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 1bgy_1_N DATA FIRST_RESID 21 DATA SEQUENCE PQDLEFTRLP NGLVIASLEN YAPASRIGLF IKAGSRYENS NNLGTSHLLR DATA SEQUENCE LASSLTTKGA SSFKITRGIE AVGGKLSVTS TRENMAYTVE CLRDDVDILM DATA SEQUENCE EFLLNVTTAP EFRRWEVAAL QPQLRIDKAV ALQNPQAHVI ENLHAAAYRN DATA SEQUENCE ALANSLYCPD YRIGKVTPVE LHDYVQNHFT SARMALIGLG VSHPVLKQVA DATA SEQUENCE EQFLNIRGGL GLSGAKAKYH GGEIREQNGD SLVHAALVAE SAAIGSAEAN DATA SEQUENCE AFSVLQHVLG AGPHVKRGSN ATSSLYQAVA KGVHQPFDVS AFNASYSDSG DATA SEQUENCE LFGFYTISQA ASAGDVIKAA YNQVKTIAQG NLSNPDVQAA KNKLKAGYLM DATA SEQUENCE SVESSEGFLD EVGSQALAAG SYTPPSTVLQ QIDAVADADV INAAKKFVSG DATA SEQUENCE RKSMAASGNL GHTPFIDEL 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 21 P HA 0.000 nan 4.420 nan 0.000 0.216 21 P C 0.000 177.315 177.300 0.026 0.000 1.155 21 P CA 0.000 63.113 63.100 0.022 0.000 0.800 21 P CB 0.000 31.713 31.700 0.021 0.000 0.726 22 Q N 1.809 121.626 119.800 0.027 0.000 2.261 22 Q HA 0.301 4.640 4.340 -0.001 0.000 0.252 22 Q C -0.379 175.646 176.000 0.042 0.000 0.915 22 Q CA 0.280 56.102 55.803 0.030 0.000 0.915 22 Q CB 1.189 29.943 28.738 0.028 0.000 1.204 22 Q HN 0.359 nan 8.270 nan 0.000 0.421 23 D N 1.423 121.856 120.400 0.055 0.000 2.423 23 D HA 0.267 4.906 4.640 -0.001 0.000 0.255 23 D C 0.597 176.953 176.300 0.094 0.000 1.174 23 D CA -0.580 53.475 54.000 0.092 0.000 1.008 23 D CB 0.709 41.578 40.800 0.114 0.000 1.101 23 D HN 0.151 nan 8.370 nan 0.000 0.516 24 L N -0.230 121.080 121.223 0.146 0.000 2.371 24 L HA 0.111 4.450 4.340 -0.001 0.000 0.234 24 L C 0.806 177.709 176.870 0.054 0.000 1.230 24 L CA 0.619 55.531 54.840 0.120 0.000 0.825 24 L CB -0.527 41.618 42.059 0.143 0.000 1.157 24 L HN 0.535 nan 8.230 nan 0.000 0.565 25 E N -0.391 119.835 120.200 0.044 0.000 2.738 25 E HA 0.267 4.616 4.350 -0.001 0.000 0.347 25 E C -1.262 175.378 176.600 0.068 0.000 1.077 25 E CA -0.401 56.003 56.400 0.007 0.000 0.755 25 E CB 0.404 30.256 29.700 0.253 0.000 1.576 25 E HN 0.345 nan 8.360 nan 0.000 0.379 26 F N 0.341 120.390 119.950 0.164 0.000 2.440 26 F HA 0.672 5.199 4.527 -0.000 0.000 0.323 26 F C 0.229 176.145 175.800 0.194 0.000 1.192 26 F CA -0.315 57.762 58.000 0.129 0.000 1.252 26 F CB 0.789 39.844 39.000 0.091 0.000 1.214 26 F HN -0.019 nan 8.300 nan 0.000 0.578 27 T N 1.090 115.884 114.554 0.401 0.000 3.842 27 T HA 0.242 4.592 4.350 -0.001 0.000 0.336 27 T C -0.912 173.909 174.700 0.202 0.000 0.900 27 T CA -0.747 61.528 62.100 0.291 0.000 1.022 27 T CB 0.733 69.776 68.868 0.292 0.000 1.068 27 T HN 0.796 nan 8.240 nan 0.000 0.464 28 R N 3.631 124.231 120.500 0.165 0.000 2.308 28 R HA 0.623 4.962 4.340 -0.001 0.000 0.305 28 R C -0.107 176.243 176.300 0.084 0.000 1.053 28 R CA -0.354 55.807 56.100 0.102 0.000 0.957 28 R CB 0.376 30.721 30.300 0.074 0.000 1.022 28 R HN 0.526 nan 8.270 nan 0.000 0.461 29 L N 5.971 127.235 121.223 0.068 0.000 2.472 29 L HA 0.403 4.743 4.340 -0.001 0.000 0.256 29 L C -1.269 175.624 176.870 0.039 0.000 1.111 29 L CA -2.352 52.521 54.840 0.054 0.000 0.800 29 L CB 0.859 42.949 42.059 0.051 0.000 1.286 29 L HN 0.585 nan 8.230 nan 0.000 0.479 30 P HA -0.121 nan 4.420 nan 0.000 0.216 30 P C 0.785 178.096 177.300 0.018 0.000 1.150 30 P CA 1.503 64.616 63.100 0.022 0.000 0.843 30 P CB 0.060 31.770 31.700 0.017 0.000 0.787 31 N N -1.584 117.128 118.700 0.020 0.000 2.188 31 N HA -0.008 4.732 4.740 -0.001 0.000 0.184 31 N C 1.199 176.718 175.510 0.016 0.000 1.018 31 N CA 1.120 54.179 53.050 0.016 0.000 0.858 31 N CB -0.272 38.226 38.487 0.018 0.000 0.989 31 N HN 0.176 nan 8.380 nan 0.000 0.426 32 G N 0.568 109.381 108.800 0.023 0.000 2.154 32 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.186 32 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.186 32 G C -0.104 174.809 174.900 0.023 0.000 1.000 32 G CA -0.019 45.094 45.100 0.021 0.000 0.664 32 G HN 0.309 nan 8.290 nan 0.000 0.513 33 L N -0.368 120.873 121.223 0.030 0.000 2.292 33 L HA 0.896 5.235 4.340 -0.001 0.000 0.284 33 L C 0.315 177.212 176.870 0.045 0.000 1.065 33 L CA -1.202 53.657 54.840 0.031 0.000 0.806 33 L CB 1.555 43.633 42.059 0.032 0.000 1.175 33 L HN -0.098 nan 8.230 nan 0.000 0.431 34 V N 5.321 125.258 119.914 0.038 0.000 2.834 34 V HA 0.447 4.567 4.120 -0.001 0.000 0.301 34 V C 0.278 176.402 176.094 0.051 0.000 1.066 34 V CA -0.260 62.071 62.300 0.052 0.000 1.052 34 V CB 1.512 33.343 31.823 0.014 0.000 1.021 34 V HN 0.844 nan 8.190 nan 0.000 0.480 35 I N 1.382 121.987 120.570 0.059 0.000 2.680 35 I HA 0.871 5.041 4.170 -0.001 0.000 0.291 35 I C -0.656 175.382 176.117 -0.132 0.000 1.244 35 I CA -0.431 60.854 61.300 -0.026 0.000 1.042 35 I CB 1.806 39.782 38.000 -0.041 0.000 1.277 35 I HN 0.717 nan 8.210 nan 0.000 0.423 36 A N 4.261 126.988 122.820 -0.156 0.000 2.437 36 A HA 0.978 5.298 4.320 -0.001 0.000 0.292 36 A C -0.671 176.794 177.584 -0.197 0.000 1.173 36 A CA -0.106 51.837 52.037 -0.156 0.000 0.785 36 A CB 1.776 20.775 19.000 -0.002 0.000 1.351 36 A HN 1.448 nan 8.150 nan 0.000 0.431 37 S N -0.692 114.948 115.700 -0.099 0.000 2.556 37 S HA 0.598 5.067 4.470 -0.001 0.000 0.280 37 S C -1.929 172.690 174.600 0.032 0.000 1.141 37 S CA -0.459 57.720 58.200 -0.035 0.000 0.883 37 S CB 0.700 63.874 63.200 -0.044 0.000 1.103 37 S HN 0.986 nan 8.310 nan 0.000 0.453 38 L N 2.502 123.738 121.223 0.022 0.000 2.492 38 L HA 0.474 4.814 4.340 -0.001 0.000 0.258 38 L C -0.066 176.796 176.870 -0.015 0.000 1.028 38 L CA -0.109 54.736 54.840 0.008 0.000 0.900 38 L CB 1.610 43.646 42.059 -0.039 0.000 1.191 38 L HN 0.910 nan 8.230 nan 0.000 0.459 39 E N 2.674 122.877 120.200 0.005 0.000 2.168 39 E HA -0.049 4.301 4.350 -0.001 0.000 0.254 39 E C 0.080 176.673 176.600 -0.010 0.000 1.228 39 E CA -0.029 56.370 56.400 -0.003 0.000 0.956 39 E CB 0.297 30.004 29.700 0.012 0.000 1.031 39 E HN 0.435 nan 8.360 nan 0.000 0.441 40 N N 2.642 121.314 118.700 -0.048 0.000 2.327 40 N HA -0.054 4.686 4.740 -0.001 0.000 0.257 40 N C 0.661 176.163 175.510 -0.014 0.000 1.281 40 N CA -0.020 52.996 53.050 -0.055 0.000 0.942 40 N CB 0.382 38.764 38.487 -0.176 0.000 1.199 40 N HN 0.460 nan 8.380 nan 0.000 0.532 41 Y N -0.368 119.903 120.300 -0.049 0.000 2.201 41 Y HA 0.460 5.010 4.550 -0.001 0.000 0.292 41 Y C 0.986 176.866 175.900 -0.032 0.000 1.119 41 Y CA 0.140 58.218 58.100 -0.035 0.000 1.127 41 Y CB -1.027 37.413 38.460 -0.033 0.000 1.019 41 Y HN 0.355 nan 8.280 nan 0.000 0.514 42 A N 2.080 124.390 122.820 -0.850 0.000 2.406 42 A HA 0.229 4.548 4.320 -0.001 0.000 0.243 42 A C -1.230 176.193 177.584 -0.268 0.000 1.082 42 A CA -0.692 50.986 52.037 -0.599 0.000 0.786 42 A CB -0.614 17.876 19.000 -0.850 0.000 1.029 42 A HN 0.380 nan 8.150 nan 0.000 0.495 43 P HA -0.018 nan 4.420 nan 0.000 0.220 43 P C 0.173 177.416 177.300 -0.095 0.000 1.144 43 P CA 1.762 64.804 63.100 -0.096 0.000 0.800 43 P CB 0.065 31.729 31.700 -0.060 0.000 0.772 44 A N -0.321 122.428 122.820 -0.119 0.000 2.287 44 A HA 0.545 4.865 4.320 -0.001 0.000 0.317 44 A C 0.114 177.646 177.584 -0.087 0.000 1.220 44 A CA -0.343 51.641 52.037 -0.088 0.000 0.835 44 A CB 0.638 19.592 19.000 -0.076 0.000 1.180 44 A HN 0.073 nan 8.150 nan 0.000 0.500 45 S N 2.732 118.395 115.700 -0.062 0.000 2.525 45 S HA 0.743 5.213 4.470 -0.001 0.000 0.290 45 S C -0.334 174.246 174.600 -0.034 0.000 1.152 45 S CA -0.758 57.412 58.200 -0.050 0.000 1.072 45 S CB 0.686 63.861 63.200 -0.041 0.000 1.027 45 S HN 0.715 nan 8.310 nan 0.000 0.500 46 R N 3.816 124.303 120.500 -0.022 0.000 2.507 46 R HA 0.522 4.862 4.340 -0.001 0.000 0.298 46 R C -0.648 175.654 176.300 0.005 0.000 1.087 46 R CA -0.557 55.537 56.100 -0.010 0.000 0.917 46 R CB 0.482 30.778 30.300 -0.006 0.000 1.173 46 R HN 0.546 nan 8.270 nan 0.000 0.472 47 I N 1.306 121.875 120.570 -0.002 0.000 3.156 47 I HA 0.566 4.736 4.170 -0.001 0.000 0.306 47 I C 0.696 176.811 176.117 -0.003 0.000 1.048 47 I CA -0.722 60.581 61.300 0.005 0.000 1.207 47 I CB 1.375 39.369 38.000 -0.009 0.000 1.456 47 I HN 0.858 nan 8.210 nan 0.000 0.616 48 G N 3.334 112.137 108.800 0.004 0.000 1.980 48 G HA2 0.378 4.337 3.960 -0.001 0.000 0.298 48 G HA3 0.378 4.337 3.960 -0.001 0.000 0.298 48 G C -1.590 173.276 174.900 -0.057 0.000 1.505 48 G CA -0.557 44.494 45.100 -0.082 0.000 1.158 48 G HN 0.406 nan 8.290 nan 0.000 0.557 49 L N 2.804 123.981 121.223 -0.076 0.000 2.325 49 L HA 0.718 5.057 4.340 -0.001 0.000 0.284 49 L C -0.976 175.865 176.870 -0.048 0.000 1.089 49 L CA -0.643 54.185 54.840 -0.020 0.000 0.836 49 L CB -0.247 41.763 42.059 -0.081 0.000 1.184 49 L HN 0.298 nan 8.230 nan 0.000 0.444 50 F N 6.578 126.512 119.950 -0.026 0.000 2.405 50 F HA 0.393 4.920 4.527 -0.001 0.000 0.358 50 F C 0.303 176.068 175.800 -0.059 0.000 1.151 50 F CA -0.339 57.648 58.000 -0.022 0.000 1.161 50 F CB 0.034 39.026 39.000 -0.013 0.000 1.245 50 F HN 0.311 nan 8.300 nan 0.000 0.545 51 I N 3.173 123.754 120.570 0.019 0.000 2.440 51 I HA 0.195 4.365 4.170 -0.001 0.000 0.294 51 I C 1.238 177.371 176.117 0.027 0.000 0.995 51 I CA -0.629 60.631 61.300 -0.067 0.000 1.306 51 I CB 1.059 38.833 38.000 -0.375 0.000 1.407 51 I HN 0.448 nan 8.210 nan 0.000 0.501 52 K N 3.988 124.396 120.400 0.013 0.000 2.668 52 K HA 0.151 4.471 4.320 -0.001 0.000 0.204 52 K C 0.104 176.628 176.600 -0.127 0.000 1.016 52 K CA -0.125 56.165 56.287 0.004 0.000 1.131 52 K CB -0.127 32.369 32.500 -0.006 0.000 0.891 52 K HN 0.737 nan 8.250 nan 0.000 0.499 53 A N 0.809 123.590 122.820 -0.065 0.000 2.279 53 A HA 0.478 4.798 4.320 -0.001 0.000 0.306 53 A C 0.427 178.135 177.584 0.207 0.000 1.300 53 A CA -0.421 51.529 52.037 -0.145 0.000 0.925 53 A CB 0.754 19.721 19.000 -0.054 0.000 1.152 53 A HN 0.320 nan 8.150 nan 0.000 0.544 54 G N 0.365 109.448 108.800 0.472 0.000 2.753 54 G HA2 0.430 4.390 3.960 -0.001 0.000 0.285 54 G HA3 0.430 4.390 3.960 -0.001 0.000 0.285 54 G C 1.151 176.246 174.900 0.325 0.000 1.344 54 G CA 0.351 45.668 45.100 0.361 0.000 1.050 54 G HN 1.131 nan 8.290 nan 0.000 0.532 55 S N -0.699 115.066 115.700 0.108 0.000 2.423 55 S HA -0.169 4.300 4.470 -0.001 0.000 0.231 55 S C 2.101 176.694 174.600 -0.012 0.000 1.014 55 S CA 1.352 59.561 58.200 0.016 0.000 0.965 55 S CB -0.316 62.833 63.200 -0.085 0.000 0.785 55 S HN 0.724 nan 8.310 nan 0.000 0.495 56 R N 0.232 120.675 120.500 -0.096 0.000 2.303 56 R HA -0.038 4.301 4.340 -0.001 0.000 0.225 56 R C 0.703 176.811 176.300 -0.320 0.000 1.114 56 R CA 1.268 57.208 56.100 -0.267 0.000 1.007 56 R CB -1.122 28.923 30.300 -0.424 0.000 0.861 56 R HN 0.529 nan 8.270 nan 0.000 0.471 57 Y N 1.625 121.949 120.300 0.039 0.000 2.496 57 Y HA 0.218 4.767 4.550 -0.001 0.000 0.313 57 Y C -0.341 175.627 175.900 0.112 0.000 1.184 57 Y CA -0.499 57.650 58.100 0.081 0.000 1.275 57 Y CB -0.169 38.286 38.460 -0.007 0.000 1.103 57 Y HN 0.257 nan 8.280 nan 0.000 0.513 58 E N -1.024 119.247 120.200 0.118 0.000 2.263 58 E HA 0.326 4.675 4.350 -0.001 0.000 0.264 58 E C -0.691 175.933 176.600 0.041 0.000 0.923 58 E CA -1.140 55.307 56.400 0.079 0.000 0.802 58 E CB 1.222 30.900 29.700 -0.036 0.000 1.228 58 E HN -0.042 nan 8.360 nan 0.000 0.417 59 N N -0.182 118.545 118.700 0.045 0.000 2.643 59 N HA 0.182 4.922 4.740 -0.001 0.000 0.305 59 N C 0.674 176.198 175.510 0.023 0.000 1.283 59 N CA -0.602 52.467 53.050 0.032 0.000 0.946 59 N CB 1.480 39.993 38.487 0.043 0.000 1.149 59 N HN 0.334 nan 8.380 nan 0.000 0.600 60 S N -0.287 115.430 115.700 0.028 0.000 2.370 60 S HA -0.044 4.426 4.470 -0.001 0.000 0.226 60 S C 1.147 175.781 174.600 0.056 0.000 1.033 60 S CA 1.034 59.259 58.200 0.042 0.000 1.011 60 S CB -0.342 62.877 63.200 0.030 0.000 0.852 60 S HN 0.502 nan 8.310 nan 0.000 0.457 61 N N 1.016 119.740 118.700 0.041 0.000 2.494 61 N HA 0.015 4.754 4.740 -0.001 0.000 0.182 61 N C 1.105 176.628 175.510 0.020 0.000 1.076 61 N CA 0.454 53.528 53.050 0.040 0.000 0.908 61 N CB -0.267 38.239 38.487 0.033 0.000 0.967 61 N HN 0.569 nan 8.380 nan 0.000 0.449 62 N N 0.045 118.748 118.700 0.006 0.000 2.171 62 N HA 0.149 4.888 4.740 -0.001 0.000 0.212 62 N C -0.314 175.143 175.510 -0.088 0.000 1.184 62 N CA -0.169 52.862 53.050 -0.032 0.000 0.888 62 N CB 0.666 39.156 38.487 0.005 0.000 1.038 62 N HN -0.037 nan 8.380 nan 0.000 0.517 63 L N 0.715 121.900 121.223 -0.064 0.000 2.573 63 L HA -0.016 4.324 4.340 -0.001 0.000 0.290 63 L C 1.490 178.265 176.870 -0.158 0.000 1.247 63 L CA 1.220 56.000 54.840 -0.101 0.000 0.876 63 L CB 0.209 42.232 42.059 -0.060 0.000 1.123 63 L HN 0.353 nan 8.230 nan 0.000 0.505 64 G N 1.382 110.078 108.800 -0.174 0.000 2.176 64 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.253 64 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.253 64 G C 0.806 175.607 174.900 -0.165 0.000 0.979 64 G CA 0.468 45.468 45.100 -0.167 0.000 0.641 64 G HN 0.643 nan 8.290 nan 0.000 0.530 65 T N 1.133 115.520 114.554 -0.277 0.000 2.896 65 T HA 0.026 4.376 4.350 -0.001 0.000 0.263 65 T C 2.772 177.186 174.700 -0.477 0.000 1.050 65 T CA 2.353 64.222 62.100 -0.385 0.000 1.140 65 T CB -0.273 68.297 68.868 -0.496 0.000 0.877 65 T HN 1.006 nan 8.240 nan 0.000 0.457 66 S N 1.015 116.365 115.700 -0.583 0.000 2.356 66 S HA -0.232 4.237 4.470 -0.001 0.000 0.223 66 S C 1.832 176.355 174.600 -0.129 0.000 1.032 66 S CA 1.751 59.729 58.200 -0.370 0.000 1.005 66 S CB -0.906 62.207 63.200 -0.145 0.000 0.867 66 S HN 0.652 nan 8.310 nan 0.000 0.449 67 H N 1.668 120.630 119.070 -0.179 0.000 2.292 67 H HA -0.122 4.434 4.556 -0.001 0.000 0.292 67 H C 2.052 177.343 175.328 -0.062 0.000 1.100 67 H CA 2.168 58.151 56.048 -0.107 0.000 1.238 67 H CB -0.555 29.154 29.762 -0.087 0.000 1.355 67 H HN 0.392 nan 8.280 nan 0.000 0.484 68 L N -0.178 121.056 121.223 0.019 0.000 2.027 68 L HA -0.066 4.273 4.340 -0.001 0.000 0.206 68 L C 2.266 179.136 176.870 0.001 0.000 1.074 68 L CA 1.603 56.446 54.840 0.006 0.000 0.745 68 L CB -1.216 40.846 42.059 0.006 0.000 0.898 68 L HN 0.432 nan 8.230 nan 0.000 0.433 69 L N 0.273 121.486 121.223 -0.016 0.000 2.103 69 L HA -0.269 4.071 4.340 -0.001 0.000 0.215 69 L C 2.746 179.709 176.870 0.154 0.000 1.080 69 L CA 2.168 57.071 54.840 0.104 0.000 0.764 69 L CB -0.891 41.217 42.059 0.082 0.000 0.890 69 L HN 0.485 nan 8.230 nan 0.000 0.435 70 R N -0.972 119.534 120.500 0.009 0.000 2.090 70 R HA -0.056 4.283 4.340 -0.001 0.000 0.228 70 R C 2.113 178.363 176.300 -0.083 0.000 1.110 70 R CA 1.243 57.296 56.100 -0.078 0.000 0.973 70 R CB -0.159 30.028 30.300 -0.188 0.000 0.869 70 R HN 0.458 nan 8.270 nan 0.000 0.440 71 L N 0.097 121.262 121.223 -0.096 0.000 2.554 71 L HA 0.120 4.460 4.340 -0.001 0.000 0.226 71 L C 1.251 178.124 176.870 0.004 0.000 1.137 71 L CA 0.292 55.090 54.840 -0.070 0.000 0.863 71 L CB 0.205 42.211 42.059 -0.088 0.000 0.985 71 L HN 0.175 nan 8.230 nan 0.000 0.451 72 A N -0.805 122.056 122.820 0.069 0.000 2.708 72 A HA 0.106 4.426 4.320 -0.001 0.000 0.293 72 A C 1.823 179.447 177.584 0.065 