63.300 63.100 0.142 0.000 1.061 160 P CB 0.197 31.981 31.700 0.140 0.000 1.967 161 V N 1.062 121.058 119.914 0.137 0.000 3.000 161 V HA 0.353 4.473 4.120 0.000 0.000 0.300 161 V C -0.472 175.611 176.094 -0.019 0.000 1.251 161 V CA -0.758 61.578 62.300 0.059 0.000 0.972 161 V CB 2.405 34.260 31.823 0.052 0.000 1.065 161 V HN 0.266 nan 8.190 nan 0.000 0.431 162 S N 6.376 122.029 115.700 -0.079 0.000 2.560 162 S HA 0.379 4.849 4.470 0.000 0.000 0.284 162 S C -1.399 173.012 174.600 -0.315 0.000 1.327 162 S CA -0.034 58.072 58.200 -0.156 0.000 1.055 162 S CB 1.205 64.346 63.200 -0.097 0.000 0.868 162 S HN 0.816 nan 8.310 nan 0.000 0.506 163 P HA 0.115 nan 4.420 nan 0.000 0.261 163 P C 0.329 177.453 177.300 -0.293 0.000 1.268 163 P CA 0.225 63.128 63.100 -0.328 0.000 0.833 163 P CB -0.057 31.479 31.700 -0.272 0.000 1.231 164 Y N 0.085 120.347 120.300 -0.063 0.000 2.224 164 Y HA 0.042 4.592 4.550 0.000 0.000 0.289 164 Y C 1.813 177.627 175.900 -0.144 0.000 1.146 164 Y CA 0.456 58.521 58.100 -0.057 0.000 1.182 164 Y CB -0.978 37.496 38.460 0.023 0.000 0.983 164 Y HN -0.003 nan 8.280 nan 0.000 0.524 165 M N -0.186 119.418 119.600 0.008 0.000 2.363 165 M HA 0.333 4.813 4.480 0.000 0.000 0.343 165 M C -1.505 174.736 176.300 -0.097 0.000 1.165 165 M CA -0.802 54.491 55.300 -0.012 0.000 1.046 165 M CB 0.844 33.488 32.600 0.074 0.000 1.648 165 M HN 0.010 nan 8.290 nan 0.000 0.452 166 Y N 5.035 125.376 120.300 0.069 0.000 2.377 166 Y HA 0.203 4.753 4.550 0.000 0.000 0.330 166 Y C 0.913 176.836 175.900 0.038 0.000 1.108 166 Y CA 0.006 58.139 58.100 0.055 0.000 1.308 166 Y CB 0.230 38.735 38.460 0.075 0.000 1.216 166 Y HN 0.662 nan 8.280 nan 0.000 0.518 167 I N -0.734 119.930 120.570 0.157 0.000 4.050 167 I HA 0.423 4.593 4.170 0.000 0.000 0.327 167 I C -0.324 175.823 176.117 0.050 0.000 1.473 167 I CA -0.213 61.134 61.300 0.078 0.000 1.124 167 I CB 0.261 38.283 38.000 0.036 0.000 1.129 167 I HN 0.372 nan 8.210 nan 0.000 0.428 168 S N 0.047 115.788 115.700 0.067 0.000 2.537 168 S HA 0.731 5.201 4.470 0.000 0.000 0.270 168 S C -2.951 171.638 174.600 -0.018 0.000 1.142 168 S CA -0.897 57.310 58.200 0.012 0.000 0.870 168 S CB 1.578 64.796 63.200 0.030 0.000 1.112 168 S HN -0.037 nan 8.310 nan 0.000 0.466 169 P HA 0.411 nan 4.420 nan 0.000 0.286 169 P C -2.014 175.177 177.300 -0.181 0.000 1.293 169 P CA -1.393 61.607 63.100 -0.166 0.000 0.770 169 P CB -0.554 31.010 31.700 -0.227 0.000 1.206 170 P HA -0.206 nan 4.420 nan 0.000 0.217 170 P C 1.431 178.650 177.300 -0.135 0.000 1.148 170 P CA 1.473 64.512 63.100 -0.102 0.000 0.828 170 P CB -0.074 31.581 31.700 -0.075 0.000 0.783 171 E N -0.282 119.780 120.200 -0.231 0.000 2.153 171 E HA -0.189 4.161 4.350 0.000 0.000 0.194 171 E C 1.858 178.308 176.600 -0.250 0.000 0.988 171 E CA 1.086 57.333 56.400 -0.255 0.000 0.811 171 E CB -0.462 29.020 29.700 -0.363 0.000 0.746 171 E HN 0.106 nan 8.360 nan 0.000 0.466 172 A N 0.761 123.375 122.820 -0.344 0.000 2.015 172 A HA -0.103 4.217 4.320 0.000 0.000 0.219 172 A C 2.102 179.699 177.584 0.021 0.000 1.163 172 A CA 0.760 52.729 52.037 -0.113 0.000 0.646 172 A CB -0.422 18.548 19.000 -0.049 0.000 0.806 172 A HN 0.294 nan 8.150 nan 0.000 0.448 173 L N -0.790 120.433 121.223 -0.001 0.000 2.056 173 L HA -0.138 4.202 4.340 0.000 0.000 0.207 173 L C 2.562 179.462 176.870 0.050 0.000 1.078 173 L CA 1.261 56.125 54.840 0.040 0.000 0.749 173 L CB -0.404 41.667 42.059 0.019 0.000 0.901 173 L HN 0.351 nan 8.230 nan 0.000 0.433 174 E N -0.380 119.835 120.200 0.025 0.000 2.170 174 E HA -0.064 4.286 4.350 0.000 0.000 0.191 174 E C 0.297 176.934 176.600 0.062 0.000 0.981 174 E CA 0.493 56.917 56.400 0.038 0.000 0.830 174 E CB 0.005 29.714 29.700 0.016 0.000 0.775 174 E HN 0.238 nan 8.360 nan 0.000 0.470 175 N N 0.004 118.742 118.700 0.063 0.000 2.640 175 N HA 0.142 4.882 4.740 0.000 0.000 0.262 175 N C -2.494 173.090 175.510 0.123 0.000 1.174 175 N CA -1.860 51.248 53.050 0.097 0.000 0.791 175 N CB 1.473 40.020 38.487 0.100 0.000 1.279 175 N HN -0.305 nan 8.380 nan 0.000 0.535 176 P HA 0.008 nan 4.420 nan 0.000 0.223 176 P C 0.317 177.629 177.300 0.020 0.000 1.144 176 P CA 0.851 64.018 63.100 0.112 0.000 0.783 176 P CB 0.197 31.993 31.700 0.159 0.000 0.771 177 c N -2.068 116.545 118.600 0.022 0.000 2.559 177 c HA 0.128 4.698 4.570 0.000 0.000 0.300 177 c C 2.226 176.280 174.090 -0.060 0.000 1.288 177 c CA -0.670 55.608 56.329 -0.085 0.000 1.699 177 c CB -2.489 39.985 42.510 -0.060 0.000 1.819 177 c HN 0.374 nan 8.230 nan 0.000 0.600 178 Y N 2.907 123.151 120.300 -0.093 0.000 2.224 178 Y HA -0.186 4.365 4.550 0.000 0.000 0.289 178 Y C 1.889 177.741 175.900 -0.080 0.000 1.146 178 Y CA 2.193 60.254 58.100 -0.066 0.000 1.182 178 Y CB -0.530 37.900 38.460 -0.050 0.000 0.983 178 Y HN 0.388 nan 8.280 nan 0.000 0.524 179 D N 0.532 120.201 120.400 -1.218 0.000 2.289 179 D HA -0.028 4.612 4.640 0.000 0.000 0.207 179 D C 0.610 176.620 176.300 -0.485 0.000 0.966 179 D CA 0.440 53.796 54.000 -1.072 0.000 0.868 179 D CB -0.466 39.740 40.800 -0.989 0.000 0.943 179 D HN 0.443 nan 8.370 nan 0.000 0.514 180 M N 0.091 119.471 119.600 -0.367 0.000 2.114 180 M HA 0.199 4.679 4.480 0.000 0.000 0.293 180 M C 0.628 176.830 176.300 -0.164 0.000 1.201 180 M CA -0.074 55.089 55.300 -0.228 0.000 1.107 180 M CB 0.874 33.336 32.600 -0.230 0.000 1.405 180 M HN -0.349 nan 8.290 nan 0.000 0.486 181 K N 0.842 121.189 120.400 -0.088 0.000 3.000 181 K HA 0.279 4.599 4.320 0.000 0.000 0.239 181 K C -0.500 176.099 176.600 -0.002 0.000 1.269 181 K CA -0.078 56.182 56.287 -0.045 0.000 1.220 181 K CB 0.127 32.610 32.500 -0.028 0.000 1.645 181 K HN 0.650 nan 8.250 nan 0.000 0.423 182 T N -0.939 113.616 114.554 0.001 0.000 2.658 182 T HA 0.243 4.593 4.350 0.000 0.000 0.305 182 T C -1.447 173.288 174.700 0.059 0.000 1.551 182 T CA -0.364 61.765 62.100 0.049 0.000 0.985 182 T CB 1.888 70.813 68.868 0.096 0.000 1.731 182 T HN 0.046 nan 8.240 nan 0.000 0.486 183 T N 1.229 115.838 114.554 0.093 0.000 2.848 183 T HA 0.687 5.037 4.350 0.000 0.000 0.285 183 T C -0.392 174.388 174.700 0.134 0.000 0.995 183 T CA -0.484 61.675 62.100 0.099 0.000 0.970 183 T CB 0.128 69.047 68.868 0.085 0.000 0.976 183 T HN 0.994 nan 8.240 nan 0.000 0.441 184 c N 2.204 120.886 118.600 0.137 0.000 3.259 184 c HA 0.802 5.372 4.570 0.000 0.000 0.328 184 c C -0.293 173.892 174.090 0.159 0.000 1.425 184 c CA -1.424 55.007 56.329 0.170 0.000 1.465 184 c CB -0.148 42.495 42.510 0.222 0.000 1.890 184 c HN 0.833 nan 8.230 nan 0.000 0.450 185 L N 1.958 123.296 121.223 0.192 0.000 2.436 185 L HA 0.372 4.712 4.340 0.000 0.000 0.265 185 L C -1.966 175.039 176.870 0.225 0.000 1.168 185 L CA -1.159 53.805 54.840 0.208 0.000 0.815 185 L CB 0.365 42.591 42.059 0.279 0.000 1.109 185 L HN 0.466 nan 8.230 nan 0.000 0.462 186 P HA -0.053 nan 4.420 nan 0.000 0.267 186 P C -0.331 177.142 177.300 0.289 0.000 1.201 186 P CA 0.089 63.308 63.100 0.199 0.000 0.775 186 P CB 0.457 32.248 31.700 0.152 0.000 0.854 187 M N 3.036 122.769 119.600 0.222 0.000 2.238 187 M HA 0.353 4.833 4.480 0.000 0.000 0.347 187 M C -0.630 175.841 176.300 0.284 0.000 1.173 187 M CA 0.265 55.669 55.300 0.173 0.000 1.147 187 M CB -0.143 32.528 32.600 0.118 0.000 1.547 187 M HN 0.275 nan 8.290 nan 0.000 0.455 188 F N 1.282 121.356 119.950 0.208 0.000 2.599 188 F HA 0.734 5.261 4.527 0.000 0.000 0.311 188 F C 0.299 176.269 175.800 0.284 0.000 1.076 188 F CA -0.903 57.255 58.000 0.265 0.000 0.937 188 F CB 0.645 39.845 39.000 0.334 0.000 1.282 188 F HN 0.557 nan 8.300 nan 0.000 0.460 189 G N 0.550 109.625 108.800 0.458 0.000 2.518 189 G HA2 0.103 4.063 3.960 0.000 0.000 0.213 189 G HA3 0.103 4.063 3.960 0.000 0.000 0.213 189 G C -1.164 174.098 174.900 0.603 0.000 1.226 189 G CA 0.923 46.279 45.100 0.427 0.000 0.822 189 G HN 0.784 nan 8.290 nan 0.000 0.546 190 Y N 1.084 121.700 120.300 0.527 0.000 2.396 190 Y HA 0.548 5.098 4.550 0.000 0.000 0.332 190 Y C -1.107 174.981 175.900 0.313 0.000 1.034 190 Y CA -1.799 56.576 58.100 0.459 0.000 1.057 190 Y CB 1.306 39.952 38.460 0.311 0.000 1.220 190 Y HN 0.287 nan 8.280 nan 0.000 0.440 191 K N 4.024 124.185 120.400 -0.398 0.000 2.397 191 K HA 0.408 4.728 4.320 0.000 0.000 0.253 191 K C -1.626 174.526 176.600 -0.747 0.000 0.932 191 K CA -1.000 54.815 56.287 -0.788 0.000 0.795 191 K CB 1.844 33.743 32.500 -1.001 0.000 1.159 191 K HN 0.785 nan 8.250 nan 0.000 0.424 192 H N 2.358 120.993 119.070 -0.725 0.000 2.722 192 H HA 0.174 4.730 4.556 0.000 0.000 0.328 192 H C -0.039 175.226 175.328 -0.106 0.000 1.067 192 H CA -0.033 55.876 56.048 -0.232 0.000 1.447 192 H CB 1.023 30.733 29.762 -0.087 0.000 1.469 192 H HN 0.508 nan 8.280 nan 0.000 0.544 193 V N 4.398 124.024 119.914 -0.481 0.000 2.854 193 V HA 0.128 4.248 4.120 0.000 0.000 0.236 193 V C -0.221 175.622 176.094 -0.418 0.000 1.157 193 V CA 0.103 62.202 62.300 -0.334 0.000 1.187 193 V CB 0.086 31.879 31.823 -0.051 0.000 0.949 193 V HN 0.539 nan 8.190 nan 0.000 0.488 194 L N 0.671 121.662 121.223 -0.387 0.000 2.404 194 L HA 0.578 4.918 4.340 0.000 0.000 0.272 194 L C -0.140 176.764 176.870 0.057 0.000 0.980 194 L CA 0.138 54.884 54.840 -0.157 0.000 0.836 194 L CB 1.540 43.568 42.059 -0.052 0.000 1.238 194 L HN 0.065 nan 8.230 nan 0.000 0.408 195 T N 5.518 120.175 114.554 0.173 0.000 2.928 195 T HA 0.262 4.612 4.350 0.000 0.000 0.305 195 T C 0.503 175.303 174.700 0.166 0.000 1.035 195 T CA -0.036 62.244 62.100 0.300 0.000 1.145 195 T CB -0.013 68.981 68.868 0.211 0.000 0.963 195 T HN 0.473 nan 8.240 nan 0.000 0.545 196 L N 3.369 124.656 121.223 0.106 0.000 2.678 196 L HA 0.099 4.439 4.340 0.000 0.000 0.285 196 L C 1.008 177.914 176.870 0.060 0.000 1.233 196 L CA 0.531 55.411 54.840 0.066 0.000 0.920 196 L CB -0.115 41.913 42.059 -0.051 0.000 1.176 196 L HN 0.637 nan 8.230 nan 0.000 0.495 197 T N 0.043 114.642 114.554 0.075 0.000 2.894 197 T HA 0.260 4.610 4.350 0.000 0.000 0.309 197 T C 0.279 175.004 174.700 0.042 0.000 1.208 197 T CA -0.579 61.553 62.100 0.054 0.000 1.016 197 T CB 1.408 70.310 68.868 0.057 0.000 1.192 197 T HN 0.695 nan 8.240 nan 0.000 0.491 198 D N 1.739 122.154 120.400 0.024 0.000 2.347 198 D HA -0.005 4.635 4.640 0.000 0.000 0.215 198 D C 0.469 176.774 176.300 0.008 0.000 0.976 198 D CA 0.493 54.499 54.000 0.010 0.000 0.884 198 D CB 0.097 40.898 40.800 0.002 0.000 0.915 198 D HN 0.318 nan 8.370 nan 0.000 0.526 199 Q N 1.243 121.054 119.800 0.018 0.000 2.431 199 Q HA 0.100 4.440 4.340 0.000 0.000 0.234 199 Q C 1.488 177.506 176.000 0.029 0.000 1.203 199 Q CA -0.066 55.747 55.803 0.017 0.000 0.902 199 Q CB 1.362 30.110 28.738 0.017 0.000 1.455 199 Q HN 0.374 nan 8.270 nan 0.000 0.515 200 V N 0.416 120.339 119.914 0.014 0.000 2.667 200 V HA -0.178 3.942 4.120 0.000 0.000 0.252 200 V C 1.972 178.094 176.094 0.047 0.000 1.065 200 V CA 1.856 64.165 62.300 0.015 0.000 1.083 200 V CB -1.158 30.639 31.823 -0.043 0.000 0.692 200 V HN 0.641 nan 8.190 nan 0.000 0.468 201 T N -0.898 113.672 114.554 0.026 0.000 2.759 201 T HA -0.275 4.075 4.350 0.000 0.000 0.269 201 T C 1.962 176.680 174.700 0.031 0.000 1.042 201 T CA 1.751 63.865 62.100 0.023 0.000 1.140 201 T CB -0.614 68.256 68.868 0.003 0.000 0.864 201 T HN 0.460 nan 8.240 nan 0.000 0.455 202 R N 0.366 120.886 120.500 0.033 0.000 2.103 202 R HA -0.033 4.307 4.340 0.000 0.000 0.242 202 R C 1.980 178.289 176.300 0.015 0.000 1.142 202 R CA 1.583 57.692 56.100 0.016 0.000 0.960 202 R CB -1.102 29.213 30.300 0.026 0.000 0.858 202 R HN 0.570 nan 8.270 nan 0.000 0.439 203 F N 0.916 120.815 119.950 -0.085 0.000 2.102 203 F HA -0.235 4.292 4.527 0.000 0.000 0.298 203 F C 1.677 177.367 175.800 -0.183 0.000 1.105 203 F CA 1.776 59.702 58.000 -0.123 0.000 1.239 203 F CB -0.205 38.740 39.000 -0.091 0.000 0.991 203 F HN 0.115 nan 8.300 nan 0.000 0.474 204 N N 0.736 119.513 118.700 0.128 0.000 2.120 204 N HA -0.179 4.561 4.740 0.000 0.000 0.188 204 N C 1.678 177.117 175.510 -0.119 0.000 1.024 204 N CA 1.747 54.799 53.050 0.002 0.000 0.852 204 N CB -0.608 37.893 38.487 0.024 0.000 1.003 204 N HN 0.492 nan 8.380 nan 0.000 0.424 205 E N 0.622 120.761 120.200 -0.102 0.000 2.051 205 E HA -0.137 4.213 4.350 0.000 0.000 0.192 205 E C 1.564 178.053 176.600 -0.186 0.000 0.991 205 E CA 0.842 57.172 56.400 -0.117 0.000 0.799 205 E CB 0.040 29.691 29.700 -0.082 0.000 0.748 205 E HN 0.335 nan 8.360 nan 0.000 0.449 206 E N 0.402 120.443 120.200 -0.265 0.000 2.107 206 E HA -0.101 4.249 4.350 0.000 0.000 0.191 206 E C 2.335 178.630 176.600 -0.509 0.000 0.982 206 E CA 0.527 56.715 56.400 -0.354 0.000 0.809 206 E CB -0.190 29.280 29.700 -0.382 0.000 0.756 206 E HN 0.115 nan 8.360 nan 0.000 0.459 207 V N 1.879 121.390 119.914 -0.672 0.000 2.407 207 V HA -0.235 3.885 4.120 0.000 0.000 0.248 207 V C 2.209 178.080 176.094 -0.371 0.000 1.055 207 V CA 1.637 63.500 62.300 -0.729 0.000 1.049 207 V CB -0.372 31.005 31.823 -0.743 0.000 0.662 207 V HN 0.223 nan 8.190 nan 0.000 0.455 208 K N -0.117 120.135 120.400 -0.246 0.000 2.209 208 K HA -0.139 4.181 4.320 0.000 0.000 0.204 208 K C 2.026 178.556 176.600 -0.117 0.000 1.048 208 K CA 1.008 57.214 56.287 -0.136 0.000 0.940 208 K CB -0.136 32.306 32.500 -0.096 0.000 0.729 208 K HN 0.436 nan 8.250 nan 0.000 0.451 209 K N 0.387 120.694 120.400 -0.155 0.000 2.365 209 K HA 0.020 4.340 4.320 0.000 0.000 0.197 209 K C 0.597 177.131 176.600 -0.111 0.000 1.042 209 K CA 0.277 56.494 56.287 -0.117 0.000 0.987 209 K CB 0.310 32.737 32.500 -0.123 0.000 0.779 209 K HN 0.102 nan 8.250 nan 0.000 0.484 210 Q N 0.953 120.660 119.800 -0.155 0.000 2.417 210 Q HA 0.115 4.455 4.340 0.000 0.000 0.241 210 Q C 0.173 176.154 176.000 -0.032 0.000 1.008 210 Q CA 0.235 55.972 55.803 -0.110 0.000 0.901 210 Q CB 1.622 30.265 28.738 -0.158 0.000 1.259 210 Q HN 0.163 nan 8.270 nan 0.000 0.489 211 S N -1.729 113.985 115.700 0.023 0.000 2.625 211 S HA 0.635 5.105 4.470 0.000 0.000 0.271 211 S C -0.265 174.412 174.600 0.129 0.000 1.161 211 S CA -0.853 57.384 58.200 0.063 0.000 0.820 211 S CB 0.685 63.931 63.200 0.076 0.000 1.137 211 S HN 0.447 nan 8.310 nan 0.000 0.470 212 V N -0.695 119.285 119.914 0.110 0.000 3.036 212 V HA 0.861 4.981 4.120 0.000 0.000 0.308 212 V C 0.485 176.716 176.094 0.228 0.000 1.070 212 V CA -0.146 62.237 62.300 0.140 0.000 1.056 212 V CB 1.068 32.911 31.823 0.032 0.000 1.084 212 V HN 1.094 nan 8.190 nan 0.000 0.471 213 S N 0.897 116.721 115.700 0.206 0.000 2.786 213 S HA 0.732 5.202 4.470 0.000 0.000 0.302 213 S C -0.424 174.285 174.600 0.181 0.000 1.080 213 S CA -1.008 57.307 58.200 0.192 0.000 0.925 213 S CB 1.500 64.772 63.200 0.120 0.000 1.325 213 S HN 1.076 nan 8.310 nan 0.000 0.576 214 R N 0.708 121.300 120.500 0.153 0.000 2.566 214 R HA 0.408 4.748 4.340 0.000 0.000 0.271 214 R C -1.606 174.825 176.300 0.219 0.000 1.071 214 R CA -0.347 55.858 56.100 0.175 0.000 0.915 214 R CB 1.117 31.483 30.300 0.111 0.000 1.228 214 R HN 0.991 nan 8.270 nan 0.000 0.449 215 N N 0.597 119.421 118.700 0.206 0.000 3.157 215 N HA 0.337 5.077 4.740 0.000 0.000 0.291 215 N C -0.048 175.508 175.510 0.078 0.000 1.515 215 N CA -1.007 52.125 53.050 0.136 0.000 0.807 215 N CB 1.820 40.361 38.487 0.091 0.000 1.672 215 N HN 0.465 nan 8.380 nan 0.000 0.592 216 R N -0.761 119.655 120.500 -0.141 0.000 2.087 216 R HA 0.036 4.376 4.340 0.000 0.000 0.216 216 R C -0.531 175.777 176.300 0.014 0.000 1.114 216 R CA 0.886 56.869 56.100 -0.195 0.000 1.002 216 R CB -0.215 29.812 30.300 -0.455 0.000 0.903 216 R HN 0.838 nan 8.270 nan 0.000 0.445 217 D N -0.890 119.559 120.400 0.081 0.000 2.217 217 D HA 0.175 4.815 4.640 0.000 0.000 0.248 217 D C 0.359 176.698 176.300 0.065 0.000 1.008 217 D CA -0.082 53.982 54.000 0.107 0.000 0.914 217 D CB 1.717 42.642 40.800 0.207 0.000 1.182 217 D HN 0.111 nan 8.370 nan 0.000 0.451 218 A N 1.678 124.507 122.820 0.014 0.000 1.855 218 A HA 0.096 4.416 4.320 0.000 0.000 0.215 218 A C -1.447 176.083 177.584 -0.090 0.000 1.191 218 A CA 0.672 52.698 52.037 -0.019 0.000 0.613 218 A CB -1.708 17.278 19.000 -0.022 0.000 0.829 218 A HN 0.586 nan 8.150 nan 0.000 0.442 219 P HA 0.195 nan 4.420 nan 0.000 0.265 219 P C -0.226 176.836 177.300 -0.396 0.000 1.193 219 P CA 0.387 63.206 63.100 -0.468 0.000 0.765 219 P CB 0.540 31.656 31.700 -0.973 0.000 0.823 220 E N 1.150 121.238 120.200 -0.187 0.000 2.281 220 E HA 0.424 4.774 4.350 0.000 0.000 0.257 220 E C 0.976 177.615 176.600 0.064 0.000 0.971 220 E CA -0.858 55.578 56.400 0.060 0.000 0.839 220 E CB 0.798 30.648 29.700 0.250 0.000 1.238 220 E HN 0.448 nan 8.360 nan 0.000 0.412 221 G N -0.241 108.686 108.800 0.211 0.000 3.591 221 G HA2 0.191 4.151 3.960 0.000 0.000 0.282 221 G HA3 0.191 4.151 3.960 0.000 0.000 0.282 221 G C 0.928 175.833 174.900 0.009 0.000 1.238 221 G CA 0.213 45.458 45.100 0.241 0.000 0.993 221 G HN 0.455 nan 8.290 nan 0.000 0.542 222 G N 0.503 109.112 108.800 -0.319 0.000 2.443 222 G HA2 -0.133 3.827 3.960 0.000 0.000 0.219 222 G HA3 -0.133 3.827 3.960 0.000 0.000 0.219 222 G C 1.326 176.161 174.900 -0.108 0.000 1.131 222 G CA 0.353 44.945 45.100 -0.846 0.000 0.775 222 G HN 0.341 nan 8.290 nan 0.000 0.547 223 F N 1.569 121.380 119.950 -0.230 0.000 2.234 223 F HA 0.043 4.570 4.527 0.000 0.000 0.299 223 F C 2.239 177.944 175.800 -0.159 0.000 1.087 223 F CA 0.262 58.132 58.000 -0.217 0.000 1.340 223 F CB -0.499 38.402 39.000 -0.165 0.000 1.031 223 F HN 0.096 nan 8.300 nan 0.000 0.500 224 D N 0.043 120.521 120.400 0.130 0.000 2.123 224 D HA -0.157 4.483 4.640 0.000 0.000 0.196 224 D C 2.358 178.477 176.300 -0.302 0.000 0.992 224 D CA 1.539 55.519 54.000 -0.033 0.000 0.833 224 D CB -0.377 40.494 40.800 0.118 0.000 0.954 224 D HN 0.205 nan 8.370 nan 0.000 0.455 225 A N 0.295 122.941 122.820 -0.290 0.000 1.929 225 A HA -0.072 4.248 4.320 0.000 0.000 0.216 225 A C 2.396 179.674 177.584 -0.510 0.000 1.176 225 A CA 0.627 52.315 52.037 -0.581 0.000 0.628 225 A CB -0.592 18.238 19.000 -0.284 0.000 0.816 225 A HN 0.193 nan 8.150 nan 0.000 0.444 226 I N -1.176 119.225 120.570 -0.282 0.000 2.208 226 I HA -0.307 3.863 4.170 0.000 0.000 0.245 226 I C 2.648 178.609 176.117 -0.260 0.000 1.097 226 I CA 1.925 63.077 61.300 -0.246 0.000 1.363 226 I CB -0.252 37.530 38.000 -0.363 0.000 1.051 226 I HN 0.402 nan 8.210 nan 0.000 0.413 227 M N 0.429 119.867 119.600 -0.271 0.000 2.080 227 M HA -0.241 4.239 4.480 0.000 0.000 0.260 227 M C 2.237 178.402 176.300 -0.226 0.000 1.068 227 M CA 1.903 57.069 55.300 -0.223 0.000 1.109 227 M CB -0.473 32.020 32.600 -0.178 0.000 1.342 227 M HN 0.107 nan 8.290 nan 0.000 0.405 228 Q N -0.396 119.200 119.800 -0.340 0.000 2.123 228 Q HA 0.057 4.397 4.340 0.000 0.000 0.199 228 Q C 2.239 178.134 176.000 -0.175 0.000 0.966 228 Q CA 1.733 57.378 55.803 -0.264 0.000 0.845 228 Q CB -0.932 27.613 28.738 -0.322 0.000 0.907 228 Q HN 0.677 nan 8.270 nan 0.000 0.439 229 A N 0.485 123.149 122.820 -0.259 0.000 2.019 229 A HA -0.136 4.184 4.320 0.000 0.000 0.219 229 A C 2.248 179.885 177.584 0.088 0.000 1.164 229 A CA 1.834 53.806 52.037 -0.107 0.000 0.644 229 A CB -0.545 18.458 19.000 0.005 0.000 0.805 229 A HN 0.353 nan 8.150 nan 0.000 0.449 230 T N -0.529 114.020 114.554 -0.008 0.000 2.770 230 T HA -0.058 4.292 4.350 0.000 0.000 0.258 230 T C 1.916 176.589 174.700 -0.045 0.000 1.039 230 T CA 1.877 63.946 62.100 -0.051 0.000 1.143 230 T CB -0.463 68.315 68.868 -0.150 0.000 0.866 230 T HN 0.639 nan 8.240 nan 0.000 0.428 231 V N -1.060 118.817 119.914 -0.062 0.000 3.354 231 V HA 0.220 4.340 4.120 0.000 0.000 0.258 231 V C 1.148 177.219 176.094 -0.037 0.000 1.159 231 V CA -0.093 62.173 62.300 -0.057 0.000 1.125 231 V CB -1.085 30.697 31.823 -0.069 0.000 0.774 231 V HN 0.380 nan 8.190 nan 0.000 0.464 232 c N 2.911 121.493 118.600 -0.031 0.000 2.615 232 c HA 0.311 4.881 4.570 0.000 0.000 0.503 232 c C 1.601 175.658 174.090 -0.055 0.000 1.039 232 c CA -0.528 55.773 56.329 -0.047 0.000 1.226 232 c CB -2.001 40.480 42.510 -0.049 0.000 1.447 232 c HN 0.558 nan 8.230 nan 0.000 0.572 233 D N 1.215 121.611 120.400 -0.007 0.000 2.087 233 D HA -0.186 4.454 4.640 0.000 0.000 0.192 233 D C 1.972 178.249 176.300 -0.038 0.000 0.993 233 D CA 1.414 55.436 54.000 0.038 0.000 0.828 233 D CB -0.130 40.687 40.800 0.030 0.000 0.968 233 D HN 0.698 nan 8.370 nan 0.000 0.448 234 E N 0.712 120.883 120.200 -0.048 0.000 2.085 234 E HA -0.180 4.170 4.350 0.000 0.000 0.194 234 E C 1.953 178.488 176.600 -0.108 0.000 0.994 234 E CA 1.025 57.391 56.400 -0.056 0.000 0.801 234 E CB 0.203 29.881 29.700 -0.035 0.000 0.743 234 E HN 0.121 nan 8.360 nan 0.000 0.453 235 K N 0.111 120.413 120.400 -0.163 0.000 2.025 235 K HA -0.124 4.196 4.320 0.000 0.000 0.207 235 K C 2.132 178.450 176.600 -0.469 0.000 1.049 235 K CA 1.061 57.179 56.287 -0.282 0.000 0.933 235 K CB -0.072 32.221 32.500 -0.344 0.000 0.714 235 K HN 0.234 nan 8.250 nan 0.000 0.438 236 I N -0.073 120.167 120.570 -0.551 0.000 2.315 236 I HA -0.094 4.076 4.170 0.000 0.000 0.248 236 I C 1.530 177.322 176.117 -0.542 0.000 1.117 236 I CA 1.438 62.303 61.300 -0.725 0.000 1.404 236 I CB -1.270 36.092 38.000 -1.064 0.000 1.071 236 I HN 0.491 nan 8.210 nan 0.000 0.419 237 G N 0.082 108.656 108.800 -0.377 0.000 2.132 237 G HA2 -0.251 3.709 3.960 0.000 0.000 0.228 237 G HA3 -0.251 3.709 3.960 0.000 0.000 0.228 237 G C -0.185 174.631 174.900 -0.141 0.000 1.000 237 G CA -0.318 44.666 45.100 -0.192 0.000 0.693 237 G HN 0.326 nan 8.290 nan 0.000 0.515 238 W N 0.680 121.906 121.300 -0.123 0.000 2.343 238 W HA 0.437 5.097 4.660 0.000 0.000 0.337 238 W C 1.325 177.802 176.519 -0.070 0.000 1.320 238 W CA -0.436 56.804 57.345 -0.175 0.000 1.290 238 W CB 0.399 29.584 29.460 -0.458 0.000 1.206 238 W HN 0.155 nan 8.180 nan 0.000 0.565 239 R N 2.418 123.117 120.500 0.331 0.000 2.500 239 R HA 0.117 