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 3d4g_1_B DATA FIRST_RESID 3 DATA SEQUENCE TEEGKLVIWI NGDKGYNGLA EVGKKFEKDT GIKVTVEHPD KLEEKFPQVA DATA SEQUENCE ATGDGPDIIF WAHDRFGGYA QSGLLAEITP DKAFQDKLYP FTWDAVRYNG DATA SEQUENCE KLIAYPIAVE ALSLIYNKDL LPNPPKTWEE IPALDKELKA KGKSALMFNL DATA SEQUENCE QEPYFTWPLI AADGGYAFKY ENGKYDIKDV GVDNAGAKAG LTFLVDLIKN DATA SEQUENCE KHMNADTDYS IAEAAFNKGE TAMTINGPWA WSNIDTSKVN YGVTVLPTFK DATA SEQUENCE GQPSKPFVGV LSAGINAASP NKELAKEFLE NYLLTDEGLE AVNKDKPLGA DATA SEQUENCE VALKSYEEEL AKDPRIAATM ENAQKGEIMP NIPQMSAFWY AVRTAVINAA DATA SEQUENCE SGRQTVDAAL AAAQTNAAAV KVEcLEAELV VTVSRDLFGT GKLVQPGDLT DATA SEQUENCE LGSEGcQPRV SVDTDVVRFN AQLHEcSSRV QMTKDALVYS TFLLHDPRPV DATA SEQUENCE SGLSILRTNR VEVPIEcRYP R 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.677 174.700 -0.039 0.000 1.109 3 T CA 0.000 62.067 62.100 -0.055 0.000 1.349 3 T CB 0.000 68.822 68.868 -0.077 0.000 0.612 4 E N 1.445 121.627 120.200 -0.031 0.000 2.214 4 E HA 0.476 4.827 4.350 0.001 0.000 0.274 4 E C -0.447 176.142 176.600 -0.020 0.000 0.977 4 E CA -0.599 55.788 56.400 -0.022 0.000 0.827 4 E CB 1.314 31.005 29.700 -0.015 0.000 1.130 4 E HN 0.640 nan 8.360 nan 0.000 0.394 5 E N 1.618 121.810 120.200 -0.014 0.000 2.319 5 E HA 0.349 4.700 4.350 0.001 0.000 0.268 5 E C 0.187 176.786 176.600 -0.003 0.000 1.050 5 E CA 0.517 56.912 56.400 -0.008 0.000 0.878 5 E CB 0.787 30.483 29.700 -0.006 0.000 1.066 5 E HN 0.727 nan 8.360 nan 0.000 0.406 6 G N 3.113 111.916 108.800 0.004 0.000 2.141 6 G HA2 -0.260 3.701 3.960 0.001 0.000 0.242 6 G HA3 -0.260 3.701 3.960 0.001 0.000 0.242 6 G C -0.226 174.683 174.900 0.015 0.000 0.982 6 G CA 0.624 45.730 45.100 0.010 0.000 0.662 6 G HN 0.687 nan 8.290 nan 0.000 0.527 7 K N -1.321 119.085 120.400 0.010 0.000 2.571 7 K HA 0.813 5.133 4.320 0.001 0.000 0.289 7 K C -1.462 175.124 176.600 -0.024 0.000 1.028 7 K CA -1.332 54.958 56.287 0.006 0.000 0.895 7 K CB 1.151 33.649 32.500 -0.002 0.000 1.534 7 K HN 0.253 nan 8.250 nan 0.000 0.421 8 L N 1.768 122.954 121.223 -0.062 0.000 2.376 8 L HA 0.482 4.823 4.340 0.001 0.000 0.275 8 L C -1.124 175.674 176.870 -0.120 0.000 0.987 8 L CA -1.256 53.504 54.840 -0.133 0.000 0.828 8 L CB 2.181 44.067 42.059 -0.289 0.000 1.249 8 L HN 0.394 nan 8.230 nan 0.000 0.409 9 V N 4.836 124.697 119.914 -0.088 0.000 2.398 9 V HA 0.495 4.615 4.120 0.001 0.000 0.286 9 V C 0.033 176.108 176.094 -0.031 0.000 1.026 9 V CA -0.318 61.959 62.300 -0.038 0.000 0.868 9 V CB 1.959 33.773 31.823 -0.016 0.000 0.982 9 V HN 0.502 nan 8.190 nan 0.000 0.443 10 I N 3.662 124.273 120.570 0.069 0.000 2.465 10 I HA 0.441 4.612 4.170 0.001 0.000 0.291 10 I C -1.112 175.252 176.117 0.411 0.000 1.014 10 I CA -0.438 60.964 61.300 0.170 0.000 1.093 10 I CB 2.124 40.204 38.000 0.133 0.000 1.267 10 I HN 0.511 nan 8.210 nan 0.000 0.431 11 W N 7.178 128.561 121.300 0.138 0.000 2.478 11 W HA 0.708 5.369 4.660 0.001 0.000 0.318 11 W C -0.345 176.307 176.519 0.221 0.000 1.062 11 W CA -0.995 56.425 57.345 0.125 0.000 1.210 11 W CB 1.256 30.770 29.460 0.090 0.000 1.325 11 W HN 0.215 nan 8.180 nan 0.000 0.496 12 I N 3.135 123.897 120.570 0.320 0.000 2.827 12 I HA 0.259 4.430 4.170 0.001 0.000 0.298 12 I C -0.387 175.820 176.117 0.151 0.000 1.235 12 I CA -0.832 60.603 61.300 0.224 0.000 1.021 12 I CB 1.712 39.681 38.000 -0.051 0.000 1.259 12 I HN 0.259 nan 8.210 nan 0.000 0.427 13 N N 3.494 122.268 118.700 0.124 0.000 2.441 13 N HA 0.177 4.917 4.740 0.001 0.000 0.251 13 N C 1.058 176.556 175.510 -0.021 0.000 1.242 13 N CA 1.179 54.255 53.050 0.043 0.000 0.898 13 N CB 1.506 39.883 38.487 -0.184 0.000 1.100 13 N HN 0.749 nan 8.380 nan 0.000 0.443 14 G N 0.937 109.715 108.800 -0.036 0.000 2.509 14 G HA2 -0.225 3.735 3.960 0.001 0.000 0.218 14 G HA3 -0.225 3.735 3.960 0.001 0.000 0.218 14 G C 0.686 175.577 174.900 -0.014 0.000 1.124 14 G CA 0.881 45.945 45.100 -0.059 0.000 0.776 14 G HN 0.822 nan 8.290 nan 0.000 0.547 15 D N -0.427 119.863 120.400 -0.184 0.000 2.340 15 D HA 0.064 4.705 4.640 0.001 0.000 0.220 15 D C 0.863 177.040 176.300 -0.205 0.000 1.039 15 D CA 0.195 54.041 54.000 -0.257 0.000 0.866 15 D CB 0.207 40.661 40.800 -0.577 0.000 0.913 15 D HN -0.003 nan 8.370 nan 0.000 0.523 16 K N 0.214 