0.000 1.303 72 A CA 0.376 52.470 52.037 0.094 0.000 0.949 72 A CB -0.157 18.980 19.000 0.229 0.000 1.121 72 A HN 0.308 nan 8.150 nan 0.000 0.542 73 S N -0.767 114.971 115.700 0.065 0.000 2.481 73 S HA -0.024 4.446 4.470 -0.001 0.000 0.231 73 S C 1.136 175.727 174.600 -0.015 0.000 0.996 73 S CA 1.487 59.737 58.200 0.083 0.000 0.942 73 S CB -0.180 63.097 63.200 0.127 0.000 0.768 73 S HN 0.317 nan 8.310 nan 0.000 0.520 74 S N 1.011 116.679 115.700 -0.054 0.000 2.593 74 S HA 0.453 4.923 4.470 -0.001 0.000 0.236 74 S C 0.260 174.799 174.600 -0.102 0.000 0.991 74 S CA -0.583 57.558 58.200 -0.099 0.000 0.963 74 S CB -0.030 63.109 63.200 -0.102 0.000 0.865 74 S HN 0.423 nan 8.310 nan 0.000 0.488 75 L N 1.371 122.524 121.223 -0.117 0.000 2.475 75 L HA 0.283 4.623 4.340 -0.001 0.000 0.253 75 L C 0.911 177.695 176.870 -0.144 0.000 1.198 75 L CA -0.417 54.341 54.840 -0.137 0.000 0.814 75 L CB -0.112 41.818 42.059 -0.215 0.000 1.134 75 L HN -0.020 nan 8.230 nan 0.000 0.478 76 T N 0.501 114.989 114.554 -0.111 0.000 2.932 76 T HA 0.270 4.620 4.350 -0.001 0.000 0.312 76 T C 0.264 174.886 174.700 -0.130 0.000 1.071 76 T CA -0.036 62.021 62.100 -0.071 0.000 1.128 76 T CB 0.516 69.375 68.868 -0.016 0.000 0.984 76 T HN 0.864 nan 8.240 nan 0.000 0.549 77 T N -0.434 114.079 114.554 -0.068 0.000 2.804 77 T HA 0.464 4.814 4.350 -0.001 0.000 0.290 77 T C 1.123 175.824 174.700 0.001 0.000 1.099 77 T CA -1.069 60.993 62.100 -0.064 0.000 1.011 77 T CB 1.556 70.392 68.868 -0.053 0.000 1.291 77 T HN 0.353 nan 8.240 nan 0.000 0.523 78 K N 0.107 120.519 120.400 0.019 0.000 2.103 78 K HA -0.059 4.261 4.320 -0.001 0.000 0.207 78 K C 1.683 178.317 176.600 0.057 0.000 1.048 78 K CA 2.050 58.363 56.287 0.043 0.000 0.930 78 K CB -0.973 31.560 32.500 0.054 0.000 0.716 78 K HN 0.818 nan 8.250 nan 0.000 0.444 79 G N -0.889 107.950 108.800 0.066 0.000 3.062 79 G HA2 0.381 4.341 3.960 -0.001 0.000 0.228 79 G HA3 0.381 4.341 3.960 -0.001 0.000 0.228 79 G C -0.322 174.641 174.900 0.105 0.000 1.094 79 G CA 0.331 45.477 45.100 0.077 0.000 0.782 79 G HN 0.389 nan 8.290 nan 0.000 0.541 80 A N 0.553 123.443 122.820 0.117 0.000 2.429 80 A HA 0.651 4.971 4.320 -0.001 0.000 0.289 80 A C -0.137 177.505 177.584 0.097 0.000 1.043 80 A CA -0.429 51.709 52.037 0.168 0.000 0.722 80 A CB 0.961 20.170 19.000 0.349 0.000 1.243 80 A HN 0.436 nan 8.150 nan 0.000 0.415 81 S N 1.611 117.377 115.700 0.110 0.000 2.564 81 S HA 0.282 4.752 4.470 -0.001 0.000 0.278 81 S C 1.434 176.079 174.600 0.075 0.000 1.333 81 S CA 0.202 58.461 58.200 0.098 0.000 1.048 81 S CB 1.526 64.809 63.200 0.139 0.000 0.900 81 S HN 1.256 nan 8.310 nan 0.000 0.505 82 S N 1.525 117.254 115.700 0.048 0.000 2.409 82 S HA -0.242 4.227 4.470 -0.001 0.000 0.237 82 S C 1.310 175.918 174.600 0.015 0.000 1.060 82 S CA 1.844 60.046 58.200 0.003 0.000 1.052 82 S CB -0.659 62.559 63.200 0.031 0.000 0.871 82 S HN 0.711 nan 8.310 nan 0.000 0.465 83 F N 1.882 121.815 119.950 -0.028 0.000 2.084 83 F HA 0.013 4.540 4.527 -0.001 0.000 0.296 83 F C 2.226 178.007 175.800 -0.031 0.000 1.111 83 F CA 2.083 60.070 58.000 -0.022 0.000 1.224 83 F CB -0.580 38.424 39.000 0.007 0.000 0.991 83 F HN 0.195 nan 8.300 nan 0.000 0.471 84 K N 1.004 121.544 120.400 0.234 0.000 2.002 84 K HA -0.174 4.145 4.320 -0.001 0.000 0.209 84 K C 2.036 178.576 176.600 -0.101 0.000 1.048 84 K CA 2.189 58.577 56.287 0.169 0.000 0.930 84 K CB -0.674 31.988 32.500 0.270 0.000 0.714 84 K HN 0.360 nan 8.250 nan 0.000 0.438 85 I N 1.151 121.514 120.570 -0.346 0.000 2.094 85 I HA -0.425 3.745 4.170 -0.001 0.000 0.236 85 I C 2.145 177.841 176.117 -0.702 0.000 1.016 85 I CA 2.478 63.184 61.300 -0.991 0.000 1.294 85 I CB -1.414 36.196 38.000 -0.649 0.000 1.006 85 I HN 0.454 nan 8.210 nan 0.000 0.397 86 T N 0.700 115.002 114.554 -0.420 0.000 2.643 86 T HA -0.149 4.201 4.350 -0.001 0.000 0.264 86 T C 1.987 176.505 174.700 -0.303 0.000 1.045 86 T CA 0.936 62.841 62.100 -0.325 0.000 1.155 86 T CB -0.386 68.317 68.868 -0.275 0.000 0.863 86 T HN 0.224 nan 8.240 nan 0.000 0.420 87 R N 1.145 121.406 120.500 -0.398 0.000 2.127 87 R HA 0.001 4.341 4.340 -0.001 0.000 0.238 87 R C 2.792 179.020 176.300 -0.121 0.000 1.134 87 R CA 1.365 57.265 56.100 -0.334 0.000 0.975 87 R CB -1.289 28.698 30.300 -0.521 0.000 0.865 87 R HN 0.571 nan 8.270 nan 0.000 0.447 88 G N 1.136 109.910 108.800 -0.044 0.000 2.434 88 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.214 88 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.214 88 G C 1.584 176.584 174.900 0.166 0.000 1.202 88 G CA 0.421 45.647 45.100 0.209 0.000 0.788 88 G HN 0.200 nan 8.290 nan 0.000 0.539 89 I N 0.788 121.406 120.570 0.081 0.000 2.264 89 I HA -0.162 4.008 4.170 -0.001 0.000 0.248 89 I C 2.745 178.865 176.117 0.005 0.000 1.111 89 I CA 1.267 62.601 61.300 0.058 0.000 1.382 89 I CB -0.232 37.753 38.000 -0.024 0.000 1.060 89 I HN 0.254 nan 8.210 nan 0.000 0.418 90 E N 0.835 121.010 120.200 -0.042 0.000 2.058 90 E HA -0.280 4.070 4.350 -0.001 0.000 0.194 90 E C 2.406 178.995 176.600 -0.018 0.000 0.997 90 E CA 1.295 57.669 56.400 -0.044 0.000 0.801 90 E CB -0.302 29.353 29.700 -0.076 0.000 0.746 90 E HN 0.537 nan 8.360 nan 0.000 0.450 91 A N 0.714 123.531 122.820 -0.005 0.000 1.944 91 A HA -0.253 4.067 4.320 -0.001 0.000 0.222 91 A C 2.322 179.912 177.584 0.009 0.000 1.237 91 A CA 2.101 54.144 52.037 0.010 0.000 0.668 91 A CB -0.616 18.404 19.000 0.033 0.000 0.830 91 A HN 0.202 nan 8.150 nan 0.000 0.471 92 V N -2.027 117.896 119.914 0.015 0.000 3.578 92 V HA 0.409 4.529 4.120 -0.001 0.000 0.290 92 V C 1.576 177.671 176.094 0.002 0.000 1.376 92 V CA 0.817 63.123 62.300 0.009 0.000 1.083 92 V CB -0.260 31.573 31.823 0.017 0.000 0.911 92 V HN 1.362 nan 8.190 nan 0.000 0.433 93 G N 0.549 109.347 108.800 -0.002 0.000 2.136 93 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.242 93 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.242 93 G C 0.516 175.410 174.900 -0.010 0.000 0.989 93 G CA -0.010 45.084 45.100 -0.009 0.000 0.682 93 G HN 0.894 nan 8.290 nan 0.000 0.522 94 G N -0.544 108.254 108.800 -0.003 0.000 2.572 94 G HA2 0.547 4.507 3.960 -0.001 0.000 0.261 94 G HA3 0.547 4.507 3.960 -0.001 0.000 0.261 94 G C -0.070 174.821 174.900 -0.014 0.000 1.197 94 G CA 0.250 45.349 45.100 -0.002 0.000 0.870 94 G HN 0.644 nan 8.290 nan 0.000 0.548 95 K N 0.226 120.616 120.400 -0.017 0.000 2.316 95 K HA 0.585 4.905 4.320 -0.001 0.000 0.251 95 K C -1.777 174.807 176.600 -0.026 0.000 0.934 95 K CA -0.858 55.413 56.287 -0.027 0.000 0.802 95 K CB 1.977 34.460 32.500 -0.028 0.000 1.171 95 K HN 0.329 nan 8.250 nan 0.000 0.426 96 L N 2.769 123.970 121.223 -0.035 0.000 2.345 96 L HA 0.388 4.728 4.340 -0.001 0.000 0.274 96 L C -1.361 175.481 176.870 -0.047 0.000 0.999 96 L CA -0.001 54.820 54.840 -0.031 0.000 0.849 96 L CB 1.765 43.805 42.059 -0.031 0.000 1.220 96 L HN 0.607 nan 8.230 nan 0.000 0.422 97 S N 2.916 118.579 115.700 -0.062 0.000 2.509 97 S HA 0.705 5.175 4.470 -0.001 0.000 0.297 97 S C -0.711 173.790 174.600 -0.166 0.000 1.118 97 S CA -0.510 57.632 58.200 -0.098 0.000 1.074 97 S CB 1.960 65.106 63.200 -0.089 0.000 1.038 97 S HN 0.353 nan 8.310 nan 0.000 0.498 98 V N 3.428 123.202 119.914 -0.235 0.000 2.327 98 V HA 0.332 4.451 4.120 -0.001 0.000 0.272 98 V C -0.021 175.846 176.094 -0.378 0.000 1.019 98 V CA -0.475 61.543 62.300 -0.471 0.000 0.814 98 V CB 1.179 32.651 31.823 -0.586 0.000 1.040 98 V HN 0.842 nan 8.190 nan 0.000 0.440 99 T N 3.834 118.189 114.554 -0.332 0.000 2.837 99 T HA 0.670 5.019 4.350 -0.001 0.000 0.285 99 T C 0.053 174.650 174.700 -0.172 0.000 0.984 99 T CA -0.197 61.781 62.100 -0.202 0.000 1.049 99 T CB 1.276 70.061 68.868 -0.139 0.000 0.947 99 T HN 0.761 nan 8.240 nan 0.000 0.472 100 S N 1.694 117.331 115.700 -0.104 0.000 2.627 100 S HA 0.853 5.322 4.470 -0.001 0.000 0.283 100 S C -0.309 174.284 174.600 -0.012 0.000 1.127 100 S CA -0.925 57.248 58.200 -0.045 0.000 0.863 100 S CB 2.058 65.233 63.200 -0.041 0.000 1.121 100 S HN 0.741 nan 8.310 nan 0.000 0.479 101 T N -0.899 113.678 114.554 0.037 0.000 2.669 101 T HA 0.483 4.833 4.350 -0.001 0.000 0.283 101 T C 0.564 175.294 174.700 0.049 0.000 1.019 101 T CA -0.706 61.429 62.100 0.059 0.000 1.039 101 T CB 1.270 70.215 68.868 0.130 0.000 1.374 101 T HN 0.523 nan 8.240 nan 0.000 0.523 102 R N -0.149 120.377 120.500 0.043 0.000 2.189 102 R HA 0.089 4.429 4.340 -0.001 0.000 0.223 102 R C 1.822 178.129 176.300 0.012 0.000 1.092 102 R CA 1.299 57.356 56.100 -0.071 0.000 0.989 102 R CB 0.125 30.252 30.300 -0.288 0.000 0.876 102 R HN 0.549 nan 8.270 nan 0.000 0.457 103 E N -0.868 119.417 120.200 0.141 0.000 2.330 103 E HA 0.132 4.482 4.350 -0.001 0.000 0.200 103 E C 0.033 176.800 176.600 0.279 0.000 0.922 103 E CA 0.345 56.875 56.400 0.216 0.000 0.935 103 E CB 0.454 30.306 29.700 0.252 0.000 0.917 103 E HN 0.181 nan 8.360 nan 0.000 0.491 104 N N -0.095 118.735 118.700 0.218 0.000 2.629 104 N HA 0.385 5.124 4.740 -0.001 0.000 0.279 104 N C -0.877 174.727 175.510 0.156 0.000 1.344 104 N CA -0.470 52.700 53.050 0.199 0.000 0.789 104 N CB 2.002 40.617 38.487 0.213 0.000 1.508 104 N HN -0.104 nan 8.380 nan 0.000 0.516 105 M N 1.501 121.182 119.600 0.136 0.000 1.988 105 M HA 0.357 4.837 4.480 -0.001 0.000 0.243 105 M C -1.323 174.943 176.300 -0.056 0.000 0.897 105 M CA -0.482 54.844 55.300 0.043 0.000 0.935 105 M CB 0.967 33.637 32.600 0.116 0.000 1.956 105 M HN 0.634 nan 8.290 nan 0.000 0.389 106 A N 2.818 125.533 122.820 -0.174 0.000 2.404 106 A HA 0.342 4.661 4.320 -0.001 0.000 0.273 106 A C -1.227 176.074 177.584 -0.472 0.000 1.144 106 A CA 0.159 51.864 52.037 -0.554 0.000 0.806 106 A CB -0.138 18.395 19.000 -0.777 0.000 1.080 106 A HN 0.752 nan 8.150 nan 0.000 0.509 107 Y N 2.650 122.674 120.300 -0.461 0.000 2.907 107 Y HA 0.192 4.742 4.550 -0.001 0.000 0.332 107 Y C 1.240 176.972 175.900 -0.279 0.000 1.211 107 Y CA 0.195 58.117 58.100 -0.297 0.000 1.387 107 Y CB 0.513 38.829 38.460 -0.240 0.000 1.396 107 Y HN 0.702 nan 8.280 nan 0.000 0.519 108 T N 1.466 115.912 114.554 -0.181 0.000 2.906 108 T HA 0.206 4.555 4.350 -0.001 0.000 0.320 108 T C -0.533 174.133 174.700 -0.056 0.000 1.088 108 T CA 0.287 62.307 62.100 -0.133 0.000 1.120 108 T CB 0.582 69.371 68.868 -0.132 0.000 1.000 108 T HN 0.265 nan 8.240 nan 0.000 0.550 109 V N 3.922 123.813 119.914 -0.039 0.000 2.757 109 V HA 0.275 4.395 4.120 -0.001 0.000 0.262 109 V C -0.412 175.673 176.094 -0.014 0.000 0.971 109 V CA -0.637 61.653 62.300 -0.016 0.000 0.906 109 V CB 1.332 33.153 31.823 -0.002 0.000 1.056 109 V HN 0.858 nan 8.190 nan 0.000 0.489 110 E N 4.125 124.316 120.200 -0.016 0.000 2.283 110 E HA 0.763 5.112 4.350 -0.001 0.000 0.271 110 E C -0.471 176.121 176.600 -0.012 0.000 1.031 110 E CA 0.256 56.646 56.400 -0.017 0.000 0.868 110 E CB 2.005 31.693 29.700 -0.021 0.000 1.094 110 E HN 0.973 nan 8.360 nan 0.000 0.401 111 C N 1.855 121.145 119.300 -0.017 0.000 3.132 111 C HA 0.360 4.819 4.460 -0.001 0.000 0.336 111 C C -1.608 173.368 174.990 -0.022 0.000 1.387 111 C CA -1.052 57.958 59.018 -0.014 0.000 1.202 111 C CB -0.077 27.660 27.740 -0.005 0.000 1.451 111 C HN 0.639 nan 8.230 nan 0.000 0.433 112 L N 2.412 123.623 121.223 -0.020 0.000 2.418 112 L HA 0.403 4.742 4.340 -0.001 0.000 0.265 112 L C 1.902 178.757 176.870 -0.026 0.000 1.143 112 L CA -0.067 54.758 54.840 -0.025 0.000 0.809 112 L CB 0.947 42.994 42.059 -0.020 0.000 1.124 112 L HN 0.887 nan 8.230 nan 0.000 0.456 113 R N 1.055 121.537 120.500 -0.031 0.000 2.133 113 R HA -0.216 4.124 4.340 -0.001 0.000 0.245 113 R C 1.173 177.459 176.300 -0.024 0.000 1.137 113 R CA 2.049 58.131 56.100 -0.030 0.000 0.947 113 R CB -0.089 30.193 30.300 -0.030 0.000 0.865 113 R HN 0.669 nan 8.270 nan 0.000 0.437 114 D N 0.158 120.545 120.400 -0.021 0.000 2.309 114 D HA -0.115 4.525 4.640 -0.001 0.000 0.212 114 D C 0.659 176.945 176.300 -0.023 0.000 0.968 114 D CA 1.057 55.045 54.000 -0.019 0.000 0.882 114 D CB -0.084 40.706 40.800 -0.016 0.000 0.918 114 D HN 0.302 nan 8.370 nan 0.000 0.503 115 D N -0.500 119.886 120.400 -0.024 0.000 2.431 115 D HA 0.040 4.680 4.640 -0.001 0.000 0.213 115 D C 2.020 178.299 176.300 -0.035 0.000 1.130 115 D CA -0.037 53.946 54.000 -0.028 0.000 0.834 115 D CB 1.142 41.932 40.800 -0.018 0.000 0.985 115 D HN -0.007 nan 8.370 nan 0.000 0.504 116 V N 1.129 121.023 119.914 -0.033 0.000 2.324 116 V HA -0.293 3.827 4.120 -0.001 0.000 0.250 116 V C 1.832 177.892 176.094 -0.058 0.000 1.060 116 V CA 1.942 64.220 62.300 -0.037 0.000 1.042 116 V CB -0.394 31.410 31.823 -0.031 0.000 0.650 116 V HN 0.087 nan 8.190 nan 0.000 0.450 117 D N -0.266 120.096 120.400 -0.064 0.000 2.117 117 D HA -0.114 4.526 4.640 -0.001 0.000 0.197 117 D C 2.003 178.219 176.300 -0.139 0.000 0.987 117 D CA 1.220 55.167 54.000 -0.088 0.000 0.829 117 D CB -0.146 40.614 40.800 -0.067 0.000 0.961 117 D HN 0.430 nan 8.370 nan 0.000 0.460 118 I N -0.107 120.379 120.570 -0.139 0.000 2.394 118 I HA -0.174 3.996 4.170 -0.001 0.000 0.251 118 I C 1.943 177.886 176.117 -0.289 0.000 1.136 118 I CA 0.453 61.616 61.300 -0.228 0.000 1.425 118 I CB -0.028 37.877 38.000 -0.159 0.000 1.079 118 I HN 0.066 nan 8.210 nan 0.000 0.425 119 L N 0.011 121.164 121.223 -0.118 0.000 2.095 119 L HA -0.104 4.235 4.340 -0.001 0.000 0.204 119 L C 2.502 179.355 176.870 -0.029 0.000 1.080 119 L CA 1.442 56.277 54.840 -0.007 0.000 0.759 119 L CB -0.316 41.755 42.059 0.020 0.000 0.914 119 L HN 0.139 nan 8.230 nan 0.000 0.439 120 M N -0.710 118.836 119.600 -0.090 0.000 2.080 120 M HA -0.285 4.194 4.480 -0.001 0.000 0.260 120 M C 2.185 178.383 176.300 -0.170 0.000 1.068 120 M CA 1.989 57.221 55.300 -0.113 0.000 1.109 120 M CB -0.281 32.242 32.600 -0.128 0.000 1.342 120 M HN 0.293 nan 8.290 nan 0.000 0.405 121 E N -0.652 119.400 120.200 -0.247 0.000 2.267 121 E HA -0.211 4.139 4.350 -0.001 0.000 0.197 121 E C 1.492 177.992 176.600 -0.167 0.000 0.998 121 E CA 1.121 57.341 56.400 -0.299 0.000 0.830 121 E CB -0.036 29.462 29.700 -0.337 0.000 0.751 121 E HN 0.505 nan 8.360 nan 0.000 0.491 122 F N 0.272 120.153 119.950 -0.114 0.000 2.118 122 F HA -0.070 4.457 4.527 -0.001 0.000 0.293 122 F C 2.138 177.880 175.800 -0.098 0.000 1.102 122 F CA 0.518 58.465 58.000 -0.088 0.000 1.247 122 F CB -1.026 37.935 39.000 -0.065 0.000 1.017 122 F HN 0.112 nan 8.300 nan 0.000 0.475 123 L N 0.162 121.443 121.223 0.097 0.000 2.081 123 L HA -0.203 4.137 4.340 -0.001 0.000 0.212 123 L C 1.999 178.823 176.870 -0.076 0.000 1.080 123 L CA 1.761 56.595 54.840 -0.010 0.000 0.754 123 L CB -0.906 41.128 42.059 -0.042 0.000 0.893 123 L HN 0.118 nan 8.230 nan 0.000 0.433 124 L N -0.935 120.225 121.223 -0.106 0.000 2.093 124 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 124 L C 2.190 179.023 176.870 -0.061 0.000 1.085 124 L CA 1.283 56.041 54.840 -0.136 0.000 0.755 124 L CB -0.672 41.200 42.059 -0.312 