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 3bfj_1_N DATA FIRST_RESID 4 DATA SEQUENCE RMFDYLVPNV NFFGPNAISV VGERCQLLGG KKALLVTDKG LRXXKDGAVD DATA SEQUENCE KTLHYLREAG IEVAIFDGVE PNPKDTNVRD GLAVFRREQC DIIVTVGGGS DATA SEQUENCE PHDCGKGIGI AATHEGDLYQ YAGIETLTNP LPPIVAVNTT AGTASEVTRH DATA SEQUENCE CVLTNTETKV KFVIVSWRNL PSVSINDPLL MIGKPAALTA ATGMDALTHA DATA SEQUENCE VEAYISKDAN PVTDAAAMQA IRLIARNLRQ AVALGSNLQA REYMAYASLL DATA SEQUENCE AGMAFNNANL GYVHAMAHQL GGLYDMPHGV ANAVLLPHVA RYNLIANPEK DATA SEQUENCE FADIAELMGE NITGLSTLDA AEKAIAAITR LSMDIGIPQH LRDLGVKETD DATA SEQUENCE FPYMAEMALK DGNAFSNPRK GNEQEIAAIF RQAF 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 175.991 176.300 -0.515 0.000 0.893 4 R CA 0.000 55.913 56.100 -0.313 0.000 0.921 4 R CB 0.000 30.206 30.300 -0.156 0.000 0.687 5 M N 1.336 120.533 119.600 -0.672 0.000 2.602 5 M HA 0.629 5.110 4.480 0.001 0.000 0.312 5 M C -1.680 174.140 176.300 -0.800 0.000 1.181 5 M CA -0.864 54.107 55.300 -0.548 0.000 0.910 5 M CB 2.138 34.598 32.600 -0.234 0.000 1.723 5 M HN 0.061 nan 8.290 nan 0.000 0.459 6 F N 0.678 120.640 119.950 0.020 0.000 2.588 6 F HA 0.410 4.938 4.527 0.001 0.000 0.310 6 F C -0.564 175.259 175.800 0.039 0.000 1.082 6 F CA -0.925 57.097 58.000 0.036 0.000 0.929 6 F CB 1.598 40.629 39.000 0.050 0.000 1.254 6 F HN 0.531 nan 8.300 nan 0.000 0.455 7 D N -0.168 120.368 120.400 0.227 0.000 2.228 7 D HA 0.419 5.059 4.640 0.001 0.000 0.247 7 D C -1.671 174.750 176.300 0.202 0.000 0.995 7 D CA -0.587 53.506 54.000 0.155 0.000 0.903 7 D CB 1.895 42.734 40.800 0.066 0.000 1.205 7 D HN 0.529 nan 8.370 nan 0.000 0.459 8 Y N 1.241 121.556 120.300 0.024 0.000 2.373 8 Y HA 0.350 4.901 4.550 0.001 0.000 0.327 8 Y C -1.602 174.289 175.900 -0.014 0.000 1.036 8 Y CA -0.872 57.228 58.100 0.001 0.000 1.265 8 Y CB 0.856 39.314 38.460 -0.005 0.000 1.108 8 Y HN 0.410 nan 8.280 nan 0.000 0.471 9 L N 6.923 127.999 121.223 -0.245 0.000 2.325 9 L HA 0.877 5.218 4.340 0.001 0.000 0.278 9 L C -0.889 175.812 176.870 -0.282 0.000 1.023 9 L CA -1.355 53.387 54.840 -0.163 0.000 0.811 9 L CB 1.685 43.683 42.059 -0.101 0.000 1.249 9 L HN 0.424 nan 8.230 nan 0.000 0.431 10 V N 3.298 123.138 119.914 -0.124 0.000 3.000 10 V HA 0.453 4.573 4.120 0.001 0.000 0.300 10 V C -2.503 173.572 176.094 -0.031 0.000 1.251 10 V CA -1.476 60.760 62.300 -0.106 0.000 0.972 10 V CB 2.992 34.786 31.823 -0.048 0.000 1.065 10 V HN 0.566 nan 8.190 nan 0.000 0.431 11 P HA 0.165 nan 4.420 nan 0.000 0.264 11 P C 0.532 177.837 177.300 0.009 0.000 1.183 11 P CA 0.417 63.511 63.100 -0.009 0.000 0.763 11 P CB 0.458 32.150 31.700 -0.014 0.000 0.807 12 N N 2.067 120.779 118.700 0.021 0.000 2.049 12 N HA -0.124 4.617 4.740 0.001 0.000 0.198 12 N C 0.015 175.519 175.510 -0.010 0.000 1.030 12 N CA 1.346 54.408 53.050 0.020 0.000 0.870 12 N CB -0.127 38.380 38.487 0.032 0.000 1.045 12 N HN 0.173 nan 8.380 nan 0.000 0.434 13 V N 0.719 120.621 119.914 -0.019 0.000 2.531 13 V HA 0.412 4.533 4.120 0.001 0.000 0.301 13 V C -1.121 174.914 176.094 -0.097 0.000 1.034 13 V CA -0.860 61.389 62.300 -0.084 0.000 0.865 13 V CB 1.712 33.517 31.823 -0.029 0.000 0.995 13 V HN 0.176 nan 8.190 nan 0.000 0.424 14 N N 3.796 122.357 118.700 -0.231 0.000 2.249 14 N HA 0.758 5.498 4.740 0.001 0.000 0.296 14 N C -1.468 173.795 175.510 -0.411 0.000 1.051 14 N CA -0.425 52.548 53.050 -0.130 0.000 0.815 14 N CB 2.126 40.645 38.487 0.055 0.000 1.487 14 N HN 0.473 nan 8.380 nan 0.000 0.475 15 F N 1.888 121.828 119.950 -0.017 0.000 2.520 15 F HA 0.652 5.179 4.527 0.001 0.000 0.322 15 F C -0.604 175.199 175.800 0.005 0.000 1.103 15 F CA -0.833 57.078 58.000 -0.148 0.000 0.926 15 F CB 1.070 40.008 39.000 -0.102 0.000 1.154 15 F HN 0.400 nan 8.300 nan 0.000 0.453 16 F N -0.105 119.978 119.950 0.222 0.000 2.662 16 F HA 0.962 5.489 4.527 0.001 0.000 0.312 16 F C -0.188 175.758 175.800 0.243 0.000 1.113 16 F CA -1.558 56.581 58.000 0.231 0.000 0.951 16 F CB 1.624 40.778 39.000 0.256 0.000 1.344 16 F HN 0.839 nan 8.300 nan 0.000 0.462 17 G N 0.568 109.707 108.800 0.564 0.000 2.539 17 G HA2 0.210 4.171 3.960 0.001 0.000 0.686 17 G HA3 0.210 4.171 3.960 0.001 0.000 0.686 17 G C -3.494 171.525 174.900 0.197 0.000 1.258 17 G CA -1.095 44.239 45.100 0.390 0.000 0.846 17 G HN 0.590 nan 8.290 nan 0.000 0.647 18 P HA 0.160 nan 4.420 nan 0.000 0.262 18 P C 0.610 177.940 177.300 0.050 0.000 1.182 18 P CA 0.805 63.947 63.100 0.069 0.000 0.761 18 P CB 0.553 32.281 31.700 0.047 0.000 0.795 19 N N 1.425 120.145 118.700 0.033 0.000 2.850 19 N HA -0.218 4.522 4.740 0.001 0.000 0.249 19 N C 0.857 176.328 175.510 -0.065 0.000 1.060 19 N CA 1.113 54.161 53.050 -0.003 0.000 0.825 19 N CB -1.670 36.819 38.487 0.003 0.000 1.132 19 N HN 0.464 nan 8.380 nan 0.000 0.564 20 A N -0.443 122.363 122.820 -0.024 0.000 2.216 20 A HA 0.032 4.353 4.320 0.001 0.000 0.214 20 A C 2.080 179.571 177.584 -0.157 0.000 1.160 20 A CA 1.106 53.107 52.037 -0.059 0.000 0.725 20 A CB -0.289 18.755 19.000 0.075 0.000 0.784 20 A HN 0.415 nan 8.150 nan 0.000 0.472 21 I N 0.709 121.192 120.570 -0.145 0.000 2.493 21 I HA -0.182 3.989 4.170 0.001 0.000 0.254 21 I C 2.479 178.289 176.117 -0.511 0.000 1.160 21 I CA 1.735 62.921 61.300 -0.189 0.000 1.445 21 I CB -0.194 37.786 38.000 -0.033 0.000 1.086 21 I HN 0.409 nan 8.210 nan 0.000 0.433 22 S N -0.452 114.811 115.700 -0.728 0.000 2.500 22 S HA -0.092 4.379 4.470 0.001 0.000 0.239 22 S C 1.723 175.898 174.600 -0.710 0.000 0.989 22 S CA 0.924 58.392 58.200 -1.220 0.000 0.951 22 S CB -1.186 61.582 63.200 -0.721 0.000 0.759 22 S HN 0.410 nan 8.310 nan 0.000 0.523 23 V N -0.392 119.195 119.914 -0.545 0.000 3.650 23 V HA 0.164 4.285 4.120 0.001 0.000 0.271 23 V C 2.153 178.049 176.094 -0.329 0.000 1.281 23 V CA 0.384 62.393 62.300 -0.486 0.000 1.120 23 V CB -0.874 30.440 31.823 -0.849 0.000 0.856 23 V HN 0.414 nan 8.190 nan 0.000 0.443 24 V N 0.675 120.441 119.914 -0.247 0.000 2.282 24 V HA -0.099 4.022 4.120 0.001 0.000 0.249 24 V C 2.616 178.676 176.094 -0.055 0.000 1.057 24 V CA 2.632 64.869 62.300 -0.106 0.000 1.032 24 V CB -2.058 29.749 31.823 -0.027 0.000 0.645 24 V HN 0.478 nan 8.190 nan 0.000 0.447 25 G N -0.607 108.173 108.800 -0.034 0.000 2.433 25 G HA2 -0.278 3.682 3.960 0.001 0.000 0.216 25 G HA3 -0.278 3.682 3.960 0.001 0.000 0.216 25 G C 1.567 176.449 174.900 -0.031 0.000 1.186 25 G CA 0.907 46.000 45.100 -0.011 0.000 0.779 25 G HN 0.624 nan 8.290 nan 0.000 0.543 26 E N -0.077 120.087 120.200 -0.059 0.000 2.118 26 E HA -0.151 4.199 4.350 0.001 0.000 0.195 26 E C 2.686 179.260 176.600 -0.043 0.000 0.992 26 E CA 0.572 56.938 56.400 -0.057 0.000 0.804 26 E CB 0.008 29.654 29.700 -0.089 0.000 0.741 26 E HN 0.149 nan 8.360 nan 0.000 0.458 27 R N -0.070 120.394 120.500 -0.060 0.000 2.115 27 R HA -0.056 4.285 4.340 0.001 0.000 0.226 27 R C 2.382 178.689 176.300 0.011 0.000 1.100 27 R CA 0.757 56.849 56.100 -0.014 0.000 0.980 27 R CB -0.892 29.399 30.300 -0.014 0.000 0.875 27 R HN 0.349 nan 8.270 nan 0.000 0.445 28 C N 0.678 119.980 119.300 0.003 0.000 2.446 28 C HA -0.060 4.400 4.460 0.001 0.000 0.277 28 C C 2.659 177.655 174.990 0.010 0.000 1.275 28 C CA 0.500 59.526 59.018 0.014 0.000 1.727 28 C CB -0.679 27.069 27.740 0.014 0.000 2.010 28 C HN 0.515 nan 8.230 nan 0.000 0.486 29 Q N 0.315 120.116 119.800 0.002 0.000 2.112 29 Q HA -0.192 4.149 4.340 0.001 0.000 0.206 29 Q C 2.048 178.052 176.000 0.008 0.000 0.987 29 Q CA 1.473 57.277 55.803 0.002 0.000 0.858 29 Q CB -0.253 28.483 28.738 -0.004 0.000 0.905 29 Q HN 0.674 nan 8.270 nan 0.000 0.420 30 L N -0.145 121.085 121.223 0.013 0.000 2.291 30 L HA -0.124 4.217 4.340 0.001 0.000 0.214 30 L C 1.823 178.707 176.870 0.024 0.000 1.120 30 L CA 0.567 55.419 54.840 0.020 0.000 0.799 30 L CB -0.050 42.026 42.059 0.029 0.000 0.925 30 L HN 0.194 nan 8.230 nan 0.000 0.446 31 L N -0.814 120.424 121.223 0.025 0.000 2.592 31 L HA 0.205 4.546 4.340 0.001 0.000 0.227 31 L C 1.538 178.422 176.870 0.022 0.000 1.127 31 L CA 0.607 55.463 54.840 0.027 0.000 0.884 31 L CB -0.040 42.039 42.059 0.033 0.000 1.065 31 L HN 0.410 nan 8.230 nan 0.000 0.457 32 G N -0.440 108.369 108.800 0.016 0.000 2.195 32 G HA2 -0.232 3.728 3.960 0.001 0.000 0.246 32 G HA3 -0.232 3.728 3.960 0.001 0.000 0.246 32 G C 0.666 175.570 174.900 0.007 0.000 0.984 32 G CA -0.253 44.854 45.100 0.011 0.000 0.633 32 G HN 0.482 nan 8.290 nan 0.000 0.525 33 G N 0.471 109.277 108.800 0.011 0.000 2.298 33 G HA2 0.439 4.400 3.960 0.001 0.000 0.263 33 G HA3 0.439 4.400 3.960 0.001 0.000 0.263 33 G C 0.968 175.864 174.900 -0.007 0.000 1.229 33 G CA 0.547 45.650 45.100 0.006 0.000 0.976 33 G HN 0.286 nan 8.290 nan 0.000 0.459 34 K N 1.911 122.300 120.400 -0.019 0.000 2.128 34 K HA 0.058 4.379 4.320 0.001 0.000 0.202 34 K C 0.943 177.523 176.600 -0.034 0.000 1.050 34 K CA 0.824 57.096 56.287 -0.025 0.000 0.966 34 K CB 0.245 32.727 32.500 -0.030 0.000 0.759 34 K HN 0.507 nan 8.250 nan 0.000 0.454 35 K N 0.556 120.924 120.400 -0.053 0.000 2.426 35 K HA 0.463 4.784 4.320 0.001 0.000 0.254 35 K C -1.603 174.956 176.600 -0.069 0.000 0.936 35 K CA -0.383 55.866 56.287 -0.064 0.000 0.801 35 K CB 2.010 34.456 32.500 -0.090 0.000 1.139 35 K HN 0.029 nan 8.250 nan 0.000 0.424 36 A N 3.655 126.456 122.820 -0.032 0.000 2.303 36 A HA 0.520 4.841 4.320 0.001 0.000 0.317 36 A C -1.278 176.316 177.584 0.015 0.000 1.149 36 A CA -0.743 51.297 52.037 0.004 0.000 0.822 36 A CB 0.818 19.837 19.000 0.031 0.000 1.131 36 A HN 0.657 nan 8.150 nan 0.000 0.493 37 L N 3.057 124.323 121.223 0.072 0.000 2.265 37 L HA 0.431 4.771 4.340 0.001 0.000 0.289 37 L C -0.767 176.192 176.870 0.148 0.000 1.033 37 L CA -0.489 54.428 54.840 0.128 0.000 0.814 37 L CB 1.166 43.372 42.059 0.244 0.000 1.203 37 L HN 0.603 nan 8.230 nan 0.000 0.423 38 L N 7.505 128.808 121.223 0.134 0.000 2.268 38 L HA 0.398 4.739 4.340 0.001 0.000 0.289 38 L C -0.881 176.085 176.870 0.160 0.000 1.064 38 L CA -0.144 54.772 54.840 0.126 0.000 0.824 38 L CB 1.142 43.257 42.059 0.093 0.000 1.202 38 L HN 0.396 nan 8.230 nan 0.000 0.433 39 V N 5.598 125.611 119.914 0.164 0.000 2.350 39 V HA 0.597 4.718 4.120 0.001 0.000 0.276 39 V C 0.420 176.563 176.094 0.082 0.000 1.028 39 V CA -0.153 62.261 62.300 0.190 0.000 0.860 39 V CB 1.274 33.228 31.823 0.220 0.000 0.990 39 V HN 0.941 nan 8.190 nan 0.000 0.453 40 T N 2.612 117.170 114.554 0.006 0.000 2.645 40 T HA 0.321 4.672 4.350 0.001 0.000 0.300 40 T C -1.629 173.006 174.700 -0.108 0.000 1.210 40 T CA -0.534 61.540 62.100 -0.044 0.000 1.034 40 T CB 2.004 70.862 68.868 -0.016 0.000 1.537 40 T HN 0.608 nan 8.240 nan 0.000 0.492 41 D N 0.996 121.344 120.400 -0.087 0.000 2.253 41 D HA 0.373 5.013 4.640 0.001 0.000 0.249 41 D C 0.882 177.129 176.300 -0.089 0.000 1.049 41 D CA -0.507 53.437 54.000 -0.094 0.000 0.929 41 D CB 1.673 42.436 40.800 -0.063 0.000 1.176 41 D HN 0.359 nan 8.370 nan 0.000 0.437 42 K N 1.119 121.464 120.400 -0.093 0.000 2.057 42 K HA -0.089 4.231 4.320 0.001 0.000 0.207 42 K C 1.776 178.350 176.600 -0.044 0.000 1.049 42 K CA 0.876 57.120 56.287 -0.071 0.000 0.931 42 K CB -0.428 32.033 32.500 -0.066 0.000 0.714 42 K HN 0.535 nan 8.250 nan 0.000 0.440 43 G N 0.953 109.731 108.800 -0.036 0.000 2.443 43 G HA2 -0.174 3.787 3.960 0.001 0.000 0.219 43 G HA3 -0.174 3.787 3.960 0.001 0.000 0.219 43 G C 1.553 176.443 174.900 -0.017 0.000 1.131 43 G CA 0.326 45.413 45.100 -0.022 0.000 0.775 43 G HN 0.150 nan 8.290 nan 0.000 0.547 44 L N -0.523 120.687 121.223 -0.022 0.000 2.354 44 L HA 0.267 4.608 4.340 0.001 0.000 0.212 44 L C 1.832 178.697 176.870 -0.009 0.000 1.091 44 L CA -0.460 54.373 54.840 -0.012 0.000 0.828 44 L CB -0.101 41.951 42.059 -0.012 0.000 0.973 44 L HN 0.085 nan 8.230 nan 0.000 0.461 49 D N -0.541 119.858 120.400 -0.001 0.000 2.373 49 D HA 0.243 4.884 4.640 0.001 0.000 0.265 49 D C 0.592 176.891 176.300 -0.000 0.000 1.316 49 D CA 0.866 54.866 54.000 -0.000 0.000 1.005 49 D CB -0.305 40.496 40.800 0.003 0.000 0.936 49 D HN 0.546 nan 8.370 nan 0.000 0.299 50 G N -1.150 107.655 108.800 0.008 0.000 3.876 50 G HA2 0.519 4.480 3.960 0.001 0.000 0.249 50 G HA3 0.519 4.480 3.960 0.001 0.000 0.249 50 G C -0.364 174.555 174.900 0.030 0.000 3.894 50 G CA 0.305 45.413 45.100 0.012 0.000 0.527 50 G HN 0.625 nan 8.290 nan 0.000 0.244 51 A N -0.100 122.743 122.820 0.039 0.000 1.535 51 A HA 0.484 4.804 4.320 0.001 0.000 0.215 51 A C 1.929 179.551 177.584 0.065 0.000 1.813 51 A CA 1.446 53.515 52.037 0.053 0.000 1.373 51 A CB -0.356 18.669 19.000 0.041 0.000 1.304 51 A HN 1.556 nan 8.150 nan 0.000 0.391 52 V N -1.524 118.421 119.914 0.051 0.000 3.235 52 V HA 0.083 4.204 4.120 0.001 0.000 0.259 52 V C 1.213 177.344 176.094 0.061 0.000 1.133 52 V CA 2.055 64.389 62.300 0.056 0.000 1.128 52 V CB -0.424 31.421 31.823 0.038 0.000 0.757 52 V HN 0.269 nan 8.190 nan 0.000 0.469 53 D N 0.942 121.373 120.400 0.051 0.000 2.183 53 D HA -0.041 4.599 4.640 0.001 0.000 0.203 53 D C 2.145 178.492 176.300 0.078 0.000 0.969 53 D CA 0.973 55.002 54.000 0.047 0.000 0.842 53 D CB -0.051 40.760 40.800 0.017 0.000 0.957 53 D HN 0.424 nan 8.370 nan 0.000 0.484 54 K N 0.147 120.610 120.400 0.105 0.000 2.001 54 K HA -0.084 4.237 4.320 0.001 0.000 0.208 54 K C 2.174 178.944 176.600 0.284 0.000 1.048 54 K CA 1.207 57.608 56.287 