120.522 120.400 -0.153 0.000 2.132 16 K HA 0.521 4.842 4.320 0.001 0.000 0.241 16 K C 0.845 177.377 176.600 -0.114 0.000 1.000 16 K CA -0.742 55.477 56.287 -0.113 0.000 0.911 16 K CB 0.878 33.299 32.500 -0.131 0.000 1.093 16 K HN 0.025 nan 8.250 nan 0.000 0.460 17 G N 1.897 110.628 108.800 -0.116 0.000 3.102 17 G HA2 0.070 4.031 3.960 0.001 0.000 0.264 17 G HA3 0.070 4.031 3.960 0.001 0.000 0.264 17 G C 0.706 175.499 174.900 -0.177 0.000 0.788 17 G CA -0.094 44.899 45.100 -0.180 0.000 2.029 17 G HN 0.597 nan 8.290 nan 0.000 0.608 18 Y N -0.431 119.801 120.300 -0.114 0.000 2.373 18 Y HA 0.011 4.562 4.550 0.001 0.000 0.293 18 Y C 2.009 177.882 175.900 -0.045 0.000 1.129 18 Y CA 0.738 58.777 58.100 -0.102 0.000 1.226 18 Y CB -0.484 37.911 38.460 -0.109 0.000 1.000 18 Y HN 0.360 nan 8.280 nan 0.000 0.549 19 N N 0.700 119.293 118.700 -0.180 0.000 2.188 19 N HA -0.047 4.693 4.740 0.001 0.000 0.184 19 N C 2.158 177.662 175.510 -0.010 0.000 1.018 19 N CA 1.107 54.135 53.050 -0.037 0.000 0.858 19 N CB -0.433 37.978 38.487 -0.127 0.000 0.989 19 N HN 0.549 nan 8.380 nan 0.000 0.426 20 G N 0.998 109.767 108.800 -0.052 0.000 2.402 20 G HA2 -0.191 3.770 3.960 0.001 0.000 0.216 20 G HA3 -0.191 3.770 3.960 0.001 0.000 0.216 20 G C 1.424 176.338 174.900 0.024 0.000 1.162 20 G CA 0.286 45.379 45.100 -0.012 0.000 0.777 20 G HN 0.139 nan 8.290 nan 0.000 0.539 21 L N 1.426 122.659 121.223 0.017 0.000 2.083 21 L HA 0.126 4.466 4.340 0.001 0.000 0.209 21 L C 3.024 179.973 176.870 0.132 0.000 1.083 21 L CA 1.985 56.861 54.840 0.060 0.000 0.752 21 L CB -0.607 41.437 42.059 -0.025 0.000 0.899 21 L HN 0.234 nan 8.230 nan 0.000 0.433 22 A N -1.029 121.856 122.820 0.108 0.000 1.972 22 A HA -0.212 4.109 4.320 0.001 0.000 0.219 22 A C 2.159 179.815 177.584 0.119 0.000 1.169 22 A CA 1.699 53.805 52.037 0.115 0.000 0.635 22 A CB -0.528 18.542 19.000 0.118 0.000 0.810 22 A HN 0.598 nan 8.150 nan 0.000 0.446 23 E N -0.390 119.871 120.200 0.102 0.000 2.072 23 E HA -0.110 4.240 4.350 0.001 0.000 0.191 23 E C 1.903 178.589 176.600 0.143 0.000 0.985 23 E CA 1.244 57.705 56.400 0.101 0.000 0.801 23 E CB -0.218 29.524 29.700 0.069 0.000 0.750 23 E HN 0.406 nan 8.360 nan 0.000 0.452 24 V N 0.695 120.708 119.914 0.165 0.000 2.490 24 V HA -0.175 3.945 4.120 0.001 0.000 0.250 24 V C 2.266 178.595 176.094 0.392 0.000 1.061 24 V CA 1.868 64.305 62.300 0.228 0.000 1.064 24 V CB -0.793 31.116 31.823 0.143 0.000 0.670 24 V HN 0.403 nan 8.190 nan 0.000 0.461 25 G N -0.483 108.541 108.800 0.373 0.000 2.421 25 G HA2 -0.157 3.803 3.960 0.001 0.000 0.217 25 G HA3 -0.157 3.803 3.960 0.001 0.000 0.217 25 G C 1.662 176.702 174.900 0.234 0.000 1.143 25 G CA 0.305 45.585 45.100 0.300 0.000 0.784 25 G HN 0.371 nan 8.290 nan 0.000 0.541 26 K N 0.551 121.060 120.400 0.181 0.000 2.057 26 K HA -0.073 4.248 4.320 0.001 0.000 0.207 26 K C 2.347 179.040 176.600 0.155 0.000 1.049 26 K CA 1.241 57.611 56.287 0.139 0.000 0.931 26 K CB -0.211 32.353 32.500 0.108 0.000 0.714 26 K HN 0.358 nan 8.250 nan 0.000 0.440 27 K N 0.283 120.805 120.400 0.204 0.000 2.057 27 K HA -0.143 4.178 4.320 0.001 0.000 0.206 27 K C 2.093 178.850 176.600 0.261 0.000 1.050 27 K CA 0.968 57.396 56.287 0.235 0.000 0.935 27 K CB -0.250 32.421 32.500 0.284 0.000 0.715 27 K HN -0.042 nan 8.250 nan 0.000 0.439 28 F N 2.280 122.266 119.950 0.060 0.000 2.126 28 F HA -0.204 4.323 4.527 0.001 0.000 0.299 28 F C 2.234 177.965 175.800 -0.115 0.000 1.096 28 F CA 2.086 59.931 58.000 -0.258 0.000 1.255 28 F CB -0.198 38.682 39.000 -0.199 0.000 0.997 28 F HN 0.213 nan 8.300 nan 0.000 0.479 29 E N 0.178 120.412 120.200 0.057 0.000 2.106 29 E HA -0.272 4.079 4.350 0.001 0.000 0.192 29 E C 2.351 178.919 176.600 -0.052 0.000 0.984 29 E CA 1.240 57.628 56.400 -0.019 0.000 0.806 29 E CB -0.222 29.510 29.700 0.053 0.000 0.750 29 E HN 0.435 nan 8.360 nan 0.000 0.458 30 K N 0.276 120.677 120.400 0.002 0.000 2.032 30 K HA -0.200 4.120 4.320 0.001 0.000 0.209 30 K C 1.481 178.069 176.600 -0.019 0.000 1.048 30 K CA 2.081 58.374 56.287 0.010 0.000 0.927 30 K CB 0.020 32.550 32.500 0.050 0.000 0.712 30 K HN 0.075 nan 8.250 nan 0.000 0.441 31 D N -0.784 119.600 120.400 -0.027 0.000 2.162 31 D HA -0.065 4.576 4.640 0.001 0.000 0.203 