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 1ryw_1_E DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGSAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.328 176.300 0.046 0.000 1.140 1 M CA 0.000 55.317 55.300 0.029 0.000 0.988 1 M CB 0.000 32.625 32.600 0.041 0.000 1.302 2 D N 4.156 124.588 120.400 0.053 0.000 2.423 2 D HA 0.478 5.118 4.640 -0.000 0.000 0.238 2 D C -0.431 175.892 176.300 0.038 0.000 1.142 2 D CA 0.659 54.691 54.000 0.054 0.000 0.884 2 D CB 0.790 41.619 40.800 0.049 0.000 1.199 2 D HN 0.514 nan 8.370 nan 0.000 0.438 3 K N 0.648 121.090 120.400 0.071 0.000 2.466 3 K HA 0.492 4.811 4.320 -0.000 0.000 0.260 3 K C -0.881 175.874 176.600 0.259 0.000 1.011 3 K CA -0.799 55.534 56.287 0.078 0.000 0.871 3 K CB 2.021 34.571 32.500 0.083 0.000 1.404 3 K HN 0.302 nan 8.250 nan 0.000 0.450 4 F N 1.147 121.102 119.950 0.008 0.000 2.467 4 F HA 0.406 4.933 4.527 -0.000 0.000 0.336 4 F C 0.145 175.944 175.800 -0.002 0.000 1.123 4 F CA -1.030 56.971 58.000 0.001 0.000 0.964 4 F CB 1.997 40.990 39.000 -0.012 0.000 1.136 4 F HN 0.235 nan 8.300 nan 0.000 0.447 5 R N 3.976 124.555 120.500 0.132 0.000 2.265 5 R HA 0.604 4.944 4.340 -0.000 0.000 0.328 5 R C -1.780 174.516 176.300 -0.006 0.000 0.969 5 R CA -0.368 55.765 56.100 0.054 0.000 0.832 5 R CB 1.273 31.593 30.300 0.034 0.000 1.139 5 R HN 0.473 nan 8.270 nan 0.000 0.457 6 V N 4.297 124.213 119.914 0.004 0.000 2.680 6 V HA 0.392 4.512 4.120 -0.000 0.000 0.309 6 V C -0.505 175.580 176.094 -0.016 0.000 1.052 6 V CA -0.856 61.429 62.300 -0.026 0.000 0.908 6 V CB 2.004 33.818 31.823 -0.016 0.000 1.001 6 V HN 0.766 nan 8.190 nan 0.000 0.431 7 Q N 1.515 121.301 119.800 -0.024 0.000 2.337 7 Q HA 0.736 5.076 4.340 -0.000 0.000 0.270 7 Q C -0.057 175.932 176.000 -0.018 0.000 1.043 7 Q CA -0.431 55.362 55.803 -0.017 0.000 0.794 7 Q CB 2.697 31.425 28.738 -0.017 0.000 1.281 7 Q HN 0.986 nan 8.270 nan 0.000 0.446 8 G N 1.811 110.602 108.800 -0.014 0.000 3.022 8 G HA2 0.703 4.663 3.960 -0.000 0.000 0.284 8 G HA3 0.703 4.663 3.960 -0.000 0.000 0.284 8 G C -2.896 171.997 174.900 -0.012 0.000 1.375 8 G CA -1.237 43.854 45.100 -0.015 0.000 0.902 8 G HN 0.365 nan 8.290 nan 0.000 0.538 9 P HA 0.357 nan 4.420 nan 0.000 0.282 9 P C -0.705 176.588 177.300 -0.012 0.000 1.249 9 P CA -0.037 63.056 63.100 -0.012 0.000 0.806 9 P CB 1.567 33.260 31.700 -0.011 0.000 0.984 10 T N -0.654 113.892 114.554 -0.013 0.000 2.916 10 T HA 0.454 4.804 4.350 -0.000 0.000 0.298 10 T C -0.286 174.408 174.700 -0.009 0.000 1.031 10 T CA -1.042 61.051 62.100 -0.012 0.000 0.993 10 T CB 1.652 70.511 68.868 -0.014 0.000 1.045 10 T HN 0.433 nan 8.240 nan 0.000 0.454 11 R N 2.850 123.345 120.500 -0.007 0.000 2.340 11 R HA 0.526 4.866 4.340 -0.000 0.000 0.300 11 R C -0.768 175.531 176.300 -0.002 0.000 1.069 11 R CA -0.687 55.410 56.100 -0.005 0.000 0.984 11 R CB 0.309 30.606 30.300 -0.005 0.000 1.003 11 R HN 0.705 nan 8.270 nan 0.000 0.459 12 L N 6.047 127.272 121.223 0.004 0.000 2.264 12 L HA 0.340 4.680 4.340 -0.000 0.000 0.289 12 L C -0.186 176.694 176.870 0.017 0.000 1.044 12 L CA -0.317 54.534 54.840 0.018 0.000 0.807 12 L CB 1.213 43.293 42.059 0.036 0.000 1.192 12 L HN 0.771 nan 8.230 nan 0.000 0.425 13 Q N 2.691 122.497 119.800 0.011 0.000 2.575 13 Q HA 0.837 5.176 4.340 -0.000 0.000 0.290 13 Q C -0.345 175.650 176.000 -0.008 0.000 0.963 13 Q CA -0.540 55.264 55.803 0.001 0.000 0.783 13 Q CB 2.845 31.576 28.738 -0.011 0.000 1.467 13 Q HN 0.652 nan 8.270 nan 0.000 0.402 14 G N 0.699 109.488 108.800 -0.018 0.000 2.250 14 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.189 14 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.189 14 G C -1.452 173.422 174.900 -0.043 0.000 1.298 14 G CA -0.306 44.775 45.100 -0.032 0.000 1.246 14 G HN 0.696 nan 8.290 nan 0.000 0.513 15 E N -1.562 118.602 120.200 -0.061 0.000 2.393 15 E HA 0.650 5.000 4.350 -0.000 0.000 0.273 15 E C -1.506 175.013 176.600 -0.136 0.000 0.918 15 E CA -0.756 55.595 56.400 -0.081 0.000 0.773 15 E CB 3.211 32.865 29.700 -0.076 0.000 1.275 15 E HN 0.941 nan 8.360 nan 0.000 0.451 16 V N 0.974 120.784 119.914 -0.173 0.000 2.932 16 V HA 0.400 4.520 4.120 -0.000 0.000 0.307 16 V C -1.444 174.536 176.094 -0.191 0.000 1.147 16 V CA -0.275 61.852 62.300 -0.290 0.000 0.951 16 V CB 2.420 33.842 31.823 -0.669 0.000 1.031 16 V HN 0.712 nan 8.190 nan 0.000 0.426 17 T N 7.689 122.149 114.554 -0.156 0.000 2.743 17 T HA 0.507 4.857 4.350 -0.000 0.000 0.292 17 T C -0.070 174.592 174.700 -0.063 0.000 0.972 17 T CA -0.264 61.789 62.100 -0.078 0.000 0.967 17 T CB 0.470 69.308 68.868 -0.050 0.000 0.926 17 T HN 0.473 nan 8.240 nan 0.000 0.459 18 I N 3.389 123.946 120.570 -0.022 0.000 2.618 18 I HA 0.091 4.261 4.170 -0.000 0.000 0.284 18 I C 1.176 177.305 176.117 0.021 0.000 1.146 18 I CA 0.176 61.488 61.300 0.021 0.000 1.425 18 I CB -0.020 38.009 38.000 0.049 0.000 1.383 18 I HN 0.561 nan 8.210 nan 0.000 0.562 19 S N 4.259 119.981 115.700 0.037 0.000 2.655 19 S HA 0.484 4.953 4.470 -0.000 0.000 0.265 19 S C 0.697 175.300 174.600 0.004 0.000 1.240 19 S CA -0.591 57.620 58.200 0.019 0.000 0.986 19 S CB 1.171 64.390 63.200 0.032 0.000 0.985 19 S HN 0.851 nan 8.310 nan 0.000 0.562 20 G N 0.154 108.946 108.800 -0.013 0.000 2.491 20 G HA2 0.436 4.395 3.960 -0.000 0.000 0.238 20 G HA3 0.436 4.395 3.960 -0.000 0.000 0.238 20 G C -0.015 174.871 174.900 -0.023 0.000 1.277 20 G CA -0.348 44.738 45.100 -0.024 0.000 0.851 20 G HN 0.913 nan 8.290 nan 0.000 0.573 21 A N 1.462 124.269 122.820 -0.023 0.000 2.522 21 A HA 0.242 4.562 4.320 -0.000 0.000 0.256 21 A C 1.649 179.219 177.584 -0.023 0.000 1.086 21 A CA 0.327 52.349 52.037 -0.025 0.000 0.763 21 A CB 0.282 19.270 19.000 -0.020 0.000 1.024 21 A HN 0.919 nan 8.150 nan 0.000 0.502 22 K N 2.381 122.762 120.400 -0.030 0.000 2.063 22 K HA -0.174 4.145 4.320 -0.000 0.000 0.208 22 K C 0.540 177.163 176.600 0.037 0.000 1.048 22 K CA 1.938 58.218 56.287 -0.011 0.000 0.928 22 K CB -0.112 32.364 32.500 -0.039 0.000 0.713 22 K HN 0.724 nan 8.250 nan 0.000 0.442 23 N N 0.023 118.748 118.700 0.041 0.000 2.449 23 N HA 0.012 4.752 4.740 -0.000 0.000 0.191 23 N C 0.613 176.154 175.510 0.050 0.000 1.161 23 N CA 0.741 53.850 53.050 0.098 0.000 0.863 23 N CB 0.800 39.348 38.487 0.101 0.000 0.980 23 N HN 0.360 nan 8.380 nan 0.000 0.458 24 A N -0.128 122.691 122.820 -0.002 0.000 1.997 24 A HA 0.458 4.777 4.320 -0.000 0.000 0.198 24 A C 2.115 179.646 177.584 -0.087 0.000 1.449 24 A CA 0.664 52.670 52.037 -0.052 0.000 0.908 24 A CB -0.401 18.582 19.000 -0.029 0.000 0.984 24 A HN 0.166 nan 8.150 nan 0.000 0.487 25 A N 0.458 123.243 122.820 -0.058 0.000 1.908 25 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 25 A C 2.117 179.654 177.584 -0.078 0.000 1.181 25 A CA 1.579 53.561 52.037 -0.091 0.000 0.627 25 A CB -0.716 18.246 19.000 -0.064 0.000 0.818 25 A HN 0.445 nan 8.150 nan 0.000 0.445 26 L N -0.063 121.182 121.223 0.037 0.000 1.976 26 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 26 L C -0.199 176.786 176.870 0.192 0.000 1.071 26 L CA 1.843 56.804 54.840 0.201 0.000 0.746 26 L CB -1.451 40.868 42.059 0.434 0.000 0.890 26 L HN 0.301 nan 8.230 nan 0.000 0.432 27 P HA -0.173 nan 4.420 nan 0.000 0.218 27 P C 1.805 178.937 177.300 -0.279 0.000 1.149 27 P CA 1.623 64.377 63.100 -0.576 0.000 0.817 27 P CB 0.051 31.151 31.700 -1.000 0.000 0.785 28 I N -0.639 119.752 120.570 -0.299 0.000 2.252 28 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 28 I C 2.654 178.507 176.117 -0.440 0.000 1.102 28 I CA 1.013 62.009 61.300 -0.507 0.000 1.385 28 I CB -0.572 36.999 38.000 -0.714 0.000 1.064 28 I HN -0.158 nan 8.210 nan 0.000 0.414 29 L N -0.318 120.724 121.223 -0.303 0.000 2.042 29 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 29 L C 2.459 179.177 176.870 -0.254 0.000 1.076 29 L CA 1.671 56.333 54.840 -0.297 0.000 0.749 29 L CB -0.564 41.295 42.059 -0.334 0.000 0.893 29 L HN 0.156 nan 8.230 nan 0.000 0.432 30 F N -0.457 119.476 119.950 -0.029 0.000 2.259 30 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 30 F C 2.568 178.400 175.800 0.052 0.000 1.088 30 F CA 0.886 58.916 58.000 0.050 0.000 1.358 30 F CB -0.484 38.589 39.000 0.122 0.000 1.040 30 F HN -0.004 nan 8.300 nan 0.000 0.505 31 A N 0.113 123.035 122.820 0.170 0.000 2.019 31 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 31 A C 2.328 180.080 177.584 0.280 0.000 1.164 31 A CA 1.421 53.582 52.037 0.207 0.000 0.644 31 A CB -1.129 18.025 19.000 0.257 0.000 0.805 31 A HN 0.295 nan 8.150 nan 0.000 0.449 32 A N -0.345 122.622 122.820 0.246 0.000 2.125 32 A HA 0.005 4.324 4.320 -0.000 0.000 0.219 32 A C 1.935 179.623 177.584 0.174 0.000 1.156 32 A CA 1.172 53.358 52.037 0.249 0.000 0.671 32 A CB -0.567 18.515 19.000 0.136 0.000 0.794 32 A HN 0.498 nan 8.150 nan 0.000 0.459 33 L N -0.825 120.505 121.223 0.177 0.000 2.353 33 L HA -0.116 4.224 4.340 -0.000 0.000 0.220 33 L C 1.958 178.956 176.870 0.214 0.000 1.133 33 L CA 0.575 55.544 54.840 0.215 0.000 0.798 33 L CB -0.280 41.940 42.059 0.268 0.000 0.922 33 L HN 0.422 nan 8.230 nan 0.000 0.445 34 L N -0.631 120.679 121.223 0.144 0.000 2.418 34 L HA 0.123 4.462 4.340 -0.000 0.000 0.218 34 L C 1.339 178.219 176.870 0.017 0.000 1.125 34 L CA -0.359 54.513 54.840 0.054 0.000 0.835 34 L CB -0.328 41.746 42.059 0.024 0.000 0.953 34 L HN 0.096 nan 8.230 nan 0.000 0.454 35 A N 0.555 123.408 122.820 0.055 0.000 2.409 35 A HA 0.120 4.440 4.320 -0.000 0.000 0.267 35 A C 0.944 178.556 177.584 0.047 0.000 1.127 35 A CA -0.212 51.844 52.037 0.032 0.000 0.795 35 A CB 0.120 19.157 19.000 0.061 0.000 1.061 35 A HN 0.323 nan 8.150 nan 0.000 0.502 36 E N 1.494 121.705 120.200 0.018 0.000 2.478 36 E HA 0.015 4.365 4.350 -0.000 0.000 0.194 36 E C -0.098 176.526 176.600 0.041 0.000 1.045 36 E CA 0.504 56.923 56.400 0.031 0.000 0.868 36 E CB 0.396 30.097 29.700 0.003 0.000 0.885 36 E HN 0.828 nan 8.360 nan 0.000 0.505 37 E N 0.400 120.623 120.200 0.039 0.000 2.392 37 E HA 0.296 4.645 4.350 -0.000 0.000 0.269 37 E C -2.719 173.921 176.600 0.066 0.000 0.924 37 E CA -2.592 53.836 56.400 0.046 0.000 0.784 37 E CB 1.900 31.619 29.700 0.031 0.000 1.292 37 E HN -0.185 nan 8.360 nan 0.000 0.447 38 P HA -0.052 nan 4.420 nan 0.000 0.263 38 P C -1.149 176.225 177.300 0.123 0.000 1.175 38 P CA 0.315 63.480 63.100 0.109 0.000 0.761 38 P CB 0.413 32.180 31.700 0.112 0.000 0.794 39 V N 3.185 123.188 119.914 0.147 0.000 2.735 39 V HA 0.378 4.498 4.120 -0.000 0.000 0.310 39 V C -0.068 176.099 176.094 0.122 0.000 1.061 39 V CA -0.484 61.908 62.300 0.153 0.000 0.913 39 V CB 2.118 34.059 31.823 0.196 0.000 1.005 39 V HN 0.482 nan 8.190 nan 0.000 0.428 40 E N 3.814 124.056 120.200 0.070 0.000 2.185 40 E HA 0.533 4.883 4.350 -0.000 0.000 0.261 40 E C -1.528 174.987 176.600 -0.141 0.000 0.879 40 E CA -0.546 55.761 56.400 -0.154 0.000 0.756 40 E CB 1.500 31.113 29.700 -0.145 0.000 1.152 40 E HN 0.629 nan 8.360 nan 0.000 0.416 41 I N 4.511 124.930 120.570 -0.252 0.000 2.312 41 I HA 0.181 4.351 4.170 -0.000 0.000 0.290 41 I C 0.250 176.206 176.117 -0.268 0.000 1.008 41 I CA -0.465 60.722 61.300 -0.189 0.000 1.226 41 I CB 1.362 39.228 38.000 -0.223 0.000 1.371 41 I HN 0.396 nan 8.210 nan 0.000 0.468 42 Q N 3.931 123.616 119.800 -0.192 0.000 2.193 42 Q HA 0.298 4.638 4.340 -0.000 0.000 0.246 42 Q C 0.345 176.257 176.000 -0.146 0.000 0.959 42 Q CA -0.778 54.907 55.803 -0.197 0.000 0.904 42 Q CB 0.788 29.433 28.738 -0.155 0.000 1.238 42 Q HN 0.577 nan 8.270 nan 0.000 0.469 43 N N -0.604 118.021 118.700 -0.125 0.000 2.740 43 N HA -0.166 4.574 4.740 -0.000 0.000 0.248 43 N C -1.697 173.764 175.510 -0.080 0.000 1.062 43 N CA 0.244 53.242 53.050 -0.087 0.000 0.704 43 N CB -0.910 37.530 38.487 -0.078 0.000 0.968 43 N HN 0.321 nan 8.380 nan 0.000 0.547 44 V N 1.769 121.625 119.914 -0.098 0.000 2.406 44 V HA 0.397 4.516 4.120 -0.000 0.000 0.272 44 V C -1.393 174.670 176.094 -0.052 0.000 1.043 44 V CA -1.093 61.156 62.300 -0.086 0.000 0.915 44 V CB 1.196 32.949 31.823 -0.117 0.000 0.988 44 V HN 0.219 nan 8.190 nan 0.000 0.466 45 P HA 0.183 nan 4.420 nan 0.000 0.272 45 P C -0.796 176.503 177.300 -0.001 0.000 1.223 45 P CA -0.522 62.572 63.100 -0.010 0.000 0.784 45 P CB 0.913 32.609 31.700 -0.007 0.000 0.923 46 K N 2.753 123.164 120.400 0.017 0.000 2.206 46 K HA 0.386 4.706 4.320 -0.000 0.000 0.268 46 K C -0.145 176.478 176.600 0.037 0.000 1.111 46 K CA -0.182 56.120 56.287 0.025 0.000 0.955 46 K CB -0.079 32.442 32.500 0.035 0.000 1.406 46 K HN 0.429 nan 8.250 nan 0.000 0.427 47 L N 1.201 122.441 121.223 0.029 0.000 2.333 47 L HA 0.355 4.695 4.340 -0.000 0.000 0.263 47 L C 1.401 178.294 176.870 0.037 0.000 1.014 47 L CA -1.090 53.773 54.840 0.038 0.000 0.820 47 L CB 1.301 43.375 42.059 0.026 0.000 1.352 47 L HN 0.300 nan 8.230 nan 0.000 0.421 48 K N 0.778 121.205 120.400 0.046 0.000 2.063 48 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 48 K C 1.121 177.743 176.600 0.036 0.000 1.048 48 K CA 1.824 58.135 56.287 0.040 0.000 0.928 48 K CB 0.049 32.580 32.500 0.052 0.000 0.713 48 K HN 0.620 nan 8.250 nan 0.000 0.442 49 D N 0.603 121.030 120.400 0.044 0.000 2.218 49 D HA -0.132 4.508 4.640 -0.000 0.000 0.204 49 D C 1.879 178.209 176.300 0.050 0.000 0.976 49 D CA 0.574 54.607 54.000 0.056 0.000 0.853 49 D CB 0.057 40.901 40.800 0.073 0.000 0.939 49 D HN 0.175 nan 8.370 nan 0.000 0.481 50 I N 1.483 122.070 120.570 0.029 0.000 2.315 50 I HA -0.172 3.997 4.170 -0.000 0.000 0.248 50 I C 1.770 177.883 176.117 -0.007 0.000 1.117 50 I CA 1.048 62.349 61.300 0.001 0.000 1.404 50 I CB -0.803 37.191 38.000 -0.009 0.000 1.071 50 I HN -0.060 nan 8.210 nan 0.000 0.419 51 D N 0.765 121.169 120.400 0.006 0.000 2.097 51 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 51 D C 2.117 178.418 176.300 0.001 0.000 0.989 51 D CA 1.702 55.704 54.000 0.003 0.000 0.827 51 D CB -0.318 40.488 40.800 0.010 0.000 0.966 51 D HN 0.257 nan 8.370 nan 0.000 0.456 52 T N 0.503 115.065 114.554 0.013 0.000 2.759 52 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 52 T C 2.020 176.735 174.700 0.025 0.000 1.042 52 T CA 1.532 63.644 62.100 0.020 0.000 1.140 52 T CB -0.402 68.486 68.868 0.033 0.000 0.864 52 T HN 0.148 nan 8.240 nan 0.000 0.455 53 T N 2.085 116.646 114.554 0.011 0.000 2.777 53 T HA 0.043 4.393 4.350 -0.000 0.000 0.266 53 T C 2.053 176.681 174.700 -0.119 0.000 1.040 53 T CA 1.027 63.087 62.100 -0.067 0.000 1.141 53 T CB -0.323 68.451 68.868 -0.158 0.000 0.868 53 T HN 0.334 nan 8.240 nan 0.000 0.444 54 M N 0.716 120.267 119.600 -0.082 0.000 2.159 54 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 54 M C 2.340 178.617 176.300 -0.038 0.000 1.063 54 M CA 1.393 56.654 55.300 -0.064 0.000 1.110 54 M CB -0.281 32.299 32.600 -0.033 0.000 1.374 54 M HN 0.055 nan 8.290 nan 0.000 0.411 55 K N 1.366 