0.190 0.000 0.932 54 K CB -0.991 31.644 32.500 0.225 0.000 0.715 54 K HN 0.174 nan 8.250 nan 0.000 0.437 55 T N 1.143 115.824 114.554 0.210 0.000 2.881 55 T HA -0.109 4.242 4.350 0.001 0.000 0.270 55 T C 1.883 176.664 174.700 0.135 0.000 1.068 55 T CA 0.665 62.875 62.100 0.183 0.000 1.131 55 T CB -0.046 68.895 68.868 0.122 0.000 0.871 55 T HN 0.017 nan 8.240 nan 0.000 0.479 56 L N 0.336 121.624 121.223 0.109 0.000 2.240 56 L HA 0.161 4.502 4.340 0.001 0.000 0.211 56 L C 2.251 179.160 176.870 0.066 0.000 1.106 56 L CA 1.761 56.645 54.840 0.074 0.000 0.793 56 L CB -0.555 41.540 42.059 0.061 0.000 0.927 56 L HN 0.510 nan 8.230 nan 0.000 0.446 57 H N -1.939 117.110 119.070 -0.035 0.000 2.317 57 H HA -0.146 4.410 4.556 0.001 0.000 0.304 57 H C 1.849 177.084 175.328 -0.155 0.000 1.067 57 H CA 2.028 57.989 56.048 -0.145 0.000 1.352 57 H CB -0.416 29.177 29.762 -0.281 0.000 1.398 57 H HN 0.365 nan 8.280 nan 0.000 0.510 58 Y N -0.754 119.387 120.300 -0.266 0.000 2.421 58 Y HA -0.066 4.485 4.550 0.001 0.000 0.292 58 Y C 2.171 177.956 175.900 -0.190 0.000 1.136 58 Y CA 0.398 58.314 58.100 -0.306 0.000 1.255 58 Y CB 0.021 38.400 38.460 -0.133 0.000 0.991 58 Y HN 0.238 nan 8.280 nan 0.000 0.552 59 L N -0.239 120.994 121.223 0.017 0.000 2.179 59 L HA -0.070 4.271 4.340 0.001 0.000 0.208 59 L C 2.379 179.229 176.870 -0.034 0.000 1.096 59 L CA 1.486 56.328 54.840 0.005 0.000 0.779 59 L CB -0.456 41.619 42.059 0.028 0.000 0.922 59 L HN 0.055 nan 8.230 nan 0.000 0.443 60 R N -0.982 119.476 120.500 -0.070 0.000 2.119 60 R HA -0.086 4.255 4.340 0.001 0.000 0.222 60 R C 1.996 178.238 176.300 -0.096 0.000 1.088 60 R CA 0.834 56.894 56.100 -0.066 0.000 0.984 60 R CB 0.134 30.407 30.300 -0.046 0.000 0.884 60 R HN 0.384 nan 8.270 nan 0.000 0.447 61 E N -0.553 119.538 120.200 -0.180 0.000 2.299 61 E HA -0.034 4.317 4.350 0.001 0.000 0.193 61 E C 1.082 177.635 176.600 -0.078 0.000 0.998 61 E CA 0.543 56.848 56.400 -0.159 0.000 0.851 61 E CB 0.254 29.780 29.700 -0.291 0.000 0.795 61 E HN 0.327 nan 8.360 nan 0.000 0.492 62 A N -0.193 122.591 122.820 -0.059 0.000 2.251 62 A HA 0.278 4.598 4.320 0.001 0.000 0.209 62 A C 1.501 179.070 177.584 -0.025 0.000 1.187 62 A CA 0.757 52.776 52.037 -0.030 0.000 0.823 62 A CB -0.052 18.937 19.000 -0.019 0.000 0.846 62 A HN 0.337 nan 8.150 nan 0.000 0.486 63 G N -0.942 107.840 108.800 -0.030 0.000 2.132 63 G HA2 -0.192 3.769 3.960 0.001 0.000 0.228 63 G HA3 -0.192 3.769 3.960 0.001 0.000 0.228 63 G C -0.143 174.746 174.900 -0.018 0.000 1.000 63 G CA 0.194 45.281 45.100 -0.022 0.000 0.693 63 G HN 0.375 nan 8.290 nan 0.000 0.515 64 I N 1.711 122.270 120.570 -0.017 0.000 2.342 64 I HA 0.361 4.532 4.170 0.001 0.000 0.291 64 I C 0.582 176.691 176.117 -0.013 0.000 1.010 64 I CA -0.776 60.516 61.300 -0.013 0.000 1.308 64 I CB 1.054 39.050 38.000 -0.006 0.000 1.400 64 I HN 0.037 nan 8.210 nan 0.000 0.488 65 E N 4.894 125.085 120.200 -0.016 0.000 2.390 65 E HA 0.347 4.697 4.350 0.001 0.000 0.261 65 E C -0.639 175.954 176.600 -0.012 0.000 1.076 65 E CA -0.310 56.080 56.400 -0.016 0.000 0.905 65 E CB 2.008 31.694 29.700 -0.023 0.000 0.984 65 E HN 0.323 nan 8.360 nan 0.000 0.427 66 V N 0.257 120.169 119.914 -0.004 0.000 2.733 66 V HA 0.595 4.716 4.120 0.001 0.000 0.306 66 V C -1.455 174.648 176.094 0.015 0.000 1.084 66 V CA -0.538 61.767 62.300 0.009 0.000 0.905 66 V CB 1.726 33.563 31.823 0.023 0.000 1.010 66 V HN 0.729 nan 8.190 nan 0.000 0.424 67 A N 7.160 129.993 122.820 0.021 0.000 2.287 67 A HA 0.839 5.159 4.320 0.001 0.000 0.317 67 A C -0.531 177.103 177.584 0.084 0.000 1.220 67 A CA -0.568 51.493 52.037 0.041 0.000 0.835 67 A CB 0.815 19.829 19.000 0.024 0.000 1.180 67 A HN 1.455 nan 8.150 nan 0.000 0.500 68 I N -0.339 120.287 120.570 0.093 0.000 2.396 68 I HA 0.732 4.903 4.170 0.001 0.000 0.292 68 I C -0.720 175.515 176.117 0.196 0.000 0.999 68 I CA -0.470 60.901 61.300 0.117 0.000 1.310 68 I CB 0.936 38.977 38.000 0.068 0.000 1.404 68 I HN 0.436 nan 8.210 nan 0.000 0.496 69 F N 6.689 126.663 119.950 0.041 0.000 2.513 69 F HA 0.462 4.990 4.527 0.001 0.000 0.358 69 F C -0.405 175.414 175.800 0.031 0.000 1.118 69 F CA -1.178 56.846 58.000 0.039 0.000 1.037 69 F CB 0.936 39.968 39.000 0.053 0.000 1.276 69 F HN 0.710 nan 8.300 nan 0.000 0.446 70 D N 1.775 121.904 120.400 -0.451 0.000 2.427 70 D HA 0.188 4.829 4.640 0.001 0.000 0.224 70 D C 1.395 177.337 176.300 -0.597 0.000 1.157 70 D CA -0.026 53.720 54.000 -0.424 0.000 0.828 70 D CB 0.262 40.950 40.800 -0.187 0.000 0.974 70 D HN 0.581 nan 8.370 nan 0.000 0.498 71 G N 0.195 108.255 108.800 -1.233 0.000 3.379 71 G HA2 0.232 4.193 3.960 0.001 0.000 0.253 71 G HA3 0.232 4.193 3.960 0.001 0.000 0.253 71 G C 0.063 174.664 174.900 -0.498 0.000 1.262 71 G CA -0.378 44.247 45.100 -0.792 0.000 0.959 71 G HN 0.207 nan 8.290 nan 0.000 0.524 72 V N 0.986 120.644 119.914 -0.427 0.000 2.432 72 V HA 0.193 4.314 4.120 0.001 0.000 0.271 72 V C 0.245 176.290 176.094 -0.082 0.000 1.046 72 V CA -0.719 61.497 62.300 -0.140 0.000 0.945 72 V CB 1.238 33.006 31.823 -0.092 0.000 0.992 72 V HN 0.354 nan 8.190 nan 0.000 0.471 73 E N 7.051 127.236 120.200 -0.024 0.000 2.349 73 E HA 0.210 4.561 4.350 0.001 0.000 0.265 73 E C -1.416 175.179 176.600 -0.009 0.000 1.064 73 E CA -1.708 54.684 56.400 -0.013 0.000 0.886 73 E CB 1.135 30.841 29.700 0.009 0.000 1.036 73 E HN 0.411 nan 8.360 nan 0.000 0.413 74 P HA -0.218 nan 4.420 nan 0.000 0.218 74 P C -0.442 176.863 177.300 0.008 0.000 1.152 74 P CA 1.521 64.623 63.100 0.003 0.000 0.857 74 P CB 0.072 31.780 31.700 0.014 0.000 0.787 75 N N 0.891 119.598 118.700 0.012 0.000 2.699 75 N HA 0.206 4.947 4.740 0.001 0.000 0.232 75 N C -2.583 172.929 175.510 0.004 0.000 1.027 75 N CA -1.845 51.209 53.050 0.007 0.000 0.920 75 N CB 0.613 39.110 38.487 0.017 0.000 1.148 75 N HN 0.113 nan 8.380 nan 0.000 0.509 76 P HA -0.096 nan 4.420 nan 0.000 0.258 76 P C -0.610 176.695 177.300 0.010 0.000 1.172 76 P CA 0.536 63.641 63.100 0.008 0.000 0.762 76 P CB 0.676 32.373 31.700 -0.005 0.000 0.764 77 K N 2.964 123.392 120.400 0.048 0.000 2.123 77 K HA 0.125 4.446 4.320 0.001 0.000 0.248 77 K C 1.260 177.919 176.600 0.097 0.000 0.969 77 K CA -0.528 55.800 56.287 0.067 0.000 0.882 77 K CB 1.088 33.630 32.500 0.071 0.000 1.080 77 K HN 0.379 nan 8.250 nan 0.000 0.441 78 D N 0.125 120.609 120.400 0.139 0.000 2.178 78 D HA -0.169 4.472 4.640 0.001 0.000 0.201 78 D C 1.180 177.547 176.300 0.112 0.000 0.980 78 D CA 1.728 55.831 54.000 0.172 0.000 0.842 78 D CB -0.525 40.409 40.800 0.223 0.000 0.948 78 D HN 0.636 nan 8.370 nan 0.000 0.472 79 T N -2.109 112.501 114.554 0.094 0.000 2.985 79 T HA -0.049 4.301 4.350 0.001 0.000 0.266 79 T C 1.672 176.437 174.700 0.108 0.000 1.076 79 T CA 0.952 63.100 62.100 0.082 0.000 1.135 79 T CB -0.693 68.218 68.868 0.070 0.000 0.890 79 T HN 0.264 nan 8.240 nan 0.000 0.480 80 N N 1.091 119.875 118.700 0.140 0.000 2.188 80 N HA -0.029 4.711 4.740 0.001 0.000 0.184 80 N C 1.770 177.379 175.510 0.165 0.000 1.018 80 N CA 0.926 54.120 53.050 0.240 0.000 0.858 80 N CB -0.287 38.334 38.487 0.223 0.000 0.989 80 N HN 0.156 nan 8.380 nan 0.000 0.426 81 V N 1.358 121.322 119.914 0.084 0.000 2.307 81 V HA -0.198 3.923 4.120 0.001 0.000 0.245 81 V C 2.325 178.378 176.094 -0.067 0.000 1.045 81 V CA 1.543 63.846 62.300 0.004 0.000 1.024 81 V CB -0.489 31.358 31.823 0.040 0.000 0.651 81 V HN 0.247 nan 8.190 nan 0.000 0.449 82 R N -0.088 120.402 120.500 -0.017 0.000 2.080 82 R HA -0.200 4.140 4.340 0.001 0.000 0.236 82 R C 2.141 178.390 176.300 -0.084 0.000 1.137 82 R CA 2.174 58.256 56.100 -0.031 0.000 0.943 82 R CB -0.460 29.846 30.300 0.010 0.000 0.846 82 R HN 0.526 nan 8.270 nan 0.000 0.431 83 D N -0.993 119.361 120.400 -0.076 0.000 2.144 83 D HA -0.096 4.545 4.640 0.001 0.000 0.199 83 D C 1.736 177.783 176.300 -0.422 0.000 0.984 83 D CA 1.457 55.397 54.000 -0.101 0.000 0.834 83 D CB -0.478 40.382 40.800 0.099 0.000 0.955 83 D HN 0.419 nan 8.370 nan 0.000 0.465 84 G N 0.453 108.698 108.800 -0.924 0.000 2.448 84 G HA2 -0.165 3.796 3.960 0.001 0.000 0.218 84 G HA3 -0.165 3.796 3.960 0.001 0.000 0.218 84 G C 1.544 176.144 174.900 -0.499 0.000 1.135 84 G CA 0.345 44.588 45.100 -1.428 0.000 0.784 84 G HN 0.241 nan 8.290 nan 0.000 0.543 85 L N 1.391 122.442 121.223 -0.287 0.000 2.056 85 L HA 0.225 4.566 4.340 0.001 0.000 0.207 85 L C 2.961 179.821 176.870 -0.016 0.000 1.078 85 L CA 2.034 56.805 54.840 -0.115 0.000 0.749 85 L CB -0.706 41.290 42.059 -0.105 0.000 0.901 85 L HN 0.194 nan 8.230 nan 0.000 0.433 86 A N -0.856 121.928 122.820 -0.060 0.000 1.908 86 A HA -0.167 4.154 4.320 0.001 0.000 0.218 86 A C 2.235 179.819 177.584 -0.000 0.000 1.181 86 A CA 2.175 54.202 52.037 -0.017 0.000 0.627 86 A CB -1.165 17.821 19.000 -0.024 0.000 0.818 86 A HN 0.332 nan 8.150 nan 0.000 0.445 87 V N -1.457 118.436 119.914 -0.035 0.000 2.358 87 V HA -0.226 3.894 4.120 0.001 0.000 0.246 87 V C 2.254 178.370 176.094 0.036 0.000 1.047 87 V CA 1.973 64.273 62.300 -0.001 0.000 1.035 87 V CB -1.006 30.817 31.823 -0.001 0.000 0.658 87 V HN 0.611 nan 8.190 nan 0.000 0.452 88 F N 1.020 120.917 119.950 -0.088 0.000 2.126 88 F HA -0.185 4.342 4.527 0.001 0.000 0.299 88 F C 2.621 178.397 175.800 -0.041 0.000 1.096 88 F CA 1.835 59.800 58.000 -0.057 0.000 1.255 88 F CB -0.107 38.851 39.000 -0.070 0.000 0.997 88 F HN -0.049 nan 8.300 nan 0.000 0.479 89 R N -0.465 120.143 120.500 0.180 0.000 2.062 89 R HA -0.080 4.261 4.340 0.001 0.000 0.229 89 R C 2.476 178.776 176.300 0.001 0.000 1.128 89 R CA 1.326 57.485 56.100 0.098 0.000 0.960 89 R CB -0.431 29.929 30.300 0.099 0.000 0.855 89 R HN 0.233 nan 8.270 nan 0.000 0.432 90 R N 0.913 121.413 120.500 -0.000 0.000 2.073 90 R HA -0.081 4.260 4.340 0.001 0.000 0.229 90 R C 1.463 177.742 176.300 -0.035 0.000 1.120 90 R CA 1.192 57.285 56.100 -0.012 0.000 0.967 90 R CB 0.184 30.484 30.300 -0.000 0.000 0.862 90 R HN 0.135 nan 8.270 nan 0.000 0.436 91 E N 0.760 120.928 120.200 -0.053 0.000 2.482 91 E HA -0.086 4.265 4.350 0.001 0.000 0.196 91 E C -0.217 176.308 176.600 -0.125 0.000 1.047 91 E CA 0.235 56.592 56.400 -0.072 0.000 0.869 91 E CB 0.183 29.847 29.700 -0.059 0.000 0.836 91 E HN 0.338 nan 8.360 nan 0.000 0.520 92 Q N -0.137 119.562 119.800 -0.168 0.000 2.457 92 Q HA -0.175 4.166 4.340 0.001 0.000 0.333 92 Q C -0.810 174.990 176.000 -0.334 0.000 1.448 92 Q CA 0.085 55.757 55.803 -0.219 0.000 0.891 92 Q CB -2.019 26.646 28.738 -0.123 0.000 1.142 92 Q HN 0.277 nan 8.270 nan 0.000 0.375 93 C N 0.070 118.985 119.300 -0.642 0.000 2.459 93 C HA 0.224 4.685 4.460 0.001 0.000 0.374 93 C C 1.655 176.213 174.990 -0.719 0.000 1.241 93 C CA -0.510 58.091 59.018 -0.695 0.000 2.352 93 C CB 1.159 28.438 27.740 -0.770 0.000 2.490 93 C HN 0.649 nan 8.230 nan 0.000 0.583 94 D N -0.313 119.904 120.400 -0.305 0.000 2.422 94 D HA 0.287 4.928 4.640 0.001 0.000 0.218 94 D C 0.000 176.338 176.300 0.063 0.000 1.047 94 D CA 0.495 54.440 54.000 -0.091 0.000 0.885 94 D CB 0.503 41.269 40.800 -0.056 0.000 1.035 94 D HN 0.605 nan 8.370 nan 0.000 0.502 95 I N 0.507 121.122 120.570 0.075 0.000 2.894 95 I HA 0.340 4.511 4.170 0.001 0.000 0.302 95 I C -1.438 174.797 176.117 0.197 0.000 1.188 95 I CA -0.900 60.484 61.300 0.140 0.000 1.014 95 I CB 2.667 40.710 38.000 0.071 0.000 1.242 95 I HN -0.302 nan 8.210 nan 0.000 0.430 96 I N 6.702 127.383 120.570 0.186 0.000 2.355 96 I HA 0.367 4.538 4.170 0.001 0.000 0.288 96 I C -0.862 175.329 176.117 0.123 0.000 0.999 96 I CA -0.776 60.629 61.300 0.176 0.000 1.163 96 I CB 1.664 39.751 38.000 0.144 0.000 1.316 96 I HN 0.123 nan 8.210 nan 0.000 0.454 97 V N 5.064 125.052 119.914 0.122 0.000 2.347 97 V HA 0.364 4.484 4.120 0.001 0.000 0.280 97 V C 0.273 176.445 176.094 0.129 0.000 1.021 97 V CA -0.473 61.893 62.300 0.111 0.000 0.847 97 V CB 1.560 33.439 31.823 0.093 0.000 0.990 97 V HN 0.822 nan 8.190 nan 0.000 0.444 98 T N 2.346 116.990 114.554 0.151 0.000 2.758 98 T HA 0.677 5.027 4.350 0.001 0.000 0.285 98 T C -0.651 174.161 174.700 0.187 0.000 0.981 98 T CA -0.714 61.492 62.100 0.177 0.000 0.965 98 T CB 1.567 70.594 68.868 0.264 0.000 0.927 98 T HN 0.512 nan 8.240 nan 0.000 0.448 99 V N 3.181 123.157 119.914 0.104 0.000 2.487 99 V HA 0.897 5.018 4.120 0.001 0.000 0.298 99 V C 0.219 176.305 176.094 -0.012 0.000 1.028 99 V CA 0.958 63.311 62.300 0.088 0.000 0.860 99 V CB 0.769 32.641 31.823 0.083 0.000 0.991 99 V HN 1.606 nan 8.190 nan 0.000 0.427 100 G N 4.177 112.959 108.800 -0.031 0.000 2.302 100 G HA2 0.407 4.368 3.960 0.001 0.000 0.264 100 G HA3 0.407 4.368 3.960 0.001 0.000 0.264 100 G C 0.075 174.877 174.900 -0.164 0.000 1.335 100 G CA 0.044 45.079 45.100 -0.108 0.000 0.982 100 G HN 1.427 nan 8.290 nan 0.000 0.473 101 G N -1.004 107.705 108.800 -0.152 0.000 2.714 101 G HA2 0.556 4.517 3.960 0.001 0.000 0.197 101 G HA3 0.556 4.517 3.960 0.001 0.000 0.197 101 G C 1.558 176.353 174.900 -0.174 0.000 1.449 101 G CA 0.846 45.912 45.100 -0.057 0.000 1.065 101 G HN 1.791 nan 8.290 nan 0.000 0.575 102 G N -0.267 108.545 108.800 0.020 0.000 2.440 102 G HA2 -0.154 3.807 3.960 0.001 0.000 0.218 102 G HA3 -0.154 3.807 3.960 0.001 0.000 0.218 102 G C 2.064 176.958 174.900 -0.010 0.000 1.154 102 G CA 1.741 46.886 45.100 0.076 0.000 0.767 102 G HN 0.500 nan 8.290 nan 