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 2v8h_1_C DATA FIRST_RESID 27 DATA SEQUENCE PLSIASGRLN QTILETGSQF GGVARWGQES HEFGMRRLAG TALDGAMRDW DATA SEQUENCE FTNECESLGC KVKVDKIGNM FAVYPGKNGG KPTATGSHLD TQPEAGKYDG DATA SEQUENCE ILGVLAGLEV LRTFKDNNYV PNYDVCVVVW FNAEGARFAR SCTGSSVWSH DATA SEQUENCE DLSLEEAYGL MSVGEDKPES VYDSLKNIGY IGDTPASYKE NEIDAHFELH DATA SEQUENCE IEQGPILEDE NKAIGIVTGV QAYNWQKVTV HGVGAHAGTT PWRLRKDALL DATA SEQUENCE MSSKMIVAAS EIAQRHNGLF TCGIIDAKPY SVNIIPGEVS FTLDFRHPSD DATA SEQUENCE DVLATMLKEA AAEFDRLIKI NDGGALSYES ETLQVSPAVN FHEVCIECVS DATA SEQUENCE RSAFAQFKKD QVRQIWSGAG HDSCQTAPHV PTSMIFIPSK DGLSHNYYEY DATA SEQUENCE SSPEEIENGF KVLLQAIINY DNYRVIRGHQ FP 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 27 P HA 0.000 nan 4.420 nan 0.000 0.216 27 P C 0.000 177.291 177.300 -0.016 0.000 1.155 27 P CA 0.000 63.092 63.100 -0.013 0.000 0.800 27 P CB 0.000 31.695 31.700 -0.008 0.000 0.726 28 L N 1.230 122.427 121.223 -0.044 0.000 2.295 28 L HA 0.588 4.928 4.340 -0.000 0.000 0.285 28 L C 0.896 177.765 176.870 -0.002 0.000 1.035 28 L CA -0.614 54.209 54.840 -0.029 0.000 0.806 28 L CB 1.694 43.707 42.059 -0.076 0.000 1.214 28 L HN 0.585 nan 8.230 nan 0.000 0.426 29 S N 4.195 119.910 115.700 0.025 0.000 2.525 29 S HA 0.694 5.163 4.470 -0.000 0.000 0.278 29 S C -0.376 174.257 174.600 0.055 0.000 1.234 29 S CA -0.815 57.404 58.200 0.033 0.000 1.058 29 S CB 1.009 64.228 63.200 0.032 0.000 0.983 29 S HN 0.525 nan 8.310 nan 0.000 0.495 30 I N -0.059 120.552 120.570 0.068 0.000 2.607 30 I HA 0.811 4.981 4.170 -0.000 0.000 0.305 30 I C 0.040 176.190 176.117 0.056 0.000 0.995 30 I CA -1.543 59.819 61.300 0.104 0.000 1.148 30 I CB 1.659 39.794 38.000 0.225 0.000 1.323 30 I HN 0.703 nan 8.210 nan 0.000 0.461 31 A N 3.971 126.807 122.820 0.026 0.000 2.539 31 A HA 0.292 4.612 4.320 -0.000 0.000 0.306 31 A C 0.441 178.016 177.584 -0.014 0.000 1.392 31 A CA -0.143 51.894 52.037 -0.000 0.000 1.060 31 A CB -0.429 18.561 19.000 -0.017 0.000 1.134 31 A HN 0.757 nan 8.150 nan 0.000 0.542 32 S N 2.169 117.872 115.700 0.005 0.000 2.515 32 S HA 0.402 4.872 4.470 -0.000 0.000 0.285 32 S C 1.571 176.165 174.600 -0.010 0.000 1.265 32 S CA 1.185 59.388 58.200 0.005 0.000 1.079 32 S CB -0.162 63.047 63.200 0.015 0.000 0.877 32 S HN 2.198 nan 8.310 nan 0.000 0.493 33 G N 4.691 113.478 108.800 -0.022 0.000 2.217 33 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.246 33 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.246 33 G C 0.951 175.826 174.900 -0.040 0.000 0.990 33 G CA 0.603 45.689 45.100 -0.024 0.000 0.627 33 G HN 0.704 nan 8.290 nan 0.000 0.522 34 R N -0.043 120.419 120.500 -0.063 0.000 2.081 34 R HA 0.107 4.447 4.340 -0.000 0.000 0.235 34 R C 2.557 178.805 176.300 -0.088 0.000 1.131 34 R CA 1.956 58.017 56.100 -0.065 0.000 0.960 34 R CB -0.306 29.951 30.300 -0.071 0.000 0.856 34 R HN 0.555 nan 8.270 nan 0.000 0.436 35 L N 1.437 122.561 121.223 -0.166 0.000 2.017 35 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 35 L C 1.822 178.647 176.870 -0.074 0.000 1.073 35 L CA 2.210 56.946 54.840 -0.172 0.000 0.745 35 L CB -0.999 40.874 42.059 -0.309 0.000 0.894 35 L HN 0.232 nan 8.230 nan 0.000 0.432 36 N N -1.179 117.490 118.700 -0.052 0.000 2.069 36 N HA -0.237 4.503 4.740 -0.000 0.000 0.191 36 N C 1.888 177.401 175.510 0.005 0.000 1.031 36 N CA 1.529 54.578 53.050 -0.003 0.000 0.852 36 N CB -0.121 38.366 38.487 0.000 0.000 1.018 36 N HN 0.398 nan 8.380 nan 0.000 0.423 37 Q N -0.547 119.250 119.800 -0.004 0.000 2.119 37 Q HA -0.056 4.284 4.340 -0.000 0.000 0.201 37 Q C 1.863 177.859 176.000 -0.006 0.000 0.972 37 Q CA 1.483 57.288 55.803 0.003 0.000 0.847 37 Q CB -0.578 28.163 28.738 0.005 0.000 0.903 37 Q HN 0.503 nan 8.270 nan 0.000 0.433 38 T N 1.333 115.883 114.554 -0.006 0.000 2.821 38 T HA -0.036 4.313 4.350 -0.000 0.000 0.267 38 T C 2.017 176.681 174.700 -0.061 0.000 1.046 38 T CA 0.710 62.808 62.100 -0.003 0.000 1.139 38 T CB -0.109 68.799 68.868 0.066 0.000 0.871 38 T HN 0.192 nan 8.240 nan 0.000 0.454 39 I N 0.809 121.349 120.570 -0.050 0.000 2.179 39 I HA -0.139 4.031 4.170 -0.000 0.000 0.242 39 I C 2.257 178.309 176.117 -0.107 0.000 1.088 39 I CA 1.298 62.544 61.300 -0.090 0.000 1.357 39 I CB -0.374 37.581 38.000 -0.074 0.000 1.051 39 I HN 0.198 nan 8.210 nan 0.000 0.409 40 L N 0.017 121.208 121.223 -0.053 0.000 2.093 40 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 40 L C 2.483 179.388 176.870 0.059 0.000 1.085 40 L CA 1.376 56.232 54.840 0.026 0.000 0.755 40 L CB -0.607 41.493 42.059 0.069 0.000 0.904 40 L HN 0.269 nan 8.230 nan 0.000 0.435 41 E N -0.136 120.040 120.200 -0.040 0.000 2.047 41 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 41 E C 2.192 178.658 176.600 -0.223 0.000 0.987 41 E CA 1.888 58.219 56.400 -0.116 0.000 0.799 41 E CB -0.048 29.591 29.700 -0.101 0.000 0.752 41 E HN 0.577 nan 8.360 nan 0.000 0.449 42 T N -1.663 112.732 114.554 -0.266 0.000 2.857 42 T HA -0.046 4.303 4.350 -0.000 0.000 0.266 42 T C 2.063 176.679 174.700 -0.140 0.000 1.048 42 T CA 1.004 62.905 62.100 -0.332 0.000 1.139 42 T CB -0.563 68.022 68.868 -0.471 0.000 0.874 42 T HN 0.174 nan 8.240 nan 0.000 0.455 43 G N 1.066 109.828 108.800 -0.063 0.000 2.433 43 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 43 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 43 G C 1.904 176.851 174.900 0.079 0.000 1.186 43 G CA 1.163 46.301 45.100 0.063 0.000 0.779 43 G HN 0.574 nan 8.290 nan 0.000 0.543 44 S N -0.179 115.502 115.700 -0.031 0.000 2.370 44 S HA -0.214 4.256 4.470 -0.000 0.000 0.226 44 S C 2.380 176.725 174.600 -0.425 0.000 1.033 44 S CA 2.178 60.085 58.200 -0.487 0.000 1.011 44 S CB -0.312 62.554 63.200 -0.555 0.000 0.852 44 S HN 0.561 nan 8.310 nan 0.000 0.457 45 Q N -1.044 118.477 119.800 -0.465 0.000 2.096 45 Q HA 0.085 4.425 4.340 -0.000 0.000 0.197 45 Q C -0.389 175.154 176.000 -0.762 0.000 0.964 45 Q CA 0.941 56.309 55.803 -0.724 0.000 0.838 45 Q CB 0.099 28.192 28.738 -1.075 0.000 0.906 45 Q HN 0.647 nan 8.270 nan 0.000 0.444 46 F N -0.461 119.409 119.950 -0.133 0.000 2.371 46 F HA 0.471 4.998 4.527 -0.000 0.000 0.343 46 F C 0.561 176.328 175.800 -0.054 0.000 1.150 46 F CA -0.069 57.880 58.000 -0.085 0.000 1.220 46 F CB 1.582 40.531 39.000 -0.085 0.000 1.475 46 F HN 0.180 nan 8.300 nan 0.000 0.521 47 G N 0.452 109.292 108.800 0.066 0.000 2.205 47 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.180 47 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.180 47 G C 0.490 175.414 174.900 0.041 0.000 1.004 47 G CA -0.552 44.585 45.100 0.062 0.000 0.670 47 G HN 0.945 nan 8.290 nan 0.000 0.496 48 G N 0.188 108.979 108.800 -0.015 0.000 2.313 48 G HA2 0.631 4.591 3.960 -0.000 0.000 0.250 48 G HA3 0.631 4.591 3.960 -0.000 0.000 0.250 48 G C 0.312 175.163 174.900 -0.082 0.000 1.281 48 G CA 0.834 45.925 45.100 -0.015 0.000 0.917 48 G HN 1.642 nan 8.290 nan 0.000 0.501 49 V N -0.811 119.086 119.914 -0.028 0.000 3.181 49 V HA 0.849 4.969 4.120 -0.000 0.000 0.308 49 V C 0.723 176.684 176.094 -0.222 0.000 1.214 49 V CA -0.537 61.692 62.300 -0.118 0.000 1.053 49 V CB 1.071 32.852 31.823 -0.069 0.000 1.069 49 V HN 2.548 nan 8.190 nan 0.000 0.441 50 A N 0.333 123.021 122.820 -0.221 0.000 2.687 50 A HA -0.228 4.092 4.320 -0.000 0.000 0.299 50 A C 0.722 178.224 177.584 -0.137 0.000 1.497 50 A CA 1.314 53.206 52.037 -0.241 0.000 0.751 50 A CB -1.717 16.933 19.000 -0.583 0.000 1.048 50 A HN 1.586 nan 8.150 nan 0.000 0.464 51 R N -0.596 119.825 120.500 -0.131 0.000 2.502 51 R HA 0.159 4.499 4.340 -0.000 0.000 0.292 51 R C 0.923 177.185 176.300 -0.064 0.000 0.998 51 R CA 1.011 57.002 56.100 -0.182 0.000 1.056 51 R CB -0.019 30.154 30.300 -0.211 0.000 0.939 51 R HN 1.086 nan 8.270 nan 0.000 0.411 52 W N 3.554 124.788 121.300 -0.109 0.000 2.998 52 W HA 0.487 5.147 4.660 -0.000 0.000 0.336 52 W C -0.086 176.410 176.519 -0.039 0.000 1.112 52 W CA 0.126 57.436 57.345 -0.059 0.000 1.682 52 W CB 0.397 29.837 29.460 -0.033 0.000 1.065 52 W HN 0.624 nan 8.180 nan 0.000 0.570 53 G N 0.360 108.982 108.800 -0.297 0.000 2.608 53 G HA2 0.202 4.162 3.960 -0.000 0.000 0.291 53 G HA3 0.202 4.162 3.960 -0.000 0.000 0.291 53 G C -0.211 174.537 174.900 -0.252 0.000 1.425 53 G CA -0.561 44.421 45.100 -0.198 0.000 0.787 53 G HN -0.112 nan 8.290 nan 0.000 0.484 54 Q N -0.276 119.429 119.800 -0.158 0.000 2.403 54 Q HA 0.095 4.435 4.340 -0.000 0.000 0.203 54 Q C 0.298 176.213 176.000 -0.142 0.000 0.932 54 Q CA 0.419 56.140 55.803 -0.136 0.000 0.945 54 Q CB 0.479 29.169 28.738 -0.080 0.000 1.045 54 Q HN 0.524 nan 8.270 nan 0.000 0.511 55 E N 0.555 120.639 120.200 -0.193 0.000 2.374 55 E HA 0.031 4.381 4.350 -0.000 0.000 0.260 55 E C 1.091 177.592 176.600 -0.167 0.000 1.101 55 E CA 0.061 56.370 56.400 -0.151 0.000 0.907 55 E CB 0.912 30.532 29.700 -0.133 0.000 1.014 55 E HN 0.073 nan 8.360 nan 0.000 0.427 56 S N 0.922 116.619 115.700 -0.004 0.000 2.469 56 S HA -0.173 4.297 4.470 -0.000 0.000 0.238 56 S C 1.263 175.950 174.600 0.145 0.000 0.998 56 S CA 1.300 59.540 58.200 0.066 0.000 0.957 56 S CB -0.404 62.851 63.200 0.091 0.000 0.764 56 S HN 0.662 nan 8.310 nan 0.000 0.514 57 H N -0.222 118.832 119.070 -0.026 0.000 2.705 57 H HA 0.376 4.932 4.556 -0.000 0.000 0.269 57 H C -0.033 175.021 175.328 -0.457 0.000 0.998 57 H CA -0.188 55.766 56.048 -0.157 0.000 1.193 57 H CB -0.348 29.445 29.762 0.052 0.000 1.485 57 H HN 0.485 nan 8.280 nan 0.000 0.521 58 E N 1.577 121.206 120.200 -0.952 0.000 2.392 58 E HA 0.228 4.578 4.350 -0.000 0.000 0.307 58 E C -1.004 174.486 176.600 -1.850 0.000 1.505 58 E CA -0.314 55.088 56.400 -1.664 0.000 1.716 58 E CB -0.302 28.552 29.700 -1.411 0.000 1.450 58 E HN 0.438 nan 8.360 nan 0.000 0.484 59 F N -2.662 116.410 119.950 -1.464 0.000 2.686 59 F HA 0.750 5.277 4.527 -0.000 0.000 0.311 59 F C 0.052 175.651 175.800 -0.335 0.000 1.128 59 F CA -1.294 56.197 58.000 -0.849 0.000 0.946 59 F CB 0.684 39.373 39.000 -0.519 0.000 1.336 59 F HN -0.100 nan 8.300 nan 0.000 0.457 60 G N 0.989 109.746 108.800 -0.071 0.000 2.887 60 G HA2 0.719 4.679 3.960 -0.000 0.000 0.277 60 G HA3 0.719 4.679 3.960 -0.000 0.000 0.277 60 G C -1.393 173.562 174.900 0.092 0.000 1.346 60 G CA -1.115 43.982 45.100 -0.005 0.000 1.058 60 G HN 0.557 nan 8.290 nan 0.000 0.535 61 M N -0.119 119.609 119.600 0.213 0.000 2.530 61 M HA 0.540 5.020 4.480 -0.000 0.000 0.307 61 M C -0.680 175.746 176.300 0.210 0.000 1.161 61 M CA -0.719 54.684 55.300 0.172 0.000 0.903 61 M CB 2.299 34.962 32.600 0.106 0.000 1.711 61 M HN 0.643 nan 8.290 nan 0.000 0.451 62 R N 1.772 122.355 120.500 0.138 0.000 2.713 62 R HA 0.407 4.747 4.340 -0.000 0.000 0.282 62 R C -1.306 175.039 176.300 0.076 0.000 1.472 62 R CA -0.247 55.919 56.100 0.109 0.000 1.060 62 R CB 1.198 31.567 30.300 0.117 0.000 1.237 62 R HN 0.827 nan 8.270 nan 0.000 0.484 63 R N 6.499 127.039 120.500 0.066 0.000 2.607 63 R HA 0.276 4.616 4.340 -0.000 0.000 0.278 63 R C -1.161 175.168 176.300 0.048 0.000 1.637 63 R CA -0.426 55.711 56.100 0.061 0.000 1.325 63 R CB 0.586 30.926 30.300 0.067 0.000 1.211 63 R HN 0.473 nan 8.270 nan 0.000 0.565 64 L N 2.511 123.757 121.223 0.038 0.000 2.417 64 L HA 0.415 4.755 4.340 -0.000 0.000 0.268 64 L C 0.836 177.743 176.870 0.061 0.000 1.158 64 L CA -0.535 54.319 54.840 0.023 0.000 0.819 64 L CB 1.223 43.275 42.059 -0.013 0.000 1.112 64 L HN 0.558 nan 8.230 nan 0.000 0.458 65 A N 1.981 124.838 122.820 0.063 0.000 2.546 65 A HA 0.376 4.696 4.320 -0.000 0.000 0.243 65 A C 1.259 179.056 177.584 0.355 0.000 1.063 65 A CA 0.575 52.687 52.037 0.125 0.000 0.757 65 A CB -0.413 18.546 19.000 -0.069 0.000 0.991 65 A HN 1.152 nan 8.150 nan 0.000 0.503 66 G N 1.881 110.935 108.800 0.422 0.000 2.184 66 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.264 66 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.264 66 G C 0.596 175.648 174.900 0.253 0.000 0.975 66 G CA 1.368 46.724 45.100 0.427 0.000 0.642 66 G HN 2.090 nan 8.290 nan 0.000 0.536 67 T N -2.795 111.865 114.554 0.178 0.000 2.824 67 T HA 0.749 5.099 4.350 -0.000 0.000 0.277 67 T C 1.815 176.572 174.700 0.095 0.000 0.975 67 T CA 0.482 62.653 62.100 0.118 0.000 0.966 67 T CB 1.545 70.463 68.868 0.083 0.000 1.054 67 T HN 1.357 nan 8.240 nan 0.000 0.533 68 A N 0.373 123.242 122.820 0.082 0.000 1.917 68 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 68 A C 2.370 179.996 177.584 0.070 0.000 1.182 68 A CA 1.496 53.580 52.037 0.077 0.000 0.633 68 A CB -1.195 17.849 19.000 0.072 0.000 0.819 68 A HN 0.827 nan 8.150 nan 0.000 0.448 69 L N -0.857 120.410 121.223 0.073 0.000 2.141 69 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 69 L C 2.387 179.268 176.870 0.018 0.000 1.094 69 L CA 1.414 56.302 54.840 0.080 0.000 0.763 69 L CB -0.482 41.638 42.059 0.102 0.000 0.908 69 L HN 0.407 nan 8.230 nan 0.000 0.437 70 D N 0.256 120.668 120.400 0.018 0.000 2.084 70 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 70 D C 2.110 178.345 176.300 -0.108 0.000 0.990 70 D CA 1.579 55.564 54.000 -0.024 0.000 0.826 70 D CB -0.149 40.672 40.800 0.035 0.000 0.971 70 D HN 0.199 nan 8.370 nan 0.000 0.453 71 G N 0.200 108.966 108.800 -0.058 0.000 2.440 71 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 71 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 71 G C 1.737 176.618 174.900 -0.031 0.000 1.154 71 G CA 1.488 46.568 45.100 -0.034 0.000 0.767 71 G HN 0.460 nan 8.290 nan 0.000 0.552 72 A N 0.180 122.949 122.820 -0.084 0.000 1.902 72 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 72 A C 2.315 179.492 177.584 -0.677 0.000 1.181 72 A CA 2.299 54.203 52.037 -0.222 0.000 0.623 72 A CB -0.363 18.596 19.000 -0.068 0.000 0.818 72 A HN 0.400 nan 8.150 nan 0.000 0.443 73 M N -0.025 119.139 119.600 -0.726 0.000 2.132 73 M HA -0.063 4.417 4.480 -0.000 0.000 0.263 73 M C 1.996 178.207 176.300 -0.148 0.000 1.065 73 M CA 1.560 56.463 55.300 -0.661 0.000 1.122 73 M CB -0.587 31.820 32.600 -0.322 0.000 1.365 73 M HN 0.384 nan 8.290 nan 0.000 0.411 74 R N 0.087 120.505 120.500 -0.136 0.000 2.105 74 R HA -0.156 4.184 4.340 -0.000 0.000 0.239 74 R C 1.740 178.165 176.300 0.208 0.000 1.135 74 R CA 1.620 57.699 56.100 -0.034 0.000 0.967 74 R CB -0.663 29.360 30.300 -0.462 0.000 0.861 74 R HN 0.450 nan 8.270 nan 0.000 0.442 75 D N -0.456 120.045 120.400 0.169 0.000 2.117 75 D HA -0.196 4.444 4.640 -0.000 0.000 0.198 75 D C 1.457 177.857 176.300 0.166 0.000 0.982 75 D CA 0.862 54.978 54.000 0.194 0.000 0.828 75 D CB -0.355 40.533 40.800 0.146 0.000 0.967 75 D HN 0.301 nan 8.370 nan 0.000 0.464 76 W N 0.893 122.168 121.300 -0.042 0.000 2.335 76 W HA -0.246 4.414 4.660 -0.000 0.000 0.311 76 W C 2.144 178.715 176.519 0.087 0.000 1.213 76 W CA 1.259 58.621 57.345 0.029 0.000 1.274 76 W CB -0.663 28.808 29.460 0.018 0.000 1.148 76 W HN -0.061 nan 8.180 nan 0.000 0.498 77 F N 1.313 121.375 119.950 0.188 0.000 2.095 77 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 77 F C 2.386 178.119 175.800 -0.112 0.000 1.104 77 F CA 2.719 60.734 58.000 0.025 0.000 1.232 77 F CB -0.966 38.122 39.000 0.147 0.000 0.987 77 F HN -0.253 nan 8.300 nan 0.000 0.475 78 T N 0.710 115.286 114.554 0.037 0.000 2.720 78 T HA -0.222 4.127 4.350 -0.000 0.000 0.268 78 T C 1.844 176.428 174.700 -0.194 0.000 1.037 78 T CA 1.689 63.758 62.100 -0.053 0.000 1.144 78 T CB -0.430 68.507 68.868 0.115 0.000 0.864 78 T HN 0.345 nan 8.240 