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 3cjt_1_I DATA FIRST_RESID 1 DATA SEQUENCE MWVYRLKGTL EALDPILPGL FDGGARGLWE REGEVWAFFP APVDLPYEGV DATA SEQUENCE WEEVGDEDWL EAWRRDLKPA LAPPFVVLAP WHTWEGAEIP LVIEPGMAFG DATA SEQUENCE TGHAETTRLA LKALARHLRP GDKVLDLGTG SGVLAIAAEK LGGKALGVDI DATA SEQUENCE DPMVLPQAEA NAKRNGVRPR FLEGSLEAAL PFGPFDLLVA NLYAELHAAL DATA SEQUENCE APRYREALVP GGRALLTGIL KDRAPLVREA MAGAGFRPLE EAAEGEWVLL DATA SEQUENCE AYGR 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 0.000 176.407 176.300 0.178 0.000 1.140 1 M CA 0.000 55.476 55.300 0.293 0.000 0.988 1 M CB 0.000 32.822 32.600 0.369 0.000 1.302 2 W N 1.939 123.446 121.300 0.345 0.000 2.761 2 W HA 0.779 5.439 4.660 -0.000 0.000 0.340 2 W C -1.210 175.552 176.519 0.404 0.000 1.072 2 W CA -0.534 57.023 57.345 0.353 0.000 1.215 2 W CB 1.873 31.513 29.460 0.299 0.000 1.420 2 W HN 0.461 nan 8.180 nan 0.000 0.519 3 V N 3.834 123.988 119.914 0.401 0.000 2.604 3 V HA 0.490 4.610 4.120 -0.000 0.000 0.305 3 V C -1.942 174.070 176.094 -0.137 0.000 1.043 3 V CA -0.981 61.286 62.300 -0.055 0.000 0.888 3 V CB 1.596 33.043 31.823 -0.627 0.000 0.995 3 V HN 0.397 nan 8.190 nan 0.000 0.429 4 Y N 6.680 126.652 120.300 -0.546 0.000 2.369 4 Y HA 0.624 5.173 4.550 -0.000 0.000 0.337 4 Y C 0.327 175.846 175.900 -0.635 0.000 0.961 4 Y CA -0.683 56.851 58.100 -0.943 0.000 1.186 4 Y CB 0.932 38.653 38.460 -1.233 0.000 1.139 4 Y HN 0.612 nan 8.280 nan 0.000 0.494 5 R N 6.542 126.509 120.500 -0.888 0.000 2.255 5 R HA 0.561 4.901 4.340 -0.000 0.000 0.326 5 R C -1.445 174.473 176.300 -0.637 0.000 0.986 5 R CA -0.609 55.025 56.100 -0.777 0.000 0.847 5 R CB 0.991 30.780 30.300 -0.851 0.000 1.111 5 R HN 0.620 nan 8.270 nan 0.000 0.452 6 L N 3.073 124.053 121.223 -0.406 0.000 2.341 6 L HA 0.421 4.760 4.340 -0.000 0.000 0.278 6 L C -0.210 176.567 176.870 -0.156 0.000 1.005 6 L CA -1.106 53.556 54.840 -0.296 0.000 0.818 6 L CB 1.644 43.572 42.059 -0.219 0.000 1.259 6 L HN 0.243 nan 8.230 nan 0.000 0.418 7 K N 2.126 122.446 120.400 -0.134 0.000 2.451 7 K HA 0.560 4.880 4.320 -0.000 0.000 0.280 7 K C 0.303 176.871 176.600 -0.053 0.000 1.020 7 K CA 0.906 57.148 56.287 -0.076 0.000 1.008 7 K CB 0.518 32.977 32.500 -0.068 0.000 0.917 7 K HN 0.809 nan 8.250 nan 0.000 0.478 8 G N 0.933 109.712 108.800 -0.034 0.000 2.381 8 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.672 8 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.672 8 G C -0.535 174.357 174.900 -0.014 0.000 1.324 8 G CA -0.549 44.538 45.100 -0.023 0.000 0.975 8 G HN 0.728 nan 8.290 nan 0.000 0.593 9 T N -1.171 113.379 114.554 -0.007 0.000 2.881 9 T HA 0.632 4.981 4.350 -0.000 0.000 0.278 9 T C 1.925 176.631 174.700 0.011 0.000 0.982 9 T CA -0.092 62.009 62.100 0.003 0.000 0.989 9 T CB 1.334 70.204 68.868 0.004 0.000 1.058 9 T HN 0.776 nan 8.240 nan 0.000 0.529 10 L N -0.030 121.209 121.223 0.027 0.000 2.079 10 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 10 L C 3.080 179.965 176.870 0.024 0.000 1.081 10 L CA 1.566 56.428 54.840 0.036 0.000 0.752 10 L CB -0.542 41.552 42.059 0.058 0.000 0.896 10 L HN 0.851 nan 8.230 nan 0.000 0.433 11 E N 0.201 120.412 120.200 0.018 0.000 2.028 11 E HA -0.238 4.112 4.350 -0.000 0.000 0.191 11 E C 2.265 178.870 176.600 0.007 0.000 0.988 11 E CA 1.190 57.598 56.400 0.012 0.000 0.799 11 E CB -0.029 29.677 29.700 0.010 0.000 0.755 11 E HN 0.462 nan 8.360 nan 0.000 0.447 12 A N 0.883 123.705 122.820 0.004 0.000 1.978 12 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 12 A C 2.044 179.626 177.584 -0.003 0.000 1.170 12 A CA 1.067 53.104 52.037 -0.000 0.000 0.636 12 A CB -0.417 18.581 19.000 -0.003 0.000 0.810 12 A HN 0.273 nan 8.150 nan 0.000 0.448 13 L N -0.980 120.239 121.223 -0.006 0.000 2.592 13 L HA 0.003 4.343 4.340 -0.000 0.000 0.227 13 L C 1.692 178.549 176.870 -0.023 0.000 1.127 13 L CA 0.543 55.370 54.840 -0.021 0.000 0.884 13 L CB -0.360 41.680 42.059 -0.031 0.000 1.065 13 L HN 0.406 nan 8.230 nan 0.000 0.457 14 D N 1.550 121.948 120.400 -0.003 0.000 2.248 14 D HA -0.238 4.402 4.640 -0.000 0.000 0.189 14 D C -0.704 175.595 176.300 -0.002 0.000 1.011 14 D CA 2.058 56.060 54.000 0.004 0.000 0.868 14 D CB -0.408 40.397 40.800 0.008 0.000 0.931 14 D HN 0.181 nan 8.370 nan 0.000 0.449 15 P HA -0.031 nan 4.420 nan 0.000 0.222 15 P C 1.518 178.808 177.300 -0.018 0.000 1.147 15 P CA 1.050 64.153 63.100 0.005 0.000 0.790 15 P CB -0.314 31.398 31.700 0.020 0.000 0.780 16 I N -5.350 115.160 120.570 -0.100 0.000 3.860 16 I HA 0.059 4.229 4.170 -0.000 0.000 0.319 16 I C 1.616 177.576 176.117 -0.260 0.000 1.279 16 I CA 0.315 61.428 61.300 -0.312 0.000 1.220 16 I CB -0.557 37.039 38.000 -0.673 0.000 1.027 16 I HN -0.204 nan 8.210 nan 0.000 0.428 17 L N 1.372 122.551 121.223 -0.074 0.000 2.017 17 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 17 L C -0.078 176.907 176.870 0.191 0.000 1.073 17 L CA 1.411 56.283 54.840 0.053 0.000 0.745 17 L CB -2.351 39.777 42.059 0.115 0.000 0.894 17 L HN 0.225 nan 8.230 nan 0.000 0.432 18 P HA -0.151 nan 4.420 nan 0.000 0.216 18 P C 1.616 179.040 177.300 0.207 0.000 1.150 18 P CA 1.781 64.986 63.100 0.174 0.000 0.837 18 P CB -0.212 31.540 31.700 0.085 0.000 0.786 19 G N -0.463 108.432 108.800 0.159 0.000 2.432 19 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 19 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 19 G C 1.466 176.533 174.900 0.277 0.000 1.135 19 G CA 0.404 45.652 45.100 0.246 0.000 0.767 19 G HN 0.228 nan 8.290 nan 0.000 0.550 20 L N -0.873 120.447 121.223 0.161 0.000 2.017 20 L HA -0.028 4.311 4.340 -0.000 0.000 0.208 20 L C 2.688 179.557 176.870 -0.001 0.000 1.073 20 L CA 1.031 55.952 54.840 0.135 0.000 0.745 20 L CB -0.491 41.544 42.059 -0.040 0.000 0.894 20 L HN 0.152 nan 8.230 nan 0.000 0.432 21 F N 0.324 120.286 119.950 0.019 0.000 2.113 21 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 21 F C 2.404 178.227 175.800 0.037 0.000 1.103 21 F CA 1.287 59.276 58.000 -0.018 0.000 1.248 21 F CB -0.462 38.529 39.000 -0.015 0.000 0.999 21 F HN 0.096 nan 8.300 nan 0.000 0.475 22 D N -0.167 120.386 120.400 0.256 0.000 2.221 22 D HA -0.132 4.508 4.640 -0.000 0.000 0.204 22 D C 2.397 178.806 176.300 0.181 0.000 0.982 22 D CA 1.357 55.467 54.000 0.183 0.000 0.857 22 D CB -0.763 40.131 40.800 0.158 0.000 0.934 22 D HN 0.359 nan 8.370 nan 0.000 0.475 23 G N -0.731 108.212 108.800 0.238 0.000 2.650 23 G HA2 0.174 4.133 3.960 -0.000 0.000 0.214 23 G HA3 0.174 4.133 3.960 -0.000 0.000 0.214 23 G C 1.204 176.328 174.900 0.374 0.000 1.136 23 G CA 0.714 45.997 45.100 0.305 0.000 0.789 23 G HN 0.475 nan 8.290 nan 0.000 0.536 24 G N -1.579 107.356 108.800 0.225 0.000 2.192 24 G HA2 0.186 4.146 3.960 -0.000 0.000 0.193 24 G HA3 0.186 4.146 3.960 -0.000 0.000 0.193 24 G C 0.484 175.271 174.900 -0.188 0.000 0.999 24 G CA 0.125 45.310 45.100 0.142 0.000 0.659 24 G HN 1.251 nan 8.290 nan 0.000 0.503 25 A N 0.287 122.637 122.820 -0.784 0.000 2.540 25 A HA 0.597 4.917 4.320 -0.000 0.000 0.239 25 A C 1.470 178.718 177.584 -0.559 0.000 1.061 25 A CA 0.645 51.928 52.037 -1.256 0.000 0.758 25 A CB 0.303 18.419 19.000 -1.472 0.000 0.991 25 A HN 0.246 nan 8.150 nan 0.000 0.502 26 R N 1.095 121.404 120.500 -0.318 0.000 2.265 26 R HA 0.239 4.579 4.340 -0.000 0.000 0.194 26 R C 0.794 177.108 176.300 0.023 0.000 0.931 26 R CA 0.864 56.935 56.100 -0.049 0.000 1.032 26 R CB 0.020 30.337 30.300 0.028 0.000 0.980 26 R HN 1.044 nan 8.270 nan 0.000 0.497 27 G N -0.137 108.606 108.800 -0.096 0.000 2.368 27 G HA2 0.418 4.378 3.960 -0.000 0.000 0.293 27 G HA3 0.418 4.378 3.960 -0.000 0.000 0.293 27 G C -2.194 172.743 174.900 0.061 0.000 1.467 27 G CA -0.686 44.445 45.100 0.051 0.000 0.804 27 G HN -0.062 nan 8.290 nan 0.000 0.535 28 L N -0.068 121.262 121.223 0.178 0.000 2.381 28 L HA 0.890 5.230 4.340 -0.000 0.000 0.268 28 L C -1.363 175.723 176.870 0.359 0.000 0.997 28 L CA -0.935 54.045 54.840 0.234 0.000 0.818 28 L CB 2.027 44.189 42.059 0.173 0.000 1.310 28 L HN 0.709 nan 8.230 nan 0.000 0.416 29 W N 3.748 125.161 121.300 0.189 0.000 2.884 29 W HA 0.394 5.054 4.660 -0.000 0.000 0.336 29 W C -0.555 176.013 176.519 0.082 0.000 1.038 29 W CA -1.102 56.321 57.345 0.129 0.000 1.247 29 W CB 1.197 30.776 29.460 0.198 0.000 1.351 29 W HN 0.651 nan 8.180 nan 0.000 0.446 30 E N 5.944 126.324 120.200 0.300 0.000 2.223 30 E HA 0.335 4.684 4.350 -0.000 0.000 0.282 30 E C 0.186 176.688 176.600 -0.164 0.000 1.046 30 E CA 0.107 56.540 56.400 0.056 0.000 0.857 30 E CB 0.788 30.539 29.700 0.084 0.000 1.055 30 E HN 0.527 nan 8.360 nan 0.000 0.409 31 R N 2.738 123.034 120.500 -0.341 0.000 3.173 31 R HA 0.291 4.631 4.340 -0.000 0.000 0.225 31 R C -0.389 175.775 176.300 -0.228 0.000 1.587 31 R CA -0.962 54.849 56.100 -0.481 0.000 1.033 31 R CB 0.341 30.059 30.300 -0.969 0.000 1.804 31 R HN 0.472 nan 8.270 nan 0.000 0.526 