0.000 0.552 103 S N 1.903 117.571 115.700 -0.054 0.000 2.351 103 S HA -0.094 4.377 4.470 0.001 0.000 0.220 103 S C 0.208 174.774 174.600 -0.057 0.000 1.035 103 S CA 1.696 59.869 58.200 -0.044 0.000 1.031 103 S CB -1.106 62.071 63.200 -0.039 0.000 0.928 103 S HN 0.306 nan 8.310 nan 0.000 0.433 104 P HA -0.090 nan 4.420 nan 0.000 0.218 104 P C 0.774 178.058 177.300 -0.027 0.000 1.148 104 P CA 1.279 64.317 63.100 -0.103 0.000 0.822 104 P CB -0.122 31.464 31.700 -0.190 0.000 0.784 105 H N -1.495 117.603 119.070 0.046 0.000 2.363 105 H HA -0.072 4.485 4.556 0.001 0.000 0.301 105 H C 1.743 177.085 175.328 0.024 0.000 1.074 105 H CA 0.780 56.851 56.048 0.039 0.000 1.354 105 H CB -0.305 29.482 29.762 0.042 0.000 1.397 105 H HN 0.095 nan 8.280 nan 0.000 0.516 106 D N 0.362 120.837 120.400 0.125 0.000 2.078 106 D HA -0.181 4.459 4.640 0.001 0.000 0.193 106 D C 2.338 178.660 176.300 0.036 0.000 0.990 106 D CA 1.007 55.040 54.000 0.055 0.000 0.827 106 D CB -0.686 40.123 40.800 0.014 0.000 0.975 106 D HN 0.301 nan 8.370 nan 0.000 0.451 107 C N 1.084 120.412 119.300 0.046 0.000 2.413 107 C HA -0.097 4.364 4.460 0.001 0.000 0.276 107 C C 2.843 177.872 174.990 0.066 0.000 1.248 107 C CA 1.599 60.658 59.018 0.068 0.000 1.742 107 C CB -1.235 26.578 27.740 0.120 0.000 2.017 107 C HN 0.453 nan 8.230 nan 0.000 0.481 108 G N 0.070 108.919 108.800 0.082 0.000 2.459 108 G HA2 -0.249 3.711 3.960 0.001 0.000 0.217 108 G HA3 -0.249 3.711 3.960 0.001 0.000 0.217 108 G C 1.744 176.651 174.900 0.011 0.000 1.183 108 G CA 1.071 46.213 45.100 0.069 0.000 0.776 108 G HN 0.674 nan 8.290 nan 0.000 0.552 109 K N 0.129 120.537 120.400 0.013 0.000 2.026 109 K HA -0.044 4.276 4.320 0.001 0.000 0.208 109 K C 2.779 179.348 176.600 -0.052 0.000 1.048 109 K CA 0.997 57.267 56.287 -0.029 0.000 0.929 109 K CB -0.509 31.977 32.500 -0.022 0.000 0.713 109 K HN 0.275 nan 8.250 nan 0.000 0.439 110 G N 1.494 110.277 108.800 -0.029 0.000 2.440 110 G HA2 -0.249 3.712 3.960 0.001 0.000 0.218 110 G HA3 -0.249 3.712 3.960 0.001 0.000 0.218 110 G C 1.519 176.385 174.900 -0.056 0.000 1.154 110 G CA 0.839 45.926 45.100 -0.021 0.000 0.767 110 G HN 0.150 nan 8.290 nan 0.000 0.552 111 I N 1.241 121.762 120.570 -0.081 0.000 2.179 111 I HA -0.115 4.056 4.170 0.001 0.000 0.242 111 I C 3.103 179.055 176.117 -0.273 0.000 1.088 111 I CA 1.084 62.282 61.300 -0.170 0.000 1.357 111 I CB -0.471 37.430 38.000 -0.165 0.000 1.051 111 I HN 0.250 nan 8.210 nan 0.000 0.409 112 G N 1.094 109.756 108.800 -0.231 0.000 2.440 112 G HA2 -0.229 3.732 3.960 0.001 0.000 0.218 112 G HA3 -0.229 3.732 3.960 0.001 0.000 0.218 112 G C 1.672 176.463 174.900 -0.182 0.000 1.154 112 G CA 0.839 45.791 45.100 -0.246 0.000 0.767 112 G HN 0.324 nan 8.290 nan 0.000 0.552 113 I N 1.362 121.857 120.570 -0.126 0.000 2.113 113 I HA -0.173 3.998 4.170 0.001 0.000 0.238 113 I C 3.307 179.393 176.117 -0.052 0.000 1.070 113 I CA 1.145 62.396 61.300 -0.081 0.000 1.332 113 I CB -0.306 37.604 38.000 -0.150 0.000 1.044 113 I HN 0.236 nan 8.210 nan 0.000 0.402 114 A N 0.617 123.386 122.820 -0.085 0.000 1.972 114 A HA -0.109 4.212 4.320 0.001 0.000 0.219 114 A C 2.371 179.902 177.584 -0.089 0.000 1.169 114 A CA 1.706 53.709 52.037 -0.057 0.000 0.635 114 A CB -0.750 18.228 19.000 -0.037 0.000 0.810 114 A HN 0.460 nan 8.150 nan 0.000 0.446 115 A N -1.726 120.988 122.820 -0.177 0.000 2.235 115 A HA 0.183 4.503 4.320 0.001 0.000 0.208 115 A C 1.720 179.213 177.584 -0.152 0.000 1.172 115 A CA 1.715 53.631 52.037 -0.202 0.000 0.786 115 A CB -0.343 18.376 19.000 -0.467 0.000 0.804 115 A HN 0.380 nan 8.150 nan 0.000 0.479 116 T N -1.862 112.593 114.554 -0.165 0.000 2.993 116 T HA 0.211 4.561 4.350 0.001 0.000 0.260 116 T C -0.351 174.042 174.700 -0.512 0.000 0.939 116 T CA 0.055 61.980 62.100 -0.291 0.000 0.886 116 T CB 0.079 68.765 68.868 -0.304 0.000 1.209 116 T HN 0.549 nan 8.240 nan 0.000 0.518 117 H N 1.389 120.333 119.070 -0.211 0.000 2.589 117 H HA 0.481 5.038 4.556 0.001 0.000 0.351 117 H C -0.456 174.845 175.328 -0.045 0.000 1.074 117 H CA -0.985 54.905 56.048 -0.263 0.000 1.203 117 H CB 1.172 30.435 29.762 -0.833 0.000 1.558 117 H HN 0.019 nan 8.280 nan 0.000 0.522 118 E N 2.347 122.679 120.200 0.220 0.000 3.587 118 E HA -0.106 4.245 4.350 0.001 0.000 0.235 118 E C 0.356 177.106 176.600 0.250 0.000 0.912 118 E CA 0.543 57.077 56.400 0.224 0.000 0.933 118 E CB -0.352 29.491 29.700 0.239 0.000 0.865 118 E HN 0.842 nan 8.360 nan 0.000 0.567 119 G N 4.745 113.628 108.800 0.139 0.000 2.420 119 G HA2 0.035 3.996 3.960 0.001 0.000 0.273 119 G HA3 0.035 3.996 3.960 0.001 0.000 0.273 119 G C -0.316 174.667 174.900 0.137 0.000 0.671 119 G CA 0.863 46.032 45.100 0.116 0.000 1.054 119 G HN 0.736 nan 8.290 nan 0.000 0.295 120 D N 0.265 120.769 120.400 0.173 0.000 2.954 120 D HA 0.053 4.694 4.640 0.001 0.000 0.260 120 D C 1.053 177.466 176.300 0.190 0.000 1.072 120 D CA -0.323 53.761 54.000 0.139 0.000 0.735 120 D CB 0.179 41.033 40.800 0.089 0.000 1.934 120 D HN 0.329 nan 8.370 nan 0.000 0.458 121 L N 0.765 122.061 121.223 0.122 0.000 1.984 121 L HA 0.244 4.584 4.340 0.001 0.000 0.207 121 L C 2.128 178.999 176.870 0.002 0.000 1.111 121 L CA 0.354 55.287 54.840 0.156 0.000 0.770 121 L CB -0.961 41.197 42.059 0.165 0.000 0.900 121 L HN 0.599 nan 8.230 nan 0.000 0.441 122 Y N 0.521 120.502 120.300 -0.533 0.000 2.132 122 Y HA -0.393 4.158 4.550 0.001 0.000 0.280 122 Y C 3.093 178.814 175.900 -0.298 0.000 1.193 122 Y CA 1.818 59.541 58.100 -0.628 0.000 1.157 122 Y CB -0.137 38.035 38.460 -0.480 0.000 0.966 122 Y HN 0.447 nan 8.280 nan 0.000 0.511 123 Q N -0.787 118.951 119.800 -0.102 0.000 2.268 123 Q HA -0.263 4.078 4.340 0.001 0.000 0.210 123 Q C 0.582 176.306 176.000 -0.459 0.000 0.988 123 Q CA 1.870 57.495 55.803 -0.296 0.000 0.883 123 Q CB -0.174 28.331 28.738 -0.388 0.000 0.911 123 Q HN 0.662 nan 8.270 nan 0.000 0.430 124 Y N -1.451 118.812 120.300 -0.061 0.000 2.531 124 Y HA 0.413 4.964 4.550 0.001 0.000 0.249 124 Y C 0.421 176.295 175.900 -0.043 0.000 1.168 124 Y CA -0.261 57.802 58.100 -0.062 0.000 1.226 124 Y CB 0.382 38.789 38.460 -0.089 0.000 1.177 124 Y HN 0.027 nan 8.280 nan 0.000 0.527 125 A N 0.759 123.597 122.820 0.030 0.000 2.483 125 A HA 0.545 4.865 4.320 0.001 0.000 0.238 125 A C 1.103 178.679 177.584 -0.013 0.000 1.070 125 A CA 1.071 53.134 52.037 0.042 0.000 0.770 125 A CB -0.549 18.392 19.000 -0.099 0.000 1.008 125 A HN 0.661 nan 8.150 nan 0.000 0.497 126 G N 0.319 109.133 108.800 0.024 0.000 2.306 126 G HA2 0.263 4.224 3.960 0.001 0.000 0.262 126 G HA3 0.263 4.224 3.960 0.001 0.000 0.262 126 G C -0.074 174.844 174.900 0.030 0.000 1.263 126 G CA 0.045 45.148 45.100 0.006 0.000 1.088 126 G HN 1.662 nan 8.290 nan 0.000 0.489 127 I N -0.759 119.823 120.570 0.020 0.000 3.062 127 I HA 0.635 4.806 4.170 0.001 0.000 0.173 127 I C 1.147 177.288 176.117 0.040 0.000 1.464 127 I CA -0.047 61.272 61.300 0.031 0.000 0.609 127 I CB -0.352 37.659 38.000 0.018 0.000 1.899 127 I HN 0.651 nan 8.210 nan 0.000 1.013 128 E N 0.419 120.650 120.200 0.052 0.000 1.909 128 E HA 0.034 4.385 4.350 0.001 0.000 0.253 128 E C -0.079 176.563 176.600 0.069 0.000 1.268 128 E CA 0.488 56.935 56.400 0.078 0.000 0.999 128 E CB -0.322 29.447 29.700 0.114 0.000 1.072 128 E HN 0.723 nan 8.360 nan 0.000 0.428 129 T N 1.002 115.588 114.554 0.054 0.000 3.040 129 T HA 0.200 4.551 4.350 0.001 0.000 0.266 129 T C 0.226 174.971 174.700 0.074 0.000 1.005 129 T CA -0.519 61.628 62.100 0.079 0.000 0.906 129 T CB 0.257 69.183 68.868 0.097 0.000 1.082 129 T HN 0.110 nan 8.240 nan 0.000 0.531 130 L N 2.623 123.827 121.223 -0.031 0.000 2.305 130 L HA 0.484 4.825 4.340 0.001 0.000 0.281 130 L C 1.320 178.238 176.870 0.079 0.000 1.085 130 L CA 0.340 55.084 54.840 -0.160 0.000 0.813 130 L CB 1.431 43.302 42.059 -0.314 0.000 1.157 130 L HN 0.155 nan 8.230 nan 0.000 0.436 131 T N 0.314 115.022 114.554 0.256 0.000 3.034 131 T HA 0.243 4.594 4.350 0.001 0.000 0.248 131 T C 0.492 175.282 174.700 0.149 0.000 1.040 131 T CA 0.113 62.336 62.100 0.204 0.000 1.107 131 T CB 0.122 69.099 68.868 0.181 0.000 0.932 131 T HN 0.456 nan 8.240 nan 0.000 0.474 132 N N 2.223 121.018 118.700 0.159 0.000 2.319 132 N HA 0.382 5.122 4.740 0.001 0.000 0.305 132 N C -3.110 172.350 175.510 -0.083 0.000 1.103 132 N CA -1.832 51.178 53.050 -0.068 0.000 0.815 132 N CB 1.634 39.942 38.487 -0.298 0.000 1.288 132 N HN 0.063 nan 8.380 nan 0.000 0.493 133 P HA 0.129 nan 4.420 nan 0.000 0.271 133 P C 0.092 177.316 177.300 -0.127 0.000 1.216 133 P CA -0.053 62.961 63.100 -0.144 0.000 0.776 133 P CB 0.970 32.614 31.700 -0.093 0.000 0.881 134 L N 3.928 125.069 121.223 -0.136 0.000 2.475 134 L HA 0.284 4.625 4.340 0.001 0.000 0.253 134 L C -1.733 175.089 176.870 -0.080 0.000 1.198 134 L CA -1.910 52.862 54.840 -0.113 0.000 0.814 134 L CB -0.621 41.364 42.059 -0.124 0.000 1.134 134 L HN 0.220 nan 8.230 nan 0.000 0.478 135 P HA 0.102 nan 4.420 nan 0.000 0.269 135 P C -2.447 174.860 177.300 0.011 0.000 1.209 135 P CA -0.924 62.184 63.100 0.015 0.000 0.776 135 P CB -0.300 31.447 31.700 0.078 0.000 0.876 136 P HA 0.059 nan 4.420 nan 0.000 0.264 136 P C -0.510 176.814 177.300 0.040 0.000 1.183 136 P CA 0.845 63.962 63.100 0.027 0.000 0.763 136 P CB 0.373 32.096 31.700 0.038 0.000 0.807 137 I N 2.815 123.398 120.570 0.023 0.000 2.389 137 I HA 0.269 4.440 4.170 0.001 0.000 0.288 137 I C -0.073 176.069 176.117 0.041 0.000 0.999 137 I CA -1.128 60.193 61.300 0.035 0.000 1.129 137 I CB 2.107 40.115 38.000 0.013 0.000 1.288 137 I HN -0.013 nan 8.210 nan 0.000 0.444 138 V N 5.317 125.267 119.914 0.060 0.000 2.398 138 V HA 0.666 4.786 4.120 0.001 0.000 0.286 138 V C 0.235 176.374 176.094 0.075 0.000 1.026 138 V CA -0.508 61.830 62.300 0.063 0.000 0.868 138 V CB 1.538 33.399 31.823 0.062 0.000 0.982 138 V HN 0.827 nan 8.190 nan 0.000 0.443 139 A N 4.528 127.383 122.820 0.058 0.000 2.285 139 A HA 0.692 5.013 4.320 0.001 0.000 0.310 139 A C -0.593 177.040 177.584 0.081 0.000 1.266 139 A CA -0.531 51.541 52.037 0.058 0.000 0.832 139 A CB 1.442 20.377 19.000 -0.110 0.000 1.163 139 A HN 1.075 nan 8.150 nan 0.000 0.499 140 V N 4.484 124.503 119.914 0.175 0.000 2.348 140 V HA 0.339 4.460 4.120 0.001 0.000 0.270 140 V C -0.096 176.169 176.094 0.285 0.000 1.037 140 V CA -0.644 61.761 62.300 0.176 0.000 0.872 140 V CB 0.862 32.762 31.823 0.128 0.000 1.002 140 V HN 0.862 nan 8.190 nan 0.000 0.464 141 N N 4.169 123.007 118.700 0.230 0.000 2.438 141 N HA 0.309 5.049 4.740 0.001 0.000 0.282 141 N C 0.197 175.819 175.510 0.186 0.000 1.037 141 N CA -0.136 53.085 53.050 0.284 0.000 0.942 141 N CB 1.818 40.422 38.487 0.194 0.000 1.136 141 N HN 0.773 nan 8.380 nan 0.000 0.481 142 T N 0.705 115.356 114.554 0.163 0.000 3.084 142 T HA 0.114 4.465 4.350 0.001 0.000 0.270 142 T C 0.157 174.910 174.700 0.089 0.000 1.008 142 T CA 0.003 62.164 62.100 0.102 0.000 0.900 142 T CB 0.329 69.240 68.868 0.072 0.000 1.084 142 T HN 0.378 nan 8.240 nan 0.000 0.538 143 T N 1.934 116.556 114.554 0.113 0.000 2.881 143 T HA 0.597 4.948 4.350 0.001 0.000 0.290 143 T C -0.627 174.139 174.700 0.110 0.000 1.000 143 T CA -0.517 61.643 62.100 0.101 0.000 0.978 143 T CB 1.240 70.170 68.868 0.103 0.000 0.997 143 T HN 0.093 nan 8.240 nan 0.000 0.443 144 A N 2.938 125.810 122.820 0.086 0.000 3.168 144 A HA 0.619 4.939 4.320 0.001 0.000 0.260 144 A C 1.190 178.839 177.584 0.109 0.000 1.598 144 A CA 0.264 52.353 52.037 0.087 0.000 1.285 144 A CB -0.794 18.235 19.000 0.050 0.000 1.149 144 A HN 0.982 nan 8.150 nan 0.000 0.630 145 G N -0.556 108.335 108.800 0.152 0.000 2.652 145 G HA2 0.094 4.055 3.960 0.001 0.000 0.187 145 G HA3 0.094 4.055 3.960 0.001 0.000 0.187 145 G C 1.351 176.439 174.900 0.313 0.000 1.219 145 G CA 0.952 46.166 45.100 0.190 0.000 0.667 145 G HN 0.614 nan 8.290 nan 0.000 0.781 146 T N -1.359 113.364 114.554 0.281 0.000 2.939 146 T HA 0.380 4.731 4.350 0.001 0.000 0.254 146 T C 1.892 176.745 174.700 0.256 0.000 1.041 146 T CA 1.718 64.005 62.100 0.312 0.000 1.142 146 T CB -0.155 68.856 68.868 0.238 0.000 0.874 146 T HN 1.742 nan 8.240 nan 0.000 0.452 147 A N 0.596 123.544 122.820 0.213 0.000 2.847 147 A HA -0.211 4.109 4.320 0.001 0.000 0.263 147 A C 1.680 179.319 177.584 0.091 0.000 1.391 147 A CA 1.089 53.214 52.037 0.147 0.000 0.866 147 A CB -2.605 16.497 19.000 0.171 0.000 1.057 147 A HN 0.558 nan 8.150 nan 0.000 0.673 148 S N 0.215 115.993 115.700 0.130 0.000 2.474 148 S HA -0.126 4.345 4.470 0.001 0.000 0.235 148 S C 1.829 176.373 174.600 -0.094 0.000 0.997 148 S CA 1.148 59.403 58.200 0.091 0.000 0.949 148 S CB -0.221 63.115 63.200 0.227 0.000 0.766 148 S HN 0.972 nan 8.310 nan 0.000 0.517 149 E N 0.784 120.819 120.200 -0.276 0.000 2.478 149 E HA -0.014 4.337 4.350 0.001 0.000 0.198 149 E C 1.176 177.680 176.600 -0.161 0.000 1.046 149 E CA 0.576 56.760 56.400 -0.360 0.000 0.870 149 E CB -0.128 29.321 29.700 -0.417 0.000 0.818 149 E HN 0.387 nan 8.360 nan 0.000 0.527 150 V N 0.414 120.253 119.914 -0.124 0.000 3.432 150 V HA 0.093 4.213 4.120 0.001 0.000 0.298 150 V C 0.558 176.540 176.094 -0.188 0.000 1.464 150 V CA 0.323 62.549 62.300 -0.124 0.000 1.046 150 V CB 0.933 32.700 31.823 -0.094 0.000 0.887 150 V HN 0.118 nan 8.190 nan 0.000 0.441 151 T N 1.048 115.494 114.554 -0.180 