31 D C 1.566 177.791 176.300 -0.125 0.000 0.967 31 D CA 1.341 55.325 54.000 -0.027 0.000 0.840 31 D CB -0.041 40.819 40.800 0.098 0.000 0.972 31 D HN 0.255 nan 8.370 nan 0.000 0.482 32 T N -1.829 112.552 114.554 -0.288 0.000 3.034 32 T HA 0.326 4.677 4.350 0.001 0.000 0.248 32 T C 1.542 176.112 174.700 -0.216 0.000 1.040 32 T CA 0.681 62.575 62.100 -0.345 0.000 1.107 32 T CB 0.936 69.346 68.868 -0.763 0.000 0.932 32 T HN 0.253 nan 8.240 nan 0.000 0.474 33 G N 1.363 110.057 108.800 -0.176 0.000 2.175 33 G HA2 -0.198 3.762 3.960 0.001 0.000 0.244 33 G HA3 -0.198 3.762 3.960 0.001 0.000 0.244 33 G C -0.061 174.798 174.900 -0.068 0.000 0.982 33 G CA -0.372 44.674 45.100 -0.091 0.000 0.641 33 G HN 0.452 nan 8.290 nan 0.000 0.527 34 I N 1.590 122.101 120.570 -0.098 0.000 2.325 34 I HA 0.378 4.549 4.170 0.001 0.000 0.291 34 I C 0.703 176.861 176.117 0.069 0.000 1.019 34 I CA -0.764 60.538 61.300 0.004 0.000 1.302 34 I CB 1.495 39.542 38.000 0.078 0.000 1.401 34 I HN 0.181 nan 8.210 nan 0.000 0.485 35 K N 5.213 125.641 120.400 0.046 0.000 2.326 35 K HA 0.475 4.796 4.320 0.001 0.000 0.275 35 K C -1.148 175.470 176.600 0.029 0.000 1.018 35 K CA -0.293 56.020 56.287 0.042 0.000 0.962 35 K CB 0.722 33.234 32.500 0.021 0.000 0.953 35 K HN 0.403 nan 8.250 nan 0.000 0.475 36 V N 3.663 123.583 119.914 0.010 0.000 2.407 36 V HA 0.208 4.328 4.120 0.001 0.000 0.291 36 V C -0.686 175.380 176.094 -0.047 0.000 1.018 36 V CA -0.777 61.472 62.300 -0.085 0.000 0.842 36 V CB 1.750 33.461 31.823 -0.186 0.000 0.996 36 V HN 0.835 nan 8.190 nan 0.000 0.426 37 T N 4.714 119.241 114.554 -0.044 0.000 2.770 37 T HA 0.453 4.803 4.350 0.001 0.000 0.297 37 T C -0.164 174.551 174.700 0.024 0.000 0.997 37 T CA -0.286 61.816 62.100 0.003 0.000 0.949 37 T CB 1.251 70.130 68.868 0.018 0.000 0.941 37 T HN 0.326 nan 8.240 nan 0.000 0.457 38 V N 4.812 124.752 119.914 0.043 0.000 2.432 38 V HA 0.382 4.502 4.120 0.001 0.000 0.275 38 V C 0.262 176.399 176.094 0.073 0.000 1.043 38 V CA -0.530 61.816 62.300 0.077 0.000 0.925 38 V CB 1.004 32.881 31.823 0.091 0.000 0.985 38 V HN 0.825 nan 8.190 nan 0.000 0.466 39 E N 3.502 123.754 120.200 0.085 0.000 2.312 39 E HA 0.505 4.856 4.350 0.001 0.000 0.267 39 E C -0.921 175.585 176.600 -0.156 0.000 0.894 39 E CA -0.736 55.614 56.400 -0.083 0.000 0.773 39 E CB 2.071 31.720 29.700 -0.085 0.000 1.241 39 E HN 0.891 nan 8.360 nan 0.000 0.432 40 H N 0.030 118.872 119.070 -0.380 0.000 2.336 40 H HA 0.324 4.880 4.556 0.001 0.000 0.230 40 H C -2.670 172.419 175.328 -0.399 0.000 1.426 40 H CA -2.229 53.584 56.048 -0.393 0.000 1.359 40 H CB -0.323 29.119 29.762 -0.534 0.000 1.555 40 H HN 0.233 nan 8.280 nan 0.000 0.512 41 P HA 0.039 nan 4.420 nan 0.000 0.272 41 P C 0.162 177.256 177.300 -0.344 0.000 1.223 41 P CA -0.103 62.659 63.100 -0.564 0.000 0.784 41 P CB 1.403 32.568 31.700 -0.893 0.000 0.923 42 D N 1.864 122.120 120.400 -0.240 0.000 2.399 42 D HA 0.003 4.643 4.640 0.001 0.000 0.241 42 D C 0.365 176.576 176.300 -0.149 0.000 1.133 42 D CA 0.241 54.159 54.000 -0.137 0.000 0.890 42 D CB 0.245 40.991 40.800 -0.091 0.000 1.201 42 D HN 0.224 nan 8.370 nan 0.000 0.432 43 K N 2.033 122.372 120.400 -0.102 0.000 3.077 43 K HA -0.187 4.133 4.320 0.001 0.000 0.264 43 K C 1.108 177.604 176.600 -0.173 0.000 1.008 43 K CA 0.719 56.931 56.287 -0.125 0.000 0.740 43 K CB -2.055 30.386 32.500 -0.099 0.000 1.273 43 K HN 0.515 nan 8.250 nan 0.000 0.477 44 L N -0.566 120.542 121.223 -0.192 0.000 2.201 44 L HA -0.070 4.271 4.340 0.001 0.000 0.212 44 L C 2.274 179.079 176.870 -0.109 0.000 1.105 44 L CA 1.892 56.647 54.840 -0.142 0.000 0.775 44 L CB -0.387 41.621 42.059 -0.084 0.000 0.913 44 L HN 0.266 nan 8.230 nan 0.000 0.440 45 E N 1.043 120.943 120.200 -0.501 0.000 2.204 45 E HA -0.239 4.111 4.350 0.001 0.000 0.194 45 E C 1.540 178.008 176.600 -0.219 0.000 0.989 45 E CA 1.676 57.692 56.400 -0.640 0.000 0.824 45 E CB -0.379 28.382 29.700 -1.564 0.000 0.756 45 E HN 0.818 nan 8.360 nan 0.000 0.477 46 E N 0.806 120.897 120.200 -0.181 0.000 2.140 46 E HA 0.022 4.373 4.350 0.001 0.000 0.191 46 E C 2.100 178.689 176.600 -0.018 0.000 0.973 46 E CA 0.370 56.724 56.400 -0.077 0.000 0.829 46 E CB 0.105 29.750 29.700 -0.092 0.000 0.781 46 E HN 0.215 