4.457 4.340 0.000 0.000 0.277 239 R C 1.205 177.699 176.300 0.323 0.000 1.026 239 R CA -0.885 55.365 56.100 0.250 0.000 1.058 239 R CB 0.714 31.123 30.300 0.182 0.000 1.078 239 R HN 0.512 nan 8.270 nan 0.000 0.509 240 N N 1.253 120.060 118.700 0.179 0.000 2.043 240 N HA -0.131 4.609 4.740 0.000 0.000 0.193 240 N C -0.296 175.297 175.510 0.138 0.000 1.037 240 N CA 1.472 54.614 53.050 0.154 0.000 0.851 240 N CB 0.085 38.625 38.487 0.088 0.000 1.027 240 N HN 0.523 nan 8.380 nan 0.000 0.422 241 D N 0.572 121.012 120.400 0.067 0.000 2.736 241 D HA 0.488 5.128 4.640 0.000 0.000 0.293 241 D C -0.619 175.568 176.300 -0.188 0.000 1.241 241 D CA 0.016 54.014 54.000 -0.003 0.000 0.965 241 D CB 0.605 41.389 40.800 -0.028 0.000 0.992 241 D HN 0.132 nan 8.370 nan 0.000 0.510 242 A N 0.156 122.906 122.820 -0.118 0.000 2.604 242 A HA 0.537 4.858 4.320 0.000 0.000 0.295 242 A C -0.277 177.165 177.584 -0.236 0.000 1.067 242 A CA -0.695 51.232 52.037 -0.183 0.000 0.683 242 A CB 1.355 20.339 19.000 -0.027 0.000 1.281 242 A HN 0.058 nan 8.150 nan 0.000 0.407 243 S N 1.006 116.714 115.700 0.013 0.000 2.531 243 S HA 0.315 4.785 4.470 0.000 0.000 0.279 243 S C -0.478 174.100 174.600 -0.037 0.000 1.305 243 S CA 0.242 58.424 58.200 -0.030 0.000 1.058 243 S CB -0.235 63.105 63.200 0.234 0.000 0.899 243 S HN 0.608 nan 8.310 nan 0.000 0.493 244 H N 2.082 121.200 119.070 0.082 0.000 2.623 244 H HA 0.401 4.957 4.556 0.000 0.000 0.299 244 H C -0.573 174.774 175.328 0.032 0.000 1.052 244 H CA -0.645 55.420 56.048 0.029 0.000 1.231 244 H CB 0.486 29.951 29.762 -0.495 0.000 1.389 244 H HN 0.335 nan 8.280 nan 0.000 0.469 245 L N 4.226 125.673 121.223 0.372 0.000 2.296 245 L HA 0.287 4.627 4.340 0.000 0.000 0.286 245 L C -0.719 176.406 176.870 0.426 0.000 1.023 245 L CA -0.995 54.017 54.840 0.286 0.000 0.812 245 L CB 1.465 43.675 42.059 0.252 0.000 1.223 245 L HN 0.374 nan 8.230 nan 0.000 0.421 246 L N 5.143 126.537 121.223 0.284 0.000 2.277 246 L HA 0.416 4.756 4.340 0.000 0.000 0.284 246 L C -0.457 176.524 176.870 0.186 0.000 1.028 246 L CA -0.240 54.807 54.840 0.344 0.000 0.835 246 L CB 1.543 43.749 42.059 0.245 0.000 1.215 246 L HN 0.267 nan 8.230 nan 0.000 0.425 247 V N 6.368 126.379 119.914 0.163 0.000 2.334 247 V HA 0.255 4.375 4.120 0.000 0.000 0.267 247 V C -0.330 175.740 176.094 -0.041 0.000 1.040 247 V CA -0.331 61.982 62.300 0.021 0.000 0.866 247 V CB 0.549 32.338 31.823 -0.057 0.000 1.019 247 V HN 0.617 nan 8.190 nan 0.000 0.468 248 F N 5.637 125.532 119.950 -0.091 0.000 2.334 248 F HA 0.576 5.103 4.527 0.000 0.000 0.367 248 F C 0.612 176.403 175.800 -0.014 0.000 1.115 248 F CA -0.355 57.644 58.000 -0.002 0.000 1.116 248 F CB 1.116 40.171 39.000 0.092 0.000 1.230 248 F HN 0.533 nan 8.300 nan 0.000 0.484 249 T N 2.492 116.773 114.554 -0.455 0.000 2.779 249 T HA 0.663 5.013 4.350 0.000 0.000 0.280 249 T C -0.382 174.051 174.700 -0.444 0.000 0.987 249 T CA -0.532 61.348 62.100 -0.368 0.000 0.966 249 T CB 1.592 70.284 68.868 -0.294 0.000 0.933 249 T HN 0.702 nan 8.240 nan 0.000 0.442 250 T N 1.285 115.650 114.554 -0.315 0.000 2.840 250 T HA 0.448 4.798 4.350 0.000 0.000 0.317 250 T C -1.098 173.538 174.700 -0.106 0.000 1.401 250 T CA -0.537 61.432 62.100 -0.217 0.000 1.028 250 T CB 1.678 70.451 68.868 -0.157 0.000 1.317 250 T HN 0.759 nan 8.240 nan 0.000 0.495 251 D N 0.831 121.200 120.400 -0.051 0.000 2.501 251 D HA 0.537 5.177 4.640 0.000 0.000 0.224 251 D C 0.181 176.504 176.300 0.039 0.000 1.202 251 D CA -0.240 53.755 54.000 -0.009 0.000 0.829 251 D CB 0.403 41.187 40.800 -0.026 0.000 1.023 251 D HN 0.628 nan 8.370 nan 0.000 0.499 252 A N -0.057 122.812 122.820 0.082 0.000 2.527 252 A HA 0.558 4.878 4.320 0.000 0.000 0.293 252 A C -0.139 177.549 177.584 0.173 0.000 1.117 252 A CA -0.920 51.172 52.037 0.092 0.000 0.723 252 A CB 1.554 20.582 19.000 0.048 0.000 1.313 252 A HN -0.034 nan 8.150 nan 0.000 0.411 253 K N -0.166 120.265 120.400 0.052 0.000 2.339 253 K HA 0.288 4.608 4.320 0.000 0.000 0.260 253 K C -0.010 176.528 176.600 -0.102 0.000 0.989 253 K CA 0.696 56.953 56.287 -0.050 0.000 0.888 253 K CB 0.253 32.669 32.500 -0.139 0.000 0.983 253 K HN 0.644 nan 8.250 nan 0.000 0.515 254 T N 0.414 114.804 114.554 -0.273 0.000 2.893 254 T HA 0.191 4.541 4.350 0.000 0.000 0.291 254 T C -1.009 173.299 174.700 -0.654 0.000 1.028 254 T CA -0.821 60.995 62.100 -0.475 0.000 0.995 254 T CB 0.642 69.061 68.868 -0.748 0.000 1.051 254 T HN 0.374 nan 8.240 nan 0.000 0.470 255 H N 3.212 121.876 119.070 -0.676 0.000 2.629 255 H HA 0.521 5.077 4.556 0.000 0.000 0.357 255 H C 0.441 175.249 175.328 -0.866 0.000 1.121 255 H CA 0.043 55.574 56.048 -0.862 0.000 1.406 255 H CB 0.773 29.608 29.762 -1.544 0.000 1.456 255 H HN 0.645 nan 8.280 nan 0.000 0.579 256 I N -1.270 119.060 120.570 -0.400 0.000 3.145 256 I HA 0.662 4.832 4.170 0.000 0.000 0.313 256 I C -0.053 176.092 176.117 0.047 0.000 1.122 256 I CA -1.594 59.612 61.300 -0.156 0.000 0.987 256 I CB 1.647 39.578 38.000 -0.114 0.000 1.236 256 I HN 0.466 nan 8.210 nan 0.000 0.453 257 A N 2.880 125.779 122.820 0.131 0.000 2.540 257 A HA 0.413 4.734 4.320 0.000 0.000 0.239 257 A C 0.792 178.451 177.584 0.125 0.000 1.061 257 A CA 0.393 52.526 52.037 0.160 0.000 0.758 257 A CB -0.374 18.694 19.000 0.114 0.000 0.991 257 A HN 1.104 nan 8.150 nan 0.000 0.502 258 L N -0.042 121.265 121.223 0.141 0.000 4.110 258 L HA -0.257 4.083 4.340 0.000 0.000 0.404 258 L C 0.913 177.859 176.870 0.128 0.000 0.763 258 L CA 0.985 55.891 54.840 0.109 0.000 2.413 258 L CB -1.481 40.622 42.059 0.073 0.000 1.244 258 L HN 0.708 nan 8.230 nan 0.000 0.614 259 D N 0.702 121.205 120.400 0.171 0.000 2.218 259 D HA -0.053 4.587 4.640 0.000 0.000 0.204 259 D C 1.960 178.413 176.300 0.256 0.000 0.976 259 D CA 1.492 55.607 54.000 0.191 0.000 0.853 259 D CB -0.184 40.701 40.800 0.141 0.000 0.939 259 D HN 0.588 nan 8.370 nan 0.000 0.481 260 G N 0.402 109.378 108.800 0.292 0.000 2.498 260 G HA2 -0.294 3.666 3.960 0.000 0.000 0.219 260 G HA3 -0.294 3.666 3.960 0.000 0.000 0.219 260 G C 1.623 176.587 174.900 0.105 0.000 1.119 260 G CA 0.265 45.476 45.100 0.184 0.000 0.766 260 G HN 0.232 nan 8.290 nan 0.000 0.552 261 R N -0.626 119.926 120.500 0.087 0.000 2.159 261 R HA 0.017 4.357 4.340 0.000 0.000 0.237 261 R C 2.085 178.399 176.300 0.024 0.000 1.131 261 R CA 0.649 56.775 56.100 0.044 0.000 0.982 261 R CB -0.226 30.099 30.300 0.042 0.000 0.868 261 R HN 0.342 nan 8.270 nan 0.000 0.453 262 L N -0.349 120.899 121.223 0.042 0.000 2.275 262 L HA -0.031 4.309 4.340 0.000 0.000 0.215 262 L C 1.702 178.499 176.870 -0.121 0.000 1.119 262 L CA 1.411 56.237 54.840 -0.022 0.000 0.790 262 L CB -0.064 41.998 42.059 0.005 0.000 0.919 262 L HN 0.164 nan 8.230 nan 0.000 0.443 263 A N -1.309 121.453 122.820 -0.097 0.000 2.507 263 A HA 0.521 4.841 4.320 0.000 0.000 0.270 263 A C 1.626 179.171 177.584 -0.065 0.000 1.318 263 A CA 0.401 52.352 52.037 -0.143 0.000 0.924 263 A CB -0.583 18.361 19.000 -0.093 0.000 1.061 263 A HN 0.407 nan 8.150 nan 0.000 0.516 264 G N -0.376 108.398 108.800 -0.043 0.000 2.168 264 G HA2 -0.252 3.708 3.960 0.000 0.000 0.263 264 G HA3 -0.252 3.708 3.960 0.000 0.000 0.263 264 G C 0.097 174.984 174.900 -0.022 0.000 0.977 264 G CA 0.545 45.627 45.100 -0.030 0.000 0.659 264 G HN 0.549 nan 8.290 nan 0.000 0.533 265 I N 1.179 121.740 120.570 -0.015 0.000 2.304 265 I HA 0.398 4.568 4.170 0.000 0.000 0.291 265 I C 1.475 177.588 176.117 -0.007 0.000 1.018 265 I CA -0.391 60.895 61.300 -0.023 0.000 1.260 265 I CB 1.552 39.525 38.000 -0.045 0.000 1.390 265 I HN 0.091 nan 8.210 nan 0.000 0.475 266 V N 1.413 121.321 119.914 -0.009 0.000 3.562 266 V HA 0.170 4.290 4.120 0.000 0.000 0.270 266 V C 0.785 176.880 176.094 0.002 0.000 1.418 266 V CA -0.191 62.111 62.300 0.003 0.000 1.033 266 V CB -0.260 31.565 31.823 0.003 0.000 0.820 266 V HN 0.781 nan 8.190 nan 0.000 0.441 267 Q N 2.452 122.246 119.800 -0.010 0.000 2.255 267 Q HA 0.205 4.545 4.340 0.000 0.000 0.280 267 Q C -2.353 173.649 176.000 0.003 0.000 1.068 267 Q CA -1.404 54.394 55.803 -0.008 0.000 0.911 267 Q CB 0.909 29.633 28.738 -0.024 0.000 1.157 267 Q HN 0.343 nan 8.270 nan 0.000 0.380 268 P HA -0.061 nan 4.420 nan 0.000 0.269 268 P C -0.586 176.736 177.300 0.036 0.000 1.209 268 P CA -0.182 62.935 63.100 0.028 0.000 0.776 268 P CB 0.458 32.175 31.700 0.028 0.000 0.876 269 N N 2.604 121.334 118.700 0.051 0.000 2.412 269 N HA -0.089 4.651 4.740 0.000 0.000 0.258 269 N C 0.526 176.080 175.510 0.073 0.000 1.236 269 N CA 0.384 53.478 53.050 0.073 0.000 0.882 269 N CB 0.454 38.990 38.487 0.080 0.000 1.066 269 N HN 0.415 nan 8.380 nan 0.000 0.465 270 D N 2.266 122.731 120.400 0.108 0.000 2.339 270 D HA 0.077 4.717 4.640 0.000 0.000 0.217 270 D C 1.127 177.479 176.300 0.087 0.000 1.050 270 D CA 0.512 54.574 54.000 0.104 0.000 0.856 270 D CB -0.338 40.551 40.800 0.148 0.000 0.922 270 D HN 0.705 nan 8.370 nan 0.000 0.518 271 G N 0.073 108.924 108.800 0.084 0.000 2.168 271 G HA2 -0.283 3.677 3.960 0.000 0.000 0.257 271 G HA3 -0.283 3.677 3.960 0.000 0.000 0.257 271 G C 0.088 174.995 174.900 0.013 0.000 0.997 271 G CA 0.310 45.429 45.100 0.032 0.000 0.708 271 G HN 0.400 nan 8.290 nan 0.000 0.520 272 Q N -1.059 118.763 119.800 0.037 0.000 2.195 272 Q HA 0.527 4.867 4.340 0.000 0.000 0.250 272 Q C 0.532 176.422 176.000 -0.184 0.000 0.988 272 Q CA -0.701 55.047 55.803 -0.091 0.000 0.911 272 Q CB 1.571 30.221 28.738 -0.146 0.000 1.258 272 Q HN 0.416 nan 8.270 nan 0.000 0.475 273 c N 2.324 120.780 118.600 -0.240 0.000 2.576 273 c HA 0.220 4.790 4.570 0.000 0.000 0.401 273 c C 0.178 174.060 174.090 -0.347 0.000 1.314 273 c CA 0.019 56.246 56.329 -0.171 0.000 1.855 273 c CB -0.967 41.489 42.510 -0.091 0.000 2.537 273 c HN 0.621 nan 8.230 nan 0.000 0.578 274 H N 4.189 123.392 119.070 0.222 0.000 2.676 274 H HA 0.271 4.827 4.556 0.000 0.000 0.238 274 H C -0.736 174.764 175.328 0.287 0.000 1.276 274 H CA -0.032 56.161 56.048 0.240 0.000 0.983 274 H CB 0.433 30.356 29.762 0.269 0.000 2.000 274 H HN 0.445 nan 8.280 nan 0.000 0.584 275 V N 1.142 121.223 119.914 0.277 0.000 2.326 275 V HA 0.462 4.582 4.120 0.000 0.000 0.281 275 V C 0.900 177.076 176.094 0.137 0.000 1.015 275 V CA -0.586 61.855 62.300 0.235 0.000 0.823 275 V CB 1.401 33.354 31.823 0.216 0.000 1.009 275 V HN 0.543 nan 8.190 nan 0.000 0.436 276 G N 2.828 111.708 108.800 0.133 0.000 2.695 276 G HA2 0.349 4.309 3.960 0.000 0.000 0.213 276 G HA3 0.349 4.309 3.960 0.000 0.000 0.213 276 G C 1.261 176.211 174.900 0.083 0.000 1.406 276 G CA 0.422 45.577 45.100 0.091 0.000 1.049 276 G HN 0.717 nan 8.290 nan 0.000 0.573 277 S N 0.151 115.891 115.700 0.067 0.000 2.400 277 S HA -0.172 4.298 4.470 0.000 0.000 0.232 277 S C 1.568 176.212 174.600 0.072 0.000 1.025 277 S CA 1.988 60.224 58.200 0.060 0.000 0.993 277 S CB -0.397 62.829 63.200 0.044 0.000 0.808 277 S HN 