0.000 0.904 124 L HN 0.326 nan 8.230 nan 0.000 0.435 125 N N -0.362 118.327 118.700 -0.017 0.000 2.106 125 N HA -0.150 4.589 4.740 -0.001 0.000 0.188 125 N C 1.826 177.333 175.510 -0.006 0.000 1.029 125 N CA 1.166 54.230 53.050 0.023 0.000 0.848 125 N CB -0.357 38.184 38.487 0.089 0.000 1.007 125 N HN -0.027 nan 8.380 nan 0.000 0.423 126 V N -0.326 119.575 119.914 -0.021 0.000 2.453 126 V HA -0.245 3.875 4.120 -0.001 0.000 0.252 126 V C 2.225 178.273 176.094 -0.077 0.000 1.068 126 V CA 2.208 64.475 62.300 -0.055 0.000 1.070 126 V CB -0.745 31.051 31.823 -0.045 0.000 0.664 126 V HN 0.500 nan 8.190 nan 0.000 0.461 127 T N -2.070 112.410 114.554 -0.123 0.000 3.034 127 T HA -0.032 4.318 4.350 -0.001 0.000 0.248 127 T C 1.620 176.333 174.700 0.023 0.000 1.040 127 T CA 1.401 63.405 62.100 -0.160 0.000 1.107 127 T CB 0.062 68.678 68.868 -0.421 0.000 0.932 127 T HN 0.533 nan 8.240 nan 0.000 0.474 128 T N 0.665 115.229 114.554 0.016 0.000 3.001 128 T HA 0.537 4.887 4.350 -0.001 0.000 0.251 128 T C 1.185 175.925 174.700 0.067 0.000 1.040 128 T CA 0.423 62.560 62.100 0.061 0.000 0.985 128 T CB 0.422 69.333 68.868 0.072 0.000 1.011 128 T HN 0.323 nan 8.240 nan 0.000 0.509 129 A N 1.541 124.390 122.820 0.049 0.000 2.610 129 A HA 0.504 4.824 4.320 -0.001 0.000 0.291 129 A C -2.683 174.908 177.584 0.013 0.000 1.116 129 A CA -1.009 51.056 52.037 0.048 0.000 0.963 129 A CB 0.013 19.045 19.000 0.053 0.000 1.220 129 A HN 0.183 nan 8.150 nan 0.000 0.530 130 P HA 0.043 nan 4.420 nan 0.000 0.264 130 P C -0.291 176.945 177.300 -0.107 0.000 1.179 130 P CA 0.773 63.770 63.100 -0.171 0.000 0.763 130 P CB 0.415 31.989 31.700 -0.209 0.000 0.806 131 E N 2.230 122.271 120.200 -0.264 0.000 3.037 131 E HA 0.184 4.533 4.350 -0.001 0.000 0.220 131 E C -0.787 175.685 176.600 -0.213 0.000 1.142 131 E CA -0.506 55.824 56.400 -0.116 0.000 0.888 131 E CB 0.071 29.715 29.700 -0.093 0.000 1.329 131 E HN 0.328 nan 8.360 nan 0.000 0.409 132 F N 2.173 122.087 119.950 -0.060 0.000 2.490 132 F HA 0.130 4.657 4.527 -0.001 0.000 0.357 132 F C 1.007 176.660 175.800 -0.246 0.000 1.166 132 F CA -0.127 57.797 58.000 -0.126 0.000 1.116 132 F CB 0.072 39.033 39.000 -0.064 0.000 1.171 132 F HN -0.008 nan 8.300 nan 0.000 0.576 133 R N 3.716 124.004 120.500 -0.352 0.000 2.265 133 R HA 0.240 4.580 4.340 -0.001 0.000 0.314 133 R C 1.653 177.582 176.300 -0.618 0.000 1.053 133 R CA -0.761 54.899 56.100 -0.735 0.000 0.931 133 R CB 0.945 30.303 30.300 -1.571 0.000 1.024 133 R HN 0.689 nan 8.270 nan 0.000 0.457 134 R N 3.263 123.557 120.500 -0.343 0.000 2.159 134 R HA -0.265 4.075 4.340 -0.001 0.000 0.249 134 R C 1.345 177.631 176.300 -0.025 0.000 1.136 134 R CA 2.667 58.715 56.100 -0.087 0.000 0.951 134 R CB -0.599 29.732 30.300 0.051 0.000 0.876 134 R HN 0.854 nan 8.270 nan 0.000 0.440 135 W N 1.194 122.517 121.300 0.037 0.000 2.355 135 W HA 0.003 4.663 4.660 -0.001 0.000 0.309 135 W C 1.703 178.244 176.519 0.035 0.000 1.206 135 W CA 1.240 58.604 57.345 0.031 0.000 1.284 135 W CB -0.552 28.922 29.460 0.023 0.000 1.145 135 W HN 0.138 nan 8.180 nan 0.000 0.502 136 E N 0.928 120.923 120.200 -0.342 0.000 2.031 136 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 136 E C 2.311 178.884 176.600 -0.045 0.000 0.994 136 E CA 1.997 58.321 56.400 -0.127 0.000 0.800 136 E CB -0.598 28.942 29.700 -0.265 0.000 0.752 136 E HN 0.188 nan 8.360 nan 0.000 0.447 137 V N 1.701 121.572 119.914 -0.072 0.000 2.255 137 V HA -0.320 3.800 4.120 -0.001 0.000 0.247 137 V C 2.433 178.547 176.094 0.033 0.000 1.051 137 V CA 1.932 64.247 62.300 0.025 0.000 1.018 137 V CB -0.894 30.966 31.823 0.061 0.000 0.641 137 V HN 0.347 nan 8.190 nan 0.000 0.445 138 A N 0.057 122.897 122.820 0.033 0.000 1.903 138 A HA -0.280 4.040 4.320 -0.001 0.000 0.219 138 A C 2.377 179.997 177.584 0.061 0.000 1.191 138 A CA 2.690 54.759 52.037 0.053 0.000 0.638 138 A CB -0.901 18.146 19.000 0.079 0.000 0.823 138 A HN 0.661 nan 8.150 nan 0.000 0.451 139 A N -1.323 121.542 122.820 0.076 0.000 2.014 139 A HA 0.129 4.448 4.320 -0.001 0.000 0.218 139 A C 2.046 179.662 177.584 0.053 0.000 1.163 139 A CA 1.512 53.592 52.037 0.072 0.000 0.652 139 A CB -0.459 18.596 19.000 0.091 0.000 0.808 139 A HN 0.543 nan 8.150 nan 0.000 0.449 140 L N -0.608 120.644 121.223 0.049 0.000 1.961 140 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 140 L C 2.249 179.144 176.870 0.042 0.000 1.072 140 L CA 2.312 57.178 54.840 0.043 0.000 0.749 140 L CB -0.922 41.165 42.059 0.047 0.000 0.889 140 L HN 0.438 nan 8.230 nan 0.000 0.432 141 Q N -0.387 119.438 119.800 0.040 0.000 2.463 141 Q HA -0.302 4.037 4.340 -0.001 0.000 0.231 141 Q C 0.208 176.228 176.000 0.034 0.000 1.097 141 Q CA 3.221 59.044 55.803 0.033 0.000 0.992 141 Q CB -2.866 25.887 28.738 0.025 0.000 0.999 141 Q HN 0.358 nan 8.270 nan 0.000 0.536 142 P HA -0.209 nan 4.420 nan 0.000 0.219 142 P C 1.401 178.719 177.300 0.031 0.000 1.153 142 P CA 2.281 65.396 63.100 0.026 0.000 0.865 142 P CB -0.223 31.491 31.700 0.024 0.000 0.788 143 Q N -0.392 119.430 119.800 0.037 0.000 2.152 143 Q HA -0.176 4.163 4.340 -0.001 0.000 0.206 143 Q C 1.989 178.033 176.000 0.073 0.000 0.985 143 Q CA 1.560 57.389 55.803 0.043 0.000 0.863 143 Q CB -1.220 27.540 28.738 0.037 0.000 0.904 143 Q HN 0.230 nan 8.270 nan 0.000 0.422 144 L N -0.576 120.706 121.223 0.098 0.000 2.013 144 L HA -0.250 4.090 4.340 -0.001 0.000 0.212 144 L C 2.615 179.545 176.870 0.100 0.000 1.073 144 L CA 1.802 56.746 54.840 0.174 0.000 0.753 144 L CB -0.477 41.655 42.059 0.122 0.000 0.890 144 L HN 0.233 nan 8.230 nan 0.000 0.432 145 R N 0.122 120.643 120.500 0.034 0.000 2.073 145 R HA -0.139 4.201 4.340 -0.001 0.000 0.234 145 R C 2.321 178.623 176.300 0.002 0.000 1.134 145 R CA 1.482 57.582 56.100 -0.000 0.000 0.952 145 R CB -0.279 30.018 30.300 -0.004 0.000 0.850 145 R HN 0.309 nan 8.270 nan 0.000 0.433 146 I N 0.458 121.040 120.570 0.018 0.000 2.226 146 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 146 I C 2.098 178.223 176.117 0.012 0.000 1.100 146 I CA 1.231 62.537 61.300 0.010 0.000 1.374 146 I CB -0.313 37.694 38.000 0.012 0.000 1.057 146 I HN 0.184 nan 8.210 nan 0.000 0.413 147 D N 1.111 121.541 120.400 0.051 0.000 2.117 147 D HA -0.208 4.432 4.640 -0.001 0.000 0.197 147 D C 2.154 178.465 176.300 0.017 0.000 0.987 147 D CA 1.388 55.432 54.000 0.074 0.000 0.829 147 D CB 0.009 40.910 40.800 0.168 0.000 0.961 147 D HN 0.099 nan 8.370 nan 0.000 0.460 148 K N -0.322 120.076 120.400 -0.004 0.000 2.097 148 K HA -0.061 4.258 4.320 -0.001 0.000 0.206 148 K C 1.955 178.440 176.600 -0.191 0.000 1.049 148 K CA 1.079 57.258 56.287 -0.181 0.000 0.933 148 K CB -0.106 32.306 32.500 -0.146 0.000 0.717 148 K HN 0.099 nan 8.250 nan 0.000 0.442 149 A N 0.500 123.258 122.820 -0.103 0.000 2.067 149 A HA -0.092 4.228 4.320 -0.001 0.000 0.219 149 A C 2.030 179.559 177.584 -0.092 0.000 1.158 149 A CA 1.590 53.573 52.037 -0.090 0.000 0.661 149 A CB -0.343 18.624 19.000 -0.056 0.000 0.801 149 A HN 0.274 nan 8.150 nan 0.000 0.452 150 V N -4.074 115.787 119.914 -0.088 0.000 3.125 150 V HA 0.376 4.496 4.120 -0.001 0.000 0.249 150 V C 2.195 178.238 176.094 -0.086 0.000 1.113 150 V CA 1.168 63.429 62.300 -0.065 0.000 1.106 150 V CB -0.526 31.276 31.823 -0.035 0.000 0.768 150 V HN 0.371 nan 8.190 nan 0.000 0.468 151 A N 0.266 122.994 122.820 -0.154 0.000 2.123 151 A HA 0.351 4.670 4.320 -0.001 0.000 0.214 151 A C 1.964 179.426 177.584 -0.204 0.000 1.152 151 A CA 0.795 52.716 52.037 -0.193 0.000 0.728 151 A CB -0.449 18.370 19.000 -0.302 0.000 0.814 151 A HN 0.518 nan 8.150 nan 0.000 0.464 152 L N -0.268 120.832 121.223 -0.206 0.000 2.645 152 L HA 0.010 4.349 4.340 -0.001 0.000 0.235 152 L C 1.988 178.803 176.870 -0.091 0.000 1.150 152 L CA 0.272 55.033 54.840 -0.131 0.000 0.911 152 L CB -0.283 41.702 42.059 -0.124 0.000 1.077 152 L HN 0.547 nan 8.230 nan 0.000 0.438 153 Q N -0.290 119.464 119.800 -0.077 0.000 2.354 153 Q HA 0.040 4.380 4.340 -0.001 0.000 0.203 153 Q C 0.111 176.086 176.000 -0.040 0.000 0.933 153 Q CA 0.356 56.125 55.803 -0.056 0.000 0.901 153 Q CB 0.482 29.195 28.738 -0.042 0.000 1.007 153 Q HN 0.449 nan 8.270 nan 0.000 0.495 154 N N 1.424 120.106 118.700 -0.031 0.000 2.420 154 N HA 0.097 4.836 4.740 -0.001 0.000 0.249 154 N C -2.068 173.421 175.510 -0.035 0.000 1.033 154 N CA -1.347 51.696 53.050 -0.012 0.000 0.944 154 N CB 1.257 39.753 38.487 0.015 0.000 1.113 154 N HN -0.057 nan 8.380 nan 0.000 0.502 155 P HA -0.308 nan 4.420 nan 0.000 0.219 155 P C 1.398 178.642 177.300 -0.093 0.000 1.161 155 P CA 1.892 64.828 63.100 -0.274 0.000 0.909 155 P CB 0.248 31.415 31.700 -0.888 0.000 0.793 156 Q N -0.256 119.570 119.800 0.043 0.000 2.103 156 Q HA -0.282 4.058 4.340 -0.001 0.000 0.213 156 Q C 2.158 178.238 176.000 0.133 0.000 1.008 156 Q CA 2.205 58.114 55.803 0.176 0.000 0.879 156 Q CB -1.579 27.212 28.738 0.087 0.000 0.946 156 Q HN 0.187 nan 8.270 nan 0.000 0.413 157 A N 1.387 124.261 122.820 0.091 0.000 1.877 157 A HA -0.252 4.068 4.320 -0.001 0.000 0.216 157 A C 2.144 179.795 177.584 0.112 0.000 1.186 157 A CA 1.686 53.790 52.037 0.112 0.000 0.620 157 A CB -1.085 17.990 19.000 0.125 0.000 0.822 157 A HN 0.610 nan 8.150 nan 0.000 0.443 158 H N -0.841 118.228 119.070 -0.002 0.000 2.423 158 H HA -0.041 4.514 4.556 -0.001 0.000 0.297 158 H C 2.169 177.502 175.328 0.007 0.000 1.075 158 H CA 1.716 57.761 56.048 -0.005 0.000 1.342 158 H CB 0.060 29.796 29.762 -0.044 0.000 1.395 158 H HN 0.243 nan 8.280 nan 0.000 0.530 159 V N 0.920 120.878 119.914 0.073 0.000 2.270 159 V HA -0.222 3.897 4.120 -0.001 0.000 0.245 159 V C 2.505 178.603 176.094 0.006 0.000 1.043 159 V CA 1.282 63.591 62.300 0.014 0.000 1.014 159 V CB -0.392 31.428 31.823 -0.006 0.000 0.645 159 V HN 0.270 nan 8.190 nan 0.000 0.447 160 I N 0.035 120.653 120.570 0.080 0.000 2.335 160 I HA -0.183 3.987 4.170 -0.001 0.000 0.251 160 I C 2.484 178.685 176.117 0.141 0.000 1.129 160 I CA 1.292 62.657 61.300 0.109 0.000 1.402 160 I CB -1.129 36.963 38.000 0.153 0.000 1.069 160 I HN 0.422 nan 8.210 nan 0.000 0.424 161 E N 0.335 120.560 120.200 0.042 0.000 2.016 161 E HA -0.176 4.174 4.350 -0.001 0.000 0.190 161 E C 1.933 178.522 176.600 -0.018 0.000 0.985 161 E CA 0.991 57.383 56.400 -0.014 0.000 0.802 161 E CB -0.465 29.184 29.700 -0.085 0.000 0.762 161 E HN 0.450 nan 8.360 nan 0.000 0.448 162 N N 1.305 119.927 118.700 -0.129 0.000 2.069 162 N HA -0.201 4.538 4.740 -0.001 0.000 0.196 162 N C 1.771 177.282 175.510 0.001 0.000 1.024 162 N CA 0.772 53.767 53.050 -0.091 0.000 0.869 162 N CB -0.595 37.824 38.487 -0.115 0.000 1.035 162 N HN 0.028 nan 8.380 nan 0.000 0.434 163 L N 1.278 122.516 121.223 0.025 0.000 1.951 163 L HA -0.234 4.106 4.340 -0.001 0.000 0.222 163 L C 2.045 178.995 176.870 0.132 0.000 1.078 163 L CA 1.910 56.776 54.840 0.043 0.000 0.778 163 L CB -1.226 40.850 42.059 0.028 0.000 0.893 163 L HN 0.435 nan 8.230 nan 0.000 0.436 164 H N -1.163 117.980 119.070 0.123 0.000 2.394 164 H HA -0.169 4.386 4.556 -0.001 0.000 0.297 164 H C 1.860 177.302 175.328 0.190 0.000 1.113 164 H CA 1.329 57.507 56.048 0.217 0.000 1.277 164 H CB -0.033 29.811 29.762 0.137 0.000 1.370 164 H HN 0.534 nan 8.280 nan 0.000 0.506 165 A N 0.618 123.557 122.820 0.199 0.000 2.072 165 A HA 0.169 4.489 4.320 -0.001 0.000 0.216 165 A C 2.538 180.187 177.584 0.107 0.000 1.156 165 A CA 0.873 52.987 52.037 0.127 0.000 0.701 165 A CB -0.226 18.811 19.000 0.062 0.000 0.816 165 A HN 0.417 nan 8.150 nan 0.000 0.458 166 A N -0.037 122.830 122.820 0.078 0.000 1.874 166 A HA 0.332 4.652 4.320 -0.001 0.000 0.214 166 A C 2.430 180.028 177.584 0.024 0.000 1.189 166 A CA 1.518 53.584 52.037 0.048 0.000 0.615 166 A CB -0.906 18.084 19.000 -0.017 0.000 0.830 166 A HN 0.902 nan 8.150 nan 0.000 0.443 167 A N -1.528 121.267 122.820 -0.041 0.000 1.969 167 A HA 0.234 4.554 4.320 -0.001 0.000 0.218 167 A C 0.996 178.363 177.584 -0.362 0.000 1.169 167 A CA 0.669 52.541 52.037 -0.274 0.000 0.635 167 A CB -0.411 18.492 19.000 -0.162 0.000 0.810 167 A HN 0.500 nan 8.150 nan 0.000 0.445 168 Y N -2.341 117.979 120.300 0.035 0.000 2.565 168 Y HA 0.594 5.143 4.550 -0.001 0.000 0.325 168 Y C 1.634 177.544 175.900 0.017 0.000 1.221 168 Y CA -0.689 57.434 58.100 0.037 0.000 1.316 168 Y CB 0.823 39.304 38.460 0.036 0.000 1.404 168 Y HN -0.041 nan 8.280 nan 0.000 0.527 169 R N -0.306 120.280 120.500 0.144 0.000 2.215 169 R HA 0.020 4.359 4.340 -0.001 0.000 0.190 169 R C 1.203 177.504 176.300 0.001 0.000 0.968 169 R CA 0.911 56.991 56.100 -0.035 0.000 1.122 169 R CB 0.113 30.347 30.300 -0.110 0.000 1.151 169 R HN 0.851 nan 8.270 nan 0.000 0.582 170 N N -0.323 118.399 118.700 0.037 0.000 2.724 170 N HA 0.087 4.827 4.740 -0.001 0.000 0.226 170 N C 1.240 176.736 175.510 -0.023 0.000 1.030 170 N CA 0.959 54.010 53.050 0.002 0.000 1.038 170 N CB -0.309 38.178 38.487 -0.000 0.000 1.475 170 N HN 0.085 nan 8.380 nan 0.000 0.472 171 A N 1.271 124.058 122.820 -0.055 0.000 1.941 171 A HA 0.375 4.695 4.320 -0.001 0.000 0.214 171 A C 2.235 179.687 177.584 -0.219 0.000 1.368 171 A CA 0.377 52.329 52.037 -0.141 0.000 0.651 171 A CB -0.832 18.061 19.000 -0.178 0.000 1.064 171 A HN 0.164 nan 8.150 nan 0.000 0.492 172 L N 0.178 121.178 121.223 -0.372 0.000 2.551 172 L HA 0.025 4.365 4.340 -0.001 0.000 0.228 172 L C 2.440 179.157 176.870 -0.255 0.000 1.153 172 L CA 0.581 55.117 54.840 -0.506 0.000 0.851 172 L CB -0.433 41.055 42.059 -0.951 0.000 0.959 172 L HN 0.412 nan 8.230 nan 0.000 0.451 173 A N -0.526 122.250 122.820 -0.074 0.000 2.206 173 A HA -0.001 4.318 4.320 -0.001 0.000 0.211 173 A C 0.813 178.411 177.584 0.024 0.000 1.158 173 A CA 0.240 52.333 52.037 0.094 0.000 0.761 173 A CB -0.413 18.669 19.000 0.138 0.000 0.801 173 A HN 0.359 nan 8.150 nan 0.000 0.473 174 N N 1.075 119.747 118.700 -0.046 0.000 2.520 174 N HA 0.188 4.927 4.740 -0.001 0.000 0.273 174 N C 0.073 175.531 175.510 -0.087 0.000 1.155 174 N CA 0.299 53.314 53.050 -0.059 0.000 0.967 174 N CB 1.164 39.607 38.487 -0.072 0.000 1.092 174 N HN 0.307 nan 8.380 nan 0.000 0.457 175 S N 1.558 117.210 115.700 -0.080 0.000 2.632 175 S HA 0.283 4.753 4.470 -0.001 0.000 0.271 175 S C 1.444 175.944 174.600 -0.168 0.000 1.260 175 S CA -0.689 57.445 58.200 -0.109 0.000 1.010 175 S CB 0.611 63.778 63.200 -0.054 0.000 0.965 175 S HN 0.485 nan 8.310 nan 0.000 0.534 176 L N 1.211 122.265 121.223 -0.281 0.000 2.217 176 L HA 0.108 4.447 4.340 -0.001 0.000 0.211 176 L C -0.170 176.395 176.870 -0.508 0.000 1.107 176 L CA 0.571 55.143 54.840 -0.447 0.000 0.783 176 L CB -0.243 41.370 42.059 -0.745 0.000 0.919 176 L HN 0.639 nan 8.230 nan 0.000 0.442 177 Y N -1.702 118.553 120.300 -0.074 0.000 2.334 177 Y HA 0.217 4.767 4.550 -0.001 0.000 0.328 177 Y C 0.524 176.209 175.900 -0.359 0.000 1.130 177 Y CA -1.491 56.422 58.100 -0.312 0.000 1.163 177 Y CB 0.691 39.011 38.460 -0.235 0.000 