nan 8.360 nan 0.000 0.466 47 K N 0.552 120.960 120.400 0.013 0.000 2.103 47 K HA -0.101 4.220 4.320 0.001 0.000 0.204 47 K C 1.951 178.648 176.600 0.162 0.000 1.052 47 K CA 0.839 57.180 56.287 0.089 0.000 0.945 47 K CB -0.196 32.360 32.500 0.094 0.000 0.722 47 K HN 0.019 nan 8.250 nan 0.000 0.443 48 F N 3.423 123.423 119.950 0.083 0.000 2.043 48 F HA -0.189 4.339 4.527 0.001 0.000 0.297 48 F C -1.125 174.497 175.800 -0.296 0.000 1.118 48 F CA 1.413 59.322 58.000 -0.152 0.000 1.202 48 F CB -1.036 37.730 39.000 -0.390 0.000 0.965 48 F HN -0.013 nan 8.300 nan 0.000 0.482 49 P HA -0.188 nan 4.420 nan 0.000 0.220 49 P C 1.155 178.270 177.300 -0.308 0.000 1.148 49 P CA 1.768 64.621 63.100 -0.412 0.000 0.803 49 P CB -0.251 31.401 31.700 -0.081 0.000 0.782 50 Q N -0.052 119.628 119.800 -0.201 0.000 2.046 50 Q HA -0.080 4.261 4.340 0.001 0.000 0.200 50 Q C 2.318 178.211 176.000 -0.178 0.000 0.975 50 Q CA 1.896 57.614 55.803 -0.142 0.000 0.836 50 Q CB -0.618 28.078 28.738 -0.071 0.000 0.896 50 Q HN 0.239 nan 8.270 nan 0.000 0.428 51 V N -2.447 117.341 119.914 -0.210 0.000 2.535 51 V HA 0.076 4.196 4.120 0.001 0.000 0.246 51 V C 2.131 178.017 176.094 -0.346 0.000 1.045 51 V CA 1.267 63.438 62.300 -0.216 0.000 1.058 51 V CB -0.938 30.806 31.823 -0.131 0.000 0.689 51 V HN 0.237 nan 8.190 nan 0.000 0.461 52 A N 0.941 123.402 122.820 -0.598 0.000 1.933 52 A HA 0.106 4.426 4.320 0.001 0.000 0.218 52 A C 2.436 179.781 177.584 -0.400 0.000 1.175 52 A CA 2.109 53.744 52.037 -0.669 0.000 0.628 52 A CB -0.959 17.262 19.000 -1.299 0.000 0.814 52 A HN 0.942 nan 8.150 nan 0.000 0.444 53 A N -0.277 122.343 122.820 -0.333 0.000 2.015 53 A HA -0.048 4.273 4.320 0.001 0.000 0.219 53 A C 2.258 179.750 177.584 -0.155 0.000 1.163 53 A CA 2.126 54.038 52.037 -0.207 0.000 0.646 53 A CB -1.144 17.756 19.000 -0.167 0.000 0.806 53 A HN 0.786 nan 8.150 nan 0.000 0.448 54 T N -4.507 109.952 114.554 -0.157 0.000 3.148 54 T HA 0.377 4.727 4.350 0.001 0.000 0.253 54 T C 1.353 175.984 174.700 -0.115 0.000 1.134 54 T CA 1.134 63.163 62.100 -0.117 0.000 1.051 54 T CB -0.033 68.773 68.868 -0.103 0.000 0.959 54 T HN 1.652 nan 8.240 nan 0.000 0.525 55 G N 0.664 109.377 108.800 -0.144 0.000 2.176 55 G HA2 -0.179 3.782 3.960 0.001 0.000 0.232 55 G HA3 -0.179 3.782 3.960 0.001 0.000 0.232 55 G C -0.148 174.669 174.900 -0.138 0.000 0.986 55 G CA 0.147 45.171 45.100 -0.127 0.000 0.643 55 G HN 0.581 nan 8.290 nan 0.000 0.522 56 D N 0.090 120.390 120.400 -0.167 0.000 2.509 56 D HA 0.618 5.259 4.640 0.001 0.000 0.275 56 D C 1.169 177.323 176.300 -0.244 0.000 1.189 56 D CA 0.849 54.752 54.000 -0.162 0.000 1.098 56 D CB 0.176 40.903 40.800 -0.121 0.000 1.177 56 D HN 1.420 nan 8.370 nan 0.000 0.599 57 G N 0.402 109.049 108.800 -0.255 0.000 2.757 57 G HA2 -0.092 3.869 3.960 0.001 0.000 0.638 57 G HA3 -0.092 3.869 3.960 0.001 0.000 0.638 57 G C -2.783 171.853 174.900 -0.440 0.000 1.344 57 G CA -0.690 44.144 45.100 -0.443 0.000 0.855 57 G HN 0.391 nan 8.290 nan 0.000 0.537 58 P HA 0.307 nan 4.420 nan 0.000 0.276 58 P C 0.112 177.263 177.300 -0.249 0.000 1.261 58 P CA -0.174 62.603 63.100 -0.538 0.000 0.800 58 P CB 0.872 31.995 31.700 -0.962 0.000 1.066 59 D N -0.071 120.232 120.400 -0.162 0.000 2.149 59 D HA 0.037 4.677 4.640 0.001 0.000 0.201 59 D C 0.712 176.977 176.300 -0.058 0.000 0.972 59 D CA 1.431 55.379 54.000 -0.088 0.000 0.835 59 D CB 0.281 41.032 40.800 -0.082 0.000 0.966 59 D HN 0.353 nan 8.370 nan 0.000 0.476 60 I N 0.864 121.396 120.570 -0.064 0.000 2.545 60 I HA 0.357 4.527 4.170 0.001 0.000 0.292 60 I C -0.596 175.511 176.117 -0.017 0.000 1.040 60 I CA -0.820 60.468 61.300 -0.020 0.000 1.068 60 I CB 3.233 41.271 38.000 0.062 0.000 1.251 60 I HN -0.203 nan 8.210 nan 0.000 0.424 61 I N 5.081 125.592 120.570 -0.098 0.000 2.436 61 I HA 0.471 4.642 4.170 0.001 0.000 0.289 61 I C -1.497 174.710 176.117 0.149 0.000 1.010 61 I CA -0.444 60.822 61.300 -0.058 0.000 1.098 61 I CB 1.282 38.858 38.000 -0.706 0.000 1.266 61 I HN 0.338 nan 8.210 nan 0.000 0.434 62 F N 7.976 128.084 119.950 0.263 0.000 2.415 62 F HA 0.519 5.047 4.527 0.001 0.000 0.348 62 F C -0.302 175.791 175.800 0.489 0.000 1.119 62 F CA -0.033 58.172 58.000 0.343 0.000 1.069 62 F CB 1.157 40.290 