nan 0.000 0.444 79 N N 0.452 119.029 118.700 -0.204 0.000 2.244 79 N HA -0.068 4.671 4.740 -0.000 0.000 0.183 79 N C 1.951 177.256 175.510 -0.343 0.000 1.016 79 N CA 0.751 53.663 53.050 -0.229 0.000 0.866 79 N CB -0.034 38.344 38.487 -0.182 0.000 0.980 79 N HN 0.409 nan 8.380 nan 0.000 0.430 80 E N 0.749 120.610 120.200 -0.564 0.000 2.051 80 E HA -0.101 4.248 4.350 -0.000 0.000 0.192 80 E C 2.230 178.581 176.600 -0.414 0.000 0.991 80 E CA 0.605 56.649 56.400 -0.594 0.000 0.799 80 E CB -0.455 28.686 29.700 -0.932 0.000 0.748 80 E HN 0.346 nan 8.360 nan 0.000 0.449 81 C N 0.877 119.881 119.300 -0.494 0.000 2.429 81 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 81 C C 2.582 177.469 174.990 -0.172 0.000 1.262 81 C CA 0.507 59.313 59.018 -0.352 0.000 1.733 81 C CB -0.794 26.653 27.740 -0.489 0.000 2.010 81 C HN 0.492 nan 8.230 nan 0.000 0.483 82 E N 1.138 121.236 120.200 -0.170 0.000 2.153 82 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 82 E C 2.253 178.806 176.600 -0.078 0.000 0.988 82 E CA 1.557 57.899 56.400 -0.097 0.000 0.811 82 E CB -0.101 29.548 29.700 -0.085 0.000 0.746 82 E HN 0.793 nan 8.360 nan 0.000 0.466 83 S N 0.393 116.030 115.700 -0.105 0.000 2.447 83 S HA -0.072 4.398 4.470 -0.000 0.000 0.233 83 S C 1.816 176.396 174.600 -0.035 0.000 1.006 83 S CA 0.618 58.773 58.200 -0.075 0.000 0.957 83 S CB -0.191 62.948 63.200 -0.102 0.000 0.773 83 S HN 0.201 nan 8.310 nan 0.000 0.507 84 L N 0.605 121.817 121.223 -0.018 0.000 2.558 84 L HA 0.338 4.677 4.340 -0.000 0.000 0.225 84 L C 1.794 178.719 176.870 0.092 0.000 1.128 84 L CA 0.411 55.299 54.840 0.080 0.000 0.868 84 L CB -0.485 41.654 42.059 0.133 0.000 1.006 84 L HN 0.614 nan 8.230 nan 0.000 0.454 85 G N -0.705 108.102 108.800 0.011 0.000 2.134 85 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.209 85 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.209 85 G C 0.158 175.027 174.900 -0.052 0.000 0.993 85 G CA -0.279 44.795 45.100 -0.043 0.000 0.669 85 G HN 0.264 nan 8.290 nan 0.000 0.519 86 C N 0.311 119.614 119.300 0.006 0.000 2.604 86 C HA 0.616 5.076 4.460 -0.000 0.000 0.396 86 C C 0.960 175.956 174.990 0.009 0.000 1.282 86 C CA -0.281 58.756 59.018 0.032 0.000 2.292 86 C CB 1.118 28.893 27.740 0.060 0.000 2.633 86 C HN 0.575 nan 8.230 nan 0.000 0.620 87 K N 1.385 121.804 120.400 0.032 0.000 2.234 87 K HA 0.506 4.826 4.320 -0.000 0.000 0.277 87 K C -1.166 175.477 176.600 0.072 0.000 1.038 87 K CA -0.207 56.103 56.287 0.039 0.000 0.888 87 K CB 0.618 33.141 32.500 0.038 0.000 1.091 87 K HN 0.532 nan 8.250 nan 0.000 0.467 88 V N 6.037 125.991 119.914 0.067 0.000 2.318 88 V HA 0.228 4.348 4.120 -0.000 0.000 0.271 88 V C -0.265 175.909 176.094 0.134 0.000 1.030 88 V CA -0.718 61.649 62.300 0.110 0.000 0.844 88 V CB 0.864 32.741 31.823 0.090 0.000 1.015 88 V HN 0.726 nan 8.190 nan 0.000 0.460 89 K N 3.693 124.206 120.400 0.189 0.000 2.143 89 K HA 0.694 5.013 4.320 -0.000 0.000 0.272 89 K C -0.941 175.821 176.600 0.269 0.000 1.001 89 K CA -0.591 55.815 56.287 0.198 0.000 0.915 89 K CB 2.238 34.849 32.500 0.185 0.000 1.047 89 K HN 0.404 nan 8.250 nan 0.000 0.458 90 V N 3.213 123.257 119.914 0.215 0.000 2.487 90 V HA 0.085 4.205 4.120 -0.000 0.000 0.298 90 V C -0.260 175.970 176.094 0.226 0.000 1.028 90 V CA -0.966 61.478 62.300 0.239 0.000 0.860 90 V CB 1.628 33.562 31.823 0.184 0.000 0.991 90 V HN 0.880 nan 8.190 nan 0.000 0.427 91 D N 3.634 124.206 120.400 0.287 0.000 2.466 91 D HA 0.265 4.905 4.640 -0.000 0.000 0.262 91 D C 0.714 177.136 176.300 0.203 0.000 1.177 91 D CA -0.748 53.402 54.000 0.250 0.000 1.035 91 D CB 0.953 41.955 40.800 0.336 0.000 1.105 91 D HN 0.323 nan 8.370 nan 0.000 0.551 92 K N -0.947 119.565 120.400 0.187 0.000 2.362 92 K HA 0.006 4.326 4.320 -0.000 0.000 0.200 92 K C 1.044 177.777 176.600 0.222 0.000 1.046 92 K CA 0.500 56.907 56.287 0.200 0.000 0.952 92 K CB -0.155 32.458 32.500 0.187 0.000 0.753 92 K HN 0.298 nan 8.250 nan 0.000 0.466 93 I N -0.306 120.361 120.570 0.161 0.000 3.941 93 I HA 0.158 4.328 4.170 -0.000 0.000 0.335 93 I C 0.625 176.725 176.117 -0.029 0.000 1.402 93 I CA 0.295 61.644 61.300 0.083 0.000 1.112 93 I CB 0.436 38.500 38.000 0.106 0.000 1.043 93 I HN 0.289 nan 8.210 nan 0.000 0.395 94 G N 0.797 109.639 108.800 0.069 0.000 2.159 94 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.256 94 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.256 94 G C 0.074 175.070 174.900 0.159 0.000 0.977 94 G CA 0.066 45.213 45.100 0.079 0.000 0.652 94 G HN 0.415 nan 8.290 nan 0.000 0.531 95 N N 0.463 119.280 118.700 0.194 0.000 2.492 95 N HA 0.483 5.223 4.740 -0.000 0.000 0.260 95 N C 0.529 175.982 175.510 -0.095 0.000 1.215 95 N CA 0.569 53.625 53.050 0.011 0.000 0.923 95 N CB 0.526 39.029 38.487 0.027 0.000 1.092 95 N HN 0.411 nan 8.380 nan 0.000 0.448 96 M N 1.722 121.092 119.600 -0.384 0.000 2.364 96 M HA 0.437 4.917 4.480 -0.000 0.000 0.334 96 M C -1.057 174.925 176.300 -0.531 0.000 1.107 96 M CA -0.517 54.665 55.300 -0.196 0.000 0.988 96 M CB 1.306 33.901 32.600 -0.009 0.000 1.673 96 M HN 0.273 nan 8.290 nan 0.000 0.441 97 F N 1.666 121.626 119.950 0.017 0.000 2.513 97 F HA 0.573 5.100 4.527 -0.000 0.000 0.358 97 F C 0.007 175.864 175.800 0.094 0.000 1.118 97 F CA -0.875 57.130 58.000 0.008 0.000 1.037 97 F CB 1.352 40.342 39.000 -0.016 0.000 1.276 97 F HN 0.613 nan 8.300 nan 0.000 0.446 98 A N 3.587 126.556 122.820 0.249 0.000 2.366 98 A HA 0.658 4.978 4.320 -0.000 0.000 0.322 98 A C -0.591 177.113 177.584 0.201 0.000 1.397 98 A CA -0.508 51.642 52.037 0.189 0.000 0.984 98 A CB 0.014 19.077 19.000 0.105 0.000 1.149 98 A HN 0.481 nan 8.150 nan 0.000 0.540 99 V N 3.668 123.696 119.914 0.190 0.000 2.364 99 V HA 0.158 4.278 4.120 -0.000 0.000 0.272 99 V C -0.510 175.708 176.094 0.207 0.000 1.036 99 V CA -0.342 62.081 62.300 0.205 0.000 0.880 99 V CB 0.516 32.439 31.823 0.167 0.000 0.991 99 V HN 0.747 nan 8.190 nan 0.000 0.460 100 Y N 8.620 128.994 120.300 0.124 0.000 2.341 100 Y HA 0.480 5.030 4.550 -0.000 0.000 0.340 100 Y C -2.044 173.926 175.900 0.116 0.000 0.997 100 Y CA -2.652 55.521 58.100 0.122 0.000 1.149 100 Y CB 1.730 40.295 38.460 0.176 0.000 1.171 100 Y HN 0.463 nan 8.280 nan 0.000 0.494 101 P HA 0.173 nan 4.420 nan 0.000 0.271 101 P C -0.221 177.042 177.300 -0.061 0.000 1.220 101 P CA 0.130 63.165 63.100 -0.108 0.000 0.768 101 P CB 1.263 32.854 31.700 -0.182 0.000 0.848 102 G N 2.357 111.161 108.800 0.007 0.000 2.601 102 G HA2 0.262 4.222 3.960 -0.000 0.000 0.317 102 G HA3 0.262 4.222 3.960 -0.000 0.000 0.317 102 G C 0.704 175.533 174.900 -0.118 0.000 1.246 102 G CA -0.710 44.369 45.100 -0.035 0.000 1.012 102 G HN 0.284 nan 8.290 nan 0.000 0.494 103 K N -0.287 119.998 120.400 -0.191 0.000 2.103 103 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 103 K C 1.187 177.655 176.600 -0.219 0.000 1.048 103 K CA 1.358 57.519 56.287 -0.210 0.000 0.930 103 K CB 0.080 32.432 32.500 -0.246 0.000 0.716 103 K HN 0.313 nan 8.250 nan 0.000 0.444 104 N N -0.539 117.965 118.700 -0.326 0.000 2.184 104 N HA 0.077 4.817 4.740 -0.000 0.000 0.206 104 N C 0.799 176.258 175.510 -0.085 0.000 1.151 104 N CA 0.763 53.637 53.050 -0.294 0.000 0.878 104 N CB 1.492 39.611 38.487 -0.613 0.000 1.014 104 N HN 0.301 nan 8.380 nan 0.000 0.512 105 G N 1.250 110.037 108.800 -0.022 0.000 2.543 105 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.286 105 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.286 105 G C 0.359 175.385 174.900 0.210 0.000 1.153 105 G CA 0.287 45.436 45.100 0.081 0.000 0.968 105 G HN 0.863 nan 8.290 nan 0.000 0.544 106 G N -0.894 108.016 108.800 0.183 0.000 2.855 106 G HA2 0.066 4.026 3.960 -0.000 0.000 0.352 106 G HA3 0.066 4.026 3.960 -0.000 0.000 0.352 106 G C -0.028 174.969 174.900 0.162 0.000 1.415 106 G CA 0.686 45.899 45.100 0.190 0.000 0.871 106 G HN 1.373 nan 8.290 nan 0.000 0.543 107 K N 1.944 122.423 120.400 0.131 0.000 2.447 107 K HA 0.228 4.548 4.320 -0.000 0.000 0.281 107 K C -1.794 174.919 176.600 0.188 0.000 1.031 107 K CA -0.434 55.939 56.287 0.143 0.000 1.019 107 K CB 0.600 33.180 32.500 0.133 0.000 0.918 107 K HN 0.381 nan 8.250 nan 0.000 0.476 108 P HA -0.009 nan 4.420 nan 0.000 0.271 108 P C -0.643 176.827 177.300 0.285 0.000 1.218 108 P CA -0.262 62.990 63.100 0.252 0.000 0.780 108 P CB 0.593 32.440 31.700 0.244 0.000 0.901 109 T N 2.112 116.865 114.554 0.332 0.000 2.769 109 T HA 0.362 4.712 4.350 -0.000 0.000 0.293 109 T C 0.492 175.381 174.700 0.316 0.000 0.931 109 T CA 0.209 62.529 62.100 0.366 0.000 1.139 109 T CB -0.056 69.096 68.868 0.473 0.000 0.881 109 T HN 0.452 nan 8.240 nan 0.000 0.532 110 A N 3.501 126.494 122.820 0.289 0.000 2.306 110 A HA 0.723 5.043 4.320 -0.000 0.000 0.314 110 A C 0.383 178.089 177.584 0.203 0.000 1.164 110 A CA -0.626 51.580 52.037 0.283 0.000 0.822 110 A CB 1.158 20.384 19.000 0.376 0.000 1.130 110 A HN 0.678 nan 8.150 nan 0.000 0.496 111 T N 0.310 114.948 114.554 0.140 0.000 2.886 111 T HA 0.730 5.080 4.350 -0.000 0.000 0.292 111 T C -0.233 174.492 174.700 0.042 0.000 1.012 111 T CA 0.272 62.379 62.100 0.012 0.000 0.982 111 T CB 1.306 70.201 68.868 0.046 0.000 1.018 111 T HN 1.802 nan 8.240 nan 0.000 0.451 112 G N 1.493 110.307 108.800 0.024 0.000 2.601 112 G HA2 0.618 4.578 3.960 -0.000 0.000 0.291 112 G HA3 0.618 4.578 3.960 -0.000 0.000 0.291 112 G C -1.026 174.063 174.900 0.315 0.000 1.456 112 G CA 0.061 45.277 45.100 0.194 0.000 0.804 112 G HN 0.883 nan 8.290 nan 0.000 0.499 113 S N -1.506 114.365 115.700 0.284 0.000 4.006 113 S HA 0.703 5.173 4.470 -0.000 0.000 0.292 113 S C -1.413 173.395 174.600 0.347 0.000 1.069 113 S CA 0.160 58.577 58.200 0.362 0.000 1.237 113 S CB 0.306 63.606 63.200 0.167 0.000 1.706 113 S HN 1.513 nan 8.310 nan 0.000 0.569 114 H N -0.419 118.750 119.070 0.164 0.000 2.928 114 H HA 0.694 5.250 4.556 -0.000 0.000 0.371 114 H C -0.210 175.122 175.328 0.006 0.000 1.186 114 H CA -0.889 55.212 56.048 0.088 0.000 1.134 114 H CB 0.743 30.587 29.762 0.136 0.000 1.824 114 H HN 0.353 nan 8.280 nan 0.000 0.554 115 L N 0.116 121.366 121.223 0.045 0.000 2.609 115 L HA 0.100 4.440 4.340 -0.000 0.000 0.230 115 L C 0.293 177.203 176.870 0.067 0.000 1.087 115 L CA -0.077 54.747 54.840 -0.027 0.000 0.874 115 L CB 0.072 42.065 42.059 -0.111 0.000 1.114 115 L HN 0.757 nan 8.230 nan 0.000 0.488 116 D N 0.629 121.126 120.400 0.162 0.000 2.339 116 D HA 0.149 4.789 4.640 -0.000 0.000 0.245 116 D C 0.102 176.520 176.300 0.196 0.000 1.115 116 D CA 0.059 54.135 54.000 0.126 0.000 0.917 116 D CB 1.720 42.543 40.800 0.037 0.000 1.192 116 D HN -0.031 nan 8.370 nan 0.000 0.428 117 T N -1.783 112.831 114.554 0.100 0.000 2.858 117 T HA 0.296 4.646 4.350 -0.000 0.000 0.285 117 T C 0.185 174.885 174.700 0.000 0.000 1.052 117 T CA -0.944 61.209 62.100 0.088 0.000 1.009 117 T CB 1.801 70.715 68.868 0.077 0.000 1.241 117 T HN 0.356 nan 8.240 nan 0.000 0.542 118 Q N 0.853 120.616 119.800 -0.062 0.000 2.471 118 Q HA 0.250 4.590 4.340 -0.000 0.000 0.223 118 Q C -1.519 174.435 176.000 -0.077 0.000 1.045 118 Q CA -1.915 53.799 55.803 -0.148 0.000 0.956 118 Q CB 0.556 29.098 28.738 -0.327 0.000 1.249 118 Q HN 0.530 nan 8.270 nan 0.000 0.549 119 P HA -0.069 nan 4.420 nan 0.000 0.222 119 P C -0.527 176.755 177.300 -0.030 0.000 1.153 119 P CA 1.189 64.258 63.100 -0.052 0.000 0.798 119 P CB 0.538 32.193 31.700 -0.076 0.000 0.796 120 E N -0.123 120.009 120.200 -0.113 0.000 2.220 120 E HA 0.627 4.977 4.350 -0.000 0.000 0.256 120 E C -0.965 175.518 176.600 -0.194 0.000 0.881 120 E CA -0.674 55.588 56.400 -0.230 0.000 0.766 120 E CB 2.026 31.401 29.700 -0.542 0.000 1.187 120 E HN 0.013 nan 8.360 nan 0.000 0.419 121 A N 2.199 125.046 122.820 0.045 0.000 2.498 121 A HA 0.829 5.149 4.320 -0.000 0.000 0.298 121 A C -0.014 177.694 177.584 0.206 0.000 1.075 121 A CA -0.515 51.582 52.037 0.100 0.000 0.714 121 A CB 1.650 20.698 19.000 0.081 0.000 1.299 121 A HN 0.571 nan 8.150 nan 0.000 0.407 122 G N -0.426 108.478 108.800 0.174 0.000 2.580 122 G HA2 0.464 4.424 3.960 -0.000 0.000 0.278 122 G HA3 0.464 4.424 3.960 -0.000 0.000 0.278 122 G C 0.221 175.133 174.900 0.021 0.000 1.212 122 G CA -0.527 44.671 45.100 0.163 0.000 0.939 122 G HN 0.733 nan 8.290 nan 0.000 0.513 123 K N -0.702 119.580 120.400 -0.197 0.000 2.426 123 K HA 0.118 4.438 4.320 -0.000 0.000 0.193 123 K C 0.720 176.977 176.600 -0.571 0.000 1.028 123 K CA 0.653 56.638 56.287 -0.503 0.000 1.047 123 K CB 0.247 32.224 32.500 -0.873 0.000 0.821 123 K HN 0.622 nan 8.250 nan 0.000 0.513 124 Y N -0.012 120.257 120.300 -0.052 0.000 2.589 124 Y HA 0.081 4.630 4.550 -0.000 0.000 0.271 124 Y C 0.627 176.423 175.900 -0.172 0.000 1.107 124 Y CA -0.955 57.079 58.100 -0.111 0.000 1.273 124 Y CB 0.220 38.608 38.460 -0.119 0.000 1.266 124 Y HN -0.063 nan 8.280 nan 0.000 0.504 125 D N 1.016 121.445 120.400 0.048 0.000 2.520 125 D HA 0.142 4.781 4.640 -0.000 0.000 0.243 125 D C 1.360 177.556 176.300 -0.172 0.000 1.160 125 D CA 1.939 55.937 54.000 -0.003 0.000 0.877 125 D CB 0.710 41.672 40.800 0.271 0.000 1.150 125 D HN 0.578 nan 8.370 nan 0.000 0.494 126 G N 4.263 112.775 108.800 -0.479 0.000 2.855 126 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.231 126 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.231 126 G C 1.570 176.183 174.900 -0.477 0.000 1.242 126 G CA 0.501 45.067 45.100 -0.890 0.000 0.789 126 G HN 0.582 nan 8.290 nan 0.000 0.517 127 I N 0.880 121.258 120.570 -0.320 0.000 2.264 127 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 127 I C 2.678 178.728 176.117 -0.112 0.000 1.111 127 I CA 1.646 62.840 61.300 -0.177 0.000 1.382 127 I CB -0.367 37.549 38.000 -0.140 0.000 1.060 127 I HN 0.382 nan 8.210 nan 0.000 0.418 128 L N 1.331 122.492 121.223 -0.104 0.000 2.013 128 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 128 L C 2.359 179.213 176.870 -0.028 0.000 1.073 128 L CA 2.454 57.268 54.840 -0.042 0.000 0.753 128 L CB -1.312 40.724 42.059 -0.038 0.000 0.890 128 L HN 0.211 nan 8.230 nan 0.000 0.432 129 G N -1.338 107.431 108.800 -0.053 0.000 2.418 129 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 129 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 129 G C 1.496 176.410 174.900 0.023 0.000 1.158 129 G CA 1.039 46.144 45.100 0.009 0.000 0.771 129 G HN 0.362 nan 8.290 nan 0.000 0.545 130 V N 0.885 120.791 119.914 -0.013 0.000 2.307 130 V HA -0.062 4.057 4.120 -0.000 0.000 0.245 130 V C 2.854 179.003 176.094 0.093 0.000 1.045 130 V CA 1.295 63.592 62.300 -0.005 0.000 1.024 130 V CB -0.402 31.347 31.823 -0.122 0.000 0.651 130 V HN 0.316 nan 8.190 nan 0.000 0.449 131 L N -0.065 121.204 121.223 0.077 0.000 2.217 131 L HA -0.060 4.280 4.340 -0.000 0.000 0.211 131 L C 2.671 179.576 176.870 0.057 0.000 1.107 131 L CA 1.200 56.109 54.840 0.115 0.000 0.783 131 L CB -0.747 41.360 42.059 0.079 0.000 0.919 131 L HN 0.371 nan 8.230 nan 0.000 0.442 132 A N 0.525 123.376 122.820 0.051 0.000 1.930 132 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 132 A C 2.410 180.079 177.584 0.143 0.000 1.175 132 A CA 1.535 53.630 52.037 0.097 0.000 0.627 132 A CB -1.070 18.030 19.000 0.168 0.000 0.815 132 A HN 0.411 nan 8.150 nan 0.000 0.443 133 G N -0.159 108.703 108.800 0.103 0.000 2.446 133 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 133 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 133 G C 1.589 176.524 174.900 0.059 0.000 1.168 133 