121.753 120.400 -0.021 0.000 2.026 55 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 55 K C 1.684 178.282 176.600 -0.004 0.000 1.048 55 K CA 1.417 57.699 56.287 -0.008 0.000 0.929 55 K CB -0.669 31.831 32.500 -0.002 0.000 0.713 55 K HN 0.337 nan 8.250 nan 0.000 0.439 56 L N 0.302 121.531 121.223 0.010 0.000 2.017 56 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 56 L C 2.136 179.014 176.870 0.013 0.000 1.073 56 L CA 1.348 56.211 54.840 0.039 0.000 0.745 56 L CB -0.231 41.897 42.059 0.116 0.000 0.894 56 L HN 0.266 nan 8.230 nan 0.000 0.432 57 L N -0.696 120.508 121.223 -0.033 0.000 2.042 57 L HA -0.232 4.107 4.340 -0.000 0.000 0.210 57 L C 2.497 179.344 176.870 -0.038 0.000 1.076 57 L CA 1.856 56.668 54.840 -0.047 0.000 0.749 57 L CB -0.938 41.066 42.059 -0.093 0.000 0.893 57 L HN 0.307 nan 8.230 nan 0.000 0.432 58 T N -1.371 113.165 114.554 -0.031 0.000 2.821 58 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 58 T C 1.901 176.580 174.700 -0.035 0.000 1.046 58 T CA 0.911 62.995 62.100 -0.027 0.000 1.139 58 T CB -0.096 68.762 68.868 -0.017 0.000 0.871 58 T HN 0.270 nan 8.240 nan 0.000 0.454 59 Q N 0.587 120.370 119.800 -0.028 0.000 2.291 59 Q HA 0.087 4.427 4.340 -0.000 0.000 0.206 59 Q C 2.014 177.975 176.000 -0.066 0.000 0.976 59 Q CA 0.804 56.588 55.803 -0.030 0.000 0.875 59 Q CB -0.328 28.407 28.738 -0.006 0.000 0.927 59 Q HN 0.518 nan 8.270 nan 0.000 0.450 60 L N -1.037 120.135 121.223 -0.085 0.000 2.591 60 L HA 0.124 4.464 4.340 -0.000 0.000 0.228 60 L C 1.078 177.819 176.870 -0.214 0.000 1.133 60 L CA 0.503 55.240 54.840 -0.172 0.000 0.880 60 L CB -0.062 41.908 42.059 -0.148 0.000 1.033 60 L HN 0.297 nan 8.230 nan 0.000 0.450 61 G N -0.203 108.518 108.800 -0.133 0.000 2.141 61 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.231 61 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.231 61 G C 0.292 175.148 174.900 -0.074 0.000 0.984 61 G CA 0.113 45.145 45.100 -0.114 0.000 0.660 61 G HN 0.251 nan 8.290 nan 0.000 0.525 62 T N 0.955 115.475 114.554 -0.056 0.000 2.913 62 T HA 0.502 4.852 4.350 -0.000 0.000 0.287 62 T C 0.421 175.119 174.700 -0.005 0.000 1.008 62 T CA 0.006 62.094 62.100 -0.019 0.000 1.067 62 T CB 1.050 69.911 68.868 -0.011 0.000 0.996 62 T HN 0.269 nan 8.240 nan 0.000 0.513 63 K N 2.084 122.493 120.400 0.016 0.000 2.253 63 K HA 0.581 4.901 4.320 -0.000 0.000 0.277 63 K C -1.160 175.467 176.600 0.045 0.000 1.053 63 K CA -0.524 55.777 56.287 0.024 0.000 0.892 63 K CB 1.166 33.683 32.500 0.028 0.000 1.102 63 K HN 0.229 nan 8.250 nan 0.000 0.469 64 V N 3.807 123.746 119.914 0.041 0.000 2.638 64 V HA 0.370 4.490 4.120 -0.000 0.000 0.306 64 V C -0.564 175.579 176.094 0.081 0.000 1.052 64 V CA -0.850 61.488 62.300 0.062 0.000 0.885 64 V CB 1.870 33.707 31.823 0.023 0.000 0.999 64 V HN 0.836 nan 8.190 nan 0.000 0.424 65 E N 4.440 124.730 120.200 0.151 0.000 2.413 65 E HA 0.752 5.102 4.350 -0.000 0.000 0.277 65 E C -1.169 175.619 176.600 0.313 0.000 0.958 65 E CA -1.165 55.339 56.400 0.175 0.000 0.779 65 E CB 3.320 33.092 29.700 0.119 0.000 1.278 65 E HN 0.781 nan 8.360 nan 0.000 0.456 66 R N -0.439 120.227 120.500 0.277 0.000 2.766 66 R HA 0.441 4.781 4.340 -0.000 0.000 0.270 66 R C -0.458 176.023 176.300 0.302 0.000 1.035 66 R CA -0.469 55.814 56.100 0.305 0.000 0.911 66 R CB 0.519 30.882 30.300 0.105 0.000 1.243 66 R HN 0.419 nan 8.270 nan 0.000 0.460 67 D N 0.483 121.047 120.400 0.273 0.000 2.099 67 D HA 0.064 4.704 4.640 -0.000 0.000 0.278 67 D C 1.422 177.787 176.300 0.108 0.000 1.140 67 D CA 0.990 55.114 54.000 0.207 0.000 0.894 67 D CB -1.031 39.894 40.800 0.208 0.000 0.945 67 D HN 0.614 nan 8.370 nan 0.000 0.338 68 G N -0.981 107.845 108.800 0.044 0.000 2.603 68 G HA2 0.146 4.106 3.960 -0.000 0.000 0.214 68 G HA3 0.146 4.106 3.960 -0.000 0.000 0.214 68 G C 0.544 175.362 174.900 -0.137 0.000 1.140 68 G CA 0.238 45.319 45.100 -0.031 0.000 0.800 68 G HN 0.364 nan 8.290 nan 0.000 0.533 69 S N -1.070 114.458 115.700 -0.286 0.000 2.722 69 S HA 0.642 5.112 4.470 -0.000 0.000 0.292 69 S C -0.743 173.472 174.600 -0.641 0.000 1.135 69 S CA -0.480 57.361 58.200 -0.597 0.000 1.003 69 S CB 2.355 64.919 63.200 -1.060 0.000 1.067 69 S HN -0.041 nan 8.310 nan 0.000 0.546 70 V N 1.871 121.425 119.914 -0.599 0.000 2.444 70 V HA 0.358 4.478 4.120 -0.000 0.000 0.294 70 V C -0.998 174.881 176.094 -0.359 0.000 1.022 70 V CA -0.637 61.474 62.300 -0.315 0.000 0.850 70 V CB 1.117 32.834 31.823 -0.177 0.000 0.992 70 V HN 0.777 nan 8.190 nan 0.000 0.426 71 W N 5.413 126.711 121.300 -0.004 0.000 2.390 71 W HA 0.611 5.270 4.660 -0.000 0.000 0.312 71 W C -0.786 175.736 176.519 0.004 0.000 1.123 71 W CA -0.605 56.745 57.345 0.008 0.000 1.202 71 W CB 1.743 31.208 29.460 0.010 0.000 1.251 71 W HN 0.296 nan 8.180 nan 0.000 0.511 72 I N 3.058 123.736 120.570 0.180 0.000 2.498 72 I HA 0.116 4.286 4.170 -0.000 0.000 0.290 72 I C -0.561 175.630 176.117 0.124 0.000 1.032 72 I CA -0.657 60.713 61.300 0.117 0.000 1.073 72 I CB 1.835 39.873 38.000 0.063 0.000 1.251 72 I HN 0.284 nan 8.210 nan 0.000 0.426 73 D N 5.519 125.978 120.400 0.100 0.000 2.446 73 D HA 0.507 5.147 4.640 -0.000 0.000 0.251 73 D C 0.047 176.392 176.300 0.075 0.000 1.137 73 D CA -0.305 53.748 54.000 0.087 0.000 0.890 73 D CB 1.559 42.404 40.800 0.074 0.000 1.071 73 D HN 0.606 nan 8.370 nan 0.000 0.528 74 A N 2.631 125.505 122.820 0.090 0.000 2.577 74 A HA 0.172 4.491 4.320 -0.000 0.000 0.280 74 A C 1.736 179.400 177.584 0.133 0.000 1.331 74 A CA 0.227 52.327 52.037 0.106 0.000 0.935 74 A CB -0.319 18.762 19.000 0.134 0.000 1.082 74 A HN 0.473 nan 8.150 nan 0.000 0.525 75 S N 0.068 115.830 115.700 0.102 0.000 2.400 75 S HA -0.107 4.363 4.470 -0.000 0.000 0.232 75 S C 0.785 175.464 174.600 0.132 0.000 1.025 75 S CA 1.016 59.279 58.200 0.105 0.000 0.993 75 S CB -0.261 62.983 63.200 0.072 0.000 0.808 75 S HN 0.616 nan 8.310 nan 0.000 0.478 76 N N 0.257 119.017 118.700 0.100 0.000 2.352 76 N HA 0.389 5.128 4.740 -0.000 0.000 0.291 76 N C -2.025 173.486 175.510 0.002 0.000 1.040 76 N CA -0.385 52.714 53.050 0.081 0.000 0.864 76 N CB 2.381 40.895 38.487 0.045 0.000 1.440 76 N HN 0.037 nan 8.380 nan 0.000 0.483 77 V N 3.796 123.659 119.914 -0.085 0.000 2.398 77 V HA 0.200 4.320 4.120 -0.000 0.000 0.286 77 V C 1.036 176.865 176.094 -0.441 0.000 1.026 77 V CA -0.612 61.469 62.300 -0.364 0.000 0.868 77 V CB 1.376 32.729 31.823 -0.784 0.000 0.982 77 V HN 0.742 nan 8.190 nan 0.000 0.443 78 N N 4.173 122.637 118.700 -0.393 0.000 2.392 78 N HA 0.068 4.807 4.740 -0.000 0.000 0.177 78 N C 0.260 175.526 175.510 -0.407 0.000 1.066 78 N CA 0.460 53.329 53.050 -0.301 0.000 0.895 78 N CB 0.271 38.658 38.487 -0.167 0.000 0.988 78 N HN 0.703 nan 8.380 nan 0.000 0.457 79 N N -1.245 117.046 118.700 -0.682 0.000 2.708 79 N HA 0.266 5.005 4.740 -0.000 0.000 0.257 79 N C -1.693 173.254 175.510 -0.938 0.000 1.373 79 N CA -0.513 52.181 53.050 -0.594 0.000 0.843 79 N CB 0.523 38.870 38.487 -0.233 0.000 1.503 79 N HN -0.060 nan 8.380 nan 0.000 0.504 80 F N -0.507 119.380 119.950 -0.105 0.000 2.814 80 F HA 0.443 4.970 4.527 -0.000 0.000 0.326 80 F C 0.182 175.949 175.800 -0.054 0.000 1.159 80 F CA -0.243 57.703 58.000 -0.091 0.000 1.234 80 F CB 0.706 39.643 39.000 -0.106 0.000 1.016 80 F HN 0.049 nan 8.300 nan 0.000 0.510 81 S N 0.914 116.645 115.700 0.052 0.000 2.513 81 S HA 0.805 5.275 4.470 -0.000 0.000 0.299 81 S C -0.309 174.367 174.600 0.126 0.000 1.087 81 S CA -0.714 57.516 58.200 0.050 0.000 1.012 81 S CB 1.938 65.118 63.200 -0.033 0.000 1.044 81 S HN 0.133 nan 8.310 nan 0.000 0.485 82 A N 4.293 127.246 122.820 0.221 0.000 2.536 82 A HA 0.630 4.950 4.320 -0.000 0.000 0.329 82 A C -2.565 175.189 177.584 0.285 0.000 1.321 82 A CA -1.725 50.435 52.037 0.205 0.000 0.804 82 A CB 0.058 19.161 19.000 0.171 0.000 1.126 82 A HN 0.500 nan 8.150 nan 0.000 0.480 83 P HA -0.072 nan 4.420 nan 0.000 0.271 83 P C 0.444 177.781 177.300 0.062 0.000 1.244 83 P CA -0.026 63.179 63.100 0.175 0.000 0.793 83 P CB 0.676 32.483 31.700 0.178 0.000 0.984 84 Y N 1.220 121.431 120.300 -0.148 0.000 2.151 84 Y HA -0.272 4.277 4.550 -0.001 0.000 0.284 84 Y C 1.857 177.719 175.900 -0.063 0.000 1.166 84 Y CA 2.297 60.321 58.100 -0.127 0.000 1.163 84 Y CB -0.941 37.424 38.460 -0.158 0.000 0.974 84 Y HN 0.250 nan 8.280 nan 0.000 0.511 85 D N -0.001 120.390 120.400 -0.015 0.000 2.228 85 D HA -0.198 4.441 4.640 -0.000 0.000 0.203 85 D C 2.092 178.315 176.300 -0.128 0.000 0.988 85 D CA 1.433 55.383 54.000 -0.082 0.000 0.864 85 D CB -0.242 40.561 40.800 0.006 0.000 0.928 85 D HN 0.422 nan 8.370 nan 0.000 0.469 86 L N -0.444 120.724 121.223 -0.091 0.000 2.194 86 L HA -0.041 4.299 4.340 -0.000 0.000 0.197 86 L C 2.428 179.236 176.870 -0.103 0.000 1.106 86 L CA 0.204 55.006 54.840 -0.063 0.000 0.785 86 L CB -0.376 41.686 42.059 0.006 0.000 0.960 86 L HN -0.153 nan 8.230 nan 0.000 0.465 87 V N 1.288 121.143 119.914 -0.098 0.000 2.439 87 V HA -0.350 3.769 4.120 -0.000 0.000 0.253 87 V C 2.455 178.431 176.094 -0.196 0.000 1.074 87 V CA 2.338 64.571 62.300 -0.112 0.000 1.076 87 V CB -1.104 30.674 31.823 -0.074 0.000 0.664 87 V HN 0.590 nan 8.190 nan 0.000 0.461 88 K N 1.321 121.497 120.400 -0.373 0.000 2.360 88 K HA -0.177 4.143 4.320 -0.000 0.000 0.201 88 K C 1.704 178.169 176.600 -0.226 0.000 1.046 88 K CA 1.809 57.846 56.287 -0.418 0.000 0.945 88 K CB -0.578 31.437 32.500 -0.808 0.000 0.750 88 K HN 0.640 nan 8.250 nan 0.000 0.464 89 T N -2.356 112.095 114.554 -0.171 0.000 3.044 89 T HA 0.183 4.533 4.350 -0.000 0.000 0.250 89 T C 0.669 175.334 174.700 -0.057 0.000 1.081 89 T CA -0.344 61.696 62.100 -0.101 0.000 1.040 89 T CB 0.098 68.913 68.868 -0.090 0.000 0.962 89 T HN 0.253 nan 8.240 nan 0.000 0.506 90 M N 2.160 121.722 119.600 -0.063 0.000 2.210 90 M HA 0.372 4.851 4.480 -0.000 0.000 0.235 90 M C 0.489 176.742 176.300 -0.078 0.000 0.974 90 M CA -0.696 54.581 55.300 -0.038 0.000 1.043 90 M CB 1.335 33.948 32.600 0.022 0.000 2.331 90 M HN 0.142 nan 8.290 nan 0.000 0.452 91 R N 2.069 122.497 120.500 -0.120 0.000 2.193 91 R HA 0.062 4.402 4.340 -0.000 0.000 0.229 91 R C 1.304 177.430 176.300 -0.291 0.000 1.110 91 R CA 1.586 57.578 56.100 -0.180 0.000 0.988 91 R CB -0.552 29.642 30.300 -0.176 0.000 0.871 91 R HN 0.625 nan 8.270 nan 0.000 0.458 92 A N 1.141 123.786 122.820 -0.292 0.000 2.131 92 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 92 A C 1.991 179.270 177.584 -0.508 0.000 1.158 92 A CA 1.509 53.251 52.037 -0.492 0.000 0.665 92 A CB -0.551 18.337 19.000 -0.186 0.000 0.795 92 A HN 0.430 nan 8.150 nan 0.000 0.460 93 S N -0.468 115.069 115.700 -0.272 0.000 2.465 93 S HA -0.155 4.314 4.470 -0.000 0.000 0.241 93 S C 1.626 176.019 174.600 -0.345 0.000 1.000 93 S CA 1.160 59.222 58.200 -0.230 0.000 0.964 93 S CB -0.422 62.779 63.200 0.001 0.000 0.763 93 S HN 0.597 nan 8.310 nan 0.000 0.512 94 I N 0.832 121.173 120.570 -0.381 0.000 2.530 94 I HA -0.102 4.068 4.170 -0.000 0.000 0.257 94 I C 1.302 177.284 176.117 -0.224 0.000 1.179 94 I CA 0.840 61.952 61.300 -0.313 0.000 1.440 94 I CB -0.388 37.335 38.000 -0.461 0.000 1.087 94 I HN 0.389 nan 8.210 nan 0.000 0.440 95 W N 0.447 121.455 121.300 -0.488 0.000 2.848 95 W HA 0.094 4.754 4.660 -0.000 0.000 0.241 95 W C 2.247 178.567 176.519 -0.331 0.000 1.289 95 W CA 0.703 57.782 57.345 -0.443 0.000 1.396 95 W CB -1.157 27.945 29.460 -0.597 0.000 1.138 95 W HN 0.303 nan 8.180 nan 0.000 0.677 96 A N -0.617 122.154 122.820 -0.083 0.000 2.030 96 A HA -0.023 4.296 4.320 -0.000 0.000 0.215 96 A C 1.928 179.637 177.584 0.208 0.000 1.164 96 A CA 0.531 52.705 52.037 0.229 0.000 0.697 96 A CB -0.488 18.695 19.000 0.305 0.000 0.827 96 A HN 0.113 nan 8.150 nan 0.000 0.457 97 L N 0.390 121.699 121.223 0.144 0.000 1.970 97 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 97 L C 2.469 179.437 176.870 0.163 0.000 1.071 97 L CA 2.408 57.336 54.840 0.145 0.000 0.751 97 L CB -1.104 41.019 42.059 0.108 0.000 0.889 97 L HN 0.324 nan 8.230 nan 0.000 0.432 98 G N -0.800 108.103 108.800 0.172 0.000 2.491 98 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 98 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 98 G C -0.647 174.341 174.900 0.146 0.000 1.180 98 G CA 1.029 46.219 45.100 0.151 0.000 0.774 98 G HN 0.374 nan 8.290 nan 0.000 0.562 99 P HA -0.019 nan 4.420 nan 0.000 0.216 99 P C 2.137 179.583 177.300 0.242 0.000 1.153 99 P CA 0.677 63.889 63.100 0.186 0.000 0.848 99 P CB -0.108 31.730 31.700 0.229 0.000 0.787 100 L N -1.033 120.377 121.223 0.311 0.000 2.017 100 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 100 L C 2.461 179.542 176.870 0.351 0.000 1.073 100 L CA 1.392 56.502 54.840 0.449 0.000 0.745 100 L CB -1.149 41.145 42.059 0.392 0.000 0.894 100 L HN -0.087 nan 8.230 nan 0.000 0.432 101 V N -0.280 119.752 119.914 0.197 0.000 2.548 101 V HA -0.157 3.962 4.120 -0.000 0.000 0.249 101 V C 2.507 178.643 176.094 0.071 0.000 1.055 101 V CA 1.620 63.986 62.300 0.110 0.000 1.065 101 V CB 0.093 31.960 31.823 0.072 0.000 0.681 101 V HN 0.403 nan 8.190 nan 0.000 0.462 102 A N 0.033 122.895 122.820 0.070 0.000 1.929 102 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 102 A C 2.423 179.979 177.584 -0.047 0.000 1.176 102 A CA 1.806 53.851 52.037 0.013 0.000 0.628 102 A CB -0.500 18.510 19.000 0.017 0.000 0.816 102 A HN 0.565 nan 8.150 nan 0.000 0.444 103 R N -2.258 118.193 120.500 -0.083 0.000 2.156 103 R HA 0.134 4.473 4.340 -0.000 0.000 0.207 103 R C 0.628 176.624 176.300 -0.507 0.000 1.040 103 R CA 0.896 56.786 56.100 -0.351 0.000 1.013 103 R CB 0.010 29.974 30.300 -0.560 0.000 0.931 103 R HN 0.481 nan 8.270 nan 0.000 0.465 104 F N -1.167 118.798 119.950 0.024 0.000 2.706 104 F HA 0.403 4.930 4.527 -0.000 0.000 0.313 104 F C 1.262 176.963 175.800 -0.164 0.000 1.096 104 F CA 0.300 58.265 58.000 -0.058 0.000 1.219 104 F CB 1.454 40.421 39.000 -0.056 0.000 1.051 104 F HN 0.218 nan 8.300 nan 0.000 0.568 105 G N 1.212 110.032 108.800 0.033 0.000 2.179 105 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.260 105 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.260 105 G C 0.001 174.864 174.900 -0.061 0.000 0.977 105 G CA 0.408 45.493 45.100 -0.025 0.000 0.641 105 G HN 0.527 nan 8.290 nan 0.000 0.533 106 Q N -1.764 117.989 119.800 -0.079 0.000 2.472 106 Q HA 0.644 4.984 4.340 -0.000 0.000 0.281 106 Q C -0.538 175.454 176.000 -0.013 0.000 0.997 106 Q CA -0.652 55.085 55.803 -0.109 0.000 0.828 106 Q CB 1.747 30.337 28.738 -0.247 0.000 1.443 106 Q HN 1.579 nan 8.270 nan 0.000 0.390 107 G N 1.291 110.112 108.800 0.035 0.000 2.716 107 G HA2 0.468 4.427 3.960 -0.000 0.000 0.299 107 G HA3 0.468 4.427 3.960 -0.000 0.000 0.299 107 G C -1.892 173.042 174.900 0.058 0.000 1.450 107 G CA -0.571 44.599 45.100 0.118 0.000 0.968 107 G HN 0.432 nan 8.290 nan 0.000 0.566 108 Q N 0.715 