32 E N 1.641 121.715 120.200 -0.211 0.000 1.795 32 E HA 0.075 4.425 4.350 -0.000 0.000 0.261 32 E C 0.308 176.867 176.600 -0.068 0.000 1.238 32 E CA 0.464 56.799 56.400 -0.108 0.000 1.001 32 E CB 0.292 29.936 29.700 -0.092 0.000 1.065 32 E HN 0.887 nan 8.360 nan 0.000 0.418 33 G N 3.487 112.257 108.800 -0.051 0.000 2.162 33 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 33 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 33 G C 0.164 175.050 174.900 -0.023 0.000 0.976 33 G CA 0.276 45.357 45.100 -0.031 0.000 0.655 33 G HN 0.487 nan 8.290 nan 0.000 0.533 34 E N -1.265 118.923 120.200 -0.020 0.000 2.369 34 E HA 0.613 4.963 4.350 -0.000 0.000 0.270 34 E C -0.934 175.693 176.600 0.046 0.000 0.909 34 E CA -1.010 55.406 56.400 0.027 0.000 0.775 34 E CB 2.865 32.645 29.700 0.133 0.000 1.270 34 E HN 0.089 nan 8.360 nan 0.000 0.445 35 V N 1.793 121.746 119.914 0.064 0.000 2.417 35 V HA 0.271 4.391 4.120 -0.000 0.000 0.291 35 V C -1.248 174.945 176.094 0.164 0.000 1.024 35 V CA -0.676 61.684 62.300 0.098 0.000 0.861 35 V CB 0.727 32.577 31.823 0.044 0.000 0.985 35 V HN 0.575 nan 8.190 nan 0.000 0.436 36 W N 3.661 124.872 121.300 -0.147 0.000 2.314 36 W HA 0.725 5.385 4.660 -0.000 0.000 0.310 36 W C 0.210 176.625 176.519 -0.174 0.000 1.075 36 W CA -0.790 56.411 57.345 -0.240 0.000 1.253 36 W CB 1.469 30.760 29.460 -0.283 0.000 1.238 36 W HN 0.611 nan 8.180 nan 0.000 0.440 37 A N 4.707 127.479 122.820 -0.080 0.000 2.271 37 A HA 0.766 5.086 4.320 -0.000 0.000 0.317 37 A C -1.429 176.151 177.584 -0.006 0.000 1.245 37 A CA -0.526 51.514 52.037 0.006 0.000 0.857 37 A CB 0.150 19.230 19.000 0.133 0.000 1.175 37 A HN 0.411 nan 8.150 nan 0.000 0.512 38 F N 1.951 121.951 119.950 0.083 0.000 2.415 38 F HA 0.665 5.192 4.527 -0.000 0.000 0.348 38 F C -0.445 175.398 175.800 0.072 0.000 1.119 38 F CA -0.065 58.066 58.000 0.219 0.000 1.069 38 F CB 1.363 40.475 39.000 0.186 0.000 1.124 38 F HN 0.456 nan 8.300 nan 0.000 0.472 39 F N 3.538 123.745 119.950 0.427 0.000 2.576 39 F HA 0.413 4.940 4.527 -0.000 0.000 0.313 39 F C -1.619 174.392 175.800 0.352 0.000 1.078 39 F CA -2.165 56.040 58.000 0.342 0.000 0.921 39 F CB 1.559 40.791 39.000 0.388 0.000 1.232 39 F HN 0.194 nan 8.300 nan 0.000 0.459 40 P HA -0.038 nan 4.420 nan 0.000 0.216 40 P C -0.178 177.319 177.300 0.328 0.000 1.150 40 P CA 1.271 64.567 63.100 0.326 0.000 0.837 40 P CB 0.513 32.337 31.700 0.207 0.000 0.786 41 A N -0.856 122.067 122.820 0.172 0.000 2.572 41 A HA 0.667 4.987 4.320 -0.000 0.000 0.295 41 A C -2.919 174.280 177.584 -0.643 0.000 1.072 41 A CA -1.785 50.124 52.037 -0.213 0.000 0.691 41 A CB 0.998 19.882 19.000 -0.194 0.000 1.291 41 A HN -0.146 nan 8.150 nan 0.000 0.404 42 P HA 0.446 nan 4.420 nan 0.000 0.275 42 P C -0.447 176.077 177.300 -1.294 0.000 1.228 42 P CA -0.003 61.867 63.100 -2.050 0.000 0.786 42 P CB 1.189 31.463 31.700 -2.377 0.000 0.927 43 V N -1.527 117.652 119.914 -1.224 0.000 3.007 43 V HA 0.490 4.610 4.120 -0.000 0.000 0.311 43 V C -0.730 175.149 176.094 -0.359 0.000 1.120 43 V CA -1.044 60.918 62.300 -0.564 0.000 0.980 43 V CB 2.174 33.819 31.823 -0.296 0.000 1.033 43 V HN 0.262 nan 8.190 nan 0.000 0.429 44 D N 3.421 123.680 120.400 -0.235 0.000 2.358 44 D HA 0.520 5.160 4.640 -0.000 0.000 0.258 44 D C -0.433 175.794 176.300 -0.122 0.000 1.223 44 D CA 0.602 54.522 54.000 -0.134 0.000 0.886 44 D CB 1.329 42.055 40.800 -0.123 0.000 1.120 44 D HN 0.531 nan 8.370 nan 0.000 0.482 45 L N 3.836 124.986 121.223 -0.121 0.000 2.354 45 L HA 0.328 4.668 4.340 -0.000 0.000 0.269 45 L C -1.475 175.243 176.870 -0.252 0.000 1.005 45 L CA -1.607 53.092 54.840 -0.235 0.000 0.819 45 L CB 2.614 44.448 42.059 -0.375 0.000 1.311 45 L HN 0.193 nan 8.230 nan 0.000 0.423 46 P HA 0.053 nan 4.420 nan 0.000 0.257 46 P C 0.459 177.555 177.300 -0.339 0.000 1.281 46 P CA 0.487 63.345 63.100 -0.403 0.000 0.826 46 P CB 0.076 31.516 31.700 -0.433 0.000 1.237 47 Y N 0.758 121.133 120.300 0.126 0.000 2.466 47 Y HA 0.126 4.676 4.550 -0.000 0.000 0.272 47 Y C 0.623 176.580 175.900 0.095 0.000 1.169 47 Y CA -0.292 57.891 58.100 0.138 0.000 1.285 47 Y CB -0.343 38.236 38.460 0.200 0.000 1.078 47 Y HN -0.024 nan 8.280 nan 0.000 0.523 48 E N -0.113 120.206 120.200 0.199 0.000 2.416 48 E HA -0.181 4.169 4.350 -0.000 0.000 0.249 48 E C 0.785 177.319 176.600 -0.109 0.000 1.124 48 E CA 0.144 56.580 56.400 0.060 0.000 0.732 48 E CB -1.546 28.170 29.700 0.027 0.000 1.286 48 E HN 0.597 nan 8.360 nan 0.000 0.394 49 G N -0.455 108.127 108.800 -0.363 0.000 2.510 49 G HA2 0.605 4.565 3.960 -0.000 0.000 0.280 49 G HA3 0.605 4.565 3.960 -0.000 0.000 0.280 49 G C -0.231 174.201 174.900 -0.781 0.000 1.386 49 G CA -0.319 44.180 45.100 -1.003 0.000 1.047 49 G HN 0.116 nan 8.290 nan 0.000 0.527 50 V N -0.783 118.619 119.914 -0.854 0.000 2.656 50 V HA 0.390 4.510 4.120 -0.000 0.000 0.307 50 V C -1.211 174.644 176.094 -0.398 0.000 1.051 50 V CA -0.661 61.389 62.300 -0.416 0.000 0.893 50 V CB 1.878 33.544 31.823 -0.263 0.000 0.999 50 V HN 0.702 nan 8.190 nan 0.000 0.426 51 W N 2.168 123.500 121.300 0.053 0.000 2.315 51 W HA 0.643 5.303 4.660 -0.000 0.000 0.316 51 W C 0.372 176.999 176.519 0.180 0.000 1.211 51 W CA 0.041 57.503 57.345 0.195 0.000 1.201 51 W CB 0.932 30.528 29.460 0.227 0.000 1.184 51 W HN 0.551 nan 8.180 nan 0.000 0.544 52 E N 2.292 122.759 120.200 0.445 0.000 2.311 52 E HA 0.079 4.429 4.350 -0.000 0.000 0.281 52 E C -1.454 174.978 176.600 -0.280 0.000 0.905 52 E CA -0.697 55.724 56.400 0.035 0.000 0.778 52 E CB 1.539 31.143 29.700 -0.160 0.000 1.240 52 E HN 0.498 nan 8.360 nan 0.000 0.410 53 E N 3.096 122.784 120.200 -0.855 0.000 2.259 53 E HA 0.268 4.618 4.350 -0.000 0.000 0.281 53 E C -0.429 175.907 176.600 -0.439 0.000 1.037 53 E CA -0.564 55.111 56.400 -1.208 0.000 0.854 53 E CB 1.017 29.902 29.700 -1.358 0.000 1.051 53 E HN 0.334 nan 8.360 nan 0.000 0.409 54 V N 1.504 121.285 119.914 -0.222 0.000 2.881 54 V HA 0.765 4.884 4.120 -0.000 0.000 0.316 54 V C 0.553 176.675 176.094 0.048 0.000 1.070 54 V CA -0.698 61.622 62.300 0.034 0.000 0.976 54 V CB 1.581 33.574 31.823 0.284 0.000 1.038 54 V HN 0.681 nan 8.190 nan 0.000 0.446 55 G N 0.921 109.778 108.800 0.094 0.000 2.467 55 G HA2 0.324 4.284 3.960 -0.000 0.000 0.257 55 G HA3 0.324 4.284 3.960 -0.000 0.000 0.257 55 G C -0.461 174.510 174.900 0.118 0.000 1.227 55 G CA -0.313 44.828 45.100 0.068 0.000 0.835 55 G HN 0.826 nan 8.290 nan 0.000 0.556 56 D N 0.502 120.944 120.400 0.070 0.000 2.302 56 D HA 0.294 4.934 4.640 -0.000 0.000 0.248 56 D C -0.014 176.241 176.300 -0.075 0.000 1.094 56 D CA 0.465 54.507 54.000 0.069 0.000 0.897 56 D CB 1.543 42.385 40.800 0.070 0.000 1.200 56 D HN 0.281 nan 8.370 nan 0.000 0.429 57 E N 0.888 120.962 120.200 -0.210 0.000 2.367 57 E HA 0.100 4.450 4.350 -0.000 0.000 0.273 57 E C -1.374 174.929 176.600 -0.496 0.000 0.903 57 E CA -0.677 55.385 56.400 -0.564 0.000 0.764 57 E CB 2.321 31.220 29.700 -1.334 0.000 1.252 57 E HN 0.274 nan 8.360 nan 0.000 0.446 58 D N 2.006 122.186 120.400 -0.366 0.000 2.453 58 D HA 0.073 4.713 4.640 -0.000 0.000 0.223 58 D C 0.381 176.540 176.300 -0.234 0.000 1.183 58 D CA -0.147 53.734 54.000 -0.198 0.000 0.933 58 D CB -0.063 40.676 40.800 -0.102 0.000 1.038 58 D HN 0.399 nan 8.370 nan 0.000 0.513 59 W N 3.010 124.305 121.300 -0.009 0.000 2.363 59 W HA -0.084 4.576 4.660 -0.000 0.000 0.296 59 W C 2.252 178.788 176.519 0.027 0.000 1.212 59 W CA 0.050 57.392 57.345 -0.006 0.000 1.260 59 W CB -0.165 29.259 29.460 -0.061 0.000 1.131 59 W HN 0.387 nan 8.180 nan 0.000 0.530 60 L N 0.109 121.446 121.223 0.189 0.000 2.042 60 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 60 L C 2.537 179.488 176.870 0.134 0.000 1.076 60 L CA 1.632 56.550 54.840 0.130 0.000 0.749 60 L CB -0.702 41.375 42.059 0.029 0.000 0.893 60 L HN 0.109 nan 8.230 nan 0.000 0.432 61 E N -0.091 120.140 120.200 0.051 0.000 2.072 61 E HA -0.199 4.151 4.350 -0.000 0.000 0.190 61 E C 2.185 178.801 176.600 0.026 0.000 0.982 61 E CA 0.995 57.402 56.400 0.013 0.000 0.803 61 E CB 0.084 29.767 29.700 -0.029 0.000 0.755 61 E HN 0.458 nan 8.360 nan 0.000 0.453 62 A N 0.597 123.431 122.820 0.023 0.000 1.940 62 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 62 A C 1.831 179.493 177.584 0.130 0.000 1.176 62 A CA 1.444 53.504 52.037 0.038 0.000 0.631 62 A CB -1.044 17.948 19.000 -0.014 0.000 0.814 62 A HN 0.618 nan 8.150 nan 0.000 0.446 63 W N 0.506 121.825 121.300 0.032 0.000 2.407 63 W HA -0.085 4.574 4.660 -0.000 0.000 0.305 63 W C 2.407 178.951 176.519 0.042 0.000 1.196 63 W CA 1.681 59.050 57.345 0.039 0.000 1.311 63 W CB -0.186 29.287 29.460 0.021 0.000 1.135 63 W HN 0.175 nan 8.180 nan 0.000 0.514 64 R N 0.124 120.605 120.500 -0.032 0.000 2.096 64 R HA -0.218 4.122 4.340 -0.000 0.000 0.240 64 R C 2.369 178.620 176.300 -0.082 0.000 1.139 64 R CA 1.957 57.947 56.100 -0.185 0.000 0.952 64 R CB -0.873 29.347 30.300 -0.133 0.000 0.854 64 R HN 0.244 nan 8.270 nan 0.000 0.436 65 R N 0.662 121.142 120.500 -0.033 0.000 2.103 65 R HA -0.156 4.183 4.340 -0.000 0.000 0.242 65 R C 0.915 177.205 176.300 -0.017 0.000 1.142 65 R CA 1.982 58.080 56.100 -0.004 0.000 0.960 65 R CB -0.033 30.266 30.300 -0.002 0.000 0.858 65 R HN 0.187 nan 8.270 nan 0.000 0.439 66 D N -0.117 120.247 120.400 -0.060 0.000 2.350 66 D HA -0.003 4.637 4.640 -0.000 0.000 0.213 66 D C 0.072 176.307 176.300 -0.107 0.000 1.031 66 D CA 0.136 54.103 54.000 -0.055 0.000 0.861 66 D CB 0.226 41.014 40.800 -0.021 0.000 0.926 66 D HN 0.138 nan 8.370 nan 0.000 0.520 67 L N 1.844 122.942 121.223 -0.209 0.000 2.268 67 L HA 0.265 4.605 4.340 -0.000 0.000 0.289 67 L C -0.341 176.582 176.870 0.088 0.000 1.064 67 L CA 0.167 54.885 54.840 -0.202 0.000 0.824 67 L CB 0.210 41.919 42.059 -0.584 0.000 1.202 67 L HN -0.310 nan 8.230 nan 0.000 0.433 68 K N 5.597 126.051 120.400 0.091 0.000 2.208 68 K HA 0.543 4.863 4.320 -0.000 0.000 0.247 68 K C -2.401 174.150 176.600 -0.082 0.000 0.953 68 K CA -1.858 54.417 56.287 -0.020 0.000 0.837 68 K CB 1.463 33.958 32.500 -0.009 0.000 1.131 68 K HN 0.402 nan 8.250 nan 0.000 0.431 69 P HA -0.109 nan 4.420 nan 0.000 0.263 69 P C -1.344 175.775 177.300 -0.302 0.000 1.175 69 P CA 0.260 63.117 63.100 -0.404 0.000 0.761 69 P CB 0.453 31.860 31.700 -0.488 0.000 0.794 70 A N 4.177 126.763 122.820 -0.391 0.000 2.260 70 A HA 0.388 4.708 4.320 -0.000 0.000 0.312 70 A C -0.526 176.861 177.584 -0.330 0.000 1.321 70 A CA -0.478 51.304 52.037 -0.426 0.000 0.928 70 A CB -0.326 18.243 19.000 -0.719 0.000 1.158 70 A HN 0.524 nan 8.150 nan 0.000 0.542 71 L N 3.073 124.156 121.223 -0.233 0.000 2.290 71 L HA 0.608 4.947 4.340 -0.000 0.000 0.284 71 L C 0.399 177.209 176.870 -0.100 0.000 1.078 71 L CA 0.470 55.206 54.840 -0.173 0.000 0.815 71 L CB 1.229 43.242 42.059 -0.077 0.000 1.162 71 L HN 0.747 nan 8.230 nan 0.000 0.435 72 A N 6.507 129.293 122.820 -0.056 0.000 3.266 72 A HA 0.572 4.892 4.320 -0.000 0.000 0.310 72 A C -2.567 175.053 177.584 0.060 0.000 1.066 72 A CA -1.150 50.895 52.037 0.014 0.000 0.839 72 A CB -0.208 18.806 19.000 0.024 0.000 1.192 72 A HN 0.562 nan 8.150 nan 0.000 0.496 73 P HA -0.012 nan 4.420 nan 0.000 0.259 73 P C -1.887 175.353 177.300 -0.099 0.000 1.163 73 P CA -0.172 62.897 63.100 -0.052 0.000 0.760 73 P CB 0.539 32.218 31.700 -0.034 0.000 0.762 74 P HA 0.090 nan 4.420 nan 0.000 0.257 74 P C -0.455 176.570 177.300 -0.458 0.000 1.325 74 P CA 0.306 63.166 63.100 -0.399 0.000 0.850 74 P CB 0.192 31.579 31.700 -0.522 0.000 1.324 75 F N -0.446 119.459 119.950 -0.076 0.000 2.440 75 F HA 0.461 4.988 4.527 -0.000 0.000 0.328 75 F C 0.605 176.279 175.800 -0.210 0.000 1.070 75 F CA -1.240 56.685 58.000 -0.125 0.000 1.011 75 F CB 1.498 40.426 39.000 -0.121 0.000 1.226 75 F HN -0.361 nan 8.300 nan 0.000 0.491 76 V N 3.057 122.900 119.914 -0.117 0.000 2.588 76 V HA 0.579 4.699 4.120 -0.000 0.000 0.304 76 V C -1.174 174.720 176.094 -0.334 0.000 1.042 76 V CA -0.719 61.331 62.300 -0.416 0.000 0.877 76 V CB 1.951 33.139 31.823 -1.057 0.000 0.996 76 V HN 0.521 nan 8.190 nan 0.000 0.425 77 V N 8.128 127.848 119.914 -0.322 0.000 2.383 77 V HA 0.503 4.623 4.120 -0.000 0.000 0.275 77 V C -0.073 175.880 176.094 -0.234 0.000 1.036 77 V CA -0.360 61.788 62.300 -0.254 0.000 0.889 77 V CB 1.095 32.771 31.823 -0.245 0.000 0.985 77 V HN 0.678 nan 8.190 nan 0.000 0.459 78 L N 3.924 125.045 121.223 -0.170 0.000 2.362 78 L HA 0.830 5.170 4.340 -0.000 0.000 0.271 78 L C 0.442 177.209 176.870 -0.173 0.000 1.002 78 L CA -0.741 54.064 54.840 -0.058 0.000 0.818 78 L CB 1.908 43.914 42.059 -0.088 0.000 1.298 78 L HN 0.685 nan 8.230 nan 0.000 0.420 79 A N 2.818 125.397 122.820 -0.402 0.000 2.351 79 A HA 0.458 4.777 4.320 -0.000 0.000 0.257 79 A C -1.777 175.257 177.584 -0.917 0.000 1.087 79 A CA -1.191 50.230 52.037 -1.027 0.000 0.798 79 A CB 0.140 17.883 19.000 -2.096 0.000 1.033 79 A HN 0.631 nan 8.150 nan 0.000 0.488 80 P HA -0.185 nan 4.420 nan 0.000 0.217 80 P C 0.866 178.094 177.300 -0.120 0.000 1.148 80 P CA 2.150 65.099 63.100 -0.253 0.000 0.834 80 P CB -0.048 31.630 31.700 -0.037 0.000 0.783 81 W N -2.273 118.976 121.300 -0.085 0.000 3.139 81 W HA 0.169 4.828 4.660 -0.000 0.000 0.260 81 W C 0.494 177.023 176.519 0.016 0.000 1.312 81 W CA -0.317 57.004 57.345 -0.041 0.000 1.606 81 W CB -1.881 27.551 29.460 -0.046 0.000 1.118 81 W HN -0.014 nan 8.180 nan 0.000 0.675 82 H N 1.386 120.317 119.070 -0.231 0.000 2.790 82 H HA 0.262 4.817 4.556 -0.000 0.000 0.358 82 H C 0.744 176.099 175.328 0.044 0.000 1.103 82 H CA 0.694 56.697 56.048 -0.075 0.000 1.426 82 H CB 0.938 30.598 29.762 -0.169 0.000 1.424 82 H HN -0.073 nan 8.280 nan 0.000 0.599 83 T N 0.454 115.157 114.554 0.248 0.000 2.918 83 T HA 0.301 4.651 4.350 -0.000 0.000 0.286 83 T C -0.899 173.966 174.700 0.276 0.000 1.026 83 T CA -1.052 61.168 62.100 0.200 0.000 1.031 83 T CB 1.769 70.717 68.868 0.134 0.000 1.046 83 T HN 0.673 nan 8.240 nan 0.000 0.479 84 W N 1.918 123.218 121.300 -0.001 0.000 3.439 84 W HA 0.295 4.955 4.660 -0.000 0.000 0.323 84 W C -0.726 175.784 176.519 -0.014 0.000 1.174 84 W CA -0.710 56.621 57.345 -0.022 0.000 1.224 84 W CB 2.179 31.620 29.460 -0.031 0.000 1.348 84 W HN 0.853 nan 8.180 nan 0.000 0.498 85 E N 2.569 122.436 120.200 -0.555 0.000 2.473 85 E HA 0.145 4.495 4.350 -0.000 0.000 0.204 85 E C 1.302 177.647 176.600 -0.425 0.000 0.994 85 E CA -0.060 56.120 56.400 -0.367 0.000 0.945 85 E CB 0.625 30.160 29.700 -0.276 0.000 0.990 85 E HN 0.499 nan 8.360 nan 0.000 0.493 86 G N 0.951 109.241 108.800 -0.850 0.000 2.647 86 G HA2 0.222 4.181 3.960 -0.000 0.000 0.271 86 G HA3 0.222 4.181 3.960 -0.000 0.000 0.271 86 G C 0.728 175.665 174.900 0.061 0.000 1.300 86 G CA 0.254 45.151 45.100 -0.339 0.000 0.997 86 G HN 0.179 nan 8.290 nan 0.000 0.533 87 A N -1.000 121.890 122.820 0.116 0.000 2.308 87 A HA 0.366 4.686 4.320 -0.000 0.000 0.217 87 A C 0.885 178.542 177.584 0.122 0.000 1.216 87 A CA 0.122 52.218 52.037 0.098 0.000 0.864 87 A CB -0.089 18.931 19.000 0.033 0.000 0.902 87 A HN 0.573 nan 8.150 nan 0.000 0.499 88 E N -0.092 120.241 120.200 0.222 0.000 2.437 88 E HA 0.185 4.535 4.350 -0.000 0.000 0.263 88 E C -0.368 176.266 176.600 0.055 0.000 1.030 88 E CA 0.264 56.727 56.400 0.105 0.000 0.934 88 E CB 0.335 30.098 29.700 0.105 0.000 0.943 88 E HN 0.432 nan 8.360 nan 0.000 0.444 89 I N 5.888 126.438 120.570 -0.032 0.000 2.578 89 I HA 0.058 4.228 4.170 -0.000 0.000 0.286 89 I C -1.841 174.330 176.117 0.089 0.000 1.126 89 I CA -1.482 59.837 61.300 0.032 0.000 1.380 89 I CB 0.037 38.037 38.000 0.001 0.000 1.408 89 I HN 0.251 nan 8.210 nan 0.000 0.532 90 P HA 0.246 nan 4.420 nan 0.000 0.279 90 P C -0.935 176.364 177.300 -0.002 0.000 1.239 90 P CA -0.192 62.888 63.100 -0.033 0.000 0.789 90 P CB 1.065 32.759 31.700 -0.010 0.000 0.933 91 L N 3.213 124.394 121.223 -0.069 0.000 2.377 91 L HA 0.328 4.667 4.340 -0.000 0.000 0.270 91 L C -0.253 176.548 176.870 -0.114 0.000 0.991 91 L CA -1.089 53.696 54.840 -0.092 0.000 0.851 91 L CB 2.054 44.015 42.059 -0.163 0.000 1.218 91 L HN 0.060 nan 8.230 nan 0.000 0.420 92 V N 4.899 124.759 119.914 -0.089 0.000 2.408 92 V HA 0.364 4.484 4.120 -0.000 0.000 0.267 92 V C 0.190 176.220 176.094 -0.106 0.000 1.047 92 V CA -0.094 62.143 62.300 -0.105 0.000 0.937 92 V CB 1.200 32.975 31.823 -0.080 0.000 0.999 92 V HN 0.408 nan 8.190 nan 0.000 0.472 93 I N 3.759 124.250 120.570 -0.132 0.000 2.478 93 I HA 0.367 4.537 4.170 -0.000 0.000 0.287 93 I C -0.017 176.023 176.117 -0.129 0.000 1.042 93 I CA -0.948 60.285 61.300 -0.112 0.000 1.067 93 I CB 1.886 39.823 38.000 -0.105 0.000 1.233 93 I HN 0.592 nan 8.210 nan 0.000 0.431 94 E N 8.607 128.753 120.200 -0.089 0.000 2.351 94 E HA 0.225 4.575 4.350 -0.000 0.000 0.266 94 E C -2.320 174.279 176.600 -0.002 0.000 1.031 94 E CA -1.251 55.120 56.400 -0.047 0.000 0.911 94 E CB 0.633 30.337 29.700 0.006 0.000 0.986 94 E HN 0.188 nan 8.360 nan 0.000 0.446 95 P HA 0.195 nan 4.420 nan 0.000 0.274 95 P C -0.334 177.037 177.300 0.118 0.000 1.291 95 P CA -0.025 63.140 63.100 0.107 0.000 0.815 95 P CB 1.259 33.097 31.700 0.230 0.000 0.897 96 G N 1.957 110.778 108.800 0.036 0.000 3.310 96 G HA2 0.364 4.324 3.960 -0.000 0.000 0.174 96 G HA3 0.364 4.324 3.960 -0.000 0.000 0.174 96 G C 0.038 174.930 174.900 -0.013 0.000 1.097 96 G CA -0.560 44.546 45.100 0.009 0.000 0.795 96 G HN 0.307 nan 8.290 nan 0.000 0.670 97 M N 1.296 120.884 119.600 -0.020 0.000 2.560 97 M HA 0.518 4.998 4.480 -0.000 0.000 0.297 97 M C 0.064 176.363 176.300 -0.002 0.000 1.201 97 M CA -0.050 55.240 55.300 -0.016 0.000 0.973 97 M CB 0.976 33.560 32.600 -0.026 0.000 1.401 97 M HN 0.384 nan 8.290 nan 0.000 0.497 98 A N 0.444 123.264 122.820 -0.001 0.000 2.398 98 A HA 0.619 4.939 4.320 -0.000 