0.710 nan 8.310 nan 0.000 0.478 278 D N 1.007 121.459 120.400 0.087 0.000 2.363 278 D HA -0.053 4.587 4.640 0.000 0.000 0.220 278 D C 0.018 176.427 176.300 0.181 0.000 0.994 278 D CA 0.360 54.428 54.000 0.112 0.000 0.890 278 D CB -0.546 40.309 40.800 0.092 0.000 0.906 278 D HN 0.299 nan 8.370 nan 0.000 0.530 279 N N 0.371 119.158 118.700 0.145 0.000 2.828 279 N HA -0.151 4.589 4.740 0.000 0.000 0.248 279 N C -0.665 174.844 175.510 -0.001 0.000 1.044 279 N CA 0.707 53.814 53.050 0.095 0.000 0.851 279 N CB -1.779 36.742 38.487 0.057 0.000 1.136 279 N HN 0.611 nan 8.380 nan 0.000 0.572 280 H N -0.551 118.545 119.070 0.043 0.000 2.502 280 H HA 0.170 4.726 4.556 0.000 0.000 0.338 280 H C -0.265 175.188 175.328 0.208 0.000 1.155 280 H CA -0.512 55.587 56.048 0.084 0.000 1.237 280 H CB 0.987 30.804 29.762 0.091 0.000 1.534 280 H HN 0.024 nan 8.280 nan 0.000 0.523 281 Y N 2.674 123.124 120.300 0.250 0.000 2.584 281 Y HA -0.061 4.489 4.550 0.000 0.000 0.351 281 Y C 1.278 177.312 175.900 0.223 0.000 1.030 281 Y CA -0.776 57.496 58.100 0.287 0.000 1.332 281 Y CB 0.347 39.040 38.460 0.390 0.000 1.148 281 Y HN 0.560 nan 8.280 nan 0.000 0.528 282 S N 3.466 119.192 115.700 0.044 0.000 2.461 282 S HA -0.018 4.452 4.470 0.000 0.000 0.228 282 S C 1.639 176.042 174.600 -0.329 0.000 1.005 282 S CA 0.460 58.610 58.200 -0.083 0.000 0.942 282 S CB -0.211 63.004 63.200 0.025 0.000 0.776 282 S HN 0.709 nan 8.310 nan 0.000 0.514 283 A N 1.022 123.410 122.820 -0.720 0.000 2.307 283 A HA 0.433 4.753 4.320 0.000 0.000 0.218 283 A C 1.986 179.094 177.584 -0.793 0.000 1.228 283 A CA 0.561 52.155 52.037 -0.738 0.000 0.857 283 A CB -0.779 17.779 19.000 -0.738 0.000 0.897 283 A HN 0.473 nan 8.150 nan 0.000 0.495 284 S N 0.509 115.684 115.700 -0.874 0.000 2.374 284 S HA -0.185 4.285 4.470 0.000 0.000 0.227 284 S C 2.061 176.550 174.600 -0.185 0.000 1.037 284 S CA 2.530 60.511 58.200 -0.363 0.000 1.024 284 S CB -0.316 62.867 63.200 -0.029 0.000 0.861 284 S HN 0.828 nan 8.310 nan 0.000 0.456 285 T N -2.065 112.392 114.554 -0.162 0.000 3.086 285 T HA 0.160 4.510 4.350 0.000 0.000 0.250 285 T C 1.234 175.869 174.700 -0.108 0.000 1.074 285 T CA 0.914 62.958 62.100 -0.093 0.000 0.988 285 T CB 0.136 68.974 68.868 -0.051 0.000 0.988 285 T HN 0.493 nan 8.240 nan 0.000 0.530 286 T N -1.717 112.745 114.554 -0.155 0.000 3.004 286 T HA 0.480 4.830 4.350 0.000 0.000 0.266 286 T C 0.058 174.680 174.700 -0.129 0.000 0.986 286 T CA -0.587 61.435 62.100 -0.131 0.000 0.902 286 T CB -0.001 68.784 68.868 -0.139 0.000 1.118 286 T HN 0.383 nan 8.240 nan 0.000 0.522 287 M N 2.083 121.593 119.600 -0.151 0.000 2.395 287 M HA 0.525 5.005 4.480 0.000 0.000 0.307 287 M C -1.634 174.602 176.300 -0.106 0.000 1.091 287 M CA -0.703 54.536 55.300 -0.103 0.000 0.919 287 M CB 2.152 34.698 32.600 -0.091 0.000 1.662 287 M HN -0.099 nan 8.290 nan 0.000 0.440 288 D N 2.062 122.423 120.400 -0.065 0.000 2.360 288 D HA 0.141 4.781 4.640 0.000 0.000 0.242 288 D C -1.052 175.216 176.300 -0.053 0.000 1.184 288 D CA 0.430 54.382 54.000 -0.080 0.000 0.930 288 D CB 0.555 41.366 40.800 0.019 0.000 1.161 288 D HN 0.414 nan 8.370 nan 0.000 0.447 289 Y N 1.048 121.382 120.300 0.058 0.000 2.652 289 Y HA 0.134 4.684 4.550 0.000 0.000 0.344 289 Y C -1.288 174.653 175.900 0.069 0.000 1.254 289 Y CA -0.962 57.180 58.100 0.069 0.000 1.480 289 Y CB -0.282 38.207 38.460 0.049 0.000 1.345 289 Y HN 0.248 nan 8.280 nan 0.000 0.617 290 P HA 0.102 nan 4.420 nan 0.000 0.277 290 P C -0.767 176.601 177.300 0.113 0.000 1.240 290 P CA -0.543 62.627 63.100 0.116 0.000 0.798 290 P CB 1.313 33.037 31.700 0.039 0.000 0.979 291 S N 1.632 117.365 115.700 0.055 0.000 2.632 291 S HA 0.234 4.704 4.470 0.000 0.000 0.267 291 S C 1.605 176.191 174.600 -0.023 0.000 1.276 291 S CA -0.743 57.479 58.200 0.038 0.000 0.998 291 S CB 0.093 63.309 63.200 0.027 0.000 0.953 291 S HN 0.355 nan 8.310 nan 0.000 0.547 292 L N 1.067 122.272 121.223 -0.030 0.000 2.083 292 L HA 0.020 4.360 4.340 0.000 0.000 0.209 292 L C 2.832 179.655 176.870 -0.078 0.000 1.083 292 L CA 1.463 56.252 54.840 -0.086 0.000 0.752 292 L CB -1.366 40.673 42.059 -0.033 0.000 0.899 292 L HN 0.982 nan 8.230 nan 0.000 0.433 293 G N 0.279 109.055 108.800 -0.040 0.000 2.421 293 G HA2 -0.274 3.686 3.960 0.000 0.000 0.216 293 G HA3 -0.274 3.686 3.960 0.000 0.000 0.216 293 G C 1.574 176.443 174.900 -0.052 0.000 1.171 293 G CA 0.664 45.741 45.100 -0.038 0.000 0.775 293 G HN 0.192 nan 8.290 nan 0.000 0.543 294 L N 0.435 121.629 121.223 -0.048 0.000 2.017 294 L HA 0.067 4.407 4.340 0.000 0.000 0.208 294 L C 2.921 179.738 176.870 -0.088 0.000 1.073 294 L CA 1.679 56.488 54.840 -0.052 0.000 0.745 294 L CB -0.424 41.617 42.059 -0.030 0.000 0.894 294 L HN 0.253 nan 8.230 nan 0.000 0.432 295 M N -1.439 118.084 119.600 -0.128 0.000 2.065 295 M HA -0.244 4.236 4.480 0.000 0.000 0.259 295 M C 2.055 178.251 176.300 -0.173 0.000 1.069 295 M CA 2.501 57.685 55.300 -0.194 0.000 1.110 295 M CB -0.830 31.582 32.600 -0.314 0.000 1.328 295 M HN 0.268 nan 8.290 nan 0.000 0.405 296 T N -0.175 114.293 114.554 -0.143 0.000 2.699 296 T HA -0.227 4.123 4.350 0.000 0.000 0.268 296 T C 1.627 176.267 174.700 -0.100 0.000 1.036 296 T CA 1.787 63.817 62.100 -0.116 0.000 1.147 296 T CB -0.392 68.428 68.868 -0.081 0.000 0.862 296 T HN 0.508 nan 8.240 nan 0.000 0.446 297 E N 0.645 120.794 120.200 -0.084 0.000 2.058 297 E HA -0.211 4.139 4.350 0.000 0.000 0.194 297 E C 2.077 178.628 176.600 -0.083 0.000 0.997 297 E CA 1.023 57.381 56.400 -0.070 0.000 0.801 297 E CB 0.091 29.759 29.700 -0.054 0.000 0.746 297 E HN 0.198 nan 8.360 nan 0.000 0.450 298 K N 0.412 120.752 120.400 -0.099 0.000 2.062 298 K HA -0.056 4.264 4.320 0.000 0.000 0.205 298 K C 2.353 178.868 176.600 -0.141 0.000 1.051 298 K CA 0.595 56.816 56.287 -0.110 0.000 0.941 298 K CB -0.454 31.979 32.500 -0.112 0.000 0.719 298 K HN 0.259 nan 8.250 nan 0.000 0.440 299 L N 0.907 122.033 121.223 -0.161 0.000 2.042 299 L HA -0.185 4.155 4.340 0.000 0.000 0.210 299 L C 2.673 179.449 176.870 -0.156 0.000 1.076 299 L CA 1.384 56.112 54.840 -0.187 0.000 0.749 299 L CB -0.543 41.398 42.059 -0.197 0.000 0.893 299 L HN 0.160 nan 8.230 nan 0.000 0.432 300 S N -0.910 114.718 115.700 -0.119 0.000 2.387 300 S HA -0.239 4.231 4.470 0.000 0.000 0.226 300 S C 2.001 176.554 174.600 -0.078 0.000 1.026 300 S CA 1.364 59.510 58.200 -0.089 0.000 0.972 300 S CB -0.081 63.076 63.200 -0.072 0.000 0.814 300 S HN 0.459 nan 8.310 nan 0.000 0.477 301 Q N -0.181 119.570 119.800 -0.082 0.000 2.119 301 Q HA -0.030 4.310 4.340 0.000 0.000 0.201 301 Q C 1.260 177.213 176.000 -0.079 0.000 0.972 301 Q CA 1.000 56.763 55.803 -0.067 0.000 0.847 301 Q CB 0.017 28.716 28.738 -0.064 0.000 0.903 301 Q HN 0.262 nan 8.270 nan 0.000 0.433 302 K N 0.577 120.901 120.400 -0.127 0.000 2.444 302 K HA 0.064 4.384 4.320 0.000 0.000 0.193 302 K C 0.078 176.569 176.600 -0.182 0.000 1.024 302 K CA 0.042 56.220 56.287 -0.182 0.000 1.077 302 K CB 0.201 32.536 32.500 -0.276 0.000 0.833 302 K HN 0.249 nan 8.250 nan 0.000 0.517 303 N N 1.251 119.881 118.700 -0.116 0.000 2.756 303 N HA -0.166 4.574 4.740 0.000 0.000 0.248 303 N C -1.025 174.442 175.510 -0.072 0.000 1.062 303 N CA 0.539 53.560 53.050 -0.049 0.000 0.696 303 N CB -0.769 37.743 38.487 0.041 0.000 0.946 303 N HN 0.117 nan 8.380 nan 0.000 0.548 304 I N 1.036 121.474 120.570 -0.220 0.000 2.359 304 I HA 0.188 4.358 4.170 0.000 0.000 0.294 304 I C 0.548 176.551 176.117 -0.190 0.000 0.987 304 I CA -0.441 60.670 61.300 -0.314 0.000 1.225 304 I CB 1.270 38.994 38.000 -0.460 0.000 1.366 304 I HN 0.008 nan 8.210 nan 0.000 0.466 305 N N 5.406 124.026 118.700 -0.133 0.000 2.500 305 N HA 0.290 5.031 4.740 0.000 0.000 0.236 305 N C -0.474 174.974 175.510 -0.103 0.000 1.022 305 N CA -0.498 52.496 53.050 -0.093 0.000 0.935 305 N CB 0.912 39.382 38.487 -0.029 0.000 1.147 305 N HN 0.368 nan 8.380 nan 0.000 0.512 306 L N 3.638 124.747 121.223 -0.191 0.000 2.367 306 L HA 0.403 4.743 4.340 0.000 0.000 0.275 306 L C -0.777 175.912 176.870 -0.302 0.000 1.129 306 L CA 0.102 54.773 54.840 -0.283 0.000 0.839 306 L CB 0.219 41.989 42.059 -0.482 0.000 1.133 306 L HN 0.489 nan 8.230 nan 0.000 0.453 307 I N 5.955 126.401 120.570 -0.206 0.000 2.382 307 I HA 0.207 4.377 4.170 0.000 0.000 0.285 307 I C -0.905 175.176 176.117 -0.059 0.000 1.007 307 I CA -0.481 60.754 61.300 -0.109 0.000 1.142 307 I CB 0.830 38.840 38.000 0.017 0.000 1.289 307 I HN 0.392 nan 8.210 nan 0.000 0.453 308 F N 5.277 125.285 119.950 0.096 0.000 2.439 308 F HA 0.349 4.876 4.527 0.000 0.000 0.356 308 F C 0.889 176.716 175.800 0.045 0.000 1.161 308 F CA -0.643 57.419 58.000 0.104 0.000 1.151 308 F CB 0.690 39.750 39.000 0.100 0.000 1.222 308 F HN 0.445 nan 8.300 nan 0.000 0.558 309 A N 4.797 127.733 122.820 0.194 0.000 2.582 309 A HA 0.655 4.975 4.320 0.000 0.000 0.336 309 A C -0.507 177.079 177.584 0.004 0.000 1.445 309 A CA -0.484 51.598 52.037 0.075 0.000 0.997 309 A CB -0.192 18.821 19.000 0.021 0.000 1.148 309 A HN 0.610 nan 8.150 nan 0.000 0.514 310 V N 0.335 120.250 119.914 0.001 0.000 2.914 310 V HA 0.878 4.998 4.120 0.000 0.000 0.314 310 V C 0.177 176.275 176.094 0.007 0.000 1.084 310 V CA -0.257 62.007 62.300 -0.060 0.000 0.963 310 V CB 1.204 32.911 31.823 -0.193 0.000 1.025 310 V HN 0.834 nan 8.190 nan 0.000 0.432 311 T N -1.227 113.333 114.554 0.009 0.000 2.813 311 T HA 0.259 4.609 4.350 0.000 0.000 0.297 311 T C 0.948 175.674 174.700 0.045 0.000 1.036 311 T CA 0.643 62.758 62.100 0.025 0.000 1.044 311 T CB 1.030 69.907 68.868 0.015 0.000 0.993 311 T HN 1.035 nan 8.240 nan 0.000 0.535 312 E N 1.212 121.434 120.200 0.037 0.000 2.130 312 E HA -0.281 4.069 4.350 0.000 0.000 0.196 312 E C 1.897 178.520 176.600 0.038 0.000 0.998 312 E CA 1.685 58.108 56.400 0.038 0.000 0.806 312 E CB -0.190 29.527 29.700 0.028 0.000 0.738 312 E HN 0.781 nan 8.360 nan 0.000 0.459 313 N N 0.372 119.093 118.700 0.035 0.000 2.453 313 N HA -0.122 4.618 4.740 0.000 0.000 0.183 313 N C 1.512 177.045 175.510 0.040 0.000 1.041 313 N CA 1.551 54.618 53.050 0.029 0.000 0.900 313 N CB 0.326 38.827 38.487 0.023 0.000 0.961 313 N HN 0.266 nan 8.380 nan 0.000 0.443 314 V N -3.869 116.094 119.914 0.081 0.000 3.252 314 V HA 0.283 4.403 4.120 0.000 0.000 0.320 314 V C 1.778 177.988 176.094 0.193 0.000 1.459 314 V CA -0.385 61.995 62.300 0.133 0.000 1.095 314 V CB -0.072 31.904 31.823 0.256 0.000 0.997 314 V HN -0.094 nan 8.190 nan 0.000 0.469 315 V N 1.698 121.688 119.914 0.126 0.000 2.332 315 V HA -0.211 3.909 4.120 0.000 0.000 0.248 315 V C 2.638 178.785 176.094 0.088 0.000 1.055 315 V CA 2.810 65.186 62.300 0.126 0.000 1.038 315 V CB -0.878 30.995 31.823 0.083 0.000 0.651 315 V HN 0.616 nan 8.190 nan 0.000 0.450 316 N N 0.071 118.787 118.700 0.026 0.000 2.120 316 N HA -0.139 4.601 4.740 0.000 0.000 0.188 316 N C 1.647 177.094 175.510 -0.105 0.000 1.024 316 N CA 1.333 54.367 53.050 -0.027 0.000 0.852 316 N CB -0.621 37.841 38.487 -0.041 0.000 1.003 316 N HN 0.414 nan 8.380 nan 0.000 0.424 317 L N 0.054 121.179 121.223 -0.164 0.000 1.990 317 L HA -0.174 4.166 4.340 0.000 0.000 0.213 317 L C 1.663 178.230 176.870 -0.506 0.000 1.072 317 L CA 1.740 56.333 54.840 -0.412 0.000 0.755 317 L CB -0.785 41.001 42.059 -0.454 0.000 0.889 317 L HN 0.155 nan 8.230 nan 0.000 0.432 318 Y N -1.225 118.964 120.300 -0.185 0.000 2.457 318 Y HA -0.112 4.438 4.550 0.000 0.000 0.292 318 Y C 2.656 178.526 175.900 -0.051 0.000 1.125 318 Y CA 1.084 59.069 58.100 -0.193 0.000 1.254 318 Y CB -0.302 37.999 38.460 -0.265 0.000 1.012 318 Y HN 0.338 nan 8.280 nan 0.000 0.555 319 Q N 0.839 120.708 119.800 0.114 0.000 2.124 319 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 319 Q C 1.504 177.536 176.000 0.053 0.000 0.977 319 Q CA 1.867 57.736 55.803 0.109 0.000 0.850 319 Q CB -0.236 28.543 28.738 0.069 0.000 0.901 319 Q HN 0.295 nan 8.270 nan 0.000 0.429 320 N N -1.094 117.570 118.700 -0.060 0.000 2.216 320 N HA -0.107 4.633 4.740 0.000 0.000 0.183 320 N C 1.258 176.745 175.510 -0.038 0.000 1.017 320 N CA 1.087 54.077 53.050 -0.101 0.000 0.861 320 N CB -0.392 37.963 38.487 -0.220 0.000 0.986 320 N HN 0.298 nan 8.380 nan 0.000 0.428 321 Y N 1.100 121.374 120.300 -0.044 0.000 2.181 321 Y HA -0.071 4.479 4.550 0.000 0.000 0.288 321 Y C 2.752 178.728 175.900 0.126 0.000 1.146 321 Y CA 0.639 58.740 58.100 0.001 0.000 1.164 321 Y CB -0.991 37.418 38.460 -0.084 0.000 0.982 321 Y HN 0.043 nan 8.280 nan 0.000 0.515 322 S N -0.054 115.869 115.700 0.372 0.000 2.400 322 S HA -0.222 4.248 4.470 0.000 0.000 0.232 322 S C 1.780 176.492 174.600 0.186 0.000 1.025 322 S CA 1.590 60.008 58.200 0.363 0.000 0.993 322 S CB -0.266 63.159 63.200 0.376 0.000 0.808 322 S HN 0.585 nan 8.310 nan 0.000 0.478 323 E N -0.036 120.244 120.200 0.134 0.000 2.347 323 E HA 0.038 4.388 4.350 0.000 0.000 0.196 323 E C 1.565 178.207 176.600 0.070 0.000 1.008 323 E CA 0.693 57.140 56.400 0.079 0.000 0.852 323 E CB -0.027 29.703 29.700 0.049 0.000 0.783 323 E HN 0.532 nan 8.360 nan 0.000 0.505 324 L N 0.170 121.453 121.223 0.099 0.000 2.554 324 L HA 0.193 4.533 4.340 0.000 0.000 0.225 324 L C 0.634 177.538 176.870 0.058 0.000 1.104 324 L CA 0.109 54.996 54.840 0.079 0.000 0.866 324 L CB 0.525 42.651 42.059 0.111 0.000 1.047 324 L HN 0.026 nan 8.230 nan 0.000 0.468 325 I N 1.058 121.672 120.570 0.072 0.000 2.557 325 I HA 0.263 4.433 4.170 0.000 0.000 0.277 325 I C -2.356 173.765 176.117 0.007 0.000 1.106 325 I CA -1.835 59.476 61.300 0.020 0.000 1.180 325 I CB 0.791 38.796 38.000 0.008 0.000 1.392 325 I HN -0.219 nan 8.210 nan 0.000 0.506 326 P HA 0.089 nan 4.420 nan 0.000 0.266 326 P C 1.049 178.330 177.300 -0.030 0.000 1.195 326 P CA 0.782 63.876 63.100 -0.010 0.000 0.768 326 P CB 0.755 32.444 31.700 -0.018 0.000 0.838 327 G N 1.188 109.973 108.800 -0.025 0.000 2.213 327 G HA2 -0.207 3.753 3.960 0.000 0.000 0.236 327 G HA3 -0.207 3.753 3.960 0.000 0.000 0.236 327 G C 0.301 175.167 174.900 -0.056 0.000 0.991 327 G CA 0.220 45.296 45.100 -0.040 0.000 0.629 327 G HN 0.807 nan 8.290 nan 0.000 0.517 328 T N -0.240 114.279 114.554 -0.058 0.000 2.904 328 T HA 0.617 4.967 4.350 0.000 0.000 0.290 328 T C 0.084 174.769 174.700 -0.026 0.000 1.018 328 T CA 0.584 62.619 62.100 -0.109 0.000 1.075 328 T CB 2.144 70.916 68.868 -0.161 0.000 0.986 328 T HN 0.355 nan 8.240 nan 0.000 0.523 329 T N 1.507 116.034 114.554 -0.044 0.000 2.908 329 T HA 0.622 4.972 4.350 0.000 0.000 0.290 329 T C -0.652 174.114 174.700 0.110 0.000 1.034 329 T CA -0.688 61.435 62.100 0.038 0.000 1.010 329 T CB 1.613 70.495 68.868 0.024 0.000 1.068 329 T HN 0.634 nan 8.240 nan 0.000 0.481 330 V N 1.332 121.341 119.914 0.158 0.000 2.588 330 V HA 0.870 4.990 4.120 0.000 0.000 0.304 330 V C 0.304 176.484 176.094 0.144 0.000 1.042 330 V CA -0.639 61.791 62.300 0.217 0.000 0.877 330 V CB 1.937 33.916 31.823 0.259 0.000 0.996 330 V HN 1.095 nan 8.190 nan 0.000 0.425 331 G N 2.172 111.054 108.800 0.137 0.000 2.620 331 G HA2 0.602 4.562 3.960 0.000 0.000 0.301 331 G HA3 0.602 4.562 3.960 0.000 0.000 0.301 331 G C -1.267 173.686 174.900 0.088 0.000 1.347 331 G CA -0.637 44.523 45.100 0.099 0.000 0.971 331 G HN 0.529 nan 8.290 nan 0.000 0.488 332 V N 2.255 122.212 119.914 0.072 0.000 2.372 332 V HA 0.218 4.338 4.120 0.000 0.000 0.261 332 V C 0.257 176.382 176.094 0.050 0.000 1.055 332 V CA -0.501 61.835 62.300 0.059 0.000 0.930 332 V CB 0.659 32.513 31.823 0.052 0.000 1.031 332 V HN 0.600 nan 8.190 nan 0.000 0.479 333 L N 5.506 126.755 121.223 0.042 0.000 2.349 333 L HA 0.424 4.764 4.340 0.000 0.000 0.275 333 L C 0.774 177.661 176.870 0.029 0.000 1.115 333 L CA 0.888 55.749 54.840 0.035 0.000 0.820 333 L CB 1.468 43.537 42.059 0.017 0.000 1.135 333 L HN 0.677 nan 8.230 nan 0.000 0.445 334 S N 4.726 120.445 115.700 0.031 0.000 2.589 334 S HA 0.114 4.584 4.470 0.000 0.000 0.265 334 S C 1.339 175.946 174.600 0.011 0.000 1.342 334 S CA -0.537 57.678 58.200 0.025 0.000 1.005 334 S CB 0.598 63.815 63.200 0.030 0.000 0.909 334 S HN 0.662 nan 8.310 nan 0.000 0.555 335 M N 1.844 121.447 119.600 0.006 0.000 2.549 335 M HA -0.059 4.421 4.480 0.000 0.000 0.260 335 M C 0.639 176.922 176.300 -0.029 0.000 1.076 335 M CA 1.054 56.347 55.300 -0.010 0.000 1.090 335 M CB -1.328 31.269 32.600 -0.005 0.000 1.418 335 M HN 0.681 nan 8.290 nan 0.000 0.486 336 D N -2.825 117.567 120.400 -0.015 0.000 2.540 336 D HA 0.144 4.784 4.640 0.000 0.000 0.229 336 D C 0.291 176.591 176.300 -0.001 0.000 1.250 336 D CA 0.036 54.020 54.000 -0.027 0.000 0.817 336 D CB -0.112 40.689 40.800 0.002 0.000 1.060 336 D HN 0.027 nan 8.370 nan 0.000 0.508 337 S N -0.713 114.998 115.700 0.017 0.000 3.358 337 S HA -0.271 4.199 4.470 0.000 0.000 0.309 337 S C 1.467 176.107 174.600 0.066 0.000 1.247 337 S CA 0.996 59.229 58.200 0.055 0.000 0.961 337 S CB -2.125 61.127 63.200 0.087 0.000 1.074 337 S HN 0.645 nan 8.310 nan 0.000 0.625 338 S N 1.712 117.442 115.700 0.052 0.000 2.447 338 S HA -0.135 4.335 4.470 0.000 0.000 0.233 338 S C 1.295 175.927 174.600 0.053 0.000 1.006 338 S CA 0.988 59.220 58.200 0.053 0.000 0.957 338 S CB -0.357 62.872 63.200 0.048 0.000 0.773 338 S HN 0.863 nan 8.310 nan 0.000 0.507 339 N N 0.903 119.636 118.700 0.056 0.000 2.214 339 N HA 0.119 4.859 4.740 0.000 0.000 0.214 339 N C 1.059 176.612 175.510 0.071 0.000 1.132 339 N CA 0.079 53.162 53.050 0.056 0.000 0.856 339 N CB 0.019 38.535 38.487 0.049 0.000 1.020 339 N HN 0.293 nan 8.380 nan 0.000 0.509 340 V N 0.612 120.582 119.914 0.094 0.000 2.626 340 V HA -0.047 4.073 4.120 0.000 0.000 0.252 340 V C 2.107 178.274 176.094 0.122 0.000 1.067 340 V CA 0.852 63.231 62.300 0.132 0.000 1.081 340 V CB -0.454 31.503 31.823 0.224 0.000 0.686 340 V HN 0.393 nan 8.190 nan 0.000 0.468 341 L N -0.235 121.040 121.223 0.086 0.000 1.970 341 L HA -0.245 4.095 4.340 0.000 0.000 0.212 341 L C 2.621 179.526 176.870 0.058 0.000 1.071 341 L CA 2.475 57.349 54.840 0.057 0.000 0.751 341 L CB -0.344 41.731 42.059 0.027 0.000 0.889 341 L HN 0.387 nan 8.230 nan 0.000 0.432 342 Q N -0.113 119.720 119.800 0.055 0.000 2.170 342 Q HA -0.237 4.103 4.340 0.000 0.000 0.203 342 Q C 2.073 178.113 176.000 0.068 0.000 0.976 342 Q CA 1.738 57.574 55.803 0.055 0.000 0.858 342 Q CB -0.456 28.310 28.738 0.048 0.000 0.907 342 Q HN 0.620 nan 8.270 nan 0.000 0.433 343 L N -0.665 120.604 121.223 0.075 0.000 2.046 343 L HA -0.153 4.187 4.340 0.000 0.000 0.208 343 L C 1.974 178.901 176.870 0.095 0.000 1.077 343 L CA 1.182 56.072 54.840 0.082 0.000 0.747 343 L CB -0.143 41.966 42.059 0.084 0.000 0.896 343 L HN 0.312 nan 8.230 nan 0.000 0.432 344 I N -1.466 119.166 120.570 0.103 0.000 2.202 344 I HA -0.256 3.914 4.170 0.000 0.000 0.242 344 I C 2.350 178.540 176.117 0.122 0.000 1.091 344 I CA 0.943 62.312 61.300 0.114 0.000 1.368 344 I CB -0.221 37.848 38.000 0.115 0.000 1.058 344 I HN 0.050 nan 8.210 nan 0.000 0.410 345 V N 0.856 120.830 119.914 0.100 0.000 2.343 345 V HA -0.283 3.837 4.120 0.000 0.000 0.247 345 V C 2.009 178.192 176.094 0.147 0.000 1.051 345 V CA 1.957 64.327 62.300 0.117 0.000 1.036 345 V CB -0.677 31.191 31.823 0.075 0.000 0.654 345 V HN 0.391 nan 8.190 nan 0.000 0.451 346 D N 0.535 120.999 120.400 0.108 0.000 2.117 346 D HA -0.101 4.540 4.640 0.000 0.000 0.198 346 D C 2.237 178.594 176.300 0.094 0.000 0.982 346 D CA 1.616 55.670 54.000 0.090 0.000 0.828 346 D CB -0.428 40.414 40.800 0.070 0.000 0.967 346 D HN 0.426 nan 8.370 nan 0.000 0.464 347 A N 0.153 123.038 122.820 0.109 0.000 1.902 347 A HA -0.229 4.091 4.320 0.000 0.000 0.217 347 A C 2.201 179.858 177.584 0.122 0.000 1.181 347 A CA 1.343 53.441 52.037 0.102 0.000 0.623 347 A CB -1.097 17.965 19.000 0.104 0.000 0.818 347 A HN 0.332 nan 8.150 nan 0.000 0.443 348 Y N 0.909 121.232 120.300 0.038 0.000 2.128 348 Y HA -0.114 4.437 4.550 0.000 0.000 0.284 348 Y C 2.463 178.379 175.900 0.026 0.000 1.154 348 Y CA 1.565 59.685 58.100 0.034 0.000 1.149 348 Y CB -0.876 37.608 38.460 0.041 0.000 0.976 348 Y HN 0.220 nan 8.280 nan 0.000 0.505 349 G N 0.063 108.866 108.800 0.005 0.000 2.440 349 G HA2 -0.329 3.631 3.960 0.000 0.000 0.218 349 G HA3 -0.329 3.631 3.960 0.000 0.000 0.218 349 G C 1.773 176.616 174.900 -0.094 0.000 1.154 349 G CA 1.058 46.108 45.100 -0.083 0.000 0.767 349 G HN 0.412 nan 8.290 nan 0.000 0.552 350 K N -0.091 120.288 120.400 -0.036 0.000 2.057 350 K HA 0.059 4.379 4.320 0.000 0.000 0.206 350 K C 2.521 179.091 176.600 -0.050 0.000 1.050 350 K CA 0.734 57.006 56.287 -0.025 0.000 0.935 350 K CB -0.222 32.284 32.500 0.010 0.000 0.715 350 K HN 0.355 nan 8.250 nan 0.000 0.439 351 I N 0.869 121.397 120.570 -0.070 0.000 2.264 351 I HA -0.262 3.908 4.170 0.000 0.000 0.248 351 I C 1.757 177.799 176.117 -0.125 0.000 1.111 351 I CA 1.330 62.581 61.300 -0.083 0.000 1.382 351 I CB -0.027 37.932 38.000 -0.069 0.000 1.060 351 I HN 0.085 nan 8.210 nan 0.000 0.418 352 R N 0.038 120.403 120.500 -0.225 0.000 2.426 352 R HA 0.085 4.425 4.340 0.000 0.000 0.263 352 R C 1.775 178.008 176.300 -0.111 0.000 0.961 352 R CA 0.548 56.520 56.100 -0.214 0.000 1.086 352 R CB 0.036 30.093 30.300 -0.405 0.000 1.186 352 R HN 0.373 nan 8.270 nan 0.000 0.537 353 S N -0.239 115.417 115.700 -0.073 0.000 2.558 353 S HA 0.090 4.560 4.470 0.000 0.000 0.217 353 S C 0.471 175.067 174.600 -0.008 0.000 0.975 353 S CA -0.026 58.153 58.200 -0.035 0.000 0.912 353 S CB 0.243 63.426 63.200 -0.027 0.000 0.776 353 S HN 0.070 nan 8.310 nan 0.000 0.526 354 K N 0.817 121.220 120.400 0.004 0.000 2.259 354 K HA 0.708 5.028 4.320 0.000 0.000 0.252 354 K C -1.645 174.985 176.600 0.051 0.000 0.936 354 K CA -0.730 55.569 56.287 0.020 0.000 0.810 354 K CB 2.544 35.048 32.500 0.008 0.000 1.143 354 K HN -0.026 nan 8.250 nan 0.000 0.427 355 V N 2.057 121.997 119.914 