120.542 119.800 0.045 0.000 2.275 108 Q HA 0.568 4.908 4.340 -0.000 0.000 0.266 108 Q C -1.128 174.936 176.000 0.107 0.000 1.002 108 Q CA -0.807 54.975 55.803 -0.036 0.000 0.761 108 Q CB 3.195 31.727 28.738 -0.343 0.000 1.255 108 Q HN 0.389 nan 8.270 nan 0.000 0.446 109 V N 1.176 121.223 119.914 0.221 0.000 2.656 109 V HA 0.326 4.446 4.120 -0.000 0.000 0.307 109 V C 0.053 176.336 176.094 0.316 0.000 1.051 109 V CA -0.745 61.712 62.300 0.261 0.000 0.893 109 V CB 2.036 33.928 31.823 0.115 0.000 0.999 109 V HN 0.764 nan 8.190 nan 0.000 0.426 110 S N 3.478 119.309 115.700 0.218 0.000 2.525 110 S HA 0.179 4.649 4.470 -0.000 0.000 0.285 110 S C -0.188 174.435 174.600 0.039 0.000 1.283 110 S CA -0.423 57.789 58.200 0.020 0.000 1.072 110 S CB -0.039 63.148 63.200 -0.023 0.000 0.867 110 S HN 0.596 nan 8.310 nan 0.000 0.492 111 L N 8.883 130.123 121.223 0.029 0.000 2.562 111 L HA 0.318 4.658 4.340 -0.000 0.000 0.271 111 L C -2.179 174.694 176.870 0.005 0.000 1.167 111 L CA -1.088 53.758 54.840 0.009 0.000 0.917 111 L CB -0.268 41.797 42.059 0.011 0.000 1.187 111 L HN 0.459 nan 8.230 nan 0.000 0.482 112 P HA 0.147 nan 4.420 nan 0.000 0.265 112 P C 0.120 177.416 177.300 -0.007 0.000 1.187 112 P CA 0.126 63.203 63.100 -0.039 0.000 0.766 112 P CB 0.515 32.155 31.700 -0.099 0.000 0.820 113 G N 1.505 110.317 108.800 0.020 0.000 2.582 113 G HA2 0.498 4.458 3.960 -0.000 0.000 0.232 113 G HA3 0.498 4.458 3.960 -0.000 0.000 0.232 113 G C 0.099 175.001 174.900 0.004 0.000 1.458 113 G CA -0.398 44.720 45.100 0.031 0.000 1.062 113 G HN 0.631 nan 8.290 nan 0.000 0.566 114 G N -0.974 107.832 108.800 0.009 0.000 2.527 114 G HA2 0.412 4.372 3.960 -0.000 0.000 0.248 114 G HA3 0.412 4.372 3.960 -0.000 0.000 0.248 114 G C -0.025 174.867 174.900 -0.013 0.000 1.231 114 G CA 0.509 45.608 45.100 -0.001 0.000 0.838 114 G HN 0.680 nan 8.290 nan 0.000 0.570 115 S N -0.378 115.306 115.700 -0.027 0.000 2.664 115 S HA 0.580 5.049 4.470 -0.000 0.000 0.304 115 S C 1.517 176.084 174.600 -0.054 0.000 1.099 115 S CA 0.191 58.360 58.200 -0.052 0.000 1.003 115 S CB 1.523 64.667 63.200 -0.093 0.000 1.092 115 S HN 1.091 nan 8.310 nan 0.000 0.525 116 A N 2.155 124.935 122.820 -0.066 0.000 1.902 116 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 116 A C 1.763 179.291 177.584 -0.094 0.000 1.181 116 A CA 1.803 53.801 52.037 -0.064 0.000 0.623 116 A CB -0.973 17.984 19.000 -0.072 0.000 0.818 116 A HN 1.005 nan 8.150 nan 0.000 0.443 117 I N -4.393 116.077 120.570 -0.167 0.000 3.810 117 I HA 0.537 4.707 4.170 -0.000 0.000 0.322 117 I C 0.624 176.674 176.117 -0.111 0.000 1.288 117 I CA 0.305 61.489 61.300 -0.193 0.000 1.143 117 I CB -0.360 37.404 38.000 -0.395 0.000 1.012 117 I HN 0.295 nan 8.210 nan 0.000 0.423 118 G N 0.151 108.918 108.800 -0.054 0.000 2.339 118 G HA2 0.338 4.298 3.960 -0.000 0.000 0.302 118 G HA3 0.338 4.298 3.960 -0.000 0.000 0.302 118 G C 0.073 174.992 174.900 0.031 0.000 1.425 118 G CA -0.308 44.815 45.100 0.038 0.000 0.899 118 G HN 0.059 nan 8.290 nan 0.000 0.619 119 A N -0.192 122.656 122.820 0.045 0.000 1.969 119 A HA 0.244 4.563 4.320 -0.000 0.000 0.218 119 A C 1.556 179.161 177.584 0.035 0.000 1.169 119 A CA 1.757 53.812 52.037 0.029 0.000 0.635 119 A CB -0.557 18.458 19.000 0.024 0.000 0.810 119 A HN 1.487 nan 8.150 nan 0.000 0.445 120 R N -0.893 119.654 120.500 0.078 0.000 2.965 120 R HA -0.132 4.208 4.340 -0.000 0.000 0.245 120 R C -2.325 173.996 176.300 0.034 0.000 0.861 120 R CA 0.405 56.559 56.100 0.090 0.000 0.614 120 R CB -1.835 28.519 30.300 0.091 0.000 1.229 120 R HN 0.532 nan 8.270 nan 0.000 0.503 121 P HA 0.052 nan 4.420 nan 0.000 0.273 121 P C 0.562 177.877 177.300 0.025 0.000 1.250 121 P CA -0.124 62.987 63.100 0.017 0.000 0.793 121 P CB 0.833 32.546 31.700 0.021 0.000 1.011 122 V N -2.939 116.980 119.914 0.008 0.000 2.988 122 V HA 0.108 4.228 4.120 -0.000 0.000 0.356 122 V C 1.334 177.514 176.094 0.144 0.000 1.380 122 V CA 0.049 62.363 62.300 0.023 0.000 1.184 122 V CB -0.598 31.074 31.823 -0.251 0.000 1.204 122 V HN 0.498 nan 8.190 nan 0.000 0.530 123 D N 1.284 121.753 120.400 0.115 0.000 2.182 123 D HA -0.246 4.394 4.640 -0.000 0.000 0.201 123 D C 1.705 178.112 176.300 0.177 0.000 0.986 123 D CA 1.491 55.562 54.000 0.118 0.000 0.847 123 D CB 0.000 40.835 40.800 0.057 0.000 0.942 123 D HN 0.551 nan 8.370 nan 0.000 0.467 124 L N -0.155 121.180 121.223 0.185 0.000 2.217 124 L HA -0.066 4.274 4.340 -0.000 0.000 0.211 124 L C 2.712 179.714 176.870 0.220 0.000 1.107 124 L CA 0.705 55.650 54.840 0.174 0.000 0.783 124 L CB -0.548 41.551 42.059 0.065 0.000 0.919 124 L HN 0.115 nan 8.230 nan 0.000 0.442 125 H N -0.053 119.092 119.070 0.125 0.000 2.326 125 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 125 H C 2.441 177.839 175.328 0.117 0.000 1.081 125 H CA 1.472 57.591 56.048 0.119 0.000 1.334 125 H CB 0.187 30.001 29.762 0.087 0.000 1.385 125 H HN 0.303 nan 8.280 nan 0.000 0.504 126 I N 0.518 121.246 120.570 0.262 0.000 2.179 126 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 126 I C 2.540 178.759 176.117 0.171 0.000 1.088 126 I CA 1.183 62.588 61.300 0.175 0.000 1.357 126 I CB -0.333 37.753 38.000 0.144 0.000 1.051 126 I HN 0.080 nan 8.210 nan 0.000 0.409 127 F N 1.790 121.779 119.950 0.065 0.000 2.126 127 F HA -0.165 4.361 4.527 -0.000 0.000 0.299 127 F C 2.273 178.096 175.800 0.038 0.000 1.096 127 F CA 1.784 59.809 58.000 0.042 0.000 1.255 127 F CB -0.818 38.202 39.000 0.032 0.000 0.997 127 F HN -0.013 nan 8.300 nan 0.000 0.479 128 G N 0.648 109.478 108.800 0.049 0.000 2.402 128 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 128 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 128 G C 1.770 176.615 174.900 -0.092 0.000 1.162 128 G CA 0.967 46.026 45.100 -0.069 0.000 0.777 128 G HN 0.436 nan 8.290 nan 0.000 0.539 129 L N 0.021 121.238 121.223 -0.011 0.000 2.141 129 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 129 L C 2.829 179.669 176.870 -0.051 0.000 1.094 129 L CA 1.034 55.871 54.840 -0.005 0.000 0.763 129 L CB -0.364 41.723 42.059 0.048 0.000 0.908 129 L HN 0.308 nan 8.230 nan 0.000 0.437 130 E N -0.133 120.016 120.200 -0.085 0.000 2.106 130 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 130 E C 2.088 178.588 176.600 -0.167 0.000 0.984 130 E CA 0.649 56.987 56.400 -0.104 0.000 0.806 130 E CB 0.147 29.794 29.700 -0.089 0.000 0.750 130 E HN 0.262 nan 8.360 nan 0.000 0.458 131 K N 0.503 120.730 120.400 -0.289 0.000 2.211 131 K HA -0.069 4.250 4.320 -0.000 0.000 0.203 131 K C 1.874 178.388 176.600 -0.144 0.000 1.050 131 K CA 0.682 56.801 56.287 -0.281 0.000 0.945 131 K CB -0.025 32.222 32.500 -0.422 0.000 0.732 131 K HN 0.235 nan 8.250 nan 0.000 0.451 132 L N -0.394 120.765 121.223 -0.107 0.000 2.599 132 L HA 0.044 4.384 4.340 -0.000 0.000 0.230 132 L C 1.147 177.988 176.870 -0.048 0.000 1.141 132 L CA 0.518 55.322 54.840 -0.061 0.000 0.877 132 L CB -0.051 41.984 42.059 -0.040 0.000 1.009 132 L HN 0.379 nan 8.230 nan 0.000 0.447 133 G N -0.504 108.263 108.800 -0.055 0.000 2.184 133 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.206 133 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.206 133 G C 0.351 175.234 174.900 -0.029 0.000 0.995 133 G CA -0.159 44.917 45.100 -0.039 0.000 0.651 133 G HN 0.415 nan 8.290 nan 0.000 0.511 134 A N 0.200 123.005 122.820 -0.026 0.000 2.371 134 A HA 0.642 4.962 4.320 -0.000 0.000 0.257 134 A C 0.333 177.911 177.584 -0.010 0.000 1.089 134 A CA 0.569 52.599 52.037 -0.012 0.000 0.794 134 A CB 0.544 19.546 19.000 0.003 0.000 1.029 134 A HN 0.583 nan 8.150 nan 0.000 0.488 135 E N 1.827 122.024 120.200 -0.004 0.000 2.174 135 E HA 0.476 4.826 4.350 -0.000 0.000 0.282 135 E C -1.083 175.523 176.600 0.010 0.000 0.992 135 E CA -0.488 55.912 56.400 -0.000 0.000 0.803 135 E CB 0.563 30.261 29.700 -0.003 0.000 1.090 135 E HN 0.506 nan 8.360 nan 0.000 0.396 136 I N 4.097 124.678 120.570 0.019 0.000 2.509 136 I HA 0.387 4.556 4.170 -0.000 0.000 0.293 136 I C -0.302 175.834 176.117 0.032 0.000 1.020 136 I CA -0.754 60.564 61.300 0.030 0.000 1.088 136 I CB 1.612 39.638 38.000 0.044 0.000 1.267 136 I HN 0.557 nan 8.210 nan 0.000 0.430 137 K N 4.803 125.224 120.400 0.035 0.000 2.435 137 K HA 0.641 4.961 4.320 -0.000 0.000 0.251 137 K C -1.432 175.200 176.600 0.053 0.000 0.954 137 K CA -0.946 55.363 56.287 0.037 0.000 0.820 137 K CB 3.059 35.576 32.500 0.029 0.000 1.292 137 K HN 0.268 nan 8.250 nan 0.000 0.436 138 L N 2.269 123.523 121.223 0.052 0.000 2.316 138 L HA 0.322 4.661 4.340 -0.000 0.000 0.280 138 L C -1.315 175.593 176.870 0.063 0.000 1.006 138 L CA 0.129 55.007 54.840 0.064 0.000 0.836 138 L CB 0.800 42.887 42.059 0.048 0.000 1.221 138 L HN 0.706 nan 8.230 nan 0.000 0.418 139 E N 3.217 123.473 120.200 0.094 0.000 2.278 139 E HA 0.415 4.765 4.350 -0.000 0.000 0.272 139 E C -0.824 175.847 176.600 0.119 0.000 0.890 139 E CA -0.701 55.749 56.400 0.084 0.000 0.770 139 E CB 1.181 30.924 29.700 0.072 0.000 1.212 139 E HN 0.577 nan 8.360 nan 0.000 0.415 140 E N 1.496 121.729 120.200 0.056 0.000 2.476 140 E HA -0.282 4.067 4.350 -0.000 0.000 0.251 140 E C 0.610 177.174 176.600 -0.060 0.000 1.130 140 E CA 0.645 57.054 56.400 0.015 0.000 0.736 140 E CB -1.600 28.137 29.700 0.063 0.000 1.298 140 E HN 1.197 nan 8.360 nan 0.000 0.400 141 G N -0.982 107.789 108.800 -0.049 0.000 2.148 141 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.254 141 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.254 141 G C -0.180 174.671 174.900 -0.083 0.000 0.981 141 G CA 0.599 45.637 45.100 -0.102 0.000 0.670 141 G HN 0.434 nan 8.290 nan 0.000 0.528 142 Y N -0.712 119.596 120.300 0.013 0.000 2.360 142 Y HA 0.507 5.056 4.550 -0.000 0.000 0.337 142 Y C 0.551 176.464 175.900 0.021 0.000 1.039 142 Y CA -1.215 56.901 58.100 0.026 0.000 1.109 142 Y CB 2.151 40.629 38.460 0.029 0.000 1.201 142 Y HN 0.014 nan 8.280 nan 0.000 0.458 143 V N 5.440 125.500 119.914 0.244 0.000 2.334 143 V HA 0.197 4.317 4.120 -0.000 0.000 0.267 143 V C -0.455 175.707 176.094 0.113 0.000 1.040 143 V CA -0.807 61.572 62.300 0.132 0.000 0.866 143 V CB 0.307 32.185 31.823 0.091 0.000 1.019 143 V HN 0.628 nan 8.190 nan 0.000 0.468 144 K N 4.217 124.661 120.400 0.072 0.000 2.263 144 K HA 0.755 5.075 4.320 -0.000 0.000 0.272 144 K C -0.177 176.435 176.600 0.019 0.000 1.033 144 K CA -0.204 56.093 56.287 0.017 0.000 0.884 144 K CB 1.992 34.485 32.500 -0.012 0.000 1.107 144 K HN 0.709 nan 8.250 nan 0.000 0.460 145 A N 2.040 124.871 122.820 0.018 0.000 2.337 145 A HA 0.717 5.037 4.320 -0.000 0.000 0.329 145 A C -0.511 177.074 177.584 0.001 0.000 1.146 145 A CA -0.577 51.473 52.037 0.021 0.000 0.800 145 A CB 1.042 20.068 19.000 0.043 0.000 1.220 145 A HN 0.709 nan 8.150 nan 0.000 0.472 146 S N -0.123 115.574 115.700 -0.005 0.000 2.565 146 S HA 0.755 5.225 4.470 -0.000 0.000 0.269 146 S C -1.317 173.273 174.600 -0.017 0.000 1.153 146 S CA -0.491 57.697 58.200 -0.021 0.000 0.835 146 S CB 1.306 64.486 63.200 -0.032 0.000 1.122 146 S HN 2.127 nan 8.310 nan 0.000 0.462 147 V N 1.239 121.139 119.914 -0.024 0.000 2.950 147 V HA 0.482 4.602 4.120 -0.000 0.000 0.295 147 V C -1.829 174.249 176.094 -0.026 0.000 1.297 147 V CA -0.723 61.564 62.300 -0.021 0.000 0.962 147 V CB 1.964 33.777 31.823 -0.017 0.000 1.081 147 V HN 1.075 nan 8.190 nan 0.000 0.432 148 N N 5.147 123.833 118.700 -0.024 0.000 2.406 148 N HA 0.616 5.356 4.740 -0.000 0.000 0.251 148 N C 0.352 175.848 175.510 -0.023 0.000 1.069 148 N CA 0.410 53.445 53.050 -0.024 0.000 0.947 148 N CB 1.330 39.805 38.487 -0.021 0.000 1.111 148 N HN 1.363 nan 8.380 nan 0.000 0.497 149 G N 1.841 110.625 108.800 -0.026 0.000 2.568 149 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.222 149 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.222 149 G C -0.539 174.343 174.900 -0.030 0.000 1.321 149 G CA -0.762 44.322 45.100 -0.026 0.000 0.893 149 G HN 0.538 nan 8.290 nan 0.000 0.569 150 R N -0.615 119.867 120.500 -0.031 0.000 2.531 150 R HA 0.574 4.914 4.340 -0.000 0.000 0.273 150 R C 0.898 177.181 176.300 -0.029 0.000 1.070 150 R CA -0.616 55.464 56.100 -0.034 0.000 1.112 150 R CB 0.496 30.774 30.300 -0.036 0.000 1.049 150 R HN 0.463 nan 8.270 nan 0.000 0.508 151 L N 1.747 122.954 121.223 -0.028 0.000 2.474 151 L HA 0.169 4.509 4.340 -0.000 0.000 0.259 151 L C 0.337 177.191 176.870 -0.027 0.000 1.232 151 L CA 0.360 55.185 54.840 -0.025 0.000 0.821 151 L CB 0.276 42.322 42.059 -0.021 0.000 1.108 151 L HN 0.400 nan 8.230 nan 0.000 0.495 152 K N 0.190 120.573 120.400 -0.028 0.000 2.378 152 K HA 0.389 4.709 4.320 -0.000 0.000 0.252 152 K C -0.268 176.316 176.600 -0.027 0.000 0.931 152 K CA -0.735 55.536 56.287 -0.026 0.000 0.794 152 K CB 1.871 34.356 32.500 -0.024 0.000 1.181 152 K HN 0.708 nan 8.250 nan 0.000 0.425 153 G N 0.994 109.779 108.800 -0.025 0.000 2.414 153 G HA2 0.379 4.339 3.960 -0.000 0.000 0.236 153 G HA3 0.379 4.339 3.960 -0.000 0.000 0.236 153 G C -0.617 174.273 174.900 -0.015 0.000 1.293 153 G CA -0.082 45.005 45.100 -0.023 0.000 0.869 153 G HN 0.603 nan 8.290 nan 0.000 0.556 154 A N 1.596 124.412 122.820 -0.007 0.000 2.587 154 A HA 0.648 4.968 4.320 -0.000 0.000 0.293 154 A C -0.898 176.729 177.584 0.071 0.000 1.087 154 A CA -0.738 51.309 52.037 0.017 0.000 0.692 154 A CB 1.091 20.082 19.000 -0.016 0.000 1.291 154 A HN 0.954 nan 8.150 nan 0.000 0.407 155 H N 1.079 120.138 119.070 -0.019 0.000 2.705 155 H HA 0.606 5.162 4.556 -0.000 0.000 0.291 155 H C -0.930 174.402 175.328 0.007 0.000 1.085 155 H CA -0.401 55.645 56.048 -0.003 0.000 1.357 155 H CB 0.212 29.976 29.762 0.003 0.000 1.419 155 H HN 0.481 nan 8.280 nan 0.000 0.462 156 I N 6.192 126.905 120.570 0.238 0.000 2.378 156 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 156 I C -0.599 175.611 176.117 0.154 0.000 0.992 156 I CA -1.007 60.375 61.300 0.138 0.000 1.154 156 I CB 1.896 39.952 38.000 0.093 0.000 1.315 156 I HN 0.299 nan 8.210 nan 0.000 0.448 157 V N 6.608 126.598 119.914 0.126 0.000 2.370 157 V HA 0.351 4.471 4.120 -0.000 0.000 0.283 157 V C 0.335 176.495 176.094 0.110 0.000 1.023 157 V CA -0.595 61.751 62.300 0.077 0.000 0.857 157 V CB 1.452 33.268 31.823 -0.011 0.000 0.985 157 V HN 0.603 nan 8.190 nan 0.000 0.443 158 M N 4.249 123.893 119.600 0.073 0.000 2.105 158 M HA 0.228 4.708 4.480 -0.000 0.000 0.350 158 M C 0.525 176.806 176.300 -0.032 0.000 1.308 158 M CA -0.318 55.000 55.300 0.031 0.000 1.108 158 M CB 0.463 33.083 32.600 0.034 0.000 1.622 158 M HN 0.789 nan 8.290 nan 0.000 0.468 159 D N 1.425 121.766 120.400 -0.098 0.000 2.344 159 D HA 0.129 4.769 4.640 -0.000 0.000 0.242 159 D C -0.164 176.090 176.300 -0.078 0.000 1.159 159 D CA 0.224 54.168 54.000 -0.094 0.000 0.859 159 D CB 0.211 40.931 40.800 -0.134 0.000 0.925 159 D HN 0.418 nan 8.370 nan 0.000 0.510 160 K N -0.571 119.792 120.400 -0.061 0.000 2.578 160 K HA 0.311 4.631 4.320 -0.000 0.000 0.269 160 K C -1.653 174.925 176.600 -0.037 0.000 0.941 160 K CA -0.909 55.346 56.287 -0.053 0.000 0.847 160 K CB 2.772 35.235 32.500 -0.062 0.000 1.397 160 K HN -0.180 nan 8.250 nan 0.000 0.422 161 V N 2.043 121.935 119.914 -0.036 0.000 2.408 161 V HA 0.266 4.386 4.120 -0.000 0.000 0.267 161 V C -0.139 175.938 176.094 -0.027 0.000 1.047 161 V CA -0.091 62.196 62.300 -0.023 0.000 0.937 161 V CB 1.062 32.874 31.823 -0.019 0.000 0.999 161 V HN 0.658 nan 8.190 nan 0.000 0.472 162 S N 4.039 119.732 115.700 -0.013 0.000 2.647 162 S HA 0.417 4.886 4.470 -0.000 0.000 0.300 162 S C 0.546 175.161 174.600 0.026 0.000 1.129 162 S CA -0.596 57.602 58.200 -0.004 0.000 1.029 162 S CB 1.880 65.068 63.200 -0.020 0.000 1.007 162 S HN 0.324 nan 8.310 nan 0.000 0.484 163 V N 5.435 125.389 119.914 0.067 0.000 2.270 163 V HA -0.008 4.112 4.120 -0.000 0.000 0.245 163 V C 2.674 178.894 176.094 0.211 0.000 1.043 163 V CA 2.552 64.925 62.300 0.122 0.000 1.014 163 V CB -1.252 30.667 31.823 0.160 0.000 0.645 163 V HN 0.950 nan 8.190 nan 0.000 0.447 164 G N -0.356 108.609 108.800 0.274 0.000 2.459 164 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.217 164 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.217 164 G C 1.770 176.729 174.900 0.099 0.000 1.183 164 G CA 1.128 46.507 45.100 0.464 0.000 0.776 164 G HN 0.616 nan 8.290 nan 0.000 0.552 165 A N 0.044 122.605 122.820 -0.431 0.000 1.933 165 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 165 A C 2.515 180.008 177.584 -0.152 0.000 1.175 165 A CA 2.400 54.070 52.037 -0.612 0.000 0.628 165 A CB -0.874 17.893 19.000 -0.388 0.000 0.814 165 A HN 0.308 nan 8.150 nan 0.000 0.444 166 T N -0.388 114.140 114.554 -0.045 0.000 2.746 166 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 166 T C 1.857 176.555 174.700 -0.004 0.000 1.039 166 T CA 1.577 63.674 62.100 -0.005 0.000 1.142 166 T CB -0.358 68.515 68.868 0.009 0.000 0.866 166 T HN 0.168 nan 8.240 nan 0.000 0.444 167 V N 1.304 121.226 119.914 0.015 0.000 2.307 167 V HA -0.172 3.947 4.120 -0.000 0.000 0.245 167 V C 2.791 178.861 176.094 -0.040 0.000 1.045 167 V CA 1.915 64.163 62.300 -0.085 0.000 1.024 167 V CB -1.052 30.581 31.823 -0.317 0.000 0.651 167 V HN 0.500 nan 8.190 nan 0.000 0.449 168 T N 0.423 115.042 114.554 0.109 0.000 2.652 168 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 168 T C 1.803 176.551 174.700 0.081 0.000 1.039 168 T CA 1.987 64.192 62.100 0.175 0.000 1.153 168 T CB -0.275 68.780 68.868 0.312 0.000 0.863 168 T HN 0.338 nan 8.240 nan 0.000 0.428 169 I N 0.738 121.334 120.570 0.044 0.000 2.179 169 I HA -0.171 3.999 4.170 -0.000 0.000 0.242 169 I C 2.605 178.727 176.117 0.009 0.000 1.088 169 I CA 1.319 62.634 61.300 0.026 0.000 1.357 169 I CB -0.432 37.580 38.000 0.020 0.000 1.051 169 I HN 0.268 nan 8.210 nan 0.000 0.409 170 M N 0.487 120.084 119.600 -0.004 0.000 2.117 170 M HA -0.211 4.269 4.480 -0.000 0.000 0.262 170 M C 2.426 178.713 176.300 -0.021 0.000 1.065 170 M CA 1.899 57.189 55.300 -0.018 0.000 1.114 170 M CB -0.008 32.573 32.600 -0.030 0.000 1.361 170 M HN 0.118 nan 8.290 nan 0.000 0.408 171 S N 0.776 116.465 115.700 -0.018 0.000 2.355 171 S HA -0.055 4.415 4.470 -0.000 0.000 0.222 171 S C 2.037 176.642 174.600 0.008 0.000 1.031 171 S CA 1.319 59.514 58.200 -0.008 0.000 0.993 171 S CB -0.550 62.648 63.200 -0.002 0.000 0.859 171 S HN 0.694 nan 8.310 nan 0.000 0.453 172 A N 1.522 124.356 122.820 0.024 0.000 1.933 172 A HA 0.159 4.478 4.320 -0.000 0.000 0.218 172 A C 2.307 179.890 177.584 -0.001 0.000 1.175 172 A CA 1.575 53.626 52.037 0.024 0.000 0.628 172 A CB -0.986 18.038 19.000 0.039 0.000 0.814 172 A HN 0.510 nan 8.150 nan 0.000 0.444 173 A N -0.015 122.801 122.820 -0.008 0.000 2.070 173 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 173 A C 2.317 179.883 177.584 -0.030 0.000 1.159 173 A CA 2.260 54.286 52.037 -0.020 0.000 0.656 173 A CB -1.394 17.594 19.000 -0.019 0.000 0.800 173 A HN 0.811 nan 8.150 nan 0.000 0.453 174 T N -2.136 112.397 114.554 -0.035 0.000 2.897 174 T HA -0.035 4.315 4.350 -0.000 0.000 0.271 174 T C 1.306 175.975 174.700 -0.052 0.000 1.084 174 T CA 1.504 63.574 62.100 -0.049 0.000 1.123 174 T CB -0.321 68.511 68.868 -0.060 0.000 0.865 174 T HN 0.344 nan 8.240 nan 0.000 0.496 175 L N 0.208 121.402 121.223 -0.047 0.000 2.808 175 L HA 0.538 4.878 4.340 -0.000 0.000 0.246 175 L C 1.379 178.221 176.870 -0.047 0.000 1.153 175 L CA -0.523 54.285 54.840 -0.054 0.000 0.956 175 L CB -0.165 41.854 42.059 -0.067 0.000 1.270 175 L HN 0.285 nan 8.230 nan 0.000 0.528 176 A N 0.488 123.285 122.820 -0.038 0.000 2.346 176 A HA 0.181 4.500 4.320 -0.000 0.000 0.252 176 A C 0.137 177.700 177.584 -0.035 0.000 1.089 176 A CA -0.140 51.877 52.037 -0.034 0.000 0.797 176 A CB 0.327 19.309 19.000 -0.029 0.000 1.047 176 A HN 0.261 nan 8.150 nan 0.000 0.494 177 E N -0.100 120.081 120.200 -0.032 0.000 2.130 177 E HA 0.468 4.818 4.350 -0.000 0.000 0.284 177 E C 0.550 177.134 176.600 -0.028 0.000 1.018 177 E CA 0.772 57.154 56.400 -0.030 0.000 0.817 177 E CB 0.277 29.961 29.700 -0.027 0.000 1.078 177 E HN 1.398 nan 8.360 nan 0.000 0.396 178 G N 2.805 111.588 108.800 -0.029 0.000 2.500 178 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.209 178 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.209 178 G C -0.588 174.293 174.900 -0.032 0.000 1.283 178 G CA -0.478 44.605 45.100 -0.028 0.000 0.960 178 G HN 0.522 nan 8.290 nan 0.000 0.528 179 T N 1.049 115.583 114.554 -0.034 0.000 2.824 179 T HA 0.701 5.050 4.350 -0.000 0.000 0.280 179 T C -0.038 174.637 174.700 -0.042 0.000 0.995 179 T CA 0.217 62.292 62.100 -0.041 0.000 1.009 179 T CB 1.598 70.437 68.868 -0.049 0.000 0.955 179 T HN 0.733 nan 8.240 nan 0.000 0.452 180 T N 3.438 117.966 114.554 -0.042 0.000 2.856 180 T HA 0.650 5.000 4.350 -0.000 0.000 0.283 180 T C -0.417 174.254 174.700 -0.048 0.000 1.008 180 T CA -0.511 61.569 62.100 -0.033 0.000 0.997 180 T CB 0.649 69.504 68.868 -0.021 0.000 0.992 180 T HN 0.413 nan 8.240 nan 0.000 0.454 181 I N 3.470 124.012 120.570 -0.046 0.000 2.447 181 I HA 0.426 4.596 4.170 -0.000 0.000 0.287 181 I C -0.649 175.503 176.117 0.058 0.000 1.023 181 I CA -0.727 60.532 61.300 -0.069 0.000 1.083 181 I CB 1.766 39.582 38.000 -0.307 0.000 1.245 181 I HN 0.471 nan 8.210 nan 0.000 0.434 182 I N 5.461 126.060 120.570 0.048 0.000 2.291 182 I HA 0.218 4.388 4.170 -0.000 0.000 0.290 182 I C 0.109 176.281 176.117 0.092 0.000 1.050 182 I CA -0.396 60.951 61.300 0.079 0.000 1.245 182 I CB 1.005 39.031 38.000 0.043 0.000 1.405 182 I HN 0.505 nan 8.210 nan 0.000 0.478 183 E N 5.843 126.126 120.200 0.137 0.000 2.283 183 E HA 0.143 4.492 4.350 -0.000 0.000 0.278 183 E C 0.229 176.871 176.600 0.070 0.000 1.027 183 E CA -0.069 56.403 56.400 0.120 0.000 0.843 183 E CB 0.546 30.331 29.700 0.142 0.000 1.062 183 E HN 0.467 nan 8.360 nan 0.000 0.401 184 N N 1.980 120.710 118.700 0.050 0.000 2.756 184 N HA -0.225 4.515 4.740 -0.000 0.000 0.248 184 N C -1.500 174.027 175.510 0.027 0.000 1.062 184 N CA 0.824 53.892 53.050 0.030 0.000 0.696 184 N CB -1.162 37.336 38.487 0.018 0.000 0.946 184 N HN 0.512 nan 8.380 nan 0.000 0.548 185 A N 0.091 122.930 122.820 0.031 0.000 2.332 185 A HA 0.739 5.058 4.320 -0.000 0.000 0.258 185 A C 0.876 178.474 177.584 0.023 0.000 1.087 185 A CA 0.094 52.146 52.037 0.026 0.000 0.802 185 A CB 0.416 19.430 19.000 0.024 0.000 1.042 185 A HN 0.926 nan 8.150 nan 0.000 0.489 186 A N 0.522 123.356 122.820 0.022 0.000 2.425 186 A HA 0.512 4.832 4.320 -0.000 0.000 0.249 186 A C 0.604 178.208 177.584 0.034 0.000 1.084 186 A CA -0.301 51.753 52.037 0.029 0.000 0.781 186 A CB 0.049 19.067 19.000 0.031 0.000 1.019 186 A HN 0.744 nan 8.150 nan 0.000 0.490 187 R N 0.652 121.187 120.500 0.059 0.000 2.507 187 R HA 0.209 4.549 4.340 -0.000 0.000 0.298 187 R C -0.453 175.888 176.300 0.069 0.000 0.999 187 R CA -0.132 56.014 56.100 0.078 0.000 1.082 187 R CB 0.089 30.458 30.300 0.115 0.000 1.246 187 R HN 0.763 nan 8.270 nan 0.000 0.553 188 E N 0.932 121.133 120.200 0.002 0.000 2.436 188 E HA -0.011 4.339 4.350 -0.000 0.000 0.262 188 E C -1.558 174.897 176.600 -0.241 0.000 1.063 188 E CA -1.288 55.005 56.400 -0.178 0.000 0.944 188 E CB 0.458 30.112 29.700 -0.077 0.000 0.950 188 E HN -0.086 nan 8.360 nan 0.000 0.444 189 P HA -0.152 nan 4.420 nan 0.000 0.218 189 P C 0.211 177.444 177.300 -0.112 0.000 1.148 189 P CA 1.174 64.134 63.100 -0.232 0.000 0.822 189 P CB 0.298 31.845 31.700 -0.254 0.000 0.784 190 E N -1.156 118.983 120.200 -0.101 0.000 2.208 190 E HA -0.090 4.259 4.350 -0.000 0.000 0.193 190 E C 1.872 178.433 176.600 -0.065 0.000 0.988 190 E CA 0.656 57.020 56.400 -0.061 0.000 0.828 190 E CB -0.739 28.937 29.700 -0.040 0.000 0.763 190 E HN 0.193 nan 8.360 nan 0.000 0.478 191 I N 0.148 120.681 120.570 -0.061 0.000 2.252 191 I HA -0.177 3.992 4.170 -0.000 0.000 0.245 191 I C 2.073 178.162 176.117 -0.046 0.000 1.102 191 I CA 0.853 62.121 61.300 -0.054 0.000 1.385 191 I CB -0.906 37.076 38.000 -0.031 0.000 1.064 191 I HN 0.020 nan 8.210 nan 0.000 0.414 192 V N 1.022 120.914 119.914 -0.036 0.000 2.343 192 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 192 V C 2.284 178.381 176.094 0.004 0.000 1.051 192 V CA 2.141 64.433 62.300 -0.014 0.000 1.036 192 V CB -0.656 31.162 31.823 -0.008 0.000 0.654 192 V HN 0.307 nan 8.190 nan 0.000 0.451 193 D N -0.291 120.117 120.400 0.014 0.000 2.117 193 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 193 D C 2.274 178.551 176.300 -0.038 0.000 0.987 193 D CA 1.732 55.777 54.000 0.075 0.000 0.829 193 D CB -0.129 40.725 40.800 0.091 0.000 0.961 193 D HN 0.392 nan 8.370 nan 0.000 0.460 194 T N -0.338 114.171 114.554 -0.076 0.000 2.821 194 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 194 T C 1.901 176.560 174.700 -0.068 0.000 1.046 194 T CA 1.277 63.318 62.100 -0.098 0.000 1.139 194 T CB -0.367 68.416 68.868 -0.141 0.000 0.871 194 T HN 0.206 nan 8.240 nan 0.000 0.454 195 A N 2.635 125.413 122.820 -0.070 0.000 1.877 195 A HA -0.162 4.157 4.320 -0.000 0.000 0.216 195 A C 2.240 179.767 177.584 -0.095 0.000 1.186 195 A CA 1.543 53.539 52.037 -0.068 0.000 0.620 195 A CB -0.648 18.326 19.000 -0.045 0.000 0.822 195 A HN 0.386 nan 8.150 nan 0.000 0.443 196 N N -0.977 117.675 118.700 -0.081 0.000 2.223 196 N HA -0.127 4.612 4.740 -0.000 0.000 0.185 196 N C 1.377 176.719 175.510 -0.281 0.000 1.016 196 N CA 1.448 54.457 53.050 -0.068 0.000 0.863 196 N CB -0.602 37.961 38.487 0.127 0.000 0.983 196 N HN 0.575 nan 8.380 nan 0.000 0.429 197 F N 1.774 121.260 119.950 -0.774 0.000 2.113 197 F HA -0.017 4.509 4.527 -0.000 0.000 0.297 197 F C 1.990 177.553 175.800 -0.396 0.000 1.103 197 F CA 1.000 58.410 58.000 -0.983 0.000 1.248 197 F CB -0.508 37.936 39.000 -0.926 0.000 0.999 197 F HN -0.098 nan 8.300 nan 0.000 0.475 198 L N -0.330 120.610 121.223 -0.471 0.000 2.042 198 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 198 L C 2.396 179.060 176.870 -0.344 0.000 1.076 198 L CA 1.124 55.701 54.840 -0.437 0.000 0.749 198 L CB -0.930 41.016 42.059 -0.188 0.000 0.893 198 L HN 0.053 nan 8.230 nan 0.000 0.432 199 V N 0.051 119.822 119.914 -0.239 0.000 2.407 199 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 199 V C 2.714 178.711 176.094 -0.162 0.000 1.055 199 V CA 1.701 63.907 62.300 -0.156 0.000 1.049 199 V CB -0.860 30.910 31.823 -0.089 0.000 0.662 199 V HN 0.489 nan 8.190 nan 0.000 0.455 200 A N -0.329 122.369 122.820 -0.202 0.000 2.019 200 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 200 A C 2.077 179.544 177.584 -0.194 0.000 1.164 200 A CA 1.360 53.315 52.037 -0.136 0.000 0.644 200 A CB -0.430 18.547 19.000 -0.039 0.000 0.805 200 A HN 0.549 nan 8.150 nan 0.000 0.449 201 L N -1.907 119.117 121.223 -0.332 0.000 2.554 201 L HA 0.203 4.543 4.340 -0.000 0.000 0.226 201 L C 1.665 178.430 176.870 -0.175 0.000 1.137 201 L CA 0.649 55.320 54.840 -0.282 0.000 0.863 201 L CB -0.068 41.745 42.059 -0.409 0.000 0.985 201 L HN 0.573 nan 8.230 nan 0.000 0.451 202 G N -0.623 108.085 108.800 -0.154 0.000 2.205 202 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.180 202 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.180 202 G C 0.363 175.202 174.900 -0.101 0.000 1.004 202 G CA -0.188 44.849 45.100 -0.105 0.000 0.670 202 G HN 0.389 nan 8.290 nan 0.000 0.496 203 A N 0.114 122.858 122.820 -0.126 0.000 2.346 203 A HA 0.668 4.988 4.320 -0.000 0.000 0.252 203 A C 0.404 177.939 177.584 -0.082 0.000 1.089 203 A CA 0.429 52.404 52.037 -0.104 0.000 0.797 203 A CB 0.350 19.278 19.000 -0.121 0.000 1.047 203 A HN 0.349 nan 8.150 nan 0.000 0.494 204 K N 0.915 121.276 120.400 -0.066 0.000 2.464 204 K HA 0.581 4.901 4.320 -0.000 0.000 0.252 204 K C -1.456 175.114 176.600 -0.050 0.000 1.000 204 K CA 0.301 56.556 56.287 -0.053 0.000 0.951 204 K CB 1.061 33.534 32.500 -0.046 0.000 1.183 204 K HN 0.578 nan 8.250 nan 0.000 0.445 205 I N 1.545 122.086 120.570 -0.048 0.000 2.619 205 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 205 I C -0.388 175.709 176.117 -0.033 0.000 1.100 205 I CA -0.744 60.531 61.300 -0.042 0.000 1.043 205 I CB 2.320 40.291 38.000 -0.048 0.000 1.239 205 I HN 0.552 nan 8.210 nan 0.000 0.420 206 S N 2.235 117.918 115.700 -0.028 0.000 2.588 206 S HA 0.820 5.289 4.470 -0.000 0.000 0.275 206 S C 0.235 174.825 174.600 -0.018 0.000 1.130 206 S CA -0.014 58.173 58.200 -0.021 0.000 0.855 206 S CB 2.033 65.220 63.200 -0.022 0.000 1.116 206 S HN 1.356 nan 8.310 nan 0.000 0.472 207 G N 0.823 109.616 108.800 -0.011 0.000 2.175 207 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.244 207 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.244 207 G C 0.110 175.009 174.900 -0.001 0.000 0.982 207 G CA 0.161 45.257 45.100 -0.006 0.000 0.641 207 G HN 1.286 nan 8.290 nan 0.000 0.527 208 Q N 0.290 120.087 119.800 -0.004 0.000 2.255 208 Q HA 0.409 4.749 4.340 -0.000 0.000 0.280 208 Q C 1.097 177.101 176.000 0.006 0.000 1.068 208 Q CA 1.034 56.835 55.803 -0.003 0.000 0.911 208 Q CB 0.960 29.691 28.738 -0.010 0.000 1.157 208 Q HN 1.752 nan 8.270 nan 0.000 0.380 209 G N 2.567 111.375 108.800 0.014 0.000 2.284 209 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.201 209 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.201 209 G C 0.255 175.178 174.900 0.040 0.000 0.998 209 G CA 0.122 45.240 45.100 0.030 0.000 0.651 209 G HN 1.062 nan 8.290 nan 0.000 0.489 210 T N -1.191 113.378 114.554 0.026 0.000 2.922 210 T HA 0.547 4.897 4.350 -0.000 0.000 0.281 210 T C 0.761 175.475 174.700 0.025 0.000 1.005 210 T CA 0.654 62.769 62.100 0.025 0.000 0.982 210 T CB 1.689 70.567 68.868 0.016 0.000 1.158 210 T HN 0.215 nan 8.240 nan 0.000 0.566 211 D N -1.178 119.236 120.400 0.023 0.000 2.324 211 D HA 0.061 4.701 4.640 -0.000 0.000 0.235 