1.207 177 Y HN -0.148 nan 8.280 nan 0.000 0.471 178 C N 5.303 124.338 119.300 -0.442 0.000 2.611 178 C HA 0.208 4.667 4.460 -0.001 0.000 0.416 178 C C -2.156 172.695 174.990 -0.232 0.000 1.366 178 C CA -1.361 57.474 59.018 -0.304 0.000 1.761 178 C CB -0.539 27.017 27.740 -0.307 0.000 2.619 178 C HN 0.560 nan 8.230 nan 0.000 0.606 179 P HA 0.161 nan 4.420 nan 0.000 0.276 179 P C 0.384 177.526 177.300 -0.262 0.000 1.230 179 P CA 0.149 63.111 63.100 -0.229 0.000 0.776 179 P CB 0.552 32.028 31.700 -0.373 0.000 0.888 180 D N 1.862 122.205 120.400 -0.096 0.000 2.157 180 D HA -0.238 4.402 4.640 -0.001 0.000 0.191 180 D C 1.577 177.844 176.300 -0.056 0.000 1.004 180 D CA 1.946 55.915 54.000 -0.051 0.000 0.854 180 D CB -0.712 40.098 40.800 0.016 0.000 0.936 180 D HN 0.624 nan 8.370 nan 0.000 0.446 181 Y N 0.319 120.609 120.300 -0.016 0.000 2.639 181 Y HA 0.070 4.620 4.550 -0.000 0.000 0.297 181 Y C 2.098 177.988 175.900 -0.017 0.000 1.151 181 Y CA 0.577 58.668 58.100 -0.015 0.000 1.335 181 Y CB -0.290 38.163 38.460 -0.012 0.000 0.994 181 Y HN -0.170 nan 8.280 nan 0.000 0.548 182 R N 0.403 120.586 120.500 -0.528 0.000 2.167 182 R HA 0.189 4.529 4.340 -0.001 0.000 0.201 182 R C 1.680 177.869 176.300 -0.186 0.000 1.024 182 R CA 0.979 56.823 56.100 -0.427 0.000 1.053 182 R CB -0.428 29.489 30.300 -0.638 0.000 0.987 182 R HN 0.357 nan 8.270 nan 0.000 0.493 183 I N 0.444 120.917 120.570 -0.162 0.000 3.256 183 I HA -0.442 3.728 4.170 -0.001 0.000 0.193 183 I C 2.097 178.187 176.117 -0.044 0.000 0.822 183 I CA 2.287 63.536 61.300 -0.085 0.000 1.104 183 I CB -0.686 37.279 38.000 -0.058 0.000 0.853 183 I HN 0.515 nan 8.210 nan 0.000 0.331 184 G N -0.681 108.105 108.800 -0.024 0.000 2.484 184 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.218 184 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.218 184 G C 1.446 176.342 174.900 -0.008 0.000 1.130 184 G CA 0.722 45.819 45.100 -0.006 0.000 0.784 184 G HN 0.405 nan 8.290 nan 0.000 0.543 185 K N 0.666 121.056 120.400 -0.017 0.000 2.551 185 K HA 0.131 4.451 4.320 -0.001 0.000 0.192 185 K C 0.195 176.776 176.600 -0.032 0.000 1.027 185 K CA -0.118 56.162 56.287 -0.012 0.000 1.059 185 K CB -0.005 32.499 32.500 0.007 0.000 0.831 185 K HN 0.060 nan 8.250 nan 0.000 0.508 186 V N 3.024 122.911 119.914 -0.045 0.000 2.381 186 V HA 0.025 4.145 4.120 -0.001 0.000 0.257 186 V C 0.381 176.441 176.094 -0.056 0.000 1.057 186 V CA -0.147 62.115 62.300 -0.064 0.000 1.013 186 V CB -0.142 31.633 31.823 -0.080 0.000 1.069 186 V HN 0.399 nan 8.190 nan 0.000 0.484 187 T N 3.538 118.058 114.554 -0.056 0.000 2.882 187 T HA 0.357 4.706 4.350 -0.001 0.000 0.287 187 T C -1.404 173.250 174.700 -0.077 0.000 0.992 187 T CA -1.971 60.100 62.100 -0.048 0.000 1.076 187 T CB 1.796 70.646 68.868 -0.030 0.000 0.961 187 T HN 0.348 nan 8.240 nan 0.000 0.490 188 P HA -0.163 nan 4.420 nan 0.000 0.218 188 P C 1.691 178.942 177.300 -0.082 0.000 1.154 188 P CA 0.702 63.760 63.100 -0.069 0.000 0.872 188 P CB -0.129 31.561 31.700 -0.016 0.000 0.790 189 V N -0.627 119.255 119.914 -0.054 0.000 2.594 189 V HA -0.236 3.883 4.120 -0.001 0.000 0.253 189 V C 2.379 178.455 176.094 -0.029 0.000 1.069 189 V CA 1.814 64.098 62.300 -0.028 0.000 1.082 189 V CB -1.114 30.695 31.823 -0.023 0.000 0.680 189 V HN 0.134 nan 8.190 nan 0.000 0.469 190 E N -0.099 120.056 120.200 -0.075 0.000 2.077 190 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 190 E C 2.113 178.617 176.600 -0.161 0.000 0.989 190 E CA 1.338 57.684 56.400 -0.091 0.000 0.800 190 E CB -0.183 29.451 29.700 -0.110 0.000 0.746 190 E HN 0.523 nan 8.360 nan 0.000 0.452 191 L N -0.765 120.259 121.223 -0.333 0.000 2.072 191 L HA -0.155 4.184 4.340 -0.001 0.000 0.205 191 L C 2.408 178.938 176.870 -0.567 0.000 1.079 191 L CA 1.435 55.877 54.840 -0.664 0.000 0.752 191 L CB -0.381 40.794 42.059 -1.474 0.000 0.906 191 L HN 0.233 nan 8.230 nan 0.000 0.436 192 H N 0.012 118.807 119.070 -0.459 0.000 2.352 192 H HA -0.197 4.359 4.556 -0.001 0.000 0.299 192 H C 1.835 177.104 175.328 -0.099 0.000 1.097 192 H CA 2.124 58.068 56.048 -0.172 0.000 1.311 192 H CB 0.102 29.832 29.762 -0.055 0.000 1.377 192 H HN 0.238 nan 8.280 nan 0.000 0.504 193 D N -0.738 119.672 120.400 0.017 0.000 2.084 193 D HA -0.178 4.462 4.640 -0.001 0.000 0.194 193 D C 1.875 178.174 176.300 -0.001 0.000 0.990 193 D CA 1.239 55.248 54.000 0.014 0.000 0.826 193 D CB -0.701 40.137 40.800 0.063 0.000 0.971 193 D HN 0.387 nan 8.370 nan 0.000 0.453 194 Y N 1.379 121.600 120.300 -0.132 0.000 2.114 194 Y HA -0.264 4.286 4.550 -0.001 0.000 0.282 194 Y C 2.269 178.046 175.900 -0.205 0.000 1.165 194 Y CA 1.192 59.231 58.100 -0.101 0.000 1.148 194 Y CB -0.479 37.823 38.460 -0.263 0.000 0.972 194 Y HN -0.171 nan 8.280 nan 0.000 0.504 195 V N 1.032 120.740 119.914 -0.343 0.000 2.287 195 V HA -0.403 3.717 4.120 -0.001 0.000 0.248 195 V C 2.410 178.326 176.094 -0.296 0.000 1.053 195 V CA 2.368 64.313 62.300 -0.591 0.000 1.027 195 V CB -1.194 30.398 31.823 -0.385 0.000 0.646 195 V HN 0.593 nan 8.190 nan 0.000 0.447 196 Q N 0.857 120.501 119.800 -0.259 0.000 2.030 196 Q HA -0.284 4.056 4.340 -0.001 0.000 0.204 196 Q C 1.986 177.885 176.000 -0.168 0.000 0.986 196 Q CA 2.486 58.168 55.803 -0.202 0.000 0.843 196 Q CB -0.370 28.228 28.738 -0.233 0.000 0.904 196 Q HN 0.664 nan 8.270 nan 0.000 0.420 197 N N 0.133 118.705 118.700 -0.214 0.000 2.106 197 N HA -0.127 4.612 4.740 -0.001 0.000 0.188 197 N C 1.655 176.856 175.510 -0.514 0.000 1.029 197 N CA 1.815 54.638 53.050 -0.379 0.000 0.848 197 N CB -0.392 37.773 38.487 -0.538 0.000 1.007 197 N HN 0.513 nan 8.380 nan 0.000 0.423 198 H N -1.484 117.408 119.070 -0.298 0.000 2.476 198 H HA 0.162 4.718 4.556 -0.001 0.000 0.292 198 H C 0.064 175.387 175.328 -0.008 0.000 1.019 198 H CA 0.098 55.970 56.048 -0.294 0.000 1.330 198 H CB -0.006 29.376 29.762 -0.634 0.000 1.451 198 H HN 0.083 nan 8.280 nan 0.000 0.535 199 F N 2.967 122.847 119.950 -0.117 0.000 2.651 199 F HA 0.161 4.688 4.527 -0.000 0.000 0.369 199 F C 1.020 176.771 175.800 -0.082 0.000 1.187 199 F CA -0.084 57.865 58.000 -0.084 0.000 1.335 199 F CB -0.824 38.137 39.000 -0.065 0.000 1.707 199 F HN -0.069 nan 8.300 nan 0.000 0.637 200 T N -1.185 113.410 114.554 0.068 0.000 2.927 200 T HA 0.344 4.694 4.350 -0.001 0.000 0.286 200 T C 1.415 176.117 174.700 0.003 0.000 1.040 200 T CA -0.278 61.830 62.100 0.013 0.000 1.010 200 T CB 1.291 70.141 68.868 -0.030 0.000 1.177 200 T HN 0.229 nan 8.240 nan 0.000 0.546 201 S N 1.411 117.112 115.700 0.002 0.000 2.351 201 S HA -0.103 4.366 4.470 -0.001 0.000 0.220 201 S C 2.372 176.975 174.600 0.004 0.000 1.035 201 S CA 1.328 59.532 58.200 0.006 0.000 1.031 201 S CB -0.974 62.232 63.200 0.010 0.000 0.928 201 S HN 0.854 nan 8.310 nan 0.000 0.433 202 A N 1.635 124.454 122.820 -0.002 0.000 2.076 202 A HA -0.112 4.208 4.320 -0.001 0.000 0.220 202 A C 2.049 179.633 177.584 -0.001 0.000 1.160 202 A CA 1.281 53.318 52.037 -0.001 0.000 0.653 202 A CB -0.407 18.590 19.000 -0.005 0.000 0.801 202 A HN 0.526 nan 8.150 nan 0.000 0.455 203 R N -1.655 118.841 120.500 -0.007 0.000 2.362 203 R HA 0.361 4.701 4.340 -0.001 0.000 0.227 203 R C 0.048 176.350 176.300 0.005 0.000 0.905 203 R CA -0.117 55.979 56.100 -0.006 0.000 1.067 203 R CB 0.203 30.485 30.300 -0.031 0.000 1.078 203 R HN 0.429 nan 8.270 nan 0.000 0.516 204 M N 0.488 120.092 119.600 0.006 0.000 2.478 204 M HA 0.496 4.975 4.480 -0.001 0.000 0.327 204 M C -0.701 175.617 176.300 0.031 0.000 1.187 204 M CA -0.669 54.641 55.300 0.016 0.000 1.022 204 M CB 2.142 34.742 32.600 -0.000 0.000 1.629 204 M HN -0.035 nan 8.290 nan 0.000 0.461 205 A N 3.163 126.021 122.820 0.062 0.000 2.599 205 A HA 0.579 4.899 4.320 -0.001 0.000 0.281 205 A C -1.221 176.431 177.584 0.114 0.000 1.137 205 A CA -0.619 51.452 52.037 0.056 0.000 0.767 205 A CB 0.725 19.723 19.000 -0.003 0.000 1.266 205 A HN 0.662 nan 8.150 nan 0.000 0.420 206 L N 2.588 123.854 121.223 0.072 0.000 2.464 206 L HA 0.503 4.843 4.340 -0.001 0.000 0.264 206 L C -0.167 176.747 176.870 0.074 0.000 1.199 206 L CA 0.453 55.336 54.840 0.073 0.000 0.818 206 L CB 0.499 42.575 42.059 0.027 0.000 1.102 206 L HN 0.559 nan 8.230 nan 0.000 0.473 207 I N 2.160 122.787 120.570 0.095 0.000 2.667 207 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 207 I C -0.078 176.080 176.117 0.068 0.000 1.267 207 I CA -0.357 60.993 61.300 0.084 0.000 1.055 207 I CB 1.310 39.412 38.000 0.171 0.000 1.294 207 I HN 0.608 nan 8.210 nan 0.000 0.429 208 G N 4.027 112.843 108.800 0.028 0.000 2.416 208 G HA2 0.580 4.539 3.960 -0.001 0.000 0.329 208 G HA3 0.580 4.539 3.960 -0.001 0.000 0.329 208 G C -0.210 174.710 174.900 0.032 0.000 1.173 208 G CA -0.304 44.808 45.100 0.021 0.000 0.929 208 G HN 0.554 nan 8.290 nan 0.000 0.475 209 L N 1.735 122.969 121.223 0.018 0.000 2.664 209 L HA 0.485 4.825 4.340 -0.001 0.000 0.233 209 L C 1.473 178.310 176.870 -0.055 0.000 1.113 209 L CA 0.883 55.718 54.840 -0.009 0.000 0.896 209 L CB 0.767 42.820 42.059 -0.010 0.000 1.163 209 L HN 0.658 nan 8.230 nan 0.000 0.497 210 G N -0.747 108.030 108.800 -0.038 0.000 5.253 210 G HA2 0.418 4.377 3.960 -0.001 0.000 0.238 210 G HA3 0.418 4.377 3.960 -0.001 0.000 0.238 210 G C -1.011 173.875 174.900 -0.024 0.000 0.867 210 G CA 0.033 45.105 45.100 -0.046 0.000 0.717 210 G HN -0.030 nan 8.290 nan 0.000 0.405 211 V N 1.126 121.034 119.914 -0.010 0.000 2.815 211 V HA 0.636 4.756 4.120 -0.001 0.000 0.314 211 V C 0.714 176.822 176.094 0.023 0.000 1.064 211 V CA -0.809 61.492 62.300 0.003 0.000 0.952 211 V CB 1.944 33.768 31.823 0.002 0.000 1.020 211 V HN 0.479 nan 8.190 nan 0.000 0.439 212 S N 1.271 116.992 115.700 0.035 0.000 2.525 212 S HA 0.033 4.502 4.470 -0.001 0.000 0.285 212 S C 0.983 175.652 174.600 0.114 0.000 1.283 212 S CA 0.361 58.598 58.200 0.062 0.000 1.072 212 S CB -0.142 63.087 63.200 0.047 0.000 0.867 212 S HN 0.918 nan 8.310 nan 0.000 0.492 213 H N 4.731 123.809 119.070 0.013 0.000 2.357 213 H HA -0.007 4.549 4.556 -0.001 0.000 0.301 213 H C -0.809 174.530 175.328 0.019 0.000 1.082 213 H CA 1.073 57.132 56.048 0.018 0.000 1.342 213 H CB -0.625 29.145 29.762 0.014 0.000 1.389 213 H HN 0.558 nan 8.280 nan 0.000 0.511 214 P HA -0.175 nan 4.420 nan 0.000 0.214 214 P C 1.782 179.127 177.300 0.076 0.000 1.163 214 P CA 1.138 64.260 63.100 0.037 0.000 0.889 214 P CB -0.108 31.595 31.700 0.006 0.000 0.790 215 V N -0.904 119.056 119.914 0.077 0.000 2.667 215 V HA -0.147 3.972 4.120 -0.001 0.000 0.252 215 V C 2.539 178.685 176.094 0.087 0.000 1.065 215 V CA 0.987 63.327 62.300 0.068 0.000 1.083 215 V CB -1.098 30.753 31.823 0.046 0.000 0.692 215 V HN -0.037 nan 8.190 nan 0.000 0.468 216 L N 0.372 121.661 121.223 0.111 0.000 1.976 216 L HA -0.173 4.167 4.340 -0.001 0.000 0.209 216 L C 2.422 179.369 176.870 0.128 0.000 1.071 216 L CA 2.161 57.059 54.840 0.098 0.000 0.746 216 L CB -0.934 41.163 42.059 0.063 0.000 0.890 216 L HN 0.242 nan 8.230 nan 0.000 0.432 217 K N -0.798 119.724 120.400 0.205 0.000 2.000 217 K HA -0.319 4.001 4.320 -0.001 0.000 0.218 217 K C 2.133 178.804 176.600 0.119 0.000 1.053 217 K CA 2.348 58.743 56.287 0.181 0.000 0.946 217 K CB -0.423 32.187 32.500 0.184 0.000 0.723 217 K HN 0.479 nan 8.250 nan 0.000 0.446 218 Q N 0.289 120.147 119.800 0.097 0.000 2.045 218 Q HA -0.251 4.089 4.340 -0.001 0.000 0.215 218 Q C 2.065 178.133 176.000 0.114 0.000 1.026 218 Q CA 2.741 58.592 55.803 0.079 0.000 0.885 218 Q CB -0.424 28.355 28.738 0.068 0.000 0.984 218 Q HN 0.312 nan 8.270 nan 0.000 0.414 219 V N 0.493 120.501 119.914 0.155 0.000 2.252 219 V HA -0.350 3.769 4.120 -0.001 0.000 0.249 219 V C 2.326 178.593 176.094 0.288 0.000 1.056 219 V CA 2.261 64.722 62.300 0.269 0.000 1.022 219 V CB -1.023 30.903 31.823 0.172 0.000 0.641 219 V HN 0.622 nan 8.190 nan 0.000 0.445 220 A N -0.638 122.283 122.820 0.169 0.000 1.903 220 A HA -0.330 3.990 4.320 -0.001 0.000 0.219 220 A C 2.030 179.686 177.584 0.120 0.000 1.191 220 A CA 2.367 54.486 52.037 0.137 0.000 0.638 220 A CB -0.693 18.367 19.000 0.101 0.000 0.823 220 A HN 0.721 nan 8.150 nan 0.000 0.451 221 E N -1.197 119.056 120.200 0.088 0.000 2.110 221 E HA -0.255 4.094 4.350 -0.001 0.000 0.193 221 E C 2.212 178.801 176.600 -0.018 0.000 0.988 221 E CA 1.413 57.836 56.400 0.038 0.000 0.804 221 E CB -0.135 29.581 29.700 0.027 0.000 0.745 221 E HN 0.807 nan 8.360 nan 0.000 0.458 222 Q N -0.750 119.019 119.800 -0.051 0.000 2.187 222 Q HA -0.044 4.296 4.340 -0.001 0.000 0.199 222 Q C 0.910 176.594 176.000 -0.526 0.000 0.957 222 Q CA 1.044 56.655 55.803 -0.321 0.000 0.857 222 Q CB 0.293 28.760 28.738 -0.452 0.000 0.929 222 Q HN 0.220 nan 8.270 nan 0.000 0.453 223 F N -1.694 118.258 119.950 0.003 0.000 2.784 223 F HA 0.254 4.780 4.527 -0.001 0.000 0.323 223 F C 0.534 176.332 175.800 -0.003 0.000 1.085 223 F CA -0.090 57.910 58.000 -0.001 0.000 1.196 223 F CB 0.874 39.871 39.000 -0.005 0.000 1.053 223 F HN -0.100 nan 8.300 nan 0.000 0.578 224 L N 0.564 121.874 121.223 0.146 0.000 3.062 224 L HA 0.287 4.626 4.340 -0.001 0.000 0.255 224 L C -0.013 176.886 176.870 0.048 0.000 1.274 224 L CA -0.043 54.850 54.840 0.088 0.000 1.047 224 L CB -0.275 41.828 42.059 0.074 0.000 1.402 224 L HN -0.022 nan 8.230 nan 0.000 0.550 225 N N 2.022 120.741 118.700 0.031 0.000 2.955 225 N HA 0.434 5.173 4.740 -0.001 0.000 0.242 225 N C -0.974 174.542 175.510 0.009 0.000 1.123 225 N CA -0.109 52.948 53.050 0.013 0.000 0.949 225 N CB 0.308 38.794 38.487 -0.002 0.000 1.214 225 N HN 0.170 nan 8.380 nan 0.000 0.504 226 I N 1.406 121.983 120.570 0.012 0.000 2.608 226 I HA 0.462 4.631 4.170 -0.001 0.000 0.295 226 I C 0.016 176.131 176.117 -0.004 0.000 1.049 226 I CA -1.008 60.296 61.300 0.006 0.000 1.063 226 I CB 1.852 39.860 38.000 0.012 0.000 1.248 226 I HN 0.010 nan 8.210 nan 0.000 0.424 227 R N 2.639 123.133 120.500 -0.010 0.000 2.486 227 R HA 0.845 5.185 4.340 -0.001 0.000 0.286 227 R C -0.327 175.952 176.300 -0.034 0.000 0.999 227 R CA -0.781 55.308 56.100 -0.018 0.000 0.993 227 R CB 1.643 31.934 30.300 -0.014 0.000 1.084 227 R HN 0.903 nan 8.270 nan 0.000 0.487 228 G N 0.345 109.119 108.800 -0.044 0.000 1.895 228 G HA2 0.404 4.364 3.960 -0.001 0.000 0.302 228 G HA3 0.404 4.364 3.960 -0.001 0.000 0.302 228 G C -0.455 174.400 174.900 -0.075 0.000 1.691 228 G CA -0.458 44.597 45.100 -0.075 0.000 0.929 228 G HN 0.715 nan 8.290 nan 0.000 0.629 229 G N 0.096 108.855 108.800 -0.068 0.000 2.616 229 G HA2 0.581 4.541 3.960 -0.001 0.000 0.268 229 G HA3 0.581 4.541 3.960 -0.001 0.000 0.268 229 G C 0.349 175.207 174.900 -0.069 0.000 1.213 229 G CA -0.740 44.330 45.100 -0.050 0.000 0.926 229 G HN 0.740 nan 8.290 nan 0.000 0.523 230 L N -0.154 121.053 121.223 -0.027 0.000 2.421 230 L HA 0.491 4.831 4.340 -0.001 0.000 0.263 230 L C 1.408 178.295 176.870 0.029 0.000 1.122 230 L CA 0.561 55.403 54.840 0.004 0.000 0.804 230 L CB 