0.000 0.301 98 A C -1.138 176.475 177.584 0.047 0.000 1.041 98 A CA -0.586 51.464 52.037 0.022 0.000 0.711 98 A CB 0.912 19.900 19.000 -0.020 0.000 1.240 98 A HN 0.309 nan 8.150 nan 0.000 0.420 99 F N 2.375 122.304 119.950 -0.036 0.000 2.572 99 F HA 0.407 4.934 4.527 -0.000 0.000 0.370 99 F C 1.290 177.063 175.800 -0.046 0.000 1.103 99 F CA 1.899 59.879 58.000 -0.035 0.000 1.286 99 F CB 0.769 39.747 39.000 -0.036 0.000 1.105 99 F HN 1.273 nan 8.300 nan 0.000 0.583 100 G N 2.747 111.366 108.800 -0.301 0.000 2.247 100 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.111 100 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.111 100 G C 0.538 175.336 174.900 -0.169 0.000 1.045 100 G CA 0.086 45.092 45.100 -0.158 0.000 0.715 100 G HN 1.068 nan 8.290 nan 0.000 0.485 101 T N -2.631 111.794 114.554 -0.214 0.000 3.035 101 T HA 0.371 4.721 4.350 -0.000 0.000 0.268 101 T C 2.398 177.077 174.700 -0.035 0.000 1.109 101 T CA 1.934 63.987 62.100 -0.079 0.000 1.119 101 T CB 0.154 69.013 68.868 -0.013 0.000 0.900 101 T HN 2.214 nan 8.240 nan 0.000 0.503 102 G N 0.788 109.506 108.800 -0.137 0.000 2.194 102 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.236 102 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.236 102 G C 0.360 175.082 174.900 -0.296 0.000 0.987 102 G CA 0.257 45.229 45.100 -0.213 0.000 0.635 102 G HN 0.658 nan 8.290 nan 0.000 0.520 103 H N 0.898 119.856 119.070 -0.185 0.000 2.519 103 H HA 0.662 5.218 4.556 -0.000 0.000 0.289 103 H C 1.245 176.485 175.328 -0.146 0.000 1.040 103 H CA 0.808 56.773 56.048 -0.138 0.000 1.165 103 H CB 0.471 30.172 29.762 -0.102 0.000 1.462 103 H HN 0.715 nan 8.280 nan 0.000 0.555 104 A N 0.117 122.855 122.820 -0.137 0.000 2.317 104 A HA 0.248 4.568 4.320 -0.000 0.000 0.327 104 A C 0.969 178.480 177.584 -0.122 0.000 1.178 104 A CA -0.622 51.340 52.037 -0.125 0.000 0.817 104 A CB 0.968 19.875 19.000 -0.154 0.000 1.189 104 A HN 0.415 nan 8.150 nan 0.000 0.489 105 E N 0.624 120.763 120.200 -0.103 0.000 2.114 105 E HA -0.252 4.098 4.350 -0.000 0.000 0.199 105 E C 2.035 178.546 176.600 -0.148 0.000 1.008 105 E CA 2.442 58.797 56.400 -0.075 0.000 0.810 105 E CB -0.208 29.530 29.700 0.064 0.000 0.739 105 E HN 0.950 nan 8.360 nan 0.000 0.456 106 T N -1.565 112.783 114.554 -0.343 0.000 2.708 106 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 106 T C 2.080 176.713 174.700 -0.112 0.000 1.037 106 T CA 1.719 63.662 62.100 -0.261 0.000 1.146 106 T CB -0.855 67.753 68.868 -0.433 0.000 0.865 106 T HN 0.016 nan 8.240 nan 0.000 0.435 107 T N 1.862 116.364 114.554 -0.086 0.000 2.665 107 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 107 T C 2.190 176.843 174.700 -0.079 0.000 1.035 107 T CA 1.501 63.562 62.100 -0.066 0.000 1.151 107 T CB -0.315 68.498 68.868 -0.092 0.000 0.862 107 T HN 0.433 nan 8.240 nan 0.000 0.438 108 R N 0.424 120.874 120.500 -0.084 0.000 2.081 108 R HA 0.042 4.381 4.340 -0.000 0.000 0.235 108 R C 2.562 178.852 176.300 -0.016 0.000 1.131 108 R CA 1.027 57.092 56.100 -0.058 0.000 0.960 108 R CB -0.642 29.620 30.300 -0.064 0.000 0.856 108 R HN 0.369 nan 8.270 nan 0.000 0.436 109 L N 0.203 121.419 121.223 -0.012 0.000 2.012 109 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 109 L C 2.708 179.589 176.870 0.018 0.000 1.073 109 L CA 1.462 56.311 54.840 0.016 0.000 0.748 109 L CB -0.612 41.464 42.059 0.029 0.000 0.891 109 L HN 0.260 nan 8.230 nan 0.000 0.431 110 A N -0.146 122.672 122.820 -0.004 0.000 1.902 110 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 110 A C 2.250 179.840 177.584 0.009 0.000 1.181 110 A CA 1.351 53.384 52.037 -0.007 0.000 0.623 110 A CB -0.669 18.313 19.000 -0.030 0.000 0.818 110 A HN 0.358 nan 8.150 nan 0.000 0.443 111 L N -0.799 120.421 121.223 -0.005 0.000 2.046 111 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 111 L C 2.606 179.601 176.870 0.209 0.000 1.077 111 L CA 1.765 56.621 54.840 0.027 0.000 0.747 111 L CB -0.367 41.661 42.059 -0.052 0.000 0.896 111 L HN 0.369 nan 8.230 nan 0.000 0.432 112 K N -0.195 120.288 120.400 0.139 0.000 2.057 112 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 112 K C 2.253 178.917 176.600 0.107 0.000 1.050 112 K CA 1.211 57.569 56.287 0.118 0.000 0.935 112 K CB -0.275 32.264 32.500 0.065 0.000 0.715 112 K HN 0.252 nan 8.250 nan 0.000 0.439 113 A N 1.580 124.467 122.820 0.112 0.000 1.940 113 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 113 A C 2.125 179.847 177.584 0.230 0.000 1.176 113 A CA 1.352 53.498 52.037 0.181 0.000 0.631 113 A CB -0.731 18.346 19.000 0.127 0.000 0.814 113 A HN 0.177 nan 8.150 nan 0.000 0.446 114 L N -0.953 120.368 121.223 0.163 0.000 2.079 114 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 114 L C 3.044 180.010 176.870 0.160 0.000 1.081 114 L CA 1.133 56.070 54.840 0.161 0.000 0.752 114 L CB -0.429 41.717 42.059 0.144 0.000 0.896 114 L HN 0.455 nan 8.230 nan 0.000 0.433 115 A N -0.277 122.633 122.820 0.151 0.000 2.014 115 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 115 A C 2.332 179.904 177.584 -0.021 0.000 1.163 115 A CA 1.056 53.119 52.037 0.043 0.000 0.652 115 A CB -0.336 18.638 19.000 -0.044 0.000 0.808 115 A HN 0.339 nan 8.150 nan 0.000 0.449 116 R N -1.534 118.938 120.500 -0.047 0.000 2.153 116 R HA 0.019 4.359 4.340 -0.000 0.000 0.218 116 R C 1.338 177.442 176.300 -0.328 0.000 1.072 116 R CA 1.241 57.208 56.100 -0.221 0.000 0.990 116 R CB -0.154 29.938 30.300 -0.346 0.000 0.889 116 R HN 0.654 nan 8.270 nan 0.000 0.452 117 H N -0.852 118.224 119.070 0.010 0.000 3.017 117 H HA 0.170 4.726 4.556 -0.000 0.000 0.255 117 H C 0.393 175.732 175.328 0.018 0.000 0.990 117 H CA -0.270 55.784 56.048 0.010 0.000 1.205 117 H CB 0.579 30.344 29.762 0.004 0.000 1.460 117 H HN 0.023 nan 8.280 nan 0.000 0.478 118 L N 3.094 124.395 121.223 0.130 0.000 2.367 118 L HA 0.180 4.520 4.340 -0.000 0.000 0.275 118 L C -0.164 176.742 176.870 0.060 0.000 1.129 118 L CA -0.428 54.468 54.840 0.092 0.000 0.839 118 L CB 0.392 42.504 42.059 0.088 0.000 1.133 118 L HN -0.117 nan 8.230 nan 0.000 0.453 119 R N 5.114 125.647 120.500 0.055 0.000 2.428 119 R HA 0.443 4.783 4.340 -0.000 0.000 0.294 119 R C -2.465 173.856 176.300 0.036 0.000 1.000 119 R CA -2.812 53.310 56.100 0.038 0.000 0.960 119 R CB 0.480 30.802 30.300 0.037 0.000 1.076 119 R HN 0.391 nan 8.270 nan 0.000 0.475 120 P HA 0.014 nan 4.420 nan 0.000 0.262 120 P C 0.700 178.014 177.300 0.025 0.000 1.182 120 P CA 1.071 64.185 63.100 0.024 0.000 0.761 120 P CB 0.436 32.146 31.700 0.016 0.000 0.795 121 G N 2.249 111.065 108.800 0.026 0.000 2.217 121 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.246 121 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.246 121 G C 0.051 174.971 174.900 0.033 0.000 0.990 121 G CA -0.319 44.796 45.100 0.025 0.000 0.627 121 G HN 0.488 nan 8.290 nan 0.000 0.522 122 D N 1.451 121.876 120.400 0.043 0.000 2.525 122 D HA 0.304 4.944 4.640 -0.000 0.000 0.235 122 D C 0.826 177.170 176.300 0.074 0.000 1.137 122 D CA 0.583 54.618 54.000 0.059 0.000 0.868 122 D CB 0.519 41.359 40.800 0.067 0.000 1.180 122 D HN 0.374 nan 8.370 nan 0.000 0.465 123 K N 1.198 121.658 120.400 0.100 0.000 2.312 123 K HA 0.342 4.662 4.320 -0.000 0.000 0.287 123 K C -0.709 176.057 176.600 0.277 0.000 1.062 123 K CA -0.485 55.906 56.287 0.174 0.000 0.934 123 K CB 1.046 33.621 32.500 0.126 0.000 1.027 123 K HN 0.114 nan 8.250 nan 0.000 0.478 124 V N 4.669 124.716 119.914 0.221 0.000 2.540 124 V HA 0.291 4.411 4.120 -0.000 0.000 0.302 124 V C -0.856 175.171 176.094 -0.111 0.000 1.035 124 V CA -1.046 61.295 62.300 0.069 0.000 0.873 124 V CB 1.573 33.400 31.823 0.008 0.000 0.992 124 V HN 0.524 nan 8.190 nan 0.000 0.428 125 L N 3.936 124.922 121.223 -0.395 0.000 2.280 125 L HA 0.608 4.948 4.340 -0.000 0.000 0.287 125 L C -0.387 176.290 176.870 -0.322 0.000 1.023 125 L CA 0.059 54.516 54.840 -0.638 0.000 0.819 125 L CB 1.267 42.663 42.059 -1.105 0.000 1.212 125 L HN 0.690 nan 8.230 nan 0.000 0.420 126 D N 4.783 125.052 120.400 -0.219 0.000 2.456 126 D HA 0.173 4.813 4.640 -0.000 0.000 0.219 126 D C -0.877 175.363 176.300 -0.100 0.000 1.126 126 D CA -0.293 53.632 54.000 -0.125 0.000 0.890 126 D CB 0.494 41.258 40.800 -0.061 0.000 1.025 126 D HN 0.439 nan 8.370 nan 0.000 0.511 127 L N 3.748 124.908 121.223 -0.104 0.000 2.315 127 L HA 0.501 4.840 4.340 -0.000 0.000 0.283 127 L C 0.891 177.750 176.870 -0.020 0.000 1.089 127 L CA 0.552 55.359 54.840 -0.056 0.000 0.833 127 L CB 0.661 42.700 42.059 -0.034 0.000 1.170 127 L HN 0.602 nan 8.230 nan 0.000 0.442 128 G N 2.676 111.473 108.800 -0.005 0.000 2.470 128 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.286 128 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.286 128 G C 0.615 175.522 174.900 0.013 0.000 1.115 128 G CA 0.355 45.456 45.100 0.001 0.000 1.122 128 G HN 0.815 nan 8.290 nan 0.000 0.522 129 