39.000 0.222 0.000 1.124 62 F HN 0.451 nan 8.300 nan 0.000 0.472 63 W N 1.836 123.416 121.300 0.466 0.000 2.989 63 W HA 0.625 5.286 4.660 0.001 0.000 0.344 63 W C -1.230 175.496 176.519 0.346 0.000 1.233 63 W CA -1.305 56.233 57.345 0.322 0.000 1.187 63 W CB 1.522 31.094 29.460 0.186 0.000 1.443 63 W HN 0.621 nan 8.180 nan 0.000 0.573 64 A N 2.126 124.846 122.820 -0.166 0.000 2.507 64 A HA -0.008 4.313 4.320 0.001 0.000 0.235 64 A C 1.359 179.160 177.584 0.361 0.000 1.070 64 A CA 0.941 52.998 52.037 0.033 0.000 0.768 64 A CB -0.167 18.718 19.000 -0.193 0.000 1.011 64 A HN 0.767 nan 8.150 nan 0.000 0.502 65 H N 1.159 120.337 119.070 0.179 0.000 2.518 65 H HA -0.134 4.423 4.556 0.001 0.000 0.289 65 H C 0.925 176.413 175.328 0.266 0.000 1.051 65 H CA 1.374 57.518 56.048 0.159 0.000 1.280 65 H CB -0.341 29.415 29.762 -0.011 0.000 1.380 65 H HN 0.815 nan 8.280 nan 0.000 0.566 66 D N 1.206 121.406 120.400 -0.333 0.000 2.264 66 D HA -0.152 4.489 4.640 0.001 0.000 0.208 66 D C 1.796 178.037 176.300 -0.098 0.000 0.966 66 D CA 0.330 54.165 54.000 -0.275 0.000 0.864 66 D CB -0.247 40.449 40.800 -0.174 0.000 0.933 66 D HN 0.253 nan 8.370 nan 0.000 0.499 67 R N -0.669 119.798 120.500 -0.056 0.000 2.246 67 R HA 0.094 4.435 4.340 0.001 0.000 0.199 67 R C 1.805 177.554 176.300 -0.919 0.000 0.984 67 R CA 0.038 55.836 56.100 -0.503 0.000 1.015 67 R CB -0.445 29.449 30.300 -0.677 0.000 0.930 67 R HN 0.260 nan 8.270 nan 0.000 0.475 68 F N 0.051 119.729 119.950 -0.453 0.000 2.367 68 F HA 0.061 4.589 4.527 0.001 0.000 0.298 68 F C 2.443 178.031 175.800 -0.353 0.000 1.094 68 F CA 1.063 58.874 58.000 -0.315 0.000 1.409 68 F CB -0.638 38.336 39.000 -0.045 0.000 1.064 68 F HN 0.094 nan 8.300 nan 0.000 0.528 69 G N -0.004 108.616 108.800 -0.301 0.000 2.418 69 G HA2 -0.189 3.771 3.960 0.001 0.000 0.217 69 G HA3 -0.189 3.771 3.960 0.001 0.000 0.217 69 G C 2.075 176.535 174.900 -0.734 0.000 1.158 69 G CA 0.880 45.492 45.100 -0.813 0.000 0.771 69 G HN 0.479 nan 8.290 nan 0.000 0.545 70 G N 0.048 108.573 108.800 -0.459 0.000 2.446 70 G HA2 -0.215 3.746 3.960 0.001 0.000 0.217 70 G HA3 -0.215 3.746 3.960 0.001 0.000 0.217 70 G C 1.635 176.466 174.900 -0.115 0.000 1.168 70 G CA 1.123 46.051 45.100 -0.286 0.000 0.771 70 G HN 0.384 nan 8.290 nan 0.000 0.551 71 Y N 1.369 121.583 120.300 -0.143 0.000 2.181 71 Y HA 0.035 4.585 4.550 0.001 0.000 0.288 71 Y C 3.138 179.018 175.900 -0.033 0.000 1.146 71 Y CA 0.137 58.206 58.100 -0.051 0.000 1.164 71 Y CB -1.264 37.185 38.460 -0.018 0.000 0.982 71 Y HN 0.275 nan 8.280 nan 0.000 0.515 72 A N 0.043 122.904 122.820 0.068 0.000 1.858 72 A HA -0.292 4.028 4.320 0.001 0.000 0.216 72 A C 2.305 179.922 177.584 0.055 0.000 1.190 72 A CA 1.914 53.982 52.037 0.052 0.000 0.617 72 A CB -1.030 17.962 19.000 -0.013 0.000 0.827 72 A HN 0.530 nan 8.150 nan 0.000 0.443 73 Q N -0.309 119.470 119.800 -0.036 0.000 2.181 73 Q HA -0.148 4.193 4.340 0.001 0.000 0.205 73 Q C 1.627 177.660 176.000 0.055 0.000 0.980 73 Q CA 1.803 57.651 55.803 0.075 0.000 0.862 73 Q CB -0.172 28.593 28.738 0.045 0.000 0.905 73 Q HN 0.531 nan 8.270 nan 0.000 0.429 74 S N -0.891 114.832 115.700 0.037 0.000 2.603 74 S HA 0.163 4.634 4.470 0.001 0.000 0.220 74 S C 0.804 175.415 174.600 0.018 0.000 0.967 74 S CA 0.554 58.769 58.200 0.025 0.000 0.920 74 S CB 0.357 63.570 63.200 0.023 0.000 0.773 74 S HN 0.728 nan 8.310 nan 0.000 0.529 75 G N 1.300 110.125 108.800 0.042 0.000 2.160 75 G HA2 -0.222 3.738 3.960 0.001 0.000 0.244 75 G HA3 -0.222 3.738 3.960 0.001 0.000 0.244 75 G C 0.448 175.360 174.900 0.019 0.000 1.022 75 G CA 0.298 45.418 45.100 0.034 0.000 0.741 75 G HN 0.526 nan 8.290 nan 0.000 0.508 76 L N -1.153 120.095 121.223 0.042 0.000 2.585 76 L HA 0.426 4.767 4.340 0.001 0.000 0.226 76 L C 1.131 178.074 176.870 0.122 0.000 1.113 76 L CA 0.247 55.095 54.840 0.013 0.000 0.876 76 L CB 0.111 42.144 42.059 -0.044 0.000 1.072 76 L HN 0.196 nan 8.230 nan 0.000 0.468 77 L N 0.164 121.475 121.223 0.147 0.000 2.346 77 L HA 0.625 4.965 4.340 0.001 0.000 0.276 77 L C 0.122 177.059 176.870 0.113 0.000 1.006 77 L CA -0.602 54.338 54.840 0.168 0.000 0.817 77 L CB 1.986 44.179 42.059 0.222 0.000 1.272 77 L HN -0.098 nan 8.230 nan 0.000 0.421 78 A N 2.114 