0.043 0.000 2.483 355 V HA 0.301 4.421 4.120 0.000 0.000 0.297 355 V C -0.867 175.219 176.094 -0.014 0.000 1.027 355 V CA -0.647 61.657 62.300 0.005 0.000 0.855 355 V CB 1.495 33.338 31.823 0.034 0.000 0.995 355 V HN 0.794 nan 8.190 nan 0.000 0.424 356 E N 4.983 125.111 120.200 -0.120 0.000 2.241 356 E HA 0.520 4.870 4.350 0.000 0.000 0.263 356 E C -1.369 175.056 176.600 -0.291 0.000 0.882 356 E CA -0.653 55.641 56.400 -0.176 0.000 0.769 356 E CB 1.629 31.257 29.700 -0.120 0.000 1.185 356 E HN 0.615 nan 8.360 nan 0.000 0.415 357 L N 4.261 125.211 121.223 -0.454 0.000 2.371 357 L HA 0.312 4.652 4.340 0.000 0.000 0.272 357 L C 0.389 177.046 176.870 -0.355 0.000 1.124 357 L CA -0.031 54.524 54.840 -0.476 0.000 0.816 357 L CB 0.754 42.379 42.059 -0.724 0.000 1.129 357 L HN 0.621 nan 8.230 nan 0.000 0.448 358 E N 2.378 122.444 120.200 -0.223 0.000 2.288 358 E HA 0.594 4.944 4.350 0.000 0.000 0.268 358 E C -1.668 174.904 176.600 -0.047 0.000 0.885 358 E CA -0.890 55.425 56.400 -0.141 0.000 0.767 358 E CB 2.436 32.077 29.700 -0.097 0.000 1.220 358 E HN 0.239 nan 8.360 nan 0.000 0.427 359 V N 2.792 122.707 119.914 0.001 0.000 2.370 359 V HA 0.456 4.576 4.120 0.000 0.000 0.283 359 V C -0.072 176.072 176.094 0.084 0.000 1.023 359 V CA -0.729 61.635 62.300 0.107 0.000 0.857 359 V CB 1.043 32.946 31.823 0.134 0.000 0.985 359 V HN 0.626 nan 8.190 nan 0.000 0.443 360 R N 2.949 123.526 120.500 0.128 0.000 2.589 360 R HA 0.474 4.814 4.340 0.000 0.000 0.293 360 R C -0.511 175.874 176.300 0.141 0.000 0.963 360 R CA -0.690 55.467 56.100 0.096 0.000 0.905 360 R CB 1.181 31.523 30.300 0.069 0.000 1.144 360 R HN 0.817 nan 8.270 nan 0.000 0.459 361 D N 1.194 121.646 120.400 0.088 0.000 2.800 361 D HA -0.186 4.454 4.640 0.000 0.000 0.232 361 D C -0.497 175.855 176.300 0.087 0.000 1.137 361 D CA 0.618 54.673 54.000 0.091 0.000 0.718 361 D CB -0.841 40.028 40.800 0.115 0.000 1.084 361 D HN 0.213 nan 8.370 nan 0.000 0.432 362 L N 1.204 122.421 121.223 -0.010 0.000 2.418 362 L HA 0.254 4.594 4.340 0.000 0.000 0.274 362 L C -1.780 175.026 176.870 -0.107 0.000 1.135 362 L CA -0.691 54.034 54.840 -0.192 0.000 0.870 362 L CB 0.299 42.207 42.059 -0.251 0.000 1.154 362 L HN -0.230 nan 8.230 nan 0.000 0.462 363 P HA -0.008 nan 4.420 nan 0.000 0.265 363 P C 0.368 177.640 177.300 -0.046 0.000 1.187 363 P CA 0.030 63.123 63.100 -0.012 0.000 0.766 363 P CB 0.645 32.395 31.700 0.082 0.000 0.820 364 E N 2.417 122.592 120.200 -0.041 0.000 2.097 364 E HA -0.258 4.092 4.350 0.000 0.000 0.196 364 E C 1.468 178.037 176.600 -0.052 0.000 1.000 364 E CA 1.612 57.984 56.400 -0.047 0.000 0.804 364 E CB -0.073 29.600 29.700 -0.046 0.000 0.740 364 E HN 0.523 nan 8.360 nan 0.000 0.454 365 E N -0.173 119.990 120.200 -0.062 0.000 2.481 365 E HA -0.040 4.310 4.350 0.000 0.000 0.195 365 E C 0.263 176.852 176.600 -0.018 0.000 1.047 365 E CA 0.121 56.483 56.400 -0.063 0.000 0.867 365 E CB -0.007 29.614 29.700 -0.131 0.000 0.858 365 E HN 0.291 nan 8.360 nan 0.000 0.513 366 L N 2.232 123.449 121.223 -0.010 0.000 2.307 366 L HA 0.254 4.594 4.340 0.000 0.000 0.282 366 L C 0.033 176.866 176.870 -0.063 0.000 1.051 366 L CA -0.587 54.245 54.840 -0.013 0.000 0.804 366 L CB 1.522 43.548 42.059 -0.056 0.000 1.197 366 L HN 0.043 nan 8.230 nan 0.000 0.431 367 S N 3.885 119.557 115.700 -0.047 0.000 2.526 367 S HA 0.770 5.240 4.470 0.000 0.000 0.293 367 S C -0.890 173.671 174.600 -0.066 0.000 1.092 367 S CA -0.908 57.262 58.200 -0.051 0.000 0.980 367 S CB 1.976 65.159 63.200 -0.027 0.000 1.048 367 S HN 0.440 nan 8.310 nan 0.000 0.483 368 L N 2.351 123.535 121.223 -0.066 0.000 2.346 368 L HA 0.755 5.095 4.340 0.000 0.000 0.274 368 L C -0.110 176.674 176.870 -0.144 0.000 1.007 368 L CA -0.690 54.052 54.840 -0.163 0.000 0.818 368 L CB 2.371 44.315 42.059 -0.192 0.000 1.284 368 L HN 0.978 nan 8.230 nan 0.000 0.424 369 S N 0.771 116.288 115.700 -0.304 0.000 2.542 369 S HA 0.805 5.275 4.470 0.000 0.000 0.293 369 S C -1.054 173.318 174.600 -0.379 0.000 1.089 369 S CA -0.676 57.428 58.200 -0.160 0.000 0.961 369 S CB 1.711 64.862 63.200 -0.081 0.000 1.062 369 S HN 0.288 nan 8.310 nan 0.000 0.483 370 F N 1.143 121.069 119.950 -0.040 0.000 2.540 370 F HA 0.565 5.092 4.527 0.000 0.000 0.317 370 F C -0.170 175.647 175.800 0.029 0.000 1.104 370 F CA -0.762 57.230 58.000 -0.014 0.000 0.913 370 F CB 2.140 41.129 39.000 -0.018 0.000 1.170 370 F HN 0.504 nan 8.300 nan 0.000 0.450 371 N N 1.826 120.651 118.700 0.209 0.000 2.399 371 N HA 0.646 5.386 4.740 0.000 0.000 0.280 371 N C -1.080 174.534 175.510 0.174 0.000 1.008 371 N CA -0.636 52.501 53.050 0.145 0.000 0.894 371 N CB 2.097 40.613 38.487 0.047 0.000 1.273 371 N HN 0.677 nan 8.380 nan 0.000 0.486 372 A N 1.230 124.125 122.820 0.125 0.000 2.305 372 A HA 0.666 4.986 4.320 0.000 0.000 0.322 372 A C -0.220 177.252 177.584 -0.186 0.000 1.187 372 A CA -0.382 51.600 52.037 -0.092 0.000 0.825 372 A CB 0.403 19.409 19.000 0.009 0.000 1.164 372 A HN 0.460 nan 8.150 nan 0.000 0.498 373 T N 2.522 116.881 114.554 -0.326 0.000 2.821 373 T HA 0.374 4.724 4.350 0.000 0.000 0.307 373 T C 0.323 174.866 174.700 -0.261 0.000 1.034 373 T CA -0.457 61.510 62.100 -0.221 0.000 0.953 373 T CB 0.311 69.078 68.868 -0.168 0.000 0.968 373 T HN 0.706 nan 8.240 nan 0.000 0.462 374 c N 2.430 120.923 118.600 -0.178 0.000 3.566 374 c HA 0.472 5.042 4.570 0.000 0.000 0.156 374 c C 1.042 175.076 174.090 -0.093 0.000 2.372 374 c CA -0.557 55.683 56.329 -0.149 0.000 1.111 374 c CB -0.700 41.748 42.510 -0.104 0.000 1.685 374 c HN 0.752 nan 8.230 nan 0.000 0.631 375 L N 2.687 123.873 121.223 -0.063 0.000 2.313 375 L HA 0.280 4.620 4.340 0.000 0.000 0.282 375 L C 0.209 177.054 176.870 -0.041 0.000 1.092 375 L CA 0.494 55.308 54.840 -0.043 0.000 0.831 375 L CB -0.099 41.942 42.059 -0.030 0.000 1.159 375 L HN 0.652 nan 8.230 nan 0.000 0.442 376 N N 2.973 121.651 118.700 -0.036 0.000 1.518 376 N HA -0.362 4.378 4.740 0.000 0.000 0.146 376 N C -0.343 175.142 175.510 -0.042 0.000 0.621 376 N CA 2.222 55.252 53.050 -0.032 0.000 1.108 376 N CB -0.687 37.785 38.487 -0.024 0.000 1.310 376 N HN 0.781 nan 8.380 nan 0.000 0.457 377 N N 1.065 119.741 118.700 -0.039 0.000 2.536 377 N HA 0.088 4.828 4.740 0.000 0.000 0.286 377 N C -1.446 174.038 175.510 -0.044 0.000 1.577 377 N CA -0.027 52.996 53.050 -0.045 0.000 0.883 377 N CB 0.490 38.955 38.487 -0.036 0.000 1.390 377 N HN 0.355 nan 8.380 nan 0.000 0.491 378 E N 1.232 121.405 120.200 -0.045 0.000 2.180 378 E HA 0.159 4.509 4.350 0.000 0.000 0.283 378 E C 0.138 176.710 176.600 -0.047 0.000 1.061 378 E CA -0.214 56.163 56.400 -0.038 0.000 0.861 378 E CB 2.011 31.692 29.700 -0.032 0.000 1.056 378 E HN -0.063 nan 8.360 nan 0.000 0.407 379 V N 5.385 125.276 119.914 -0.038 0.000 2.498 379 V HA 0.256 4.376 4.120 0.000 0.000 0.279 379 V C 0.537 176.619 176.094 -0.020 0.000 1.048 379 V CA -0.249 62.030 62.300 -0.036 0.000 0.967 379 V CB 0.539 32.345 31.823 -0.028 0.000 0.988 379 V HN 0.497 nan 8.190 nan 0.000 0.473 380 I N 7.558 128.120 120.570 -0.013 0.000 2.439 380 I HA 0.370 4.540 4.170 0.000 0.000 0.283 380 I C -2.340 173.794 176.117 0.028 0.000 1.023 380 I CA -1.884 59.419 61.300 0.005 0.000 1.100 380 I CB 2.462 40.464 38.000 0.004 0.000 1.238 380 I HN 0.458 nan 8.210 nan 0.000 0.445 381 P HA 0.163 nan 4.420 nan 0.000 0.274 381 P C 0.595 177.927 177.300 0.053 0.000 1.231 381 P CA 0.238 63.361 63.100 0.039 0.000 0.790 381 P CB 1.083 32.797 31.700 0.022 0.000 0.951 382 G N 0.343 109.189 108.800 0.077 0.000 2.246 382 G HA2 -0.189 3.771 3.960 0.000 0.000 0.273 382 G HA3 -0.189 3.771 3.960 0.000 0.000 0.273 382 G C -0.588 174.363 174.900 0.085 0.000 1.055 382 G CA -0.068 45.083 45.100 0.084 0.000 0.851 382 G HN 0.541 nan 8.290 nan 0.000 0.500 383 L N -0.688 120.608 121.223 0.122 0.000 2.464 383 L HA 0.656 4.996 4.340 0.000 0.000 0.266 383 L C 0.653 177.596 176.870 0.123 0.000 0.965 383 L CA -0.514 54.379 54.840 0.088 0.000 0.833 383 L CB 1.676 43.788 42.059 0.087 0.000 1.296 383 L HN 0.223 nan 8.230 nan 0.000 0.405 384 K N 0.982 121.321 120.400 -0.102 0.000 2.455 384 K HA 0.415 4.735 4.320 0.000 0.000 0.206 384 K C -0.475 175.938 176.600 -0.312 0.000 1.027 384 K CA -0.150 55.875 56.287 -0.436 0.000 1.113 384 K CB 0.609 32.446 32.500 -1.105 0.000 0.850 384 K HN 0.446 nan 8.250 nan 0.000 0.503 385 S N -0.306 115.442 115.700 0.081 0.000 2.564 385 S HA 0.610 5.080 4.470 0.000 0.000 0.274 385 S C -0.797 173.924 174.600 0.202 0.000 1.124 385 S CA -0.802 57.471 58.200 0.122 0.000 0.869 385 S CB 1.579 64.768 63.200 -0.017 0.000 1.105 385 S HN 0.232 nan 8.310 nan 0.000 0.472 386 c N 2.603 121.301 118.600 0.164 0.000 2.441 386 c HA 0.730 5.300 4.570 0.000 0.000 0.318 386 c C -0.074 174.035 174.090 0.032 0.000 1.222 386 c CA -0.595 55.770 56.329 0.060 0.000 1.474 386 c CB 0.581 43.093 42.510 0.002 0.000 2.125 386 c HN 0.934 nan 8.230 nan 0.000 0.479 387 M N 1.449 121.056 119.600 0.012 0.000 2.724 387 M HA 0.605 5.085 4.480 0.000 0.000 0.310 387 M C 1.012 177.310 176.300 -0.002 0.000 1.217 387 M CA 0.182 55.485 55.300 0.005 0.000 0.894 387 M CB 1.637 34.240 32.600 0.004 0.000 1.719 387 M HN 0.967 nan 8.290 nan 0.000 0.479 388 G N 0.977 109.775 108.800 -0.003 0.000 2.136 388 G HA2 -0.187 3.773 3.960 0.000 0.000 0.242 388 G HA3 -0.187 3.773 3.960 0.000 0.000 0.242 388 G C -0.317 174.578 174.900 -0.009 0.000 0.989 388 G CA -0.265 44.832 45.100 -0.005 0.000 0.682 388 G HN 0.542 nan 8.290 nan 0.000 0.522 389 L N 0.031 121.248 121.223 -0.009 0.000 2.418 389 L HA 0.519 4.859 4.340 0.000 0.000 0.265 389 L C 0.613 177.475 176.870 -0.015 0.000 1.143 389 L CA -0.572 54.262 54.840 -0.011 0.000 0.809 389 L CB 0.615 42.672 42.059 -0.004 0.000 1.124 389 L HN -0.075 nan 8.230 nan 0.000 0.456 390 K N 2.051 122.444 120.400 -0.012 0.000 2.156 390 K HA 0.509 4.829 4.320 0.000 0.000 0.250 390 K C -0.395 176.197 176.600 -0.014 0.000 0.955 390 K CA -0.871 55.409 56.287 -0.012 0.000 0.855 390 K CB 1.982 34.481 32.500 -0.002 0.000 1.101 390 K HN 0.421 nan 8.250 nan 0.000 0.434 391 I N 1.244 121.801 120.570 -0.021 0.000 2.752 391 I HA -0.118 4.052 4.170 0.000 0.000 0.289 391 I C 1.379 177.499 176.117 0.006 0.000 1.197 391 I CA 1.472 62.762 61.300 -0.017 0.000 1.432 391 I CB -0.103 37.896 38.000 -0.002 0.000 1.359 391 I HN 1.013 nan 8.210 nan 0.000 0.571 392 G N 3.996 112.801 108.800 0.008 0.000 2.238 392 G HA2 -0.195 3.766 3.960 0.000 0.000 0.217 392 G HA3 -0.195 3.766 3.960 0.000 0.000 0.217 392 G C -0.042 174.866 174.900 0.013 0.000 0.996 392 G CA -0.485 44.624 45.100 0.016 0.000 0.632 392 G HN 0.569 nan 8.290 nan 0.000 0.503 393 D N 1.317 121.723 120.400 0.009 0.000 2.339 393 D HA 0.573 5.213 4.640 0.000 0.000 0.245 393 D C 0.301 176.607 176.300 0.011 0.000 1.115 393 D CA 0.699 54.702 54.000 0.004 0.000 0.917 393 D CB 1.227 42.024 40.800 -0.004 0.000 1.192 393 D HN 0.109 nan 8.370 nan 