T N -0.500 114.072 114.554 0.029 0.000 2.915 129 T HA 0.317 4.667 4.350 -0.000 0.000 0.269 129 T C 2.578 177.293 174.700 0.025 0.000 1.071 129 T CA 2.652 64.781 62.100 0.050 0.000 1.132 129 T CB -0.576 68.374 68.868 0.137 0.000 0.878 129 T HN 2.410 nan 8.240 nan 0.000 0.479 130 G N 0.744 109.550 108.800 0.011 0.000 2.629 130 G HA2 -0.406 3.553 3.960 -0.000 0.000 0.313 130 G HA3 -0.406 3.553 3.960 -0.000 0.000 0.313 130 G C 1.331 176.200 174.900 -0.051 0.000 1.217 130 G CA 1.630 46.740 45.100 0.016 0.000 0.994 130 G HN 1.096 nan 8.290 nan 0.000 0.549 131 S N 0.850 116.527 115.700 -0.040 0.000 2.469 131 S HA 0.279 4.749 4.470 -0.000 0.000 0.238 131 S C 2.541 177.059 174.600 -0.136 0.000 0.998 131 S CA 1.781 59.926 58.200 -0.091 0.000 0.957 131 S CB -0.257 62.900 63.200 -0.072 0.000 0.764 131 S HN 2.870 nan 8.310 nan 0.000 0.514 132 G N -0.183 108.564 108.800 -0.088 0.000 2.175 132 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.244 132 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.244 132 G C 0.753 175.694 174.900 0.069 0.000 0.982 132 G CA 0.431 45.542 45.100 0.020 0.000 0.641 132 G HN 0.947 nan 8.290 nan 0.000 0.527 133 V N 1.021 120.920 119.914 -0.025 0.000 2.324 133 V HA -0.161 3.958 4.120 -0.000 0.000 0.250 133 V C 2.682 178.702 176.094 -0.123 0.000 1.060 133 V CA 2.919 65.167 62.300 -0.086 0.000 1.042 133 V CB -0.273 31.476 31.823 -0.123 0.000 0.650 133 V HN 0.537 nan 8.190 nan 0.000 0.450 134 L N -0.185 120.985 121.223 -0.088 0.000 2.109 134 L HA -0.017 4.322 4.340 -0.000 0.000 0.207 134 L C 2.784 179.602 176.870 -0.085 0.000 1.086 134 L CA 1.443 56.216 54.840 -0.113 0.000 0.760 134 L CB -0.910 41.105 42.059 -0.074 0.000 0.910 134 L HN 0.426 nan 8.230 nan 0.000 0.437 135 A N 0.270 123.077 122.820 -0.021 0.000 1.969 135 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 135 A C 2.192 179.751 177.584 -0.041 0.000 1.169 135 A CA 1.278 53.295 52.037 -0.033 0.000 0.635 135 A CB -0.518 18.476 19.000 -0.011 0.000 0.810 135 A HN 0.348 nan 8.150 nan 0.000 0.445 136 I N -0.525 120.040 120.570 -0.009 0.000 2.286 136 I HA -0.204 3.965 4.170 -0.000 0.000 0.245 136 I C 2.929 179.000 176.117 -0.077 0.000 1.104 136 I CA 0.879 62.167 61.300 -0.020 0.000 1.397 136 I CB -0.260 37.737 38.000 -0.004 0.000 1.072 136 I HN 0.344 nan 8.210 nan 0.000 0.417 137 A N 0.849 123.559 122.820 -0.183 0.000 1.902 137 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 137 A C 2.564 180.113 177.584 -0.058 0.000 1.181 137 A CA 1.753 53.600 52.037 -0.317 0.000 0.623 137 A CB -0.854 17.699 19.000 -0.744 0.000 0.818 137 A HN 0.407 nan 8.150 nan 0.000 0.443 138 A N -0.264 122.529 122.820 -0.045 0.000 1.917 138 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 138 A C 1.962 179.563 177.584 0.029 0.000 1.182 138 A CA 1.806 53.852 52.037 0.015 0.000 0.633 138 A CB -0.490 18.501 19.000 -0.015 0.000 0.819 138 A HN 0.533 nan 8.150 nan 0.000 0.448 139 E N -0.067 120.135 120.200 0.003 0.000 2.106 139 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 139 E C 1.837 178.460 176.600 0.037 0.000 0.984 139 E CA 0.956 57.360 56.400 0.006 0.000 0.806 139 E CB -0.228 29.462 29.700 -0.017 0.000 0.750 139 E HN 0.491 nan 8.360 nan 0.000 0.458 140 K N 0.538 120.977 120.400 0.065 0.000 2.211 140 K HA -0.044 4.276 4.320 -0.000 0.000 0.203 140 K C 2.052 178.724 176.600 0.119 0.000 1.050 140 K CA 0.516 56.867 56.287 0.107 0.000 0.945 140 K CB -0.134 32.475 32.500 0.182 0.000 0.732 140 K HN 0.205 nan 8.250 nan 0.000 0.451 141 L N -0.029 121.275 121.223 0.135 0.000 2.612 141 L HA 0.087 4.427 4.340 -0.000 0.000 0.230 141 L C 0.993 177.899 176.870 0.059 0.000 1.140 141 L CA 0.336 55.238 54.840 0.103 0.000 0.896 141 L CB -0.122 42.023 42.059 0.144 0.000 1.065 141 L HN 0.372 nan 8.230 nan 0.000 0.447 142 G N -0.441 108.388 108.800 0.048 0.000 2.157 142 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.239 142 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.239 142 G C 0.525 175.443 174.900 0.030 0.000 0.982 142 G CA -0.224 44.895 45.100 0.032 0.000 0.650 142 G HN 0.500 nan 8.290 nan 0.000 0.527 143 G N -0.436 108.385 108.800 0.035 0.000 2.537 143 G HA2 0.538 4.497 3.960 -0.000 0.000 0.273 143 G HA3 0.538 4.497 3.960 -0.000 0.000 0.273 143 G C -0.179 174.732 174.900 0.018 0.000 1.189 143 G CA -0.480 44.639 45.100 0.033 0.000 0.881 143 G HN 0.309 nan 8.290 nan 0.000 0.535 144 K N 0.321 120.736 120.400 0.025 0.000 2.240 144 K HA 0.537 4.857 4.320 -0.000 0.000 0.271 144 K C -0.305 176.303 176.600 0.012 0.000 1.018 144 K CA -0.294 55.999 56.287 0.010 0.000 0.874 144 K CB 1.696 34.208 32.500 0.020 0.000 1.098 144 K HN 0.526 nan 8.250 nan 0.000 0.458 145 A N 3.475 126.264 122.820 -0.052 0.000 2.330 145 A HA 0.536 4.856 4.320 -0.000 0.000 0.327 145 A C -1.361 176.123 177.584 -0.167 0.000 1.155 145 A CA -0.722 51.260 52.037 -0.093 0.000 0.803 145 A CB 0.817 19.739 19.000 -0.129 0.000 1.208 145 A HN 0.568 nan 8.150 nan 0.000 0.477 146 L N 2.494 123.632 121.223 -0.142 0.000 2.298 146 L HA 0.729 5.069 4.340 -0.000 0.000 0.284 146 L C 0.274 177.014 176.870 -0.217 0.000 1.013 146 L CA -0.191 54.521 54.840 -0.213 0.000 0.824 146 L CB 1.304 43.303 42.059 -0.100 0.000 1.221 146 L HN 0.706 nan 8.230 nan 0.000 0.418 147 G N 5.225 113.897 108.800 -0.213 0.000 2.335 147 G HA2 0.572 4.532 3.960 -0.000 0.000 0.314 147 G HA3 0.572 4.532 3.960 -0.000 0.000 0.314 147 G C -0.869 174.092 174.900 0.100 0.000 1.129 147 G CA -0.267 44.850 45.100 0.029 0.000 0.912 147 G HN 0.821 nan 8.290 nan 0.000 0.443 148 V N 0.085 120.019 119.914 0.034 0.000 2.667 148 V HA 0.831 4.951 4.120 -0.000 0.000 0.308 148 V C -0.957 175.162 176.094 0.042 0.000 1.048 148 V CA -1.163 61.162 62.300 0.041 0.000 0.928 148 V CB 2.297 34.129 31.823 0.015 0.000 1.004 148 V HN 0.570 nan 8.190 nan 0.000 0.444 149 D N 1.649 122.073 120.400 0.039 0.000 2.927 149 D HA 0.378 5.018 4.640 -0.000 0.000 0.219 149 D C 0.692 177.004 176.300 0.021 0.000 1.248 149 D CA -0.355 53.659 54.000 0.023 0.000 0.861 149 D CB 2.433 43.240 40.800 0.011 0.000 1.677 149 D HN 0.721 nan 8.370 nan 0.000 0.511 150 I N -0.835 119.746 120.570 0.018 0.000 2.761 150 I HA 0.116 4.286 4.170 -0.000 0.000 0.261 150 I C 0.630 176.754 176.117 0.012 0.000 1.198 150 I CA 0.330 61.641 61.300 0.019 0.000 1.482 150 I CB 0.067 38.079 38.000 0.020 0.000 1.100 150 I HN 0.048 nan 8.210 nan 0.000 0.445 151 D N 3.613 124.017 120.400 0.006 0.000 2.365 151 D HA 0.164 4.804 4.640 -0.000 0.000 0.237 151 D C -1.450 174.846 176.300 -0.006 0.000 1.190 151 D CA -2.711 51.289 54.000 -0.000 0.000 0.867 151 D CB 1.302 42.100 40.800 -0.003 0.000 1.050 151 D HN 0.097 nan 8.370 nan 0.000 0.491 152 P HA -0.088 nan 4.420 nan 0.000 0.229 152 P C 1.459 178.746 177.300 -0.021 0.000 1.160 152 P CA 0.375 63.470 63.100 -0.009 0.000 0.777 152 P CB 0.204 31.903 31.700 -0.002 0.000 0.814 153 M N -0.017 119.570 119.600 -0.022 0.000 2.296 153 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 153 M C 2.057 178.330 176.300 -0.044 0.000 1.064 153 M CA 1.241 56.524 55.300 -0.028 0.000 1.109 153 M CB -1.572 31.015 32.600 -0.022 0.000 1.396 153 M HN -0.036 nan 8.290 nan 0.000 0.430 154 V N -2.887 116.997 119.914 -0.050 0.000 2.951 154 V HA -0.064 4.055 4.120 -0.000 0.000 0.255 154 V C 2.100 178.110 176.094 -0.141 0.000 1.088 154 V CA 0.677 62.930 62.300 -0.079 0.000 1.109 154 V CB -0.939 30.849 31.823 -0.059 0.000 0.724 154 V HN 0.331 nan 8.190 nan 0.000 0.471 155 L N 0.268 121.417 121.223 -0.124 0.000 2.012 155 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 155 L C 0.301 177.048 176.870 -0.204 0.000 1.073 155 L CA 1.993 56.728 54.840 -0.175 0.000 0.748 155 L CB -2.064 39.953 42.059 -0.070 0.000 0.891 155 L HN 0.353 nan 8.230 nan 0.000 0.431 156 P HA -0.169 nan 4.420 nan 0.000 0.218 156 P C 1.470 178.692 177.300 -0.130 0.000 1.149 156 P CA 1.222 64.261 63.100 -0.101 0.000 0.817 156 P CB -0.009 31.655 31.700 -0.060 0.000 0.785 157 Q N -0.655 119.061 119.800 -0.141 0.000 2.124 157 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 157 Q C 2.195 178.069 176.000 -0.210 0.000 0.977 157 Q CA 1.630 57.350 55.803 -0.137 0.000 0.850 157 Q CB -0.649 28.025 28.738 -0.108 0.000 0.901 157 Q HN 0.200 nan 8.270 nan 0.000 0.429 158 A N 1.198 123.797 122.820 -0.368 0.000 1.897 158 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 158 A C 1.933 179.149 177.584 -0.613 0.000 1.181 158 A CA 0.952 52.614 52.037 -0.625 0.000 0.620 158 A CB -0.202 18.121 19.000 -1.128 0.000 0.821 158 A HN 0.188 nan 8.150 nan 0.000 0.443 159 E N 0.203 120.107 120.200 -0.493 0.000 2.058 159 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 159 E C 2.323 178.901 176.600 -0.036 0.000 0.997 159 E CA 1.338 57.675 56.400 -0.105 0.000 0.801 159 E CB -0.517 29.165 29.700 -0.030 0.000 0.746 159 E HN 0.579 nan 8.360 nan 0.000 0.450 160 A N 1.874 124.650 122.820 -0.074 0.000 