124.992 122.820 0.098 0.000 2.354 78 A HA 0.237 4.558 4.320 0.001 0.000 0.269 78 A C -0.003 177.621 177.584 0.067 0.000 1.109 78 A CA -0.306 51.774 52.037 0.071 0.000 0.800 78 A CB 0.428 19.465 19.000 0.062 0.000 1.045 78 A HN 0.787 nan 8.150 nan 0.000 0.489 79 E N 1.593 121.823 120.200 0.051 0.000 2.376 79 E HA 0.280 4.630 4.350 0.001 0.000 0.266 79 E C -0.207 176.398 176.600 0.009 0.000 1.009 79 E CA -0.212 56.207 56.400 0.032 0.000 0.902 79 E CB 0.247 29.962 29.700 0.025 0.000 0.972 79 E HN 0.569 nan 8.360 nan 0.000 0.439 80 I N 1.698 122.247 120.570 -0.036 0.000 2.440 80 I HA 0.352 4.522 4.170 0.001 0.000 0.294 80 I C 0.001 176.064 176.117 -0.091 0.000 0.995 80 I CA -0.522 60.723 61.300 -0.092 0.000 1.306 80 I CB 1.679 39.477 38.000 -0.337 0.000 1.407 80 I HN 0.381 nan 8.210 nan 0.000 0.501 81 T N 2.356 116.884 114.554 -0.044 0.000 3.504 81 T HA 0.501 4.852 4.350 0.001 0.000 0.286 81 T C -2.510 172.183 174.700 -0.013 0.000 1.530 81 T CA -1.376 60.702 62.100 -0.037 0.000 1.652 81 T CB 0.012 68.874 68.868 -0.010 0.000 0.895 81 T HN 0.528 nan 8.240 nan 0.000 0.674 82 P HA 0.357 nan 4.420 nan 0.000 0.278 82 P C -0.101 177.210 177.300 0.019 0.000 1.238 82 P CA -0.241 62.891 63.100 0.054 0.000 0.794 82 P CB 0.723 32.558 31.700 0.225 0.000 0.955 83 D N 0.726 121.168 120.400 0.070 0.000 2.369 83 D HA 0.031 4.671 4.640 0.001 0.000 0.241 83 D C 1.162 177.489 176.300 0.044 0.000 1.271 83 D CA -0.302 53.726 54.000 0.047 0.000 0.942 83 D CB 0.493 41.329 40.800 0.060 0.000 1.129 83 D HN 0.083 nan 8.370 nan 0.000 0.476 84 K N 0.085 120.492 120.400 0.011 0.000 2.057 84 K HA -0.092 4.228 4.320 0.001 0.000 0.207 84 K C 1.961 178.582 176.600 0.035 0.000 1.049 84 K CA 1.754 58.035 56.287 -0.010 0.000 0.931 84 K CB -0.865 31.626 32.500 -0.015 0.000 0.714 84 K HN 0.497 nan 8.250 nan 0.000 0.440 85 A N -0.140 122.722 122.820 0.070 0.000 1.908 85 A HA -0.170 4.151 4.320 0.001 0.000 0.218 85 A C 2.217 179.881 177.584 0.133 0.000 1.181 85 A CA 1.750 53.839 52.037 0.087 0.000 0.627 85 A CB -0.921 18.135 19.000 0.093 0.000 0.818 85 A HN 0.480 nan 8.150 nan 0.000 0.445 86 F N 0.348 120.338 119.950 0.068 0.000 2.206 86 F HA -0.093 4.434 4.527 0.001 0.000 0.298 86 F C 2.469 178.404 175.800 0.225 0.000 1.090 86 F CA 1.849 59.932 58.000 0.138 0.000 1.323 86 F CB -0.256 38.848 39.000 0.174 0.000 1.028 86 F HN 0.292 nan 8.300 nan 0.000 0.492 87 Q N -0.162 119.747 119.800 0.181 0.000 2.167 87 Q HA -0.193 4.147 4.340 0.001 0.000 0.202 87 Q C 1.561 177.644 176.000 0.139 0.000 0.970 87 Q CA 1.470 57.314 55.803 0.068 0.000 0.855 87 Q CB -0.207 28.314 28.738 -0.362 0.000 0.911 87 Q HN 0.373 nan 8.270 nan 0.000 0.438 88 D N 0.640 121.062 120.400 0.036 0.000 2.218 88 D HA -0.113 4.527 4.640 0.001 0.000 0.204 88 D C 1.362 177.638 176.300 -0.040 0.000 0.976 88 D CA 1.059 55.066 54.000 0.013 0.000 0.853 88 D CB 0.043 40.842 40.800 -0.001 0.000 0.939 88 D HN 0.177 nan 8.370 nan 0.000 0.481 89 K N -0.332 120.003 120.400 -0.109 0.000 2.211 89 K HA 0.023 4.344 4.320 0.001 0.000 0.203 89 K C 0.662 177.108 176.600 -0.255 0.000 1.050 89 K CA 0.505 56.667 56.287 -0.209 0.000 0.945 89 K CB 0.263 32.566 32.500 -0.328 0.000 0.732 89 K HN 0.157 nan 8.250 nan 0.000 0.451 90 L N 0.219 121.346 121.223 -0.160 0.000 2.330 90 L HA 0.327 4.668 4.340 0.001 0.000 0.271 90 L C -0.250 176.566 176.870 -0.090 0.000 1.013 90 L CA -1.390 53.322 54.840 -0.213 0.000 0.816 90 L CB 0.545 42.382 42.059 -0.370 0.000 1.287 90 L HN -0.112 nan 8.230 nan 0.000 0.435 91 Y N 1.378 121.668 120.300 -0.017 0.000 2.511 91 Y HA 0.050 4.601 4.550 0.001 0.000 0.332 91 Y C -1.392 174.605 175.900 0.161 0.000 1.177 91 Y CA -1.169 56.975 58.100 0.074 0.000 1.422 91 Y CB 0.065 38.565 38.460 0.068 0.000 1.271 91 Y HN 0.427 nan 8.280 nan 0.000 0.550 92 P HA -0.244 nan 4.420 nan 0.000 0.216 92 P C 1.619 179.108 177.300 0.316 0.000 1.150 92 P CA 1.454 64.776 63.100 0.370 0.000 0.843 92 P CB -0.061 31.797 31.700 0.263 0.000 0.787 93 F N 0.887 120.922 119.950 0.142 0.000 2.171 93 F HA -0.206 4.322 4.527 0.001 0.000 0.300 93 F C 2.075 177.885 175.800 0.016 0.000 1.090 93 F CA 2.098 60.135 58.000 0.060 0.000 1.293 93 F CB -0.926 38.080 39.000 0.009 0.000 1.013 93 F HN -0.037 nan 8.300 nan 0.000 0.486 94 T N -2.973 111.631 114.554 0.082 0.000 2.857 94 T HA -0.227 4.123 4.350 0.001 0.000 0.266 94 T C 1.823 176.387 174.700 -0.227 0.000 1.048 94 T CA 1.245 63.258 62.100 -0.145 0.000 1.139 94 T CB -1.264 67.528 68.868 -0.127 0.000 0.874 94 T HN 0.543 nan 8.240 nan 0.000 0.455 95 W N 2.038 123.318 121.300 -0.034 0.000 2.363 95 W HA 0.010 4.670 4.660 0.001 0.000 0.296 95 W C 2.197 178.658 176.519 -0.096 0.000 1.212 95 W CA 0.392 57.706 57.345 -0.051 0.000 1.260 95 W CB -0.221 29.233 29.460 -0.011 0.000 1.131 95 W HN 0.215 nan 8.180 nan 0.000 0.530 96 D N 0.173 120.629 120.400 0.093 0.000 2.133 96 D HA -0.207 4.433 4.640 0.001 0.000 0.195 96 D C 2.198 178.425 176.300 -0.121 0.000 0.997 96 D CA 1.942 55.922 54.000 -0.033 0.000 0.840 96 D CB -0.916 39.812 40.800 -0.120 0.000 0.947 96 D HN 0.124 nan 8.370 nan 0.000 0.452 97 A N 0.444 123.081 122.820 -0.305 0.000 1.972 97 A HA -0.112 4.209 4.320 0.001 0.000 0.219 97 A C 1.980 179.493 177.584 -0.119 0.000 1.169 97 A CA 1.560 53.359 52.037 -0.398 0.000 0.635 97 A CB -0.352 18.188 19.000 -0.768 0.000 0.810 97 A HN 0.249 nan 8.150 nan 0.000 0.446 98 V N -2.884 116.994 119.914 -0.061 0.000 3.170 98 V HA 0.431 4.551 4.120 0.001 0.000 0.354 98 V C 0.307 176.456 176.094 0.091 0.000 1.350 98 V CA -0.330 61.968 62.300 -0.003 0.000 1.244 98 V CB -0.966 30.812 31.823 -0.074 0.000 1.222 98 V HN 0.391 nan 8.190 nan 0.000 0.478 99 R N 0.763 121.333 120.500 0.116 0.000 2.387 99 R HA 0.567 4.908 4.340 0.001 0.000 0.314 99 R C -1.902 174.524 176.300 0.211 0.000 0.958 99 R CA -0.750 55.431 56.100 0.136 0.000 0.846 99 R CB 1.605 31.962 30.300 0.094 0.000 1.147 99 R HN 0.488 nan 8.270 nan 0.000 0.447 100 Y N 4.651 124.988 120.300 0.061 0.000 2.386 100 Y HA 0.219 4.770 4.550 0.001 0.000 0.334 100 Y C -0.728 175.203 175.900 0.051 0.000 1.002 100 Y CA -0.967 57.172 58.100 0.066 0.000 1.068 100 Y CB 1.376 39.883 38.460 0.077 0.000 1.203 100 Y HN 0.806 nan 8.280 nan 0.000 0.443 101 N N 4.224 122.621 118.700 -0.505 0.000 2.699 101 N HA -0.197 4.543 4.740 0.001 0.000 0.256 101 N C 0.904 176.341 175.510 -0.121 0.000 0.993 101 N CA 1.799 54.641 53.050 -0.347 0.000 0.759 101 N CB -1.092 37.152 38.487 -0.405 0.000 0.906 101 N HN 1.380 nan 8.380 nan 0.000 0.541 102 G N -1.542 107.217 108.800 -0.069 0.000 2.155 102 G HA2 -0.364 3.596 3.960 0.001 0.000 0.257 102 G HA3 -0.364 3.596 3.960 0.001 0.000 0.257 102 G C 0.032 174.928 174.900 -0.007 0.000 0.983 102 G CA 1.010 46.092 45.100 -0.030 0.000 0.676 102 G HN 0.581 nan 8.290 nan 0.000 0.528 103 K N -0.603 119.809 120.400 0.021 0.000 2.318 103 K HA 0.659 4.979 4.320 0.001 0.000 0.249 103 K C 0.087 176.722 176.600 0.059 0.000 0.942 103 K CA -0.992 55.317 56.287 0.036 0.000 0.808 103 K CB 1.854 34.391 32.500 0.062 0.000 1.189 103 K HN 0.083 nan 8.250 nan 0.000 0.428 104 L N 4.598 125.835 121.223 0.023 0.000 2.313 104 L HA 0.287 4.628 4.340 0.001 0.000 0.282 104 L C 1.093 177.982 176.870 0.032 0.000 1.092 104 L CA -0.003 54.856 54.840 0.032 0.000 0.831 104 L CB 0.313 42.354 42.059 -0.031 0.000 1.159 104 L HN 0.708 nan 8.230 nan 0.000 0.442 105 I N 0.092 120.698 120.570 0.061 0.000 4.154 105 I HA 0.621 4.791 4.170 0.001 0.000 0.334 105 I C 0.322 176.455 176.117 0.025 0.000 1.371 105 I CA -0.169 61.179 61.300 0.080 0.000 1.110 105 I CB 0.577 38.676 38.000 0.166 0.000 1.085 105 I HN 0.511 nan 8.210 nan 0.000 0.398 106 A N 0.255 123.024 122.820 -0.085 0.000 2.597 106 A HA 0.643 4.964 4.320 0.001 0.000 0.292 106 A C -2.032 175.433 177.584 -0.199 0.000 1.057 106 A CA -0.426 51.491 52.037 -0.200 0.000 0.674 106 A CB 0.590 19.267 19.000 -0.538 0.000 1.278 106 A HN 0.175 nan 8.150 nan 0.000 0.416 107 Y N 1.658 121.901 120.300 -0.094 0.000 2.336 107 Y HA 0.434 4.985 4.550 0.001 0.000 0.335 107 Y C -1.901 173.849 175.900 -0.250 0.000 1.046 107 Y CA -1.638 56.412 58.100 -0.083 0.000 1.198 107 Y CB 1.013 39.466 38.460 -0.011 0.000 1.182 107 Y HN 0.411 nan 8.280 nan 0.000 0.502 108 P HA 0.116 nan 4.420 nan 0.000 0.280 108 P C -0.075 177.141 177.300 -0.140 0.000 1.244 108 P CA 0.032 62.972 63.100 -0.265 0.000 0.784 108 P CB 1.704 33.139 31.700 -0.442 0.000 0.913 109 I N 1.028 121.576 120.570 -0.037 0.000 3.366 109 I HA 0.356 4.526 4.170 0.001 0.000 0.267 109 I C 1.049 177.207 