211 D C 0.588 176.905 176.300 0.029 0.000 1.095 211 D CA -0.136 53.879 54.000 0.025 0.000 0.871 211 D CB -0.079 40.734 40.800 0.023 0.000 0.906 211 D HN 0.594 nan 8.370 nan 0.000 0.522 212 R N 0.801 121.315 120.500 0.023 0.000 2.539 212 R HA 0.411 4.750 4.340 -0.000 0.000 0.295 212 R C -1.444 174.860 176.300 0.007 0.000 1.138 212 R CA -0.578 55.536 56.100 0.023 0.000 0.936 212 R CB 0.548 30.861 30.300 0.022 0.000 1.182 212 R HN 0.021 nan 8.270 nan 0.000 0.459 213 I N 3.318 123.892 120.570 0.006 0.000 2.359 213 I HA 0.321 4.490 4.170 -0.000 0.000 0.294 213 I C -0.185 175.919 176.117 -0.020 0.000 0.987 213 I CA -0.761 60.535 61.300 -0.007 0.000 1.225 213 I CB 2.281 40.278 38.000 -0.005 0.000 1.366 213 I HN 0.502 nan 8.210 nan 0.000 0.466 214 T N 6.949 121.485 114.554 -0.031 0.000 2.786 214 T HA 0.626 4.976 4.350 -0.000 0.000 0.283 214 T C -0.386 174.290 174.700 -0.040 0.000 0.992 214 T CA -0.323 61.750 62.100 -0.045 0.000 0.954 214 T CB 1.122 69.959 68.868 -0.052 0.000 0.934 214 T HN 0.181 nan 8.240 nan 0.000 0.440 215 I N 2.446 122.991 120.570 -0.041 0.000 2.465 215 I HA 0.356 4.525 4.170 -0.000 0.000 0.291 215 I C 0.217 176.309 176.117 -0.042 0.000 1.014 215 I CA -0.542 60.734 61.300 -0.040 0.000 1.093 215 I CB 1.953 39.931 38.000 -0.036 0.000 1.267 215 I HN 0.553 nan 8.210 nan 0.000 0.431 216 E N 4.764 124.939 120.200 -0.042 0.000 2.063 216 E HA 0.486 4.836 4.350 -0.000 0.000 0.265 216 E C 0.160 176.734 176.600 -0.042 0.000 0.919 216 E CA -0.612 55.764 56.400 -0.041 0.000 0.756 216 E CB 0.995 30.672 29.700 -0.039 0.000 1.120 216 E HN 0.846 nan 8.360 nan 0.000 0.414 217 G N 2.363 111.139 108.800 -0.040 0.000 2.562 217 G HA2 0.241 4.200 3.960 -0.000 0.000 0.233 217 G HA3 0.241 4.200 3.960 -0.000 0.000 0.233 217 G C 0.098 174.972 174.900 -0.044 0.000 1.266 217 G CA 0.154 45.228 45.100 -0.042 0.000 0.852 217 G HN 0.435 nan 8.290 nan 0.000 0.581 218 V N -0.972 118.912 119.914 -0.049 0.000 3.141 218 V HA 0.565 4.685 4.120 -0.000 0.000 0.312 218 V C 0.828 176.891 176.094 -0.052 0.000 1.157 218 V CA -0.757 61.514 62.300 -0.049 0.000 1.041 218 V CB 1.921 33.712 31.823 -0.053 0.000 1.071 218 V HN 0.777 nan 8.190 nan 0.000 0.441 219 E N 1.048 121.219 120.200 -0.048 0.000 2.106 219 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 219 E C 0.377 176.940 176.600 -0.062 0.000 0.984 219 E CA 1.567 57.936 56.400 -0.051 0.000 0.806 219 E CB 0.119 29.793 29.700 -0.042 0.000 0.750 219 E HN 0.762 nan 8.360 nan 0.000 0.458 220 R N -0.629 119.834 120.500 -0.062 0.000 2.692 220 R HA 0.495 4.835 4.340 -0.000 0.000 0.269 220 R C -1.429 174.829 176.300 -0.071 0.000 1.030 220 R CA -0.712 55.346 56.100 -0.070 0.000 0.882 220 R CB 0.899 31.163 30.300 -0.061 0.000 1.250 220 R HN -0.153 nan 8.270 nan 0.000 0.465 221 L N 1.628 122.804 121.223 -0.078 0.000 2.329 221 L HA 0.591 4.931 4.340 -0.000 0.000 0.279 221 L C 0.701 177.529 176.870 -0.070 0.000 1.014 221 L CA -0.678 54.109 54.840 -0.089 0.000 0.814 221 L CB 1.922 43.915 42.059 -0.111 0.000 1.257 221 L HN 1.005 nan 8.230 nan 0.000 0.424 222 G N 1.584 110.342 108.800 -0.071 0.000 3.086 222 G HA2 0.581 4.541 3.960 -0.000 0.000 0.159 222 G HA3 0.581 4.541 3.960 -0.000 0.000 0.159 222 G C 0.056 174.933 174.900 -0.038 0.000 1.654 222 G CA 0.329 45.403 45.100 -0.044 0.000 1.078 222 G HN 0.729 nan 8.290 nan 0.000 0.558 223 G N -3.017 105.771 108.800 -0.022 0.000 3.176 223 G HA2 0.730 4.690 3.960 -0.000 0.000 0.272 223 G HA3 0.730 4.690 3.960 -0.000 0.000 0.272 223 G C -0.325 174.576 174.900 0.001 0.000 1.349 223 G CA 0.083 45.186 45.100 0.005 0.000 0.953 223 G HN 1.782 nan 8.290 nan 0.000 0.559 224 G N -2.673 106.157 108.800 0.050 0.000 2.345 224 G HA2 0.514 4.473 3.960 -0.000 0.000 0.285 224 G HA3 0.514 4.473 3.960 -0.000 0.000 0.285 224 G C -2.008 172.963 174.900 0.118 0.000 1.297 224 G CA 0.143 45.282 45.100 0.064 0.000 0.875 224 G HN 1.371 nan 8.290 nan 0.000 0.506 225 V N 0.244 120.235 119.914 0.128 0.000 2.638 225 V HA 0.753 4.873 4.120 -0.000 0.000 0.306 225 V C -1.277 174.940 176.094 0.206 0.000 1.052 225 V CA -0.625 61.754 62.300 0.132 0.000 0.885 225 V CB 1.588 33.455 31.823 0.072 0.000 0.999 225 V HN 0.974 nan 8.190 nan 0.000 0.424 226 Y N 3.710 124.054 120.300 0.074 0.000 2.470 226 Y HA 0.594 5.143 4.550 -0.000 0.000 0.341 226 Y C -0.294 175.604 175.900 -0.003 0.000 1.021 226 Y CA -0.824 57.329 58.100 0.089 0.000 1.025 226 Y CB 1.787 40.422 38.460 0.291 0.000 1.266 226 Y HN 0.648 nan 8.280 nan 0.000 0.448 227 R N 5.422 125.611 120.500 -0.518 0.000 2.229 227 R HA 0.583 4.923 4.340 -0.000 0.000 0.332 227 R C -1.338 174.768 176.300 -0.324 0.000 0.989 227 R CA -0.522 55.382 56.100 -0.328 0.000 0.842 227 R CB 0.777 30.915 30.300 -0.270 0.000 1.119 227 R HN 0.619 nan 8.270 nan 0.000 0.456 228 V N 6.383 126.236 119.914 -0.102 0.000 2.788 228 V HA -0.040 4.079 4.120 -0.000 0.000 0.307 228 V C 1.033 177.098 176.094 -0.048 0.000 1.069 228 V CA 0.035 62.328 62.300 -0.012 0.000 1.173 228 V CB 0.477 32.282 31.823 -0.029 0.000 0.925 228 V HN 0.697 nan 8.190 nan 0.000 0.492 229 L N 5.050 126.269 121.223 -0.007 0.000 2.475 229 L HA 0.552 4.891 4.340 -0.000 0.000 0.253 229 L C -2.387 174.471 176.870 -0.020 0.000 1.198 229 L CA -1.674 53.153 54.840 -0.022 0.000 0.814 229 L CB 0.113 42.171 42.059 -0.002 0.000 1.134 229 L HN 0.354 nan 8.230 nan 0.000 0.478 230 P HA -0.001 nan 4.420 nan 0.000 0.269 230 P C -1.174 176.125 177.300 -0.002 0.000 1.209 230 P CA 0.018 63.115 63.100 -0.004 0.000 0.776 230 P CB 0.338 32.041 31.700 0.006 0.000 0.876 231 D N 2.889 123.292 120.400 0.005 0.000 2.344 231 D HA -0.014 4.626 4.640 -0.000 0.000 0.253 231 D C 1.352 177.664 176.300 0.019 0.000 1.255 231 D CA -0.027 53.971 54.000 -0.002 0.000 0.894 231 D CB 0.530 41.322 40.800 -0.014 0.000 1.067 231 D HN 0.350 nan 8.370 nan 0.000 0.492 232 R N 3.885 124.388 120.500 0.006 0.000 2.115 232 R HA -0.111 4.228 4.340 -0.000 0.000 0.230 232 R C 1.448 177.766 176.300 0.031 0.000 1.111 232 R CA 0.554 56.665 56.100 0.019 0.000 0.976 232 R CB -0.142 30.156 30.300 -0.003 0.000 0.870 232 R HN 0.332 nan 8.270 nan 0.000 0.445 233 I N 1.858 122.433 120.570 0.008 0.000 2.286 233 I HA -0.143 4.026 4.170 -0.000 0.000 0.245 233 I C 2.548 178.708 176.117 0.070 0.000 1.104 233 I CA 1.267 62.577 61.300 0.017 0.000 1.397 233 I CB -1.274 36.712 38.000 -0.023 0.000 1.072 233 I HN 0.367 nan 8.210 nan 0.000 0.417 234 E N 1.036 121.268 120.200 0.054 0.000 2.051 234 E HA -0.200 4.149 4.350 -0.000 0.000 0.192 234 E C 2.055 178.848 176.600 0.323 0.000 0.991 234 E CA 2.067 58.582 56.400 0.192 0.000 0.799 234 E CB 0.146 29.953 29.700 0.178 0.000 0.748 234 E HN 0.395 nan 8.360 nan 0.000 0.449 235 T N -0.136 114.559 114.554 0.234 0.000 2.684 235 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 235 T C 1.743 176.580 174.700 0.228 0.000 1.036 235 T CA 1.365 63.609 62.100 0.240 0.000 1.148 235 T CB -0.695 68.259 68.868 0.143 0.000 0.863 235 T HN 0.418 nan 8.240 nan 0.000 0.436 236 G N 0.799 109.700 108.800 0.168 0.000 2.432 236 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 236 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 236 G C 1.696 176.691 174.900 0.158 0.000 1.135 236 G CA 1.400 46.603 45.100 0.171 0.000 0.767 236 G HN 0.455 nan 8.290 nan 0.000 0.550 237 T N 0.934 115.560 114.554 0.120 0.000 2.674 237 T HA -0.077 4.273 4.350 -0.000 0.000 0.265 237 T C 2.026 176.663 174.700 -0.105 0.000 1.039 237 T CA 1.058 63.148 62.100 -0.018 0.000 1.150 237 T CB -0.360 68.475 68.868 -0.055 0.000 0.864 237 T HN 0.283 nan 8.240 nan 0.000 0.427 238 F N 0.794 120.804 119.950 0.100 0.000 2.293 238 F HA 0.123 4.650 4.527 -0.000 0.000 0.300 238 F C 2.063 177.891 175.800 0.048 0.000 1.086 238 F CA 0.501 58.539 58.000 0.063 0.000 1.375 238 F CB -0.441 38.603 39.000 0.073 0.000 1.045 238 F HN 0.075 nan 8.300 nan 0.000 0.516 239 L N -0.979 120.375 121.223 0.217 0.000 2.109 239 L HA -0.161 4.178 4.340 -0.000 0.000 0.207 239 L C 2.292 179.203 176.870 0.069 0.000 1.086 239 L CA 0.554 55.481 54.840 0.145 0.000 0.760 239 L CB -0.615 41.535 42.059 0.152 0.000 0.910 239 L HN -0.045 nan 8.230 nan 0.000 0.437 240 V N 0.019 119.949 119.914 0.027 0.000 2.515 240 V HA -0.239 3.880 4.120 -0.000 0.000 0.250 240 V C 2.729 178.782 176.094 -0.069 0.000 1.058 240 V CA 1.569 63.816 62.300 -0.087 0.000 1.064 240 V CB -0.692 31.043 31.823 -0.147 0.000 0.675 240 V HN 0.459 nan 8.190 nan 0.000 0.461 241 A N 0.116 122.918 122.820 -0.029 0.000 1.908 241 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 241 A C 2.388 179.977 177.584 0.007 0.000 1.181 241 A CA 2.251 54.278 52.037 -0.017 0.000 0.627 241 A CB -0.657 18.358 19.000 0.024 0.000 0.818 241 A HN 0.571 nan 8.150 nan 0.000 0.445 242 A N -0.540 122.300 122.820 0.033 0.000 1.930 242 A HA 0.330 4.650 4.320 -0.000 0.000 0.215 242 A C 2.443 180.023 177.584 -0.007 0.000 1.176 242 A CA 1.571 53.620 52.037 0.021 0.000 0.632 242 A CB -0.867 18.155 19.000 0.036 0.000 0.819 242 A HN 1.029 nan 8.150 nan 0.000 0.445 243 A N 0.559 123.368 122.820 -0.018 0.000 2.019 243 A HA -0.046 4.273 4.320 -0.000 0.000 0.219 243 A C 1.971 179.525 177.584 -0.050 0.000 1.164 243 A CA 1.464 53.479 52.037 -0.037 0.000 0.644 243 A CB -0.715 18.247 19.000 -0.064 0.000 0.805 243 A HN 0.993 nan 8.150 nan 0.000 0.449 244 I N -3.166 117.369 120.570 -0.059 0.000 3.883 244 I HA 0.158 4.328 4.170 -0.000 0.000 0.326 244 I C 1.184 177.280 176.117 -0.035 0.000 1.283 244 I CA 1.008 62.274 61.300 -0.057 0.000 1.161 244 I CB 0.366 38.321 38.000 -0.077 0.000 1.012 244 I HN 0.212 nan 8.210 nan 0.000 0.421 245 S N -0.211 115.474 115.700 -0.025 0.000 2.749 245 S HA 0.453 4.923 4.470 -0.000 0.000 0.246 245 S C 1.422 176.015 174.600 -0.011 0.000 1.023 245 S CA 0.147 58.337 58.200 -0.016 0.000 1.012 245 S CB 0.256 63.448 63.200 -0.013 0.000 0.942 245 S HN 0.723 nan 8.310 nan 0.000 0.531 246 G N 0.544 109.338 108.800 -0.011 0.000 2.180 246 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.263 246 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.263 246 G C 0.584 175.475 174.900 -0.015 0.000 0.989 246 G CA 0.148 45.244 45.100 -0.006 0.000 0.692 246 G HN 1.121 nan 8.290 nan 0.000 0.526 247 G N -0.912 107.877 108.800 -0.018 0.000 2.525 247 G HA2 0.607 4.566 3.960 -0.000 0.000 0.287 247 G HA3 0.607 4.566 3.960 -0.000 0.000 0.287 247 G C -0.166 174.708 174.900 -0.044 0.000 1.350 247 G CA 0.061 45.147 45.100 -0.024 0.000 1.039 247 G HN 0.635 nan 8.290 nan 0.000 0.513 248 K N -1.037 119.338 120.400 -0.041 0.000 2.427 248 K HA 0.667 4.987 4.320 -0.000 0.000 0.252 248 K C -1.631 174.959 176.600 -0.016 0.000 0.931 248 K CA -0.742 55.514 56.287 -0.050 0.000 0.793 248 K CB 2.075 34.528 32.500 -0.078 0.000 1.211 248 K HN 0.437 nan 8.250 nan 0.000 0.426 249 I N 2.908 123.481 120.570 0.005 0.000 3.006 249 I HA 0.433 4.603 4.170 -0.000 0.000 0.306 249 I C -1.764 174.376 176.117 0.037 0.000 1.250 249 I CA -1.009 60.303 61.300 0.019 0.000 0.996 249 I CB 2.406 40.435 38.000 0.050 0.000 1.261 249 I HN 0.412 nan 8.210 nan 0.000 0.442 250 V N 4.954 124.880 119.914 0.021 0.000 2.531 250 V HA 0.361 4.480 4.120 -0.000 0.000 0.301 250 V C -0.740 175.383 176.094 0.048 0.000 1.034 250 V CA -0.570 61.760 62.300 0.049 0.000 0.865 250 V CB 1.426 33.229 31.823 -0.033 0.000 0.995 250 V HN 0.764 nan 8.190 nan 0.000 0.424 251 C N 6.182 125.550 119.300 0.114 0.000 2.255 251 C HA 0.605 5.064 4.460 -0.000 0.000 0.326 251 C C 0.601 175.665 174.990 0.124 0.000 1.258 251 C CA -1.060 58.008 59.018 0.082 0.000 1.676 251 C CB -0.058 27.747 27.740 0.109 0.000 2.314 251 C HN 0.749 nan 8.230 nan 0.000 0.509 252 R N 2.282 122.820 120.500 0.063 0.000 2.549 252 R HA 0.255 4.595 4.340 -0.000 0.000 0.267 252 R C 0.389 176.728 176.300 0.065 0.000 1.045 252 R CA -0.380 55.770 56.100 0.082 0.000 1.115 252 R CB 0.167 30.481 30.300 0.023 0.000 1.121 252 R HN 0.761 nan 8.270 nan 0.000 0.543 253 N N -1.299 117.445 118.700 0.074 0.000 2.740 253 N HA -0.203 4.537 4.740 -0.000 0.000 0.248 253 N C -1.139 174.397 175.510 0.042 0.000 1.062 253 N CA 1.203 54.280 53.050 0.045 0.000 0.704 253 N CB -0.862 37.636 38.487 0.019 0.000 0.968 253 N HN 0.725 nan 8.380 nan 0.000 0.547 254 A N -0.225 122.632 122.820 0.062 0.000 2.288 254 A HA 0.729 5.049 4.320 -0.000 0.000 0.328 254 A C 0.096 177.689 177.584 0.015 0.000 1.123 254 A CA -0.449 51.615 52.037 0.046 0.000 0.861 254 A CB 1.241 20.282 19.000 0.069 0.000 1.272 254 A HN 0.215 nan 8.150 nan 0.000 0.490 255 Q N 0.580 120.382 119.800 0.003 0.000 2.771 255 Q HA 0.318 4.658 4.340 -0.000 0.000 0.247 255 Q C -2.281 173.708 176.000 -0.019 0.000 0.986 255 Q CA -1.781 54.012 55.803 -0.017 0.000 0.713 255 Q CB 1.297 30.028 28.738 -0.012 0.000 1.241 255 Q HN 0.430 nan 8.270 nan 0.000 0.488 256 P HA -0.233 nan 4.420 nan 0.000 0.218 256 P C 0.585 177.873 177.300 -0.020 0.000 1.154 256 P CA 1.696 64.767 63.100 -0.049 0.000 0.872 256 P CB 0.193 31.822 31.700 -0.118 0.000 0.790 257 D N -1.482 118.907 120.400 -0.018 0.000 2.392 257 D HA -0.105 4.535 4.640 -0.000 0.000 0.228 257 D C 1.102 177.434 176.300 0.053 0.000 1.003 257 D CA 1.310 55.315 54.000 0.009 0.000 0.917 257 D CB -1.461 39.342 40.800 0.004 0.000 0.890 257 D HN 0.235 nan 8.370 nan 0.000 0.532 258 T N -2.643 111.940 114.554 0.047 0.000 3.107 258 T HA 0.216 4.566 4.350 -0.000 0.000 0.249 258 T C 1.184 175.953 174.700 0.115 0.000 1.096 258 T CA -0.258 61.892 62.100 0.084 0.000 1.012 258 T CB -0.262 68.609 68.868 0.005 0.000 0.977 258 T HN 0.187 nan 8.240 nan 0.000 0.527 259 L N 0.640 121.905 121.223 0.068 0.000 3.366 259 L HA 0.367 4.707 4.340 -0.000 0.000 0.304 259 L C 0.829 177.717 176.870 0.030 0.000 1.292 259 L CA -0.312 54.555 54.840 0.045 0.000 1.012 259 L CB 0.549 42.633 42.059 0.042 0.000 1.414 259 L HN -0.019 nan 8.230 nan 0.000 0.603 260 D N 1.539 121.952 120.400 0.021 0.000 2.116 260 D HA -0.239 4.401 4.640 -0.000 0.000 0.193 260 D C 2.122 178.431 176.300 0.014 0.000 0.998 260 D CA 1.825 55.829 54.000 0.008 0.000 0.836 260 D CB 0.239 41.031 40.800 -0.013 0.000 0.951 260 D HN 0.427 nan 8.370 nan 0.000 0.449 261 A N 0.836 123.651 122.820 -0.007 0.000 1.858 261 A HA -0.154 4.165 4.320 -0.000 0.000 0.216 261 A C 2.648 180.280 177.584 0.080 0.000 1.190 261 A CA 1.600 53.653 52.037 0.027 0.000 0.617 261 A CB -0.894 18.111 19.000 0.009 0.000 0.827 261 A HN 0.148 nan 8.150 nan 0.000 0.443 262 V N 0.323 120.252 119.914 0.025 0.000 2.255 262 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 262 V C 2.608 178.821 176.094 0.199 0.000 1.051 262 V CA 2.128 64.481 62.300 0.090 0.000 1.018 262 V CB -0.889 30.959 31.823 0.041 0.000 0.641 262 V HN 0.581 nan 8.190 nan 0.000 0.445 263 L N 0.054 121.357 121.223 0.134 0.000 2.042 263 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 263 L C 2.732 179.678 176.870 0.127 0.000 1.076 263 L CA 1.711 56.629 54.840 0.129 