1.933 160 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 160 A C 1.944 179.509 177.584 -0.031 0.000 1.175 160 A CA 1.357 53.371 52.037 -0.038 0.000 0.628 160 A CB -0.388 18.586 19.000 -0.043 0.000 0.814 160 A HN 0.132 nan 8.150 nan 0.000 0.444 161 N N 0.445 119.109 118.700 -0.059 0.000 2.188 161 N HA -0.084 4.656 4.740 -0.000 0.000 0.184 161 N C 1.920 177.433 175.510 0.005 0.000 1.018 161 N CA 1.431 54.455 53.050 -0.042 0.000 0.858 161 N CB -0.546 37.899 38.487 -0.071 0.000 0.989 161 N HN 0.457 nan 8.380 nan 0.000 0.426 162 A N 1.734 124.588 122.820 0.056 0.000 1.883 162 A HA -0.160 4.159 4.320 -0.000 0.000 0.217 162 A C 2.066 179.688 177.584 0.063 0.000 1.186 162 A CA 1.453 53.560 52.037 0.116 0.000 0.624 162 A CB -0.436 18.718 19.000 0.256 0.000 0.822 162 A HN 0.267 nan 8.150 nan 0.000 0.444 163 K N -0.601 119.828 120.400 0.049 0.000 2.280 163 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 163 K C 1.868 178.480 176.600 0.020 0.000 1.047 163 K CA 1.151 57.457 56.287 0.032 0.000 0.942 163 K CB -0.150 32.366 32.500 0.026 0.000 0.739 163 K HN 0.426 nan 8.250 nan 0.000 0.457 164 R N 0.336 120.843 120.500 0.011 0.000 2.307 164 R HA 0.057 4.397 4.340 -0.000 0.000 0.199 164 R C 0.935 177.236 176.300 0.002 0.000 1.000 164 R CA 0.486 56.587 56.100 0.002 0.000 1.023 164 R CB 0.083 30.375 30.300 -0.015 0.000 0.908 164 R HN 0.236 nan 8.270 nan 0.000 0.473 165 N N -0.668 118.039 118.700 0.011 0.000 2.143 165 N HA 0.044 4.784 4.740 -0.000 0.000 0.222 165 N C 0.474 175.996 175.510 0.020 0.000 1.264 165 N CA 0.655 53.712 53.050 0.012 0.000 0.897 165 N CB 1.849 40.340 38.487 0.007 0.000 1.092 165 N HN 0.248 nan 8.380 nan 0.000 0.516 166 G N 1.742 110.556 108.800 0.023 0.000 2.176 166 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.252 166 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.252 166 G C 0.104 175.017 174.900 0.021 0.000 1.024 166 G CA 0.859 45.972 45.100 0.022 0.000 0.755 166 G HN 0.331 nan 8.290 nan 0.000 0.507 167 V N -3.958 115.971 119.914 0.025 0.000 2.960 167 V HA 0.923 5.043 4.120 -0.000 0.000 0.315 167 V C 0.141 176.246 176.094 0.019 0.000 1.087 167 V CA -1.337 60.973 62.300 0.016 0.000 0.982 167 V CB 2.176 34.005 31.823 0.010 0.000 1.039 167 V HN 0.370 nan 8.190 nan 0.000 0.437 168 R N 2.316 122.808 120.500 -0.012 0.000 2.629 168 R HA 0.472 4.812 4.340 -0.000 0.000 0.277 168 R C -2.738 173.483 176.300 -0.133 0.000 1.637 168 R CA -1.498 54.585 56.100 -0.028 0.000 1.663 168 R CB 1.057 31.352 30.300 -0.008 0.000 1.228 168 R HN 0.712 nan 8.270 nan 0.000 0.632 169 P HA -0.061 nan 4.420 nan 0.000 0.269 169 P C -0.852 176.078 177.300 -0.616 0.000 1.217 169 P CA -0.114 62.681 63.100 -0.508 0.000 0.783 169 P CB 0.505 31.686 31.700 -0.865 0.000 0.898 170 R N 2.008 122.203 120.500 -0.508 0.000 2.347 170 R HA 0.291 4.630 4.340 -0.000 0.000 0.304 170 R C -0.930 175.023 176.300 -0.578 0.000 1.072 170 R CA -0.105 55.738 56.100 -0.427 0.000 0.980 170 R CB -0.244 29.851 30.300 -0.341 0.000 0.986 170 R HN 0.326 nan 8.270 nan 0.000 0.448 171 F N 4.933 124.820 119.950 -0.104 0.000 2.469 171 F HA 0.468 4.995 4.527 -0.000 0.000 0.332 171 F C -0.230 175.513 175.800 -0.096 0.000 1.103 171 F CA -1.042 56.904 58.000 -0.091 0.000 0.979 171 F CB 1.784 40.748 39.000 -0.059 0.000 1.137 171 F HN 0.359 nan 8.300 nan 0.000 0.463 172 L N 2.534 123.826 121.223 0.115 0.000 2.482 172 L HA 0.389 4.729 4.340 -0.000 0.000 0.263 172 L C -0.858 176.046 176.870 0.057 0.000 0.957 172 L CA -0.412 54.452 54.840 0.040 0.000 0.836 172 L CB 2.062 44.092 42.059 -0.048 0.000 1.324 172 L HN 0.625 nan 8.230 nan 0.000 0.406 173 E N 3.538 123.769 120.200 0.053 0.000 2.257 173 E HA 0.562 4.912 4.350 -0.000 0.000 0.278 173 E C -0.004 176.627 176.600 0.052 0.000 1.049 173 E CA 0.676 57.102 56.400 0.045 0.000 0.876 173 E CB 0.531 30.254 29.700 0.037 0.000 1.035 173 E HN 0.940 nan 8.360 nan 0.000 0.419 174 G N 2.319 111.147 108.800 0.046 0.000 2.332 174 G HA2 0.046 4.006 3.960 -0.000 0.000 0.265 174 G HA3 0.046 4.006 3.960 -0.000 0.000 0.265 174 G C -0.894 174.034 174.900 0.046 0.000 1.329 174 G CA -0.112 45.018 45.100 0.051 0.000 0.949 174 G HN 0.589 nan 8.290 nan 0.000 0.476 175 S N -2.170 113.561 115.700 0.053 0.000 3.255 175 S HA 0.611 5.081 4.470 -0.000 0.000 0.305 175 S C 1.279 175.919 174.600 0.067 0.000 1.067 175 S CA 0.497 58.725 58.200 0.047 0.000 0.966 175 S CB 0.855 64.076 63.200 0.034 0.000 1.366 175 S HN 1.417 nan 8.310 nan 0.000 0.717 176 L N 2.476 123.741 121.223 0.071 0.000 2.043 176 L HA 0.018 4.358 4.340 -0.000 0.000 0.212 176 L C 2.349 179.290 176.870 0.119 0.000 1.075 176 L CA 2.360 57.260 54.840 0.101 0.000 0.752 176 L CB -1.021 41.106 42.059 0.115 0.000 0.891 176 L HN 0.842 nan 8.230 nan 0.000 0.432 177 E N -0.905 119.350 120.200 0.092 0.000 2.077 177 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 177 E C 2.028 178.698 176.600 0.117 0.000 0.989 177 E CA 1.127 57.582 56.400 0.091 0.000 0.800 177 E CB -0.076 29.660 29.700 0.060 0.000 0.746 177 E HN 0.585 nan 8.360 nan 0.000 0.452 178 A N 0.728 123.625 122.820 0.128 0.000 2.015 178 A HA -0.025 4.294 4.320 -0.000 0.000 0.219 178 A C 2.199 179.963 177.584 0.301 0.000 1.163 178 A CA 1.541 53.683 52.037 0.176 0.000 0.646 178 A CB -0.325 18.764 19.000 0.148 0.000 0.806 178 A HN 0.367 nan 8.150 nan 0.000 0.448 179 A N -1.077 121.915 122.820 0.288 0.000 2.030 179 A HA 0.258 4.578 4.320 -0.000 0.000 0.215 179 A C 1.817 179.728 177.584 0.545 0.000 1.164 179 A CA 0.843 53.138 52.037 0.429 0.000 0.697 179 A CB -0.351 18.780 19.000 0.218 0.000 0.827 179 A HN 0.337 nan 8.150 nan 0.000 0.457 180 L N 0.272 121.699 121.223 0.340 0.000 2.043 180 L HA -0.111 4.228 4.340 -0.000 0.000 0.212 180 L C -0.695 176.242 176.870 0.113 0.000 1.075 180 L CA 2.211 57.203 54.840 0.253 0.000 0.752 180 L CB -1.415 40.734 42.059 0.150 0.000 0.891 180 L HN 0.242 nan 8.230 nan 0.000 0.432 181 P HA -0.090 nan 4.420 nan 0.000 0.233 181 P C 1.170 178.249 177.300 -0.370 0.000 1.167 181 P CA 1.095 64.064 63.100 -0.219 0.000 0.770 181 P CB -0.060 31.433 31.700 -0.345 0.000 0.837 182 F N -1.196 118.751 119.950 -0.005 0.000 2.765 182 F HA 0.292 4.819 4.527 -0.000 0.000 0.302 182 F C 1.848 177.374 175.800 -0.457 0.000 1.111 182 F CA -0.095 57.858 58.000 -0.079 0.000 1.359 182 F CB -0.288 38.776 39.000 0.108 0.000 1.097 182 F HN -0.113 nan 8.300 nan 0.000 0.577 183 G N 0.124 108.636 108.800 -0.481 0.000 2.736 183 G HA2 0.445 4.404 3.960 -0.000 0.000 0.229 183 G HA3 0.445 4.404 3.960 -0.000 0.000 0.229 183 G C -2.248 172.417 174.900 -0.391 0.000 1.380 183 G CA -0.950 43.581 45.100 -0.948 0.000 1.040 183 G HN -0.167 nan 8.290 nan 0.000 0.568 184 P HA 0.353 nan 4.420 nan 0.000 0.272 184 P C -1.243 175.837 177.300 -0.367 0.000 1.240 184 P CA -0.147 62.822 63.100 -0.217 0.000 0.791 184 P CB 0.667 32.344 31.700 -0.038 0.000 0.978 185 F N -0.615 119.365 119.950 0.050 0.000 2.483 185 F HA 0.241 4.768 4.527 -0.000 0.000 0.329 185 F C 1.697 177.519 175.800 0.035 0.000 1.064 185 F CA -0.329 57.696 58.000 0.041 0.000 0.986 185 F CB 0.709 39.731 39.000 0.037 0.000 1.218 185 F HN 0.206 nan 8.300 nan 0.000 0.484 186 D N 0.705 121.235 120.400 0.216 0.000 2.249 186 D HA 0.050 4.690 4.640 -0.000 0.000 0.205 186 D C -0.051 176.327 176.300 0.129 0.000 0.962 186 D CA 1.207 55.289 54.000 0.136 0.000 0.860 186 D CB 0.661 41.521 40.800 0.101 0.000 0.955 186 D HN 0.224 nan 8.370 nan 0.000 0.505 187 L N 0.738 122.046 121.223 0.140 0.000 2.493 187 L HA 0.355 4.695 4.340 -0.000 0.000 0.265 187 L C -1.901 174.963 176.870 -0.011 0.000 0.954 187 L CA -0.853 54.022 54.840 0.058 0.000 0.844 187 L CB 2.392 44.477 42.059 0.044 0.000 1.302 187 L HN -0.218 nan 8.230 nan 0.000 0.405 188 L N 5.702 126.877 121.223 -0.080 0.000 2.313 188 L HA 0.744 5.084 4.340 -0.000 0.000 0.283 188 L C -1.504 175.241 176.870 -0.208 0.000 1.013 188 L CA -0.252 54.471 54.840 -0.194 0.000 0.816 188 L CB 1.844 43.746 42.059 -0.260 0.000 1.236 188 L HN 0.431 nan 8.230 nan 0.000 0.419 189 V N 5.388 125.187 119.914 -0.191 0.000 2.495 189 V HA 0.938 5.058 4.120 -0.000 0.000 0.298 189 V C -0.611 175.400 176.094 -0.140 0.000 1.031 189 V CA 0.195 62.402 62.300 -0.156 0.000 0.871 189 V CB 1.536 33.299 31.823 -0.101 0.000 0.988 189 V HN 1.067 nan 8.190 nan 0.000 0.432 190 A N 5.029 127.783 122.820 -0.110 0.000 2.530 190 A HA 0.551 4.870 4.320 -0.000 0.000 0.279 190 A C -0.815 176.830 177.584 0.101 0.000 1.109 190 A CA -0.542 51.494 52.037 -0.002 0.000 0.763 190 A CB 0.846 19.871 19.000 0.040 0.000 1.257 190 A HN 0.761 nan 8.150 nan 0.000 0.424 191 N N 3.540 122.269 118.700 0.049 0.000 2.801 191 N HA 0.524 5.264 4.740 -0.000 0.000 0.235 191 N C -0.164 175.346 175.510 -0.001 0.000 1.069 191 N CA -0.094 52.983 53.050 0.045 0.000 0.946 191 N CB -0.215 38.276 38.487 0.006 0.000 1.212 191 N HN 0.635 nan 8.380 nan 0.000 0.509 192 L N 1.468 122.684 