0.000 2.928 151 T HA 0.242 4.593 4.350 0.001 0.000 0.284 151 T C 1.243 175.786 174.700 -0.261 0.000 1.008 151 T CA -0.479 61.472 62.100 -0.248 0.000 1.057 151 T CB 1.135 69.942 68.868 -0.102 0.000 1.018 151 T HN 0.434 nan 8.240 nan 0.000 0.493 152 R N 2.029 122.260 120.500 -0.448 0.000 2.317 152 R HA 0.102 4.443 4.340 0.001 0.000 0.208 152 R C -0.349 175.745 176.300 -0.342 0.000 0.914 152 R CA 0.157 56.029 56.100 -0.380 0.000 1.060 152 R CB -0.229 29.842 30.300 -0.381 0.000 1.015 152 R HN 0.634 nan 8.270 nan 0.000 0.498 153 H N -0.139 118.890 119.070 -0.068 0.000 2.482 153 H HA 0.334 4.890 4.556 0.001 0.000 0.344 153 H C -0.742 174.561 175.328 -0.041 0.000 1.151 153 H CA -0.503 55.520 56.048 -0.040 0.000 1.300 153 H CB 1.707 31.462 29.762 -0.012 0.000 1.494 153 H HN 0.084 nan 8.280 nan 0.000 0.542 154 C N 3.822 123.171 119.300 0.081 0.000 2.547 154 C HA 0.419 4.880 4.460 0.001 0.000 0.327 154 C C -0.748 174.199 174.990 -0.072 0.000 1.076 154 C CA -0.550 58.469 59.018 0.002 0.000 1.390 154 C CB -0.614 27.113 27.740 -0.021 0.000 1.918 154 C HN 0.689 nan 8.230 nan 0.000 0.438 155 V N 8.642 128.497 119.914 -0.097 0.000 2.328 155 V HA 0.597 4.718 4.120 0.001 0.000 0.278 155 V C -0.796 175.135 176.094 -0.271 0.000 1.021 155 V CA -0.159 62.018 62.300 -0.204 0.000 0.838 155 V CB 0.903 32.635 31.823 -0.152 0.000 0.999 155 V HN 0.777 nan 8.190 nan 0.000 0.447 156 L N 4.884 125.790 121.223 -0.528 0.000 2.298 156 L HA 0.711 5.052 4.340 0.001 0.000 0.268 156 L C 0.457 177.085 176.870 -0.404 0.000 1.010 156 L CA -0.350 54.215 54.840 -0.458 0.000 0.812 156 L CB 2.005 43.766 42.059 -0.497 0.000 1.331 156 L HN 0.508 nan 8.230 nan 0.000 0.450 157 T N 0.745 115.228 114.554 -0.118 0.000 2.823 157 T HA 0.317 4.667 4.350 0.001 0.000 0.279 157 T C -0.081 174.750 174.700 0.219 0.000 0.998 157 T CA -0.501 61.628 62.100 0.049 0.000 0.994 157 T CB 1.308 70.201 68.868 0.041 0.000 0.960 157 T HN 0.368 nan 8.240 nan 0.000 0.448 158 N N 1.364 120.252 118.700 0.312 0.000 2.414 158 N HA 0.195 4.935 4.740 0.001 0.000 0.256 158 N C 1.071 176.620 175.510 0.064 0.000 1.029 158 N CA -0.216 52.957 53.050 0.206 0.000 0.948 158 N CB 0.952 39.460 38.487 0.034 0.000 1.102 158 N HN 0.489 nan 8.380 nan 0.000 0.496 159 T N 1.991 116.571 114.554 0.043 0.000 2.915 159 T HA -0.136 4.215 4.350 0.001 0.000 0.269 159 T C 1.393 176.082 174.700 -0.018 0.000 1.071 159 T CA 1.058 63.169 62.100 0.018 0.000 1.132 159 T CB 0.013 68.895 68.868 0.025 0.000 0.878 159 T HN 0.653 nan 8.240 nan 0.000 0.479 160 E N 1.573 121.735 120.200 -0.062 0.000 2.077 160 E HA -0.143 4.208 4.350 0.001 0.000 0.193 160 E C 2.111 178.657 176.600 -0.089 0.000 0.989 160 E CA 1.758 58.101 56.400 -0.095 0.000 0.800 160 E CB -0.084 29.515 29.700 -0.167 0.000 0.746 160 E HN 0.621 nan 8.360 nan 0.000 0.452 161 T N -4.382 110.113 114.554 -0.099 0.000 3.010 161 T HA 0.295 4.646 4.350 0.001 0.000 0.257 161 T C 1.140 175.845 174.700 0.008 0.000 1.020 161 T CA 0.639 62.708 62.100 -0.052 0.000 0.938 161 T CB 0.278 69.104 68.868 -0.069 0.000 1.049 161 T HN 0.298 nan 8.240 nan 0.000 0.522 162 K N -0.794 119.616 120.400 0.018 0.000 3.193 162 K HA 0.087 4.407 4.320 0.001 0.000 0.294 162 K C 0.382 177.024 176.600 0.070 0.000 1.185 162 K CA 1.499 57.810 56.287 0.041 0.000 0.866 162 K CB -2.877 29.640 32.500 0.029 0.000 1.227 162 K HN 1.885 nan 8.250 nan 0.000 0.467 163 V N -0.311 119.663 119.914 0.100 0.000 2.789 163 V HA 0.751 4.872 4.120 0.001 0.000 0.311 163 V C 0.357 176.578 176.094 0.211 0.000 1.073 163 V CA -0.960 61.423 62.300 0.138 0.000 0.921 163 V CB 1.665 33.577 31.823 0.148 0.000 1.009 163 V HN 0.348 nan 8.190 nan 0.000 0.426 164 K N 2.808 123.304 120.400 0.161 0.000 2.219 164 K HA 0.731 5.051 4.320 0.001 0.000 0.258 164 K C -0.846 175.919 176.600 0.274 0.000 1.008 164 K CA 0.188 56.557 56.287 0.137 0.000 0.928 164 K CB 0.907 33.398 32.500 -0.016 0.000 0.983 164 K HN 0.800 nan 8.250 nan 0.000 0.484 165 F N -2.144 117.867 119.950 0.103 0.000 2.613 165 F HA 0.654 5.181 4.527 0.001 0.000 0.314 165 F C -1.162 174.654 175.800 0.027 0.000 1.075 165 F CA -1.321 56.719 58.000 0.066 0.000 0.945 165 F CB 0.828 39.892 39.000 0.106 0.000 1.310 165 F HN 0.071 nan 8.300 nan 0.000 0.467 166 V N 2.760 122.743 119.914 0.116 0.000 2.735 166 V HA 0.547 4.667 4.120 0.001 0.000 0.310 166 V C -0.402 175.763 176.094 0.118 0.000 1.061 166 V CA -0.820 61.498 62.300 0.030 0.000 0.913 166 V CB 1.972 33.807 31.823 0.019 0.000 1.005 166 V HN 0.741 nan 8.190 nan 0.000 0.428 167 I N 3.792 124.415 120.570 0.088 0.000 2.418 167 I HA 0.510 4.680 4.170 0.001 0.000 0.287 167 I C -0.886 175.268 176.117 0.062 0.000 1.008 167 I CA -0.845 60.508 61.300 0.087 0.000 1.104 167 I CB 2.043 40.094 38.000 0.085 0.000 1.264 167 I HN 0.256 nan 8.210 nan 0.000 0.438 168 V N 4.794 124.743 119.914 0.060 0.000 2.357 168 V HA 0.565 4.686 4.120 0.001 0.000 0.284 168 V C -0.103 175.993 176.094 0.003 0.000 1.018 168 V CA -0.233 62.093 62.300 0.045 0.000 0.841 168 V CB 1.321 33.202 31.823 0.096 0.000 0.991 168 V HN 0.807 nan 8.190 nan 0.000 0.437 169 S N 4.071 119.744 115.700 -0.044 0.000 2.537 169 S HA 0.372 4.842 4.470 0.001 0.000 0.271 169 S C 0.186 174.762 174.600 -0.041 0.000 1.148 169 S CA -0.675 57.506 58.200 -0.032 0.000 0.868 169 S CB 1.363 64.487 63.200 -0.128 0.000 1.115 169 S HN 0.857 nan 8.310 nan 0.000 0.461 170 W N 4.450 125.704 121.300 -0.076 0.000 2.611 170 W HA 0.052 4.713 4.660 0.001 0.000 0.251 170 W C 0.704 177.186 176.519 -0.061 0.000 1.265 170 W CA 0.366 57.666 57.345 -0.075 0.000 1.295 170 W CB -0.556 28.872 29.460 -0.052 0.000 1.129 170 W HN 0.634 nan 8.180 nan 0.000 0.630 171 R N 0.756 120.770 120.500 -0.810 0.000 2.276 171 R HA 0.041 4.382 4.340 0.001 0.000 0.196 171 R C 1.485 177.561 176.300 -0.374 0.000 0.961 171 R CA 0.685 56.314 56.100 -0.786 0.000 1.024 171 R CB -0.336 29.476 30.300 -0.813 0.000 0.940 171 R HN 0.362 nan 8.270 nan 0.000 0.480 172 N N 0.283 118.826 118.700 -0.262 0.000 2.409 172 N HA -0.050 4.691 4.740 0.001 0.000 0.179 172 N C -0.252 175.176 175.510 -0.137 0.000 1.032 172 N CA -0.084 52.863 53.050 -0.171 0.000 0.898 172 N CB 0.162 38.566 38.487 -0.139 0.000 0.971 172 N HN -0.072 nan 8.380 nan 0.000 0.441 173 L N 2.686 123.827 121.223 -0.136 0.000 2.615 173 L HA 0.070 4.410 4.340 0.001 0.000 0.271 173 L C -1.883 174.940 176.870 -0.078 0.000 1.183 173 L CA -1.269 53.513 54.840 -0.097 0.000 0.933 173 L CB -0.349 41.679 42.059 -0.051 0.000 1.199 173 L HN -0.060 nan 8.230 nan 0.000 0.487 174 P HA 0.027 nan 4.420 nan 0.000 0.269 174 P C 0.495 177.784 177.300 -0.018 0.000 1.205 174 P CA 0.177 63.254 63.100 -0.039 0.000 0.780 174 P CB 0.545 32.220 31.700 -0.042 0.000 0.858 175 S N -0.573 115.128 115.700 0.001 0.000 2.395 175 S HA 0.051 4.522 4.470 0.001 0.000 0.225 175 S C 0.709 175.332 174.600 0.038 0.000 1.027 175 S CA 0.636 58.848 58.200 0.019 0.000 0.965 175 S CB 0.076 63.291 63.200 0.025 0.000 0.812 175 S HN 0.282 nan 8.310 nan 0.000 0.482 176 V N 1.536 121.479 119.914 0.048 0.000 2.808 176 V HA 0.545 4.666 4.120 0.001 0.000 0.308 176 V C -0.663 175.475 176.094 0.074 0.000 1.099 176 V CA -0.899 61.452 62.300 0.085 0.000 0.920 176 V CB 2.229 34.136 31.823 0.139 0.000 1.014 176 V HN 0.328 nan 8.190 nan 0.000 0.425 177 S N 4.502 120.256 115.700 0.090 0.000 2.532 177 S HA 0.900 5.371 4.470 0.001 0.000 0.301 177 S C -1.002 173.696 174.600 0.162 0.000 1.083 177 S CA -0.647 57.600 58.200 0.079 0.000 1.025 177 S CB 1.796 65.020 63.200 0.041 0.000 1.056 177 S HN 0.533 nan 8.310 nan 0.000 0.494 178 I N 2.389 123.046 120.570 0.145 0.000 2.512 178 I HA 0.384 4.555 4.170 0.001 0.000 0.287 178 I C -0.753 175.470 176.117 0.176 0.000 1.069 178 I CA -0.488 60.923 61.300 0.184 0.000 1.056 178 I CB 2.082 40.157 38.000 0.125 0.000 1.229 178 I HN 0.675 nan 8.210 nan 0.000 0.429 179 N N 4.922 123.763 118.700 0.236 0.000 2.776 179 N HA 0.153 4.894 4.740 0.001 0.000 0.245 179 N C -1.338 174.303 175.510 0.219 0.000 1.121 179 N CA -0.376 52.809 53.050 0.225 0.000 0.852 179 N CB 1.357 40.001 38.487 0.262 0.000 1.142 179 N HN 0.528 nan 8.380 nan 0.000 0.514 180 D N 2.592 123.080 120.400 0.147 0.000 2.428 180 D HA 0.187 4.827 4.640 0.001 0.000 0.221 180 D C -1.345 175.000 176.300 0.075 0.000 1.123 180 D CA -2.020 52.047 54.000 0.111 0.000 0.869 180 D CB 1.714 42.560 40.800 0.078 0.000 1.032 180 D HN 0.216 nan 8.370 nan 0.000 0.506 181 P HA -0.148 nan 4.420 nan 0.000 0.219 181 P C 1.688 178.991 177.300 0.006 0.000 1.146 181 P CA 0.217 63.316 63.100 -0.002 0.000 0.808 181 P CB 0.609 32.268 31.700 -0.068 0.000 0.779 182 L N -1.231 120.004 121.223 0.021 0.000 2.127 182 L HA -0.148 4.193 4.340 0.001 0.000 0.211 182 L C 2.363 179.251 176.870 0.030 0.000 1.089 182 L CA 1.563 56.417 54.840 0.023 0.000 0.757 182 L CB -1.749 40.330 42.059 0.033 0.000 0.899 182 L HN -0.059 nan 8.230 nan 0.000 0.434 183 L N -1.666 119.582 121.223 0.042 0.000 2.240 183 L HA -0.057 4.284 4.340 0.001 0.000 0.211 183 L C 2.217 179.110 176.870 0.038 0.000 1.106 183 L CA 1.337 56.205 54.840 0.047 0.000 0.793 183 L CB -0.679 41.417 42.059 0.062 0.000 0.927 183 L HN 0.272 nan 8.230 nan 0.000 0.446 184 M N -1.924 117.695 119.600 0.032 0.000 2.558 184 M HA -0.014 4.466 4.480 0.001 0.000 0.255 184 M C 2.076 178.385 176.300 0.015 0.000 1.113 184 M CA 0.915 56.231 55.300 0.026 0.000 1.097 184 M CB -0.216 32.398 32.600 0.023 0.000 1.426 184 M HN 0.131 nan 8.290 nan 0.000 0.488 185 I N 0.933 121.508 120.570 0.009 0.000 2.335 185 I HA -0.199 3.972 4.170 0.001 0.000 0.251 185 I C 2.378 178.498 176.117 0.006 0.000 1.129 185 I CA 1.318 62.619 61.300 0.003 0.000 1.402 185 I CB -0.587 37.413 38.000 0.000 0.000 1.069 185 I HN 0.371 nan 8.210 nan 0.000 0.424 186 G N 0.706 109.512 108.800 0.010 0.000 2.776 186 G HA2 -0.099 3.862 3.960 0.001 0.000 0.209 186 G HA3 -0.099 3.862 3.960 0.001 0.000 0.209 186 G C 0.675 175.581 174.900 0.010 0.000 1.145 186 G CA -0.175 44.931 45.100 0.010 0.000 0.791 186 G HN 0.252 nan 8.290 nan 0.000 0.530 187 K N 1.662 122.069 120.400 0.012 0.000 2.412 187 K HA 0.159 4.480 4.320 0.001 0.000 0.284 187 K C -2.306 174.300 176.600 0.010 0.000 1.046 187 K CA -1.192 55.103 56.287 0.014 0.000 0.999 187 K CB 0.759 33.269 32.500 0.018 0.000 0.941 187 K HN 0.066 nan 8.250 nan 0.000 0.474 188 P HA -0.034 nan 4.420 nan 0.000 0.269 188 P C 0.317 177.622 177.300 0.007 0.000 1.215 188 P CA -0.015 63.090 63.100 0.008 0.000 0.780 188 P CB 0.806 32.511 31.700 0.008 0.000 0.898 189 A N 3.155 125.978 122.820 0.005 0.000 1.884 189 A HA -0.278 4.042 4.320 0.001 0.000 0.219 189 A C 2.162 179.749 177.584 0.004 0.000 1.197 189 A CA 2.721 54.760 52.037 0.004 0.000 0.637 189 A CB -1.820 17.181 19.000 0.002 0.000 0.827 189 A HN 0.576 nan 8.150 nan 0.000 0.450 190 A N -1.057 121.766 122.820 0.004 0.000 1.933 190 A HA -0.035 4.286 4.320 0.001 0.000 0.218 190 A C 2.139 179.727 177.584 0.007 0.000 1.175 190 A CA 1.563 53.602 52.037 0.003 0.000 0.628 190 A CB -0.475 18.527 19.000 0.003 0.000 0.814 190 A HN 0.507 nan 8.150 nan 0.000 0.444 191 L N 0.279 121.509 121.223 0.011 0.000 2.093 191 L HA -0.120 4.220 4.340 0.001 0.000 0.208 191 L C 2.790 179.672 176.870 0.020 0.000 1.085 191 L CA 2.666 57.517 54.840 0.018 0.000 0.755 191 L CB -1.115 40.956 42.059 0.021 0.000 0.904 191 L HN 0.638 nan 8.230 nan 0.000 0.435 192 T N -2.275 112.288 114.554 0.015 0.000 2.985 192 T HA -0.024 4.327 4.350 0.001 0.000 0.266 192 T C 1.941 176.647 174.700 0.011 0.000 1.076 192 T CA 0.985 63.095 62.100 0.016 0.000 1.135 192 T CB -0.084 68.792 68.868 0.012 0.000 0.890 192 T HN 0.309 nan 8.240 nan 0.000 0.480 193 A N 1.612 124.435 122.820 0.004 0.000 1.877 193 A HA 0.308 4.628 4.320 0.001 0.000 0.216 193 A C 2.829 180.408 177.584 -0.009 0.000 1.186 193 A CA 2.013 54.047 52.037 -0.004 0.000 0.620 193 A CB -1.459 17.537 19.000 -0.007 0.000 0.822 193 A HN 0.790 nan 8.150 nan 0.000 0.443 194 A N -0.369 122.449 122.820 -0.004 0.000 1.873 194 A HA -0.062 4.259 4.320 0.001 0.000 0.215 194 A C 2.445 180.027 177.584 -0.003 0.000 1.186 194 A CA 2.476 54.506 52.037 -0.010 0.000 0.616 194 A CB -1.428 17.573 19.000 0.001 0.000 0.823 194 A HN 0.748 nan 8.150 nan 0.000 0.442 195 T N -2.427 112.140 114.554 0.022 0.000 2.833 195 T HA 0.012 4.362 4.350 0.001 0.000 0.269 195 T C 1.888 176.607 174.700 0.033 0.000 1.054 195 T CA 1.541 63.669 62.100 0.046 0.000 1.135 195 T CB -0.896 68.010 68.868 0.064 0.000 0.869 195 T HN 0.415 nan 8.240 nan 0.000 0.466 196 G N 1.581 110.391 108.800 0.017 0.000 2.421 196 G HA2 -0.120 3.841 3.960 0.001 0.000 0.216 196 G HA3 -0.120 3.841 3.960 0.001 0.000 0.216 196 G C 1.610 176.500 174.900 -0.016 0.000 1.171 196 G CA 0.939 46.045 45.100 0.010 0.000 0.775 196 G HN 0.339 nan 8.290 nan 0.000 0.543 197 M N 0.754 120.330 119.600 -0.041 0.000 2.229 197 M HA 0.017 4.498 4.480 0.001 0.000 0.264 197 M C 1.967 178.182 176.300 -0.141 0.000 1.063 197 M CA 0.809 56.063 55.300 -0.077 0.000 1.114 197 M CB -0.867 31.686 32.600 -0.079 0.000 1.387 197 M HN 0.163 nan 8.290 nan 0.000 0.420 198 D N 0.687 120.996 120.400 -0.151 0.000 2.092 198 D HA -0.105 4.535 4.640 0.001 0.000 0.193 198 D C 1.925 177.942 176.300 -0.471 0.000 0.994 198 D CA 1.928 55.755 54.000 -0.290 0.000 0.828 198 D CB 0.091 40.845 40.800 -0.077 0.000 0.963 198 D HN 0.267 nan 8.370 