0.000 0.749 263 L CB -0.897 41.208 42.059 0.077 0.000 0.893 263 L HN 0.397 nan 8.230 nan 0.000 0.432 264 A N -0.261 122.619 122.820 0.100 0.000 1.933 264 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 264 A C 2.288 179.940 177.584 0.112 0.000 1.175 264 A CA 1.711 53.799 52.037 0.085 0.000 0.628 264 A CB -0.322 18.712 19.000 0.056 0.000 0.814 264 A HN 0.164 nan 8.150 nan 0.000 0.444 265 K N -0.239 120.253 120.400 0.153 0.000 2.103 265 K HA 0.124 4.444 4.320 -0.000 0.000 0.204 265 K C 1.727 178.504 176.600 0.294 0.000 1.052 265 K CA 0.881 57.284 56.287 0.194 0.000 0.945 265 K CB -0.460 32.127 32.500 0.146 0.000 0.722 265 K HN 0.514 nan 8.250 nan 0.000 0.443 266 L N -0.067 121.351 121.223 0.324 0.000 2.093 266 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 266 L C 2.297 179.256 176.870 0.148 0.000 1.085 266 L CA 1.126 56.114 54.840 0.247 0.000 0.755 266 L CB -0.244 41.951 42.059 0.226 0.000 0.904 266 L HN 0.123 nan 8.230 nan 0.000 0.435 267 R N 0.156 120.734 120.500 0.129 0.000 2.081 267 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 267 R C 2.061 178.412 176.300 0.084 0.000 1.131 267 R CA 1.407 57.564 56.100 0.095 0.000 0.960 267 R CB -0.275 30.073 30.300 0.080 0.000 0.856 267 R HN 0.461 nan 8.270 nan 0.000 0.436 268 E N 0.240 120.494 120.200 0.090 0.000 2.268 268 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 268 E C 1.640 178.283 176.600 0.071 0.000 0.995 268 E CA 0.871 57.314 56.400 0.072 0.000 0.836 268 E CB 0.048 29.788 29.700 0.067 0.000 0.763 268 E HN 0.337 nan 8.360 nan 0.000 0.491 269 A N 0.058 122.931 122.820 0.089 0.000 2.208 269 A HA 0.219 4.539 4.320 -0.000 0.000 0.209 269 A C 1.761 179.376 177.584 0.051 0.000 1.161 269 A CA 0.948 53.024 52.037 0.066 0.000 0.782 269 A CB -0.046 18.991 19.000 0.062 0.000 0.816 269 A HN 0.345 nan 8.150 nan 0.000 0.477 270 G N -2.409 106.428 108.800 0.062 0.000 2.192 270 G HA2 0.172 4.132 3.960 -0.000 0.000 0.193 270 G HA3 0.172 4.132 3.960 -0.000 0.000 0.193 270 G C 0.406 175.354 174.900 0.079 0.000 0.999 270 G CA 0.060 45.198 45.100 0.063 0.000 0.659 270 G HN 1.462 nan 8.290 nan 0.000 0.503 271 A N 0.276 123.142 122.820 0.076 0.000 2.462 271 A HA 0.523 4.842 4.320 -0.000 0.000 0.243 271 A C 0.152 177.795 177.584 0.097 0.000 1.076 271 A CA 0.814 52.898 52.037 0.078 0.000 0.773 271 A CB 0.448 19.490 19.000 0.070 0.000 1.010 271 A HN 0.563 nan 8.150 nan 0.000 0.493 272 D N 2.015 122.479 120.400 0.107 0.000 2.443 272 D HA 0.464 5.103 4.640 -0.000 0.000 0.221 272 D C -0.585 175.776 176.300 0.100 0.000 1.097 272 D CA 0.014 54.094 54.000 0.133 0.000 0.865 272 D CB -0.035 40.909 40.800 0.241 0.000 1.034 272 D HN 0.354 nan 8.370 nan 0.000 0.511 273 I N 2.994 123.622 120.570 0.097 0.000 2.412 273 I HA 0.370 4.540 4.170 -0.000 0.000 0.296 273 I C 0.288 176.462 176.117 0.094 0.000 0.987 273 I CA -0.798 60.559 61.300 0.095 0.000 1.180 273 I CB 1.626 39.676 38.000 0.082 0.000 1.340 273 I HN 0.197 nan 8.210 nan 0.000 0.455 274 E N 3.547 123.821 120.200 0.124 0.000 2.343 274 E HA 0.606 4.956 4.350 -0.000 0.000 0.270 274 E C -0.935 175.642 176.600 -0.038 0.000 0.895 274 E CA -0.546 55.919 56.400 0.108 0.000 0.767 274 E CB 2.686 32.540 29.700 0.257 0.000 1.248 274 E HN 0.697 nan 8.360 nan 0.000 0.440 275 T N -2.015 112.338 114.554 -0.334 0.000 2.903 275 T HA 0.814 5.164 4.350 -0.000 0.000 0.299 275 T C 0.129 174.066 174.700 -1.273 0.000 1.093 275 T CA -0.725 60.913 62.100 -0.769 0.000 1.002 275 T CB 2.048 70.684 68.868 -0.388 0.000 1.127 275 T HN 0.432 nan 8.240 nan 0.000 0.488 276 G N 0.075 107.734 108.800 -1.902 0.000 3.175 276 G HA2 0.514 4.474 3.960 -0.000 0.000 0.255 276 G HA3 0.514 4.474 3.960 -0.000 0.000 0.255 276 G C 0.203 174.682 174.900 -0.702 0.000 1.352 276 G CA -0.553 43.680 45.100 -1.445 0.000 1.037 276 G HN 0.707 nan 8.290 nan 0.000 0.556 277 E N -0.511 119.493 120.200 -0.327 0.000 2.107 277 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 277 E C 0.892 177.419 176.600 -0.121 0.000 0.982 277 E CA 1.784 58.092 56.400 -0.153 0.000 0.809 277 E CB 0.209 29.887 29.700 -0.038 0.000 0.756 277 E HN 0.476 nan 8.360 nan 0.000 0.459 278 D N -1.098 119.263 120.400 -0.066 0.000 2.673 278 D HA 0.064 4.704 4.640 -0.000 0.000 0.278 278 D C -0.413 175.976 176.300 0.148 0.000 1.393 278 D CA -0.559 53.461 54.000 0.033 0.000 0.805 278 D CB -0.799 40.052 40.800 0.085 0.000 1.110 278 D HN 0.266 nan 8.370 nan 0.000 0.476 279 W N -0.143 121.160 121.300 0.006 0.000 3.137 279 W HA 0.671 5.331 4.660 -0.000 0.000 0.324 279 W C -2.100 174.428 176.519 0.016 0.000 1.253 279 W CA -1.320 56.029 57.345 0.007 0.000 1.183 279 W CB 0.518 29.978 29.460 0.001 0.000 1.424 279 W HN -0.298 nan 8.180 nan 0.000 0.566 280 I N 3.083 123.873 120.570 0.366 0.000 2.571 280 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 280 I C -0.190 176.149 176.117 0.369 0.000 1.115 280 I CA -0.673 60.764 61.300 0.229 0.000 1.045 280 I CB 2.518 40.580 38.000 0.103 0.000 1.238 280 I HN 0.450 nan 8.210 nan 0.000 0.424 281 S N 7.138 123.080 115.700 0.403 0.000 2.503 281 S HA 0.843 5.313 4.470 -0.000 0.000 0.301 281 S C -0.966 173.735 174.600 0.168 0.000 1.087 281 S CA -0.722 57.646 58.200 0.279 0.000 1.042 281 S CB 2.302 65.680 63.200 0.296 0.000 1.043 281 S HN 0.642 nan 8.310 nan 0.000 0.489 282 L N 2.225 123.509 121.223 0.102 0.000 2.410 282 L HA 0.668 5.008 4.340 -0.000 0.000 0.270 282 L C -1.924 174.945 176.870 -0.001 0.000 0.983 282 L CA -0.306 54.572 54.840 0.063 0.000 0.822 282 L CB 1.906 44.008 42.059 0.072 0.000 1.285 282 L HN 0.824 nan 8.230 nan 0.000 0.409 283 D N 5.001 125.366 120.400 -0.058 0.000 2.696 283 D HA 0.279 4.919 4.640 -0.000 0.000 0.251 283 D C 0.256 176.412 176.300 -0.239 0.000 1.188 283 D CA -0.421 53.448 54.000 -0.218 0.000 0.876 283 D CB 1.851 42.408 40.800 -0.405 0.000 1.334 283 D HN 0.493 nan 8.370 nan 0.000 0.540 284 M N 1.601 121.103 119.600 -0.163 0.000 2.541 284 M HA 0.023 4.503 4.480 -0.000 0.000 0.252 284 M C 0.194 176.508 176.300 0.023 0.000 1.125 284 M CA 0.297 55.571 55.300 -0.043 0.000 1.091 284 M CB -0.668 31.924 32.600 -0.013 0.000 1.420 284 M HN 0.500 nan 8.290 nan 0.000 0.486 285 H N 0.091 119.173 119.070 0.020 0.000 2.770 285 H HA -0.159 4.397 4.556 -0.000 0.000 0.309 285 H C 1.333 176.668 175.328 0.012 0.000 1.206 285 H CA 0.877 56.935 56.048 0.016 0.000 1.147 285 H CB -2.148 27.624 29.762 0.018 0.000 1.422 285 H HN 0.644 nan 8.280 nan 0.000 0.420 286 G N -0.523 108.313 108.800 0.061 0.000 2.186 286 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.266 286 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.266 286 G C 0.407 175.333 174.900 0.044 0.000 0.982 286 G CA 0.940 46.066 45.100 0.044 0.000 0.670 286 G HN 0.374 nan 8.290 nan 0.000 0.533 287 K N 0.302 120.738 120.400 0.059 0.000 2.174 287 K HA 0.379 4.699 4.320 -0.000 0.000 0.275 287 K C 0.775 177.392 176.600 0.028 0.000 1.015 287 K CA -0.837 55.479 56.287 0.047 0.000 0.933 287 K CB 1.137 33.675 32.500 0.064 0.000 1.025 287 K HN 0.442 nan 8.250 nan 0.000 0.463 288 R N 3.323 123.835 120.500 0.020 0.000 2.543 288 R HA 0.106 4.446 4.340 -0.000 0.000 0.277 288 R C -1.962 174.345 176.300 0.010 0.000 1.074 288 R CA -0.991 55.114 56.100 0.009 0.000 1.076 288 R CB 0.308 30.613 30.300 0.009 0.000 0.993 288 R HN 0.362 nan 8.270 nan 0.000 0.459 289 P HA 0.079 nan 4.420 nan 0.000 0.274 289 P C -1.301 176.003 177.300 0.006 0.000 1.231 289 P CA -0.103 62.997 63.100 -0.001 0.000 0.790 289 P CB 0.761 32.444 31.700 -0.028 0.000 0.951 290 K N 1.063 121.472 120.400 0.016 0.000 2.201 290 K HA 0.477 4.797 4.320 -0.000 0.000 0.278 290 K C 0.278 176.890 176.600 0.020 0.000 1.027 290 K CA -0.633 55.666 56.287 0.020 0.000 0.909 290 K CB 1.254 33.771 32.500 0.027 0.000 1.062 290 K HN 0.545 nan 8.250 nan 0.000 0.465 291 A N 2.383 125.212 122.820 0.015 0.000 2.531 291 A HA 0.270 4.590 4.320 -0.000 0.000 0.236 291 A C 0.401 177.997 177.584 0.020 0.000 1.062 291 A CA -0.240 51.804 52.037 0.011 0.000 0.760 291 A CB -0.075 18.925 19.000 0.001 0.000 0.995 291 A HN 0.566 nan 8.150 nan 0.000 0.501 292 V N -0.374 119.556 119.914 0.028 0.000 3.102 292 V HA 0.863 4.983 4.120 -0.000 0.000 0.312 292 V C -0.093 175.994 176.094 -0.012 0.000 1.135 292 V CA -0.656 61.660 62.300 0.026 0.000 1.022 292 V CB 1.689 33.558 31.823 0.077 0.000 1.056 292 V HN 0.783 nan 8.190 nan 0.000 0.436 293 T N 1.732 116.262 114.554 -0.040 0.000 2.794 293 T HA 0.746 5.096 4.350 -0.000 0.000 0.280 293 T C -0.580 174.032 174.700 -0.146 0.000 0.987 293 T CA -0.310 61.746 62.100 -0.074 0.000 0.993 293 T CB 1.389 70.225 68.868 -0.053 0.000 0.939 293 T HN 0.756 nan 8.240 nan 0.000 0.449 294 V N 3.452 123.245 119.914 -0.202 0.000 2.789 294 V HA 0.642 4.762 4.120 -0.000 0.000 0.311 294 V C -0.310 175.647 176.094 -0.228 0.000 1.073 294 V CA -0.987 61.086 62.300 -0.380 0.000 0.921 294 V CB 2.273 33.627 31.823 -0.782 0.000 1.009 294 V HN 0.746 nan 8.190 nan 0.000 0.426 295 R N 2.248 122.639 120.500 -0.181 0.000 2.500 295 R HA 0.502 4.842 4.340 -0.000 0.000 0.299 295 R C -0.232 176.096 176.300 0.046 0.000 1.038 295 R CA -0.301 55.775 56.100 -0.040 0.000 0.903 295 R CB 1.697 31.984 30.300 -0.022 0.000 1.177 295 R HN 0.936 nan 8.270 nan 0.000 0.455 296 T N 1.085 115.708 114.554 0.115 0.000 2.918 296 T HA 0.709 5.058 4.350 -0.000 0.000 0.302 296 T C 0.091 174.841 174.700 0.084 0.000 1.045 296 T CA -0.194 62.022 62.100 0.194 0.000 1.114 296 T CB 1.615 70.602 68.868 0.199 0.000 0.965 296 T HN 0.677 nan 8.240 nan 0.000 0.540 297 A N 3.034 125.893 122.820 0.064 0.000 2.566 297 A HA 0.724 5.044 4.320 -0.000 0.000 0.290 297 A C -3.167 174.421 177.584 0.006 0.000 1.071 297 A CA -1.694 50.350 52.037 0.012 0.000 0.658 297 A CB 0.206 19.211 19.000 0.008 0.000 1.285 297 A HN 0.650 nan 8.150 nan 0.000 0.427 298 P HA 0.212 nan 4.420 nan 0.000 0.267 298 P C -0.254 177.068 177.300 0.036 0.000 1.200 298 P CA 0.456 63.566 63.100 0.017 0.000 0.772 298 P CB 0.124 31.828 31.700 0.007 0.000 0.855 299 H N 4.557 123.614 119.070 -0.022 0.000 3.073 299 H HA -0.023 4.532 4.556 -0.000 0.000 0.340 299 H C -1.207 174.113 175.328 -0.014 0.000 1.054 299 H CA -0.426 55.608 56.048 -0.023 0.000 1.372 299 H CB 0.250 30.000 29.762 -0.020 0.000 1.314 299 H HN 0.332 nan 8.280 nan 0.000 0.603 300 P HA 0.133 nan 4.420 nan 0.000 0.256 300 P C -0.402 176.668 177.300 -0.383 0.000 1.384 300 P CA 0.195 62.711 63.100 -0.974 0.000 0.879 300 P CB -0.086 31.183 31.700 -0.719 0.000 1.403 301 A N 0.470 123.180 122.820 -0.183 0.000 2.262 301 A HA 0.246 4.566 4.320 -0.000 0.000 0.273 301 A C -0.205 177.367 177.584 -0.019 0.000 1.202 301 A CA -0.508 51.493 52.037 -0.059 0.000 0.811 301 A CB -0.534 18.459 19.000 -0.011 0.000 1.159 301 A HN 0.174 nan 8.150 nan 0.000 0.505 302 F N 1.768 121.661 119.950 -0.095 0.000 2.578 302 F HA 0.303 4.830 4.527 -0.000 0.000 0.381 302 F C -1.674 174.089 175.800 -0.061 0.000 1.069 302 F CA -1.638 56.294 58.000 -0.112 0.000 1.231 302 F CB 0.604 39.505 39.000 -0.164 0.000 1.086 302 F HN 0.255 nan 8.300 nan 0.000 0.564 303 P HA -0.009 nan 4.420 nan 0.000 0.276 303 P C 0.287 177.488 177.300 -0.165 0.000 1.230 303 P CA -0.099 62.837 63.100 -0.274 0.000 0.776 303 P CB 1.519 33.065 31.700 -0.256 0.000 0.888 304 T N 1.081 115.661 114.554 0.043 0.000 2.929 304 T HA -0.113 4.237 4.350 -0.000 0.000 0.271 304 T C 0.954 175.739 174.700 0.141 0.000 1.085 304 T CA 1.484 63.678 62.100 0.157 0.000 1.125 304 T CB -0.642 68.347 68.868 0.201 0.000 0.874 304 T HN 0.316 nan 8.240 nan 0.000 0.494 305 D N 0.411 120.850 120.400 0.065 0.000 2.371 305 D HA 0.046 4.686 4.640 -0.000 0.000 0.221 305 D C 1.356 177.682 176.300 0.044 0.000 0.986 305 D CA 0.513 54.544 54.000 0.052 0.000 0.899 305 D CB 0.102 40.920 40.800 0.030 0.000 0.902 305 D HN 0.411 nan 8.370 nan 0.000 0.530 306 M N -0.025 119.580 119.600 0.008 0.000 2.333 306 M HA 0.053 4.533 4.480 -0.000 0.000 0.257 306 M C 1.671 178.215 176.300 0.407 0.000 1.078 306 M CA 0.110 55.476 55.300 0.111 0.000 1.005 306 M CB 0.371 32.864 32.600 -0.180 0.000 1.444 306 M HN -0.034 nan 8.290 nan 0.000 0.496 307 Q N 0.988 121.019 119.800 0.385 0.000 2.050 307 Q HA -0.116 4.223 4.340 -0.000 0.000 0.202 307 Q C 1.745 177.906 176.000 0.268 0.000 0.980 307 Q CA 2.138 58.209 55.803 0.446 0.000 0.840 307 Q CB 0.092 29.055 28.738 0.376 0.000 0.898 307 Q HN 0.453 nan 8.270 nan 0.000 0.424 308 A N 0.576 123.400 122.820 0.007 0.000 1.902 308 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 308 A C 2.008 179.523 177.584 -0.116 0.000 1.181 308 A CA 1.742 53.504 52.037 -0.459 0.000 0.623 308 A CB -0.524 18.053 19.000 -0.705 0.000 0.818 308 A HN 0.476 nan 8.150 nan 0.000 0.443 309 Q N -1.190 118.637 119.800 0.045 0.000 2.084 309 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 309 Q C 1.642 177.696 176.000 0.090 0.000 0.978 309 Q CA 1.724 57.567 55.803 0.067 0.000 0.844 309 Q CB -0.455 28.353 28.738 0.117 0.000 0.898 309 Q HN 0.683 nan 8.270 nan 0.000 0.426 310 F N 0.004 120.025 119.950 0.118 0.000 2.407 310 F HA -0.087 4.439 4.527 -0.001 0.000 0.299 310 F C 2.130 177.957 175.800 0.046 0.000 1.097 310 F CA 1.069 59.128 58.000 0.098 0.000 1.422 310 F CB -0.307 38.764 39.000 0.117 0.000 1.067 310 F HN 0.020 nan 8.300 nan 0.000 0.539 311 T N 0.503 115.190 114.554 0.223 0.000 2.746 311 T HA -0.192 4.157 4.350 -0.000 0.000 0.267 311 T C 2.025 176.778 174.700 0.088 0.000 1.039 311 T CA 1.341 63.543 62.100 0.170 0.000 1.142 311 T CB -0.510 68.566 68.868 0.346 0.000 0.866 311 T HN 0.150 nan 8.240 nan 0.000 0.444 312 L N 1.318 122.581 121.223 0.067 0.000 2.017 312 L HA 0.088 4.427 4.340 -0.000 0.000 0.208 312 L C 2.218 179.065 176.870 -0.040 0.000 1.073 312 L CA 1.511 56.358 54.840 0.010 0.000 0.745 312 L CB -0.957 41.093 42.059 -0.015 0.000 0.894 312 L HN 0.262 nan 8.230 nan 0.000 0.432 313 L N -0.335 120.832 121.223 -0.094 0.000 2.043 313 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 313 L C 2.213 179.038 176.870 -0.075 0.000 1.075 313 L CA 1.796 56.551 54.840 -0.143 0.000 0.752 313 L CB -0.535 41.325 42.059 -0.332 0.000 0.891 313 L HN 0.415 nan 8.230 nan 0.000 0.432 314 N N -0.103 118.575 118.700 -0.035 0.000 2.244 314 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 314 N C 1.835 177.331 175.510 -0.023 0.000 1.016 314 N CA 1.240 54.279 53.050 -0.019 0.000 0.866 314 N CB -0.268 38.213 38.487 -0.010 0.000 0.980 314 N HN 0.394 nan 8.380 nan 0.000 0.430 315 L N 0.557 121.766 121.223 -0.023 0.000 2.362 315 L HA -0.048 4.292 4.340 -0.000 0.000 0.219 315 L C 1.507 178.361 176.870 -0.026 0.000 1.134 315 L CA 0.645 55.470 54.840 -0.025 0.000 0.807 315 L CB -0.073 41.969 42.059 -0.027 0.000 0.927 315 L HN 0.071 nan 8.230 nan 0.000 0.447 316 V N -4.703 115.194 119.914 -0.029 0.000 3.276 316 V HA 0.533 4.653 4.120 -0.000 0.000 0.319 316 V C 0.687 176.771 176.094 -0.017 0.000 1.427 316 V CA -0.235 62.050 