G CA 1.019 46.169 45.100 0.082 0.000 0.771 133 G HN 0.433 nan 8.290 nan 0.000 0.551 134 L N 0.007 121.292 121.223 0.105 0.000 2.042 134 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 134 L C 2.861 179.707 176.870 -0.040 0.000 1.076 134 L CA 2.129 57.000 54.840 0.052 0.000 0.749 134 L CB -0.223 41.919 42.059 0.138 0.000 0.893 134 L HN 0.307 nan 8.230 nan 0.000 0.432 135 E N -0.574 119.593 120.200 -0.056 0.000 2.110 135 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 135 E C 2.007 178.588 176.600 -0.031 0.000 0.988 135 E CA 1.298 57.595 56.400 -0.173 0.000 0.804 135 E CB -0.131 29.228 29.700 -0.569 0.000 0.745 135 E HN 0.331 nan 8.360 nan 0.000 0.458 136 V N 0.741 120.708 119.914 0.089 0.000 2.255 136 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 136 V C 2.411 178.127 176.094 -0.630 0.000 1.051 136 V CA 1.942 64.106 62.300 -0.226 0.000 1.018 136 V CB -0.555 31.070 31.823 -0.329 0.000 0.641 136 V HN 0.349 nan 8.190 nan 0.000 0.445 137 L N -0.758 120.184 121.223 -0.469 0.000 2.046 137 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 137 L C 2.762 179.451 176.870 -0.302 0.000 1.077 137 L CA 1.733 56.250 54.840 -0.538 0.000 0.747 137 L CB -0.692 41.142 42.059 -0.375 0.000 0.896 137 L HN 0.257 nan 8.230 nan 0.000 0.432 138 R N -0.551 119.851 120.500 -0.163 0.000 2.096 138 R HA -0.118 4.221 4.340 -0.000 0.000 0.235 138 R C 2.327 178.619 176.300 -0.014 0.000 1.127 138 R CA 1.847 57.911 56.100 -0.060 0.000 0.968 138 R CB -0.521 29.743 30.300 -0.060 0.000 0.861 138 R HN 0.342 nan 8.270 nan 0.000 0.440 139 T N 0.697 115.226 114.554 -0.042 0.000 2.746 139 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 139 T C 1.565 176.358 174.700 0.155 0.000 1.039 139 T CA 1.262 63.385 62.100 0.038 0.000 1.142 139 T CB -0.299 68.600 68.868 0.052 0.000 0.866 139 T HN 0.190 nan 8.240 nan 0.000 0.444 140 F N 1.298 121.255 119.950 0.012 0.000 2.095 140 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 140 F C 2.751 178.646 175.800 0.158 0.000 1.104 140 F CA 0.865 58.921 58.000 0.094 0.000 1.232 140 F CB -0.157 38.839 39.000 -0.006 0.000 0.987 140 F HN 0.061 nan 8.300 nan 0.000 0.475 141 K N 0.491 121.086 120.400 0.325 0.000 2.057 141 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 141 K C 1.512 178.221 176.600 0.181 0.000 1.049 141 K CA 1.799 58.251 56.287 0.273 0.000 0.931 141 K CB -0.184 32.458 32.500 0.237 0.000 0.714 141 K HN 0.107 nan 8.250 nan 0.000 0.440 142 D N 0.493 120.978 120.400 0.142 0.000 2.178 142 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 142 D C 1.236 177.605 176.300 0.114 0.000 0.980 142 D CA 0.939 55.002 54.000 0.105 0.000 0.842 142 D CB -0.119 40.728 40.800 0.078 0.000 0.948 142 D HN 0.271 nan 8.370 nan 0.000 0.472 143 N N 0.647 119.441 118.700 0.156 0.000 2.280 143 N HA -0.029 4.711 4.740 -0.000 0.000 0.192 143 N C -0.208 175.406 175.510 0.173 0.000 1.109 143 N CA -0.024 53.119 53.050 0.156 0.000 0.855 143 N CB 0.361 38.950 38.487 0.170 0.000 0.974 143 N HN 0.069 nan 8.380 nan 0.000 0.482 144 N N 0.782 119.586 118.700 0.175 0.000 2.727 144 N HA -0.267 4.473 4.740 -0.000 0.000 0.249 144 N C -1.002 174.600 175.510 0.155 0.000 1.048 144 N CA 0.715 53.852 53.050 0.145 0.000 0.714 144 N CB -1.526 37.014 38.487 0.087 0.000 0.959 144 N HN 0.467 nan 8.380 nan 0.000 0.544 145 Y N 0.118 120.461 120.300 0.072 0.000 2.341 145 Y HA 0.410 4.960 4.550 -0.000 0.000 0.340 145 Y C -0.048 175.790 175.900 -0.103 0.000 0.997 145 Y CA -0.617 57.470 58.100 -0.023 0.000 1.149 145 Y CB 0.935 39.386 38.460 -0.016 0.000 1.171 145 Y HN -0.070 nan 8.280 nan 0.000 0.494 146 V N 9.331 128.944 119.914 -0.501 0.000 2.350 146 V HA 0.343 4.463 4.120 -0.000 0.000 0.276 146 V C -2.025 173.684 176.094 -0.642 0.000 1.028 146 V CA -1.964 60.107 62.300 -0.382 0.000 0.860 146 V CB 0.785 32.460 31.823 -0.247 0.000 0.990 146 V HN 0.708 nan 8.190 nan 0.000 0.453 147 P HA 0.186 nan 4.420 nan 0.000 0.272 147 P C 0.475 177.646 177.300 -0.215 0.000 1.230 147 P CA -0.266 62.636 63.100 -0.331 0.000 0.788 147 P CB 0.917 32.541 31.700 -0.127 0.000 0.949 148 N N -0.050 118.560 118.700 -0.149 0.000 2.188 148 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 148 N C 0.213 175.446 175.510 -0.461 0.000 1.018 148 N CA 1.523 54.419 53.050 -0.257 0.000 0.858 148 N CB -0.201 38.206 38.487 -0.132 0.000 0.989 148 N HN 0.518 nan 8.380 nan 0.000 0.426 149 Y N 0.430 120.732 120.300 0.005 0.000 2.602 149 Y HA 0.258 4.808 4.550 -0.000 0.000 0.342 149 Y C -0.083 175.878 175.900 0.103 0.000 1.029 149 Y CA -1.330 56.797 58.100 0.045 0.000 1.080 149 Y CB 0.772 39.267 38.460 0.058 0.000 1.284 149 Y HN -0.215 nan 8.280 nan 0.000 0.485 150 D N 0.839 121.402 120.400 0.273 0.000 2.506 150 D HA 0.237 4.876 4.640 -0.000 0.000 0.234 150 D C -0.789 175.700 176.300 0.314 0.000 1.143 150 D CA 0.578 54.729 54.000 0.251 0.000 0.871 150 D CB 0.748 41.673 40.800 0.207 0.000 1.190 150 D HN 0.132 nan 8.370 nan 0.000 0.459 151 V N 1.706 121.834 119.914 0.356 0.000 2.680 151 V HA 0.481 4.601 4.120 -0.000 0.000 0.309 151 V C 0.102 176.391 176.094 0.325 0.000 1.052 151 V CA -0.805 61.712 62.300 0.363 0.000 0.908 151 V CB 1.744 33.827 31.823 0.433 0.000 1.001 151 V HN 0.908 nan 8.190 nan 0.000 0.431 152 C N 3.242 122.709 119.300 0.279 0.000 2.712 152 C HA 0.908 5.368 4.460 -0.000 0.000 0.308 152 C C -0.590 174.523 174.990 0.205 0.000 1.201 152 C CA -0.713 58.457 59.018 0.253 0.000 1.554 152 C CB 0.985 28.890 27.740 0.276 0.000 2.117 152 C HN 0.598 nan 8.230 nan 0.000 0.480 153 V N 3.432 123.458 119.914 0.186 0.000 2.394 153 V HA 0.577 4.697 4.120 -0.000 0.000 0.282 153 V C 0.049 176.177 176.094 0.056 0.000 1.031 153 V CA -0.229 62.166 62.300 0.157 0.000 0.881 153 V CB 1.278 33.252 31.823 0.252 0.000 0.982 153 V HN 0.849 nan 8.190 nan 0.000 0.451 154 V N 5.393 125.226 119.914 -0.136 0.000 2.459 154 V HA 0.480 4.600 4.120 -0.000 0.000 0.295 154 V C -0.164 175.575 176.094 -0.593 0.000 1.029 154 V CA -0.664 61.274 62.300 -0.603 0.000 0.874 154 V CB 1.948 33.161 31.823 -1.016 0.000 0.985 154 V HN 0.590 nan 8.190 nan 0.000 0.438 155 V N 3.725 123.218 119.914 -0.701 0.000 2.334 155 V HA 0.363 4.483 4.120 -0.000 0.000 0.281 155 V C -0.727 175.097 176.094 -0.451 0.000 1.016 155 V CA -0.657 61.346 62.300 -0.496 0.000 0.832 155 V CB 0.938 32.448 31.823 -0.522 0.000 0.999 155 V HN 0.892 nan 8.190 nan 0.000 0.439 156 W N 3.870 125.106 121.300 -0.106 0.000 2.315 156 W HA 0.489 5.149 4.660 -0.000 0.000 0.316 156 W C 0.139 176.697 176.519 0.065 0.000 1.211 156 W CA -0.650 56.674 57.345 -0.034 0.000 1.201 156 W CB 0.666 30.121 29.460 -0.009 0.000 1.184 156 W HN 0.548 nan 8.180 nan 0.000 0.544 157 F N 4.443 124.525 119.950 0.220 0.000 2.484 157 F HA 0.083 4.610 4.527 -0.000 0.000 0.360 157 F C 1.035 176.927 175.800 0.153 0.000 1.101 157 F CA -0.460 57.628 58.000 0.146 0.000 1.251 157 F CB 0.305 39.384 39.000 0.131 0.000 1.132 157 F HN 0.543 nan 8.300 nan 0.000 0.570 158 N N 3.628 121.813 118.700 -0.857 0.000 2.669 158 N HA -0.254 4.486 4.740 -0.000 0.000 0.266 158 N C 0.459 175.799 175.510 -0.283 0.000 1.024 158 N CA 0.712 53.338 53.050 -0.708 0.000 0.766 158 N CB -0.840 37.011 38.487 -1.061 0.000 0.898 158 N HN 0.834 nan 8.380 nan 0.000 0.548 159 A N 0.693 123.382 122.820 -0.218 0.000 1.969 159 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 159 A C 1.925 179.374 177.584 -0.225 0.000 1.169 159 A CA 1.352 53.253 52.037 -0.227 0.000 0.635 159 A CB -0.118 18.662 19.000 -0.367 0.000 0.810 159 A HN 0.555 nan 8.150 nan 0.000 0.445 160 E N -1.047 119.014 120.200 -0.232 0.000 2.107 160 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 160 E C 1.415 178.066 176.600 0.084 0.000 0.982 160 E CA 0.856 57.201 56.400 -0.090 0.000 0.809 160 E CB -0.415 29.230 29.700 -0.092 0.000 0.756 160 E HN 0.789 nan 8.360 nan 0.000 0.459 161 G N 0.747 109.604 108.800 0.096 0.000 2.221 161 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.265 161 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.265 161 G C 0.866 175.886 174.900 0.199 0.000 1.041 161 G CA 0.831 46.087 45.100 0.261 0.000 0.807 161 G HN 0.485 nan 8.290 nan 0.000 0.502 162 A N -0.400 122.452 122.820 0.054 0.000 1.881 162 A HA 0.429 4.748 4.320 -0.000 0.000 0.210 162 A C 2.113 179.647 177.584 -0.083 0.000 1.239 162 A CA 1.658 53.671 52.037 -0.041 0.000 0.629 162 A CB -0.179 18.765 19.000 -0.094 0.000 0.906 162 A HN 0.412 nan 8.150 nan 0.000 0.460 163 R N -1.795 118.625 120.500 -0.134 0.000 2.115 163 R HA 0.058 4.398 4.340 -0.000 0.000 0.226 163 R C -0.826 175.130 176.300 -0.572 0.000 1.100 163 R CA 0.667 56.550 56.100 -0.363 0.000 0.980 163 R CB -0.042 29.989 30.300 -0.449 0.000 0.875 163 R HN 0.419 nan 8.270 nan 0.000 0.445 164 F N -0.536 119.447 119.950 0.056 0.000 2.477 164 F HA 0.421 4.948 4.527 -0.000 0.000 0.335 164 F C 0.137 176.010 175.800 0.122 0.000 1.130 164 F CA -1.125 56.932 58.000 0.095 0.000 0.948 164 F CB 1.899 40.974 39.000 0.125 0.000 1.154 164 F HN -0.117 nan 8.300 nan 0.000 0.439 165 A N 3.712 126.704 122.820 0.286 0.000 3.051 165 A HA 0.467 4.786 4.320 -0.000 0.000 0.257 165 A C 0.167 177.999 177.584 0.413 0.000 1.785 165 A CA 0.051 52.270 52.037 0.304 0.000 1.420 165 A CB -0.743 18.380 19.000 0.204 0.000 1.063 165 A HN 0.616 nan 8.150 nan 0.000 0.630 166 R N 0.530 121.258 120.500 0.380 0.000 2.585 166 R HA 0.281 4.620 4.340 -0.000 0.000 0.288 166 R C -0.327 176.035 176.300 0.103 0.000 1.194 166 R CA 0.302 56.527 56.100 0.210 0.000 1.006 166 R CB 0.410 30.800 30.300 0.150 0.000 1.229 166 R HN 0.418 nan 8.270 nan 0.000 0.412 167 S N 1.851 117.490 115.700 -0.102 0.000 2.585 167 S HA 0.209 4.678 4.470 -0.000 0.000 0.273 167 S C 0.386 174.931 174.600 -0.092 0.000 1.339 167 S CA 0.272 58.417 58.200 -0.092 0.000 1.028 167 S CB 0.637 63.726 63.200 -0.184 0.000 0.906 167 S HN 0.983 nan 8.310 nan 0.000 0.528 168 C N 1.755 121.013 119.300 -0.071 0.000 4.167 168 C HA -0.140 4.320 4.460 -0.000 0.000 0.302 168 C C 1.775 176.757 174.990 -0.013 0.000 1.384 168 C CA 0.541 59.521 59.018 -0.064 0.000 2.041 168 C CB -3.483 24.202 27.740 -0.092 0.000 1.303 168 C HN 1.056 nan 8.230 nan 0.000 0.718 169 T N 0.874 115.442 114.554 0.024 0.000 2.622 169 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 169 T C 2.067 176.897 174.700 0.217 0.000 1.047 169 T CA 2.206 64.374 62.100 0.114 0.000 1.159 169 T CB -0.267 68.689 68.868 0.147 0.000 0.863 169 T HN 0.887 nan 8.240 nan 0.000 0.422 170 G N 1.497 110.492 108.800 0.326 0.000 2.446 170 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 170 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 170 G C 1.942 177.095 174.900 0.421 0.000 1.168 170 G CA 1.520 46.895 45.100 0.457 0.000 0.771 170 G HN 0.631 nan 8.290 nan 0.000 0.551 171 S N 0.374 116.182 115.700 0.181 0.000 2.402 171 S HA -0.043 4.427 4.470 -0.000 0.000 0.229 171 S C 2.401 177.034 174.600 0.055 0.000 1.021 171 S CA 1.583 59.653 58.200 -0.216 0.000 0.974 171 S CB -0.288 62.324 63.200 -0.980 0.000 0.800 171 S HN 0.220 nan 8.310 nan 0.000 0.484 172 S N 1.406 117.147 115.700 0.069 0.000 2.383 172 S HA -0.003 4.467 4.470 -0.000 0.000 0.227 172 S C 1.932 176.639 174.600 0.178 0.000 1.026 172 S CA 1.141 59.398 58.200 0.094 0.000 0.981 172 S CB -0.503 62.718 63.200 0.035 0.000 0.818 172 S HN 0.445 nan 8.310 nan 0.000 0.472 173 V N 0.128 120.172 119.914 0.218 0.000 2.270 173 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 173 V C 1.854 178.158 176.094 0.349 0.000 1.043 173 V CA 1.669 64.098 62.300 0.215 0.000 1.014 173 V CB -0.767 31.160 31.823 0.172 0.000 0.645 173 V HN 0.688 nan 8.190 nan 0.000 0.447 174 W N 1.696 123.163 121.300 0.278 0.000 2.321 174 W HA -0.296 4.364 4.660 -0.000 0.000 0.306 174 W C 2.710 179.459 176.519 0.384 0.000 1.217 174 W CA 2.333 59.900 57.345 0.370 0.000 1.257 174 W CB -0.241 29.530 29.460 0.519 0.000 1.145 174 W HN 0.338 nan 8.180 nan 0.000 0.509 175 S N -1.530 114.435 115.700 0.441 0.000 2.593 175 S HA -0.009 4.461 4.470 -0.000 0.000 0.217 175 S C 0.449 175.211 174.600 0.270 0.000 0.966 175 S CA 0.876 59.187 58.200 0.185 0.000 0.914 175 S CB -0.950 62.460 63.200 0.350 0.000 0.776 175 S HN 0.609 nan 8.310 nan 0.000 0.523 176 H N -0.814 118.333 119.070 0.128 0.000 3.080 176 H HA -0.167 4.389 4.556 -0.000 0.000 0.254 176 H C 0.415 175.786 175.328 0.073 0.000 1.179 176 H CA 0.660 56.767 56.048 0.097 0.000 1.144 176 H CB -1.665 28.176 29.762 0.132 0.000 1.261 176 H HN 0.570 nan 8.280 nan 0.000 0.333 177 D N 0.606 121.110 120.400 0.173 0.000 2.277 177 D HA 0.071 4.711 4.640 -0.000 0.000 0.208 177 D C 0.468 176.794 176.300 0.043 0.000 0.962 177 D CA 0.552 54.599 54.000 0.077 0.000 0.865 177 D CB 0.436 41.258 40.800 0.036 0.000 0.939 177 D HN 0.241 nan 8.370 nan 0.000 0.510 178 L N 0.470 121.725 121.223 0.053 0.000 2.436 178 L HA 0.405 4.745 4.340 -0.000 0.000 0.268 178 L C -0.624 176.245 176.870 -0.002 0.000 0.974 178 L CA -0.736 54.119 54.840 0.024 0.000 0.826 178 L CB 1.746 43.825 42.059 0.034 0.000 1.291 178 L HN -0.024 nan 8.230 nan 0.000 0.406 179 S N 3.521 119.202 115.700 -0.032 0.000 2.576 179 S HA 0.184 4.654 4.470 -0.000 0.000 0.276 179 S C 1.085 175.620 174.600 -0.108 0.000 1.339 179 S CA -0.291 57.862 58.200 -0.078 0.000 1.039 179 S CB 0.883 64.041 63.200 -0.070 0.000 0.902 179 S HN 0.816 nan 8.310 nan 0.000 0.516 180 L N 1.370 122.487 121.223 -0.176 0.000 2.079 180 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 180 L C 2.208 178.830 176.870 -0.413 0.000 1.081 180 L CA 1.978 56.614 54.840 -0.341 0.000 0.752 180 L CB -1.051 40.779 42.059 -0.381 0.000 0.896 180 L HN 0.816 nan 8.230 nan 0.000 0.433 181 E N -0.244 119.835 120.200 -0.202 0.000 2.051 181 E HA -0.227 4.122 4.350 -0.000 0.000 0.192 181 E C 2.183 178.781 176.600 -0.002 0.000 0.991 181 E CA 1.499 57.861 56.400 -0.064 0.000 0.799 181 E CB -0.266 29.416 29.700 -0.030 0.000 0.748 181 E HN 0.590 nan 8.360 nan 0.000 0.449 182 E N -0.041 120.148 120.200 -0.018 0.000 2.077 182 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 182 E C 1.981 178.608 176.600 0.045 0.000 0.989 182 E CA 0.929 57.342 56.400 0.021 0.000 0.800 182 E CB -0.082 29.628 29.700 0.016 0.000 0.746 182 E HN 0.248 nan 8.360 nan 0.000 0.452 183 A N 0.502 123.328 122.820 0.010 0.000 1.902 183 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 183 A C 1.940 179.596 177.584 0.121 0.000 1.181 183 A CA 1.296 53.361 52.037 0.047 0.000 0.623 183 A CB -0.858 18.151 19.000 0.015 0.000 0.818 183 A HN 0.356 nan 8.150 nan 0.000 0.443 184 Y N 0.108 120.422 120.300 0.024 0.000 2.256 184 Y HA -0.103 4.447 4.550 -0.000 0.000 0.288 184 Y C 2.651 178.568 175.900 0.030 0.000 1.155 184 Y CA 0.588 58.707 58.100 0.031 0.000 1.203 184 Y CB -1.129 37.340 38.460 0.015 0.000 0.980 184 Y HN 0.326 nan 8.280 nan 0.000 0.530 185 G N -0.836 108.079 108.800 0.193 0.000 2.985 185 G HA2 0.079 4.039 3.960 -0.000 0.000 0.209 185 G HA3 0.079 4.039 3.960 -0.000 0.000 0.209 185 G C 0.535 175.517 174.900 0.137 0.000 1.165 185 G CA -0.288 44.892 45.100 0.133 0.000 0.776 185 G HN 0.136 nan 8.290 nan 0.000 0.541 186 L N 1.754 123.058 121.223 0.135 0.000 2.499 186 L HA 0.203 4.543 4.340 -0.000 0.000 0.273 186 L C 0.282 177.340 176.870 0.314 0.000 1.195 186 L CA -0.001 54.955 54.840 0.193 0.000 0.882 186 L CB 0.733 42.894 42.059 0.171 0.000 1.133 186 L HN 0.054 nan 8.230 nan 0.000 0.483 187 M N 2.307 122.124 119.600 0.363 0.000 2.404 187 M HA 0.264 4.744 4.480 -0.000 0.000 0.338 187 M C 0.225 176.740 176.300 0.360 0.000 1.150 187 M CA -0.543 54.974 55.300 0.361 0.000 1.016 187 M CB 1.689 34.408 32.600 0.199 0.000 1.672 187 M HN 0.642 nan 8.290 nan 0.000 0.448 188 S N 1.701 117.531 115.700 0.217 0.000 2.579 188 S HA 0.506 4.976 4.470 -0.000 0.000 0.275 188 S C -0.134 174.391 174.600 -0.126 0.000 1.345 188 S CA -0.743 57.316 58.200 -0.235 0.000 1.031 188 S CB 0.626 63.647 63.200 -0.298 0.000 0.892 188 S HN 0.498 nan 8.310 nan 0.000 0.529 189 V N 2.366 122.159 119.914 -0.202 0.000 2.513 189 V HA 0.694 4.814 4.120 -0.000 0.000 0.299 189 V C 1.124 177.153 176.094 -0.109 0.000 1.035 189 V CA 0.244 62.479 62.300 -0.108 0.000 0.889 189 V CB 0.717 32.486 31.823 -0.089 0.000 0.988 189 V HN 1.546 nan 8.190 nan 0.000 0.440 190 G N 3.787 112.543 108.800 -0.073 0.000 2.176 190 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.252 190 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.252 190 G C -0.130 174.733 174.900 -0.062 0.000 1.024 190 G CA 0.398 45.457 45.100 -0.068 0.000 0.755 190 G HN 0.694 nan 8.290 nan 0.000 0.507 191 E N -1.195 118.972 120.200 -0.055 0.000 2.256 191 E HA 0.435 4.785 4.350 -0.000 0.000 0.267 191 E C 0.714 177.297 176.600 -0.029 0.000 0.892 191 E CA -0.341 56.034 56.400 -0.042 0.000 0.775 191 E CB 1.493 31.167 29.700 -0.043 0.000 1.207 191 E HN 0.093 nan 8.360 nan 0.000 0.420 192 D N 2.127 122.513 120.400 -0.023 0.000 2.117 192 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 192 D C 0.311 176.607 176.300 -0.006 0.000 0.987 192 D CA 1.303 55.292 54.000 -0.018 0.000 0.829 192 D CB 0.332 41.123 40.800 -0.015 0.000 0.961 192 D HN 0.139 nan 8.370 nan 0.000 0.460 193 K N 0.402 120.803 120.400 0.002 0.000 2.478 193 K HA 0.311 4.630 4.320 -0.000 0.000 0.236 193 K C -2.698 173.917 176.600 0.025 0.000 1.021 193 K CA -1.946 54.350 56.287 0.016 0.000 1.010 193 K CB 1.337 33.849 32.500 0.020 0.000 1.331 193 K HN -0.007 nan 8.250 nan 0.000 0.470 194 P HA 0.029 nan 4.420 nan 0.000 0.271 194 P C -1.141 176.209 177.300 0.084 0.000 1.216 194 P CA 0.007 63.134 63.100 0.046 0.000 0.776 194 P CB 0.767 32.495 31.700 0.048 0.000 0.881 195 E N 0.256 120.533 120.200 0.129 0.000 2.416 195 E HA 0.569 4.919 4.350 -0.000 0.000 0.273 195 E C -0.915 175.872 176.600 0.310 0.000 0.935 195 E CA -1.033 55.474 56.400 0.179 0.000 0.784 195 E CB 1.371 31.162 29.700 0.151 0.000 1.301 195 E HN 0.325 nan 8.360 nan 0.000 0.454 196 S N 0.493 116.349 115.700 0.259 0.000 2.632 196 S HA 0.135 4.605 4.470 -0.000 0.000 0.267 196 S C 1.181 175.902 174.600 0.201 0.000 1.276 196 S CA -0.556 57.797 58.200 0.256 0.000 0.998 196 S CB 1.375 64.681 63.200 0.176 0.000 0.953 196 S HN 0.442 nan 8.310 nan 0.000 0.547 197 V N 1.107 120.991 119.914 -0.051 0.000 2.287 197 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 197 V C 2.021 178.083 176.094 -0.052 0.000 1.053 197 V CA 2.352 64.498 62.300 -0.256 0.000 1.027 197 V CB -1.318 30.339 31.823 -0.277 0.000 0.646 197 V HN 0.922 nan 8.190 nan 0.000 0.447 198 Y N 1.420 121.633 120.300 -0.144 0.000 2.081 198 Y HA -0.285 4.264 4.550 -0.000 0.000 0.280 198 Y C 2.468 178.254 175.900 -0.189 0.000 1.163 198 Y CA 2.233 60.126 58.100 -0.345 0.000 1.135 198 Y CB -0.466 37.707 38.460 -0.479 0.000 0.970 198 Y HN 0.355 nan 8.280 nan 0.000 0.498 199 D N -0.781 119.600 120.400 -0.032 0.000 2.144 199 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 199 D C 2.343 178.616 176.300 -0.044 0.000 0.984 199 D CA 1.607 55.575 54.000 -0.053 0.000 0.834 199 D CB -0.311 40.532 40.800 0.071 0.000 0.955 199 D HN 0.354 nan 8.370 nan 0.000 0.465 200 S N 0.721 116.449 115.700 0.046 0.000 2.353 200 S HA -0.103 4.367 4.470 -0.000 0.000 0.222 200 S C 2.271 176.889 174.600 0.029 0.000 1.035 200 S CA 0.672 58.939 58.200 0.111 0.000 1.025 200 S CB -0.351 63.027 63.200 0.297 0.000 0.902 200 S HN 0.241 nan 8.310 nan 0.000 0.440 201 L N 1.311 122.489 121.223 -0.075 0.000 2.083 201 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 201 L C 2.717 179.512 176.870 -0.124 0.000 1.083 201 L CA 1.053 55.828 54.840 -0.108 0.000 0.752 201 L CB -0.450 41.472 42.059 -0.228 0.000 0.899 201 L HN 0.221 nan 8.230 nan 0.000 0.433 202 K N 0.556 120.795 120.400 -0.268 0.000 2.057 202 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 202 K C 1.805 178.331 176.600 -0.124 0.000 1.049 202 K CA 1.479 57.600 56.287 -0.277 0.000 0.931 202 K CB -0.137 32.095 32.500 -0.447 0.000 0.714 202 K HN 0.294 nan 8.250 nan 0.000 0.440 203 N N 1.388 120.045 118.700 -0.070 0.000 2.120 203 N HA -0.157 4.582 4.740 -0.000 0.000 0.188 203 N C 1.841 177.368 175.510 0.028 0.000 1.024 203 N CA 1.598 54.642 53.050 -0.011 0.000 0.852 203 N CB -0.262 38.236 38.487 0.018 0.000 1.003 203 N HN 0.508 nan 8.380 nan 0.000 0.424 204 I N -4.124 116.488 120.570 0.071 0.000 3.578 204 I HA 0.331 4.500 4.170 -0.000 0.000 0.295 204 I C 0.874 177.092 176.117 0.168 0.000 1.280 204 I CA 0.363 61.755 61.300 0.154 0.000 1.347 204 I CB -0.232 37.899 38.000 0.219 0.000 1.051 204 I HN 0.021 nan 8.210 nan 0.000 0.460 205 G N 1.413 110.236 108.800 0.037 0.000 2.204 205 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.244 205 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.244 205 G C -0.141 174.584 174.900 -0.291 0.000 1.062 205 G CA 0.167 45.196 45.100 -0.118 0.000 0.798 205 G HN 0.578 nan 8.290 nan 0.000 0.496 206 Y N -0.609 119.661 120.300 -0.051 0.000 2.720 206 Y HA 0.470 5.020 4.550 -0.000 0.000 0.268 206 Y C 1.342 177.207 175.900 -0.058 0.000 1.142 206 Y CA -0.682 57.396 58.100 -0.036 0.000 1.193 206 Y CB 0.563 39.012 38.460 -0.018 0.000 1.176 206 Y HN 0.327 nan 8.280 nan 0.000 0.542 207 I N 1.195 121.755 120.570 -0.018 0.000 2.294 207 I HA 0.242 4.412 4.170 -0.000 0.000 0.295 207 I C 1.088 177.216 176.117 0.019 0.000 1.098 207 I CA -0.100 61.201 61.300 0.001 0.000 1.277 207 I CB 0.196 38.148 38.000 -0.081 0.000 1.434 207 I HN 0.239 nan 8.210 nan 0.000 0.498 208 G N 3.446 112.289 108.800 0.072 0.000 2.557 208 G HA2 0.132 4.092 3.960 -0.000 0.000 0.292 208 G HA3 0.132 4.092 3.960 -0.000 0.000 0.292 208 G C 0.133 175.079 174.900 0.077 0.000 1.237 208 G CA -0.280 44.859 45.100 0.066 0.000 0.978 208 G HN 0.518 nan 8.290 nan 0.000 0.498 209 D N -1.001 119.438 120.400 0.064 0.000 2.346 209 D HA 0.116 4.756 4.640 -0.000 0.000 0.206 209 D C 1.206 177.546 176.300 0.067 0.000 1.001 209 D CA 0.527 54.562 54.000 0.059 0.000 0.871 209 D CB 0.170 40.993 40.800 0.038 0.000 0.943 209 D HN 0.245 nan 8.370 nan 0.000 0.518 210 T N 2.805 117.409 114.554 0.083 0.000 2.870 210 T HA 0.208 4.558 4.350 -0.000 0.000 0.300 210 T C -2.455 172.301 174.700 0.094 0.000 0.989 210 T CA -1.166 60.981 62.100 0.079 0.000 1.139 210 T CB 1.299 70.221 68.868 0.090 0.000 0.920 210 T HN -0.083 nan 8.240 nan 0.000 0.537 211 P HA 0.186 nan 4.420 nan 0.000 0.265 211 P C -0.765 176.608 177.300 0.121 0.000 1.193 211 P CA -0.256 62.882 63.100 0.064 0.000 0.765 211 P CB 0.340 32.050 31.700 0.017 0.000 0.823 212 A N 2.226 125.134 122.820 0.146 0.000 3.078 212 A HA 0.452 4.771 4.320 -0.000 0.000 0.279 212 A C 0.263 177.981 177.584 0.223 0.000 1.594 212 A CA 0.252 52.448 52.037 0.265 0.000 1.301 212 A CB -0.813 18.329 19.000 0.236 0.000 1.162 212 A HN 0.387 nan 8.150 nan 0.000 0.585 213 S N -0.061 115.716 115.700 0.129 0.000 2.543 213 S HA 0.406 4.876 4.470 -0.000 0.000 0.271 213 S C 0.403 174.681 174.600 -0.537 0.000 1.148 213 S CA -0.490 57.663 58.200 -0.078 0.000 0.914 213 S CB 0.548 63.759 63.200 0.019 0.000 1.096 213 S HN 0.882 nan 8.310 nan 0.000 0.471 214 Y N 3.681 123.250 120.300 -1.217 0.000 2.497 214 Y HA 0.249 4.799 4.550 -0.000 0.000 0.292 214 Y C 1.481 176.989 175.900 -0.653 0.000 1.137 214 Y CA 1.161 58.368 58.100 -1.488 0.000 1.285 214 Y CB -0.242 36.956 38.460 -2.103 0.000 0.991 214 Y HN 0.566 nan 8.280 nan 0.000 0.556 215 K N 0.382 120.102 120.400 -1.133 0.000 2.243 215 K HA -0.024 4.296 4.320 -0.000 0.000 0.201 215 K C 1.466 177.861 176.600 -0.341 0.000 1.051 215 K CA 1.287 57.127 56.287 -0.746 0.000 0.970 215 K CB 0.063 32.108 32.500 -0.758 0.000 0.755 215 K HN 0.540 nan 8.250 nan 0.000 0.465 216 E N 0.101 120.146 120.200 -0.259 0.000 2.290 216 E HA -0.013 4.337 4.350 -0.000 0.000 0.199 216 E C 0.196 176.753 176.600 -0.071 0.000 0.912 216 E CA 0.155 56.478 56.400 -0.127 0.000 0.924 216 E CB 0.227 29.872 29.700 -0.091 0.000 0.901 216 E HN 0.021 nan 8.360 nan 0.000 0.487 217 N N 2.223 120.893 118.700 -0.050 0.000 2.816 217 N HA 0.063 4.803 4.740 -0.000 0.000 0.236 217 N C -1.244 174.340 175.510 0.124 0.000 1.076 217 N CA 0.035 53.077 53.050 -0.012 0.000 0.902 217 N CB 0.405 38.848 38.487 -0.075 0.000 1.149 217 N HN -0.033 nan 8.380 nan 0.000 0.506 218 E N 2.141 122.399 120.200 0.097 0.000 2.277 218 E HA 0.411 4.761 4.350 -0.000 0.000 0.274 218 E C 0.066 176.819 176.600 0.255 0.000 1.022 218 E CA -0.660 55.859 56.400 0.198 0.000 0.853 218 E CB 1.717 31.481 29.700 0.107 0.000 1.086 218 E HN 0.590 nan 8.360 nan 0.000 0.397 219 I N -1.684 119.114 120.570 0.381 0.000 2.892 219 I HA 0.399 4.569 4.170 -0.000 0.000 0.306 219 I C -0.061 176.226 176.117 0.284 0.000 1.078 219 I CA -0.720 60.776 61.300 0.327 0.000 1.032 219 I CB 2.126 40.348 38.000 0.369 0.000 1.229 219 I HN 0.345 nan 8.210 nan 0.000 0.435 220 D N 2.341 122.888 120.400 0.245 0.000 2.271 220 D HA 0.446 5.086 4.640 -0.000 0.000 0.206 220 D C 0.284 176.688 176.300 0.172 0.000 0.967 220 D CA 0.966 55.101 54.000 0.224 0.000 0.867 220 D CB 0.578 41.536 40.800 0.263 0.000 0.960 220 D HN 0.854 nan 8.370 nan 0.000 0.509 221 A N -1.130 121.754 122.820 0.107 0.000 2.544 221 A HA 0.412 4.732 4.320 -0.000 0.000 0.291 221 A C -1.761 175.799 177.584 -0.039 0.000 1.055 221 A CA -0.698 51.261 52.037 -0.130 0.000 0.651 221 A CB 0.872 19.500 19.000 -0.620 0.000 1.296 221 A HN 0.207 nan 8.150 nan 0.000 0.431 222 H N 0.428 119.288 119.070 -0.351 0.000 2.924 222 H HA 0.598 5.154 4.556 -0.000 0.000 0.333 222 H C -2.033 173.031 175.328 -0.440 0.000 0.979 222 H CA -0.267 55.654 56.048 -0.211 0.000 1.326 222 H CB 0.794 30.519 29.762 -0.062 0.000 1.600 222 H HN 0.466 nan 8.280 nan 0.000 0.520 223 F N 2.804 122.491 119.950 -0.439 0.000 2.458 223 F HA 0.270 4.797 4.527 -0.000 0.000 0.336 223 F C 0.311 175.833 175.800 -0.463 0.000 1.114 223 F CA -0.614 57.155 58.000 -0.385 0.000 0.987 223 F CB 1.915 40.774 39.000 -0.235 0.000 1.130 223 F HN 0.495 nan 8.300 nan 0.000 0.458 224 E N 3.712 123.800 120.200 -0.186 0.000 2.218 224 E HA 0.433 4.782 4.350 -0.000 0.000 0.263 224 E C -1.818 174.770 176.600 -0.019 0.000 0.879 224 E CA -1.037 55.301 56.400 -0.103 0.000 0.762 224 E CB 1.656 31.330 29.700 -0.043 0.000 1.166 224 E HN 0.597 nan 8.360 nan 0.000 0.415 225 L N 5.346 126.589 121.223 0.035 0.000 2.305 225 L HA 0.432 4.772 4.340 -0.000 0.000 0.281 225 L C -1.215 175.744 176.870 0.149 0.000 1.085 225 L CA 0.051 54.935 54.840 0.073 0.000 0.813 225 L CB 0.950 43.042 42.059 0.055 0.000 1.157 225 L HN 0.639 nan 8.230 nan 0.000 0.436 226 H N 4.381 123.523 119.070 0.120 0.000 3.012 226 H HA 0.407 4.963 4.556 -0.000 0.000 0.367 226 H C -0.828 174.569 175.328 0.115 0.000 1.211 226 H CA -0.594 55.541 56.048 0.144 0.000 1.139 226 H CB 1.884 31.743 29.762 0.162 0.000 1.838 226 H HN 0.750 nan 8.280 nan 0.000 0.550 227 I N -0.106 120.478 120.570 0.022 0.000 2.754 227 I HA 0.086 4.256 4.170 -0.000 0.000 0.285 227 I C 1.538 177.490 176.117 -0.276 0.000 1.166 227 I CA -0.008 61.251 61.300 -0.069 0.000 1.417 227 I CB 0.764 38.697 38.000 -0.112 0.000 1.382 227 I HN 0.669 nan 8.210 nan 0.000 0.588 228 E N 3.158 123.011 120.200 -0.578 0.000 2.077 228 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 228 E C 0.698 176.903 176.600 -0.657 0.000 0.989 228 E CA 1.747 57.488 56.400 -1.098 0.000 0.800 228 E CB 0.037 29.393 29.700 -0.573 0.000 0.746 228 E HN 0.891 nan 8.360 nan 0.000 0.452 229 Q N -1.798 117.811 119.800 -0.319 0.000 2.362 229 Q HA -0.184 4.156 4.340 -0.000 0.000 0.220 229 Q C -0.032 175.853 176.000 -0.192 0.000 0.713 229 Q CA 0.538 56.226 55.803 -0.192 0.000 1.345 229 Q CB -1.653 26.994 28.738 -0.151 0.000 1.570 229 Q HN 0.389 nan 8.270 nan 0.000 0.701 230 G N -0.627 108.043 108.800 -0.216 0.000 2.733 230 G HA2 0.592 4.552 3.960 -0.000 0.000 0.288 230 G HA3 0.592 4.552 3.960 -0.000 0.000 0.288 230 G C -2.719 172.092 174.900 -0.149 0.000 1.373 230 G CA -0.793 44.204 45.100 -0.173 0.000 0.895 230 G HN -0.113 nan 8.290 nan 0.000 0.479 231 P HA 0.161 nan 4.420 nan 0.000 0.261 231 P C 1.639 178.883 177.300 -0.092 0.000 1.268 231 P CA -0.034 63.009 63.100 -0.095 0.000 0.833 231 P CB 0.523 32.177 31.700 -0.076 0.000 1.231 232 I N -0.054 120.450 120.570 -0.110 0.000 2.127 232 I HA -0.243 3.927 4.170 -0.000 0.000 0.241 232 I C 2.496 178.568 176.117 -0.076 0.000 1.075 232 I CA 1.477 62.718 61.300 -0.098 0.000 1.334 232 I CB -0.719 37.203 38.000 -0.129 0.000 1.040 232 I HN -0.112 nan 8.210 nan 0.000 0.405 233 L N 0.270 121.446 121.223 -0.078 0.000 2.046 233 L HA -0.212 4.127 4.340 -0.000 0.000 0.208 233 L C 2.645 179.475 176.870 -0.065 0.000 1.077 233 L CA 1.398 56.198 54.840 -0.067 0.000 0.747 233 L CB -0.611 41.407 42.059 -0.070 0.000 0.896 233 L HN 0.328 nan 8.230 nan 0.000 0.432 234 E N 0.375 120.533 120.200 -0.069 0.000 2.051 234 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 234 E C 1.633 178.208 176.600 -0.043 0.000 0.991 234 E CA 1.517 57.884 56.400 -0.055 0.000 0.799 234 E CB 0.125 29.793 29.700 -0.053 0.000 0.748 234 E HN 0.408 nan 8.360 nan 0.000 0.449 235 D N 0.592 120.965 120.400 -0.045 0.000 2.144 235 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 235 D C 1.104 177.387 176.300 -0.028 0.000 0.984 235 D CA 1.118 55.096 54.000 -0.035 0.000 0.834 235 D CB -0.084 40.693 40.800 -0.039 0.000 0.955 235 D HN 0.353 nan 8.370 nan 0.000 0.465 236 E N -0.191 119.991 120.200 -0.031 0.000 2.463 236 E HA 0.099 4.449 4.350 -0.000 0.000 0.193 236 E C -0.530 176.058 176.600 -0.019 0.000 1.041 236 E CA -0.207 56.180 56.400 -0.022 0.000 0.879 236 E CB -0.183 29.504 29.700 -0.022 0.000 0.997 236 E HN 0.277 nan 8.360 nan 0.000 0.478 237 N N 2.084 120.769 118.700 -0.025 0.000 2.725 237 N HA -0.152 4.588 4.740 -0.000 0.000 0.251 237 N C -1.029 174.463 175.510 -0.030 0.000 1.031 237 N CA 0.469 53.505 53.050 -0.023 0.000 0.720 237 N CB -0.333 38.149 38.487 -0.009 0.000 0.930 237 N HN 0.008 nan 8.380 nan 0.000 0.543 238 K N 0.037 120.408 120.400 -0.049 0.000 2.156 238 K HA 0.602 4.922 4.320 -0.000 0.000 0.254 238 K C 0.822 177.353 176.600 -0.115 0.000 0.950 238 K CA -0.222 56.022 56.287 -0.072 0.000 0.849 238 K CB 1.728 34.188 32.500 -0.067 0.000 1.100 238 K HN 0.134 nan 8.250 nan 0.000 0.434 239 A N 2.517 125.227 122.820 -0.184 0.000 1.997 239 A HA 0.188 4.508 4.320 -0.000 0.000 0.212 239 A C 0.544 177.922 177.584 -0.344 0.000 1.178 239 A CA 0.783 52.652 52.037 -0.279 0.000 0.698 239 A CB 0.322 19.081 19.000 -0.402 0.000 0.842 239 A HN 0.503 nan 8.150 nan 0.000 0.458 240 I N -0.533 119.828 120.570 -0.347 0.000 2.569 240 I HA 0.445 4.615 4.170 -0.000 0.000 0.290 240 I C -0.080 175.932 176.117 -0.175 0.000 1.088 240 I CA -0.366 60.751 61.300 -0.305 0.000 1.047 240 I CB 1.257 38.972 38.000 -0.473 0.000 1.237 240 I HN 0.098 nan 8.210 nan 0.000 0.421 241 G N 6.432 115.190 108.800 -0.071 0.000 2.368 241 G HA2 0.661 4.621 3.960 -0.000 0.000 0.320 241 G HA3 0.661 4.621 3.960 -0.000 0.000 0.320 241 G C -0.501 174.349 174.900 -0.084 0.000 