nan 0.000 0.450 199 A N 0.794 123.543 122.820 -0.118 0.000 1.877 199 A HA -0.134 4.186 4.320 0.001 0.000 0.216 199 A C 2.513 180.109 177.584 0.019 0.000 1.186 199 A CA 1.198 53.283 52.037 0.080 0.000 0.620 199 A CB -0.971 18.111 19.000 0.136 0.000 0.822 199 A HN 0.414 nan 8.150 nan 0.000 0.443 200 L N -0.402 120.803 121.223 -0.030 0.000 2.012 200 L HA -0.199 4.141 4.340 0.001 0.000 0.210 200 L C 2.619 179.469 176.870 -0.032 0.000 1.073 200 L CA 2.364 57.190 54.840 -0.025 0.000 0.748 200 L CB -0.723 41.314 42.059 -0.037 0.000 0.891 200 L HN 0.435 nan 8.230 nan 0.000 0.431 201 T N -1.834 112.659 114.554 -0.102 0.000 2.746 201 T HA -0.220 4.131 4.350 0.001 0.000 0.267 201 T C 1.542 176.245 174.700 0.005 0.000 1.039 201 T CA 1.547 63.597 62.100 -0.085 0.000 1.142 201 T CB -0.474 68.277 68.868 -0.195 0.000 0.866 201 T HN 0.552 nan 8.240 nan 0.000 0.444 202 H N 0.857 119.943 119.070 0.026 0.000 2.352 202 H HA 0.034 4.591 4.556 0.001 0.000 0.299 202 H C 2.562 177.923 175.328 0.055 0.000 1.097 202 H CA 1.019 57.026 56.048 -0.068 0.000 1.311 202 H CB -0.117 29.556 29.762 -0.148 0.000 1.377 202 H HN 0.384 nan 8.280 nan 0.000 0.504 203 A N 0.669 123.594 122.820 0.176 0.000 1.898 203 A HA -0.128 4.193 4.320 0.001 0.000 0.216 203 A C 2.584 180.227 177.584 0.098 0.000 1.181 203 A CA 1.641 53.751 52.037 0.122 0.000 0.620 203 A CB -0.855 18.179 19.000 0.056 0.000 0.819 203 A HN 0.355 nan 8.150 nan 0.000 0.442 204 V N -1.713 118.242 119.914 0.067 0.000 2.488 204 V HA -0.124 3.997 4.120 0.001 0.000 0.246 204 V C 1.859 177.997 176.094 0.074 0.000 1.046 204 V CA 2.193 64.525 62.300 0.053 0.000 1.053 204 V CB -0.806 31.022 31.823 0.008 0.000 0.679 204 V HN 0.566 nan 8.190 nan 0.000 0.458 205 E N 1.130 121.388 120.200 0.097 0.000 2.077 205 E HA -0.165 4.186 4.350 0.001 0.000 0.193 205 E C 2.412 179.081 176.600 0.115 0.000 0.989 205 E CA 1.536 58.001 56.400 0.107 0.000 0.800 205 E CB -0.400 29.383 29.700 0.138 0.000 0.746 205 E HN 0.746 nan 8.360 nan 0.000 0.452 206 A N 0.786 123.703 122.820 0.161 0.000 1.902 206 A HA -0.216 4.105 4.320 0.001 0.000 0.217 206 A C 2.026 179.699 177.584 0.149 0.000 1.181 206 A CA 1.359 53.503 52.037 0.178 0.000 0.623 206 A CB -0.706 18.433 19.000 0.232 0.000 0.818 206 A HN 0.364 nan 8.150 nan 0.000 0.443 207 Y N 1.015 121.310 120.300 -0.009 0.000 2.242 207 Y HA -0.073 4.478 4.550 0.001 0.000 0.291 207 Y C 1.804 177.646 175.900 -0.096 0.000 1.137 207 Y CA 1.428 59.490 58.100 -0.062 0.000 1.181 207 Y CB -0.129 38.270 38.460 -0.102 0.000 0.989 207 Y HN 0.431 nan 8.280 nan 0.000 0.527 208 I N -2.381 118.096 120.570 -0.156 0.000 3.883 208 I HA 0.237 4.408 4.170 0.001 0.000 0.326 208 I C 0.983 177.028 176.117 -0.120 0.000 1.283 208 I CA -0.066 61.087 61.300 -0.245 0.000 1.161 208 I CB -0.271 37.583 38.000 -0.244 0.000 1.012 208 I HN -0.021 nan 8.210 nan 0.000 0.421 209 S N 1.697 117.366 115.700 -0.051 0.000 2.568 209 S HA 0.087 4.557 4.470 0.001 0.000 0.282 209 S C 1.270 175.863 174.600 -0.011 0.000 1.338 209 S CA -0.178 58.022 58.200 -0.000 0.000 1.045 209 S CB 0.696 63.933 63.200 0.062 0.000 0.873 209 S HN 0.404 nan 8.310 nan 0.000 0.516 210 K N 1.840 122.242 120.400 0.003 0.000 2.281 210 K HA -0.099 4.221 4.320 0.001 0.000 0.203 210 K C 0.328 176.981 176.600 0.089 0.000 1.046 210 K CA 1.312 57.608 56.287 0.014 0.000 0.938 210 K CB -0.089 32.402 32.500 -0.015 0.000 0.737 210 K HN 0.589 nan 8.250 nan 0.000 0.458 211 D N 0.138 120.613 120.400 0.124 0.000 2.349 211 D HA 0.084 4.724 4.640 0.001 0.000 0.214 211 D C 0.213 176.598 176.300 0.143 0.000 1.063 211 D CA 0.056 54.183 54.000 0.211 0.000 0.847 211 D CB 0.213 41.145 40.800 0.221 0.000 0.933 211 D HN 0.098 nan 8.370 nan 0.000 0.513 212 A N 1.707 124.548 122.820 0.035 0.000 2.466 212 A HA 0.345 4.666 4.320 0.001 0.000 0.238 212 A C 0.681 178.148 177.584 -0.196 0.000 1.074 212 A CA -0.051 51.950 52.037 -0.061 0.000 0.774 212 A CB 0.188 19.130 19.000 -0.096 0.000 1.015 212 A HN 0.363 nan 8.150 nan 0.000 0.498 213 N N 0.633 119.167 118.700 -0.277 0.000 2.708 213 N HA 0.316 5.056 4.740 0.001 0.000 0.257 213 N C -2.916 172.458 175.510 -0.227 0.000 1.373 213 N CA -1.682 51.121 53.050 -0.411 0.000 0.843 213 N CB 1.280 39.157 38.487 -1.017 0.000 1.503 213 N HN 0.097 nan 8.380 nan 0.000 0.504 214 P HA -0.192 nan 4.420 nan 0.000 0.218 214 P C 1.556 178.796 177.300 -0.100 0.000 1.152 214 P CA 1.107 64.145 63.100 -0.103 0.000 0.857 214 P CB 0.271 31.914 31.700 -0.094 0.000 0.787 215 V N -1.217 118.603 119.914 -0.156 0.000 2.283 215 V HA -0.219 3.902 4.120 0.001 0.000 0.243 215 V C 2.445 178.495 176.094 -0.073 0.000 1.039 215 V CA 2.470 64.664 62.300 -0.177 0.000 1.016 215 V CB -1.792 29.846 31.823 -0.307 0.000 0.650 215 V HN 0.153 nan 8.190 nan 0.000 0.449 216 T N -0.169 114.384 114.554 -0.002 0.000 2.699 216 T HA -0.240 4.110 4.350 0.001 0.000 0.268 216 T C 1.642 176.399 174.700 0.096 0.000 1.036 216 T CA 2.010 64.178 62.100 0.113 0.000 1.147 216 T CB -0.422 68.479 68.868 0.056 0.000 0.862 216 T HN 0.487 nan 8.240 nan 0.000 0.446 217 D N 0.698 121.140 120.400 0.070 0.000 2.178 217 D HA 0.048 4.689 4.640 0.001 0.000 0.202 217 D C 2.272 178.609 176.300 0.062 0.000 0.974 217 D CA 0.961 55.053 54.000 0.153 0.000 0.841 217 D CB -0.459 40.462 40.800 0.203 0.000 0.953 217 D HN 0.422 nan 8.370 nan 0.000 0.478 218 A N 1.135 123.966 122.820 0.017 0.000 1.892 218 A HA -0.155 4.165 4.320 0.001 0.000 0.218 218 A C 2.311 179.886 177.584 -0.015 0.000 1.188 218 A CA 2.480 54.508 52.037 -0.016 0.000 0.631 218 A CB -0.698 18.281 19.000 -0.036 0.000 0.822 218 A HN 0.261 nan 8.150 nan 0.000 0.447 219 A N -0.560 122.273 122.820 0.023 0.000 1.897 219 A HA 0.287 4.607 4.320 0.001 0.000 0.215 219 A C 2.520 180.112 177.584 0.014 0.000 1.181 219 A CA 1.828 53.883 52.037 0.030 0.000 0.620 219 A CB -1.025 18.024 19.000 0.081 0.000 0.821 219 A HN 1.053 nan 8.150 nan 0.000 0.443 220 A N -0.227 122.609 122.820 0.026 0.000 1.877 220 A HA -0.160 4.161 4.320 0.001 0.000 0.216 220 A C 2.281 179.775 177.584 -0.150 0.000 1.186 220 A CA 1.944 53.977 52.037 -0.006 0.000 0.620 220 A CB -0.604 18.442 19.000 0.077 0.000 0.822 220 A HN 0.528 nan 8.150 nan 0.000 0.443 221 M N -1.496 117.959 119.600 -0.241 0.000 2.065 221 M HA -0.230 4.250 4.480 0.001 0.000 0.259 221 M C 2.512 178.700 176.300 -0.187 0.000 1.069 221 M CA 2.193 57.296 55.300 -0.328 0.000 1.110 221 M CB -0.398 32.022 32.600 -0.299 0.000 1.328 221 M HN 0.561 nan 8.290 nan 0.000 0.405 222 Q N 0.532 120.260 119.800 -0.119 0.000 2.135 222 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 222 Q C 1.903 177.860 176.000 -0.072 0.000 0.981 222 Q CA 2.249 57.998 55.803 -0.089 0.000 0.856 222 Q CB -0.270 28.427 28.738 -0.067 0.000 0.902 222 Q HN 0.489 nan 8.270 nan 0.000 0.425 223 A N 0.142 122.931 122.820 -0.051 0.000 1.902 223 A HA -0.138 4.183 4.320 0.001 0.000 0.217 223 A C 2.079 179.641 177.584 -0.036 0.000 1.181 223 A CA 1.499 53.526 52.037 -0.017 0.000 0.623 223 A CB -0.699 18.316 19.000 0.024 0.000 0.818 223 A HN 0.495 nan 8.150 nan 0.000 0.443 224 I N -1.167 119.357 120.570 -0.076 0.000 2.226 224 I HA -0.242 3.928 4.170 0.001 0.000 0.245 224 I C 2.687 178.756 176.117 -0.080 0.000 1.100 224 I CA 1.705 62.954 61.300 -0.085 0.000 1.374 224 I CB -0.313 37.604 38.000 -0.139 0.000 1.057 224 I HN 0.334 nan 8.210 nan 0.000 0.413 225 R N 1.210 121.652 120.500 -0.098 0.000 2.081 225 R HA -0.147 4.194 4.340 0.001 0.000 0.235 225 R C 2.332 178.577 176.300 -0.091 0.000 1.131 225 R CA 1.436 57.480 56.100 -0.094 0.000 0.960 225 R CB -0.189 30.048 30.300 -0.105 0.000 0.856 225 R HN 0.297 nan 8.270 nan 0.000 0.436 226 L N 0.084 121.254 121.223 -0.087 0.000 2.056 226 L HA -0.174 4.167 4.340 0.001 0.000 0.207 226 L C 2.357 179.206 176.870 -0.036 0.000 1.078 226 L CA 1.256 56.043 54.840 -0.088 0.000 0.749 226 L CB -0.285 41.747 42.059 -0.045 0.000 0.901 226 L HN 0.280 nan 8.230 nan 0.000 0.433 227 I N -0.255 120.304 120.570 -0.019 0.000 2.202 227 I HA -0.247 3.923 4.170 0.001 0.000 0.242 227 I C 2.737 178.846 176.117 -0.012 0.000 1.091 227 I CA 1.099 62.397 61.300 -0.004 0.000 1.368 227 I CB -0.412 37.587 38.000 -0.002 0.000 1.058 227 I HN 0.168 nan 8.210 nan 0.000 0.410 228 A N 0.577 123.380 122.820 -0.027 0.000 2.024 228 A HA -0.187 4.134 4.320 0.001 0.000 0.220 228 A C 2.316 179.886 177.584 -0.022 0.000 1.164 228 A CA 1.582 53.603 52.037 -0.027 0.000 0.643 228 A CB -0.490 18.488 19.000 -0.037 0.000 0.806 228 A HN 0.389 nan 8.150 nan 0.000 0.451 229 R N -1.554 118.929 120.500 -0.028 0.000 2.282 229 R HA 0.169 4.510 4.340 0.001 0.000 0.195 229 R C 0.859 177.168 176.300 0.015 0.000 0.909 229 R CA 0.581 56.668 56.100 -0.022 0.000 1.039 229 R CB 0.140 30.401 30.300 -0.064 0.000 1.015 229 R HN 0.526 nan 8.270 nan 0.000 0.513 230 N N -0.358 118.359 118.700 0.029 0.000 2.419 230 N HA -0.024 4.717 4.740 0.001 0.000 0.216 230 N C 1.348 176.883 175.510 0.043 0.000 1.118 230 N CA 0.052 53.144 53.050 0.070 0.000 0.850 230 N CB 0.403 38.976 38.487 0.143 0.000 1.292 230 N HN -0.023 nan 8.380 nan 0.000 0.467 231 L N 2.805 124.043 121.223 0.025 0.000 2.012 231 L HA -0.055 4.286 4.340 0.001 0.000 0.210 231 L C 2.352 179.228 176.870 0.010 0.000 1.073 231 L CA 1.702 56.551 54.840 0.015 0.000 0.748 231 L CB -0.540 41.522 42.059 0.006 0.000 0.891 231 L HN -0.002 nan 8.230 nan 0.000 0.431 232 R N -1.072 119.433 120.500 0.008 0.000 2.094 232 R HA -0.251 4.090 4.340 0.001 0.000 0.239 232 R C 2.243 178.548 176.300 0.009 0.000 1.137 232 R CA 2.146 58.249 56.100 0.005 0.000 0.943 232 R CB -0.333 29.969 30.300 0.004 0.000 0.850 232 R HN 0.450 nan 8.270 nan 0.000 0.433 233 Q N -0.521 119.288 119.800 0.016 0.000 2.124 233 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 233 Q C 1.941 177.949 176.000 0.012 0.000 0.977 233 Q CA 1.892 57.706 55.803 0.018 0.000 0.850 233 Q CB -0.125 28.631 28.738 0.030 0.000 0.901 233 Q HN 0.397 nan 8.270 nan 0.000 0.429 234 A N 0.041 122.869 122.820 0.013 0.000 1.970 234 A HA -0.062 4.258 4.320 0.001 0.000 0.216 234 A C 2.174 179.760 177.584 0.003 0.000 1.170 234 A CA 1.245 53.286 52.037 0.006 0.000 0.645 234 A CB -0.657 18.347 19.000 0.006 0.000 0.816 234 A HN 0.329 nan 8.150 nan 0.000 0.447 235 V N -2.741 117.175 119.914 0.004 0.000 2.719 235 V HA 0.137 4.258 4.120 0.001 0.000 0.252 235 V C 2.299 178.395 176.094 0.002 0.000 1.065 235 V CA 1.650 63.952 62.300 0.003 0.000 1.086 235 V CB -0.795 31.028 31.823 0.001 0.000 0.700 235 V HN 0.441 nan 8.190 nan 0.000 0.467 236 A N 0.266 123.088 122.820 0.003 0.000 1.930 236 A HA 0.279 4.600 4.320 0.001 0.000 0.217 236 A C 1.210 178.795 177.584 0.002 0.000 1.175 236 A CA 1.760 53.798 52.037 0.002 0.000 0.627 236 A CB -0.255 18.747 19.000 0.004 0.000 0.815 236 A HN 0.793 nan 8.150 nan 0.000 0.443 237 L N -1.700 119.524 121.223 0.001 0.000 2.620 237 L HA 0.563 4.904 4.340 0.001 0.000 0.261 237 L C 0.897 177.765 176.870 -0.003 0.000 0.978 237 L CA 0.374 55.214 54.840 -0.000 0.000 0.897 237 L CB 0.850 42.909 42.059 -0.000 0.000 1.207 237 L HN 0.122 nan 8.230 nan 0.000 0.425 238 G N 1.100 109.899 108.800 -0.003 0.000 2.432 238 G HA2 -0.233 3.728 3.960 0.001 0.000 0.219 238 G HA3 -0.233 3.728 3.960 0.001 0.000 0.219 238 G C 1.169 176.063 174.900 -0.009 0.000 1.135 238 G CA 0.980 46.078 45.100 -0.004 0.000 0.767 238 G HN 0.735 nan 8.290 nan 0.000 0.550 239 S N 0.266 115.962 115.700 -0.007 0.000 2.555 239 S HA 0.006 4.477 4.470 0.001 0.000 0.230 239 S C 1.159 175.750 174.600 -0.016 0.000 0.978 239 S CA -0.036 58.158 58.200 -0.009 0.000 0.934 239 S CB -0.209 62.988 63.200 -0.006 0.000 0.766 239 S HN 0.255 nan 8.310 nan 0.000 0.533 240 N N 2.267 120.956 118.700 -0.017 0.000 2.400 240 N HA 0.081 4.822 4.740 0.001 0.000 0.278 240 N C 0.738 176.220 175.510 -0.047 0.000 1.247 240 N CA -0.053 52.982 53.050 -0.025 0.000 0.970 240 N CB -0.016 38.462 38.487 -0.016 0.000 1.312 240 N HN 0.387 nan 8.380 nan 0.000 0.488 241 L N 2.768 123.958 121.223 -0.054 0.000 2.046 241 L HA -0.191 4.150 4.340 0.001 0.000 0.208 241 L C 2.225 179.006 176.870 -0.147 0.000 1.077 241 L CA 1.381 56.173 54.840 -0.080 0.000 0.747 241 L CB -0.113 41.910 42.059 -0.060 0.000 0.896 241 L HN 0.687 nan 8.230 nan 0.000 0.432 242 Q N -0.365 119.341 119.800 -0.156 0.000 2.061 242 Q HA -0.249 4.091 4.340 0.001 0.000 0.204 242 Q C 2.108 177.893 176.000 -0.358 0.000 0.984 242 Q CA 2.053 57.682 55.803 -0.290 0.000 0.846 242 Q CB -0.066 28.569 28.738 -0.173 0.000 0.902 242 Q HN 0.609 nan 8.270 nan 0.000 0.421 243 A N 0.601 123.342 122.820 -0.132 0.000 1.933 243 A HA -0.184 4.137 4.320 0.001 0.000 0.218 243 A C 2.074 179.611 177.584 -0.078 0.000 1.175 243 A CA 1.454 53.472 52.037 -0.032 0.000 0.628 243 A CB -0.436 18.571 19.000 0.012 0.000 0.814 243 A HN 0.237 nan 8.150 nan 0.000 0.444 244 R N 0.077 120.510 120.500 -0.112 0.000 2.083 244 R HA -0.090 4.251 4.340 0.001 0.000 0.237 244 R C 2.073 178.246 176.300 -0.212 0.000 1.137 244 R CA 1.784 57.815 56.100 -0.115 0.000 0.951 244 R CB -0.619 29.629 30.300 -0.086 0.000 0.851 244 R HN 0.741 nan 8.270 nan 0.000 0.434 245 E N -1.159 118.842 120.200 -0.331 0.000 2.033 245 E HA -0.249 4.102 4.350 0.001 0.000 0.199 245 E C 1.836 177.947 176.600 -0.814 0.000 1.011 245 E CA 1.749 57.791 56.400 -0.596 0.000 0.815 245 E CB -0.253 29.092 29.700 -0.592 0.000 