62.300 -0.026 0.000 1.102 316 V CB -0.231 31.572 31.823 -0.034 0.000 1.020 316 V HN 0.103 nan 8.190 nan 0.000 0.456 317 A N 0.441 123.253 122.820 -0.013 0.000 2.248 317 A HA 0.738 5.057 4.320 -0.000 0.000 0.316 317 A C -0.011 177.579 177.584 0.010 0.000 1.101 317 A CA -0.701 51.332 52.037 -0.005 0.000 0.875 317 A CB 0.557 19.552 19.000 -0.010 0.000 1.207 317 A HN 0.561 nan 8.150 nan 0.000 0.504 318 E N -0.029 120.179 120.200 0.014 0.000 2.167 318 E HA 0.480 4.830 4.350 -0.000 0.000 0.284 318 E C 0.356 176.971 176.600 0.024 0.000 1.016 318 E CA 0.559 56.972 56.400 0.022 0.000 0.817 318 E CB 0.932 30.644 29.700 0.020 0.000 1.080 318 E HN 1.272 nan 8.360 nan 0.000 0.397 319 G N 2.348 111.169 108.800 0.035 0.000 2.422 319 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.607 319 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.607 319 G C -0.641 174.279 174.900 0.033 0.000 1.270 319 G CA -1.007 44.114 45.100 0.035 0.000 0.992 319 G HN 0.395 nan 8.290 nan 0.000 0.499 320 T N 1.009 115.573 114.554 0.018 0.000 2.749 320 T HA 0.646 4.996 4.350 -0.000 0.000 0.287 320 T C 0.642 175.306 174.700 -0.060 0.000 0.970 320 T CA 0.513 62.593 62.100 -0.032 0.000 0.980 320 T CB 1.343 70.207 68.868 -0.007 0.000 0.924 320 T HN 1.462 nan 8.240 nan 0.000 0.456 321 G N 1.609 110.350 108.800 -0.097 0.000 2.416 321 G HA2 0.612 4.572 3.960 -0.000 0.000 0.329 321 G HA3 0.612 4.572 3.960 -0.000 0.000 0.329 321 G C -1.079 173.758 174.900 -0.105 0.000 1.173 321 G CA -0.530 44.525 45.100 -0.075 0.000 0.929 321 G HN 0.646 nan 8.290 nan 0.000 0.475 322 V N 3.433 123.300 119.914 -0.079 0.000 2.487 322 V HA 0.417 4.537 4.120 -0.000 0.000 0.298 322 V C -0.560 175.496 176.094 -0.064 0.000 1.028 322 V CA -0.805 61.447 62.300 -0.079 0.000 0.860 322 V CB 1.553 33.340 31.823 -0.060 0.000 0.991 322 V HN 0.560 nan 8.190 nan 0.000 0.427 323 I N 3.593 124.131 120.570 -0.053 0.000 2.362 323 I HA 0.459 4.629 4.170 -0.000 0.000 0.289 323 I C 0.085 176.260 176.117 0.096 0.000 0.994 323 I CA -0.048 61.251 61.300 -0.002 0.000 1.158 323 I CB 1.825 39.846 38.000 0.036 0.000 1.315 323 I HN 0.521 nan 8.210 nan 0.000 0.451 324 T N 4.953 119.567 114.554 0.099 0.000 2.786 324 T HA 0.274 4.624 4.350 -0.000 0.000 0.283 324 T C -0.180 174.615 174.700 0.158 0.000 0.992 324 T CA -0.466 61.725 62.100 0.152 0.000 0.954 324 T CB 1.587 70.495 68.868 0.067 0.000 0.934 324 T HN 0.432 nan 8.240 nan 0.000 0.440 325 E N 2.087 122.400 120.200 0.188 0.000 2.109 325 E HA 0.371 4.721 4.350 -0.000 0.000 0.278 325 E C 0.949 177.541 176.600 -0.013 0.000 0.954 325 E CA -0.548 55.888 56.400 0.060 0.000 0.779 325 E CB 0.749 30.373 29.700 -0.127 0.000 1.093 325 E HN 0.642 nan 8.360 nan 0.000 0.401 326 T N 2.122 116.669 114.554 -0.011 0.000 3.023 326 T HA 0.157 4.506 4.350 -0.000 0.000 0.253 326 T C 1.232 175.869 174.700 -0.104 0.000 1.038 326 T CA -0.095 61.978 62.100 -0.045 0.000 0.962 326 T CB 0.004 68.855 68.868 -0.029 0.000 1.018 326 T HN 0.376 nan 8.240 nan 0.000 0.521 327 I N 0.139 120.621 120.570 -0.147 0.000 2.385 327 I HA 0.364 4.533 4.170 -0.000 0.000 0.244 327 I C 0.396 176.202 176.117 -0.517 0.000 1.089 327 I CA 0.188 61.271 61.300 -0.362 0.000 1.410 327 I CB -0.780 36.949 38.000 -0.452 0.000 1.117 327 I HN 0.215 nan 8.210 nan 0.000 0.429 328 F N 1.808 121.720 119.950 -0.064 0.000 2.508 328 F HA 0.233 4.759 4.527 -0.000 0.000 0.325 328 F C 1.552 177.273 175.800 -0.131 0.000 1.090 328 F CA -0.740 57.212 58.000 -0.080 0.000 0.945 328 F CB 1.314 40.272 39.000 -0.070 0.000 1.156 328 F HN 0.022 nan 8.300 nan 0.000 0.463 329 E N 0.901 121.155 120.200 0.091 0.000 2.489 329 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 329 E C -0.353 176.214 176.600 -0.055 0.000 1.057 329 E CA 0.601 56.991 56.400 -0.017 0.000 0.866 329 E CB -0.043 29.656 29.700 -0.000 0.000 0.916 329 E HN 0.771 nan 8.360 nan 0.000 0.500 330 N N 0.450 119.127 118.700 -0.039 0.000 2.646 330 N HA 0.128 4.868 4.740 -0.000 0.000 0.296 330 N C -0.491 174.981 175.510 -0.064 0.000 1.886 330 N CA -0.166 52.851 53.050 -0.055 0.000 0.855 330 N CB 0.438 38.912 38.487 -0.021 0.000 1.336 330 N HN -0.075 nan 8.380 nan 0.000 0.496 331 R N 0.771 121.186 120.500 -0.141 0.000 2.865 331 R HA 0.255 4.595 4.340 -0.000 0.000 0.370 331 R C -0.528 175.868 176.300 0.160 0.000 1.168 331 R CA -0.134 55.949 56.100 -0.029 0.000 1.058 331 R CB -0.055 30.247 30.300 0.003 0.000 1.419 331 R HN 0.298 nan 8.270 nan 0.000 0.580 332 F N -0.440 119.567 119.950 0.095 0.000 2.724 332 F HA 0.143 4.669 4.527 -0.001 0.000 0.310 332 F C 1.357 177.030 175.800 -0.212 0.000 1.107 332 F CA -0.457 57.500 58.000 -0.072 0.000 1.218 332 F CB 0.661 39.614 39.000 -0.078 0.000 1.042 332 F HN 0.089 nan 8.300 nan 0.000 0.540 333 M N 0.294 119.982 119.600 0.147 0.000 2.435 333 M HA -0.214 4.266 4.480 -0.000 0.000 0.262 333 M C 2.289 178.609 176.300 0.033 0.000 1.065 333 M CA 1.395 56.733 55.300 0.063 0.000 1.076 333 M CB -0.623 32.007 32.600 0.051 0.000 1.403 333 M HN 0.303 nan 8.290 nan 0.000 0.454 334 H N -1.244 117.857 119.070 0.053 0.000 2.502 334 H HA 0.072 4.627 4.556 -0.000 0.000 0.283 334 H C 2.014 177.350 175.328 0.014 0.000 1.015 334 H CA 0.928 56.989 56.048 0.021 0.000 1.298 334 H CB -1.096 28.683 29.762 0.028 0.000 1.411 334 H HN 0.240 nan 8.280 nan 0.000 0.556 335 V N 2.469 122.082 119.914 -0.502 0.000 2.237 335 V HA -0.169 3.950 4.120 -0.000 0.000 0.245 335 V C -0.247 175.767 176.094 -0.134 0.000 1.046 335 V CA 2.211 64.319 62.300 -0.321 0.000 1.007 335 V CB -1.414 30.178 31.823 -0.384 0.000 0.638 335 V HN 0.398 nan 8.190 nan 0.000 0.445 336 P HA -0.141 nan 4.420 nan 0.000 0.216 336 P C 1.573 178.857 177.300 -0.027 0.000 1.150 336 P CA 1.278 64.351 63.100 -0.044 0.000 0.843 336 P CB -0.021 31.665 31.700 -0.025 0.000 0.787 337 E N -0.520 119.668 120.200 -0.020 0.000 2.072 337 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 337 E C 2.147 178.743 176.600 -0.006 0.000 0.982 337 E CA 0.923 57.321 56.400 -0.004 0.000 0.803 337 E CB -0.939 28.767 29.700 0.011 0.000 0.755 337 E HN 0.315 nan 8.360 nan 0.000 0.453 338 L N 0.650 121.868 121.223 -0.008 0.000 2.131 338 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 338 L C 2.491 179.341 176.870 -0.033 0.000 1.092 338 L CA 0.643 55.476 54.840 -0.012 0.000 0.759 338 L CB -0.337 41.722 42.059 0.001 0.000 0.903 338 L HN 0.085 nan 8.230 nan 0.000 0.435 339 I N -0.491 120.058 120.570 -0.034 0.000 2.286 339 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 339 I C 2.586 178.688 176.117 -0.024 0.000 1.115 339 I CA 1.134 62.416 61.300 -0.030 0.000 1.392 339 I CB -0.267 37.725 38.000 -0.014 0.000 1.065 339 I HN 0.210 nan 8.210 nan 0.000 0.418 340 R N 0.283 120.773 120.500 -0.016 0.000 2.193 340 R HA -0.075 4.265 4.340 -0.000 0.000 0.229 340 R C 1.732 178.022 176.300 -0.017 0.000 1.110 340 R CA 1.050 57.144 56.100 -0.010 0.000 0.988 340 R CB -0.119 30.179 30.300 -0.004 0.000 0.871 340 R HN 0.378 nan 8.270 nan 0.000 0.458 341 M N -0.818 118.766 119.600 -0.027 0.000 2.505 341 M HA 0.175 4.654 4.480 -0.000 0.000 0.230 341 M C 0.667 176.931 176.300 -0.059 0.000 1.153 341 M CA 0.347 55.627 55.300 -0.034 0.000 0.997 341 M CB 1.290 33.873 32.600 -0.029 0.000 1.606 341 M HN 0.377 nan 8.290 nan 0.000 0.481 342 G N 0.521 109.275 108.800 -0.077 0.000 2.175 342 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.244 342 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.244 342 G C 0.175 174.895 174.900 -0.301 0.000 0.982 342 G CA -0.029 44.987 45.100 -0.141 0.000 0.641 342 G HN 0.659 nan 8.290 nan 0.000 0.527 343 A N 0.514 123.203 122.820 -0.218 0.000 2.351 343 A HA 0.650 4.969 4.320 -0.000 0.000 0.257 343 A C 0.075 177.512 177.584 -0.245 0.000 1.087 343 A CA -0.146 51.744 52.037 -0.245 0.000 0.798 343 A CB 0.270 19.206 19.000 -0.106 0.000 1.033 343 A HN 0.482 nan 8.150 nan 0.000 0.488 344 H N 0.202 119.290 119.070 0.030 0.000 2.551 344 H HA 0.691 5.247 4.556 -0.000 0.000 0.321 344 H C -0.121 175.261 175.328 0.091 0.000 1.028 344 H CA 0.219 56.305 56.048 0.064 0.000 1.215 344 H CB 1.279 31.094 29.762 0.089 0.000 1.414 344 H HN 0.919 nan 8.280 nan 0.000 0.480 345 A N 2.836 125.761 122.820 0.175 0.000 2.604 345 A HA 0.589 4.908 4.320 -0.000 0.000 0.295 345 A C -1.182 176.420 177.584 0.030 0.000 1.067 345 A CA -0.845 51.227 52.037 0.059 0.000 0.683 345 A CB 1.749 20.711 19.000 -0.063 0.000 1.281 345 A HN 0.541 nan 8.150 nan 0.000 0.407 346 E N 0.584 120.776 120.200 -0.012 0.000 2.234 346 E HA 0.608 4.957 4.350 -0.000 0.000 0.266 346 E C -1.154 175.398 176.600 -0.080 0.000 0.877 346 E CA -0.189 56.201 56.400 -0.016 0.000 0.758 346 E CB 2.056 31.776 29.700 0.034 0.000 1.170 346 E HN 0.532 nan 8.360 nan 0.000 0.415 347 I N 2.362 122.890 120.570 -0.071 0.000 2.315 347 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 347 I C -0.266 175.855 176.117 0.007 0.000 1.006 347 I CA -0.514 60.743 61.300 -0.072 0.000 1.265 347 I CB 1.149 39.131 38.000 -0.030 0.000 1.387 347 I HN 0.353 nan 8.210 nan 0.000 0.475 348 E N 5.205 125.421 120.200 0.027 0.000 2.267 348 E HA 0.390 4.740 4.350 -0.000 0.000 0.248 348 E C -0.008 176.642 176.600 0.083 0.000 0.899 348 E CA 0.085 56.512 56.400 0.045 0.000 0.764 348 E CB 1.217 30.932 29.700 0.025 0.000 1.227 348 E HN 0.643 nan 8.360 nan 0.000 0.421 349 S N 3.805 119.558 115.700 0.089 0.000 4.114 349 S HA -0.305 4.165 4.470 -0.000 0.000 0.618 349 S C 0.661 175.360 174.600 0.165 0.000 1.937 349 S CA 1.685 59.942 58.200 0.095 0.000 4.228 349 S CB -1.160 62.078 63.200 0.064 0.000 0.216 349 S HN 0.761 nan 8.310 nan 0.000 0.528 350 N N 1.841 120.629 118.700 0.147 0.000 2.327 350 N HA 0.245 4.985 4.740 -0.000 0.000 0.231 350 N C -0.374 175.358 175.510 0.371 0.000 1.130 350 N CA 0.406 53.569 53.050 0.189 0.000 0.845 350 N CB 0.035 38.545 38.487 0.040 0.000 1.073 350 N HN 0.442 nan 8.380 nan 0.000 0.496 351 T N 0.066 114.822 114.554 0.337 0.000 2.876 351 T HA 0.443 4.793 4.350 -0.000 0.000 0.289 351 T C -0.728 173.971 174.700 -0.001 0.000 1.014 351 T CA -0.496 61.728 62.100 0.207 0.000 0.986 351 T CB 2.545 71.464 68.868 0.084 0.000 1.021 351 T HN -0.117 nan 8.240 nan 0.000 0.458 352 V N 3.965 123.757 119.914 -0.204 0.000 2.409 352 V HA 0.484 4.604 4.120 -0.000 0.000 0.291 352 V C -0.276 175.685 176.094 -0.220 0.000 1.020 352 V CA -0.799 61.275 62.300 -0.377 0.000 0.848 352 V CB 1.384 32.788 31.823 -0.697 0.000 0.990 352 V HN 0.780 nan 8.190 nan 0.000 0.430 353 I N 4.401 124.857 120.570 -0.191 0.000 2.297 353 I HA 0.343 4.512 4.170 -0.000 0.000 0.291 353 I C -0.140 175.775 176.117 -0.336 0.000 1.033 353 I CA -0.029 61.138 61.300 -0.221 0.000 1.253 353 I CB 0.832 38.737 38.000 -0.158 0.000 1.396 353 I HN 0.541 nan 8.210 nan 0.000 0.476 354 C N 5.447 124.536 119.300 -0.352 0.000 2.358 354 C HA 0.439 4.899 4.460 -0.000 0.000 0.342 354 C C 0.115 174.832 174.990 -0.455 0.000 1.234 354 C CA -0.608 58.223 59.018 -0.312 0.000 1.969 354 C CB 0.280 27.930 27.740 -0.150 0.000 2.346 354 C HN 0.614 nan 8.230 nan 0.000 0.525 355 H N 1.273 120.360 119.070 0.028 0.000 2.791 355 H HA 0.278 4.833 4.556 -0.001 0.000 0.272 355 H C 0.557 175.923 175.328 0.063 0.000 1.188 355 H CA -0.018 56.060 56.048 0.050 0.000 1.436 355 H CB 0.931 30.738 29.762 0.073 0.000 1.467 355 H HN 0.959 nan 8.280 nan 0.000 0.500 356 G N 1.958 110.817 108.800 0.098 0.000 2.321 356 G HA2 0.252 4.212 3.960 -0.000 0.000 0.237 356 G HA3 0.252 4.212 3.960 -0.000 0.000 0.237 356 G C 0.551 175.493 174.900 0.070 0.000 1.282 356 G CA -0.106 45.027 45.100 0.056 0.000 0.886 356 G HN 0.410 nan 8.290 nan 0.000 0.528 357 V N 0.418 120.346 119.914 0.022 0.000 2.881 357 V HA 0.616 4.735 4.120 -0.000 0.000 0.316 357 V C 1.186 177.279 176.094 -0.002 0.000 1.070 357 V CA -0.582 61.725 62.300 0.013 0.000 0.976 357 V CB 1.950 33.735 31.823 -0.063 0.000 1.038 357 V HN 0.701 nan 8.190 nan 0.000 0.446 358 E N 1.517 121.720 120.200 0.005 0.000 2.023 358 E HA -0.070 4.280 4.350 -0.000 0.000 0.196 358 E C 0.372 176.966 176.600 -0.011 0.000 1.003 358 E CA 1.790 58.190 56.400 0.001 0.000 0.809 358 E CB 0.145 29.849 29.700 0.006 0.000 0.755 358 E HN 0.694 nan 8.360 nan 0.000 0.449 359 K N -0.444 119.944 120.400 -0.019 0.000 2.502 359 K HA 0.358 4.678 4.320 -0.000 0.000 0.257 359 K C -0.752 175.825 176.600 -0.039 0.000 0.938 359 K CA -0.611 55.661 56.287 -0.024 0.000 0.819 359 K CB 1.683 34.173 32.500 -0.016 0.000 1.333 359 K HN 0.057 nan 8.250 nan 0.000 0.434 360 L N 0.739 121.939 121.223 -0.040 0.000 2.416 360 L HA 0.445 4.785 4.340 -0.000 0.000 0.262 360 L C 0.230 177.080 176.870 -0.034 0.000 1.093 360 L CA -0.636 54.175 54.840 -0.048 0.000 0.801 360 L CB 1.252 43.284 42.059 -0.044 0.000 1.191 360 L HN 0.461 nan 8.230 nan 0.000 0.459 361 S N -0.165 115.515 115.700 -0.034 0.000 2.454 361 S HA 0.462 4.932 4.470 -0.000 0.000 0.306 361 S C 0.186 174.776 174.600 -0.016 0.000 1.100 361 S CA -0.717 57.470 58.200 -0.022 0.000 1.087 361 S CB 1.638 64.826 63.200 -0.019 0.000 1.019 361 S HN 0.775 nan 8.310 nan 0.000 0.480 362 G N 1.576 110.370 108.800 -0.011 0.000 2.414 362 G HA2 0.491 4.451 3.960 -0.000 0.000 0.236 362 G HA3 0.491 4.451 3.960 -0.000 0.000 0.236 362 G C -0.205 174.694 174.900 -0.003 0.000 1.293 362 G CA 0.123 45.220 45.100 -0.006 0.000 0.869 362 G HN 1.019 nan 8.290 nan 0.000 0.556 363 A N 1.821 124.641 122.820 0.001 0.000 2.586 363 A HA 0.665 4.985 4.320 -0.000 0.000 0.290 363 A C -0.600 176.990 177.584 0.009 0.000 1.086 363 A CA -0.787 51.252 52.037 0.004 0.000 0.665 363 A CB 0.938 19.938 19.000 -0.000 0.000 1.279 363 A HN 0.666 nan 8.150 nan 0.000 0.423 364 Q N 0.413 120.219 119.800 0.011 0.000 2.294 364 Q HA 0.504 4.844 4.340 -0.000 0.000 0.257 364 Q C -0.103 175.905 176.000 0.013 0.000 0.955 364 Q CA -0.473 55.340 55.803 0.016 0.000 0.936 364 Q CB 1.421 30.169 28.738 0.017 0.000 1.188 364 Q HN 0.917 nan 8.270 nan 0.000 0.420 365 V N -0.360 119.563 119.914 0.015 0.000 3.126 365 V HA 0.698 4.818 4.120 -0.000 0.000 0.314 365 V C -0.769 175.331 176.094 0.010 0.000 1.138 365 V CA -1.300 61.007 62.300 0.011 0.000 1.034 365 V CB 2.267 34.095 31.823 0.008 0.000 1.075 365 V HN 0.834 nan 8.190 nan 0.000 0.442 366 M N 2.427 122.030 119.600 0.006 0.000 2.253 366 M HA 0.801 5.281 4.480 -0.000 0.000 0.314 366 M C -0.173 176.116 176.300 -0.018 0.000 1.019 366 M CA -0.639 54.663 55.300 0.003 0.000 0.932 366 M CB 1.542 34.151 32.600 0.015 0.000 1.606 366 M HN 1.210 nan 8.290 nan 0.000 0.430 367 A N 2.820 125.618 122.820 -0.037 0.000 2.401 367 A HA 0.465 4.784 4.320 -0.000 0.000 0.259 367 A C 0.811 178.298 177.584 -0.161 0.000 1.103 367 A CA 0.072 52.050 52.037 -0.098 0.000 0.789 367 A CB 0.022 18.954 19.000 -0.112 0.000 1.035 367 A HN 0.957 nan 8.150 nan 0.000 0.491 368 T N -1.455 112.927 114.554 -0.287 0.000 2.969 368 T HA 0.351 4.701 4.350 -0.000 0.000 0.250 368 T C 0.008 174.268 174.700 -0.732 