1.158 241 G CA -0.393 44.692 45.100 -0.024 0.000 0.912 241 G HN 0.478 nan 8.290 nan 0.000 0.456 242 I N 2.922 123.441 120.570 -0.084 0.000 2.308 242 I HA 0.088 4.258 4.170 -0.000 0.000 0.293 242 I C 0.013 176.091 176.117 -0.066 0.000 1.078 242 I CA -0.467 60.789 61.300 -0.073 0.000 1.292 242 I CB 1.312 39.300 38.000 -0.021 0.000 1.423 242 I HN 0.018 nan 8.210 nan 0.000 0.493 243 V N 5.836 125.665 119.914 -0.141 0.000 2.432 243 V HA 0.105 4.225 4.120 -0.000 0.000 0.271 243 V C 1.217 177.400 176.094 0.148 0.000 1.046 243 V CA -0.036 62.190 62.300 -0.124 0.000 0.945 243 V CB 0.996 32.571 31.823 -0.413 0.000 0.992 243 V HN 0.896 nan 8.190 nan 0.000 0.471 244 T N 0.533 115.195 114.554 0.181 0.000 2.990 244 T HA 0.503 4.853 4.350 -0.000 0.000 0.250 244 T C 0.667 175.423 174.700 0.093 0.000 1.041 244 T CA 0.443 62.661 62.100 0.198 0.000 1.010 244 T CB 0.677 69.621 68.868 0.127 0.000 1.003 244 T HN 1.033 nan 8.240 nan 0.000 0.499 245 G N 0.100 108.889 108.800 -0.018 0.000 2.495 245 G HA2 0.533 4.493 3.960 -0.000 0.000 0.294 245 G HA3 0.533 4.493 3.960 -0.000 0.000 0.294 245 G C -2.243 172.529 174.900 -0.214 0.000 1.397 245 G CA -0.518 44.367 45.100 -0.357 0.000 0.790 245 G HN 0.295 nan 8.290 nan 0.000 0.486 246 V N 0.737 120.499 119.914 -0.252 0.000 2.760 246 V HA 0.481 4.601 4.120 -0.000 0.000 0.309 246 V C 0.199 176.289 176.094 -0.005 0.000 1.077 246 V CA -0.860 61.436 62.300 -0.007 0.000 0.910 246 V CB 1.501 33.314 31.823 -0.015 0.000 1.008 246 V HN 1.134 nan 8.190 nan 0.000 0.424 247 Q N 3.691 123.558 119.800 0.112 0.000 2.492 247 Q HA 0.666 5.005 4.340 -0.000 0.000 0.238 247 Q C 0.086 176.146 176.000 0.100 0.000 1.045 247 Q CA -0.165 55.642 55.803 0.005 0.000 0.934 247 Q CB 1.017 29.776 28.738 0.035 0.000 1.276 247 Q HN 0.921 nan 8.270 nan 0.000 0.521 248 A N 1.835 124.689 122.820 0.055 0.000 2.340 248 A HA 0.538 4.858 4.320 -0.000 0.000 0.268 248 A C -1.011 176.709 177.584 0.227 0.000 1.100 248 A CA -0.398 51.676 52.037 0.061 0.000 0.803 248 A CB -0.045 18.953 19.000 -0.003 0.000 1.043 248 A HN 0.758 nan 8.150 nan 0.000 0.488 249 Y N -0.775 119.538 120.300 0.023 0.000 2.625 249 Y HA 0.729 5.279 4.550 -0.000 0.000 0.338 249 Y C -0.937 175.005 175.900 0.070 0.000 1.123 249 Y CA -1.298 56.858 58.100 0.094 0.000 1.046 249 Y CB 1.366 39.904 38.460 0.130 0.000 1.299 249 Y HN 0.664 nan 8.280 nan 0.000 0.464 250 N N 0.843 119.759 118.700 0.360 0.000 2.336 250 N HA 0.474 5.214 4.740 -0.000 0.000 0.290 250 N C -2.396 173.483 175.510 0.614 0.000 1.058 250 N CA -0.445 52.778 53.050 0.287 0.000 0.865 250 N CB 1.370 39.995 38.487 0.230 0.000 1.581 250 N HN 0.610 nan 8.380 nan 0.000 0.480 251 W N 2.117 123.535 121.300 0.197 0.000 2.529 251 W HA 0.536 5.196 4.660 -0.000 0.000 0.321 251 W C -0.292 176.319 176.519 0.153 0.000 1.047 251 W CA -0.552 56.904 57.345 0.184 0.000 1.216 251 W CB 1.268 30.824 29.460 0.159 0.000 1.357 251 W HN 0.401 nan 8.180 nan 0.000 0.489 252 Q N 1.526 121.538 119.800 0.353 0.000 2.451 252 Q HA 0.466 4.806 4.340 -0.000 0.000 0.281 252 Q C -1.023 175.058 176.000 0.136 0.000 1.099 252 Q CA -1.224 54.723 55.803 0.240 0.000 0.806 252 Q CB 3.770 32.669 28.738 0.269 0.000 1.419 252 Q HN 0.330 nan 8.270 nan 0.000 0.427 253 K N 1.349 121.796 120.400 0.077 0.000 2.358 253 K HA 0.500 4.820 4.320 -0.000 0.000 0.260 253 K C -1.488 175.056 176.600 -0.094 0.000 0.956 253 K CA -0.420 55.851 56.287 -0.026 0.000 0.834 253 K CB 1.434 33.937 32.500 0.004 0.000 1.102 253 K HN 0.336 nan 8.250 nan 0.000 0.431 254 V N 3.421 123.133 119.914 -0.336 0.000 2.472 254 V HA 0.373 4.493 4.120 -0.000 0.000 0.290 254 V C -0.467 175.396 176.094 -0.385 0.000 1.037 254 V CA -0.467 61.595 62.300 -0.396 0.000 0.908 254 V CB 1.898 33.263 31.823 -0.764 0.000 0.985 254 V HN 0.863 nan 8.190 nan 0.000 0.454 255 T N 4.212 118.667 114.554 -0.164 0.000 2.809 255 T HA 0.511 4.861 4.350 -0.000 0.000 0.284 255 T C -0.466 174.117 174.700 -0.194 0.000 0.992 255 T CA -0.384 61.601 62.100 -0.190 0.000 0.957 255 T CB 1.495 70.257 68.868 -0.178 0.000 0.942 255 T HN 0.311 nan 8.240 nan 0.000 0.439 256 V N 4.897 124.700 119.914 -0.184 0.000 2.394 256 V HA 0.316 4.436 4.120 -0.000 0.000 0.282 256 V C -0.135 175.835 176.094 -0.206 0.000 1.031 256 V CA -0.818 61.434 62.300 -0.080 0.000 0.881 256 V CB 0.718 32.561 31.823 0.034 0.000 0.982 256 V HN 0.828 nan 8.190 nan 0.000 0.451 257 H N 3.725 122.851 119.070 0.094 0.000 2.541 257 H HA 0.585 5.141 4.556 -0.000 0.000 0.316 257 H C 0.408 175.775 175.328 0.065 0.000 1.043 257 H CA 0.172 56.262 56.048 0.069 0.000 1.232 257 H CB 1.986 31.781 29.762 0.055 0.000 1.406 257 H HN 0.816 nan 8.280 nan 0.000 0.469 258 G N 1.609 110.501 108.800 0.153 0.000 3.175 258 G HA2 0.474 4.434 3.960 -0.000 0.000 0.153 258 G HA3 0.474 4.434 3.960 -0.000 0.000 0.153 258 G C -0.894 174.064 174.900 0.097 0.000 1.216 258 G CA -0.398 44.768 45.100 0.110 0.000 0.943 258 G HN 0.394 nan 8.290 nan 0.000 0.611 259 V N 0.427 120.383 119.914 0.070 0.000 2.569 259 V HA 0.614 4.733 4.120 -0.000 0.000 0.301 259 V C 0.581 176.701 176.094 0.043 0.000 1.044 259 V CA -0.479 61.855 62.300 0.056 0.000 0.874 259 V CB 1.277 33.128 31.823 0.046 0.000 1.002 259 V HN 0.983 nan 8.190 nan 0.000 0.424 260 G N 3.169 111.994 108.800 0.040 0.000 2.365 260 G HA2 0.611 4.571 3.960 -0.000 0.000 0.249 260 G HA3 0.611 4.571 3.960 -0.000 0.000 0.249 260 G C -0.095 174.817 174.900 0.020 0.000 1.288 260 G CA 0.710 45.825 45.100 0.026 0.000 0.887 260 G HN 1.299 nan 8.290 nan 0.000 0.524 261 A N 2.261 125.086 122.820 0.009 0.000 2.602 261 A HA 0.616 4.936 4.320 -0.000 0.000 0.290 261 A C -0.680 176.915 177.584 0.018 0.000 1.114 261 A CA -0.788 51.262 52.037 0.021 0.000 0.683 261 A CB 0.956 19.970 19.000 0.022 0.000 1.281 261 A HN 0.821 nan 8.150 nan 0.000 0.416 262 H N 1.062 120.107 119.070 -0.041 0.000 2.929 262 H HA 0.349 4.905 4.556 -0.000 0.000 0.317 262 H C 1.326 176.607 175.328 -0.079 0.000 1.031 262 H CA 0.833 56.850 56.048 -0.052 0.000 1.466 262 H CB 1.523 31.257 29.762 -0.047 0.000 1.482 262 H HN 0.735 nan 8.280 nan 0.000 0.561 263 A N 3.825 126.656 122.820 0.018 0.000 2.067 263 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 263 A C 2.208 179.829 177.584 0.062 0.000 1.158 263 A CA 1.237 53.273 52.037 -0.001 0.000 0.661 263 A CB -0.222 18.732 19.000 -0.077 0.000 0.801 263 A HN 0.775 nan 8.150 nan 0.000 0.452 264 G N -1.470 107.525 108.800 0.325 0.000 2.719 264 G HA2 0.147 4.107 3.960 -0.000 0.000 0.211 264 G HA3 0.147 4.107 3.960 -0.000 0.000 0.211 264 G C 1.268 176.116 174.900 -0.085 0.000 1.140 264 G CA 1.375 46.525 45.100 0.084 0.000 0.790 264 G HN 0.660 nan 8.290 nan 0.000 0.529 265 T N -2.691 111.783 114.554 -0.133 0.000 3.043 265 T HA 0.196 4.546 4.350 -0.000 0.000 0.272 265 T C 0.556 175.180 174.700 -0.127 0.000 0.990 265 T CA -0.006 61.977 62.100 -0.195 0.000 0.897 265 T CB 0.532 69.201 68.868 -0.332 0.000 1.111 265 T HN -0.054 nan 8.240 nan 0.000 0.529 266 T N 5.597 120.089 114.554 -0.103 0.000 2.727 266 T HA 0.466 4.816 4.350 -0.000 0.000 0.298 266 T C -2.562 172.031 174.700 -0.178 0.000 0.942 266 T CA -1.178 60.862 62.100 -0.100 0.000 0.997 266 T CB 1.251 70.080 68.868 -0.065 0.000 0.917 266 T HN 0.223 nan 8.240 nan 0.000 0.487 267 P HA 0.097 nan 4.420 nan 0.000 0.272 267 P C 0.285 177.522 177.300 -0.105 0.000 1.230 267 P CA -0.583 62.430 63.100 -0.145 0.000 0.788 267 P CB 1.035 32.715 31.700 -0.032 0.000 0.949 268 W N 1.592 122.898 121.300 0.009 0.000 2.304 268 W HA -0.232 4.428 4.660 -0.000 0.000 0.315 268 W C 2.670 179.195 176.519 0.011 0.000 1.233 268 W CA 1.487 58.838 57.345 0.009 0.000 1.261 268 W CB -0.810 28.654 29.460 0.006 0.000 1.150 268 W HN 0.441 nan 8.180 nan 0.000 0.494 269 R N 0.421 121.064 120.500 0.240 0.000 2.293 269 R HA -0.083 4.257 4.340 -0.000 0.000 0.219 269 R C 1.334 177.693 176.300 0.097 0.000 1.091 269 R CA 1.397 57.583 56.100 0.143 0.000 1.004 269 R CB -0.833 29.529 30.300 0.103 0.000 0.865 269 R HN 0.307 nan 8.270 nan 0.000 0.469 270 L N 0.067 121.337 121.223 0.078 0.000 2.766 270 L HA 0.289 4.629 4.340 -0.000 0.000 0.242 270 L C 0.500 177.400 176.870 0.050 0.000 1.136 270 L CA -0.416 54.454 54.840 0.050 0.000 0.933 270 L CB 0.279 42.353 42.059 0.024 0.000 1.241 270 L HN 0.024 nan 8.230 nan 0.000 0.522 271 R N 1.245 121.786 120.500 0.069 0.000 2.543 271 R HA 0.192 4.532 4.340 -0.000 0.000 0.277 271 R C -0.170 176.179 176.300 0.082 0.000 1.074 271 R CA 0.272 56.411 56.100 0.065 0.000 1.076 271 R CB 0.611 30.961 30.300 0.083 0.000 0.993 271 R HN -0.030 nan 8.270 nan 0.000 0.459 272 K N 1.971 122.410 120.400 0.066 0.000 2.753 272 K HA 0.084 4.404 4.320 -0.000 0.000 0.185 272 K C -1.230 175.410 176.600 0.067 0.000 1.071 272 K CA -0.350 55.980 56.287 0.071 0.000 0.999 272 K CB 0.858 33.398 32.500 0.067 0.000 1.244 272 K HN 0.407 nan 8.250 nan 0.000 0.594 273 D N 1.464 121.907 120.400 0.073 0.000 2.365 273 D HA 0.166 4.806 4.640 -0.000 0.000 0.237 273 D C 0.847 177.178 176.300 0.052 0.000 1.190 273 D CA -0.101 53.936 54.000 0.061 0.000 0.867 273 D CB 1.498 42.345 40.800 0.079 0.000 1.050 273 D HN 0.517 nan 8.370 nan 0.000 0.491 274 A N 4.053 126.900 122.820 0.046 0.000 2.015 274 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 274 A C 1.813 179.411 177.584 0.025 0.000 1.163 274 A CA 0.690 52.751 52.037 0.040 0.000 0.646 274 A CB -0.145 18.879 19.000 0.039 0.000 0.806 274 A HN 0.563 nan 8.150 nan 0.000 0.448 275 L N -1.099 120.134 121.223 0.017 0.000 2.162 275 L HA 0.093 4.433 4.340 -0.000 0.000 0.205 275 L C 2.100 178.955 176.870 -0.024 0.000 1.086 275 L CA 1.373 56.209 54.840 -0.006 0.000 0.778 275 L CB -0.553 41.503 42.059 -0.005 0.000 0.928 275 L HN 0.317 nan 8.230 nan 0.000 0.446 276 L N -0.621 120.604 121.223 0.005 0.000 2.012 276 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 276 L C 2.461 179.318 176.870 -0.022 0.000 1.073 276 L CA 2.331 57.175 54.840 0.008 0.000 0.748 276 L CB -0.669 41.426 42.059 0.061 0.000 0.891 276 L HN 0.431 nan 8.230 nan 0.000 0.431 277 M N -1.015 118.577 119.600 -0.013 0.000 2.086 277 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 277 M C 2.316 178.554 176.300 -0.103 0.000 1.067 277 M CA 2.117 57.396 55.300 -0.035 0.000 1.116 277 M CB -0.536 32.062 32.600 -0.003 0.000 1.348 277 M HN 0.282 nan 8.290 nan 0.000 0.407 278 S N -0.164 115.470 115.700 -0.110 0.000 2.368 278 S HA -0.124 4.346 4.470 -0.000 0.000 0.225 278 S C 1.937 176.300 174.600 -0.394 0.000 1.030 278 S CA 1.524 59.567 58.200 -0.261 0.000 0.999 278 S CB -0.491 62.596 63.200 -0.188 0.000 0.844 278 S HN 0.603 nan 8.310 nan 0.000 0.459 279 S N 1.473 117.033 115.700 -0.233 0.000 2.370 279 S HA -0.095 4.374 4.470 -0.000 0.000 0.226 279 S C 1.832 176.337 174.600 -0.158 0.000 1.033 279 S CA 1.133 59.219 58.200 -0.191 0.000 1.011 279 S CB -0.201 62.934 63.200 -0.109 0.000 0.852 279 S HN 0.469 nan 8.310 nan 0.000 0.457 280 K N 0.748 121.073 120.400 -0.125 0.000 2.057 280 K HA 0.027 4.347 4.320 -0.000 0.000 0.207 280 K C 2.210 178.755 176.600 -0.091 0.000 1.049 280 K CA 1.277 57.514 56.287 -0.085 0.000 0.931 280 K CB -0.239 32.227 32.500 -0.055 0.000 0.714 280 K HN 0.330 nan 8.250 nan 0.000 0.440 281 M N 0.368 119.861 119.600 -0.179 0.000 2.117 281 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 281 M C 2.137 178.367 176.300 -0.116 0.000 1.065 281 M CA 1.563 56.737 55.300 -0.209 0.000 1.114 281 M CB -0.319 31.919 32.600 -0.604 0.000 1.361 281 M HN 0.119 nan 8.290 nan 0.000 0.408 282 I N -0.546 119.869 120.570 -0.257 0.000 2.179 282 I HA -0.263 3.906 4.170 -0.000 0.000 0.242 282 I C 2.314 178.410 176.117 -0.034 0.000 1.088 282 I CA 1.108 62.327 61.300 -0.134 0.000 1.357 282 I CB -0.361 37.515 38.000 -0.206 0.000 1.051 282 I HN 0.069 nan 8.210 nan 0.000 0.409 283 V N 0.987 120.874 119.914 -0.045 0.000 2.343 283 V HA -0.307 3.812 4.120 -0.000 0.000 0.247 283 V C 2.689 178.780 176.094 -0.006 0.000 1.051 283 V CA 2.042 64.336 62.300 -0.011 0.000 1.036 283 V CB -0.996 30.815 31.823 -0.020 0.000 0.654 283 V HN 0.502 nan 8.190 nan 0.000 0.451 284 A N -0.028 122.795 122.820 0.006 0.000 1.877 284 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 284 A C 2.433 180.016 177.584 -0.001 0.000 1.186 284 A CA 2.090 54.149 52.037 0.035 0.000 0.620 284 A CB -0.841 18.222 19.000 0.105 0.000 0.822 284 A HN 0.574 nan 8.150 nan 0.000 0.443 285 A N -0.951 121.828 122.820 -0.069 0.000 1.933 285 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 285 A C 2.469 179.846 177.584 -0.346 0.000 1.175 285 A CA 2.172 54.020 52.037 -0.315 0.000 0.628 285 A CB -0.919 17.558 19.000 -0.873 0.000 0.814 285 A HN 0.527 nan 8.150 nan 0.000 0.444 286 S N -0.625 114.951 115.700 -0.207 0.000 2.368 286 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 286 S C 1.897 176.558 174.600 0.102 0.000 1.030 286 S CA 1.646 59.910 58.200 0.107 0.000 0.999 286 S CB -0.317 62.989 63.200 0.177 0.000 0.844 286 S HN 0.684 nan 8.310 nan 0.000 0.459 287 E N 0.297 120.530 120.200 0.055 0.000 2.106 287 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 287 E C 2.014 178.659 176.600 0.075 0.000 0.984 287 E CA 1.152 57.585 56.400 0.056 0.000 0.806 287 E CB -0.192 29.526 29.700 0.030 0.000 0.750 287 E HN 0.539 nan 8.360 nan 0.000 0.458 288 I N 1.337 121.958 120.570 0.085 0.000 2.179 288 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 288 I C 2.568 178.837 176.117 0.254 0.000 1.088 288 I CA 1.086 62.469 61.300 0.139 0.000 1.357 288 I CB -0.304 37.744 38.000 0.079 0.000 1.051 288 I HN 0.084 nan 8.210 nan 0.000 0.409 289 A N -0.145 122.846 122.820 0.285 0.000 1.877 289 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 289 A C 2.294 180.040 177.584 0.270 0.000 1.186 289 A CA 1.679 53.928 52.037 0.355 0.000 0.620 289 A CB -0.708 18.557 19.000 0.443 0.000 0.822 289 A HN 0.459 nan 8.150 nan 0.000 0.443 290 Q N -1.153 118.762 119.800 0.191 0.000 2.124 290 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 290 Q C 2.372 178.428 176.000 0.093 0.000 0.977 290 Q CA 1.660 57.541 55.803 0.131 0.000 0.850 290 Q CB -0.144 28.649 28.738 0.092 0.000 0.901 290 Q HN 0.687 nan 8.270 nan 0.000 0.429 291 R N -0.377 120.157 120.500 0.056 0.000 2.105 291 R HA -0.153 4.187 4.340 -0.000 0.000 0.239 291 R C 1.332 177.549 176.300 -0.138 0.000 1.135 291 R CA 1.376 57.434 56.100 -0.070 0.000 0.967 291 R CB 0.025 30.235 30.300 -0.149 0.000 0.861 291 R HN 0.369 nan 8.270 nan 0.000 0.442 292 H N 0.185 119.306 119.070 0.085 0.000 2.529 292 H HA 0.145 4.701 4.556 -0.000 0.000 0.277 292 H C -0.026 175.430 175.328 0.214 0.000 1.004 292 H CA 0.145 56.253 56.048 0.100 0.000 1.167 292 H CB 0.332 30.121 29.762 0.045 0.000 1.445 292 H HN 0.308 nan 8.280 nan 0.000 0.554 293 N N 0.608 119.456 118.700 0.248 0.000 2.725 293 N HA -0.132 4.608 4.740 -0.000 0.000 0.249 293 N C 0.735 176.371 175.510 0.209 0.000 1.103 293 N CA 0.926 54.097 53.050 0.203 0.000 0.707 293 N CB -1.204 37.380 38.487 0.162 0.000 1.043 293 N HN 0.499 nan 8.380 nan 0.000 0.553 294 G N -0.588 108.411 108.800 0.331 0.000 2.795 294 G HA2 0.804 4.764 3.960 -0.000 0.000 0.267 294 G HA3 0.804 4.764 3.960 -0.000 0.000 0.267 294 G C -0.183 174.872 174.900 0.257 0.000 1.362 294 G CA -0.626 44.667 45.100 0.322 0.000 1.048 294 G HN 0.095 nan 8.290 nan 0.000 0.547 295 L N -0.736 120.655 121.223 0.280 0.000 2.370 295 L HA 0.659 4.999 4.340 -0.000 0.000 0.266 295 L C -1.390 175.660 176.870 0.300 0.000 1.002 295 L CA -0.766 54.212 