121.223 -0.012 0.000 2.679 192 L HA 0.599 4.939 4.340 -0.000 0.000 0.217 192 L C -0.608 176.222 176.870 -0.067 0.000 1.659 192 L CA -0.788 53.943 54.840 -0.181 0.000 2.908 192 L CB 0.024 41.779 42.059 -0.507 0.000 2.698 192 L HN 0.313 nan 8.230 nan 0.000 0.828 193 Y N -3.356 116.752 120.300 -0.319 0.000 2.609 193 Y HA 0.666 5.216 4.550 -0.000 0.000 0.336 193 Y C 0.509 176.326 175.900 -0.137 0.000 1.129 193 Y CA -0.766 57.264 58.100 -0.116 0.000 1.040 193 Y CB 1.011 39.439 38.460 -0.053 0.000 1.310 193 Y HN 0.295 nan 8.280 nan 0.000 0.460 194 A N 0.868 123.798 122.820 0.184 0.000 1.927 194 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 194 A C 1.563 179.186 177.584 0.064 0.000 1.185 194 A CA 2.591 54.727 52.037 0.166 0.000 0.639 194 A CB -0.757 18.346 19.000 0.172 0.000 0.820 194 A HN 0.920 nan 8.150 nan 0.000 0.451 195 E N -0.891 119.369 120.200 0.100 0.000 2.107 195 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 195 E C 1.849 178.389 176.600 -0.100 0.000 0.982 195 E CA 0.837 57.275 56.400 0.064 0.000 0.809 195 E CB -0.294 29.521 29.700 0.191 0.000 0.756 195 E HN 0.495 nan 8.360 nan 0.000 0.459 196 L N 0.433 121.400 121.223 -0.427 0.000 2.072 196 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 196 L C 1.868 178.523 176.870 -0.357 0.000 1.079 196 L CA 1.865 56.375 54.840 -0.551 0.000 0.752 196 L CB -0.581 40.799 42.059 -1.131 0.000 0.906 196 L HN 0.199 nan 8.230 nan 0.000 0.436 197 H N -0.136 118.798 119.070 -0.228 0.000 2.319 197 H HA -0.083 4.472 4.556 -0.000 0.000 0.299 197 H C 2.174 177.384 175.328 -0.196 0.000 1.092 197 H CA 1.510 57.496 56.048 -0.103 0.000 1.302 197 H CB -0.766 29.014 29.762 0.030 0.000 1.373 197 H HN 0.464 nan 8.280 nan 0.000 0.497 198 A N 1.189 124.007 122.820 -0.003 0.000 1.883 198 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 198 A C 2.725 180.246 177.584 -0.104 0.000 1.186 198 A CA 2.250 54.258 52.037 -0.048 0.000 0.624 198 A CB -0.969 18.024 19.000 -0.011 0.000 0.822 198 A HN 0.467 nan 8.150 nan 0.000 0.444 199 A N -0.696 122.051 122.820 -0.122 0.000 1.930 199 A HA 0.050 4.369 4.320 -0.000 0.000 0.217 199 A C 2.038 179.499 177.584 -0.205 0.000 1.175 199 A CA 1.455 53.413 52.037 -0.131 0.000 0.627 199 A CB -0.436 18.499 19.000 -0.107 0.000 0.815 199 A HN 0.479 nan 8.150 nan 0.000 0.443 200 L N -1.302 119.708 121.223 -0.355 0.000 2.529 200 L HA 0.077 4.417 4.340 -0.000 0.000 0.223 200 L C 2.810 179.222 176.870 -0.764 0.000 1.113 200 L CA 0.415 54.912 54.840 -0.572 0.000 0.861 200 L CB -0.548 41.050 42.059 -0.769 0.000 1.012 200 L HN 0.411 nan 8.230 nan 0.000 0.461 201 A N 1.864 124.340 122.820 -0.573 0.000 1.916 201 A HA -0.246 4.074 4.320 -0.000 0.000 0.224 201 A C -0.129 177.454 177.584 -0.003 0.000 1.366 201 A CA 2.557 54.452 52.037 -0.237 0.000 0.692 201 A CB -2.063 16.874 19.000 -0.105 0.000 0.841 201 A HN 0.302 nan 8.150 nan 0.000 0.480 202 P HA -0.112 nan 4.420 nan 0.000 0.217 202 P C 1.317 178.651 177.300 0.057 0.000 1.150 202 P CA 1.053 64.174 63.100 0.035 0.000 0.832 202 P CB -0.085 31.612 31.700 -0.005 0.000 0.787 203 R N -1.286 119.214 120.500 -0.000 0.000 2.148 203 R HA -0.018 4.322 4.340 -0.000 0.000 0.223 203 R C 2.402 178.823 176.300 0.200 0.000 1.088 203 R CA 1.040 57.173 56.100 0.055 0.000 0.985 203 R CB -1.541 28.760 30.300 0.002 0.000 0.880 203 R HN 0.433 nan 8.270 nan 0.000 0.451 204 Y N 0.734 121.107 120.300 0.123 0.000 2.165 204 Y HA -0.239 4.311 4.550 -0.000 0.000 0.286 204 Y C 2.776 178.859 175.900 0.305 0.000 1.155 204 Y CA 0.917 59.120 58.100 0.171 0.000 1.164 204 Y CB -0.135 38.374 38.460 0.081 0.000 0.978 204 Y HN 0.078 nan 8.280 nan 0.000 0.513 205 R N 1.030 121.813 120.500 0.472 0.000 2.075 205 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 205 R C 1.753 178.122 176.300 0.115 0.000 1.126 205 R CA 1.854 58.072 56.100 0.196 0.000 0.963 205 R CB -0.162 30.105 30.300 -0.056 0.000 0.858 205 R HN 0.419 nan 8.270 nan 0.000 0.435 206 E N -0.121 120.152 120.200 0.123 0.000 2.204 206 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 206 E C 1.752 178.434 176.600 0.137 0.000 0.989 206 E CA 0.978 57.435 56.400 0.095 0.000 0.824 206 E CB -0.025 29.722 29.700 0.079 0.000 0.756 206 E HN 0.438 nan 8.360 nan 0.000 0.477 207 A N 0.705 123.650 122.820 0.209 0.000 2.119 207 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 207 A C 0.979 178.738 177.584 0.291 0.000 1.153 207 A CA 0.562 52.770 52.037 0.285 0.000 0.692 207 A CB -0.084 19.106 19.000 0.317 0.000 0.799 207 A HN 0.066 nan 8.150 nan 0.000 0.458 208 L N 0.349 121.699 121.223 0.212 0.000 2.334 208 L HA 0.443 4.783 4.340 -0.000 0.000 0.273 208 L C 0.200 177.128 176.870 0.097 0.000 1.013 208 L CA -1.235 53.713 54.840 0.180 0.000 0.816 208 L CB 1.937 44.115 42.059 0.198 0.000 1.278 208 L HN 0.178 nan 8.230 nan 0.000 0.431 209 V N 0.215 120.175 119.914 0.077 0.000 3.051 209 V HA 0.283 4.403 4.120 -0.000 0.000 0.306 209 V C -2.287 173.824 176.094 0.027 0.000 1.083 209 V CA -1.827 60.494 62.300 0.036 0.000 1.104 209 V CB -0.253 31.586 31.823 0.027 0.000 1.027 209 V HN 0.566 nan 8.190 nan 0.000 0.483 210 P HA 0.203 nan 4.420 nan 0.000 0.258 210 P C 0.965 178.276 177.300 0.018 0.000 1.172 210 P CA 2.025 65.124 63.100 -0.001 0.000 0.762 210 P CB 0.261 31.958 31.700 -0.006 0.000 0.764 211 G N 2.262 111.077 108.800 0.024 0.000 2.176 211 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.253 211 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.253 211 G C 0.638 175.580 174.900 0.070 0.000 0.979 211 G CA -0.222 44.905 45.100 0.046 0.000 0.641 211 G HN 0.879 nan 8.290 nan 0.000 0.530 212 G N -0.303 108.545 108.800 0.080 0.000 2.544 212 G HA2 0.520 4.479 3.960 -0.000 0.000 0.242 212 G HA3 0.520 4.479 3.960 -0.000 0.000 0.242 212 G C 0.060 175.038 174.900 0.130 0.000 1.247 212 G CA -0.206 44.958 45.100 0.106 0.000 0.840 212 G HN 0.481 nan 8.290 nan 0.000 0.578 213 R N -0.101 120.455 120.500 0.093 0.000 2.407 213 R HA 0.604 4.944 4.340 -0.000 0.000 0.303 213 R C 0.080 176.375 176.300 -0.008 0.000 0.981 213 R CA -0.169 55.956 56.100 0.042 0.000 0.905 213 R CB 1.876 32.154 30.300 -0.037 0.000 1.099 213 R HN 0.655 nan 8.270 nan 0.000 0.459 214 A N 3.992 126.785 122.820 -0.045 0.000 2.287 214 A HA 0.565 4.885 4.320 -0.000 0.000 0.317 214 A C -0.902 176.537 177.584 -0.242 0.000 1.220 214 A CA -0.680 51.235 52.037 -0.203 0.000 0.835 214 A CB 0.434 19.216 19.000 -0.364 0.000 1.180 214 A HN 0.612 nan 8.150 nan 0.000 0.500 215 L N 4.011 125.072 121.223 -0.269 0.000 2.318 215 L HA 0.455 4.795 4.340 -0.000 0.000 0.277 215 L C -1.020 175.707 176.870 -0.238 0.000 1.008 215 L CA -0.152 54.541 54.840 -0.244 0.000 0.846 215 L CB 0.920 42.859 42.059 -0.199 0.000 1.220 215 L HN 0.563 nan 8.230 nan 0.000 0.423 216 L N 2.933 124.005 121.223 -0.251 0.000 2.325 216 L HA 0.670 5.010 4.340 -0.000 0.000 0.281 216 L C 0.102 176.879 176.870 -0.155 0.000 1.004 216 L CA -0.061 54.552 54.840 -0.379 0.000 0.823 216 L CB 1.978 43.597 42.059 -0.733 0.000 1.236 216 L HN 0.522 nan 8.230 nan 0.000 0.415 217 T N 0.665 115.240 114.554 0.035 0.000 2.645 217 T HA 0.653 5.003 4.350 -0.000 0.000 0.273 217 T C 0.752 175.603 174.700 0.251 0.000 0.960 217 T CA 0.384 62.560 62.100 0.126 0.000 1.051 217 T CB 1.539 70.436 68.868 0.049 0.000 1.366 217 T HN 0.871 nan 8.240 nan 0.000 0.536 218 G N 0.721 109.614 108.800 0.155 0.000 2.162 218 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.260 218 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.260 218 G C 0.099 175.270 174.900 0.453 0.000 0.976 218 G CA 0.409 45.602 45.100 0.155 0.000 0.655 218 G HN 0.762 nan 8.290 nan 0.000 0.533 219 I N 1.498 122.341 120.570 0.455 0.000 2.337 219 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 219 I C 1.160 177.497 176.117 0.366 0.000 1.046 219 I CA -0.669 60.862 61.300 0.385 0.000 1.324 219 I CB 0.862 39.026 38.000 0.273 0.000 1.409 219 I HN -0.001 nan 8.210 nan 0.000 0.494 220 L N 7.034 128.365 121.223 0.180 0.000 2.499 220 L HA 0.035 4.375 4.340 -0.000 0.000 0.273 220 L C 1.735 178.583 176.870 -0.037 0.000 1.195 220 L CA 0.091 54.862 54.840 -0.114 0.000 0.882 220 L CB 0.277 42.225 42.059 -0.186 0.000 1.133 220 L HN 0.651 nan 8.230 nan 0.000 0.483 221 K N 2.013 122.360 120.400 -0.088 0.000 2.097 221 K HA -0.262 4.058 4.320 -0.000 0.000 0.214 221 K C 1.048 177.638 176.600 -0.016 0.000 1.052 221 K CA 2.668 58.934 56.287 -0.035 0.000 0.932 221 K CB 0.052 32.513 32.500 -0.065 0.000 0.716 221 K HN 0.729 nan 8.250 nan 0.000 0.455 222 D N -0.977 119.400 120.400 -0.038 0.000 2.317 222 D HA -0.043 4.597 4.640 -0.000 0.000 0.211 222 D C 1.312 177.615 176.300 0.005 0.000 0.966 222 D CA 0.524 54.513 54.000 -0.018 0.000 0.876 222 D CB 0.239 41.020 40.800 -0.032 0.000 0.927 222 D HN 0.124 nan 8.370 nan 0.000 0.519 223 R N 0.467 120.979 120.500 0.019 0.000 2.317 223 R HA 0.316 4.656 4.340 -0.000 0.000 0.208 