1.255 43.351 42.059 0.061 0.000 1.150 230 L HN 0.954 nan 8.230 nan 0.000 0.457 231 G N 2.168 111.025 108.800 0.095 0.000 2.225 231 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.264 231 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.264 231 G C 0.385 175.327 174.900 0.069 0.000 1.060 231 G CA 0.042 45.220 45.100 0.129 0.000 0.833 231 G HN 0.538 nan 8.290 nan 0.000 0.498 232 L N 0.353 121.576 121.223 -0.000 0.000 2.591 232 L HA 0.095 4.435 4.340 -0.001 0.000 0.228 232 L C 2.486 179.409 176.870 0.087 0.000 1.133 232 L CA 1.088 55.922 54.840 -0.010 0.000 0.880 232 L CB -0.045 41.952 42.059 -0.104 0.000 1.033 232 L HN 0.481 nan 8.230 nan 0.000 0.450 233 S N -1.056 114.773 115.700 0.215 0.000 2.441 233 S HA 0.239 4.709 4.470 -0.001 0.000 0.224 233 S C 1.254 175.965 174.600 0.184 0.000 1.043 233 S CA 0.426 58.818 58.200 0.319 0.000 0.948 233 S CB 0.620 64.185 63.200 0.609 0.000 0.810 233 S HN 0.363 nan 8.310 nan 0.000 0.504 234 G N 1.314 110.205 108.800 0.150 0.000 2.857 234 G HA2 0.311 4.271 3.960 -0.001 0.000 0.166 234 G HA3 0.311 4.271 3.960 -0.001 0.000 0.166 234 G C -0.125 174.799 174.900 0.040 0.000 1.060 234 G CA -0.543 44.604 45.100 0.078 0.000 0.976 234 G HN 0.830 nan 8.290 nan 0.000 0.549 235 A N 0.597 123.449 122.820 0.054 0.000 2.407 235 A HA 0.887 5.206 4.320 -0.001 0.000 0.248 235 A C 0.611 178.189 177.584 -0.009 0.000 1.082 235 A CA 1.189 53.223 52.037 -0.006 0.000 0.785 235 A CB 0.864 19.910 19.000 0.075 0.000 1.020 235 A HN 2.011 nan 8.150 nan 0.000 0.489 236 K N -0.176 120.202 120.400 -0.037 0.000 3.189 236 K HA 0.452 4.771 4.320 -0.001 0.000 0.368 236 K C -1.343 175.250 176.600 -0.012 0.000 1.185 236 K CA -0.085 56.198 56.287 -0.007 0.000 0.941 236 K CB -0.259 32.245 32.500 0.007 0.000 1.325 236 K HN 1.660 nan 8.250 nan 0.000 0.411 237 A N 2.318 125.155 122.820 0.027 0.000 2.387 237 A HA 0.932 5.252 4.320 -0.001 0.000 0.298 237 A C -1.295 176.363 177.584 0.122 0.000 1.165 237 A CA -0.481 51.593 52.037 0.061 0.000 0.814 237 A CB 1.912 20.957 19.000 0.076 0.000 1.357 237 A HN 0.591 nan 8.150 nan 0.000 0.443 238 K N -0.164 120.373 120.400 0.230 0.000 2.622 238 K HA 0.228 4.548 4.320 -0.001 0.000 0.263 238 K C -2.596 174.201 176.600 0.327 0.000 0.947 238 K CA -0.360 56.063 56.287 0.226 0.000 0.885 238 K CB 1.401 33.984 32.500 0.138 0.000 1.362 238 K HN 0.824 nan 8.250 nan 0.000 0.413 239 Y N 4.204 124.542 120.300 0.063 0.000 2.409 239 Y HA 0.517 5.066 4.550 -0.001 0.000 0.339 239 Y C -1.039 174.845 175.900 -0.026 0.000 1.033 239 Y CA -0.516 57.509 58.100 -0.125 0.000 1.094 239 Y CB 1.085 39.411 38.460 -0.224 0.000 1.210 239 Y HN 0.579 nan 8.280 nan 0.000 0.456 240 H N 4.551 123.089 119.070 -0.886 0.000 2.934 240 H HA 0.424 4.980 4.556 -0.001 0.000 0.340 240 H C -0.841 173.944 175.328 -0.904 0.000 1.008 240 H CA -0.450 55.198 56.048 -0.667 0.000 1.317 240 H CB 1.271 30.852 29.762 -0.300 0.000 1.670 240 H HN 1.045 nan 8.280 nan 0.000 0.516 241 G N 1.852 109.963 108.800 -1.149 0.000 2.441 241 G HA2 0.463 4.422 3.960 -0.001 0.000 0.243 241 G HA3 0.463 4.422 3.960 -0.001 0.000 0.243 241 G C -0.099 174.210 174.900 -0.985 0.000 1.281 241 G CA 0.303 44.891 45.100 -0.852 0.000 0.854 241 G HN 0.856 nan 8.290 nan 0.000 0.560 242 G N 0.760 109.226 108.800 -0.557 0.000 2.547 242 G HA2 0.607 4.567 3.960 -0.001 0.000 0.291 242 G HA3 0.607 4.567 3.960 -0.001 0.000 0.291 242 G C -1.260 173.543 174.900 -0.161 0.000 1.471 242 G CA -0.740 44.165 45.100 -0.325 0.000 0.798 242 G HN 0.843 nan 8.290 nan 0.000 0.504 243 E N -0.011 120.138 120.200 -0.085 0.000 2.234 243 E HA 0.657 5.007 4.350 -0.001 0.000 0.266 243 E C -1.106 175.461 176.600 -0.056 0.000 0.877 243 E CA -0.977 55.371 56.400 -0.086 0.000 0.758 243 E CB 2.647 32.289 29.700 -0.098 0.000 1.170 243 E HN 0.364 nan 8.360 nan 0.000 0.415 244 I N 3.013 123.543 120.570 -0.067 0.000 2.382 244 I HA 0.371 4.540 4.170 -0.001 0.000 0.286 244 I C -0.370 175.708 176.117 -0.064 0.000 1.002 244 I CA -0.829 60.447 61.300 -0.040 0.000 1.135 244 I CB 1.419 39.406 38.000 -0.021 0.000 1.288 244 I HN 0.416 nan 8.210 nan 0.000 0.448 245 R N 4.763 125.228 120.500 -0.057 0.000 2.393 245 R HA 0.364 4.704 4.340 -0.001 0.000 0.315 245 R C -0.538 175.744 176.300 -0.029 0.000 0.952 245 R CA -0.614 55.439 56.100 -0.078 0.000 0.842 245 R CB 2.296 32.511 30.300 -0.141 0.000 1.163 245 R HN 0.521 nan 8.270 nan 0.000 0.450 246 E N 3.292 123.479 120.200 -0.022 0.000 2.121 246 E HA 0.045 4.395 4.350 -0.001 0.000 0.255 246 E C -0.989 175.596 176.600 -0.025 0.000 0.906 246 E CA -0.571 55.826 56.400 -0.005 0.000 0.745 246 E CB 1.090 30.807 29.700 0.029 0.000 1.155 246 E HN 0.379 nan 8.360 nan 0.000 0.424 247 Q N 3.125 122.911 119.800 -0.023 0.000 2.364 247 Q HA 0.110 4.450 4.340 -0.001 0.000 0.267 247 Q C -0.826 175.154 176.000 -0.033 0.000 0.999 247 Q CA 0.400 56.188 55.803 -0.025 0.000 0.886 247 Q CB 0.662 29.392 28.738 -0.014 0.000 1.243 247 Q HN 0.401 nan 8.270 nan 0.000 0.415 248 N N 0.801 119.481 118.700 -0.034 0.000 3.283 248 N HA 0.608 5.347 4.740 -0.001 0.000 0.338 248 N C -0.354 175.138 175.510 -0.030 0.000 1.517 248 N CA -0.028 52.999 53.050 -0.037 0.000 0.733 248 N CB 1.342 39.807 38.487 -0.038 0.000 1.797 248 N HN 0.592 nan 8.380 nan 0.000 0.637 249 G N -1.419 107.364 108.800 -0.029 0.000 3.104 249 G HA2 0.019 3.978 3.960 -0.001 0.000 0.237 249 G HA3 0.019 3.978 3.960 -0.001 0.000 0.237 249 G C -0.245 174.643 174.900 -0.020 0.000 1.035 249 G CA -0.011 45.075 45.100 -0.024 0.000 0.844 249 G HN 0.459 nan 8.290 nan 0.000 0.531 250 D N 1.473 121.863 120.400 -0.016 0.000 2.424 250 D HA 0.110 4.749 4.640 -0.001 0.000 0.244 250 D C 2.038 178.337 176.300 -0.001 0.000 1.134 250 D CA 0.514 54.512 54.000 -0.004 0.000 0.881 250 D CB 1.631 42.435 40.800 0.006 0.000 1.191 250 D HN 0.129 nan 8.370 nan 0.000 0.445 251 S N 4.248 119.949 115.700 0.002 0.000 2.368 251 S HA -0.183 4.286 4.470 -0.001 0.000 0.226 251 S C 1.394 175.999 174.600 0.009 0.000 1.044 251 S CA 0.682 58.880 58.200 -0.003 0.000 1.062 251 S CB -0.520 62.682 63.200 0.003 0.000 0.931 251 S HN 0.527 nan 8.310 nan 0.000 0.440 252 L N 1.672 122.919 121.223 0.041 0.000 2.436 252 L HA 0.608 4.948 4.340 -0.001 0.000 0.265 252 L C 0.068 176.998 176.870 0.099 0.000 1.168 252 L CA -0.641 54.242 54.840 0.073 0.000 0.815 252 L CB 1.106 43.230 42.059 0.108 0.000 1.109 252 L HN 0.288 nan 8.230 nan 0.000 0.462 253 V N 1.760 121.737 119.914 0.105 0.000 2.709 253 V HA 0.459 4.579 4.120 -0.001 0.000 0.308 253 V C -0.800 175.391 176.094 0.161 0.000 1.062 253 V CA -0.330 62.036 62.300 0.110 0.000 0.901 253 V CB 1.829 33.670 31.823 0.030 0.000 1.003 253 V HN 0.708 nan 8.190 nan 0.000 0.425 254 H N 4.773 123.826 119.070 -0.029 0.000 2.524 254 H HA 0.864 5.419 4.556 -0.001 0.000 0.353 254 H C -0.214 174.965 175.328 -0.247 0.000 1.136 254 H CA -0.318 55.676 56.048 -0.090 0.000 1.193 254 H CB 2.249 31.990 29.762 -0.034 0.000 1.558 254 H HN 1.022 nan 8.280 nan 0.000 0.515 255 A N 1.538 124.188 122.820 -0.283 0.000 2.572 255 A HA 0.720 5.040 4.320 -0.001 0.000 0.295 255 A C -1.421 175.836 177.584 -0.545 0.000 1.072 255 A CA -0.500 51.336 52.037 -0.336 0.000 0.691 255 A CB 1.717 20.598 19.000 -0.198 0.000 1.291 255 A HN 0.738 nan 8.150 nan 0.000 0.404 256 A N 0.764 123.295 122.820 -0.481 0.000 2.343 256 A HA 0.733 5.053 4.320 -0.001 0.000 0.316 256 A C -1.494 175.867 177.584 -0.372 0.000 1.104 256 A CA -0.419 51.334 52.037 -0.474 0.000 0.768 256 A CB 1.072 19.794 19.000 -0.464 0.000 1.213 256 A HN 1.432 nan 8.150 nan 0.000 0.456 257 L N 3.284 124.218 121.223 -0.481 0.000 2.343 257 L HA 0.741 5.080 4.340 -0.001 0.000 0.278 257 L C -1.097 175.738 176.870 -0.057 0.000 0.996 257 L CA -0.361 54.276 54.840 -0.339 0.000 0.831 257 L CB 1.479 43.262 42.059 -0.459 0.000 1.232 257 L HN 0.467 nan 8.230 nan 0.000 0.413 258 V N 3.893 123.853 119.914 0.078 0.000 2.851 258 V HA 0.881 5.001 4.120 -0.001 0.000 0.307 258 V C -0.472 175.724 176.094 0.170 0.000 1.129 258 V CA -0.436 62.012 62.300 0.248 0.000 0.932 258 V CB 1.930 33.882 31.823 0.215 0.000 1.024 258 V HN 0.900 nan 8.190 nan 0.000 0.426 259 A N 2.655 125.607 122.820 0.220 0.000 2.356 259 A HA 0.733 5.052 4.320 -0.001 0.000 0.323 259 A C -0.070 177.400 177.584 -0.190 0.000 1.119 259 A CA -0.656 51.364 52.037 -0.029 0.000 0.790 259 A CB 1.045 20.001 19.000 -0.074 0.000 1.273 259 A HN 0.891 nan 8.150 nan 0.000 0.452 260 E N 1.277 121.080 120.200 -0.663 0.000 2.924 260 E HA 0.053 4.403 4.350 -0.001 0.000 0.236 260 E C 0.876 177.243 176.600 -0.388 0.000 1.028 260 E CA 0.362 56.355 56.400 -0.678 0.000 0.952 260 E CB 0.146 29.343 29.700 -0.838 0.000 0.918 260 E HN 0.739 nan 8.360 nan 0.000 0.536 261 S N 3.384 118.860 115.700 -0.374 0.000 2.634 261 S HA 0.386 4.856 4.470 -0.001 0.000 0.254 261 S C 0.265 174.513 174.600 -0.587 0.000 1.299 261 S CA -0.317 57.443 58.200 -0.734 0.000 0.974 261 S CB 1.176 64.069 63.200 -0.513 0.000 1.001 261 S HN 0.533 nan 8.310 nan 0.000 0.584 262 A N 0.343 122.746 122.820 -0.695 0.000 2.271 262 A HA 0.758 5.078 4.320 -0.001 0.000 0.288 262 A C 0.654 178.219 177.584 -0.031 0.000 1.094 262 A CA -0.362 51.648 52.037 -0.046 0.000 0.828 262 A CB -0.116 19.091 19.000 0.344 0.000 1.091 262 A HN 1.523 nan 8.150 nan 0.000 0.493 263 A N 0.312 123.150 122.820 0.031 0.000 2.327 263 A HA 0.494 4.814 4.320 -0.001 0.000 0.255 263 A C 0.360 177.964 177.584 0.033 0.000 1.099 263 A CA -0.332 51.729 52.037 0.040 0.000 0.801 263 A CB -0.137 18.896 19.000 0.055 0.000 1.062 263 A HN 1.021 nan 8.150 nan 0.000 0.496 264 I N 0.540 121.128 120.570 0.031 0.000 2.683 264 I HA 0.344 4.513 4.170 -0.001 0.000 0.286 264 I C 1.426 177.550 176.117 0.011 0.000 1.175 264 I CA 1.823 63.132 61.300 0.013 0.000 1.429 264 I CB 0.368 38.381 38.000 0.021 0.000 1.371 264 I HN 1.175 nan 8.210 nan 0.000 0.569 265 G N 4.100 112.900 108.800 -0.000 0.000 2.233 265 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.270 265 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.270 265 G C 0.127 175.023 174.900 -0.007 0.000 1.011 265 G CA 0.516 45.609 45.100 -0.011 0.000 0.762 265 G HN 0.741 nan 8.290 nan 0.000 0.511 266 S N -0.967 114.738 115.700 0.009 0.000 2.664 266 S HA 0.827 5.297 4.470 -0.001 0.000 0.304 266 S C 1.511 176.119 174.600 0.013 0.000 1.099 266 S CA 0.080 58.287 58.200 0.012 0.000 1.003 266 S CB 1.973 65.190 63.200 0.028 0.000 1.092 266 S HN 1.257 nan 8.310 nan 0.000 0.525 267 A N 1.296 124.117 122.820 0.002 0.000 1.841 267 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 267 A C 1.884 179.466 177.584 -0.003 0.000 1.199 267 A CA 1.805 53.834 52.037 -0.012 0.000 0.621 267 A CB -1.189 17.797 19.000 -0.025 0.000 0.835 267 A HN 0.929 nan 8.150 nan 0.000 0.445 268 E N -0.488 119.720 120.200 0.013 0.000 2.113 268 E HA -0.327 4.023 4.350 -0.001 0.000 0.210 268 E C 2.303 178.997 176.600 0.158 0.000 1.040 268 E CA 1.371 57.788 56.400 0.029 0.000 0.847 268 E CB -0.466 29.310 29.700 0.127 0.000 0.755 268 E HN 0.619 nan 8.360 nan 0.000 0.459 269 A N 1.890 124.845 122.820 0.224 0.000 1.862 269 A HA -0.361 3.958 4.320 -0.001 0.000 0.217 269 A C 1.966 179.662 177.584 0.187 0.000 1.251 269 A CA 2.103 54.292 52.037 0.253 0.000 0.673 269 A CB -1.189 17.870 19.000 0.099 0.000 0.843 269 A HN 0.276 nan 8.150 nan 0.000 0.458 270 N N 0.031 118.775 118.700 0.073 0.000 2.165 270 N HA -0.307 4.432 4.740 -0.001 0.000 0.200 270 N C 1.831 177.345 175.510 0.006 0.000 0.991 270 N CA 2.571 55.636 53.050 0.026 0.000 0.904 270 N CB -0.710 37.769 38.487 -0.013 0.000 1.068 270 N HN 0.534 nan 8.380 nan 0.000 0.530 271 A N 0.093 122.880 122.820 -0.055 0.000 1.859 271 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 271 A C 2.256 179.734 177.584 -0.177 0.000 1.198 271 A CA 1.743 53.683 52.037 -0.160 0.000 0.629 271 A CB -1.280 17.547 19.000 -0.288 0.000 0.830 271 A HN 0.333 nan 8.150 nan 0.000 0.446 272 F N 1.062 120.924 119.950 -0.147 0.000 2.045 272 F HA -0.286 4.241 4.527 -0.001 0.000 0.297 272 F C 2.924 178.658 175.800 -0.109 0.000 1.114 272 F CA 2.067 59.916 58.000 -0.251 0.000 1.207 272 F CB -0.920 37.928 39.000 -0.255 0.000 0.964 272 F HN 0.184 nan 8.300 nan 0.000 0.486 273 S N 0.048 115.856 115.700 0.179 0.000 2.372 273 S HA -0.222 4.247 4.470 -0.001 0.000 0.227 273 S C 2.218 176.943 174.600 0.207 0.000 1.044 273 S CA 1.653 59.956 58.200 0.171 0.000 1.050 273 S CB -0.896 62.387 63.200 0.138 0.000 0.901 273 S HN 0.201 nan 8.310 nan 0.000 0.447 274 V N 1.954 121.943 119.914 0.125 0.000 2.358 274 V HA -0.121 3.998 4.120 -0.001 0.000 0.246 274 V C 2.252 178.419 176.094 0.122 0.000 1.047 274 V CA 1.576 63.950 62.300 0.123 0.000 1.035 274 V CB -0.884 30.955 31.823 0.026 0.000 0.658 274 V HN 0.400 nan 8.190 nan 0.000 0.452 275 L N 0.685 121.928 121.223 0.033 0.000 2.017 275 L HA -0.223 4.117 4.340 -0.001 0.000 0.208 275 L C 2.543 179.515 176.870 0.169 0.000 1.073 275 L CA 2.537 57.389 54.840 0.021 0.000 0.745 275 L CB -1.125 40.847 42.059 -0.145 0.000 0.894 275 L HN 0.503 nan 8.230 nan 0.000 0.432 276 Q N -1.092 118.868 119.800 0.266 0.000 2.082 276 Q HA -0.341 3.999 4.340 -0.001 0.000 0.211 276 Q C 2.185 178.263 176.000 0.130 0.000 1.002 276 Q CA 2.434 58.449 55.803 0.354 0.000 0.868 276 Q CB -0.571 28.314 28.738 0.246 0.000 0.931 276 Q HN 0.690 nan 8.270 nan 0.000 0.414 277 H N -0.614 118.544 119.070 0.147 0.000 2.489 277 H HA -0.070 4.485 4.556 -0.001 0.000 0.295 277 H C 2.128 177.514 175.328 0.097 0.000 1.082 277 H CA 1.421 57.537 56.048 0.113 0.000 1.295 277 H CB 0.188 30.004 29.762 0.090 0.000 1.380 277 H HN 0.205 nan 8.280 nan 0.000 0.548 278 V N 0.483 120.515 119.914 0.197 0.000 2.667 278 V HA -0.180 3.940 4.120 -0.001 0.000 0.252 278 V C 2.243 178.404 176.094 0.111 0.000 1.065 278 V CA 1.174 63.551 62.300 0.128 0.000 1.083 278 V CB -0.227 31.646 31.823 0.084 0.000 0.692 278 V HN 0.201 nan 8.190 nan 0.000 0.468 279 L N -0.245 121.046 121.223 0.113 0.000 2.537 279 L HA 0.405 4.744 4.340 -0.001 0.000 0.224 279 L C 1.705 178.626 176.870 0.086 0.000 1.065 279 L CA 0.649 55.540 54.840 0.085 0.000 0.860 279 L CB -0.623 41.472 42.059 0.061 0.000 1.086 279 L HN 0.312 nan 8.230 nan 0.000 0.482 280 G N 0.872 109.720 108.800 0.081 0.000 2.097 280 G HA2 0.222 4.182 3.960 -0.001 0.000 0.256 280 G HA3 0.222 4.182 3.960 -0.001 0.000 0.256 280 G C 0.218 175.150 174.900 0.053 0.000 1.082 280 G CA 0.431 45.553 45.100 0.036 0.000 0.956 280 G HN 0.327 nan 8.290 nan 0.000 0.420 281 A N 3.280 126.123 122.820 0.038 0.000 3.158 281 A HA 0.658 4.978 4.320 -0.001 0.000 0.319 281 A C 0.824 178.365 177.584 -0.072 0.000 1.204 281 A CA 0.004 52.042 52.037 0.002 0.000 0.992 281 A CB 0.339 19.396 19.000 0.095 0.000 1.110 281 A HN 1.184 nan 8.150 nan 0.000 0.519 282 G N 2.550 111.268 108.800 -0.137 0.000 2.607 282 G HA2 0.527 4.487 3.960 -0.001 0.000 0.332 282 G HA3 0.527 4.487 3.960 -0.001 0.000 0.332 282 G C -2.398 172.260 174.900 -0.403 0.000 1.046 282 G CA -1.418 43.570 45.100 -0.188 0.000 1.099 282 G HN 0.388 nan 8.290 nan 0.000 0.451 283 P HA -0.135 nan 4.420 nan 0.000 0.262 283 P C -0.005 177.070 177.300 -0.376 0.000 1.151 283 P CA 0.473 63.379 63.100 -0.323 0.000 0.757 283 P CB 0.601 32.187 31.700 -0.189 0.000 0.754 284 H N 0.022 119.075 119.070 -0.028 0.000 2.586 284 H HA 0.271 4.827 4.556 -0.001 0.000 0.273 284 H C 0.223 175.539 175.328 -0.020 0.000 0.997 284 H CA 0.080 56.121 56.048 -0.012 0.000 1.177 284 H CB 0.800 30.560 29.762 -0.004 0.000 1.471 284 H HN 0.097 nan 8.280 nan 0.000 0.538 285 V N 1.781 121.719 119.914 0.039 0.000 2.623 285 V HA 0.091 4.210 4.120 -0.001 0.000 0.304 285 V C 0.166 176.249 176.094 -0.018 0.000 1.054 285 V CA -1.200 61.109 62.300 0.015 0.000 0.882 285 V CB 3.113 34.944 31.823 0.013 0.000 1.002 285 V HN 0.083 nan 8.190 nan 0.000 0.424 286 K N 4.422 124.816 120.400 -0.010 0.000 2.436 286 K HA 0.213 4.532 4.320 -0.001 0.000 0.282 286 K C 0.784 177.370 176.600 -0.024 0.000 1.044 286 K CA 0.311 56.587 56.287 -0.018 0.000 1.028 286 K CB 0.050 32.545 32.500 -0.009 0.000 0.919 286 K HN 0.680 nan 8.250 nan 0.000 0.474 287 R N 0.533 121.012 120.500 -0.034 0.000 3.954 287 R HA -0.146 4.193 4.340 -0.001 0.000 0.422 287 R C 0.284 176.558 176.300 -0.044 0.000 1.091 287 R CA 0.900 56.980 56.100 -0.034 0.000 1.168 287 R CB -1.788 28.499 30.300 -0.021 0.000 1.752 287 R HN 0.814 nan 8.270 nan 0.000 0.547 288 G N 0.607 109.375 108.800 -0.054 0.000 2.389 288 G HA2 0.511 4.471 3.960 -0.001 0.000 0.317 288 G HA3 0.511 4.471 3.960 -0.001 0.000 0.317 288 G C -0.071 174.761 174.900 -0.114 0.000 1.137 288 G CA 0.180 45.244 45.100 -0.061 0.000 0.870 288 G HN 0.160 nan 8.290 nan 0.000 0.496 289 S N 1.069 116.697 115.700 -0.121 0.000 2.549 289 S HA 0.443 4.913 4.470 -0.001 0.000 0.297 289 S C -0.199 174.281 174.600 -0.200 0.000 1.115 289 S CA -1.098 56.974 58.200 -0.215 0.000 1.059 289 S CB 1.552 64.675 63.200 -0.128 0.000 1.046 289 S HN 0.484 nan 8.310 nan 0.000 0.506 290 N N 1.019 119.514 118.700 -0.342 0.000 2.520 290 N HA 0.402 5.142 4.740 -0.001 0.000 0.273 290 N C 0.754 176.228 175.510 -0.060 0.000 1.155 290 N CA -0.021 52.924 53.050 -0.175 0.000 0.967 290 N CB 1.505 39.872 38.487 -0.200 0.000 1.092 290 N HN 0.830 nan 8.380 nan 0.000 0.457 291 A N 1.560 124.379 122.820 -0.001 0.000 2.014 291 A HA 0.001 4.321 4.320 -0.001 0.000 0.210 291 A C 1.782 179.396 177.584 0.050 0.000 1.188 291 A CA 0.657 52.713 52.037 0.032 0.000 0.731 291 A CB -0.300 18.715 19.000 0.025 0.000 0.858 291 A HN 0.631 nan 8.150 nan 0.000 0.464 292 T N 0.524 115.109 114.554 0.051 0.000 2.777 292 T HA -0.019 4.330 4.350 -0.001 0.000 0.266 292 T C 1.099 175.848 174.700 0.081 0.000 1.040 292 T CA 1.105 63.245 62.100 0.066 0.000 1.141 292 T CB -0.369 68.549 68.868 0.083 0.000 0.868 292 T HN 0.260 nan 8.240 nan 0.000 0.444 293 S N 2.039 117.790 115.700 0.086 0.000 2.466 293 S HA 0.167 4.637 4.470 -0.001 0.000 0.286 293 S C 1.337 176.017 174.600 0.134 0.000 1.221 293 S CA -0.491 57.777 58.200 0.113 0.000 1.091 293 S CB 0.546 63.812 63.200 0.111 0.000 0.956 293 S HN 0.331 nan 8.310 nan 0.000 0.501 294 S N 3.763 119.521 115.700 0.097 0.000 2.343 294 S HA -0.108 4.361 4.470 -0.001 0.000 0.219 294 S C 1.949 176.591 174.600 0.070 0.000 1.033 294 S CA 0.723 58.966 58.200 0.072 0.000 1.014 294 S CB -0.318 62.909 63.200 0.045 0.000 0.915 294 S HN 0.551 nan 8.310 nan 0.000 0.435 295 L N 0.736 121.991 121.223 0.053 0.000 1.991 295 L HA -0.181 4.159 4.340 -0.001 0.000 0.221 295 L C 2.049 178.963 176.870 0.072 0.000 1.079 295 L CA 1.881 56.725 54.840 0.008 0.000 0.778 295 L CB -1.355 40.694 42.059 -0.017 0.000 0.893 295 L HN 0.339 nan 8.230 nan 0.000 0.437 296 Y N -0.455 119.879 120.300 0.057 0.000 2.114 296 Y HA -0.354 4.196 4.550 -0.000 0.000 0.282 296 Y C 2.714 178.695 175.900 0.134 0.000 1.165 296 Y CA 1.954 60.131 58.100 0.129 0.000 1.148 296 Y CB -0.046 38.466 38.460 0.086 0.000 0.972 296 Y HN 0.295 nan 8.280 nan 0.000 0.504 297 Q N -0.047 119.899 119.800 0.243 0.000 1.975 297 Q HA -0.210 4.129 4.340 -0.001 0.000 0.205 297 Q C 2.604 178.643 176.000 0.065 0.000 0.990 297 Q CA 1.768 57.665 55.803 0.156 0.000 0.845 297 Q CB -1.394 27.415 28.738 0.117 0.000 0.913 297 Q HN 0.564 nan 8.270 nan 0.000 0.420 298 A N 0.239 123.075 122.820 0.026 0.000 1.873 298 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 298 A C 2.471 180.010 177.584 -0.076 0.000 1.193 298 A CA 2.162 54.187 52.037 -0.021 0.000 0.629 298 A CB -1.106 17.874 19.000 -0.034 0.000 0.826 298 A HN 0.218 nan 8.150 nan 0.000 0.447 299 V N -0.200 119.643 119.914 -0.117 0.000 2.219 299 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 299 V C 3.081 178.970 176.094 -0.342 0.000 1.053 299 V CA 2.352 64.498 62.300 -0.256 0.000 1.009 299 V CB -1.486 30.167 31.823 -0.284 0.000 0.636 299 V HN 0.707 nan 8.190 nan 0.000 0.445 300 A N -0.428 122.291 122.820 -0.168 0.000 1.894 300 A HA -0.399 3.920 4.320 -0.001 0.000 0.220 300 A C 2.248 179.822 177.584 -0.016 0.000 1.237 300 A CA 2.870 54.957 52.037 0.084 0.000 0.660 300 A CB -0.746 18.398 19.000 0.241 0.000 0.835 300 A HN 0.585 nan 8.150 nan 0.000 0.461 301 K N -1.573 118.820 120.400 -0.012 0.000 2.044 301 K HA -0.140 4.180 4.320 -0.001 0.000 0.210 301 K C 1.966 178.538 176.600 -0.047 0.000 1.049 301 K CA 1.361 57.641 56.287 -0.011 0.000 0.927 301 K CB -0.478 32.022 32.500 -0.001 0.000 0.713 301 K HN 0.521 nan 8.250 nan 0.000 0.443 302 G N 0.237 108.983 108.800 -0.089 0.000 2.813 302 G HA2 0.058 4.017 3.960 -0.001 0.000 0.209 302 G HA3 0.058 4.017 3.960 -0.001 0.000 0.209 302 G C 0.393 175.213 174.900 -0.134 0.000 1.150 302 G CA -0.035 45.010 45.100 -0.092 0.000 0.785 302 G HN -0.003 nan 8.290 nan 0.000 0.535 303 V N -0.581 119.198 119.914 -0.226 0.000 3.096 303 V HA 0.366 4.486 4.120 -0.001 0.000 0.319 303 V C 0.503 176.537 176.094 -0.100 0.000 1.082 303 V CA -1.140 60.970 62.300 -0.316 0.000 1.022 303 V CB 1.704 32.971 31.823 -0.926 0.000 1.103 303 V HN 0.395 nan 8.190 nan 0.000 0.455 304 H N 0.326 119.339 119.070 -0.094 0.000 2.465 304 H HA 0.104 4.660 4.556 -0.001 0.000 0.367 304 H C 1.169 176.636 175.328 0.233 0.000 1.737 304 H CA 0.832 56.917 56.048 0.063 0.000 1.447 304 H CB 0.559 30.361 29.762 0.068 0.000 1.620 304 H HN 0.675 nan 8.280 nan 0.000 0.587 305 Q N 0.097 119.594 119.800 -0.506 0.000 1.856 305 Q HA 0.019 4.359 4.340 -0.001 0.000 0.228 305 Q C -1.512 174.611 176.000 0.204 0.000 0.987 305 Q CA 0.607 56.323 55.803 -0.146 0.000 0.873 305 Q CB -1.353 27.182 28.738 -0.338 0.000 0.928 305 Q HN 0.534 nan 8.270 nan 0.000 0.425 306 P HA 0.112 nan 4.420 nan 0.000 0.276 306 P C -1.054 176.448 177.300 0.336 0.000 1.253 306 P CA 0.418 63.654 63.100 0.228 0.000 0.766 306 P CB 0.119 31.929 31.700 0.183 0.000 0.845 307 F N 0.031 120.025 119.950 0.073 0.000 2.829 307 F HA 0.695 5.222 4.527 -0.000 0.000 0.319 307 F C -2.290 173.537 175.800 0.045 0.000 1.153 307 F CA -0.960 57.059 58.000 0.031 0.000 0.912 307 F CB 1.207 40.201 39.000 -0.011 0.000 1.292 307 F HN 0.160 nan 8.300 nan 0.000 0.447 308 D N 0.978 121.497 120.400 0.199 0.000 2.736 308 D HA 0.706 5.346 4.640 -0.001 0.000 0.223 308 D C -1.990 174.471 176.300 0.268 0.000 1.231 308 D CA -0.217 53.882 54.000 0.164 0.000 0.818 308 D CB 2.910 43.768 40.800 0.096 0.000 1.587 308 D HN 0.684 nan 8.370 nan 0.000 0.463 309 V N 1.137 121.235 119.914 0.307 0.000 3.077 309 V HA 0.710 4.830 4.120 -0.001 0.000 0.299 309 V C -0.883 175.365 176.094 0.257 0.000 1.276 309 V CA -0.525 61.943 62.300 0.280 0.000 0.993 309 V CB 2.157 34.124 31.823 0.240 0.000 1.076 309 V HN 0.628 nan 8.190 nan 0.000 0.434 310 S N 1.485 117.326 115.700 0.236 0.000 2.547 310 S HA 0.792 5.261 4.470 -0.001 0.000 0.270 310 S C -0.721 173.998 174.600 0.197 0.000 1.150 310 S CA 0.164 58.467 58.200 0.171 0.000 0.850 310 S CB 1.762 65.019 63.200 0.094 0.000 1.118 310 S HN 1.568 nan 8.310 nan 0.000 0.461 311 A N 2.734 125.622 122.820 0.113 0.000 2.451 311 A HA 0.562 4.882 4.320 -0.001 0.000 0.266 311 A C -0.605 177.018 177.584 0.065 0.000 1.119 311 A CA 0.005 52.072 52.037 0.050 0.000 0.786 311 A CB -0.468 18.525 19.000 -0.011 0.000 1.061 311 A HN 0.761 nan 8.150 nan 0.000 0.503 312 F N 3.182 123.050 119.950 -0.137 0.000 2.404 312 F HA 0.588 5.115 4.527 -0.001 0.000 0.339 312 F C -0.079 175.630 175.800 -0.152 0.000 1.105 312 F CA -0.938 57.009 58.000 -0.089 0.000 1.087 312 F CB 1.354 40.354 39.000 -0.000 0.000 1.143 312 F HN 0.593 nan 8.300 nan 0.000 0.491 313 N N 4.250 122.501 118.700 -0.747 0.000 2.549 313 N HA 0.589 5.329 4.740 -0.001 0.000 0.290 313 N C -2.054 173.114 175.510 -0.570 0.000 1.122 313 N CA -0.295 52.459 53.050 -0.493 0.000 0.885 313 N CB 1.532 39.977 38.487 -0.070 0.000 1.455 313 N HN 0.797 nan 8.380 nan 0.000 0.521 314 A N 2.225 124.715 122.820 -0.551 0.000 2.331 314 A HA 0.755 5.074 4.320 -0.001 0.000 0.320 314 A C -0.603 176.802 177.584 -0.297 0.000 1.138 314 A CA -0.583 51.221 52.037 -0.389 0.000 0.790 314 A CB 0.974 19.885 19.000 -0.149 0.000 1.206 314 A HN 0.743 nan 8.150 nan 0.000 0.470 315 S N 2.219 117.643 115.700 -0.461 0.000 2.614 315 S HA 0.801 5.271 4.470 -0.001 0.000 0.288 315 S C -1.197 173.123 174.600 -0.466 0.000 1.137 315 S CA -0.429 57.581 58.200 -0.317 0.000 0.992 315 S CB 0.473 63.579 63.200 -0.156 0.000 1.026 315 S HN 0.563 nan 8.310 nan 0.000 0.486 316 Y N 1.271 121.593 120.300 0.036 0.000 2.686 316 Y HA 0.555 5.104 4.550 -0.001 0.000 0.330 316 Y C 2.023 177.941 175.900 0.029 0.000 1.082 316 Y CA -0.522 57.600 58.100 0.036 0.000 1.158 316 Y CB 0.983 39.460 38.460 0.028 0.000 1.333 316 Y HN 0.709 nan 8.280 nan 0.000 0.519 317 S N 0.473 116.294 115.700 0.203 0.000 2.359 317 S HA -0.225 4.245 4.470 -0.001 0.000 0.223 317 S C 0.867 175.528 174.600 0.101 0.000 1.039 317 S CA 2.374 60.645 58.200 0.118 0.000 1.042 317 S CB -0.529 62.733 63.200 0.103 0.000 0.915 317 S HN 0.813 nan 8.310 nan 0.000 0.439 318 D N -0.018 120.446 120.400 0.106 0.000 2.440 318 D HA 0.423 5.062 4.640 -0.001 0.000 0.216 318 D C 0.367 176.742 176.300 0.125 0.000 1.150 318 D CA 0.222 54.277 54.000 0.091 0.000 0.832 318 D CB 0.281 41.120 40.800 0.065 0.000 0.992 318 D HN 0.343 nan 8.370 nan 0.000 0.502 319 S N -1.645 114.154 115.700 0.165 0.000 2.645 319 S HA 0.613 5.083 4.470 -0.001 0.000 0.268 319 S C -1.118 173.621 174.600 0.232 0.000 1.110 319 S CA -0.311 58.012 58.200 0.204 0.000 0.823 319 S CB 1.024 64.451 63.200 0.378 0.000 1.091 319 S HN 0.333 nan 8.310 nan 0.000 0.466 320 G N 0.135 109.027 108.800 0.154 0.000 3.022 320 G HA2 0.777 4.736 3.960 -0.001 0.000 0.284 320 G HA3 0.777 4.736 3.960 -0.001 0.000 0.284 320 G C -2.051 172.901 174.900 0.087 0.000 1.375 320 G CA -0.695 44.471 45.100 0.109 0.000 0.902 320 G HN 0.894 nan 8.290 nan 0.000 0.538 321 L N 0.253 121.497 121.223 0.036 0.000 2.528 321 L HA 0.495 4.835 4.340 -0.001 0.000 0.267 321 L C -1.614 175.284 176.870 0.045 0.000 0.961 321 L CA -0.538 54.337 54.840 0.059 0.000 0.866 321 L CB 2.156 44.342 42.059 0.212 0.000 1.248 321 L HN 0.571 nan 8.230 nan 0.000 0.404 322 F N 2.824 122.727 119.950 -0.079 0.000 2.577 322 F HA 0.955 5.481 4.527 -0.001 0.000 0.318 322 F C 0.173 176.100 175.800 0.212 0.000 1.065 322 F CA 0.073 58.052 58.000 -0.034 0.000 0.929 322 F CB 2.238 41.142 39.000 -0.161 0.000 1.237 322 F HN 0.495 nan 8.300 nan 0.000 0.468 323 G N 2.732 110.985 108.800 -0.912 0.000 2.351 323 G HA2 0.310 4.269 3.960 -0.001 0.000 0.279 323 G HA3 0.310 4.269 3.960 -0.001 0.000 0.279 323 G C -1.896 172.767 174.900 -0.394 0.000 1.297 323 G CA -0.277 44.483 45.100 -0.566 0.000 0.886 323 G HN 1.107 nan 8.290 nan 0.000 0.493 324 F N -1.695 118.158 119.950 -0.162 0.000 2.661 324 F HA 0.931 5.458 4.527 -0.001 0.000 0.347 324 F C -0.947 174.927 175.800 0.124 0.000 1.086 324 F CA -1.999 55.983 58.000 -0.030 0.000 1.016 324 F CB 1.557 40.516 39.000 -0.068 0.000 1.368 324 F HN 0.673 nan 8.300 nan 0.000 0.505 325 Y N 0.666 121.099 120.300 0.222 0.000 2.442 325 Y HA 0.625 5.175 4.550 -0.000 0.000 0.344 325 Y C -0.743 175.273 175.900 0.193 0.000 0.976 325 Y CA -0.846 57.307 58.100 0.089 0.000 1.040 325 Y CB 1.969 40.440 38.460 0.018 0.000 1.228 325 Y HN 0.956 nan 8.280 nan 0.000 0.451 326 T N 3.390 118.078 114.554 0.224 0.000 2.916 326 T HA 0.746 5.096 4.350 -0.001 0.000 0.292 326 T C -1.050 173.717 174.700 0.113 0.000 1.055 326 T CA -0.752 61.488 62.100 0.233 0.000 1.009 326 T CB 1.880 70.863 68.868 0.192 0.000 1.118 326 T HN 0.542 nan 8.240 nan 0.000 0.497 327 I N 2.447 123.067 120.570 0.083 0.000 2.542 327 I HA 0.348 4.518 4.170 -0.001 0.000 0.278 327 I C -0.334 175.813 176.117 0.050 0.000 1.069 327 I CA -0.325 60.941 61.300 -0.056 0.000 1.100 327 I CB 1.284 39.202 38.000 -0.136 0.000 1.204 327 I HN 0.872 nan 8.210 nan 0.000 0.470 328 S N 4.285 120.010 115.700 0.042 0.000 2.751 328 S HA 0.671 5.140 4.470 -0.001 0.000 0.310 328 S C -0.620 174.004 174.600 0.040 0.000 1.128 328 S CA -1.048 57.189 58.200 0.062 0.000 0.931 328 S CB 1.606 64.824 63.200 0.030 0.000 1.177 328 S HN 0.480 nan 8.310 nan 0.000 0.530 329 Q N -0.069 119.745 119.800 0.024 0.000 2.169 329 Q HA 0.708 5.047 4.340 -0.001 0.000 0.234 329 Q C 1.295 177.276 176.000 -0.032 0.000 0.980 329 Q CA -0.729 55.070 55.803 -0.007 0.000 0.941 329 Q CB 0.488 29.209 28.738 -0.029 0.000 1.199 329 Q HN 0.718 nan 8.270 nan 0.000 0.496 330 A N 1.161 123.942 122.820 -0.066 0.000 1.873 330 A HA -0.333 3.986 4.320 -0.001 0.000 0.219 330 A C 2.117 179.597 177.584 -0.174 0.000 1.269 330 A CA 2.836 54.792 52.037 -0.135 0.000 0.671 330 A CB -1.648 17.248 19.000 -0.173 0.000 0.842 330 A HN 0.883 nan 8.150 nan 0.000 0.460 331 A N -1.749 120.995 122.820 -0.127 0.000 2.121 331 A HA 0.131 4.451 4.320 -0.001 0.000 0.218 331 A C 2.152 179.867 177.584 0.218 0.000 1.154 331 A CA 1.792 53.924 52.037 0.158 0.000 0.679 331 A CB -0.431 18.676 19.000 0.179 0.000 0.795 331 A HN 0.497 nan 8.150 nan 0.000 0.458 332 S N -0.740 114.997 115.700 0.063 0.000 2.517 332 S HA 0.327 4.796 4.470 -0.001 0.000 0.214 332 S C 2.076 176.690 174.600 0.022 0.000 0.991 332 S CA 0.422 58.639 58.200 0.028 0.000 0.906 332 S CB 0.031 63.224 63.200 -0.012 0.000 0.789 332 S HN 0.744 nan 8.310 nan 0.000 0.513 333 A N 2.317 125.163 122.820 0.043 0.000 1.882 333 A HA -0.160 4.160 4.320 -0.001 0.000 0.220 333 A C 2.272 179.877 177.584 0.035 0.000 1.253 333 A CA 2.225 54.284 52.037 0.035 0.000 0.664 333 A CB -1.666 17.357 19.000 0.037 0.000 0.838 333 A HN 0.517 nan 8.150 nan 0.000 0.460 334 G N -0.502 108.330 108.800 0.052 0.000 2.453 334 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.215 334 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.215 334 G C 1.151 176.056 174.900 0.009 0.000 1.201 334 G CA 1.236 46.354 45.100 0.030 0.000 0.784 334 G HN 0.526 nan 8.290 nan 0.000 0.545 335 D N 0.436 120.831 120.400 -0.009 0.000 2.154 335 D HA -0.167 4.473 4.640 -0.001 0.000 