54.840 0.231 0.000 0.818 295 L CB 2.524 44.665 42.059 0.137 0.000 1.325 295 L HN 0.518 nan 8.230 nan 0.000 0.418 296 F N 0.618 120.581 119.950 0.021 0.000 2.581 296 F HA 0.712 5.239 4.527 -0.000 0.000 0.311 296 F C -1.061 174.642 175.800 -0.161 0.000 1.113 296 F CA -0.068 57.818 58.000 -0.191 0.000 0.935 296 F CB 2.271 41.070 39.000 -0.336 0.000 1.232 296 F HN 0.330 nan 8.300 nan 0.000 0.445 297 T N 4.689 118.459 114.554 -1.306 0.000 2.952 297 T HA 0.343 4.693 4.350 -0.000 0.000 0.305 297 T C -1.721 172.259 174.700 -1.200 0.000 1.064 297 T CA -0.569 60.925 62.100 -1.010 0.000 1.008 297 T CB 1.229 69.806 68.868 -0.485 0.000 1.078 297 T HN 0.792 nan 8.240 nan 0.000 0.459 298 C N 2.697 121.530 119.300 -0.779 0.000 2.271 298 C HA 0.765 5.225 4.460 -0.000 0.000 0.323 298 C C 1.505 176.349 174.990 -0.244 0.000 1.245 298 C CA -0.096 58.696 59.018 -0.376 0.000 1.548 298 C CB -0.963 26.713 27.740 -0.106 0.000 2.214 298 C HN 1.139 nan 8.230 nan 0.000 0.477 299 G N 4.858 113.520 108.800 -0.229 0.000 3.044 299 G HA2 0.304 4.264 3.960 -0.000 0.000 0.223 299 G HA3 0.304 4.264 3.960 -0.000 0.000 0.223 299 G C 0.188 175.013 174.900 -0.126 0.000 1.123 299 G CA 0.164 45.154 45.100 -0.183 0.000 0.765 299 G HN 0.679 nan 8.290 nan 0.000 0.546 300 I N 0.680 121.197 120.570 -0.089 0.000 2.533 300 I HA 0.555 4.725 4.170 -0.000 0.000 0.290 300 I C -1.504 174.631 176.117 0.031 0.000 1.056 300 I CA -0.844 60.430 61.300 -0.042 0.000 1.057 300 I CB 2.632 40.596 38.000 -0.060 0.000 1.240 300 I HN -0.078 nan 8.210 nan 0.000 0.423 301 I N 5.618 126.208 120.570 0.034 0.000 2.692 301 I HA 0.427 4.597 4.170 -0.000 0.000 0.293 301 I C -1.982 174.173 176.117 0.062 0.000 1.200 301 I CA -0.165 61.183 61.300 0.080 0.000 1.036 301 I CB 2.209 40.238 38.000 0.049 0.000 1.258 301 I HN 0.493 nan 8.210 nan 0.000 0.421 302 D N 7.043 127.491 120.400 0.079 0.000 2.936 302 D HA 0.531 5.170 4.640 -0.000 0.000 0.238 302 D C -1.122 175.232 176.300 0.090 0.000 1.248 302 D CA -0.310 53.732 54.000 0.071 0.000 0.903 302 D CB 2.424 43.243 40.800 0.030 0.000 1.544 302 D HN 0.573 nan 8.370 nan 0.000 0.543 303 A N 2.385 125.285 122.820 0.132 0.000 2.324 303 A HA 0.642 4.962 4.320 -0.000 0.000 0.330 303 A C -0.268 177.410 177.584 0.156 0.000 1.165 303 A CA -0.572 51.540 52.037 0.126 0.000 0.813 303 A CB 1.245 20.309 19.000 0.106 0.000 1.197 303 A HN 0.396 nan 8.150 nan 0.000 0.484 304 K N 2.224 122.686 120.400 0.104 0.000 2.318 304 K HA 0.491 4.811 4.320 -0.000 0.000 0.249 304 K C -2.310 174.337 176.600 0.079 0.000 0.942 304 K CA -1.762 54.585 56.287 0.100 0.000 0.808 304 K CB 2.322 34.865 32.500 0.071 0.000 1.189 304 K HN 0.362 nan 8.250 nan 0.000 0.428 305 P HA -0.017 nan 4.420 nan 0.000 0.255 305 P C -0.956 176.448 177.300 0.173 0.000 1.248 305 P CA -0.049 63.107 63.100 0.093 0.000 0.807 305 P CB -0.036 31.698 31.700 0.057 0.000 1.150 306 Y N -0.447 119.848 120.300 -0.009 0.000 2.959 306 Y HA -0.150 4.399 4.550 -0.000 0.000 0.103 306 Y C -0.806 175.082 175.900 -0.020 0.000 2.060 306 Y CA 0.520 58.612 58.100 -0.013 0.000 1.016 306 Y CB -1.755 36.700 38.460 -0.008 0.000 1.656 306 Y HN 0.116 nan 8.280 nan 0.000 0.329 307 S N 2.217 117.831 115.700 -0.143 0.000 2.537 307 S HA 0.572 5.042 4.470 -0.000 0.000 0.271 307 S C 0.270 174.760 174.600 -0.184 0.000 1.148 307 S CA -0.322 57.792 58.200 -0.142 0.000 0.868 307 S CB 1.472 64.628 63.200 -0.072 0.000 1.115 307 S HN 0.468 nan 8.310 nan 0.000 0.461 308 V N 3.109 122.923 119.914 -0.167 0.000 2.392 308 V HA -0.132 3.988 4.120 -0.000 0.000 0.249 308 V C 1.566 177.583 176.094 -0.129 0.000 1.059 308 V CA 2.320 64.532 62.300 -0.146 0.000 1.051 308 V CB -0.812 30.945 31.823 -0.110 0.000 0.658 308 V HN 0.905 nan 8.190 nan 0.000 0.455 309 N N -0.348 118.265 118.700 -0.144 0.000 2.321 309 N HA 0.232 4.971 4.740 -0.000 0.000 0.242 309 N C -0.394 174.970 175.510 -0.243 0.000 1.141 309 N CA -0.011 52.926 53.050 -0.188 0.000 0.864 309 N CB -0.069 38.288 38.487 -0.216 0.000 1.100 309 N HN 0.451 nan 8.380 nan 0.000 0.510 310 I N 0.840 121.313 120.570 -0.162 0.000 2.418 310 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 310 I C -0.035 176.035 176.117 -0.079 0.000 1.008 310 I CA -1.080 60.145 61.300 -0.124 0.000 1.104 310 I CB 1.942 39.890 38.000 -0.086 0.000 1.264 310 I HN -0.139 nan 8.210 nan 0.000 0.438 311 I N 8.202 128.736 120.570 -0.060 0.000 2.752 311 I HA -0.005 4.164 4.170 -0.000 0.000 0.286 311 I C -1.995 174.116 176.117 -0.010 0.000 1.180 311 I CA -1.065 60.216 61.300 -0.033 0.000 1.404 311 I CB -0.156 37.830 38.000 -0.024 0.000 1.389 311 I HN 0.225 nan 8.210 nan 0.000 0.549 312 P HA -0.011 nan 4.420 nan 0.000 0.263 312 P C 0.766 178.087 177.300 0.034 0.000 1.195 312 P CA 0.252 63.364 63.100 0.019 0.000 0.762 312 P CB 0.773 32.485 31.700 0.021 0.000 0.799 313 G N 2.406 111.233 108.800 0.045 0.000 2.744 313 G HA2 -0.002 3.957 3.960 -0.000 0.000 0.211 313 G HA3 -0.002 3.957 3.960 -0.000 0.000 0.211 313 G C 0.113 175.060 174.900 0.079 0.000 1.146 313 G CA 0.250 45.388 45.100 0.063 0.000 0.787 313 G HN 0.546 nan 8.290 nan 0.000 0.534 314 E N -0.217 120.017 120.200 0.057 0.000 2.311 314 E HA 0.481 4.830 4.350 -0.000 0.000 0.281 314 E C -1.919 174.689 176.600 0.013 0.000 0.905 314 E CA -0.478 55.934 56.400 0.020 0.000 0.778 314 E CB 2.609 32.341 29.700 0.053 0.000 1.240 314 E HN -0.100 nan 8.360 nan 0.000 0.410 315 V N 2.640 122.547 119.914 -0.011 0.000 2.638 315 V HA 0.459 4.579 4.120 -0.000 0.000 0.306 315 V C -0.565 175.555 176.094 0.043 0.000 1.052 315 V CA -0.713 61.616 62.300 0.048 0.000 0.885 315 V CB 2.089 33.965 31.823 0.089 0.000 0.999 315 V HN 0.637 nan 8.190 nan 0.000 0.424 316 S N 4.848 120.583 115.700 0.057 0.000 2.472 316 S HA 0.896 5.366 4.470 -0.000 0.000 0.303 316 S C -0.818 173.856 174.600 0.123 0.000 1.099 316 S CA -0.471 57.734 58.200 0.008 0.000 1.077 316 S CB 1.151 64.341 63.200 -0.018 0.000 1.031 316 S HN 0.675 nan 8.310 nan 0.000 0.487 317 F N -0.464 119.474 119.950 -0.020 0.000 2.631 317 F HA 0.782 5.309 4.527 -0.000 0.000 0.308 317 F C -0.170 175.631 175.800 0.002 0.000 1.097 317 F CA -1.058 56.929 58.000 -0.020 0.000 0.952 317 F CB 0.722 39.707 39.000 -0.025 0.000 1.307 317 F HN 0.461 nan 8.300 nan 0.000 0.450 318 T N 0.684 115.315 114.554 0.129 0.000 2.928 318 T HA 0.786 5.136 4.350 -0.000 0.000 0.284 318 T C -0.988 173.778 174.700 0.110 0.000 1.008 318 T CA -0.676 61.438 62.100 0.023 0.000 1.057 318 T CB 1.600 70.415 68.868 -0.088 0.000 1.018 318 T HN 0.635 nan 8.240 nan 0.000 0.493 319 L N 2.406 123.689 121.223 0.100 0.000 2.376 319 L HA 0.493 4.833 4.340 -0.000 0.000 0.275 319 L C -0.485 176.401 176.870 0.026 0.000 0.987 319 L CA -0.499 54.450 54.840 0.180 0.000 0.828 319 L CB 1.872 44.239 42.059 0.514 0.000 1.249 319 L HN 0.751 nan 8.230 nan 0.000 0.409 320 D N 3.300 123.542 120.400 -0.264 0.000 2.461 320 D HA 0.329 4.969 4.640 -0.000 0.000 0.240 320 D C -1.298 174.994 176.300 -0.012 0.000 1.094 320 D CA -0.161 53.774 54.000 -0.109 0.000 0.868 320 D CB 0.533 41.109 40.800 -0.373 0.000 1.062 320 D HN 0.174 nan 8.370 nan 0.000 0.530 321 F N 2.959 123.123 119.950 0.357 0.000 2.443 321 F HA 0.526 5.053 4.527 -0.000 0.000 0.335 321 F C 0.910 176.897 175.800 0.311 0.000 1.104 321 F CA -0.673 57.534 58.000 0.345 0.000 1.013 321 F CB 1.443 40.625 39.000 0.303 0.000 1.136 321 F HN -0.004 nan 8.300 nan 0.000 0.470 322 R N 2.373 123.159 120.500 0.477 0.000 2.698 322 R HA 0.474 4.814 4.340 -0.000 0.000 0.275 322 R C -1.670 174.827 176.300 0.328 0.000 1.001 322 R CA -1.054 55.264 56.100 0.363 0.000 0.896 322 R CB 2.743 33.208 30.300 0.275 0.000 1.218 322 R HN 0.647 nan 8.270 nan 0.000 0.462 323 H N 2.427 121.580 119.070 0.138 0.000 3.085 323 H HA 0.157 4.713 4.556 -0.000 0.000 0.356 323 H C -2.243 173.042 175.328 -0.072 0.000 1.178 323 H CA -1.581 54.495 56.048 0.048 0.000 1.214 323 H CB 2.898 32.675 29.762 0.024 0.000 1.881 323 H HN 0.279 nan 8.280 nan 0.000 0.538 324 P HA -0.120 nan 4.420 nan 0.000 0.221 324 P C 0.523 177.732 177.300 -0.152 0.000 1.145 324 P CA 0.798 63.618 63.100 -0.466 0.000 0.795 324 P CB 0.430 31.567 31.700 -0.938 0.000 0.775 325 S N -0.201 115.623 115.700 0.207 0.000 2.442 325 S HA 0.207 4.676 4.470 -0.000 0.000 0.297 325 S C 0.947 175.534 174.600 -0.021 0.000 1.131 325 S CA -0.709 57.521 58.200 0.050 0.000 1.092 325 S CB 0.532 63.747 63.200 0.025 0.000 0.998 325 S HN -0.195 nan 8.310 nan 0.000 0.478 326 D N 3.660 124.019 120.400 -0.067 0.000 2.123 326 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 326 D C 0.990 177.224 176.300 -0.111 0.000 0.992 326 D CA 1.491 55.441 54.000 -0.083 0.000 0.833 326 D CB -0.030 40.717 40.800 -0.088 0.000 0.954 326 D HN 0.653 nan 8.370 nan 0.000 0.455 327 D N -0.088 120.238 120.400 -0.122 0.000 2.117 327 D HA -0.084 4.555 4.640 -0.000 0.000 0.198 327 D C 2.310 178.485 176.300 -0.208 0.000 0.982 327 D CA 0.372 54.288 54.000 -0.141 0.000 0.828 327 D CB -0.219 40.513 40.800 -0.114 0.000 0.967 327 D HN 0.074 nan 8.370 nan 0.000 0.464 328 V N 0.985 120.722 119.914 -0.295 0.000 2.427 328 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 328 V C 2.432 178.255 176.094 -0.452 0.000 1.051 328 V CA 0.860 62.873 62.300 -0.479 0.000 1.048 328 V CB -0.432 30.840 31.823 -0.918 0.000 0.666 328 V HN 0.131 nan 8.190 nan 0.000 0.456 329 L N 1.162 122.208 121.223 -0.295 0.000 2.042 329 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 329 L C 2.467 179.202 176.870 -0.224 0.000 1.076 329 L CA 2.403 57.144 54.840 -0.165 0.000 0.749 329 L CB -0.871 41.173 42.059 -0.025 0.000 0.893 329 L HN 0.223 nan 8.230 nan 0.000 0.432 330 A N -1.677 121.023 122.820 -0.201 0.000 1.933 330 A HA -0.199 4.120 4.320 -0.000 0.000 0.218 330 A C 2.248 179.687 177.584 -0.241 0.000 1.175 330 A CA 2.261 54.184 52.037 -0.190 0.000 0.628 330 A CB -1.183 17.730 19.000 -0.145 0.000 0.814 330 A HN 0.534 nan 8.150 nan 0.000 0.444 331 T N 0.021 114.401 114.554 -0.290 0.000 2.777 331 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 331 T C 1.941 176.371 174.700 -0.450 0.000 1.040 331 T CA 1.759 63.658 62.100 -0.336 0.000 1.141 331 T CB -0.320 68.334 68.868 -0.355 0.000 0.868 331 T HN 0.445 nan 8.240 nan 0.000 0.444 332 M N 0.501 119.764 119.600 -0.562 0.000 2.080 332 M HA -0.044 4.436 4.480 -0.000 0.000 0.260 332 M C 2.191 178.118 176.300 -0.623 0.000 1.068 332 M CA 1.653 56.613 55.300 -0.567 0.000 1.109 332 M CB -0.600 31.723 32.600 -0.461 0.000 1.342 332 M HN 0.177 nan 8.290 nan 0.000 0.405 333 L N -0.514 120.360 121.223 -0.582 0.000 2.093 333 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 333 L C 2.577 179.230 176.870 -0.363 0.000 1.085 333 L CA 1.197 55.713 54.840 -0.540 0.000 0.755 333 L CB -0.583 41.276 42.059 -0.334 0.000 0.904 333 L HN 0.298 nan 8.230 nan 0.000 0.435 334 K N 0.257 120.488 120.400 -0.282 0.000 2.057 334 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 334 K C 1.943 178.423 176.600 -0.200 0.000 1.050 334 K CA 1.344 57.513 56.287 -0.197 0.000 0.935 334 K CB 0.092 32.499 32.500 -0.155 0.000 0.715 334 K HN 0.343 nan 8.250 nan 0.000 0.439 335 E N -0.100 119.963 120.200 -0.228 0.000 2.106 335 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 335 E C 1.923 178.372 176.600 -0.252 0.000 0.984 335 E CA 0.859 57.152 56.400 -0.179 0.000 0.806 335 E CB -0.033 29.602 29.700 -0.109 0.000 0.750 335 E HN 0.351 nan 8.360 nan 0.000 0.458 336 A N 1.674 124.256 122.820 -0.398 0.000 1.877 336 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 336 A C 2.420 179.483 177.584 -0.868 0.000 1.186 336 A CA 1.698 53.342 52.037 -0.656 0.000 0.620 336 A CB -0.624 17.964 19.000 -0.686 0.000 0.822 336 A HN 0.288 nan 8.150 nan 0.000 0.443 337 A N -0.199 122.322 122.820 -0.498 0.000 1.933 337 A HA 0.163 4.482 4.320 -0.000 0.000 0.218 337 A C 2.489 180.040 177.584 -0.055 0.000 1.175 337 A CA 2.081 53.992 52.037 -0.209 0.000 0.628 337 A CB -0.968 18.006 19.000 -0.044 0.000 0.814 337 A HN 1.052 nan 8.150 nan 0.000 0.444 338 A N -0.367 122.399 122.820 -0.090 0.000 1.902 338 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 338 A C 1.988 179.577 177.584 0.009 0.000 1.181 338 A CA 2.120 54.145 52.037 -0.020 0.000 0.623 338 A CB -0.431 18.545 19.000 -0.039 0.000 0.818 338 A HN 0.516 nan 8.150 nan 0.000 0.443 339 E N -0.560 119.610 120.200 -0.050 0.000 2.106 339 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 339 E C 1.565 178.279 176.600 0.189 0.000 0.984 339 E CA 1.108 57.525 56.400 0.029 0.000 0.806 339 E CB -0.419 29.272 29.700 -0.016 0.000 0.750 339 E HN 0.493 nan 8.360 nan 0.000 0.458 340 F N 1.364 121.297 119.950 -0.029 0.000 2.134 340 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 340 F C 1.945 177.771 175.800 0.044 0.000 1.097 340 F CA 1.243 59.178 58.000 -0.109 0.000 1.264 340 F CB -1.043 37.724 39.000 -0.388 0.000 1.001 340 F HN 0.114 nan 8.300 nan 0.000 0.479 341 D N -0.388 120.218 120.400 0.343 0.000 2.178 341 D HA -0.139 4.501 4.640 -0.000 0.000 0.201 341 D C 2.439 178.849 176.300 0.183 0.000 0.980 341 D CA 0.767 54.944 54.000 0.296 0.000 0.842 341 D CB -0.293 40.635 40.800 0.214 0.000 0.948 341 D HN 0.217 nan 8.370 nan 0.000 0.472 342 R N 0.252 120.837 120.500 0.140 0.000 2.062 342 R HA 0.013 4.353 4.340 -0.000 0.000 0.229 342 R C 2.430 178.786 176.300 0.095 0.000 1.128 342 R CA 0.542 56.701 56.100 0.097 0.000 0.960 342 R CB -0.240 30.102 30.300 0.070 0.000 0.855 342 R HN 0.144 nan 8.270 nan 0.000 0.432 343 L N 0.458 121.745 121.223 0.107 0.000 2.083 343 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 343 L C 2.408 179.324 176.870 0.076 0.000 1.083 343 L CA 0.705 55.592 54.840 0.077 0.000 0.752 343 L CB -0.301 41.798 42.059 0.067 0.000 0.899 343 L HN 0.239 nan 8.230 nan 0.000 0.433 344 I N -0.168 120.469 120.570 0.112 0.000 2.567 344 I HA -0.254 3.916 4.170 -0.000 0.000 0.257 344 I C 2.171 178.354 176.117 0.110 0.000 1.184 344 I CA 1.575 62.953 61.300 0.130 0.000 1.451 344 I CB -0.172 37.974 38.000 0.243 0.000 1.089 344 I HN 0.106 nan 8.210 nan 0.000 0.441 345 K N -0.280 120.177 120.400 0.096 0.000 2.356 345 K HA 0.235 4.554 4.320 -0.000 0.000 0.195 345 K C 0.419 177.054 176.600 0.058 0.000 1.037 345 K CA 0.222 56.554 56.287 0.075 0.000 1.014 345 K CB 0.311 32.853 32.500 0.070 0.000 0.815 345 K HN 0.223 nan 8.250 nan 0.000 0.507 346 I N 2.468 123.070 120.570 0.054 0.000 2.260 346 I HA 0.061 4.231 4.170 -0.000 0.000 0.297 346 I C -0.735 175.405 176.117 0.039 0.000 1.143 346 I CA -0.354 60.969 61.300 0.039 0.000 1.271 346 I CB -0.104 37.913 38.000 0.029 0.000 1.461 346 I HN 0.045 nan 8.210 nan 0.000 0.530 347 N N 3.487 122.214 118.700 0.044 0.000 2.777 347 N HA 0.121 4.861 4.740 -0.000 0.000 0.260 347 N C 0.044 175.587 175.510 0.055 0.000 1.113 347 N CA -0.324 52.758 53.050 0.054 0.000 0.996 347 N CB 1.257 39.783 38.487 0.065 0.000 1.584 347 N HN 0.192 nan 8.380 nan 0.000 0.573 348 D N 1.800 122.235 120.400 0.060 0.000 2.149 348 D HA -0.046 4.594 4.640 -0.000 0.000 0.198 348 D C 1.691 178.029 176.300 0.064 0.000 0.990 348 D CA 1.742 55.778 54.000 0.060 0.000 0.839 348 D CB -0.131 40.713 40.800 0.072 0.000 0.948 348 D HN 0.734 nan 8.370 nan 0.000 0.460 349 G N -0.994 107.852 108.800 0.077 0.000 2.776 349 G HA2 0.323 4.282 3.960 -0.000 0.000 0.209 349 G HA3 0.323 4.282 3.960 -0.000 0.000 0.209 349 G C 0.696 175.630 174.900 0.057 0.000 1.145 349 G CA 0.627 45.768 45.100 0.068 0.000 0.791 349 G HN 0.594 nan 8.290 nan 0.000 0.530 