0.755 245 E HN 0.326 nan 8.360 nan 0.000 0.451 246 Y N -0.372 119.692 120.300 -0.394 0.000 2.224 246 Y HA -0.172 4.379 4.550 0.001 0.000 0.289 246 Y C 2.278 178.070 175.900 -0.181 0.000 1.146 246 Y CA 0.759 58.714 58.100 -0.240 0.000 1.182 246 Y CB -0.371 38.055 38.460 -0.056 0.000 0.983 246 Y HN 0.119 nan 8.280 nan 0.000 0.524 247 M N -0.555 119.043 119.600 -0.004 0.000 2.159 247 M HA -0.140 4.341 4.480 0.001 0.000 0.263 247 M C 2.416 178.704 176.300 -0.021 0.000 1.063 247 M CA 1.516 56.818 55.300 0.002 0.000 1.110 247 M CB -1.546 31.055 32.600 0.000 0.000 1.374 247 M HN 0.272 nan 8.290 nan 0.000 0.411 248 A N -0.610 122.137 122.820 -0.121 0.000 1.902 248 A HA -0.177 4.144 4.320 0.001 0.000 0.217 248 A C 1.901 179.501 177.584 0.026 0.000 1.181 248 A CA 1.373 53.368 52.037 -0.070 0.000 0.623 248 A CB -0.924 18.000 19.000 -0.126 0.000 0.818 248 A HN 0.432 nan 8.150 nan 0.000 0.443 249 Y N -0.078 120.217 120.300 -0.008 0.000 2.200 249 Y HA 0.016 4.566 4.550 0.001 0.000 0.290 249 Y C 2.927 178.794 175.900 -0.055 0.000 1.137 249 Y CA 0.067 58.101 58.100 -0.110 0.000 1.163 249 Y CB -1.390 37.004 38.460 -0.109 0.000 0.988 249 Y HN 0.311 nan 8.280 nan 0.000 0.518 250 A N -0.596 122.307 122.820 0.138 0.000 1.883 250 A HA -0.228 4.093 4.320 0.001 0.000 0.217 250 A C 2.617 180.259 177.584 0.098 0.000 1.186 250 A CA 2.210 54.301 52.037 0.090 0.000 0.624 250 A CB -1.242 17.799 19.000 0.068 0.000 0.822 250 A HN 0.388 nan 8.150 nan 0.000 0.444 251 S N -0.889 114.875 115.700 0.106 0.000 2.368 251 S HA -0.142 4.329 4.470 0.001 0.000 0.225 251 S C 1.941 176.626 174.600 0.141 0.000 1.030 251 S CA 1.529 59.816 58.200 0.144 0.000 0.999 251 S CB -0.484 62.799 63.200 0.138 0.000 0.844 251 S HN 0.533 nan 8.310 nan 0.000 0.459 252 L N 1.565 122.850 121.223 0.102 0.000 2.017 252 L HA 0.065 4.406 4.340 0.001 0.000 0.208 252 L C 2.104 179.002 176.870 0.047 0.000 1.073 252 L CA 1.757 56.638 54.840 0.068 0.000 0.745 252 L CB -0.754 41.326 42.059 0.035 0.000 0.894 252 L HN 0.373 nan 8.230 nan 0.000 0.432 253 L N -0.327 120.919 121.223 0.038 0.000 2.046 253 L HA -0.181 4.159 4.340 0.001 0.000 0.208 253 L C 2.703 179.621 176.870 0.080 0.000 1.077 253 L CA 1.262 56.123 54.840 0.035 0.000 0.747 253 L CB -0.953 41.115 42.059 0.015 0.000 0.896 253 L HN 0.406 nan 8.230 nan 0.000 0.432 254 A N 0.144 123.039 122.820 0.125 0.000 1.978 254 A HA -0.146 4.175 4.320 0.001 0.000 0.220 254 A C 2.366 180.128 177.584 0.297 0.000 1.170 254 A CA 1.764 53.926 52.037 0.207 0.000 0.636 254 A CB -1.132 18.017 19.000 0.249 0.000 0.810 254 A HN 0.473 nan 8.150 nan 0.000 0.448 255 G N -0.945 107.978 108.800 0.206 0.000 2.403 255 G HA2 -0.127 3.833 3.960 0.001 0.000 0.216 255 G HA3 -0.127 3.833 3.960 0.001 0.000 0.216 255 G C 1.568 176.378 174.900 -0.151 0.000 1.154 255 G CA 0.976 46.130 45.100 0.090 0.000 0.784 255 G HN 0.462 nan 8.290 nan 0.000 0.538 256 M N 0.764 120.320 119.600 -0.072 0.000 2.296 256 M HA 0.100 4.581 4.480 0.001 0.000 0.265 256 M C 2.801 179.028 176.300 -0.121 0.000 1.064 256 M CA 1.096 56.315 55.300 -0.134 0.000 1.109 256 M CB 0.009 32.605 32.600 -0.007 0.000 1.396 256 M HN 0.337 nan 8.290 nan 0.000 0.430 257 A N 0.440 123.266 122.820 0.011 0.000 1.835 257 A HA -0.102 4.219 4.320 0.001 0.000 0.213 257 A C 1.828 179.452 177.584 0.065 0.000 1.210 257 A CA 1.121 53.206 52.037 0.081 0.000 0.605 257 A CB -0.974 18.115 19.000 0.149 0.000 0.860 257 A HN 0.602 nan 8.150 nan 0.000 0.447 258 F N 0.881 120.831 119.950 -0.000 0.000 2.502 258 F HA 0.013 4.541 4.527 0.001 0.000 0.298 258 F C 1.524 177.327 175.800 0.006 0.000 1.111 258 F CA 1.133 59.137 58.000 0.006 0.000 1.445 258 F CB -0.581 38.413 39.000 -0.009 0.000 1.081 258 F HN 0.312 nan 8.300 nan 0.000 0.558 259 N N 0.835 119.069 118.700 -0.777 0.000 2.381 259 N HA -0.177 4.563 4.740 0.001 0.000 0.182 259 N C 0.558 175.878 175.510 -0.317 0.000 1.025 259 N CA 1.521 54.174 53.050 -0.662 0.000 0.888 259 N CB -0.163 37.941 38.487 -0.639 0.000 0.965 259 N HN 0.548 nan 8.380 nan 0.000 0.438 260 N N -1.114 117.456 118.700 -0.217 0.000 2.239 260 N HA 0.197 4.937 4.740 0.001 0.000 0.208 260 N C 0.729 176.262 175.510 0.037 0.000 1.200 260 N CA 0.053 53.039 53.050 -0.106 0.000 0.895 260 N CB 0.709 39.073 38.487 -0.204 0.000 1.085 260 N HN 0.092 nan 8.380 nan 0.000 0.500 261 A N 0.190 123.048 122.820 0.063 0.000 2.343 261 A HA 0.285 4.606 4.320 0.001 0.000 0.223 261 A C 0.112 177.786 177.584 0.151 0.000 1.214 261 A CA -0.157 51.948 52.037 0.114 0.000 0.900 261 A CB 0.126 19.186 19.000 0.101 0.000 0.942 261 A HN 0.142 nan 8.150 nan 0.000 0.507 262 N N -1.799 117.005 118.700 0.174 0.000 6.832 262 N HA -0.164 4.577 4.740 0.001 0.000 0.417 262 N C -0.232 175.418 175.510 0.234 0.000 0.938 262 N CA 1.344 54.530 53.050 0.227 0.000 1.317 262 N CB -0.820 37.789 38.487 0.203 0.000 0.820 262 N HN 0.265 nan 8.380 nan 0.000 0.305 263 L N -1.001 120.338 121.223 0.193 0.000 2.808 263 L HA 0.846 5.186 4.340 0.001 0.000 0.222 263 L C 1.534 178.493 176.870 0.148 0.000 2.023 263 L CA 0.150 55.074 54.840 0.141 0.000 2.647 263 L CB 0.426 42.493 42.059 0.013 0.000 2.689 263 L HN 0.878 nan 8.230 nan 0.000 0.616 264 G N -2.492 106.411 108.800 0.171 0.000 2.604 264 G HA2 0.147 4.108 3.960 0.001 0.000 0.242 264 G HA3 0.147 4.108 3.960 0.001 0.000 0.242 264 G C -0.713 174.369 174.900 0.303 0.000 1.208 264 G CA -0.303 44.913 45.100 0.194 0.000 0.912 264 G HN 0.149 nan 8.290 nan 0.000 0.502 265 Y N 0.430 120.766 120.300 0.061 0.000 2.352 265 Y HA 0.020 4.570 4.550 0.001 0.000 0.292 265 Y C 3.103 178.968 175.900 -0.059 0.000 1.136 265 Y CA 0.989 59.087 58.100 -0.002 0.000 1.227 265 Y CB -0.745 37.700 38.460 -0.026 0.000 0.991 265 Y HN 0.105 nan 8.280 nan 0.000 0.545 266 V N -0.646 119.341 119.914 0.121 0.000 2.255 266 V HA -0.327 3.793 4.120 0.001 0.000 0.247 266 V C 2.058 178.069 176.094 -0.137 0.000 1.051 266 V CA 2.381 64.661 62.300 -0.033 0.000 1.018 266 V CB -0.818 30.981 31.823 -0.038 0.000 0.641 266 V HN 0.308 nan 8.190 nan 0.000 0.445 267 H N 0.125 119.116 119.070 -0.131 0.000 2.389 267 H HA 0.038 4.595 4.556 0.001 0.000 0.299 267 H C 2.272 177.394 175.328 -0.343 0.000 1.081 267 H CA 1.567 57.437 56.048 -0.297 0.000 1.345 267 H CB -0.447 29.201 29.762 -0.190 0.000 1.393 267 H HN 0.419 nan 8.280 nan 0.000 0.520 268 A N 0.328 123.162 122.820 0.023 0.000 1.940 268 A HA -0.222 4.098 4.320 0.001 0.000 0.219 268 A C 2.209 179.773 177.584 -0.032 0.000 1.176 268 A CA 1.924 53.983 52.037 0.037 0.000 0.631 268 A CB -0.497 18.526 19.000 0.038 0.000 0.814 268 A HN 0.372 nan 8.150 nan 0.000 0.446 269 M N -1.337 118.200 119.600 -0.106 0.000 2.394 269 M HA 0.066 4.547 4.480 0.001 0.000 0.266 269 M C 2.420 178.737 176.300 0.028 0.000 1.098 269 M CA 0.896 56.142 55.300 -0.090 0.000 1.149 269 M CB -0.095 32.283 32.600 -0.369 0.000 1.369 269 M HN 0.448 nan 8.290 nan 0.000 0.450 270 A N -0.260 122.491 122.820 -0.115 0.000 1.929 270 A HA -0.153 4.167 4.320 0.001 0.000 0.216 270 A C 1.605 179.210 177.584 0.034 0.000 1.176 270 A CA 1.411 53.371 52.037 -0.128 0.000 0.628 270 A CB -1.176 17.570 19.000 -0.423 0.000 0.816 270 A HN 0.533 nan 8.150 nan 0.000 0.444 271 H N -0.670 118.466 119.070 0.110 0.000 2.457 271 H HA -0.118 4.439 4.556 0.001 0.000 0.297 271 H C 2.120 177.509 175.328 0.102 0.000 1.092 271 H CA 1.081 57.213 56.048 0.140 0.000 1.309 271 H CB 0.215 30.061 29.762 0.141 0.000 1.382 271 H HN 0.430 nan 8.280 nan 0.000 0.535 272 Q N 0.543 120.464 119.800 0.201 0.000 2.137 272 Q HA -0.036 4.304 4.340 0.001 0.000 0.198 272 Q C 2.491 178.559 176.000 0.113 0.000 0.960 272 Q CA 0.659 56.534 55.803 0.120 0.000 0.847 272 Q CB -0.280 28.514 28.738 0.094 0.000 0.915 272 Q HN 0.505 nan 8.270 nan 0.000 0.448 273 L N -0.068 121.267 121.223 0.186 0.000 2.046 273 L HA -0.089 4.251 4.340 0.001 0.000 0.208 273 L C 2.221 179.211 176.870 0.200 0.000 1.077 273 L CA 1.364 56.346 54.840 0.237 0.000 0.747 273 L CB -0.770 41.451 42.059 0.271 0.000 0.896 273 L HN 0.280 nan 8.230 nan 0.000 0.432 274 G N -0.879 108.029 108.800 0.181 0.000 2.534 274 G HA2 -0.084 3.876 3.960 0.001 0.000 0.217 274 G HA3 -0.084 3.876 3.960 0.001 0.000 0.217 274 G C 1.507 176.483 174.900 0.127 0.000 1.128 274 G CA 0.586 45.789 45.100 0.171 0.000 0.784 274 G HN 0.487 nan 8.290 nan 0.000 0.542 275 G N 0.074 108.938 108.800 0.106 0.000 2.494 275 G HA2 0.125 4.086 3.960 0.001 0.000 0.216 275 G HA3 0.125 4.086 3.960 0.001 0.000 0.216 275 G C 1.508 176.421 174.900 0.021 0.000 1.140 275 G CA 0.276 45.419 45.100 0.071 0.000 0.801 275 G HN 0.405 nan 8.290 nan 0.000 0.536 276 L N -1.527 119.661 121.223 -0.058 0.000 2.630 276 L HA 0.241 4.582 4.340 0.001 0.000 0.180 276 L C 1.845 178.590 176.870 -0.209 0.000 1.221 276 L CA 0.107 54.810 54.840 -0.228 0.000 0.853 276 L CB -0.063 41.680 42.059 -0.528 0.000 1.172 276 L HN 0.128 nan 8.230 nan 0.000 0.508 277 Y N 1.049 121.389 120.300 0.067 0.000 2.519 277 Y HA -0.054 4.496 4.550 0.001 0.000 0.311 277 Y C 0.514 176.446 175.900 0.054 0.000 1.207 277 Y CA -0.421 57.711 58.100 0.053 0.000 1.289 277 Y CB -1.308 37.182 38.460 0.051 0.000 1.059 277 Y HN 0.386 nan 8.280 nan 0.000 0.507 278 D N 0.042 120.528 120.400 0.144 0.000 2.813 278 D HA -0.317 4.324 4.640 0.001 0.000 0.218 278 D C -0.090 176.293 176.300 0.138 0.000 1.240 278 D CA 0.468 54.542 54.000 0.124 0.000 0.644 278 D CB -0.930 39.923 40.800 0.088 0.000 0.966 278 D HN 0.473 nan 8.370 nan 0.000 0.398 279 M N 0.635 120.336 119.600 0.169 0.000 2.200 279 M HA 0.248 4.728 4.480 0.001 0.000 0.355 279 M C -1.984 174.385 176.300 0.115 0.000 1.283 279 M CA -1.188 54.194 55.300 0.137 0.000 1.124 279 M CB 0.689 33.380 32.600 0.153 0.000 1.625 279 M HN -0.136 nan 8.290 nan 0.000 0.463 280 P HA -0.115 nan 4.420 nan 0.000 0.261 280 P C -0.334 177.024 177.300 0.098 0.000 1.165 280 P CA 0.644 63.799 63.100 0.092 0.000 0.759 280 P CB 0.307 32.043 31.700 0.059 0.000 0.772 281 H N 3.180 122.276 119.070 0.044 0.000 2.352 281 H HA -0.130 4.427 4.556 0.001 0.000 0.299 281 H C 2.068 177.375 175.328 -0.036 0.000 1.097 281 H CA 2.516 58.580 56.048 0.028 0.000 1.311 281 H CB -0.478 29.329 29.762 0.075 0.000 1.377 281 H HN 0.540 nan 8.280 nan 0.000 0.504 282 G N -0.034 108.775 108.800 0.015 0.000 2.421 282 G HA2 -0.249 3.712 3.960 0.001 0.000 0.216 282 G HA3 -0.249 3.712 3.960 0.001 0.000 0.216 282 G C 1.826 176.658 174.900 -0.114 0.000 1.171 282 G CA 1.685 46.747 45.100 -0.064 0.000 0.775 282 G HN 0.508 nan 8.290 nan 0.000 0.543 283 V N -1.195 118.681 119.914 -0.064 0.000 2.548 283 V HA 0.233 4.354 4.120 0.001 0.000 0.249 283 V C 2.871 178.917 176.094 -0.079 0.000 1.055 283 V CA 1.693 63.959 62.300 -0.057 0.000 1.065 283 V CB -0.769 31.041 31.823 -0.021 0.000 0.681 283 V HN 0.382 nan 8.190 nan 0.000 0.462 284 A N 1.082 123.840 122.820 -0.103 0.000 1.930 284 A HA -0.183 4.138 4.320 0.001 0.000 0.217 284 A C 2.051 179.519 177.584 -0.194 0.000 1.175 284 A CA 2.165 54.140 52.037 -0.104 0.000 0.627 284 A CB -1.029 17.921 19.000 -0.083 0.000 0.815 284 A HN 0.694 nan 8.150 nan 0.000 0.443 285 N N -0.045 118.452 118.700 -0.339 0.000 2.106 285 N HA -0.042 4.698 4.740 0.001 0.000 0.188 285 N C 2.028 177.410 175.510 -0.214 0.000 1.029 285 N CA 1.096 53.921 53.050 -0.375 0.000 0.848 285 N CB -0.260 37.898 38.487 -0.548 0.000 1.007 285 N HN 0.463 nan 8.380 nan 0.000 0.423 286 A N 0.681 123.400 122.820 -0.168 0.000 1.883 286 A HA -0.148 4.172 4.320 0.001 0.000 0.217 286 A C 2.337 179.876 177.584 -0.076 0.000 1.186 286 A CA 1.435 53.407 52.037 -0.109 0.000 0.624 286 A CB -1.066 17.882 19.000 -0.086 0.000 0.822 286 A HN 0.226 nan 8.150 nan 0.000 0.444 287 V N -0.941 118.939 119.914 -0.057 0.000 2.515 287 V HA -0.132 3.989 4.120 0.001 0.000 0.250 287 V C 2.207 178.329 176.094 0.046 0.000 1.058 287 V CA 2.008 64.300 62.300 -0.013 0.000 1.064 287 V CB -0.322 31.498 31.823 -0.005 0.000 0.675 287 V HN 0.442 nan 8.190 nan 0.000 0.461 288 L N -0.968 120.256 121.223 0.001 0.000 2.375 288 L HA 0.121 4.461 4.340 0.001 0.000 0.215 288 L C 2.020 178.893 176.870 0.006 0.000 1.108 288 L CA 1.260 56.106 54.840 0.010 0.000 0.830 288 L CB -0.596 41.410 42.059 -0.090 0.000 0.959 288 L HN 0.263 nan 8.230 nan 0.000 0.457 289 L N 0.385 121.583 121.223 -0.042 0.000 1.978 289 L HA -0.232 4.109 4.340 0.001 0.000 0.218 289 L C -0.277 176.572 176.870 -0.035 0.000 1.075 289 L CA 2.014 56.830 54.840 -0.040 0.000 0.767 289 L CB -1.216 40.809 42.059 -0.057 0.000 0.890 289 L HN 0.234 nan 8.230 nan 0.000 0.434 290 P HA -0.148 nan 4.420 nan 0.000 0.216 290 P C 0.973 178.143 177.300 -0.215 0.000 1.150 290 P CA 1.624 64.605 63.100 -0.198 0.000 0.837 290 P CB -0.134 31.353 31.700 -0.355 0.000 0.786 291 H N -1.590 117.455 119.070 -0.043 0.000 2.395 291 H HA -0.030 4.527 4.556 0.001 0.000 0.299 291 H C 1.744 177.057 175.328 -0.026 0.000 1.070 291 H CA 0.866 56.886 56.048 -0.047 0.000 1.356 291 H CB -0.704 29.012 29.762 -0.075 0.000 1.401 291 H HN -0.091 nan 8.280 nan 0.000 0.524 292 V N 0.558 120.520 119.914 0.081 0.000 2.591 292 V HA -0.131 3.990 4.120 0.001 0.000 0.249 292 V C 2.500 178.679 176.094 0.141 0.000 1.053 292 V CA 1.171 63.532 62.300 0.101 0.000 1.068 292 V CB -0.735 31.128 31.823 0.065 0.000 0.689 292 V HN 0.544 nan 8.190 nan 0.000 0.462 293 A N 1.021 123.897 122.820 0.093 0.000 1.865 293 A HA -0.288 