0.190 335 D C 2.766 179.026 176.300 -0.068 0.000 1.003 335 D CA 1.647 55.624 54.000 -0.039 0.000 0.849 335 D CB -0.793 39.979 40.800 -0.047 0.000 0.942 335 D HN 0.228 nan 8.370 nan 0.000 0.446 336 V N 1.162 121.020 119.914 -0.094 0.000 2.255 336 V HA -0.238 3.882 4.120 -0.001 0.000 0.247 336 V C 2.645 178.720 176.094 -0.033 0.000 1.051 336 V CA 1.290 63.508 62.300 -0.137 0.000 1.018 336 V CB -0.508 31.234 31.823 -0.135 0.000 0.641 336 V HN 0.117 nan 8.190 nan 0.000 0.445 337 I N -0.228 120.374 120.570 0.053 0.000 2.127 337 I HA -0.274 3.896 4.170 -0.001 0.000 0.241 337 I C 2.628 178.865 176.117 0.201 0.000 1.075 337 I CA 1.832 63.243 61.300 0.185 0.000 1.334 337 I CB -0.433 37.656 38.000 0.148 0.000 1.040 337 I HN 0.289 nan 8.210 nan 0.000 0.405 338 K N 0.845 121.309 120.400 0.105 0.000 1.985 338 K HA -0.176 4.144 4.320 -0.001 0.000 0.210 338 K C 2.291 178.946 176.600 0.092 0.000 1.047 338 K CA 1.571 57.924 56.287 0.110 0.000 0.932 338 K CB -0.702 31.826 32.500 0.046 0.000 0.716 338 K HN 0.321 nan 8.250 nan 0.000 0.439 339 A N 2.154 124.975 122.820 0.002 0.000 1.906 339 A HA -0.327 3.993 4.320 -0.001 0.000 0.222 339 A C 2.545 180.072 177.584 -0.096 0.000 1.282 339 A CA 2.982 54.987 52.037 -0.055 0.000 0.675 339 A CB -1.242 17.686 19.000 -0.121 0.000 0.838 339 A HN 0.460 nan 8.150 nan 0.000 0.469 340 A N -2.236 120.464 122.820 -0.199 0.000 1.908 340 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 340 A C 2.160 179.473 177.584 -0.452 0.000 1.181 340 A CA 1.902 53.642 52.037 -0.495 0.000 0.627 340 A CB -0.861 17.532 19.000 -1.011 0.000 0.818 340 A HN 0.774 nan 8.150 nan 0.000 0.445 341 Y N 1.025 121.171 120.300 -0.257 0.000 2.049 341 Y HA -0.286 4.264 4.550 -0.001 0.000 0.277 341 Y C 2.450 178.384 175.900 0.056 0.000 1.143 341 Y CA 2.321 60.480 58.100 0.098 0.000 1.115 341 Y CB -0.423 38.212 38.460 0.293 0.000 0.975 341 Y HN 0.345 nan 8.280 nan 0.000 0.487 342 N N 0.297 119.123 118.700 0.209 0.000 2.049 342 N HA -0.302 4.438 4.740 -0.001 0.000 0.198 342 N C 1.883 177.400 175.510 0.012 0.000 1.030 342 N CA 1.880 55.000 53.050 0.117 0.000 0.870 342 N CB -0.799 37.741 38.487 0.089 0.000 1.045 342 N HN 0.458 nan 8.380 nan 0.000 0.434 343 Q N 0.452 120.231 119.800 -0.036 0.000 2.112 343 Q HA -0.075 4.265 4.340 -0.001 0.000 0.206 343 Q C 1.714 177.673 176.000 -0.067 0.000 0.987 343 Q CA 1.455 57.224 55.803 -0.056 0.000 0.858 343 Q CB -0.196 28.493 28.738 -0.083 0.000 0.905 343 Q HN 0.269 nan 8.270 nan 0.000 0.420 344 V N 0.522 120.365 119.914 -0.118 0.000 2.809 344 V HA -0.157 3.963 4.120 -0.001 0.000 0.256 344 V C 2.070 178.123 176.094 -0.068 0.000 1.080 344 V CA 1.598 63.835 62.300 -0.105 0.000 1.102 344 V CB -0.522 31.189 31.823 -0.186 0.000 0.705 344 V HN 0.296 nan 8.190 nan 0.000 0.475 345 K N -0.005 120.345 120.400 -0.083 0.000 2.062 345 K HA -0.112 4.207 4.320 -0.001 0.000 0.205 345 K C 2.352 178.951 176.600 -0.002 0.000 1.051 345 K CA 1.629 57.895 56.287 -0.035 0.000 0.941 345 K CB -0.434 32.070 32.500 0.007 0.000 0.719 345 K HN 0.415 nan 8.250 nan 0.000 0.440 346 T N 2.218 116.769 114.554 -0.004 0.000 2.544 346 T HA -0.196 4.153 4.350 -0.001 0.000 0.264 346 T C 1.903 176.602 174.700 -0.002 0.000 1.096 346 T CA 1.777 63.878 62.100 0.001 0.000 1.181 346 T CB -0.358 68.510 68.868 -0.000 0.000 0.864 346 T HN 0.160 nan 8.240 nan 0.000 0.415 347 I N 1.176 121.742 120.570 -0.007 0.000 2.290 347 I HA -0.289 3.881 4.170 -0.001 0.000 0.253 347 I C 2.627 178.738 176.117 -0.010 0.000 1.112 347 I CA 1.349 62.644 61.300 -0.009 0.000 1.377 347 I CB -0.415 37.578 38.000 -0.011 0.000 1.060 347 I HN 0.242 nan 8.210 nan 0.000 0.428 348 A N -0.539 122.281 122.820 -0.000 0.000 2.119 348 A HA -0.130 4.190 4.320 -0.001 0.000 0.216 348 A C 2.180 179.769 177.584 0.009 0.000 1.152 348 A CA 0.791 52.833 52.037 0.008 0.000 0.708 348 A CB -0.303 18.716 19.000 0.032 0.000 0.805 348 A HN 0.461 nan 8.150 nan 0.000 0.460 349 Q N -1.812 117.994 119.800 0.009 0.000 2.432 349 Q HA 0.178 4.518 4.340 -0.001 0.000 0.205 349 Q C 1.347 177.349 176.000 0.003 0.000 0.945 349 Q CA 0.633 56.442 55.803 0.011 0.000 0.924 349 Q CB 0.146 28.892 28.738 0.015 0.000 1.016 349 Q HN 0.819 nan 8.270 nan 0.000 0.503 350 G N 1.096 109.894 108.800 -0.003 0.000 2.352 350 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.204 350 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.204 350 G C 0.236 175.131 174.900 -0.009 0.000 1.004 350 G CA -0.133 44.961 45.100 -0.009 0.000 0.648 350 G HN 0.314 nan 8.290 nan 0.000 0.491 351 N N 0.934 119.632 118.700 -0.004 0.000 2.374 351 N HA 0.304 5.044 4.740 -0.001 0.000 0.298 351 N C -0.445 175.063 175.510 -0.004 0.000 1.273 351 N CA 0.734 53.783 53.050 -0.003 0.000 1.093 351 N CB -0.320 38.168 38.487 0.001 0.000 1.486 351 N HN 1.044 nan 8.380 nan 0.000 0.488 352 L N 1.870 123.089 121.223 -0.007 0.000 2.661 352 L HA 0.355 4.695 4.340 -0.001 0.000 0.263 352 L C -0.755 176.111 176.870 -0.008 0.000 0.956 352 L CA -0.518 54.318 54.840 -0.007 0.000 0.918 352 L CB 0.991 43.044 42.059 -0.010 0.000 1.280 352 L HN 0.304 nan 8.230 nan 0.000 0.416 353 S N 2.376 118.074 115.700 -0.004 0.000 2.548 353 S HA 0.296 4.766 4.470 -0.001 0.000 0.277 353 S C 0.932 175.529 174.600 -0.005 0.000 1.315 353 S CA -0.047 58.151 58.200 -0.004 0.000 1.050 353 S CB 0.910 64.109 63.200 -0.000 0.000 0.918 353 S HN 0.775 nan 8.310 nan 0.000 0.497 354 N N 3.864 122.559 118.700 -0.009 0.000 2.069 354 N HA -0.108 4.631 4.740 -0.001 0.000 0.196 354 N C -0.993 174.512 175.510 -0.009 0.000 1.024 354 N CA 2.298 55.342 53.050 -0.011 0.000 0.869 354 N CB -1.105 37.375 38.487 -0.012 0.000 1.035 354 N HN 0.626 nan 8.380 nan 0.000 0.434 355 P HA -0.156 nan 4.420 nan 0.000 0.216 355 P C 0.238 177.537 177.300 -0.002 0.000 1.154 355 P CA 1.573 64.671 63.100 -0.004 0.000 0.865 355 P CB -0.056 31.643 31.700 -0.002 0.000 0.789 356 D N -0.916 119.486 120.400 0.003 0.000 2.234 356 D HA -0.047 4.592 4.640 -0.001 0.000 0.205 356 D C 2.089 178.395 176.300 0.009 0.000 0.962 356 D CA 0.497 54.503 54.000 0.010 0.000 0.855 356 D CB -0.652 40.159 40.800 0.017 0.000 0.951 356 D HN 0.053 nan 8.370 nan 0.000 0.500 357 V N 0.730 120.644 119.914 -0.000 0.000 2.453 357 V HA -0.209 3.911 4.120 -0.001 0.000 0.247 357 V C 2.479 178.566 176.094 -0.012 0.000 1.048 357 V CA 1.399 63.696 62.300 -0.005 0.000 1.049 357 V CB -0.185 31.629 31.823 -0.015 0.000 0.672 357 V HN 0.068 nan 8.190 nan 0.000 0.457 358 Q N 0.241 120.031 119.800 -0.016 0.000 2.119 358 Q HA -0.079 4.261 4.340 -0.001 0.000 0.201 358 Q C 2.101 178.084 176.000 -0.028 0.000 0.972 358 Q CA 1.947 57.736 55.803 -0.023 0.000 0.847 358 Q CB -0.461 28.264 28.738 -0.021 0.000 0.903 358 Q HN 0.601 nan 8.270 nan 0.000 0.433 359 A N 0.650 123.458 122.820 -0.020 0.000 1.841 359 A HA -0.107 4.213 4.320 -0.001 0.000 0.216 359 A C 2.296 179.857 177.584 -0.038 0.000 1.199 359 A CA 2.178 54.199 52.037 -0.026 0.000 0.621 359 A CB -1.593 17.402 19.000 -0.008 0.000 0.835 359 A HN 0.537 nan 8.150 nan 0.000 0.445 360 A N -0.112 122.702 122.820 -0.010 0.000 1.870 360 A HA -0.347 3.972 4.320 -0.001 0.000 0.219 360 A C 2.093 179.620 177.584 -0.094 0.000 1.286 360 A CA 2.559 54.593 52.037 -0.005 0.000 0.682 360 A CB -0.980 18.048 19.000 0.047 0.000 0.844 360 A HN 0.554 nan 8.150 nan 0.000 0.460 361 K N -1.075 119.286 120.400 -0.065 0.000 2.049 361 K HA -0.266 4.054 4.320 -0.001 0.000 0.219 361 K C 1.936 178.470 176.600 -0.111 0.000 1.056 361 K CA 1.867 58.105 56.287 -0.082 0.000 0.946 361 K CB -0.522 31.945 32.500 -0.053 0.000 0.723 361 K HN 0.546 nan 8.250 nan 0.000 0.453 362 N N 0.950 119.596 118.700 -0.089 0.000 2.104 362 N HA -0.146 4.594 4.740 -0.001 0.000 0.190 362 N C 1.660 177.096 175.510 -0.123 0.000 1.024 362 N CA 1.126 54.124 53.050 -0.086 0.000 0.853 362 N CB -0.148 38.300 38.487 -0.066 0.000 1.008 362 N HN 0.262 nan 8.380 nan 0.000 0.424 363 K N 0.773 121.076 120.400 -0.162 0.000 1.988 363 K HA -0.188 4.132 4.320 -0.001 0.000 0.221 363 K C 1.993 178.418 176.600 -0.292 0.000 1.053 363 K CA 0.964 57.119 56.287 -0.220 0.000 0.959 363 K CB -0.719 31.666 32.500 -0.192 0.000 0.728 363 K HN 0.036 nan 8.250 nan 0.000 0.447 364 L N 2.118 123.019 121.223 -0.538 0.000 1.976 364 L HA -0.292 4.048 4.340 -0.001 0.000 0.223 364 L C 2.075 178.883 176.870 -0.104 0.000 1.081 364 L CA 1.986 56.560 54.840 -0.442 0.000 0.784 364 L CB -0.618 41.239 42.059 -0.335 0.000 0.896 364 L HN 0.124 nan 8.230 nan 0.000 0.438 365 K N -0.786 119.569 120.400 -0.075 0.000 2.044 365 K HA -0.199 4.120 4.320 -0.001 0.000 0.210 365 K C 2.068 178.700 176.600 0.052 0.000 1.049 365 K CA 1.774 58.062 56.287 0.002 0.000 0.927 365 K CB -0.603 31.884 32.500 -0.021 0.000 0.713 365 K HN 0.543 nan 8.250 nan 0.000 0.443 366 A N 1.119 123.939 122.820 0.000 0.000 1.865 366 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 366 A C 2.459 180.072 177.584 0.048 0.000 1.191 366 A CA 2.088 54.133 52.037 0.013 0.000 0.623 366 A CB -1.554 17.427 19.000 -0.032 0.000 0.826 366 A HN 0.431 nan 8.150 nan 0.000 0.444 367 G N -1.410 107.422 108.800 0.054 0.000 2.586 367 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.218 367 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.218 367 G C 1.556 176.530 174.900 0.124 0.000 1.216 367 G CA 1.467 46.628 45.100 0.101 0.000 0.786 367 G HN 0.634 nan 8.290 nan 0.000 0.583 368 Y N 1.126 121.451 120.300 0.041 0.000 2.228 368 Y HA -0.155 4.395 4.550 -0.001 0.000 0.285 368 Y C 2.554 178.484 175.900 0.051 0.000 1.178 368 Y CA 1.707 59.835 58.100 0.045 0.000 1.202 368 Y CB -0.170 38.310 38.460 0.033 0.000 0.974 368 Y HN 0.157 nan 8.280 nan 0.000 0.527 369 L N -0.885 120.412 121.223 0.123 0.000 2.072 369 L HA -0.224 4.116 4.340 -0.001 0.000 0.205 369 L C 2.425 179.290 176.870 -0.009 0.000 1.079 369 L CA 1.431 56.306 54.840 0.057 0.000 0.752 369 L CB -0.399 41.730 42.059 0.116 0.000 0.906 369 L HN 0.296 nan 8.230 nan 0.000 0.436 370 M N -1.191 118.415 119.600 0.011 0.000 2.229 370 M HA -0.160 4.320 4.480 -0.001 0.000 0.264 370 M C 2.426 178.716 176.300 -0.018 0.000 1.063 370 M CA 1.228 56.533 55.300 0.009 0.000 1.114 370 M CB -0.422 32.194 32.600 0.027 0.000 1.387 370 M HN 0.107 nan 8.290 nan 0.000 0.420 371 S N 0.332 115.999 115.700 -0.056 0.000 2.374 371 S HA -0.110 4.359 4.470 -0.001 0.000 0.227 371 S C 1.698 176.233 174.600 -0.109 0.000 1.037 371 S CA 1.346 59.493 58.200 -0.088 0.000 1.024 371 S CB -0.249 62.867 63.200 -0.139 0.000 0.861 371 S HN 0.306 nan 8.310 nan 0.000 0.456 372 V N 1.988 121.802 119.914 -0.167 0.000 3.596 372 V HA 0.062 4.181 4.120 -0.001 0.000 0.289 372 V C 1.966 178.100 176.094 0.066 0.000 1.336 372 V CA 0.590 62.850 62.300 -0.067 0.000 1.137 372 V CB -0.482 31.240 31.823 -0.168 0.000 0.966 372 V HN 0.626 nan 8.190 nan 0.000 0.428 373 E N 0.541 120.759 120.200 0.029 0.000 2.478 373 E HA -0.050 4.300 4.350 -0.001 0.000 0.198 373 E C 1.046 177.669 176.600 0.039 0.000 1.046 373 E CA 0.554 56.980 56.400 0.044 0.000 0.870 373 E CB 0.253 29.972 29.700 0.031 0.000 0.818 373 E HN 0.479 nan 8.360 nan 0.000 0.527 374 S N -0.249 115.478 115.700 0.046 0.000 2.568 374 S HA 0.252 4.722 4.470 -0.001 0.000 0.302 374 S C 0.984 175.617 174.600 0.055 0.000 1.082 374 S CA -0.125 58.096 58.200 0.033 0.000 1.009 374 S CB 1.648 64.862 63.200 0.024 0.000 1.069 374 S HN 0.297 nan 8.310 nan 0.000 0.500 375 S N 2.250 117.957 115.700 0.011 0.000 2.359 375 S HA -0.225 4.245 4.470 -0.001 0.000 0.222 375 S C 1.607 176.259 174.600 0.086 0.000 1.038 375 S CA 1.915 60.125 58.200 0.016 0.000 1.051 375 S CB -1.177 62.002 63.200 -0.034 0.000 0.944 375 S HN 0.869 nan 8.310 nan 0.000 0.433 376 E N 1.211 121.443 120.200 0.053 0.000 2.070 376 E HA -0.137 4.212 4.350 -0.001 0.000 0.197 376 E C 2.204 178.853 176.600 0.082 0.000 1.004 376 E CA 1.323 57.758 56.400 0.059 0.000 0.805 376 E CB -0.954 28.764 29.700 0.031 0.000 0.744 376 E HN 0.699 nan 8.360 nan 0.000 0.451 377 G N 0.555 109.398 108.800 0.073 0.000 2.453 377 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.215 377 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.215 377 G C 1.375 176.316 174.900 0.068 0.000 1.201 377 G CA 0.745 45.876 45.100 0.053 0.000 0.784 377 G HN 0.367 nan 8.290 nan 0.000 0.545 378 F N 0.749 120.671 119.950 -0.047 0.000 2.063 378 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 378 F C 2.442 178.209 175.800 -0.056 0.000 1.109 378 F CA 1.723 59.685 58.000 -0.064 0.000 1.212 378 F CB -0.346 38.617 39.000 -0.060 0.000 0.973 378 F HN 0.112 nan 8.300 nan 0.000 0.480 379 L N 0.592 121.957 121.223 0.237 0.000 2.043 379 L HA -0.262 4.077 4.340 -0.001 0.000 0.212 379 L C 2.111 179.066 176.870 0.142 0.000 1.075 379 L CA 2.307 57.255 54.840 0.179 0.000 0.752 379 L CB -1.067 41.113 42.059 0.201 0.000 0.891 379 L HN 0.242 nan 8.230 nan 0.000 0.432 380 D N -0.910 119.577 120.400 0.145 0.000 2.077 380 D HA -0.236 4.404 4.640 -0.001 0.000 0.196 380 D C 2.068 178.331 176.300 -0.062 0.000 0.986 380 D CA 1.266 55.372 54.000 0.178 0.000 0.829 380 D CB 0.038 40.925 40.800 0.145 0.000 0.983 380 D HN 0.336 nan 8.370 nan 0.000 0.453 381 E N 0.157 120.289 120.200 -0.114 0.000 2.086 381 E HA -0.173 4.177 4.350 -0.001 0.000 0.205 381 E C 2.201 178.654 176.600 -0.244 0.000 1.027 381 E CA 1.453 57.755 56.400 -0.163 0.000 0.830 381 E CB -0.528 29.057 29.700 -0.192 0.000 0.751 381 E HN 0.180 nan 8.360 nan 0.000 0.456 382 V N 0.042 119.706 119.914 -0.416 0.000 2.237 382 V HA -0.236 3.884 4.120 -0.001 0.000 0.245 382 V C 2.326 178.188 176.094 -0.387 0.000 1.046 382 V CA 2.104 64.136 62.300 -0.447 0.000 1.007 382 V CB -1.350 30.116 31.823 -0.594 0.000 0.638 382 V HN 0.512 nan 8.190 nan 0.000 0.445 383 G N 0.529 108.981 108.800 -0.580 0.000 2.491 383 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.218 383 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.218 383 G C 1.824 176.220 174.900 -0.841 0.000 1.180 383 G CA 1.748 46.189 45.100 -1.098 0.000 0.774 383 G HN 0.633 nan 8.290 nan 0.000 0.562 384 S N 0.537 115.828 115.700 -0.681 0.000 2.378 384 S HA -0.322 4.148 4.470 -0.001 0.000 0.229 384 S C 2.167 176.653 174.600 -0.191 0.000 1.052 384 S CA 1.886 59.899 58.200 -0.311 0.000 1.084 384 S CB -0.682 62.430 63.200 -0.145 0.000 0.950 384 S HN 0.577 nan 8.310 nan 0.000 0.440 385 Q N 1.114 120.819 119.800 -0.158 0.000 2.119 385 Q HA 0.036 4.375 4.340 -0.001 0.000 0.201 385 Q C 2.650 178.582 176.000 -0.113 0.000 0.972 385 Q CA 1.272 57.025 55.803 -0.084 0.000 0.847 385 Q CB -0.491 28.253 28.738 0.009 0.000 0.903 385 Q HN 0.767 nan 8.270 nan 0.000 0.433 386 A N 0.780 123.503 122.820 -0.162 0.000 1.969 386 A HA -0.106 4.214 4.320 -0.001 0.000 0.218 386 A C 1.996 179.515 177.584 -0.108 0.000 1.169 386 A CA 0.891 52.845 52.037 -0.140 0.000 0.635 386 A CB -0.416 18.505 19.000 -0.132 0.000 0.810 386 A HN 0.264 nan 8.150 nan 0.000 0.445 387 L N -1.391 119.764 121.223 -0.113 0.000 