350 G N -1.790 107.043 108.800 0.055 0.000 2.539 350 G HA2 0.450 4.410 3.960 -0.000 0.000 0.686 350 G HA3 0.450 4.410 3.960 -0.000 0.000 0.686 350 G C -0.115 174.819 174.900 0.058 0.000 1.258 350 G CA -0.418 44.712 45.100 0.050 0.000 0.846 350 G HN 1.223 nan 8.290 nan 0.000 0.647 351 A N 0.440 123.294 122.820 0.056 0.000 2.511 351 A HA 0.616 4.936 4.320 -0.000 0.000 0.242 351 A C 0.790 178.421 177.584 0.078 0.000 1.069 351 A CA 0.479 52.556 52.037 0.067 0.000 0.763 351 A CB 0.267 19.305 19.000 0.064 0.000 1.001 351 A HN 1.389 nan 8.150 nan 0.000 0.498 352 L N 1.585 122.865 121.223 0.094 0.000 2.543 352 L HA 0.565 4.905 4.340 -0.000 0.000 0.231 352 L C 1.133 178.085 176.870 0.137 0.000 1.194 352 L CA 0.758 55.666 54.840 0.114 0.000 0.823 352 L CB 0.881 43.010 42.059 0.116 0.000 1.374 352 L HN 0.918 nan 8.230 nan 0.000 0.507 353 S N -1.339 114.466 115.700 0.174 0.000 2.627 353 S HA 0.797 5.267 4.470 -0.000 0.000 0.283 353 S C -1.228 173.542 174.600 0.283 0.000 1.127 353 S CA -0.670 57.642 58.200 0.187 0.000 0.863 353 S CB 1.816 65.088 63.200 0.120 0.000 1.121 353 S HN 0.545 nan 8.310 nan 0.000 0.479 354 Y N -0.833 119.538 120.300 0.118 0.000 2.588 354 Y HA 0.817 5.367 4.550 -0.000 0.000 0.343 354 Y C -1.047 174.915 175.900 0.103 0.000 1.065 354 Y CA -0.953 57.200 58.100 0.087 0.000 1.038 354 Y CB 1.201 39.675 38.460 0.022 0.000 1.297 354 Y HN 0.961 nan 8.280 nan 0.000 0.467 355 E N 1.464 121.729 120.200 0.109 0.000 2.312 355 E HA 0.683 5.033 4.350 -0.000 0.000 0.267 355 E C -1.524 175.168 176.600 0.153 0.000 0.894 355 E CA -1.214 55.200 56.400 0.023 0.000 0.773 355 E CB 2.362 32.109 29.700 0.077 0.000 1.241 355 E HN 0.566 nan 8.360 nan 0.000 0.432 356 S N 0.434 116.205 115.700 0.119 0.000 2.526 356 S HA 0.282 4.752 4.470 -0.000 0.000 0.293 356 S C -1.366 173.293 174.600 0.097 0.000 1.092 356 S CA -0.680 57.612 58.200 0.154 0.000 0.980 356 S CB 1.420 64.769 63.200 0.249 0.000 1.048 356 S HN 0.577 nan 8.310 nan 0.000 0.483 357 E N 2.459 122.713 120.200 0.090 0.000 2.224 357 E HA 0.374 4.724 4.350 -0.000 0.000 0.265 357 E C -1.138 175.526 176.600 0.107 0.000 0.878 357 E CA -0.533 55.917 56.400 0.084 0.000 0.759 357 E CB 1.384 31.128 29.700 0.072 0.000 1.164 357 E HN 0.537 nan 8.360 nan 0.000 0.414 358 T N 5.273 119.889 114.554 0.103 0.000 2.814 358 T HA 0.171 4.521 4.350 -0.000 0.000 0.297 358 T C 1.240 176.016 174.700 0.127 0.000 0.956 358 T CA -0.033 62.139 62.100 0.120 0.000 1.123 358 T CB 0.555 69.475 68.868 0.086 0.000 0.902 358 T HN 0.486 nan 8.240 nan 0.000 0.528 359 L N 1.942 123.274 121.223 0.182 0.000 2.316 359 L HA 0.311 4.651 4.340 -0.000 0.000 0.207 359 L C 1.075 178.034 176.870 0.149 0.000 1.070 359 L CA 0.472 55.435 54.840 0.206 0.000 0.820 359 L CB 0.188 42.440 42.059 0.321 0.000 0.992 359 L HN 0.554 nan 8.230 nan 0.000 0.466 360 Q N 0.056 119.925 119.800 0.115 0.000 2.352 360 Q HA 0.404 4.744 4.340 -0.000 0.000 0.270 360 Q C -1.888 174.036 176.000 -0.128 0.000 1.006 360 Q CA -0.316 55.438 55.803 -0.081 0.000 0.880 360 Q CB 3.008 31.556 28.738 -0.317 0.000 1.392 360 Q HN -0.150 nan 8.270 nan 0.000 0.401 361 V N 2.463 122.273 119.914 -0.173 0.000 2.384 361 V HA 0.518 4.638 4.120 -0.000 0.000 0.287 361 V C -0.542 175.347 176.094 -0.342 0.000 1.020 361 V CA -0.418 61.761 62.300 -0.202 0.000 0.850 361 V CB 1.553 33.305 31.823 -0.117 0.000 0.987 361 V HN 0.683 nan 8.190 nan 0.000 0.436 362 S N 7.179 122.570 115.700 -0.516 0.000 2.542 362 S HA 0.540 5.010 4.470 -0.000 0.000 0.245 362 S C -2.569 171.788 174.600 -0.406 0.000 1.325 362 S CA -1.347 56.481 58.200 -0.619 0.000 1.176 362 S CB 1.067 63.481 63.200 -1.311 0.000 1.045 362 S HN 0.523 nan 8.310 nan 0.000 0.481 363 P HA 0.188 nan 4.420 nan 0.000 0.269 363 P C -0.522 176.686 177.300 -0.153 0.000 1.217 363 P CA -0.186 62.812 63.100 -0.171 0.000 0.783 363 P CB 0.381 31.993 31.700 -0.147 0.000 0.898 364 A N 1.930 124.675 122.820 -0.124 0.000 2.531 364 A HA 0.272 4.592 4.320 -0.000 0.000 0.236 364 A C -0.151 177.334 177.584 -0.164 0.000 1.062 364 A CA 0.263 52.221 52.037 -0.131 0.000 0.760 364 A CB -0.332 18.586 19.000 -0.136 0.000 0.995 364 A HN 0.366 nan 8.150 nan 0.000 0.501 365 V N 3.285 123.073 119.914 -0.211 0.000 2.540 365 V HA 0.255 4.374 4.120 -0.000 0.000 0.302 365 V C -0.181 175.690 176.094 -0.371 0.000 1.035 365 V CA -0.693 61.439 62.300 -0.280 0.000 0.873 365 V CB 1.765 33.395 31.823 -0.323 0.000 0.992 365 V HN 0.976 nan 8.190 nan 0.000 0.428 366 N N 3.862 122.398 118.700 -0.275 0.000 2.425 366 N HA 0.571 5.311 4.740 -0.000 0.000 0.268 366 N C -0.865 174.557 175.510 -0.147 0.000 0.991 366 N CA -0.526 52.386 53.050 -0.230 0.000 0.931 366 N CB 1.094 39.499 38.487 -0.135 0.000 1.130 366 N HN 0.421 nan 8.380 nan 0.000 0.493 367 F N 0.994 120.925 119.950 -0.032 0.000 2.399 367 F HA 0.126 4.653 4.527 -0.000 0.000 0.313 367 F C 1.338 177.128 175.800 -0.016 0.000 1.202 367 F CA -0.285 57.703 58.000 -0.021 0.000 1.192 367 F CB 0.329 39.315 39.000 -0.024 0.000 1.256 367 F HN 0.387 nan 8.300 nan 0.000 0.558 368 H N 1.125 120.292 119.070 0.161 0.000 2.646 368 H HA 0.094 4.649 4.556 -0.000 0.000 0.325 368 H C 0.625 175.973 175.328 0.033 0.000 1.075 368 H CA -0.020 56.058 56.048 0.051 0.000 1.421 368 H CB 1.179 30.938 29.762 -0.004 0.000 1.461 368 H HN 0.572 nan 8.280 nan 0.000 0.525 369 E N 2.864 123.134 120.200 0.116 0.000 2.209 369 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 369 E C 2.135 178.849 176.600 0.190 0.000 0.993 369 E CA 0.755 57.233 56.400 0.131 0.000 0.819 369 E CB 0.117 29.847 29.700 0.050 0.000 0.745 369 E HN 0.450 nan 8.360 nan 0.000 0.477 370 V N -0.267 119.854 119.914 0.344 0.000 2.255 370 V HA -0.367 3.752 4.120 -0.000 0.000 0.247 370 V C 2.241 178.392 176.094 0.094 0.000 1.051 370 V CA 1.911 64.285 62.300 0.124 0.000 1.018 370 V CB -0.412 31.407 31.823 -0.007 0.000 0.641 370 V HN 0.460 nan 8.190 nan 0.000 0.445 371 C N -0.490 118.832 119.300 0.037 0.000 2.466 371 C HA -0.016 4.444 4.460 -0.000 0.000 0.278 371 C C 2.549 177.623 174.990 0.140 0.000 1.288 371 C CA 0.435 59.457 59.018 0.008 0.000 1.722 371 C CB -0.907 26.586 27.740 -0.411 0.000 2.017 371 C HN 0.523 nan 8.230 nan 0.000 0.488 372 I N 1.179 121.807 120.570 0.097 0.000 2.208 372 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 372 I C 2.649 178.837 176.117 0.119 0.000 1.097 372 I CA 1.756 63.118 61.300 0.104 0.000 1.363 372 I CB -0.516 37.547 38.000 0.105 0.000 1.051 372 I HN 0.331 nan 8.210 nan 0.000 0.413 373 E N 0.742 121.012 120.200 0.116 0.000 2.051 373 E HA -0.198 4.151 4.350 -0.000 0.000 0.192 373 E C 2.262 178.934 176.600 0.120 0.000 0.991 373 E CA 1.662 58.126 56.400 0.107 0.000 0.799 373 E CB -0.261 29.482 29.700 0.071 0.000 0.748 373 E HN 0.464 nan 8.360 nan 0.000 0.449 374 C N -0.577 118.814 119.300 0.151 0.000 2.429 374 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 374 C C 2.661 177.708 174.990 0.094 0.000 1.262 374 C CA 0.785 59.894 59.018 0.152 0.000 1.733 374 C CB -0.844 27.058 27.740 0.271 0.000 2.010 374 C HN 0.299 nan 8.230 nan 0.000 0.483 375 V N 0.797 120.785 119.914 0.124 0.000 2.307 375 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 375 V C 2.471 178.590 176.094 0.042 0.000 1.045 375 V CA 2.385 64.718 62.300 0.055 0.000 1.024 375 V CB -0.830 31.032 31.823 0.066 0.000 0.651 375 V HN 0.556 nan 8.190 nan 0.000 0.449 376 S N -0.268 115.492 115.700 0.099 0.000 2.359 376 S HA -0.225 4.245 4.470 -0.000 0.000 0.224 376 S C 2.097 176.847 174.600 0.250 0.000 1.035 376 S CA 1.659 59.967 58.200 0.180 0.000 1.018 376 S CB -0.341 63.019 63.200 0.267 0.000 0.876 376 S HN 0.521 nan 8.310 nan 0.000 0.448 377 R N 0.888 121.500 120.500 0.185 0.000 2.081 377 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 377 R C 2.775 179.149 176.300 0.123 0.000 1.131 377 R CA 1.445 57.644 56.100 0.166 0.000 0.960 377 R CB -0.590 29.776 30.300 0.111 0.000 0.856 377 R HN 0.367 nan 8.270 nan 0.000 0.436 378 S N 0.361 116.099 115.700 0.063 0.000 2.359 378 S HA -0.175 4.294 4.470 -0.000 0.000 0.224 378 S C 2.063 176.687 174.600 0.040 0.000 1.035 378 S CA 1.371 59.583 58.200 0.020 0.000 1.018 378 S CB -0.183 62.995 63.200 -0.036 0.000 0.876 378 S HN 0.439 nan 8.310 nan 0.000 0.448 379 A N 0.288 123.109 122.820 0.001 0.000 1.877 379 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 379 A C 1.931 179.499 177.584 -0.027 0.000 1.186 379 A CA 1.480 53.485 52.037 -0.053 0.000 0.620 379 A CB -1.085 17.729 19.000 -0.310 0.000 0.822 379 A HN 0.646 nan 8.150 nan 0.000 0.443 380 F N -0.090 119.926 119.950 0.111 0.000 2.407 380 F HA 0.048 4.575 4.527 -0.000 0.000 0.299 380 F C 2.603 178.439 175.800 0.059 0.000 1.097 380 F CA 0.554 58.608 58.000 0.092 0.000 1.422 380 F CB -0.006 39.030 39.000 0.060 0.000 1.067 380 F HN 0.265 nan 8.300 nan 0.000 0.539 381 A N -0.522 122.406 122.820 0.181 0.000 2.067 381 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 381 A C 1.930 179.514 177.584 -0.000 0.000 1.158 381 A CA 1.336 53.422 52.037 0.081 0.000 0.661 381 A CB -0.304 18.725 19.000 0.049 0.000 0.801 381 A HN 0.470 nan 8.150 nan 0.000 0.452 382 Q N -2.653 117.128 119.800 -0.032 0.000 2.280 382 Q HA 0.339 4.679 4.340 -0.000 0.000 0.244 382 Q C -1.018 174.606 176.000 -0.627 0.000 0.847 382 Q CA -0.046 55.577 55.803 -0.300 0.000 0.945 382 Q CB 0.917 29.464 28.738 -0.318 0.000 1.115 382 Q HN 0.582 nan 8.270 nan 0.000 0.513 383 F N 0.546 120.486 119.950 -0.016 0.000 2.599 383 F HA 0.389 4.916 4.527 -0.000 0.000 0.311 383 F C -0.147 175.679 175.800 0.045 0.000 1.076 383 F CA -1.203 56.787 58.000 -0.017 0.000 0.937 383 F CB 1.395 40.349 39.000 -0.076 0.000 1.282 383 F HN -0.383 nan 8.300 nan 0.000 0.460 384 K N 1.123 121.665 120.400 0.236 0.000 2.319 384 K HA 0.084 4.403 4.320 -0.000 0.000 0.265 384 K C 1.023 177.773 176.600 0.251 0.000 1.000 384 K CA -0.351 56.055 56.287 0.198 0.000 0.943 384 K CB 0.810 33.391 32.500 0.135 0.000 0.950 384 K HN 0.610 nan 8.250 nan 0.000 0.485 385 K N 1.855 122.427 120.400 0.286 0.000 2.074 385 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 385 K C 1.280 178.038 176.600 0.264 0.000 1.048 385 K CA 2.158 58.681 56.287 0.393 0.000 0.926 385 K CB -0.007 32.620 32.500 0.213 0.000 0.713 385 K HN 0.730 nan 8.250 nan 0.000 0.444 386 D N -0.205 120.288 120.400 0.155 0.000 2.378 386 D HA -0.147 4.493 4.640 -0.000 0.000 0.227 386 D C 0.943 177.283 176.300 0.066 0.000 1.012 386 D CA 0.803 54.862 54.000 0.099 0.000 0.905 386 D CB 0.048 40.891 40.800 0.071 0.000 0.895 386 D HN 0.364 nan 8.370 nan 0.000 0.532 387 Q N -0.107 119.733 119.800 0.067 0.000 2.319 387 Q HA 0.197 4.537 4.340 -0.000 0.000 0.202 387 Q C -0.265 175.674 176.000 -0.101 0.000 0.896 387 Q CA 0.013 55.815 55.803 -0.003 0.000 0.942 387 Q CB 1.548 30.314 28.738 0.046 0.000 1.083 387 Q HN 0.131 nan 8.270 nan 0.000 0.510 388 V N 0.582 120.450 119.914 -0.076 0.000 2.735 388 V HA 0.519 4.639 4.120 -0.000 0.000 0.310 388 V C -0.485 175.579 176.094 -0.049 0.000 1.061 388 V CA -0.942 61.249 62.300 -0.182 0.000 0.913 388 V CB 2.318 33.843 31.823 -0.498 0.000 1.005 388 V HN 0.055 nan 8.190 nan 0.000 0.428 389 R N 2.358 122.823 120.500 -0.059 0.000 2.604 389 R HA 0.432 4.772 4.340 -0.000 0.000 0.281 389 R C -1.043 175.263 176.300 0.010 0.000 1.020 389 R CA -0.629 55.474 56.100 0.006 0.000 0.899 389 R CB 2.262 32.558 30.300 -0.007 0.000 1.205 389 R HN 0.853 nan 8.270 nan 0.000 0.450 390 Q N 2.930 122.762 119.800 0.053 0.000 2.327 390 Q HA 0.365 4.704 4.340 -0.000 0.000 0.254 390 Q C -0.395 175.631 176.000 0.044 0.000 0.952 390 Q CA 0.203 56.040 55.803 0.057 0.000 0.884 390 Q CB 1.463 30.255 28.738 0.091 0.000 1.224 390 Q HN 0.485 nan 8.270 nan 0.000 0.422 391 I N 1.840 122.433 120.570 0.038 0.000 2.841 391 I HA 0.369 4.538 4.170 -0.000 0.000 0.298 391 I C -1.558 174.601 176.117 0.070 0.000 1.304 391 I CA -0.799 60.502 61.300 0.002 0.000 1.019 391 I CB 1.552 39.553 38.000 0.002 0.000 1.282 391 I HN 0.732 nan 8.210 nan 0.000 0.432 392 W N 4.390 125.721 121.300 0.051 0.000 2.516 392 W HA 0.644 5.304 4.660 -0.000 0.000 0.343 392 W C -0.766 175.837 176.519 0.141 0.000 1.094 392 W CA -1.032 56.336 57.345 0.039 0.000 1.250 392 W CB 1.001 30.462 29.460 0.003 0.000 1.308 392 W HN 0.483 nan 8.180 nan 0.000 0.588 393 S N 0.670 116.638 115.700 0.448 0.000 2.513 393 S HA 0.400 4.870 4.470 -0.000 0.000 0.276 393 S C 1.046 175.934 174.600 0.479 0.000 1.254 393 S CA 0.217 58.714 58.200 0.494 0.000 1.053 393 S CB 0.989 64.539 63.200 0.583 0.000 0.958 393 S HN 0.686 nan 8.310 nan 0.000 0.491 394 G N 3.142 112.107 108.800 0.274 0.000 2.551 394 G HA2 0.365 4.325 3.960 -0.000 0.000 0.216 394 G HA3 0.365 4.325 3.960 -0.000 0.000 0.216 394 G C 0.434 175.384 174.900 0.083 0.000 1.137 394 G CA 0.436 45.677 45.100 0.235 0.000 0.798 394 G HN 0.981 nan 8.290 nan 0.000 0.536 395 A N -0.070 122.761 122.820 0.018 0.000 2.295 395 A HA 0.728 5.048 4.320 -0.000 0.000 0.318 395 A C 0.662 178.059 177.584 -0.312 0.000 1.134 395 A CA 0.085 51.989 52.037 -0.221 0.000 0.827 395 A CB 0.904 19.720 19.000 -0.308 0.000 1.136 395 A HN 0.479 nan 8.150 nan 0.000 0.493 396 G N 0.581 109.154 108.800 -0.379 0.000 2.503 396 G HA2 0.532 4.492 3.960 -0.000 0.000 0.257 396 G HA3 0.532 4.492 3.960 -0.000 0.000 0.257 396 G C -0.363 174.276 174.900 -0.436 0.000 1.214 396 G CA -0.126 44.893 45.100 -0.134 0.000 0.839 396 G HN 0.763 nan 8.290 nan 0.000 0.559 397 H N -0.076 119.060 119.070 0.111 0.000 2.985 397 H HA 0.195 4.751 4.556 -0.000 0.000 0.360 397 H C 0.122 175.473 175.328 0.038 0.000 1.221 397 H CA -0.699 55.409 56.048 0.100 0.000 1.121 397 H CB 2.244 32.095 29.762 0.147 0.000 1.854 397 H HN 0.484 nan 8.280 nan 0.000 0.551 398 D N 0.436 120.909 120.400 0.122 0.000 2.221 398 D HA -0.105 4.534 4.640 -0.000 0.000 0.204 398 D C 1.435 177.593 176.300 -0.236 0.000 0.982 398 D CA 1.069 54.926 54.000 -0.238 0.000 0.857 398 D CB 0.152 40.615 40.800 -0.561 0.000 0.934 398 D HN 0.292 nan 8.370 nan 0.000 0.475 399 S N 0.256 116.008 115.700 0.086 0.000 2.419 399 S HA -0.156 4.313 4.470 -0.000 0.000 0.235 399 S C 2.234 176.981 174.600 0.245 0.000 1.019 399 S CA 0.531 58.835 58.200 0.174 0.000 0.982 399 S CB -0.250 63.063 63.200 0.189 0.000 0.789 399 S HN 0.417 nan 8.310 nan 0.000 0.490 400 C N 1.410 120.836 119.300 0.211 0.000 2.425 400 C HA -0.045 4.415 4.460 -0.000 0.000 0.277 400 C C 2.705 177.692 174.990 -0.006 0.000 1.280 400 C CA 0.414 59.495 59.018 0.104 0.000 1.744 400 C CB -1.049 26.717 27.740 0.044 0.000 1.989 400 C HN 0.555 nan 8.230 nan 0.000 0.491 401 Q N 0.293 120.049 119.800 -0.073 0.000 2.302 401 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 401 Q C 2.327 178.326 176.000 -0.002 0.000 0.936 401 Q CA 1.854 57.607 55.803 -0.083 0.000 0.886 401 Q CB -0.823 27.827 28.738 -0.147 0.000 0.986 401 Q HN 0.877 nan 8.270 nan 0.000 0.487 402 T N -1.963 112.552 114.554 -0.065 0.000 2.978 402 T HA 0.165 4.515 4.350 -0.000 0.000 0.262 402 T C 2.006 176.760 174.700 0.090 0.000 1.063 402 T CA 0.806 62.957 62.100 0.085 0.000 1.140 402 T CB -0.099 68.645 68.868 -0.207 0.000 0.886 402 T HN 0.146 nan 8.240 nan 0.000 0.470 403 A N 3.170 126.024 122.820 0.057 0.000 1.917 403 A HA 0.012 4.332 4.320 -0.000 0.000 0.219 403 A C 0.405 177.965 177.584 -0.040 0.000 1.182 403 A CA 1.501 53.589 52.037 0.084 0.000 0.633 403 A CB -1.741 17.381 19.000 0.205 0.000 0.819 403 A HN 0.526 nan 8.150 nan 0.000 0.448 404 P HA -0.083 nan 4.420 nan 