4.032 4.320 0.001 0.000 0.217 293 A C 2.393 179.856 177.584 -0.202 0.000 1.191 293 A CA 2.300 54.389 52.037 0.087 0.000 0.623 293 A CB -0.616 18.473 19.000 0.148 0.000 0.826 293 A HN 0.514 nan 8.150 nan 0.000 0.444 294 R N -2.064 118.346 120.500 -0.150 0.000 2.105 294 R HA -0.220 4.121 4.340 0.001 0.000 0.239 294 R C 2.037 178.273 176.300 -0.108 0.000 1.135 294 R CA 2.057 58.049 56.100 -0.180 0.000 0.967 294 R CB -0.573 29.674 30.300 -0.088 0.000 0.861 294 R HN 0.608 nan 8.270 nan 0.000 0.442 295 Y N 1.349 121.578 120.300 -0.118 0.000 2.181 295 Y HA -0.136 4.414 4.550 0.001 0.000 0.288 295 Y C 1.505 177.341 175.900 -0.108 0.000 1.146 295 Y CA 1.974 60.025 58.100 -0.081 0.000 1.164 295 Y CB -0.185 38.260 38.460 -0.026 0.000 0.982 295 Y HN 0.166 nan 8.280 nan 0.000 0.515 296 N N 0.551 119.195 118.700 -0.093 0.000 2.457 296 N HA -0.114 4.627 4.740 0.001 0.000 0.180 296 N C 1.926 177.335 175.510 -0.169 0.000 1.050 296 N CA 0.826 53.806 53.050 -0.117 0.000 0.906 296 N CB -0.493 38.079 38.487 0.142 0.000 0.968 296 N HN 0.479 nan 8.380 nan 0.000 0.445 297 L N 1.365 122.312 121.223 -0.460 0.000 2.010 297 L HA -0.228 4.112 4.340 0.001 0.000 0.219 297 L C 1.897 178.636 176.870 -0.218 0.000 1.077 297 L CA 1.586 56.064 54.840 -0.604 0.000 0.773 297 L CB -0.366 41.358 42.059 -0.559 0.000 0.892 297 L HN 0.212 nan 8.230 nan 0.000 0.436 298 I N -2.919 117.528 120.570 -0.205 0.000 2.916 298 I HA -0.091 4.080 4.170 0.001 0.000 0.267 298 I C 2.198 178.251 176.117 -0.107 0.000 1.263 298 I CA 1.207 62.422 61.300 -0.142 0.000 1.471 298 I CB -0.611 37.294 38.000 -0.157 0.000 1.089 298 I HN 0.185 nan 8.210 nan 0.000 0.468 299 A N 1.013 123.774 122.820 -0.099 0.000 2.016 299 A HA 0.025 4.345 4.320 0.001 0.000 0.217 299 A C 1.125 178.700 177.584 -0.015 0.000 1.162 299 A CA 0.941 52.937 52.037 -0.069 0.000 0.662 299 A CB -0.219 18.729 19.000 -0.086 0.000 0.812 299 A HN 0.548 nan 8.150 nan 0.000 0.450 300 N N -1.656 117.080 118.700 0.061 0.000 2.946 300 N HA 0.204 4.945 4.740 0.001 0.000 0.213 300 N C -2.785 172.838 175.510 0.188 0.000 1.440 300 N CA -0.955 52.140 53.050 0.075 0.000 0.745 300 N CB 0.958 39.449 38.487 0.006 0.000 1.471 300 N HN -0.157 nan 8.380 nan 0.000 0.569 301 P HA -0.061 nan 4.420 nan 0.000 0.216 301 P C 0.784 178.164 177.300 0.133 0.000 1.150 301 P CA 1.243 64.415 63.100 0.120 0.000 0.837 301 P CB 0.645 32.366 31.700 0.035 0.000 0.786 302 E N -0.255 119.988 120.200 0.072 0.000 2.110 302 E HA -0.157 4.194 4.350 0.001 0.000 0.193 302 E C 1.859 178.496 176.600 0.061 0.000 0.988 302 E CA 1.220 57.650 56.400 0.050 0.000 0.804 302 E CB -0.554 29.156 29.700 0.016 0.000 0.745 302 E HN 0.258 nan 8.360 nan 0.000 0.458 303 K N -0.765 119.651 120.400 0.026 0.000 2.228 303 K HA 0.009 4.330 4.320 0.001 0.000 0.202 303 K C 1.596 178.214 176.600 0.030 0.000 1.051 303 K CA 0.532 56.807 56.287 -0.019 0.000 0.960 303 K CB -0.038 32.266 32.500 -0.327 0.000 0.743 303 K HN 0.128 nan 8.250 nan 0.000 0.458 304 F N 0.794 120.780 119.950 0.059 0.000 2.325 304 F HA -0.078 4.450 4.527 0.001 0.000 0.299 304 F C 2.320 178.146 175.800 0.044 0.000 1.090 304 F CA 0.715 58.749 58.000 0.056 0.000 1.392 304 F CB -0.110 38.899 39.000 0.015 0.000 1.053 304 F HN 0.014 nan 8.300 nan 0.000 0.521 305 A N 0.069 123.006 122.820 0.194 0.000 1.902 305 A HA -0.192 4.129 4.320 0.001 0.000 0.217 305 A C 1.960 179.595 177.584 0.083 0.000 1.181 305 A CA 2.007 54.111 52.037 0.112 0.000 0.623 305 A CB -0.753 18.294 19.000 0.079 0.000 0.818 305 A HN 0.233 nan 8.150 nan 0.000 0.443 306 D N 0.200 120.656 120.400 0.093 0.000 2.104 306 D HA -0.159 4.482 4.640 0.001 0.000 0.194 306 D C 1.831 178.138 176.300 0.012 0.000 0.994 306 D CA 1.382 55.424 54.000 0.069 0.000 0.830 306 D CB -0.417 40.481 40.800 0.163 0.000 0.959 306 D HN 0.543 nan 8.370 nan 0.000 0.452 307 I N 1.220 121.806 120.570 0.026 0.000 2.163 307 I HA -0.282 3.889 4.170 0.001 0.000 0.243 307 I C 2.536 178.654 176.117 0.002 0.000 1.085 307 I CA 1.106 62.390 61.300 -0.026 0.000 1.347 307 I CB -0.276 37.718 38.000 -0.011 0.000 1.044 307 I HN -0.071 nan 8.210 nan 0.000 0.408 308 A N 0.388 123.235 122.820 0.046 0.000 1.873 308 A HA -0.317 4.004 4.320 0.001 0.000 0.218 308 A C 2.291 179.878 177.584 0.005 0.000 1.193 308 A CA 2.268 54.325 52.037 0.033 0.000 0.629 308 A CB -0.825 18.203 19.000 0.046 0.000 0.826 308 A HN 0.481 nan 8.150 nan 0.000 0.447 309 E N -0.929 119.272 120.200 0.003 0.000 2.070 309 E HA -0.213 4.138 4.350 0.001 0.000 0.197 309 E C 1.833 178.415 176.600 -0.031 0.000 1.004 309 E CA 1.340 57.733 56.400 -0.011 0.000 0.805 309 E CB -0.171 29.524 29.700 -0.008 0.000 0.744 309 E HN 0.370 nan 8.360 nan 0.000 0.451 310 L N 0.142 121.334 121.223 -0.051 0.000 2.131 310 L HA -0.127 4.213 4.340 0.001 0.000 0.210 310 L C 2.128 178.960 176.870 -0.063 0.000 1.092 310 L CA 1.608 56.401 54.840 -0.078 0.000 0.759 310 L CB -0.470 41.511 42.059 -0.131 0.000 0.903 310 L HN 0.323 nan 8.230 nan 0.000 0.435 311 M N -1.651 117.922 119.600 -0.045 0.000 2.618 311 M HA 0.166 4.647 4.480 0.001 0.000 0.240 311 M C 1.217 177.501 176.300 -0.026 0.000 1.123 311 M CA 0.721 56.001 55.300 -0.034 0.000 1.060 311 M CB -0.039 32.548 32.600 -0.021 0.000 1.535 311 M HN 0.408 nan 8.290 nan 0.000 0.507 312 G N 0.353 109.138 108.800 -0.026 0.000 2.141 312 G HA2 -0.156 3.804 3.960 0.001 0.000 0.231 312 G HA3 -0.156 3.804 3.960 0.001 0.000 0.231 312 G C -0.214 174.678 174.900 -0.014 0.000 0.984 312 G CA -0.413 44.674 45.100 -0.022 0.000 0.660 312 G HN 0.410 nan 8.290 nan 0.000 0.525 313 E N 0.373 120.568 120.200 -0.009 0.000 2.366 313 E HA 0.242 4.592 4.350 0.001 0.000 0.266 313 E C 0.220 176.818 176.600 -0.003 0.000 1.051 313 E CA -0.603 55.795 56.400 -0.004 0.000 0.884 313 E CB 0.767 30.468 29.700 0.002 0.000 1.006 313 E HN 0.266 nan 8.360 nan 0.000 0.417 314 N N 2.474 121.173 118.700 -0.002 0.000 2.422 314 N HA 0.049 4.790 4.740 0.001 0.000 0.264 314 N C -0.054 175.456 175.510 0.001 0.000 1.063 314 N CA -0.099 52.950 53.050 -0.002 0.000 0.959 314 N CB 0.329 38.815 38.487 -0.002 0.000 1.087 314 N HN 0.286 nan 8.380 nan 0.000 0.483 315 I N 2.308 122.879 120.570 0.002 0.000 4.154 315 I HA 0.021 4.192 4.170 0.001 0.000 0.334 315 I C 1.624 177.744 176.117 0.004 0.000 1.371 315 I CA 0.227 61.530 61.300 0.006 0.000 1.110 315 I CB -1.188 36.818 38.000 0.010 0.000 1.085 315 I HN 0.471 nan 8.210 nan 0.000 0.398 316 T N 1.758 116.313 114.554 0.002 0.000 2.572 316 T HA -0.256 4.095 4.350 0.001 0.000 0.258 316 T C 1.591 176.292 174.700 0.002 0.000 1.154 316 T CA 2.344 64.445 62.100 0.001 0.000 1.157 316 T CB -0.470 68.398 68.868 -0.000 0.000 0.856 316 T HN 0.524 nan 8.240 nan 0.000 0.443 317 G N 0.041 108.842 108.800 0.001 0.000 3.393 317 G HA2 0.509 4.470 3.960 0.001 0.000 0.255 317 G HA3 0.509 4.470 3.960 0.001 0.000 0.255 317 G C 0.167 175.068 174.900 0.001 0.000 1.097 317 G CA -0.355 44.745 45.100 0.001 0.000 0.780 317 G HN 0.370 nan 8.290 nan 0.000 0.540 318 L N 1.717 122.941 121.223 0.003 0.000 2.379 318 L HA 0.415 4.755 4.340 0.001 0.000 0.269 318 L C 0.983 177.855 176.870 0.004 0.000 1.084 318 L CA -0.828 54.014 54.840 0.003 0.000 0.802 318 L CB 1.548 43.609 42.059 0.004 0.000 1.175 318 L HN 0.157 nan 8.230 nan 0.000 0.448 319 S N -0.425 115.276 115.700 0.002 0.000 2.579 319 S HA 0.056 4.527 4.470 0.001 0.000 0.275 319 S C 1.104 175.707 174.600 0.006 0.000 1.345 319 S CA -0.398 57.804 58.200 0.002 0.000 1.031 319 S CB 1.104 64.303 63.200 -0.002 0.000 0.892 319 S HN 0.683 nan 8.310 nan 0.000 0.529 320 T N 2.477 117.036 114.554 0.008 0.000 2.653 320 T HA -0.176 4.175 4.350 0.001 0.000 0.268 320 T C 1.681 176.391 174.700 0.016 0.000 1.035 320 T CA 1.990 64.100 62.100 0.017 0.000 1.154 320 T CB -0.703 68.175 68.868 0.017 0.000 0.862 320 T HN 0.552 nan 8.240 nan 0.000 0.441 321 L N 0.757 121.981 121.223 0.002 0.000 2.017 321 L HA -0.136 4.205 4.340 0.001 0.000 0.208 321 L C 2.615 179.478 176.870 -0.012 0.000 1.073 321 L CA 1.329 56.163 54.840 -0.011 0.000 0.745 321 L CB -0.626 41.421 42.059 -0.020 0.000 0.894 321 L HN 0.165 nan 8.230 nan 0.000 0.432 322 D N 0.124 120.520 120.400 -0.006 0.000 2.149 322 D HA -0.171 4.469 4.640 0.001 0.000 0.198 322 D C 2.196 178.497 176.300 0.003 0.000 0.990 322 D CA 1.551 55.548 54.000 -0.005 0.000 0.839 322 D CB -0.025 40.774 40.800 -0.003 0.000 0.948 322 D HN 0.342 nan 8.370 nan 0.000 0.460 323 A N 0.872 123.700 122.820 0.013 0.000 1.930 323 A HA 0.039 4.359 4.320 0.001 0.000 0.217 323 A C 2.304 179.915 177.584 0.046 0.000 1.175 323 A CA 1.865 53.918 52.037 0.027 0.000 0.627 323 A CB -0.565 18.453 19.000 0.031 0.000 0.815 323 A HN 0.222 nan 8.150 nan 0.000 0.443 324 A N -0.355 122.494 122.820 0.049 0.000 1.902 324 A HA -0.171 4.149 4.320 0.001 0.000 0.217 324 A C 1.954 179.543 177.584 0.008 0.000 1.181 324 A CA 1.674 53.752 52.037 0.069 0.000 0.623 324 A CB -0.483 18.534 19.000 0.029 0.000 0.818 324 A HN 0.448 nan 8.150 nan 0.000 0.443 325 E N 0.172 120.357 120.200 -0.024 0.000 2.097 325 E HA -0.211 4.140 4.350 0.001 0.000 0.196 325 E C 1.940 178.530 176.600 -0.017 0.000 1.000 325 E CA 1.399 57.776 56.400 -0.038 0.000 0.804 325 E CB -0.259 29.422 29.700 -0.032 0.000 0.740 325 E HN 0.628 nan 8.360 nan 0.000 0.454 326 K N -0.029 120.373 120.400 0.004 0.000 2.211 326 K HA -0.048 4.272 4.320 0.001 0.000 0.203 326 K C 2.077 178.690 176.600 0.022 0.000 1.050 326 K CA 0.823 57.116 56.287 0.009 0.000 0.945 326 K CB -0.037 32.470 32.500 0.012 0.000 0.732 326 K HN 0.029 nan 8.250 nan 0.000 0.451 327 A N 1.650 124.503 122.820 0.056 0.000 1.930 327 A HA -0.141 4.179 4.320 0.001 0.000 0.217 327 A C 2.002 179.630 177.584 0.074 0.000 1.175 327 A CA 1.116 53.211 52.037 0.096 0.000 0.627 327 A CB -0.351 18.779 19.000 0.217 0.000 0.815 327 A HN 0.090 nan 8.150 nan 0.000 0.443 328 I N 0.047 120.634 120.570 0.030 0.000 2.202 328 I HA -0.200 3.970 4.170 0.001 0.000 0.242 328 I C 2.951 179.044 176.117 -0.040 0.000 1.091 328 I CA 1.428 62.713 61.300 -0.025 0.000 1.368 328 I CB -1.879 36.068 38.000 -0.088 0.000 1.058 328 I HN 0.331 nan 8.210 nan 0.000 0.410 329 A N 1.468 124.268 122.820 -0.033 0.000 1.892 329 A HA -0.206 4.114 4.320 0.001 0.000 0.218 329 A C 2.625 180.194 177.584 -0.026 0.000 1.188 329 A CA 2.711 54.728 52.037 -0.032 0.000 0.631 329 A CB -1.017 17.970 19.000 -0.022 0.000 0.822 329 A HN 0.452 nan 8.150 nan 0.000 0.447 330 A N -0.234 122.579 122.820 -0.012 0.000 1.883 330 A HA -0.138 4.183 4.320 0.001 0.000 0.217 330 A C 2.162 179.736 177.584 -0.016 0.000 1.186 330 A CA 1.664 53.696 52.037 -0.009 0.000 0.624 330 A CB -0.678 18.322 19.000 0.001 0.000 0.822 330 A HN 0.527 nan 8.150 nan 0.000 0.444 331 I N -0.536 120.026 120.570 -0.014 0.000 2.163 331 I HA -0.254 3.916 4.170 0.001 0.000 0.243 331 I C 2.905 178.993 176.117 -0.048 0.000 1.085 331 I CA 1.987 63.273 61.300 -0.024 0.000 1.347 331 I CB -0.457 37.536 38.000 -0.012 0.000 1.044 331 I HN 0.532 nan 8.210 nan 0.000 0.408 332 T N -0.036 114.479 114.554 -0.066 0.000 2.867 332 T HA -0.186 4.165 4.350 0.001 0.000 0.268 332 T C 2.140 176.807 174.700 -0.055 0.000 1.057 332 T CA 1.043 63.095 62.100 -0.081 0.000 1.136 332 T CB -0.195 68.603 68.868 -0.116 0.000 0.874 332 T HN 0.206 nan 8.240 nan 0.000 0.466 333 R N -0.118 120.358 120.500 -0.040 0.000 2.083 333 R HA -0.064 4.277 4.340 0.001 0.000 0.237 333 R C 2.480 178.764 176.300 -0.026 0.000 1.137 333 R CA 1.782 57.865 56.100 -0.028 0.000 0.951 333 R CB -0.780 29.508 30.300 -0.021 0.000 0.851 333 R HN 0.472 nan 8.270 nan 0.000 0.434 334 L N 0.552 121.760 121.223 -0.026 0.000 2.046 334 L HA -0.139 4.202 4.340 0.001 0.000 0.208 334 L C 2.324 179.177 176.870 -0.028 0.000 1.077 334 L CA 2.080 56.906 54.840 -0.024 0.000 0.747 334 L CB -0.818 41.228 42.059 -0.023 0.000 0.896 334 L HN 0.050 nan 8.230 nan 0.000 0.432 335 S N -0.990 114.687 115.700 -0.038 0.000 2.356 335 S HA -0.215 4.256 4.470 0.001 0.000 0.223 335 S C 2.000 176.577 174.600 -0.038 0.000 1.032 335 S CA 1.816 59.989 58.200 -0.044 0.000 1.005 335 S CB -0.234 62.929 63.200 -0.061 0.000 0.867 335 S HN 0.550 nan 8.310 nan 0.000 0.449 336 M N 0.697 120.275 119.600 -0.037 0.000 2.132 336 M HA -0.068 4.413 4.480 0.001 0.000 0.263 336 M C 1.753 178.042 176.300 -0.019 0.000 1.065 336 M CA 1.367 56.649 55.300 -0.029 0.000 1.122 336 M CB -0.512 32.072 32.600 -0.026 0.000 1.365 336 M HN 0.204 nan 8.290 nan 0.000 0.411 337 D N 0.980 121.370 120.400 -0.017 0.000 2.149 337 D HA -0.138 4.503 4.640 0.001 0.000 0.198 337 D C 1.716 178.010 176.300 -0.010 0.000 0.990 337 D CA 1.337 55.330 54.000 -0.012 0.000 0.839 337 D CB -0.307 40.487 40.800 -0.011 0.000 0.948 337 D HN 0.563 nan 8.370 nan 0.000 0.460 338 I N -4.233 116.330 120.570 -0.013 0.000 3.684 338 I HA 0.310 4.481 4.170 0.001 0.000 0.304 338 I C 1.177 177.288 176.117 -0.011 0.000 1.278 338 I CA 0.587 61.880 61.300 -0.011 0.000 1.272 338 I CB 0.173 38.166 38.000 -0.011 0.000 1.029 338 I HN 0.028 nan 8.210 nan 0.000 0.458 339 G N 1.978 110.771 108.800 -0.013 0.000 2.134 339 G HA2 -0.156 3.805 3.960 0.001 0.000 0.209 339 G HA3 -0.156 3.805 3.960 0.001 0.000 0.209 339 G C 0.020 174.911 174.900 -0.015 0.000 0.993 339 G CA -0.224 44.869 45.100 -0.012 0.000 0.669 339 G HN 0.277 nan 8.290 nan 0.000 0.519 340 I N 2.200 122.757 120.570 -0.023 0.000 2.618 340 I HA 0.186 