223 R C 1.764 178.105 176.300 0.068 0.000 0.914 223 R CA 0.295 56.424 56.100 0.047 0.000 1.060 223 R CB 0.095 30.436 30.300 0.068 0.000 1.015 223 R HN 0.135 nan 8.270 nan 0.000 0.498 224 A N 2.684 125.543 122.820 0.065 0.000 1.908 224 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 224 A C -0.514 177.115 177.584 0.075 0.000 1.181 224 A CA 1.099 53.184 52.037 0.081 0.000 0.627 224 A CB -1.216 17.828 19.000 0.073 0.000 0.818 224 A HN 0.124 nan 8.150 nan 0.000 0.445 225 P HA -0.161 nan 4.420 nan 0.000 0.217 225 P C 1.249 178.577 177.300 0.047 0.000 1.148 225 P CA 0.771 63.901 63.100 0.049 0.000 0.828 225 P CB -0.071 31.651 31.700 0.036 0.000 0.783 226 L N -1.254 119.998 121.223 0.048 0.000 2.046 226 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 226 L C 2.386 179.278 176.870 0.038 0.000 1.077 226 L CA 1.728 56.593 54.840 0.041 0.000 0.747 226 L CB -1.576 40.513 42.059 0.050 0.000 0.896 226 L HN -0.099 nan 8.230 nan 0.000 0.432 227 V N -0.732 119.217 119.914 0.059 0.000 2.283 227 V HA -0.202 3.918 4.120 -0.000 0.000 0.243 227 V C 2.587 178.683 176.094 0.004 0.000 1.039 227 V CA 1.265 63.591 62.300 0.043 0.000 1.016 227 V CB -0.601 31.279 31.823 0.095 0.000 0.650 227 V HN 0.377 nan 8.190 nan 0.000 0.449 228 R N 0.204 120.752 120.500 0.080 0.000 2.113 228 R HA -0.275 4.065 4.340 -0.000 0.000 0.244 228 R C 2.322 178.644 176.300 0.037 0.000 1.142 228 R CA 2.127 58.295 56.100 0.114 0.000 0.953 228 R CB -0.421 29.957 30.300 0.129 0.000 0.860 228 R HN 0.494 nan 8.270 nan 0.000 0.438 229 E N 0.434 120.650 120.200 0.027 0.000 2.072 229 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 229 E C 1.900 178.495 176.600 -0.008 0.000 0.985 229 E CA 1.378 57.787 56.400 0.016 0.000 0.801 229 E CB -0.074 29.637 29.700 0.019 0.000 0.750 229 E HN 0.381 nan 8.360 nan 0.000 0.452 230 A N 0.045 122.847 122.820 -0.030 0.000 1.897 230 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 230 A C 2.054 179.594 177.584 -0.072 0.000 1.181 230 A CA 1.400 53.409 52.037 -0.047 0.000 0.620 230 A CB -0.323 18.642 19.000 -0.057 0.000 0.821 230 A HN 0.206 nan 8.150 nan 0.000 0.443 231 M N -0.308 119.178 119.600 -0.191 0.000 2.175 231 M HA -0.031 4.449 4.480 -0.000 0.000 0.264 231 M C 2.488 178.761 176.300 -0.045 0.000 1.063 231 M CA 1.383 56.491 55.300 -0.321 0.000 1.119 231 M CB -1.556 30.338 32.600 -1.175 0.000 1.377 231 M HN 0.477 nan 8.290 nan 0.000 0.415 232 A N 0.343 123.148 122.820 -0.024 0.000 1.877 232 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 232 A C 2.396 180.012 177.584 0.053 0.000 1.186 232 A CA 2.027 54.099 52.037 0.058 0.000 0.620 232 A CB -1.484 17.551 19.000 0.060 0.000 0.822 232 A HN 0.511 nan 8.150 nan 0.000 0.443 233 G N -1.091 107.729 108.800 0.032 0.000 2.471 233 G HA2 0.136 4.095 3.960 -0.000 0.000 0.219 233 G HA3 0.136 4.095 3.960 -0.000 0.000 0.219 233 G C 1.299 176.218 174.900 0.032 0.000 1.125 233 G CA 1.049 46.165 45.100 0.025 0.000 0.775 233 G HN 0.860 nan 8.290 nan 0.000 0.548 234 A N -0.457 122.406 122.820 0.072 0.000 2.275 234 A HA 0.503 4.823 4.320 -0.000 0.000 0.212 234 A C 1.857 179.443 177.584 0.003 0.000 1.201 234 A CA 1.116 53.207 52.037 0.091 0.000 0.843 234 A CB -0.313 18.826 19.000 0.232 0.000 0.873 234 A HN 1.478 nan 8.150 nan 0.000 0.492 235 G N -1.651 107.154 108.800 0.009 0.000 2.132 235 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.234 235 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.234 235 G C -0.070 174.762 174.900 -0.114 0.000 0.989 235 G CA -0.022 45.037 45.100 -0.068 0.000 0.676 235 G HN 0.303 nan 8.290 nan 0.000 0.522 236 F N 0.540 120.491 119.950 0.000 0.000 2.399 236 F HA 0.524 5.051 4.527 -0.000 0.000 0.342 236 F C 1.228 177.098 175.800 0.117 0.000 1.106 236 F CA -0.412 57.615 58.000 0.044 0.000 1.196 236 F CB 0.831 39.809 39.000 -0.038 0.000 1.163 236 F HN 0.062 nan 8.300 nan 0.000 0.547 237 R N 4.378 125.079 120.500 0.336 0.000 2.221 237 R HA 0.328 4.668 4.340 -0.000 0.000 0.327 237 R C -2.688 173.812 176.300 0.333 0.000 1.033 237 R CA -1.756 54.501 56.100 0.261 0.000 0.887 237 R CB 0.730 31.121 30.300 0.152 0.000 1.057 237 R HN 0.223 nan 8.270 nan 0.000 0.455 238 P HA -0.017 nan 4.420 nan 0.000 0.266 238 P C -0.384 176.891 177.300 -0.041 0.000 1.215 238 P CA 0.344 63.456 63.100 0.020 0.000 0.763 238 P CB 0.658 32.386 31.700 0.047 0.000 0.806 239 L N 2.221 123.360 121.223 -0.140 0.000 2.721 239 L HA 0.353 4.693 4.340 -0.000 0.000 0.154 239 L C 1.497 178.307 176.870 -0.100 0.000 1.831 239 L CA -0.663 54.141 54.840 -0.060 0.000 2.816 239 L CB -0.404 41.659 42.059 0.006 0.000 3.008 239 L HN 0.327 nan 8.230 nan 0.000 0.696 240 E N 0.829 121.000 120.200 -0.049 0.000 2.385 240 E HA 0.228 4.578 4.350 -0.000 0.000 0.254 240 E C -1.108 175.429 176.600 -0.106 0.000 1.228 240 E CA -0.293 56.079 56.400 -0.047 0.000 0.956 240 E CB 0.939 30.645 29.700 0.010 0.000 1.116 240 E HN 0.414 nan 8.360 nan 0.000 0.507 241 E N -0.817 119.346 120.200 -0.060 0.000 2.266 241 E HA 0.656 5.006 4.350 -0.000 0.000 0.268 241 E C -1.238 175.357 176.600 -0.009 0.000 0.879 241 E CA -1.214 55.156 56.400 -0.051 0.000 0.762 241 E CB 2.143 31.822 29.700 -0.035 0.000 1.199 241 E HN 0.632 nan 8.360 nan 0.000 0.422 242 A N 1.280 124.105 122.820 0.008 0.000 2.414 242 A HA 0.835 5.155 4.320 -0.000 0.000 0.306 242 A C -1.324 176.293 177.584 0.054 0.000 1.054 242 A CA -0.520 51.535 52.037 0.030 0.000 0.724 242 A CB 1.772 20.793 19.000 0.035 0.000 1.267 242 A HN 0.591 nan 8.150 nan 0.000 0.418 243 A N 1.064 123.920 122.820 0.061 0.000 2.386 243 A HA 0.847 5.167 4.320 -0.000 0.000 0.311 243 A C -0.700 176.942 177.584 0.097 0.000 1.068 243 A CA -0.419 51.669 52.037 0.085 0.000 0.743 243 A CB 1.387 20.424 19.000 0.063 0.000 1.258 243 A HN 0.868 nan 8.150 nan 0.000 0.429 244 E N 1.231 121.519 120.200 0.147 0.000 2.307 244 E HA 0.478 4.828 4.350 -0.000 0.000 0.280 244 E C 0.577 177.307 176.600 0.217 0.000 0.900 244 E CA 0.277 56.769 56.400 0.154 0.000 0.790 244 E CB 1.381 31.167 29.700 0.144 0.000 1.261 244 E HN 1.926 nan 8.360 nan 0.000 0.405 245 G N 4.396 113.283 108.800 0.146 0.000 2.622 245 G HA2 -0.423 3.536 3.960 -0.000 0.000 0.307 245 G HA3 -0.423 3.536 3.960 -0.000 0.000 0.307 245 G C 0.604 175.519 174.900 0.025 0.000 1.226 245 G CA 0.767 45.937 45.100 0.117 0.000 0.997 245 G HN 0.733 nan 8.290 nan 0.000 0.551 246 E N -0.218 119.906 120.200 -0.126 0.000 2.463 246 E HA 0.309 4.659 4.350 -0.000 0.000 0.193 246 E C 0.129 176.457 176.600 -0.454 0.000 1.041 246 E CA -0.412 55.780 56.400 -0.346 0.000 0.879 246 E CB 0.101 29.501 29.700 -0.501 0.000 0.997 246 E HN 0.542 nan 8.360 nan 0.000 0.478 247 W N 1.070 122.396 121.300 0.044 0.000 2.639 247 W HA 0.500 5.160 4.660 -0.000 0.000 0.347 247 W C -0.337 176.208 176.519 0.042 0.000 1.067 247 W CA -1.045 56.331 57.345 0.050 0.000 1.218 247 W CB 1.588 31.084 29.460 0.061 0.000 1.393 247 W HN -0.124 nan 8.180 nan 0.000 0.557 248 V N 0.781 120.882 119.914 0.311 0.000 2.962 248 V HA 0.761 4.881 4.120 -0.000 0.000 0.313 248 V C -1.514 174.674 176.094 0.157 0.000 1.099 248 V CA -1.450 60.959 62.300 0.181 0.000 0.971 248 V CB 1.571 33.462 31.823 0.113 0.000 1.028 248 V HN 0.615 nan 8.190 nan 0.000 0.430 249 L N 3.739 125.013 121.223 0.086 0.000 2.329 249 L HA 0.746 5.086 4.340 -0.000 0.000 0.279 249 L C -1.255 175.602 176.870 -0.022 0.000 1.014 249 L CA -0.562 54.297 54.840 0.031 0.000 0.814 249 L CB 1.454 43.523 42.059 0.016 0.000 1.257 249 L HN 0.779 nan 8.230 nan 0.000 0.424 250 L N 5.632 126.815 121.223 -0.068 0.000 2.349 250 L HA 0.725 5.064 4.340 -0.000 0.000 0.278 250 L C -0.252 176.416 176.870 -0.336 0.000 0.996 250 L CA -0.601 54.133 54.840 -0.177 0.000 0.825 250 L CB 1.761 43.808 42.059 -0.021 0.000 1.243 250 L HN 0.742 nan 8.230 nan 0.000 0.412 251 A N 3.613 126.139 122.820 -0.490 0.000 2.305 251 A HA 0.800 5.119 4.320 -0.000 0.000 0.322 251 A C -1.444 175.710 177.584 -0.718 0.000 1.187 251 A CA -0.216 51.528 52.037 -0.488 0.000 0.825 251 A CB 0.522 19.294 19.000 -0.380 0.000 1.164 251 A HN 0.600 nan 8.150 nan 0.000 0.498 252 Y N 0.224 120.422 120.300 -0.171 0.000 2.545 252 Y HA 0.610 5.159 4.550 -0.000 0.000 0.348 252 Y C 0.715 176.662 175.900 0.080 0.000 1.002 252 Y CA -0.492 57.581 58.100 -0.045 0.000 1.039 252 Y CB 2.662 41.004 38.460 -0.196 0.000 1.271 252 Y HN 0.842 nan 8.280 nan 0.000 0.467 253 G N 1.404 110.427 108.800 0.373 0.000 2.461 253 G HA2 0.608 4.568 3.960 -0.000 0.000 0.323 253 G HA3 0.608 4.568 3.960 -0.000 0.000 0.323 253 G C -1.043 174.049 174.900 0.320 0.000 1.229 253 G CA -0.950 44.326 45.100 0.293 0.000 0.941 253 G HN 0.665 nan 8.290 nan 0.000 0.477 254 R N 0.000 120.607 120.500 0.178 0.000 2.786 254 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 254 R CA 0.000 56.019 56.100 -0.136 0.000 0.921 254 R CB 0.000 30.111 30.300 -0.314 0.000 0.687 254 R HN 0.000 nan 8.270 nan 0.000 0.535