0.000 0.226 404 P C 0.777 177.787 177.300 -0.484 0.000 1.153 404 P CA 1.197 64.049 63.100 -0.413 0.000 0.777 404 P CB -0.048 31.263 31.700 -0.648 0.000 0.794 405 H N -1.962 117.039 119.070 -0.115 0.000 2.594 405 H HA 0.236 4.792 4.556 -0.000 0.000 0.274 405 H C 0.911 176.237 175.328 -0.004 0.000 0.982 405 H CA 0.535 56.478 56.048 -0.174 0.000 1.228 405 H CB 0.342 29.827 29.762 -0.461 0.000 1.447 405 H HN -0.012 nan 8.280 nan 0.000 0.485 406 V N -1.197 118.815 119.914 0.163 0.000 3.007 406 V HA 0.530 4.650 4.120 -0.000 0.000 0.311 406 V C -2.948 173.159 176.094 0.022 0.000 1.120 406 V CA -2.902 59.470 62.300 0.120 0.000 0.980 406 V CB 2.715 34.657 31.823 0.198 0.000 1.033 406 V HN -0.195 nan 8.190 nan 0.000 0.429 407 P HA 0.319 nan 4.420 nan 0.000 0.261 407 P C -0.396 176.737 177.300 -0.278 0.000 1.183 407 P CA 0.767 63.687 63.100 -0.299 0.000 0.761 407 P CB 0.296 31.663 31.700 -0.555 0.000 0.785 408 T N 1.748 116.195 114.554 -0.179 0.000 2.952 408 T HA 0.634 4.984 4.350 -0.000 0.000 0.305 408 T C -0.606 173.801 174.700 -0.488 0.000 1.064 408 T CA -0.545 61.366 62.100 -0.315 0.000 1.008 408 T CB 1.449 70.268 68.868 -0.081 0.000 1.078 408 T HN 0.455 nan 8.240 nan 0.000 0.459 409 S N 2.411 117.648 115.700 -0.771 0.000 2.672 409 S HA 0.854 5.324 4.470 -0.000 0.000 0.271 409 S C -1.596 172.550 174.600 -0.757 0.000 1.171 409 S CA -0.996 56.614 58.200 -0.984 0.000 0.817 409 S CB 1.346 64.313 63.200 -0.388 0.000 1.150 409 S HN 0.605 nan 8.310 nan 0.000 0.478 410 M N 0.715 119.949 119.600 -0.609 0.000 2.658 410 M HA 0.596 5.075 4.480 -0.000 0.000 0.295 410 M C -1.480 174.671 176.300 -0.249 0.000 1.248 410 M CA -0.612 54.461 55.300 -0.378 0.000 0.843 410 M CB 2.172 34.512 32.600 -0.434 0.000 1.749 410 M HN 0.643 nan 8.290 nan 0.000 0.464 411 I N 0.857 121.332 120.570 -0.159 0.000 2.509 411 I HA 0.487 4.657 4.170 -0.000 0.000 0.293 411 I C -1.316 174.828 176.117 0.046 0.000 1.020 411 I CA -0.295 60.948 61.300 -0.094 0.000 1.088 411 I CB 1.713 39.687 38.000 -0.043 0.000 1.267 411 I HN 0.518 nan 8.210 nan 0.000 0.430 412 F N 5.808 125.726 119.950 -0.054 0.000 2.492 412 F HA 0.622 5.149 4.527 -0.000 0.000 0.327 412 F C 0.248 175.993 175.800 -0.092 0.000 1.079 412 F CA -1.119 56.853 58.000 -0.047 0.000 0.967 412 F CB 1.996 40.970 39.000 -0.043 0.000 1.169 412 F HN 0.313 nan 8.300 nan 0.000 0.472 413 I N 0.633 121.257 120.570 0.089 0.000 2.750 413 I HA 0.632 4.802 4.170 -0.000 0.000 0.308 413 I C -2.882 173.167 176.117 -0.113 0.000 1.016 413 I CA -2.982 58.285 61.300 -0.055 0.000 1.098 413 I CB 1.558 39.499 38.000 -0.098 0.000 1.279 413 I HN 0.198 nan 8.210 nan 0.000 0.454 414 P HA 0.159 nan 4.420 nan 0.000 0.269 414 P C -0.972 176.221 177.300 -0.178 0.000 1.215 414 P CA -0.149 62.864 63.100 -0.144 0.000 0.780 414 P CB 0.700 32.328 31.700 -0.121 0.000 0.898 415 S N 0.932 116.536 115.700 -0.160 0.000 2.478 415 S HA 0.272 4.742 4.470 -0.000 0.000 0.312 415 S C -0.303 174.248 174.600 -0.081 0.000 1.094 415 S CA -0.807 57.307 58.200 -0.143 0.000 1.081 415 S CB 0.668 63.785 63.200 -0.138 0.000 1.007 415 S HN 0.311 nan 8.310 nan 0.000 0.475 416 K N 2.237 122.618 120.400 -0.031 0.000 2.447 416 K HA -0.022 4.298 4.320 -0.000 0.000 0.281 416 K C -0.390 176.218 176.600 0.013 0.000 1.031 416 K CA 0.418 56.727 56.287 0.037 0.000 1.019 416 K CB 0.060 32.666 32.500 0.177 0.000 0.918 416 K HN 0.580 nan 8.250 nan 0.000 0.476 417 D N 2.998 123.393 120.400 -0.010 0.000 3.070 417 D HA -0.199 4.441 4.640 -0.000 0.000 0.220 417 D C 0.609 176.883 176.300 -0.042 0.000 1.176 417 D CA 1.638 55.621 54.000 -0.027 0.000 0.924 417 D CB -1.394 39.389 40.800 -0.028 0.000 1.124 417 D HN 1.037 nan 8.370 nan 0.000 0.411 418 G N -0.474 108.294 108.800 -0.053 0.000 2.203 418 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.263 418 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.263 418 G C 0.049 174.910 174.900 -0.066 0.000 1.012 418 G CA 0.537 45.592 45.100 -0.075 0.000 0.749 418 G HN 0.526 nan 8.290 nan 0.000 0.512 419 L N 0.901 122.104 121.223 -0.034 0.000 2.276 419 L HA 0.846 5.185 4.340 -0.000 0.000 0.286 419 L C 0.198 177.075 176.870 0.013 0.000 1.061 419 L CA 0.186 55.020 54.840 -0.010 0.000 0.807 419 L CB 1.737 43.806 42.059 0.016 0.000 1.177 419 L HN 0.281 nan 8.230 nan 0.000 0.429 420 S N 2.803 118.506 115.700 0.005 0.000 2.638 420 S HA 0.473 4.943 4.470 -0.000 0.000 0.274 420 S C -0.686 173.981 174.600 0.111 0.000 1.157 420 S CA -0.441 57.788 58.200 0.049 0.000 0.826 420 S CB 0.564 63.747 63.200 -0.029 0.000 1.139 420 S HN 0.846 nan 8.310 nan 0.000 0.474 421 H N 0.458 119.550 119.070 0.036 0.000 2.756 421 H HA -0.139 4.417 4.556 -0.000 0.000 0.315 421 H C -0.380 174.925 175.328 -0.039 0.000 1.210 421 H CA 0.864 56.912 56.048 -0.000 0.000 1.150 421 H CB -1.093 28.655 29.762 -0.024 0.000 1.463 421 H HN 0.456 nan 8.280 nan 0.000 0.427 422 N N -0.612 118.143 118.700 0.093 0.000 2.555 422 N HA 0.002 4.742 4.740 -0.000 0.000 0.265 422 N C 0.504 176.081 175.510 0.112 0.000 1.135 422 N CA -0.538 52.525 53.050 0.020 0.000 0.925 422 N CB 0.883 39.408 38.487 0.064 0.000 1.662 422 N HN 0.110 nan 8.380 nan 0.000 0.489 423 Y N 1.038 121.384 120.300 0.077 0.000 2.181 423 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 423 Y C 0.878 176.748 175.900 -0.050 0.000 1.179 423 Y CA 1.323 59.426 58.100 0.004 0.000 1.179 423 Y CB 0.018 38.407 38.460 -0.117 0.000 0.973 423 Y HN 0.558 nan 8.280 nan 0.000 0.519 424 Y N 0.399 120.735 120.300 0.059 0.000 2.471 424 Y HA 0.026 4.576 4.550 -0.000 0.000 0.286 424 Y C 0.916 176.898 175.900 0.136 0.000 1.188 424 Y CA -0.379 57.675 58.100 -0.078 0.000 1.286 424 Y CB -0.409 37.865 38.460 -0.310 0.000 1.072 424 Y HN 0.051 nan 8.280 nan 0.000 0.517 425 E N 0.941 121.322 120.200 0.302 0.000 2.608 425 E HA -0.131 4.219 4.350 -0.000 0.000 0.259 425 E C -1.348 175.515 176.600 0.439 0.000 0.951 425 E CA 0.393 56.971 56.400 0.296 0.000 0.945 425 E CB 0.277 30.143 29.700 0.277 0.000 0.916 425 E HN 0.324 nan 8.360 nan 0.000 0.477 426 Y N 2.239 122.588 120.300 0.082 0.000 2.482 426 Y HA 0.313 4.863 4.550 -0.000 0.000 0.334 426 Y C -1.500 174.193 175.900 -0.344 0.000 1.091 426 Y CA -0.573 57.481 58.100 -0.076 0.000 1.027 426 Y CB 1.905 40.413 38.460 0.079 0.000 1.306 426 Y HN 0.433 nan 8.280 nan 0.000 0.446 427 S N 3.019 117.869 115.700 -1.417 0.000 2.538 427 S HA 0.527 4.997 4.470 -0.000 0.000 0.288 427 S C -0.952 172.830 174.600 -1.364 0.000 1.108 427 S CA -0.843 56.683 58.200 -1.125 0.000 0.971 427 S CB 1.478 64.172 63.200 -0.842 0.000 1.041 427 S HN 0.782 nan 8.310 nan 0.000 0.483 428 S N 2.446 117.643 115.700 -0.838 0.000 2.593 428 S HA 0.313 4.783 4.470 -0.000 0.000 0.269 428 S C -2.045 172.371 174.600 -0.306 0.000 1.334 428 S CA -0.840 57.059 58.200 -0.503 0.000 1.015 428 S CB 0.250 63.356 63.200 -0.157 0.000 0.912 428 S HN 0.347 nan 8.310 nan 0.000 0.541 429 P HA -0.160 nan 4.420 nan 0.000 0.216 429 P C 1.466 178.731 177.300 -0.058 0.000 1.153 429 P CA 1.613 64.663 63.100 -0.083 0.000 0.858 429 P CB 0.013 31.694 31.700 -0.032 0.000 0.789 430 E N 0.283 120.456 120.200 -0.045 0.000 2.051 430 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 430 E C 1.833 178.423 176.600 -0.018 0.000 0.991 430 E CA 1.364 57.758 56.400 -0.011 0.000 0.799 430 E CB -0.400 29.302 29.700 0.003 0.000 0.748 430 E HN 0.220 nan 8.360 nan 0.000 0.449 431 E N 0.339 120.492 120.200 -0.078 0.000 2.085 431 E HA -0.187 4.162 4.350 -0.000 0.000 0.194 431 E C 2.186 178.732 176.600 -0.090 0.000 0.994 431 E CA 1.458 57.794 56.400 -0.107 0.000 0.801 431 E CB -0.114 29.478 29.700 -0.180 0.000 0.743 431 E HN 0.405 nan 8.360 nan 0.000 0.453 432 I N 0.742 121.248 120.570 -0.105 0.000 2.179 432 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 432 I C 2.602 178.740 176.117 0.035 0.000 1.088 432 I CA 1.276 62.542 61.300 -0.058 0.000 1.357 432 I CB -0.167 37.788 38.000 -0.074 0.000 1.051 432 I HN 0.136 nan 8.210 nan 0.000 0.409 433 E N 1.118 121.346 120.200 0.047 0.000 2.077 433 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 433 E C 1.949 178.659 176.600 0.183 0.000 0.989 433 E CA 1.431 57.908 56.400 0.127 0.000 0.800 433 E CB 0.082 29.835 29.700 0.088 0.000 0.746 433 E HN 0.372 nan 8.360 nan 0.000 0.452 434 N N 0.085 118.873 118.700 0.148 0.000 2.069 434 N HA -0.139 4.600 4.740 -0.000 0.000 0.191 434 N C 1.764 177.348 175.510 0.123 0.000 1.031 434 N CA 1.439 54.623 53.050 0.224 0.000 0.852 434 N CB -0.888 37.673 38.487 0.124 0.000 1.018 434 N HN 0.323 nan 8.380 nan 0.000 0.423 435 G N -0.034 108.792 108.800 0.045 0.000 2.418 435 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 435 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 435 G C 1.419 176.359 174.900 0.066 0.000 1.158 435 G CA 0.363 45.475 45.100 0.021 0.000 0.771 435 G HN 0.317 nan 8.290 nan 0.000 0.545 436 F N 1.749 121.687 119.950 -0.021 0.000 2.134 436 F HA 0.021 4.548 4.527 -0.000 0.000 0.299 436 F C 2.594 178.375 175.800 -0.032 0.000 1.097 436 F CA 1.715 59.695 58.000 -0.034 0.000 1.264 436 F CB -0.172 38.808 39.000 -0.035 0.000 1.001 436 F HN 0.044 nan 8.300 nan 0.000 0.479 437 K N -0.071 120.218 120.400 -0.186 0.000 2.057 437 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 437 K C 2.046 178.522 176.600 -0.208 0.000 1.049 437 K CA 1.629 57.760 56.287 -0.259 0.000 0.931 437 K CB -0.554 31.929 32.500 -0.028 0.000 0.714 437 K HN 0.224 nan 8.250 nan 0.000 0.440 438 V N 1.604 121.472 119.914 -0.077 0.000 2.358 438 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 438 V C 2.184 178.177 176.094 -0.169 0.000 1.047 438 V CA 1.351 63.609 62.300 -0.070 0.000 1.035 438 V CB -0.385 31.418 31.823 -0.033 0.000 0.658 438 V HN 0.246 nan 8.190 nan 0.000 0.452 439 L N -0.124 120.977 121.223 -0.203 0.000 2.017 439 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 439 L C 2.229 178.896 176.870 -0.338 0.000 1.073 439 L CA 1.954 56.651 54.840 -0.239 0.000 0.745 439 L CB -0.710 41.260 42.059 -0.148 0.000 0.894 439 L HN 0.300 nan 8.230 nan 0.000 0.432 440 L N -0.422 120.512 121.223 -0.481 0.000 1.989 440 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 440 L C 2.543 179.242 176.870 -0.284 0.000 1.071 440 L CA 2.311 56.860 54.840 -0.486 0.000 0.749 440 L CB -0.936 40.664 42.059 -0.765 0.000 0.890 440 L HN 0.510 nan 8.230 nan 0.000 0.431 441 Q N -0.583 119.067 119.800 -0.249 0.000 2.230 441 Q HA -0.021 4.319 4.340 -0.000 0.000 0.202 441 Q C 2.049 177.962 176.000 -0.145 0.000 0.963 441 Q CA 1.585 57.296 55.803 -0.153 0.000 0.866 441 Q CB -0.306 28.363 28.738 -0.115 0.000 0.931 441 Q HN 0.623 nan 8.270 nan 0.000 0.452 442 A N 0.163 122.845 122.820 -0.230 0.000 1.898 442 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 442 A C 2.057 179.344 177.584 -0.496 0.000 1.181 442 A CA 1.375 53.208 52.037 -0.340 0.000 0.620 442 A CB -0.644 18.093 19.000 -0.438 0.000 0.819 442 A HN 0.459 nan 8.150 nan 0.000 0.442 443 I N -0.390 119.891 120.570 -0.481 0.000 2.226 443 I HA -0.255 3.914 4.170 -0.000 0.000 0.245 443 I C 2.291 178.434 176.117 0.044 0.000 1.100 443 I CA 1.270 62.410 61.300 -0.267 0.000 1.374 443 I CB -0.338 37.592 38.000 -0.118 0.000 1.057 443 I HN 0.299 nan 8.210 nan 0.000 0.413 444 I N 0.893 121.492 120.570 0.049 0.000 2.163 444 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 444 I C 2.236 178.422 176.117 0.115 0.000 1.085 444 I CA 1.357 62.726 61.300 0.115 0.000 1.347 444 I CB -0.556 37.470 38.000 0.043 0.000 1.044 444 I HN 0.300 nan 8.210 nan 0.000 0.408 445 N N 0.258 118.999 118.700 0.069 0.000 2.104 445 N HA -0.262 4.478 4.740 -0.000 0.000 0.190 445 N C 1.802 177.432 175.510 0.200 0.000 1.024 445 N CA 1.544 54.660 53.050 0.109 0.000 0.853 445 N CB -0.626 37.906 38.487 0.075 0.000 1.008 445 N HN 0.406 nan 8.380 nan 0.000 0.424 446 Y N 1.359 121.727 120.300 0.112 0.000 2.220 446 Y HA -0.145 4.405 4.550 -0.000 0.000 0.291 446 Y C 2.151 178.215 175.900 0.273 0.000 1.129 446 Y CA 1.567 59.817 58.100 0.250 0.000 1.161 446 Y CB -0.492 38.176 38.460 0.347 0.000 0.997 446 Y HN 0.038 nan 8.280 nan 0.000 0.522 447 D N -0.423 120.120 120.400 0.239 0.000 2.123 447 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 447 D C 1.679 178.053 176.300 0.123 0.000 0.992 447 D CA 1.749 55.861 54.000 0.186 0.000 0.833 447 D CB -0.178 40.773 40.800 0.251 0.000 0.954 447 D HN 0.283 nan 8.370 nan 0.000 0.455 448 N N -0.844 117.934 118.700 0.130 0.000 2.188 448 N HA -0.179 4.561 4.740 -0.000 0.000 0.184 448 N C 1.535 177.097 175.510 0.088 0.000 1.018 448 N CA 0.779 53.896 53.050 0.111 0.000 0.858 448 N CB -0.631 37.929 38.487 0.122 0.000 0.989 448 N HN 0.444 nan 8.380 nan 0.000 0.426 449 Y N 2.096 122.369 120.300 -0.044 0.000 2.181 449 Y HA -0.126 4.424 4.550 -0.000 0.000 0.288 449 Y C 2.199 178.005 175.900 -0.157 0.000 1.146 449 Y CA 1.470 59.518 58.100 -0.086 0.000 1.164 449 Y CB 0.001 38.403 38.460 -0.098 0.000 0.982 449 Y HN -0.065 nan 8.280 nan 0.000 0.515 450 R N -0.335 119.895 120.500 -0.450 0.000 2.105 450 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 450 R C 2.135 178.245 176.300 -0.316 0.000 1.135 450 R CA 1.566 57.333 56.100 -0.557 0.000 0.967 450 R CB -0.703 29.255 30.300 -0.569 0.000 0.861 450 R HN 0.300 nan 8.270 nan 0.000 0.442 451 V N 1.560 121.432 119.914 -0.070 0.000 2.255 451 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 451 V C 2.298 178.244 176.094 -0.248 0.000 1.051 451 V CA 1.905 64.165 62.300 -0.067 0.000 1.018 451 V CB -0.380 31.447 31.823 0.006 0.000 0.641 451 V HN 0.277 nan 8.190 nan 0.000 0.445 452 I N -0.534 119.958 120.570 -0.130 0.000 2.252 452 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 452 I C 2.733 178.759 176.117 -0.152 0.000 1.102 452 I CA 1.619 62.893 61.300 -0.042 0.000 1.385 452 I CB -0.582 37.428 38.000 0.017 0.000 1.064 452 I HN 0.237 nan 8.210 nan 0.000 0.414 453 R N 1.405 121.706 120.500 -0.332 0.000 2.096 453 R HA -0.191 4.149 4.340 -0.000 0.000 0.240 453 R C 2.335 178.553 176.300 -0.135 0.000 1.139 453 R CA 2.004 57.935 56.100 -0.282 0.000 0.952 453 R CB -0.606 29.327 30.300 -0.611 0.000 0.854 453 R HN 0.435 nan 8.270 nan 0.000 0.436 454 G N -0.264 108.408 108.800 -0.213 0.000 2.422 454 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 454 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 454 G C 1.062 175.892 174.900 -0.116 0.000 1.146 454 G CA 0.805 45.816 45.100 -0.148 0.000 0.769 454 G HN 0.398 nan 8.290 nan 0.000 0.547 455 H N -0.366 118.663 119.070 -0.067 0.000 2.423 455 H HA -0.005 4.551 4.556 -0.000 0.000 0.297 455 H C 2.455 177.681 175.328 -0.169 0.000 1.075 455 H CA 1.484 57.479 56.048 -0.088 0.000 1.342 455 H CB -0.052 29.663 29.762 -0.078 0.000 1.395 455 H HN 0.502 nan 8.280 nan 0.000 0.530 456 Q N -0.342 119.341 119.800 -0.196 0.000 2.163 456 Q HA -0.014 4.326 4.340 -0.000 0.000 0.198 456 Q C -0.341 175.226 176.000 -0.722 0.000 0.954 456 Q CA 0.656 56.124 55.803 -0.559 0.000 0.851 456 Q CB 0.426 28.627 28.738 -0.895 0.000 0.928 456 Q HN 0.176 nan 8.270 nan 0.000 0.459 457 F N 1.659 121.608 119.950 -0.002 0.000 2.531 457 F HA 0.415 4.941 4.527 -0.000 0.000 0.333 457 F C -1.998 173.797 175.800 -0.008 0.000 1.292 457 F CA -2.351 55.646 58.000 -0.004 0.000 1.184 457 F CB 0.568 39.560 39.000 -0.013 0.000 1.426 457 F HN 0.041 nan 8.300 nan 0.000 0.559 458 P HA 0.000 nan 4.420 nan 0.000 0.216 458 P CA 0.000 63.147 63.100 0.078 0.000 0.800 458 P CB 0.000 31.737 31.700 0.061 0.000 0.726