0.000 0.428 394 T N 0.481 115.034 114.554 -0.002 0.000 2.841 394 T HA 0.554 4.904 4.350 0.000 0.000 0.283 394 T C -0.034 174.641 174.700 -0.043 0.000 1.000 394 T CA -0.760 61.337 62.100 -0.004 0.000 0.977 394 T CB 1.376 70.243 68.868 -0.000 0.000 0.979 394 T HN 0.232 nan 8.240 nan 0.000 0.446 395 V N 0.196 120.071 119.914 -0.065 0.000 3.113 395 V HA 1.032 5.152 4.120 0.000 0.000 0.316 395 V C -0.378 175.588 176.094 -0.212 0.000 1.125 395 V CA -1.048 61.147 62.300 -0.176 0.000 1.026 395 V CB 1.924 33.594 31.823 -0.254 0.000 1.080 395 V HN 1.011 nan 8.190 nan 0.000 0.444 396 S N 0.501 115.973 115.700 -0.381 0.000 2.595 396 S HA 0.889 5.359 4.470 0.000 0.000 0.281 396 S C -1.341 172.919 174.600 -0.566 0.000 1.117 396 S CA -0.612 57.419 58.200 -0.282 0.000 0.873 396 S CB 1.773 64.902 63.200 -0.118 0.000 1.108 396 S HN 0.781 nan 8.310 nan 0.000 0.477 397 F N 0.719 120.674 119.950 0.008 0.000 2.556 397 F HA 0.635 5.162 4.527 0.000 0.000 0.314 397 F C 0.496 176.279 175.800 -0.029 0.000 1.106 397 F CA -0.689 57.326 58.000 0.025 0.000 0.911 397 F CB 2.396 41.459 39.000 0.106 0.000 1.190 397 F HN 0.672 nan 8.300 nan 0.000 0.448 398 S N 3.807 119.565 115.700 0.096 0.000 2.513 398 S HA 0.740 5.210 4.470 0.000 0.000 0.276 398 S C -0.682 173.810 174.600 -0.180 0.000 1.254 398 S CA -0.297 57.872 58.200 -0.051 0.000 1.053 398 S CB 0.058 63.226 63.200 -0.054 0.000 0.958 398 S HN 0.495 nan 8.310 nan 0.000 0.491 399 I N 3.704 123.998 120.570 -0.459 0.000 2.498 399 I HA 0.429 4.599 4.170 0.000 0.000 0.290 399 I C -0.245 175.403 176.117 -0.782 0.000 1.032 399 I CA -0.519 60.291 61.300 -0.815 0.000 1.073 399 I CB 2.102 39.403 38.000 -1.165 0.000 1.251 399 I HN 0.607 nan 8.210 nan 0.000 0.426 400 E N 5.107 124.977 120.200 -0.550 0.000 2.185 400 E HA 0.658 5.008 4.350 0.000 0.000 0.261 400 E C -1.150 175.339 176.600 -0.185 0.000 0.879 400 E CA -0.739 55.485 56.400 -0.294 0.000 0.756 400 E CB 1.737 31.329 29.700 -0.180 0.000 1.152 400 E HN 0.728 nan 8.360 nan 0.000 0.416 401 A N 5.030 127.845 122.820 -0.008 0.000 2.289 401 A HA 0.369 4.689 4.320 0.000 0.000 0.298 401 A C -0.447 177.163 177.584 0.043 0.000 1.208 401 A CA -0.436 51.647 52.037 0.078 0.000 0.845 401 A CB 0.553 19.710 19.000 0.261 0.000 1.125 401 A HN 0.560 nan 8.150 nan 0.000 0.517 402 K N 3.225 123.639 120.400 0.022 0.000 2.604 402 K HA 0.480 4.800 4.320 0.000 0.000 0.247 402 K C -1.510 175.118 176.600 0.047 0.000 0.956 402 K CA -0.403 55.899 56.287 0.026 0.000 0.896 402 K CB 1.635 34.135 32.500 -0.001 0.000 1.131 402 K HN 0.535 nan 8.250 nan 0.000 0.440 403 V N 4.844 124.810 119.914 0.087 0.000 2.509 403 V HA 0.435 4.555 4.120 0.000 0.000 0.284 403 V C -0.619 175.505 176.094 0.050 0.000 1.047 403 V CA -0.460 61.910 62.300 0.116 0.000 0.952 403 V CB 1.061 33.044 31.823 0.265 0.000 0.988 403 V HN 0.758 nan 8.190 nan 0.000 0.469 404 R N 4.859 125.366 120.500 0.011 0.000 2.265 404 R HA 0.627 4.967 4.340 0.000 0.000 0.328 404 R C 0.585 176.862 176.300 -0.039 0.000 0.969 404 R CA 0.510 56.603 56.100 -0.012 0.000 0.832 404 R CB 1.291 31.579 30.300 -0.020 0.000 1.139 404 R HN 1.278 nan 8.270 nan 0.000 0.457 405 G N 1.746 110.529 108.800 -0.029 0.000 2.569 405 G HA2 -0.313 3.647 3.960 0.000 0.000 0.259 405 G HA3 -0.313 3.647 3.960 0.000 0.000 0.259 405 G C -0.903 173.956 174.900 -0.069 0.000 1.263 405 G CA -0.093 44.979 45.100 -0.046 0.000 0.928 405 G HN 0.753 nan 8.290 nan 0.000 0.572 406 c N 3.203 121.741 118.600 -0.102 0.000 2.344 406 c HA 0.766 5.336 4.570 0.000 0.000 0.326 406 c C -1.633 172.324 174.090 -0.221 0.000 1.201 406 c CA -0.745 55.498 56.329 -0.143 0.000 1.410 406 c CB 0.517 42.982 42.510 -0.075 0.000 2.070 406 c HN 0.874 nan 8.230 nan 0.000 0.445 407 P HA 0.163 nan 4.420 nan 0.000 0.274 407 P C 0.444 177.598 177.300 -0.243 0.000 1.246 407 P CA 0.061 62.932 63.100 -0.382 0.000 0.795 407 P CB 0.713 32.013 31.700 -0.668 0.000 1.006 408 Q N 0.645 120.348 119.800 -0.161 0.000 2.050 408 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 408 Q C -0.030 175.931 176.000 -0.066 0.000 0.980 408 Q CA 1.360 57.107 55.803 -0.093 0.000 0.840 408 Q CB 0.069 28.766 28.738 -0.069 0.000 0.898 408 Q HN 0.544 nan 8.270 nan 0.000 0.424 409 E N 1.037 121.198 120.200 -0.065 0.000 2.152 409 E HA 0.049 4.399 4.350 0.000 0.000 0.285 409 E C 0.249 176.898 176.600 0.081 0.000 1.043 409 E CA -0.365 56.039 56.400 0.007 0.000 0.839 409 E CB 1.052 30.768 29.700 0.028 0.000 1.069 409 E HN 0.108 nan 8.360 nan 0.000 0.399 410 K N 1.954 122.428 120.400 0.123 0.000 2.418 410 K HA 0.059 4.379 4.320 0.000 0.000 0.195 410 K C -0.022 176.753 176.600 0.291 0.000 1.035 410 K CA 0.706 57.135 56.287 0.236 0.000 1.003 410 K CB 0.332 32.906 32.500 0.123 0.000 0.793 410 K HN 0.513 nan 8.250 nan 0.000 0.494 411 E N 0.728 121.045 120.200 0.196 0.000 2.241 411 E HA 0.305 4.655 4.350 0.000 0.000 0.263 411 E C -0.841 175.841 176.600 0.137 0.000 0.882 411 E CA -0.344 56.128 56.400 0.120 0.000 0.769 411 E CB 1.871 31.599 29.700 0.045 0.000 1.185 411 E HN -0.087 nan 8.360 nan 0.000 0.415 412 K N 0.691 121.173 120.400 0.136 0.000 2.439 412 K HA 0.613 4.933 4.320 0.000 0.000 0.260 412 K C -1.028 175.626 176.600 0.091 0.000 1.032 412 K CA -0.920 55.455 56.287 0.146 0.000 0.882 412 K CB 2.170 34.825 32.500 0.258 0.000 1.420 412 K HN 0.517 nan 8.250 nan 0.000 0.455 413 S N 0.293 116.060 115.700 0.112 0.000 2.541 413 S HA 0.782 5.252 4.470 0.000 0.000 0.271 413 S C -1.047 173.661 174.600 0.181 0.000 1.133 413 S CA -0.913 57.328 58.200 0.068 0.000 0.876 413 S CB 0.853 64.034 63.200 -0.032 0.000 1.105 413 S HN 0.593 nan 8.310 nan 0.000 0.470 414 F N -0.912 119.031 119.950 -0.012 0.000 2.675 414 F HA 0.914 5.441 4.527 0.000 0.000 0.324 414 F C -0.874 174.927 175.800 0.002 0.000 1.106 414 F CA -0.900 57.104 58.000 0.007 0.000 0.970 414 F CB 1.292 40.309 39.000 0.029 0.000 1.385 414 F HN 0.532 nan 8.300 nan 0.000 0.489 415 T N 2.334 116.972 114.554 0.140 0.000 2.841 415 T HA 0.618 4.968 4.350 0.000 0.000 0.283 415 T C -0.696 174.089 174.700 0.141 0.000 1.000 415 T CA -0.432 61.681 62.100 0.021 0.000 0.977 415 T CB 1.424 70.314 68.868 0.036 0.000 0.979 415 T HN 0.524 nan 8.240 nan 0.000 0.446 416 I N 3.046 123.656 120.570 0.067 0.000 2.362 416 I HA 0.508 4.678 4.170 0.000 0.000 0.289 416 I C -0.070 176.056 176.117 0.015 0.000 0.994 416 I CA -0.697 60.668 61.300 0.110 0.000 1.158 416 I CB 1.525 39.636 38.000 0.186 0.000 1.315 416 I HN 0.317 nan 8.210 nan 0.000 0.451 417 K N 8.201 128.585 120.400 -0.027 0.000 2.482 417 K HA 0.533 4.853 4.320 0.000 0.000 0.251 417 K C -2.838 173.671 176.600 -0.152 0.000 0.936 417 K CA -1.727 54.521 56.287 -0.065 0.000 0.791 417 K CB 2.694 35.184 32.500 -0.017 0.000 1.213 417 K HN 0.114 nan 8.250 nan 0.000 0.428 418 P HA 0.017 nan 4.420 nan 0.000 0.271 418 P C -0.643 176.554 177.300 -0.172 0.000 1.216 418 P CA -0.523 62.334 63.100 -0.406 0.000 0.771 418 P CB 0.758 31.827 31.700 -1.052 0.000 0.864 419 V N 3.597 123.441 119.914 -0.116 0.000 2.540 419 V HA 0.215 4.335 4.120 0.000 0.000 0.297 419 V C 1.715 177.878 176.094 0.114 0.000 1.024 419 V CA 2.033 64.324 62.300 -0.015 0.000 1.105 419 V CB -0.498 31.299 31.823 -0.043 0.000 0.938 419 V HN 1.043 nan 8.190 nan 0.000 0.482 420 G N 4.384 113.250 108.800 0.110 0.000 2.199 420 G HA2 -0.252 3.708 3.960 0.000 0.000 0.254 420 G HA3 -0.252 3.708 3.960 0.000 0.000 0.254 420 G C -0.080 174.916 174.900 0.160 0.000 0.982 420 G CA -0.150 45.017 45.100 0.112 0.000 0.632 420 G HN 0.481 nan 8.290 nan 0.000 0.529 421 F N 0.611 120.517 119.950 -0.074 0.000 2.377 421 F HA 0.582 5.109 4.527 0.000 0.000 0.328 421 F C 1.531 177.308 175.800 -0.039 0.000 1.094 421 F CA -0.560 57.392 58.000 -0.080 0.000 1.093 421 F CB 1.394 40.346 39.000 -0.081 0.000 1.214 421 F HN -0.061 nan 8.300 nan 0.000 0.518 422 K N 0.392 120.858 120.400 0.111 0.000 2.062 422 K HA -0.057 4.264 4.320 0.000 0.000 0.205 422 K C -0.153 176.514 176.600 0.113 0.000 1.051 422 K CA 0.895 57.243 56.287 0.100 0.000 0.941 422 K CB 0.019 32.578 32.500 0.099 0.000 0.719 422 K HN 0.572 nan 8.250 nan 0.000 0.440 423 D N 0.942 121.430 120.400 0.147 0.000 2.313 423 D HA 0.093 4.733 4.640 0.000 0.000 0.247 423 D C -0.096 176.258 176.300 0.091 0.000 1.094 423 D CA 0.180 54.249 54.000 0.115 0.000 0.925 423 D CB 1.742 42.617 40.800 0.125 0.000 1.188 423 D HN 0.284 nan 8.370 nan 0.000 0.430 424 S N 0.127 115.854 115.700 0.045 0.000 2.671 424 S HA 0.549 5.019 4.470 0.000 0.000 0.277 424 S C -1.268 173.329 174.600 -0.006 0.000 1.165 424 S CA -1.003 57.204 58.200 0.012 0.000 0.822 424 S CB 1.530 64.734 63.200 0.007 0.000 1.150 424 S HN 0.250 nan 8.310 nan 0.000 0.479 425 L N 1.406 122.615 121.223 -0.022 0.000 2.280 425 L HA 0.646 4.986 4.340 0.000 0.000 0.287 425 L C -1.212 175.582 176.870 -0.126 0.000 1.023 425 L CA -0.713 54.094 54.840 -0.054 0.000 0.819 425 L CB 0.369 42.419 42.059 -0.014 0.000 1.212 425 L HN 0.744 nan 8.230 nan 0.000 0.420 426 I N 5.929 126.406 120.570 -0.155 0.000 2.325 426 I HA 0.278 4.448 4.170 0.000 0.000 0.291 426 I C -0.513 175.392 176.117 -0.352 0.000 1.019 426 I CA -0.618 60.548 61.300 -0.224 0.000 1.302 426 I CB 1.376 39.287 38.000 -0.148 0.000 1.401 426 I HN 0.289 nan 8.210 nan 0.000 0.485 427 V N 6.931 126.490 119.914 -0.590 0.000 2.328 427 V HA 0.219 4.339 4.120 0.000 0.000 0.278 427 V C -0.038 175.753 176.094 -0.505 0.000 1.021 427 V CA -0.673 61.196 62.300 -0.718 0.000 0.838 427 V CB 1.060 32.123 31.823 -1.268 0.000 0.999 427 V HN 0.680 nan 8.190 nan 0.000 0.447 428 Q N 3.798 123.402 119.800 -0.327 0.000 2.349 428 Q HA 0.472 4.813 4.340 0.000 0.000 0.254 428 Q C -0.803 175.071 176.000 -0.210 0.000 0.980 428 Q CA -0.411 55.268 55.803 -0.208 0.000 0.924 428 Q CB 1.932 30.575 28.738 -0.158 0.000 1.209 428 Q HN 0.617 nan 8.270 nan 0.000 0.445 429 V N 2.643 122.451 119.914 -0.177 0.000 2.427 429 V HA 0.340 4.460 4.120 0.000 0.000 0.286 429 V C 0.153 176.026 176.094 -0.367 0.000 1.034 429 V CA -0.525 61.598 62.300 -0.296 0.000 0.893 429 V CB 1.598 33.222 31.823 -0.332 0.000 0.982 429 V HN 0.690 nan 8.190 nan 0.000 0.452 430 T N 5.367 119.686 114.554 -0.391 0.000 2.779 430 T HA 0.588 4.938 4.350 0.000 0.000 0.280 430 T C -0.584 173.890 174.700 -0.377 0.000 0.987 430 T CA -0.085 61.844 62.100 -0.283 0.000 0.966 430 T CB 0.582 69.365 68.868 -0.142 0.000 0.933 430 T HN 0.324 nan 8.240 nan 0.000 0.442 431 F N 2.304 122.246 119.950 -0.014 0.000 2.390 431 F HA 0.245 4.772 4.527 0.000 0.000 0.361 431 F C 1.086 176.869 175.800 -0.027 0.000 1.124 431 F CA -0.791 57.198 58.000 -0.018 0.000 1.149 431 F CB 0.725 39.716 39.000 -0.014 0.000 1.160 431 F HN 0.428 nan 8.300 nan 0.000 0.501 432 D N 3.617 124.076 120.400 0.098 0.000 2.631 432 D HA 0.154 4.794 4.640 0.000 0.000 0.227 432 D C 0.395 176.714 176.300 0.032 0.000 1.146 432 D CA 0.154 54.173 54.000 0.032 0.000 1.009 432 D CB 0.329 41.117 40.800 -0.020 0.000 