0.000 1.021 368 T CA 0.660 62.545 62.100 -0.358 0.000 1.003 368 T CB -0.387 68.395 68.868 -0.142 0.000 1.040 368 T HN 0.860 nan 8.240 nan 0.000 0.492 369 D N -0.793 119.162 120.400 -0.741 0.000 2.671 369 D HA 0.390 5.029 4.640 -0.000 0.000 0.273 369 D C 0.676 176.767 176.300 -0.348 0.000 1.264 369 D CA -0.943 52.704 54.000 -0.589 0.000 0.788 369 D CB 0.763 41.395 40.800 -0.280 0.000 1.324 369 D HN -0.110 nan 8.370 nan 0.000 0.424 370 L N 0.732 121.864 121.223 -0.152 0.000 1.965 370 L HA -0.180 4.160 4.340 -0.000 0.000 0.226 370 L C 1.993 178.879 176.870 0.027 0.000 1.083 370 L CA 2.007 56.842 54.840 -0.008 0.000 0.790 370 L CB -0.694 41.384 42.059 0.032 0.000 0.898 370 L HN 0.525 nan 8.230 nan 0.000 0.439 371 R N -0.054 120.452 120.500 0.010 0.000 2.115 371 R HA 0.014 4.354 4.340 -0.000 0.000 0.230 371 R C 2.178 178.436 176.300 -0.069 0.000 1.111 371 R CA 1.263 57.376 56.100 0.022 0.000 0.976 371 R CB -1.567 28.739 30.300 0.009 0.000 0.870 371 R HN 0.601 nan 8.270 nan 0.000 0.445 372 A N 1.381 124.138 122.820 -0.105 0.000 1.898 372 A HA -0.177 4.142 4.320 -0.000 0.000 0.216 372 A C 2.380 179.910 177.584 -0.091 0.000 1.181 372 A CA 1.981 53.957 52.037 -0.102 0.000 0.620 372 A CB -0.599 18.376 19.000 -0.042 0.000 0.819 372 A HN 0.458 nan 8.150 nan 0.000 0.442 373 S N 0.343 115.970 115.700 -0.121 0.000 2.368 373 S HA -0.016 4.454 4.470 -0.000 0.000 0.225 373 S C 2.108 176.627 174.600 -0.135 0.000 1.030 373 S CA 1.460 59.584 58.200 -0.126 0.000 0.999 373 S CB -0.738 62.376 63.200 -0.143 0.000 0.844 373 S HN 0.931 nan 8.310 nan 0.000 0.459 374 A N 1.608 124.324 122.820 -0.173 0.000 1.933 374 A HA 0.022 4.341 4.320 -0.000 0.000 0.218 374 A C 2.467 179.933 177.584 -0.196 0.000 1.175 374 A CA 1.823 53.682 52.037 -0.296 0.000 0.628 374 A CB -1.199 17.521 19.000 -0.468 0.000 0.814 374 A HN 0.574 nan 8.150 nan 0.000 0.444 375 S N -0.051 115.570 115.700 -0.132 0.000 2.368 375 S HA -0.071 4.399 4.470 -0.000 0.000 0.225 375 S C 1.801 176.367 174.600 -0.058 0.000 1.030 375 S CA 1.384 59.529 58.200 -0.093 0.000 0.999 375 S CB -0.424 62.723 63.200 -0.088 0.000 0.844 375 S HN 0.525 nan 8.310 nan 0.000 0.459 376 L N 0.983 122.180 121.223 -0.043 0.000 2.093 376 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 376 L C 2.308 179.170 176.870 -0.014 0.000 1.085 376 L CA 0.799 55.629 54.840 -0.017 0.000 0.755 376 L CB -0.722 41.330 42.059 -0.012 0.000 0.904 376 L HN 0.207 nan 8.230 nan 0.000 0.435 377 V N 0.210 120.111 119.914 -0.021 0.000 2.358 377 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 377 V C 2.436 178.516 176.094 -0.024 0.000 1.047 377 V CA 1.525 63.837 62.300 0.021 0.000 1.035 377 V CB -0.317 31.545 31.823 0.066 0.000 0.658 377 V HN 0.341 nan 8.190 nan 0.000 0.452 378 L N 0.036 121.217 121.223 -0.070 0.000 2.046 378 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 378 L C 2.766 179.608 176.870 -0.047 0.000 1.077 378 L CA 1.592 56.388 54.840 -0.074 0.000 0.747 378 L CB -0.870 41.126 42.059 -0.105 0.000 0.896 378 L HN 0.381 nan 8.230 nan 0.000 0.432 379 A N 0.453 123.250 122.820 -0.038 0.000 1.908 379 A HA -0.168 4.151 4.320 -0.000 0.000 0.218 379 A C 2.394 179.965 177.584 -0.020 0.000 1.181 379 A CA 1.859 53.880 52.037 -0.027 0.000 0.627 379 A CB -1.244 17.745 19.000 -0.017 0.000 0.818 379 A HN 0.461 nan 8.150 nan 0.000 0.445 380 G N -1.097 107.696 108.800 -0.012 0.000 2.422 380 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.218 380 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.218 380 G C 1.517 176.408 174.900 -0.015 0.000 1.146 380 G CA 1.269 46.365 45.100 -0.006 0.000 0.769 380 G HN 0.539 nan 8.290 nan 0.000 0.547 381 C N 0.753 120.040 119.300 -0.021 0.000 2.422 381 C HA 0.044 4.504 4.460 -0.000 0.000 0.279 381 C C 2.608 177.586 174.990 -0.021 0.000 1.305 381 C CA 0.861 59.864 59.018 -0.024 0.000 1.757 381 C CB -0.909 26.815 27.740 -0.027 0.000 1.962 381 C HN 0.663 nan 8.230 nan 0.000 0.499 382 I N -1.244 119.312 120.570 -0.023 0.000 3.968 382 I HA 0.377 4.546 4.170 -0.000 0.000 0.328 382 I C 1.084 177.189 176.117 -0.020 0.000 1.290 382 I CA -0.104 61.183 61.300 -0.021 0.000 1.163 382 I CB -0.405 37.580 38.000 -0.026 0.000 1.024 382 I HN 0.057 nan 8.210 nan 0.000 0.413 383 A N 1.632 124.440 122.820 -0.020 0.000 2.313 383 A HA 0.323 4.642 4.320 -0.000 0.000 0.261 383 A C -0.133 177.442 177.584 -0.015 0.000 1.090 383 A CA -0.156 51.870 52.037 -0.019 0.000 0.807 383 A CB 0.282 19.271 19.000 -0.018 0.000 1.055 383 A HN 0.382 nan 8.150 nan 0.000 0.492 384 E N -0.084 120.108 120.200 -0.014 0.000 2.223 384 E HA 0.478 4.828 4.350 -0.000 0.000 0.282 384 E C 0.781 177.376 176.600 -0.009 0.000 1.046 384 E CA 1.511 57.905 56.400 -0.011 0.000 0.857 384 E CB 0.206 29.900 29.700 -0.010 0.000 1.055 384 E HN 1.482 nan 8.360 nan 0.000 0.409 385 G N 3.125 111.920 108.800 -0.008 0.000 2.466 385 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 385 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 385 G C -0.527 174.370 174.900 -0.005 0.000 1.237 385 G CA -0.321 44.775 45.100 -0.006 0.000 0.954 385 G HN 0.606 nan 8.290 nan 0.000 0.580 386 T N 1.401 115.953 114.554 -0.002 0.000 2.767 386 T HA 0.665 5.015 4.350 -0.000 0.000 0.284 386 T C -0.134 174.570 174.700 0.006 0.000 0.973 386 T CA 0.351 62.452 62.100 0.001 0.000 0.996 386 T CB 1.518 70.388 68.868 0.004 0.000 0.927 386 T HN 0.733 nan 8.240 nan 0.000 0.456 387 T N 2.767 117.326 114.554 0.010 0.000 2.807 387 T HA 0.537 4.887 4.350 -0.000 0.000 0.279 387 T C -0.462 174.258 174.700 0.033 0.000 0.993 387 T CA -0.535 61.575 62.100 0.017 0.000 0.970 387 T CB 1.264 70.140 68.868 0.014 0.000 0.950 387 T HN 0.326 nan 8.240 nan 0.000 0.441 388 V N 3.930 123.865 119.914 0.037 0.000 2.350 388 V HA 0.358 4.478 4.120 -0.000 0.000 0.285 388 V C -0.183 175.942 176.094 0.053 0.000 1.014 388 V CA -0.798 61.534 62.300 0.053 0.000 0.831 388 V CB 1.584 33.433 31.823 0.043 0.000 1.000 388 V HN 0.727 nan 8.190 nan 0.000 0.433 389 V N 3.943 123.903 119.914 0.076 0.000 2.334 389 V HA 0.277 4.397 4.120 -0.000 0.000 0.267 389 V C 0.131 176.233 176.094 0.014 0.000 1.040 389 V CA -0.385 61.939 62.300 0.041 0.000 0.866 389 V CB 1.223 33.072 31.823 0.044 0.000 1.019 389 V HN 0.882 nan 8.190 nan 0.000 0.468 390 D N 4.108 124.514 120.400 0.010 0.000 2.339 390 D HA 0.303 4.943 4.640 -0.000 0.000 0.245 390 D C 0.806 177.100 176.300 -0.011 0.000 1.115 390 D CA -0.136 53.871 54.000 0.013 0.000 0.917 390 D CB 0.476 41.294 40.800 0.030 0.000 1.192 390 D HN 0.512 nan 8.370 nan 0.000 0.428 391 R N 1.721 122.227 120.500 0.010 0.000 3.423 391 R HA -0.184 4.155 4.340 -0.000 0.000 0.271 391 R C 0.811 176.969 176.300 -0.237 0.000 1.093 391 R CA 0.564 56.656 56.100 -0.013 0.000 0.730 391 R CB -2.250 28.066 30.300 0.028 0.000 1.190 391 R HN 0.466 nan 8.270 nan 0.000 0.437 392 I N -2.200 118.231 120.570 -0.232 0.000 3.334 392 I HA -0.103 4.067 4.170 -0.000 0.000 0.282 392 I C 1.960 177.874 176.117 -0.339 0.000 1.313 392 I CA 0.462 61.526 61.300 -0.394 0.000 1.396 392 I CB -0.953 36.566 38.000 -0.801 0.000 1.054 392 I HN 0.336 nan 8.210 nan 0.000 0.495 393 Y N -0.332 119.853 120.300 -0.191 0.000 2.315 393 Y HA -0.199 4.351 4.550 -0.000 0.000 0.288 393 Y C 2.343 178.165 175.900 -0.131 0.000 1.154 393 Y CA 1.345 59.343 58.100 -0.169 0.000 1.229 393 Y CB -1.580 36.766 38.460 -0.190 0.000 0.980 393 Y HN 0.203 nan 8.280 nan 0.000 0.540 394 H N 0.554 119.201 119.070 -0.705 0.000 2.387 394 H HA -0.172 4.383 4.556 -0.000 0.000 0.299 394 H C 2.292 177.526 175.328 -0.157 0.000 1.099 394 H CA 1.982 57.762 56.048 -0.447 0.000 1.315 394 H CB -0.255 29.207 29.762 -0.500 0.000 1.380 394 H HN 0.515 nan 8.280 nan 0.000 0.513 395 I N 0.975 121.521 120.570 -0.040 0.000 2.546 395 I HA -0.181 3.989 4.170 -0.000 0.000 0.255 395 I C 1.053 177.254 176.117 0.140 0.000 1.163 395 I CA 0.935 62.261 61.300 0.043 0.000 1.457 395 I CB 0.048 37.976 38.000 -0.120 0.000 1.092 395 I HN 0.056 nan 8.210 nan 0.000 0.434 396 D N 0.546 120.990 120.400 0.072 0.000 2.378 396 D HA -0.072 4.568 4.640 -0.000 0.000 0.227 396 D C 1.970 178.332 176.300 0.104 0.000 1.012 396 D CA 0.420 54.483 54.000 0.105 0.000 0.905 396 D CB -0.041 40.808 40.800 0.082 0.000 0.895 396 D HN 0.384 nan 8.370 nan 0.000 0.532 397 R N -0.177 120.385 120.500 0.104 0.000 2.127 397 R HA 0.051 4.391 4.340 -0.000 0.000 0.217 397 R C 1.759 178.084 176.300 0.042 0.000 1.074 397 R CA 0.942 57.089 56.100 0.078 0.000 0.991 397 R CB 0.268 30.618 30.300 0.085 0.000 0.895 397 R HN 0.103 nan 8.270 nan 0.000 0.450 398 G N -1.420 107.402 108.800 0.037 0.000 3.342 398 G HA2 0.106 4.066 3.960 -0.000 0.000 0.252 398 G HA3 0.106 4.066 3.960 -0.000 0.000 0.252 398 G C -0.488 174.195 174.900 -0.363 0.000 1.011 398 G CA -0.165 44.843 45.100 -0.152 0.000 0.869 398 G HN 0.048 nan 8.290 nan 0.000 0.514 399 Y N 0.487 120.820 120.300 0.054 0.000 2.361 399 Y HA 0.450 5.000 4.550 -0.001 0.000 0.337 399 Y C -0.121 175.838 175.900 0.099 0.000 0.965 399 Y CA -1.230 56.921 58.100 0.085 0.000 1.091 399 Y CB 1.915 40.422 38.460 0.079 0.000 1.182 399 Y HN -0.001 nan 8.280 nan 0.000 0.450 400 E N 5.192 125.526 120.200 0.224 0.000 2.129 400 E HA 0.199 4.549 4.350 -0.000 0.000 0.283 400 E C -0.222 176.495 176.600 0.195 0.000 1.080 400 E CA -0.530 55.969 56.400 0.165 0.000 0.867 400 E CB 0.296 30.061 29.700 0.109 0.000 1.056 400 E HN 0.732 nan 8.360 nan 0.000 0.404 401 R N 3.478 124.086 120.500 0.180 0.000 3.092 401 R HA -0.231 4.109 4.340 -0.000 0.000 0.245 401 R C 0.382 176.808 176.300 0.210 0.000 0.881 401 R CA 0.584 56.788 56.100 0.173 0.000 0.614 401 R CB -2.372 27.999 30.300 0.118 0.000 1.128 401 R HN 0.755 nan 8.270 nan 0.000 0.483 402 I N 1.048 121.779 120.570 0.269 0.000 2.394 402 I HA -0.293 3.877 4.170 -0.000 0.000 0.251 402 I C 2.520 178.752 176.117 0.193 0.000 1.136 402 I CA 2.002 63.470 61.300 0.280 0.000 1.425 402 I CB -0.029 38.082 38.000 0.185 0.000 1.079 402 I HN 0.671 nan 8.210 nan 0.000 0.425 403 E N 0.084 120.364 120.200 0.133 0.000 2.110 403 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 403 E C 1.396 177.979 176.600 -0.028 0.000 0.988 403 E CA 1.496 57.847 56.400 -0.082 0.000 0.804 403 E CB -0.412 29.120 29.700 -0.278 0.000 0.745 403 E HN 0.451 nan 8.360 nan 0.000 0.458 404 D N 1.572 121.991 120.400 0.031 0.000 2.097 404 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 404 D C 1.842 178.160 176.300 0.030 0.000 0.984 404 D CA 1.252 55.265 54.000 0.022 0.000 0.826 404 D CB -0.115 40.706 40.800 0.035 0.000 0.973 404 D HN 0.220 nan 8.370 nan 0.000 0.460 405 K N 0.172 120.616 120.400 0.073 0.000 2.097 405 K HA -0.035 4.284 4.320 -0.000 0.000 0.206 405 K C 2.293 178.950 176.600 0.096 0.000 1.049 405 K CA 0.525 56.840 56.287 0.046 0.000 0.933 405 K CB -0.102 32.428 32.500 0.048 0.000 0.717 405 K HN 0.151 nan 8.250 nan 0.000 0.442 406 L N 0.443 121.766 121.223 0.166 0.000 2.093 406 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 406 L C 2.721 179.614 176.870 0.038 0.000 1.085 406 L CA 0.973 55.895 54.840 0.136 0.000 0.755 406 L CB -0.281 41.823 42.059 0.075 0.000 0.904 406 L HN 0.165 nan 8.230 nan 0.000 0.435 407 R N 0.379 120.879 120.500 -0.001 0.000 2.081 407 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 407 R C 2.155 178.447 176.300 -0.013 0.000 1.131 407 R CA 1.382 57.468 56.100 -0.024 0.000 0.960 407 R CB -0.214 30.062 30.300 -0.040 0.000 0.856 407 R HN 0.329 nan 8.270 nan 0.000 0.436 408 A N 0.270 123.084 122.820 -0.009 0.000 2.216 408 A HA -0.022 4.297 4.320 -0.000 0.000 0.214 408 A C 1.702 179.276 177.584 -0.017 0.000 1.160 408 A CA 0.766 52.792 52.037 -0.019 0.000 0.725 408 A CB -0.145 18.837 19.000 -0.031 0.000 0.784 408 A HN 0.347 nan 8.150 nan 0.000 0.472 409 L N -2.005 119.218 121.223 0.000 0.000 2.640 409 L HA 0.288 4.627 4.340 -0.000 0.000 0.230 409 L C 1.498 178.371 176.870 0.005 0.000 1.123 409 L CA 0.563 55.408 54.840 0.009 0.000 0.900 409 L CB 0.266 42.354 42.059 0.048 0.000 1.146 409 L HN 0.519 nan 8.230 nan 0.000 0.484 410 G N 0.095 108.892 108.800 -0.004 0.000 2.163 410 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.213 410 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.213 410 G C 0.336 175.228 174.900 -0.013 0.000 0.991 410 G CA -0.132 44.962 45.100 -0.009 0.000 0.653 410 G HN 0.399 nan 8.290 nan 0.000 0.518 411 A N 0.050 122.861 122.820 -0.014 0.000 2.407 411 A HA 0.598 4.917 4.320 -0.000 0.000 0.248 411 A C 0.485 178.042 177.584 -0.045 0.000 1.082 411 A CA 0.147 52.167 52.037 -0.028 0.000 0.785 411 A CB 0.416 19.397 19.000 -0.031 0.000 1.020 411 A HN 0.527 nan 8.150 nan 0.000 0.489 412 N N 1.872 120.544 118.700 -0.048 0.000 2.589 412 N HA 0.410 5.150 4.740 -0.000 0.000 0.232 412 N C -1.333 174.129 175.510 -0.080 0.000 1.015 412 N CA -0.007 53.011 53.050 -0.053 0.000 0.931 412 N CB 0.335 38.799 38.487 -0.038 0.000 1.150 412 N HN 0.656 nan 8.380 nan 0.000 0.512 413 I N 1.216 121.715 120.570 -0.118 0.000 2.769 413 I HA 0.434 4.603 4.170 -0.000 0.000 0.298 413 I C -1.342 174.645 176.117 -0.217 0.000 1.128 413 I CA -0.656 60.526 61.300 -0.198 0.000 1.031 413 I CB 2.235 40.053 38.000 -0.304 0.000 1.235 413 I HN 0.431 nan 8.210 nan 0.000 0.423 414 E N 6.764 126.823 120.200 -0.235 0.000 2.321 414 E HA 0.356 4.706 4.350 -0.000 0.000 0.278 414 E C -1.641 174.891 176.600 -0.114 0.000 0.902 414 E CA -0.927 55.379 56.400 -0.157 0.000 0.758 414 E CB 1.982 31.644 29.700 -0.062 0.000 1.213 414 E HN 0.623 nan 8.360 nan 0.000 0.426 415 R N 3.601 124.090 120.500 -0.019 0.000 2.221 415 R HA 0.415 4.754 4.340 -0.000 0.000 0.327 415 R C -0.472 175.915 176.300 0.145 0.000 1.033 415 R CA -0.387 55.846 56.100 0.223 0.000 0.887 415 R CB 0.921 31.410 30.300 0.316 0.000 1.057 415 R HN 0.402 nan 8.270 nan 0.000 0.455 416 V N 1.277 121.284 119.914 0.154 0.000 3.113 416 V HA 0.582 4.702 4.120 -0.000 0.000 0.316 416 V C -0.201 175.943 176.094 0.084 0.000 1.125 416 V CA -0.914 61.442 62.300 0.093 0.000 1.026 416 V CB 2.189 34.055 31.823 0.072 0.000 1.080 416 V HN 0.670 nan 8.190 nan 0.000 0.444 417 K N 1.425 121.860 120.400 0.058 0.000 3.623 417 K HA 0.458 4.777 4.320 -0.000 0.000 0.187 417 K C 1.567 178.191 176.600 0.039 0.000 1.136 417 K CA 0.627 56.941 56.287 0.046 0.000 1.555 417 K CB -1.022 31.498 32.500 0.035 0.000 2.144 417 K HN 1.837 nan 8.250 nan 0.000 0.483 418 G N 3.097 111.915 108.800 0.030 0.000 2.212 418 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.267 418 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.267 418 G C 0.060 174.974 174.900 0.024 0.000 1.002 418 G CA 1.614 46.729 45.100 0.025 0.000 0.729 418 G HN 0.614 nan 8.290 nan 0.000 0.517 419 E N 0.000 120.214 120.200 0.023 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.412 56.400 0.020 0.000 0.976 419 E CB 0.000 29.707 29.700 0.012 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440