4.357 4.170 0.001 0.000 0.284 340 I C -1.255 174.844 176.117 -0.031 0.000 1.146 340 I CA -2.282 59.000 61.300 -0.029 0.000 1.425 340 I CB -0.147 37.830 38.000 -0.039 0.000 1.383 340 I HN 0.016 nan 8.210 nan 0.000 0.562 341 P HA 0.073 nan 4.420 nan 0.000 0.267 341 P C -0.003 177.264 177.300 -0.055 0.000 1.205 341 P CA -0.253 62.833 63.100 -0.023 0.000 0.765 341 P CB 0.843 32.533 31.700 -0.017 0.000 0.828 342 Q N 1.114 120.856 119.800 -0.095 0.000 2.398 342 Q HA -0.005 4.335 4.340 0.001 0.000 0.204 342 Q C -0.015 175.706 176.000 -0.465 0.000 0.932 342 Q CA 1.060 56.697 55.803 -0.277 0.000 0.916 342 Q CB -0.069 28.443 28.738 -0.376 0.000 1.024 342 Q HN 0.690 nan 8.270 nan 0.000 0.504 343 H N -0.824 118.226 119.070 -0.033 0.000 2.609 343 H HA 0.244 4.800 4.556 0.001 0.000 0.344 343 H C 0.776 176.022 175.328 -0.136 0.000 1.040 343 H CA -0.400 55.597 56.048 -0.085 0.000 1.216 343 H CB 1.568 31.245 29.762 -0.141 0.000 1.529 343 H HN -0.146 nan 8.280 nan 0.000 0.519 344 L N 1.404 122.619 121.223 -0.013 0.000 2.187 344 L HA -0.172 4.169 4.340 0.001 0.000 0.213 344 L C 2.681 179.414 176.870 -0.228 0.000 1.100 344 L CA 1.167 55.989 54.840 -0.030 0.000 0.765 344 L CB -0.182 41.982 42.059 0.175 0.000 0.904 344 L HN 0.627 nan 8.230 nan 0.000 0.437 345 R N 0.338 120.473 120.500 -0.610 0.000 2.117 345 R HA -0.213 4.127 4.340 0.001 0.000 0.243 345 R C 1.600 177.671 176.300 -0.382 0.000 1.143 345 R CA 1.995 57.549 56.100 -0.909 0.000 0.968 345 R CB -0.164 29.379 30.300 -1.262 0.000 0.863 345 R HN 0.427 nan 8.270 nan 0.000 0.444 346 D N -0.054 120.203 120.400 -0.239 0.000 2.289 346 D HA -0.068 4.572 4.640 0.001 0.000 0.207 346 D C 1.097 177.328 176.300 -0.115 0.000 0.966 346 D CA 0.450 54.366 54.000 -0.140 0.000 0.868 346 D CB 0.241 40.994 40.800 -0.079 0.000 0.943 346 D HN 0.211 nan 8.370 nan 0.000 0.514 347 L N 0.239 121.385 121.223 -0.128 0.000 2.645 347 L HA 0.151 4.491 4.340 0.001 0.000 0.235 347 L C 1.597 178.353 176.870 -0.189 0.000 1.150 347 L CA 0.565 55.334 54.840 -0.118 0.000 0.911 347 L CB -1.016 40.990 42.059 -0.089 0.000 1.077 347 L HN 0.085 nan 8.230 nan 0.000 0.438 348 G N -0.429 108.248 108.800 -0.206 0.000 2.148 348 G HA2 -0.267 3.694 3.960 0.001 0.000 0.254 348 G HA3 -0.267 3.694 3.960 0.001 0.000 0.254 348 G C 0.451 175.078 174.900 -0.456 0.000 0.981 348 G CA 0.301 45.262 45.100 -0.232 0.000 0.670 348 G HN 0.185 nan 8.290 nan 0.000 0.528 349 V N 0.222 119.816 119.914 -0.533 0.000 2.740 349 V HA 0.406 4.527 4.120 0.001 0.000 0.303 349 V C 0.760 176.825 176.094 -0.049 0.000 1.054 349 V CA 0.497 62.419 62.300 -0.630 0.000 1.106 349 V CB 1.378 33.097 31.823 -0.173 0.000 0.957 349 V HN 0.372 nan 8.190 nan 0.000 0.486 350 K N 2.781 123.186 120.400 0.008 0.000 2.324 350 K HA 0.390 4.710 4.320 0.001 0.000 0.253 350 K C 0.686 176.995 176.600 -0.485 0.000 0.932 350 K CA -0.616 55.634 56.287 -0.063 0.000 0.799 350 K CB 2.121 34.622 32.500 0.002 0.000 1.154 350 K HN 0.610 nan 8.250 nan 0.000 0.425 351 E N 0.292 119.996 120.200 -0.826 0.000 2.150 351 E HA -0.156 4.195 4.350 0.001 0.000 0.193 351 E C 1.302 177.363 176.600 -0.898 0.000 0.985 351 E CA 1.710 57.246 56.400 -1.440 0.000 0.814 351 E CB 0.092 29.146 29.700 -1.078 0.000 0.752 351 E HN 0.728 nan 8.360 nan 0.000 0.466 352 T N -0.408 113.873 114.554 -0.456 0.000 2.929 352 T HA -0.123 4.228 4.350 0.001 0.000 0.271 352 T C 1.192 175.799 174.700 -0.156 0.000 1.085 352 T CA 1.000 62.958 62.100 -0.237 0.000 1.125 352 T CB -0.055 68.724 68.868 -0.148 0.000 0.874 352 T HN -0.017 nan 8.240 nan 0.000 0.494 353 D N 0.184 120.475 120.400 -0.181 0.000 2.349 353 D HA 0.125 4.766 4.640 0.001 0.000 0.215 353 D C 1.295 177.643 176.300 0.081 0.000 1.016 353 D CA 0.103 54.096 54.000 -0.013 0.000 0.870 353 D CB -0.178 40.643 40.800 0.035 0.000 0.917 353 D HN 0.296 nan 8.370 nan 0.000 0.524 354 F N 1.271 121.150 119.950 -0.118 0.000 2.095 354 F HA -0.070 4.458 4.527 0.001 0.000 0.298 354 F C -0.323 175.451 175.800 -0.042 0.000 1.104 354 F CA 0.395 58.294 58.000 -0.169 0.000 1.232 354 F CB -2.156 36.785 39.000 -0.098 0.000 0.987 354 F HN 0.082 nan 8.300 nan 0.000 0.475 355 P HA -0.221 nan 4.420 nan 0.000 0.215 355 P C 1.715 179.100 177.300 0.142 0.000 1.157 355 P CA 1.550 64.739 63.100 0.149 0.000 0.868 355 P CB -0.413 31.357 31.700 0.117 0.000 0.788 356 Y N -0.191 120.125 120.300 0.027 0.000 2.181 356 Y HA -0.179 4.372 4.550 0.001 0.000 0.288 356 Y C 2.261 178.175 175.900 0.023 0.000 1.146 356 Y CA 1.639 59.747 58.100 0.013 0.000 1.164 356 Y CB -0.999 37.452 38.460 -0.015 0.000 0.982 356 Y HN -0.204 nan 8.280 nan 0.000 0.515 357 M N -0.232 119.258 119.600 -0.184 0.000 2.149 357 M HA -0.230 4.251 4.480 0.001 0.000 0.261 357 M C 2.427 178.703 176.300 -0.040 0.000 1.064 357 M CA 1.710 56.870 55.300 -0.233 0.000 1.102 357 M CB -0.535 31.919 32.600 -0.243 0.000 1.369 357 M HN 0.511 nan 8.290 nan 0.000 0.408 358 A N -0.089 122.770 122.820 0.065 0.000 1.873 358 A HA -0.209 4.112 4.320 0.001 0.000 0.215 358 A C 1.966 179.517 177.584 -0.055 0.000 1.186 358 A CA 1.838 53.908 52.037 0.055 0.000 0.616 358 A CB -0.823 18.216 19.000 0.066 0.000 0.823 358 A HN 0.566 nan 8.150 nan 0.000 0.442 359 E N -0.703 119.460 120.200 -0.062 0.000 2.070 359 E HA -0.248 4.102 4.350 0.001 0.000 0.197 359 E C 1.995 178.535 176.600 -0.099 0.000 1.004 359 E CA 1.803 58.165 56.400 -0.063 0.000 0.805 359 E CB -0.202 29.481 29.700 -0.029 0.000 0.744 359 E HN 0.489 nan 8.360 nan 0.000 0.451 360 M N 0.185 119.667 119.600 -0.197 0.000 2.132 360 M HA -0.086 4.395 4.480 0.001 0.000 0.263 360 M C 2.494 178.743 176.300 -0.085 0.000 1.065 360 M CA 1.354 56.551 55.300 -0.172 0.000 1.122 360 M CB -1.093 31.316 32.600 -0.318 0.000 1.365 360 M HN 0.220 nan 8.290 nan 0.000 0.411 361 A N 0.363 123.128 122.820 -0.091 0.000 1.940 361 A HA -0.148 4.172 4.320 0.001 0.000 0.219 361 A C 2.300 179.809 177.584 -0.124 0.000 1.176 361 A CA 1.245 53.226 52.037 -0.093 0.000 0.631 361 A CB -0.955 17.959 19.000 -0.143 0.000 0.814 361 A HN 0.459 nan 8.150 nan 0.000 0.446 362 L N -1.092 120.054 121.223 -0.128 0.000 2.131 362 L HA -0.167 4.174 4.340 0.001 0.000 0.210 362 L C 2.347 179.225 176.870 0.014 0.000 1.092 362 L CA 1.708 56.498 54.840 -0.083 0.000 0.759 362 L CB -0.267 41.761 42.059 -0.052 0.000 0.903 362 L HN 0.435 nan 8.230 nan 0.000 0.435 363 K N -0.615 119.794 120.400 0.015 0.000 2.243 363 K HA -0.070 4.251 4.320 0.001 0.000 0.201 363 K C 0.401 177.044 176.600 0.071 0.000 1.051 363 K CA -0.095 56.221 56.287 0.049 0.000 0.970 363 K CB -0.044 32.476 32.500 0.034 0.000 0.755 363 K HN 0.206 nan 8.250 nan 0.000 0.465 364 D N -0.041 120.400 120.400 0.069 0.000 2.506 364 D HA -0.062 4.579 4.640 0.001 0.000 0.234 364 D C 1.260 177.643 176.300 0.138 0.000 1.143 364 D CA 0.388 54.453 54.000 0.109 0.000 0.871 364 D CB 1.038 41.922 40.800 0.141 0.000 1.190 364 D HN 0.179 nan 8.370 nan 0.000 0.459 365 G N 2.975 111.851 108.800 0.128 0.000 2.485 365 G HA2 -0.326 3.635 3.960 0.001 0.000 0.221 365 G HA3 -0.326 3.635 3.960 0.001 0.000 0.221 365 G C 1.224 176.227 174.900 0.173 0.000 1.115 365 G CA 0.688 45.863 45.100 0.125 0.000 0.751 365 G HN 0.648 nan 8.290 nan 0.000 0.567 366 N N 0.316 119.134 118.700 0.198 0.000 2.494 366 N HA 0.219 4.959 4.740 0.001 0.000 0.182 366 N C 2.255 177.921 175.510 0.260 0.000 1.076 366 N CA 0.467 53.647 53.050 0.216 0.000 0.908 366 N CB 0.037 38.655 38.487 0.219 0.000 0.967 366 N HN 0.334 nan 8.380 nan 0.000 0.449 367 A N 0.235 123.217 122.820 0.269 0.000 2.014 367 A HA -0.089 4.232 4.320 0.001 0.000 0.218 367 A C 1.798 179.601 177.584 0.364 0.000 1.163 367 A CA 0.679 52.926 52.037 0.350 0.000 0.652 367 A CB -0.648 18.487 19.000 0.225 0.000 0.808 367 A HN 0.382 nan 8.150 nan 0.000 0.449 368 F N 1.885 121.938 119.950 0.171 0.000 2.186 368 F HA -0.169 4.359 4.527 0.001 0.000 0.299 368 F C 2.529 178.390 175.800 0.103 0.000 1.090 368 F CA 1.965 60.042 58.000 0.128 0.000 1.307 368 F CB -0.006 39.052 39.000 0.097 0.000 1.019 368 F HN 0.294 nan 8.300 nan 0.000 0.489 369 S N -0.963 114.875 115.700 0.230 0.000 2.558 369 S HA -0.053 4.418 4.470 0.001 0.000 0.217 369 S C 0.852 175.461 174.600 0.016 0.000 0.975 369 S CA -0.295 57.983 58.200 0.131 0.000 0.912 369 S CB -0.981 62.345 63.200 0.210 0.000 0.776 369 S HN 0.433 nan 8.310 nan 0.000 0.526 370 N N 3.378 122.072 118.700 -0.010 0.000 2.356 370 N HA 0.009 4.750 4.740 0.001 0.000 0.252 370 N C -1.561 173.828 175.510 -0.201 0.000 1.241 370 N CA -0.657 52.307 53.050 -0.144 0.000 0.861 370 N CB 1.067 39.310 38.487 -0.406 0.000 1.075 370 N HN 0.136 nan 8.380 nan 0.000 0.461 371 P HA -0.054 nan 4.420 nan 0.000 0.225 371 P C 0.090 177.282 177.300 -0.180 0.000 1.156 371 P CA 0.969 63.985 63.100 -0.140 0.000 0.787 371 P CB 0.363 32.011 31.700 -0.087 0.000 0.802 372 R N 0.845 121.192 120.500 -0.256 0.000 2.295 372 R HA 0.298 4.639 4.340 0.001 0.000 0.324 372 R C -0.114 176.040 176.300 -0.242 0.000 0.968 372 R CA -0.659 55.282 56.100 -0.264 0.000 0.837 372 R CB 0.814 30.883 30.300 -0.385 0.000 1.133 372 R HN -0.212 nan 8.270 nan 0.000 0.450 373 K N 3.061 123.388 120.400 -0.121 0.000 2.285 373 K HA 0.302 4.623 4.320 0.001 0.000 0.286 373 K C -0.579 176.088 176.600 0.111 0.000 1.072 373 K CA -0.225 56.057 56.287 -0.009 0.000 0.913 373 K CB 1.215 33.694 32.500 -0.034 0.000 1.067 373 K HN 0.814 nan 8.250 nan 0.000 0.479 374 G N 2.482 111.460 108.800 0.295 0.000 3.175 374 G HA2 0.333 4.294 3.960 0.001 0.000 0.255 374 G HA3 0.333 4.294 3.960 0.001 0.000 0.255 374 G C -1.032 173.996 174.900 0.213 0.000 1.352 374 G CA -0.847 44.451 45.100 0.330 0.000 1.037 374 G HN 0.832 nan 8.290 nan 0.000 0.556 375 N N -2.114 116.676 118.700 0.150 0.000 3.167 375 N HA 0.268 5.009 4.740 0.001 0.000 0.323 375 N C 0.272 175.792 175.510 0.017 0.000 1.478 375 N CA -0.623 52.471 53.050 0.074 0.000 0.753 375 N CB 1.978 40.504 38.487 0.065 0.000 1.721 375 N HN 0.399 nan 8.380 nan 0.000 0.618 376 E N 0.099 120.304 120.200 0.008 0.000 2.072 376 E HA -0.196 4.155 4.350 0.001 0.000 0.191 376 E C 1.541 178.139 176.600 -0.003 0.000 0.985 376 E CA 1.471 57.865 56.400 -0.009 0.000 0.801 376 E CB -0.089 29.618 29.700 0.011 0.000 0.750 376 E HN 0.475 nan 8.360 nan 0.000 0.452 377 Q N 0.935 120.745 119.800 0.016 0.000 2.096 377 Q HA -0.184 4.157 4.340 0.001 0.000 0.204 377 Q C 1.832 177.831 176.000 -0.002 0.000 0.982 377 Q CA 1.492 57.307 55.803 0.020 0.000 0.850 377 Q CB -0.012 28.746 28.738 0.032 0.000 0.901 377 Q HN 0.299 nan 8.270 nan 0.000 0.422 378 E N -0.369 119.832 120.200 0.001 0.000 2.106 378 E HA -0.126 4.225 4.350 0.001 0.000 0.192 378 E C 1.864 178.340 176.600 -0.206 0.000 0.984 378 E CA 0.886 57.270 56.400 -0.026 0.000 0.806 378 E CB -0.059 29.712 29.700 0.119 0.000 0.750 378 E HN 0.352 nan 8.360 nan 0.000 0.458 379 I N 1.017 121.453 120.570 -0.223 0.000 2.252 379 I HA -0.232 3.939 4.170 0.001 0.000 0.245 379 I C 2.508 178.472 176.117 -0.257 0.000 1.102 379 I CA 0.825 61.915 61.300 -0.350 0.000 1.385 379 I CB -0.255 37.532 38.000 -0.355 0.000 1.064 379 I HN 0.072 nan 8.210 nan 0.000 0.414 380 A N 0.824 123.596 122.820 -0.081 0.000 1.940 380 A HA -0.198 4.123 4.320 0.001 0.000 0.219 380 A C 2.520 180.044 177.584 -0.100 0.000 1.176 380 A CA 1.973 54.017 52.037 0.011 0.000 0.631 380 A CB -0.814 18.228 19.000 0.070 0.000 0.814 380 A HN 0.438 nan 8.150 nan 0.000 0.446 381 A N -0.258 122.499 122.820 -0.105 0.000 1.969 381 A HA -0.003 4.318 4.320 0.001 0.000 0.218 381 A C 2.063 179.546 177.584 -0.168 0.000 1.169 381 A CA 1.328 53.308 52.037 -0.095 0.000 0.635 381 A CB -0.564 18.410 19.000 -0.043 0.000 0.810 381 A HN 0.506 nan 8.150 nan 0.000 0.445 382 I N -1.700 118.705 120.570 -0.276 0.000 2.179 382 I HA -0.253 3.918 4.170 0.001 0.000 0.242 382 I C 2.219 178.101 176.117 -0.393 0.000 1.088 382 I CA 1.298 62.394 61.300 -0.339 0.000 1.357 382 I CB -0.452 37.269 38.000 -0.466 0.000 1.051 382 I HN 0.266 nan 8.210 nan 0.000 0.409 383 F N 0.985 120.644 119.950 -0.485 0.000 2.091 383 F HA -0.259 4.269 4.527 0.001 0.000 0.299 383 F C 2.751 178.146 175.800 -0.675 0.000 1.103 383 F CA 1.692 59.246 58.000 -0.743 0.000 1.228 383 F CB -0.769 37.376 39.000 -1.425 0.000 0.984 383 F HN -0.087 nan 8.300 nan 0.000 0.477 384 R N 0.193 120.460 120.500 -0.390 0.000 2.105 384 R HA -0.198 4.143 4.340 0.001 0.000 0.239 384 R C 2.076 178.395 176.300 0.030 0.000 1.135 384 R CA 1.609 57.702 56.100 -0.012 0.000 0.967 384 R CB -0.294 30.028 30.300 0.037 0.000 0.861 384 R HN 0.378 nan 8.270 nan 0.000 0.442 385 Q N -1.527 118.205 119.800 -0.113 0.000 2.369 385 Q HA 0.006 4.346 4.340 0.001 0.000 0.206 385 Q C 1.304 177.006 176.000 -0.496 0.000 0.963 385 Q CA 1.065 56.756 55.803 -0.187 0.000 0.894 385 Q CB 0.407 29.051 28.738 -0.157 0.000 0.965 385 Q HN 0.394 nan 8.270 nan 0.000 0.475 386 A N -0.491 122.070 122.820 -0.433 0.000 2.348 386 A HA 0.138 4.458 4.320 0.001 0.000 0.224 386 A C 0.366 177.978 177.584 0.047 0.000 1.227 386 A CA -0.441 51.352 52.037 -0.407 0.000 0.885 386 A CB 0.105 18.937 19.000 -0.281 0.000 0.933 386 A HN 0.265 nan 8.150 nan 0.000 0.506 387 F N 0.000 119.983 119.950 0.055 0.000 2.286 387 F HA 0.000 4.528 4.527 0.001 0.000 0.279 387 F CA 0.000 58.114 58.000 0.190 0.000 1.383 387 F CB 0.000 39.173 39.000 0.288 0.000 1.145 387 F HN 0.000 nan 8.300 nan 0.000 0.574