1.057 432 D HN 0.575 nan 8.370 nan 0.000 0.509 433 c N 0.488 119.113 118.600 0.042 0.000 2.590 433 c HA 0.167 4.737 4.570 0.000 0.000 0.272 433 c C 0.768 174.845 174.090 -0.022 0.000 1.338 433 c CA -0.304 56.032 56.329 0.012 0.000 1.746 433 c CB 0.019 42.536 42.510 0.012 0.000 2.020 433 c HN 0.405 nan 8.230 nan 0.000 0.531 434 D N -0.320 120.067 120.400 -0.022 0.000 2.228 434 D HA 0.334 4.974 4.640 0.000 0.000 0.247 434 D C -0.706 175.565 176.300 -0.047 0.000 0.995 434 D CA 0.004 53.976 54.000 -0.046 0.000 0.903 434 D CB 1.565 42.343 40.800 -0.035 0.000 1.205 434 D HN 0.203 nan 8.370 nan 0.000 0.459 435 c N 0.965 119.521 118.600 -0.074 0.000 2.405 435 c HA 0.437 5.007 4.570 0.000 0.000 0.365 435 c C 1.980 176.049 174.090 -0.035 0.000 1.233 435 c CA -0.544 55.752 56.329 -0.056 0.000 2.230 435 c CB 0.640 43.087 42.510 -0.105 0.000 2.443 435 c HN 0.796 nan 8.230 nan 0.000 0.556 436 A N 1.163 123.978 122.820 -0.007 0.000 1.978 436 A HA -0.184 4.136 4.320 0.000 0.000 0.220 436 A C 1.987 179.570 177.584 -0.002 0.000 1.170 436 A CA 2.258 54.295 52.037 -0.000 0.000 0.636 436 A CB -0.908 18.101 19.000 0.014 0.000 0.810 436 A HN 1.129 nan 8.150 nan 0.000 0.448 437 c N -1.265 117.333 118.600 -0.002 0.000 2.449 437 c HA -0.014 4.556 4.570 0.000 0.000 0.283 437 c C 2.303 176.372 174.090 -0.035 0.000 1.453 437 c CA 0.609 56.934 56.329 -0.007 0.000 1.779 437 c CB -1.756 40.761 42.510 0.010 0.000 1.779 437 c HN 0.644 nan 8.230 nan 0.000 0.546 438 Q N 1.580 121.349 119.800 -0.051 0.000 2.224 438 Q HA -0.051 4.289 4.340 0.000 0.000 0.203 438 Q C 2.601 178.585 176.000 -0.028 0.000 0.970 438 Q CA 1.610 57.379 55.803 -0.056 0.000 0.865 438 Q CB -0.275 28.423 28.738 -0.067 0.000 0.922 438 Q HN 0.863 nan 8.270 nan 0.000 0.445 439 A N 0.746 123.557 122.820 -0.015 0.000 2.015 439 A HA -0.174 4.146 4.320 0.000 0.000 0.219 439 A C 1.572 179.161 177.584 0.009 0.000 1.163 439 A CA 1.113 53.149 52.037 -0.002 0.000 0.646 439 A CB -0.022 18.979 19.000 0.002 0.000 0.806 439 A HN 0.216 nan 8.150 nan 0.000 0.448 440 Q N -0.161 119.646 119.800 0.011 0.000 2.222 440 Q HA 0.512 4.852 4.340 0.000 0.000 0.206 440 Q C 0.418 176.439 176.000 0.034 0.000 0.877 440 Q CA 0.399 56.218 55.803 0.028 0.000 0.958 440 Q CB 0.127 28.887 28.738 0.036 0.000 1.075 440 Q HN 0.566 nan 8.270 nan 0.000 0.483 441 A N 1.175 124.003 122.820 0.013 0.000 2.531 441 A HA 0.064 4.384 4.320 0.000 0.000 0.236 441 A C -0.148 177.477 177.584 0.068 0.000 1.062 441 A CA 0.085 52.131 52.037 0.016 0.000 0.760 441 A CB 0.192 19.188 19.000 -0.007 0.000 0.995 441 A HN 0.289 nan 8.150 nan 0.000 0.501 442 E N 3.176 123.449 120.200 0.123 0.000 2.102 442 E HA 0.356 4.706 4.350 0.000 0.000 0.263 442 E C -2.522 174.164 176.600 0.143 0.000 0.894 442 E CA -2.256 54.234 56.400 0.150 0.000 0.746 442 E CB 1.260 31.093 29.700 0.222 0.000 1.129 442 E HN 0.522 nan 8.360 nan 0.000 0.416 443 P HA 0.073 nan 4.420 nan 0.000 0.274 443 P C -0.757 176.606 177.300 0.104 0.000 1.237 443 P CA -0.195 62.964 63.100 0.097 0.000 0.793 443 P CB 0.543 32.286 31.700 0.072 0.000 0.977 444 N N -1.878 116.888 118.700 0.109 0.000 2.725 444 N HA -0.155 4.585 4.740 0.000 0.000 0.251 444 N C -0.204 175.371 175.510 0.108 0.000 1.031 444 N CA 0.807 53.921 53.050 0.107 0.000 0.720 444 N CB -1.911 36.630 38.487 0.090 0.000 0.930 444 N HN 0.404 nan 8.380 nan 0.000 0.543 445 S N -0.712 115.056 115.700 0.113 0.000 2.523 445 S HA 0.125 4.595 4.470 0.000 0.000 0.275 445 S C 1.670 176.310 174.600 0.066 0.000 1.281 445 S CA -0.171 58.096 58.200 0.112 0.000 1.050 445 S CB 0.571 63.836 63.200 0.108 0.000 0.937 445 S HN 0.552 nan 8.310 nan 0.000 0.492 446 H N 3.647 122.705 119.070 -0.021 0.000 2.457 446 H HA -0.002 4.554 4.556 0.000 0.000 0.297 446 H C 1.967 177.254 175.328 -0.069 0.000 1.092 446 H CA 1.658 57.684 56.048 -0.037 0.000 1.309 446 H CB -0.004 29.734 29.762 -0.041 0.000 1.382 446 H HN 0.575 nan 8.280 nan 0.000 0.535 447 R N 0.061 120.103 120.500 -0.764 0.000 2.235 447 R HA 0.108 4.448 4.340 0.000 0.000 0.213 447 R C -0.275 175.848 176.300 -0.296 0.000 1.059 447 R CA 0.693 56.380 56.100 -0.688 0.000 0.997 447 R CB 0.192 29.959 30.300 -0.888 0.000 0.884 447 R HN 0.370 nan 8.270 nan 0.000 0.462 448 c N 1.885 120.392 118.600 -0.155 0.000 2.301 448 c HA 0.365 4.935 4.570 0.000 0.000 0.313 448 c C -0.530 173.531 174.090 -0.048 0.000 1.121 448 c CA -1.241 55.056 56.329 -0.053 0.000 1.507 448 c CB 0.157 42.684 42.510 0.027 0.000 1.975 448 c HN 0.593 nan 8.230 nan 0.000 0.425 449 N N 2.690 121.353 118.700 -0.062 0.000 2.735 449 N HA -0.210 4.530 4.740 0.000 0.000 0.248 449 N C 0.388 175.875 175.510 -0.038 0.000 1.083 449 N CA 1.369 54.382 53.050 -0.062 0.000 0.703 449 N CB -1.067 37.363 38.487 -0.096 0.000 1.005 449 N HN 0.963 nan 8.380 nan 0.000 0.550 450 N N -1.210 117.471 118.700 -0.030 0.000 2.741 450 N HA -0.219 4.521 4.740 0.000 0.000 0.250 450 N C 0.791 176.320 175.510 0.033 0.000 1.115 450 N CA 2.569 55.622 53.050 0.004 0.000 0.724 450 N CB -1.185 37.304 38.487 0.005 0.000 1.090 450 N HN 0.949 nan 8.380 nan 0.000 0.558 451 G N -2.721 106.100 108.800 0.035 0.000 2.227 451 G HA2 -0.232 3.728 3.960 0.000 0.000 0.168 451 G HA3 -0.232 3.728 3.960 0.000 0.000 0.168 451 G C 0.811 175.762 174.900 0.085 0.000 1.006 451 G CA 0.291 45.432 45.100 0.067 0.000 0.684 451 G HN 0.420 nan 8.290 nan 0.000 0.489 452 N N 0.718 119.455 118.700 0.062 0.000 2.220 452 N HA 0.261 5.001 4.740 0.000 0.000 0.182 452 N C 1.633 177.226 175.510 0.138 0.000 1.023 452 N CA 1.512 54.622 53.050 0.100 0.000 0.856 452 N CB -0.129 38.325 38.487 -0.055 0.000 0.997 452 N HN 0.659 nan 8.380 nan 0.000 0.429 453 G N -1.111 107.731 108.800 0.070 0.000 2.557 453 G HA2 0.479 4.439 3.960 0.000 0.000 0.302 453 G HA3 0.479 4.439 3.960 0.000 0.000 0.302 453 G C -0.797 174.175 174.900 0.119 0.000 1.311 453 G CA -0.332 44.823 45.100 0.092 0.000 1.030 453 G HN -0.004 nan 8.290 nan 0.000 0.509 454 T N 0.330 114.957 114.554 0.123 0.000 2.797 454 T HA 0.357 4.707 4.350 0.000 0.000 0.279 454 T C -1.219 173.587 174.700 0.176 0.000 0.991 454 T CA -0.116 62.064 62.100 0.133 0.000 0.979 454 T CB 1.209 70.133 68.868 0.093 0.000 0.943 454 T HN 0.285 nan 8.240 nan 0.000 0.444 455 F N 4.853 124.823 119.950 0.032 0.000 2.375 455 F HA 0.395 4.922 4.527 0.000 0.000 0.362 455 F C 0.392 176.217 175.800 0.041 0.000 1.129 455 F CA -1.232 56.787 58.000 0.032 0.000 1.154 455 F CB 0.202 39.218 39.000 0.026 0.000 1.205 455 F HN 0.596 nan 8.300 nan 0.000 0.513 456 E N 4.406 124.416 120.200 -0.317 0.000 2.275 456 E HA 0.398 4.748 4.350 0.000 0.000 0.270 456 E C -0.376 176.021 176.600 -0.337 0.000 0.882 456 E CA -0.912 55.312 56.400 -0.294 0.000 0.758 456 E CB 1.105 30.722 29.700 -0.139 0.000 1.195 456 E HN 0.664 nan 8.360 nan 0.000 0.419 457 c N 3.584 122.020 118.600 -0.273 0.000 4.268 457 c HA -0.104 4.466 4.570 0.000 0.000 0.299 457 c C 1.464 175.577 174.090 0.038 0.000 1.429 457 c CA 0.949 57.249 56.329 -0.049 0.000 2.018 457 c CB -2.345 40.147 42.510 -0.030 0.000 1.277 457 c HN 1.443 nan 8.230 nan 0.000 0.767 458 G N -1.852 106.715 108.800 -0.389 0.000 2.162 458 G HA2 0.042 4.002 3.960 0.000 0.000 0.260 458 G HA3 0.042 4.002 3.960 0.000 0.000 0.260 458 G C 0.022 174.909 174.900 -0.022 0.000 0.976 458 G CA 0.553 45.520 45.100 -0.221 0.000 0.655 458 G HN 2.275 nan 8.290 nan 0.000 0.533 459 V N -3.916 115.938 119.914 -0.100 0.000 3.130 459 V HA 0.814 4.934 4.120 0.000 0.000 0.310 459 V C 0.357 176.524 176.094 0.122 0.000 1.158 459 V CA -1.191 61.185 62.300 0.125 0.000 1.029 459 V CB 1.843 33.791 31.823 0.207 0.000 1.057 459 V HN 0.569 nan 8.190 nan 0.000 0.436 460 c N 3.136 121.850 118.600 0.190 0.000 2.285 460 c HA 0.735 5.305 4.570 0.000 0.000 0.335 460 c C 0.346 174.489 174.090 0.088 0.000 1.267 460 c CA -0.436 55.996 56.329 0.171 0.000 1.762 460 c CB -0.263 42.329 42.510 0.137 0.000 2.365 460 c HN 0.816 nan 8.230 nan 0.000 0.527 461 R N 1.765 122.307 120.500 0.070 0.000 2.604 461 R HA 0.382 4.722 4.340 0.000 0.000 0.287 461 R C -0.429 175.906 176.300 0.058 0.000 0.970 461 R CA -0.465 55.661 56.100 0.044 0.000 0.946 461 R CB 1.327 31.639 30.300 0.020 0.000 1.127 461 R HN 0.726 nan 8.270 nan 0.000 0.473 462 c N 1.768 120.401 118.600 0.056 0.000 2.637 462 c HA 0.349 4.919 4.570 0.000 0.000 0.418 462 c C 1.358 175.552 174.090 0.174 0.000 1.319 462 c CA 0.099 56.481 56.329 0.090 0.000 1.949 462 c CB -0.058 42.502 42.510 0.083 0.000 2.639 462 c HN 0.827 nan 8.230 nan 0.000 0.594 463 G N 5.240 114.224 108.800 0.307 0.000 2.580 463 G HA2 0.499 4.459 3.960 0.000 0.000 0.278 463 G HA3 0.499 4.459 3.960 0.000 0.000 0.278 463 G C -2.507 172.537 174.900 0.240 0.000 1.212 463 G CA -0.529 44.742 45.100 0.284 0.000 0.939 463 G HN 0.661 nan 8.290 nan 0.000 0.513 464 P HA 0.235 nan 4.420 nan 0.000 0.271 464 P C 0.694 177.903 177.300 -0.152 0.000 1.216 464 P CA 1.018 64.114 63.100 -0.006 0.000 0.771 464 P CB 1.187 32.874 31.700 -0.020 0.000 0.864 465 G N 1.197 109.893 108.800 -0.172 0.000 2.179 465 G HA2 -0.180 3.780 3.960 0.000 0.000 0.220 465 G HA3 -0.180 3.780 3.960 0.000 0.000 0.220 465 G C -0.435 174.217 174.900 -0.412 0.000 0.990 465 G CA -0.622 44.275 45.100 -0.340 0.000 0.646 465 G HN 0.454 nan 8.290 nan 0.000 0.517 466 W N -0.177 121.125 121.300 0.003 0.000 2.497 466 W HA 0.813 5.473 4.660 0.000 0.000 0.359 466 W C 0.455 176.975 176.519 0.002 0.000 1.131 466 W CA -1.202 56.145 57.345 0.004 0.000 1.280 466 W CB 1.145 30.608 29.460 0.006 0.000 1.319 466 W HN 0.047 nan 8.180 nan 0.000 0.626 467 L N 1.405 122.813 121.223 0.309 0.000 2.371 467 L HA 0.918 5.258 4.340 0.000 0.000 0.262 467 L C 0.301 177.243 176.870 0.120 0.000 1.006 467 L CA -0.806 54.130 54.840 0.160 0.000 0.818 467 L CB 2.058 44.185 42.059 0.113 0.000 1.354 467 L HN 0.710 nan 8.230 nan 0.000 0.415 468 G N 0.259 109.103 108.800 0.074 0.000 2.515 468 G HA2 -0.105 3.855 3.960 0.000 0.000 0.686 468 G HA3 -0.105 3.855 3.960 0.000 0.000 0.686 468 G C 0.204 175.124 174.900 0.033 0.000 1.274 468 G CA -0.108 45.019 45.100 0.043 0.000 0.874 468 G HN 0.783 nan 8.290 nan 0.000 0.631 469 S N -0.847 114.865 115.700 0.019 0.000 2.371 469 S HA 0.029 4.499 4.470 0.000 0.000 0.221 469 S C 1.678 176.283 174.600 0.008 0.000 1.036 469 S CA 1.646 59.855 58.200 0.015 0.000 0.965 469 S CB 0.009 63.218 63.200 0.013 0.000 0.845 469 S HN 0.720 nan 8.310 nan 0.000 0.475 470 Q N 0.022 119.820 119.800 -0.003 0.000 2.247 470 Q HA 0.341 4.681 4.340 0.000 0.000 0.211 470 Q C 0.007 175.981 176.000 -0.044 0.000 0.861 470 Q CA -0.006 55.787 55.803 -0.017 0.000 0.949 470 Q CB 0.209 28.938 28.738 -0.014 0.000 1.115 470 Q HN 0.616 nan 8.270 nan 0.000 0.507 471 c N 0.000 118.575 118.600 -0.041 0.000 2.653 471 c HA 0.000 4.570 4.570 0.000 0.000 0.325 471 c CA 0.000 56.279 56.329 -0.084 0.000 1.963 471 c CB 0.000 42.417 42.510 -0.155 0.000 2.134 471 c HN 0.000 nan 8.230 nan 0.000 0.568