2.240 387 L HA -0.020 4.319 4.340 -0.001 0.000 0.211 387 L C 2.875 179.731 176.870 -0.024 0.000 1.106 387 L CA 0.687 55.499 54.840 -0.048 0.000 0.793 387 L CB -0.532 41.515 42.059 -0.020 0.000 0.927 387 L HN 0.432 nan 8.230 nan 0.000 0.446 388 A N 0.378 123.176 122.820 -0.038 0.000 1.832 388 A HA 0.095 4.415 4.320 -0.001 0.000 0.214 388 A C 2.442 180.006 177.584 -0.033 0.000 1.242 388 A CA 1.261 53.286 52.037 -0.019 0.000 0.603 388 A CB -0.827 18.160 19.000 -0.021 0.000 0.902 388 A HN 0.268 nan 8.150 nan 0.000 0.455 389 A N -2.316 120.469 122.820 -0.060 0.000 1.835 389 A HA 0.385 4.705 4.320 -0.001 0.000 0.213 389 A C 1.959 179.483 177.584 -0.100 0.000 1.210 389 A CA 2.253 54.242 52.037 -0.080 0.000 0.605 389 A CB -0.852 18.084 19.000 -0.107 0.000 0.860 389 A HN 1.979 nan 8.150 nan 0.000 0.447 390 G N -2.310 106.407 108.800 -0.138 0.000 2.273 390 G HA2 0.180 4.140 3.960 -0.001 0.000 0.162 390 G HA3 0.180 4.140 3.960 -0.001 0.000 0.162 390 G C 0.164 174.885 174.900 -0.299 0.000 1.006 390 G CA 0.646 45.655 45.100 -0.151 0.000 0.704 390 G HN 1.903 nan 8.290 nan 0.000 0.487 391 S N -1.287 114.159 115.700 -0.423 0.000 2.636 391 S HA 0.616 5.086 4.470 -0.001 0.000 0.268 391 S C -1.321 172.972 174.600 -0.512 0.000 1.159 391 S CA -0.856 56.772 58.200 -0.953 0.000 0.815 391 S CB 1.867 64.411 63.200 -1.093 0.000 1.130 391 S HN 1.407 nan 8.310 nan 0.000 0.471 392 Y N 2.112 122.039 120.300 -0.622 0.000 2.425 392 Y HA 0.520 5.069 4.550 -0.001 0.000 0.347 392 Y C 0.073 175.990 175.900 0.028 0.000 0.976 392 Y CA -0.418 57.648 58.100 -0.058 0.000 1.190 392 Y CB 0.556 39.154 38.460 0.230 0.000 1.136 392 Y HN 0.779 nan 8.280 nan 0.000 0.517 393 T N 10.116 124.371 114.554 -0.499 0.000 2.779 393 T HA 0.213 4.562 4.350 -0.001 0.000 0.296 393 T C -2.388 171.689 174.700 -1.038 0.000 0.938 393 T CA -0.928 60.842 62.100 -0.552 0.000 1.119 393 T CB 0.485 69.172 68.868 -0.301 0.000 0.891 393 T HN 0.481 nan 8.240 nan 0.000 0.526 394 P HA 0.106 nan 4.420 nan 0.000 0.271 394 P C -1.653 175.551 177.300 -0.160 0.000 1.233 394 P CA -1.455 61.391 63.100 -0.424 0.000 0.789 394 P CB 0.129 31.762 31.700 -0.111 0.000 0.951 395 P HA -0.207 nan 4.420 nan 0.000 0.211 395 P C 1.275 178.597 177.300 0.036 0.000 1.179 395 P CA 1.803 65.005 63.100 0.170 0.000 0.910 395 P CB -0.510 31.349 31.700 0.266 0.000 0.785 396 S N 0.004 115.727 115.700 0.040 0.000 2.412 396 S HA -0.245 4.225 4.470 -0.001 0.000 0.246 396 S C 2.128 176.703 174.600 -0.041 0.000 1.073 396 S CA 2.707 60.909 58.200 0.004 0.000 1.186 396 S CB -1.841 61.366 63.200 0.013 0.000 1.084 396 S HN 0.335 nan 8.310 nan 0.000 0.434 397 T N 2.285 116.803 114.554 -0.060 0.000 2.624 397 T HA -0.158 4.192 4.350 -0.001 0.000 0.268 397 T C 1.911 176.541 174.700 -0.116 0.000 1.041 397 T CA 1.645 63.695 62.100 -0.083 0.000 1.159 397 T CB -0.823 67.985 68.868 -0.100 0.000 0.863 397 T HN 0.218 nan 8.240 nan 0.000 0.434 398 V N 1.566 121.384 119.914 -0.159 0.000 2.231 398 V HA -0.247 3.873 4.120 -0.001 0.000 0.250 398 V C 2.538 178.493 176.094 -0.230 0.000 1.058 398 V CA 1.986 64.132 62.300 -0.255 0.000 1.022 398 V CB -0.896 30.665 31.823 -0.436 0.000 0.640 398 V HN 0.415 nan 8.190 nan 0.000 0.445 399 L N -0.652 120.465 121.223 -0.177 0.000 2.043 399 L HA -0.307 4.033 4.340 -0.001 0.000 0.212 399 L C 2.713 179.529 176.870 -0.090 0.000 1.075 399 L CA 1.957 56.728 54.840 -0.115 0.000 0.752 399 L CB -0.675 41.355 42.059 -0.049 0.000 0.891 399 L HN 0.420 nan 8.230 nan 0.000 0.432 400 Q N -0.658 119.095 119.800 -0.079 0.000 2.030 400 Q HA -0.278 4.062 4.340 -0.001 0.000 0.204 400 Q C 2.294 178.252 176.000 -0.070 0.000 0.986 400 Q CA 1.792 57.557 55.803 -0.063 0.000 0.843 400 Q CB -0.277 28.428 28.738 -0.054 0.000 0.904 400 Q HN 0.579 nan 8.270 nan 0.000 0.420 401 Q N 0.364 120.114 119.800 -0.085 0.000 2.096 401 Q HA -0.214 4.125 4.340 -0.001 0.000 0.208 401 Q C 2.118 178.072 176.000 -0.077 0.000 0.993 401 Q CA 1.371 57.125 55.803 -0.081 0.000 0.862 401 Q CB -0.298 28.382 28.738 -0.097 0.000 0.915 401 Q HN 0.427 nan 8.270 nan 0.000 0.416 402 I N 0.678 121.193 120.570 -0.091 0.000 2.361 402 I HA -0.245 3.924 4.170 -0.001 0.000 0.251 402 I C 1.920 178.000 176.117 -0.061 0.000 1.133 402 I CA 0.901 62.156 61.300 -0.076 0.000 1.413 402 I CB -0.040 37.905 38.000 -0.092 0.000 1.073 402 I HN 0.195 nan 8.210 nan 0.000 0.424 403 D N 0.610 120.973 120.400 -0.060 0.000 2.149 403 D HA -0.089 4.550 4.640 -0.001 0.000 0.201 403 D C 2.203 178.475 176.300 -0.046 0.000 0.972 403 D CA 1.191 55.161 54.000 -0.049 0.000 0.835 403 D CB 0.161 40.934 40.800 -0.045 0.000 0.966 403 D HN 0.332 nan 8.370 nan 0.000 0.476 404 A N 0.473 123.264 122.820 -0.048 0.000 2.076 404 A HA -0.093 4.227 4.320 -0.001 0.000 0.220 404 A C 1.327 178.882 177.584 -0.047 0.000 1.160 404 A CA 0.328 52.339 52.037 -0.045 0.000 0.653 404 A CB -0.414 18.559 19.000 -0.045 0.000 0.801 404 A HN 0.097 nan 8.150 nan 0.000 0.455 405 V N 0.703 120.586 119.914 -0.052 0.000 2.625 405 V HA 0.176 4.296 4.120 -0.001 0.000 0.305 405 V C 0.994 177.054 176.094 -0.056 0.000 1.055 405 V CA 0.176 62.440 62.300 -0.059 0.000 1.209 405 V CB -0.195 31.591 31.823 -0.060 0.000 0.877 405 V HN 0.570 nan 8.190 nan 0.000 0.489 406 A N 4.539 127.323 122.820 -0.061 0.000 2.340 406 A HA 0.291 4.610 4.320 -0.001 0.000 0.268 406 A C 1.168 178.717 177.584 -0.058 0.000 1.100 406 A CA -0.464 51.540 52.037 -0.054 0.000 0.803 406 A CB 0.184 19.153 19.000 -0.052 0.000 1.043 406 A HN 0.913 nan 8.150 nan 0.000 0.488 407 D N 1.840 122.212 120.400 -0.046 0.000 2.158 407 D HA -0.221 4.419 4.640 -0.001 0.000 0.197 407 D C 2.011 178.280 176.300 -0.052 0.000 0.995 407 D CA 1.854 55.828 54.000 -0.044 0.000 0.846 407 D CB -0.138 40.643 40.800 -0.032 0.000 0.941 407 D HN 0.640 nan 8.370 nan 0.000 0.456 408 A N 1.542 124.330 122.820 -0.053 0.000 1.832 408 A HA -0.212 4.108 4.320 -0.001 0.000 0.214 408 A C 1.981 179.515 177.584 -0.083 0.000 1.200 408 A CA 1.624 53.627 52.037 -0.058 0.000 0.610 408 A CB -0.727 18.244 19.000 -0.049 0.000 0.842 408 A HN 0.063 nan 8.150 nan 0.000 0.444 409 D N -0.274 120.070 120.400 -0.092 0.000 2.569 409 D HA -0.230 4.410 4.640 -0.001 0.000 0.191 409 D C 1.996 178.185 176.300 -0.185 0.000 1.042 409 D CA 2.425 56.348 54.000 -0.129 0.000 0.873 409 D CB -0.221 40.509 40.800 -0.116 0.000 0.946 409 D HN 0.179 nan 8.370 nan 0.000 0.467 410 V N 1.811 121.627 119.914 -0.164 0.000 2.252 410 V HA -0.281 3.839 4.120 -0.001 0.000 0.249 410 V C 2.645 178.630 176.094 -0.183 0.000 1.056 410 V CA 1.518 63.707 62.300 -0.186 0.000 1.022 410 V CB -0.450 31.307 31.823 -0.110 0.000 0.641 410 V HN 0.279 nan 8.190 nan 0.000 0.445 411 I N 0.676 121.173 120.570 -0.121 0.000 2.127 411 I HA -0.274 3.896 4.170 -0.001 0.000 0.241 411 I C 2.474 178.526 176.117 -0.109 0.000 1.075 411 I CA 2.360 63.606 61.300 -0.091 0.000 1.334 411 I CB -1.534 36.431 38.000 -0.060 0.000 1.040 411 I HN 0.442 nan 8.210 nan 0.000 0.405 412 N N 1.408 120.034 118.700 -0.123 0.000 2.036 412 N HA -0.186 4.554 4.740 -0.001 0.000 0.195 412 N C 1.863 177.269 175.510 -0.173 0.000 1.037 412 N CA 2.235 55.212 53.050 -0.121 0.000 0.855 412 N CB -0.246 38.168 38.487 -0.121 0.000 1.033 412 N HN 0.348 nan 8.380 nan 0.000 0.423 413 A N 0.525 123.149 122.820 -0.328 0.000 1.869 413 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 413 A C 2.437 179.850 177.584 -0.284 0.000 1.203 413 A CA 2.770 54.456 52.037 -0.585 0.000 0.638 413 A CB -1.571 16.769 19.000 -1.100 0.000 0.831 413 A HN 0.505 nan 8.150 nan 0.000 0.450 414 A N -0.704 121.980 122.820 -0.227 0.000 1.917 414 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 414 A C 2.115 179.737 177.584 0.063 0.000 1.182 414 A CA 2.055 54.058 52.037 -0.057 0.000 0.633 414 A CB -0.544 18.423 19.000 -0.055 0.000 0.819 414 A HN 0.562 nan 8.150 nan 0.000 0.448 415 K N -0.585 119.821 120.400 0.009 0.000 2.113 415 K HA -0.189 4.131 4.320 -0.001 0.000 0.208 415 K C 2.132 178.781 176.600 0.082 0.000 1.047 415 K CA 1.602 57.912 56.287 0.038 0.000 0.928 415 K CB -0.161 32.340 32.500 0.001 0.000 0.716 415 K HN 0.400 nan 8.250 nan 0.000 0.446 416 K N 0.010 120.466 120.400 0.093 0.000 2.147 416 K HA -0.147 4.172 4.320 -0.001 0.000 0.205 416 K C 1.995 178.726 176.600 0.219 0.000 1.049 416 K CA 1.016 57.390 56.287 0.145 0.000 0.936 416 K CB -0.121 32.494 32.500 0.191 0.000 0.722 416 K HN 0.091 nan 8.250 nan 0.000 0.446 417 F N 1.235 121.276 119.950 0.151 0.000 2.084 417 F HA -0.204 4.323 4.527 -0.000 0.000 0.296 417 F C 1.827 177.711 175.800 0.139 0.000 1.111 417 F CA 1.201 59.318 58.000 0.195 0.000 1.224 417 F CB -0.279 38.914 39.000 0.321 0.000 0.991 417 F HN -0.267 nan 8.300 nan 0.000 0.471 418 V N -1.193 118.865 119.914 0.240 0.000 2.490 418 V HA -0.214 3.905 4.120 -0.001 0.000 0.250 418 V C 1.769 177.905 176.094 0.069 0.000 1.061 418 V CA 1.791 64.150 62.300 0.097 0.000 1.064 418 V CB -1.075 30.806 31.823 0.097 0.000 0.670 418 V HN 0.411 nan 8.190 nan 0.000 0.461 419 S N 0.386 116.124 115.700 0.064 0.000 2.449 419 S HA 0.606 5.075 4.470 -0.001 0.000 0.237 419 S C 0.192 174.809 174.600 0.028 0.000 1.214 419 S CA 0.091 58.319 58.200 0.046 0.000 1.226 419 S CB -0.374 62.856 63.200 0.049 0.000 0.904 419 S HN 0.696 nan 8.310 nan 0.000 0.490 420 G N 1.043 109.838 108.800 -0.008 0.000 2.701 420 G HA2 0.468 4.428 3.960 -0.001 0.000 0.300 420 G HA3 0.468 4.428 3.960 -0.001 0.000 0.300 420 G C -0.822 174.056 174.900 -0.036 0.000 1.410 420 G CA -1.010 44.078 45.100 -0.020 0.000 1.014 420 G HN 0.429 nan 8.290 nan 0.000 0.509 421 R N 1.113 121.636 120.500 0.037 0.000 2.504 421 R HA -0.012 4.328 4.340 -0.001 0.000 0.302 421 R C 0.236 176.573 176.300 0.062 0.000 0.893 421 R CA 0.627 56.771 56.100 0.073 0.000 1.138 421 R CB 0.076 30.481 30.300 0.175 0.000 0.880 421 R HN 0.435 nan 8.270 nan 0.000 0.415 422 K N 2.094 122.472 120.400 -0.036 0.000 2.168 422 K HA 0.289 4.609 4.320 -0.001 0.000 0.258 422 K C -0.655 175.905 176.600 -0.068 0.000 1.010 422 K CA -0.175 56.066 56.287 -0.076 0.000 0.929 422 K CB 1.391 33.827 32.500 -0.107 0.000 0.998 422 K HN 0.707 nan 8.250 nan 0.000 0.479 423 S N 1.174 116.837 115.700 -0.062 0.000 2.653 423 S HA 0.420 4.889 4.470 -0.001 0.000 0.268 423 S C -0.864 173.678 174.600 -0.096 0.000 1.153 423 S CA -1.076 57.064 58.200 -0.100 0.000 1.036 423 S CB 0.360 63.486 63.200 -0.122 0.000 1.103 423 S HN 0.688 nan 8.310 nan 0.000 0.466 424 M N 3.354 122.878 119.600 -0.127 0.000 2.602 424 M HA 0.917 5.396 4.480 -0.001 0.000 0.312 424 M C -1.724 174.484 176.300 -0.154 0.000 1.181 424 M CA -0.667 54.541 55.300 -0.154 0.000 0.910 424 M CB 2.122 34.618 32.600 -0.172 0.000 1.723 424 M HN 0.947 nan 8.290 nan 0.000 0.459 425 A N 2.563 125.277 122.820 -0.176 0.000 2.408 425 A HA 0.930 5.250 4.320 -0.001 0.000 0.295 425 A C -1.437 176.038 177.584 -0.182 0.000 1.040 425 A CA -0.333 51.611 52.037 -0.155 0.000 0.707 425 A CB 1.353 20.278 19.000 -0.125 0.000 1.235 425 A HN 1.240 nan 8.150 nan 0.000 0.418 426 A N 1.198 123.930 122.820 -0.147 0.000 2.527 426 A HA 0.981 5.300 4.320 -0.001 0.000 0.293 426 A C -0.325 177.214 177.584 -0.075 0.000 1.117 426 A CA -0.479 51.480 52.037 -0.130 0.000 0.723 426 A CB 1.568 20.480 19.000 -0.145 0.000 1.313 426 A HN 1.416 nan 8.150 nan 0.000 0.411 427 S N -0.976 114.697 115.700 -0.044 0.000 2.546 427 S HA 0.914 5.384 4.470 -0.001 0.000 0.274 427 S C 0.065 174.659 174.600 -0.011 0.000 1.121 427 S CA -0.012 58.170 58.200 -0.029 0.000 0.887 427 S CB 1.542 64.715 63.200 -0.045 0.000 1.094 427 S HN 2.654 nan 8.310 nan 0.000 0.474 428 G N 1.962 110.749 108.800 -0.021 0.000 2.447 428 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.220 428 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.220 428 G C -0.876 174.008 174.900 -0.026 0.000 1.261 428 G CA -0.816 44.276 45.100 -0.013 0.000 1.000 428 G HN 0.846 nan 8.290 nan 0.000 0.515 429 N N 0.667 119.348 118.700 -0.032 0.000 2.400 429 N HA 0.363 5.102 4.740 -0.001 0.000 0.267 429 N C 1.026 176.505 175.510 -0.052 0.000 1.208 429 N CA -0.333 52.689 53.050 -0.047 0.000 0.951 429 N CB -0.099 38.347 38.487 -0.067 0.000 1.227 429 N HN 0.456 nan 8.380 nan 0.000 0.488 430 L N 3.194 124.398 121.223 -0.033 0.000 2.998 430 L HA 0.225 4.565 4.340 -0.001 0.000 0.234 430 L C 1.804 178.690 176.870 0.027 0.000 1.350 430 L CA -0.428 54.400 54.840 -0.021 0.000 1.202 430 L CB -0.160 41.874 42.059 -0.042 0.000 1.583 430 L HN 0.652 nan 8.230 nan 0.000 0.456 431 G N -1.118 107.686 108.800 0.007 0.000 2.403 431 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.216 431 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.216 431 G C 0.998 176.087 174.900 0.315 0.000 1.154 431 G CA 0.179 45.353 45.100 0.122 0.000 0.784 431 G HN 0.624 nan 8.290 nan 0.000 0.538 432 H N -0.140 118.937 119.070 0.012 0.000 2.490 432 H HA 0.268 4.824 4.556 -0.001 0.000 0.285 432 H C -0.350 174.976 175.328 -0.003 0.000 1.127 432 H CA -0.479 55.575 56.048 0.009 0.000 0.993 432 H CB 0.516 30.278 29.762 -0.001 0.000 1.653 432 H HN 0.057 nan 8.280 nan 0.000 0.557 433 T N 4.015 118.623 114.554 0.090 0.000 2.821 433 T HA 0.157 4.507 4.350 -0.001 0.000 0.307 433 T C -2.301 172.382 174.700 -0.027 0.000 1.034 433 T CA -1.549 60.548 62.100 -0.004 0.000 0.953 433 T CB 1.444 70.261 68.868 -0.086 0.000 0.968 433 T HN 0.188 nan 8.240 nan 0.000 0.462 434 P HA 0.003 nan 4.420 nan 0.000 0.267 434 P C -0.506 176.775 177.300 -0.031 0.000 1.175 434 P CA 0.080 63.202 63.100 0.036 0.000 0.763 434 P CB 0.526 32.223 31.700 -0.005 0.000 0.795 435 F N 0.681 120.602 119.950 -0.048 0.000 2.456 435 F HA 0.211 4.737 4.527 -0.000 0.000 0.364 435 F C 2.194 177.948 175.800 -0.077 0.000 1.092 435 F CA -0.413 57.554 58.000 -0.055 0.000 1.125 435 F CB -0.333 38.639 39.000 -0.046 0.000 1.543 435 F HN 0.145 nan 8.300 nan 0.000 0.504 436 I N -0.700 119.961 120.570 0.152 0.000 2.179 436 I HA -0.206 3.964 4.170 -0.001 0.000 0.242 436 I C 1.438 177.560 176.117 0.008 0.000 1.088 436 I CA 1.551 62.867 61.300 0.027 0.000 1.357 436 I CB -0.874 37.133 38.000 0.013 0.000 1.051 436 I HN 0.359 nan 8.210 nan 0.000 0.409 437 D N 0.762 121.185 120.400 0.039 0.000 2.348 437 D HA -0.130 4.509 4.640 -0.001 0.000 0.216 437 D C 1.921 178.217 176.300 -0.006 0.000 0.970 437 D CA 0.805 54.804 54.000 -0.001 0.000 0.889 437 D CB -0.228 40.561 40.800 -0.018 0.000 0.912 437 D HN 0.467 nan 8.370 nan 0.000 0.524 438 E N -0.259 119.953 120.200 0.021 0.000 2.274 438 E HA 0.079 4.429 4.350 -0.001 0.000 0.194 438 E C 0.611 177.183 176.600 -0.047 0.000 0.996 438 E CA 0.422 56.826 56.400 0.007 0.000 0.840 438 E CB 0.276 30.009 29.700 0.056 0.000 0.772 438 E HN 0.258 nan 8.360 nan 0.000 0.491 439 L N 0.000 121.159 121.223 -0.106 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 439 L CA 0.000 54.709 54.840 -0.218 0.000 0.813 439 L CB 0.000 41.826 42.059 -0.388 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502