176.117 0.069 0.000 1.149 109 I CA 0.222 61.554 61.300 0.055 0.000 1.436 109 I CB -1.000 37.099 38.000 0.164 0.000 1.379 109 I HN 0.344 nan 8.210 nan 0.000 0.460 110 A N 0.562 123.429 122.820 0.078 0.000 2.594 110 A HA 0.656 4.977 4.320 0.001 0.000 0.295 110 A C -1.193 176.455 177.584 0.107 0.000 1.071 110 A CA -0.381 51.716 52.037 0.100 0.000 0.685 110 A CB 1.515 20.584 19.000 0.116 0.000 1.285 110 A HN -0.149 nan 8.150 nan 0.000 0.405 111 V N 1.878 121.862 119.914 0.117 0.000 2.432 111 V HA 0.375 4.495 4.120 0.001 0.000 0.275 111 V C 0.034 176.212 176.094 0.140 0.000 1.043 111 V CA -0.078 62.307 62.300 0.142 0.000 0.925 111 V CB 0.951 32.847 31.823 0.122 0.000 0.985 111 V HN 0.882 nan 8.190 nan 0.000 0.466 112 E N 3.079 123.394 120.200 0.191 0.000 2.212 112 E HA 0.846 5.196 4.350 0.001 0.000 0.268 112 E C -0.576 176.167 176.600 0.238 0.000 0.902 112 E CA -0.744 55.790 56.400 0.224 0.000 0.779 112 E CB 2.394 32.298 29.700 0.340 0.000 1.172 112 E HN 0.821 nan 8.360 nan 0.000 0.409 113 A N 2.485 125.405 122.820 0.167 0.000 2.566 113 A HA 0.432 4.752 4.320 0.001 0.000 0.297 113 A C -1.202 176.402 177.584 0.034 0.000 1.059 113 A CA -0.749 51.371 52.037 0.138 0.000 0.691 113 A CB 0.768 19.832 19.000 0.107 0.000 1.282 113 A HN 0.533 nan 8.150 nan 0.000 0.401 114 L N 1.429 122.643 121.223 -0.014 0.000 2.439 114 L HA 0.501 4.841 4.340 0.001 0.000 0.269 114 L C 0.660 177.511 176.870 -0.031 0.000 1.179 114 L CA 0.167 54.961 54.840 -0.076 0.000 0.828 114 L CB 1.252 43.218 42.059 -0.155 0.000 1.106 114 L HN 0.731 nan 8.230 nan 0.000 0.467 115 S N 1.419 117.109 115.700 -0.017 0.000 2.667 115 S HA 0.528 4.998 4.470 0.001 0.000 0.292 115 S C -1.078 173.511 174.600 -0.020 0.000 1.126 115 S CA -0.645 57.562 58.200 0.011 0.000 0.881 115 S CB 1.955 65.206 63.200 0.084 0.000 1.132 115 S HN 0.360 nan 8.310 nan 0.000 0.492 116 L N 2.520 123.725 121.223 -0.031 0.000 2.313 116 L HA 0.512 4.853 4.340 0.001 0.000 0.282 116 L C -1.167 175.723 176.870 0.033 0.000 1.092 116 L CA 0.386 55.192 54.840 -0.056 0.000 0.831 116 L CB -0.354 41.645 42.059 -0.101 0.000 1.159 116 L HN 0.499 nan 8.230 nan 0.000 0.442 117 I N 6.533 127.079 120.570 -0.040 0.000 2.377 117 I HA 0.373 4.544 4.170 0.001 0.000 0.293 117 I C -0.963 175.162 176.117 0.013 0.000 0.987 117 I CA -0.782 60.478 61.300 -0.067 0.000 1.185 117 I CB 1.179 38.976 38.000 -0.339 0.000 1.341 117 I HN 0.634 nan 8.210 nan 0.000 0.455 118 Y N 4.140 124.520 120.300 0.134 0.000 2.534 118 Y HA 0.487 5.037 4.550 0.001 0.000 0.345 118 Y C -0.844 175.325 175.900 0.448 0.000 1.031 118 Y CA -1.418 56.865 58.100 0.306 0.000 1.022 118 Y CB 0.924 39.454 38.460 0.117 0.000 1.292 118 Y HN 0.451 nan 8.280 nan 0.000 0.459 119 N N 3.339 122.281 118.700 0.403 0.000 2.401 119 N HA 0.110 4.850 4.740 0.001 0.000 0.255 119 N C 0.246 175.821 175.510 0.109 0.000 1.110 119 N CA 0.095 53.189 53.050 0.072 0.000 0.949 119 N CB 1.045 39.458 38.487 -0.124 0.000 1.110 119 N HN 0.925 nan 8.380 nan 0.000 0.490 120 K N 2.016 122.401 120.400 -0.024 0.000 2.148 120 K HA -0.093 4.227 4.320 0.001 0.000 0.204 120 K C 0.505 177.140 176.600 0.059 0.000 1.050 120 K CA 1.051 57.373 56.287 0.059 0.000 0.942 120 K CB 0.339 32.807 32.500 -0.053 0.000 0.724 120 K HN 0.511 nan 8.250 nan 0.000 0.446 121 D N 0.965 121.370 120.400 0.009 0.000 2.103 121 D HA -0.091 4.549 4.640 0.001 0.000 0.199 121 D C 1.912 178.220 176.300 0.013 0.000 0.978 121 D CA 0.983 54.983 54.000 0.000 0.000 0.829 121 D CB -0.130 40.655 40.800 -0.025 0.000 0.981 121 D HN 0.100 nan 8.370 nan 0.000 0.464 122 L N -0.495 120.736 121.223 0.013 0.000 2.217 122 L HA -0.010 4.331 4.340 0.001 0.000 0.211 122 L C 0.565 177.465 176.870 0.051 0.000 1.107 122 L CA 0.410 55.263 54.840 0.022 0.000 0.783 122 L CB 0.226 42.290 42.059 0.009 0.000 0.919 122 L HN -0.001 nan 8.230 nan 0.000 0.442 123 L N -0.541 120.740 121.223 0.097 0.000 2.549 123 L HA 0.345 4.686 4.340 0.001 0.000 0.260 123 L C -2.269 174.697 176.870 0.159 0.000 1.109 123 L CA -1.194 53.710 54.840 0.107 0.000 0.900 123 L CB 1.106 43.238 42.059 0.122 0.000 1.119 123 L HN -0.259 nan 8.230 nan 0.000 0.471 124 P HA 0.028 nan 4.420 nan 0.000 0.219 124 P C -0.347 176.985 177.300 0.054 0.000 1.150 124 P CA 0.998 64.165 63.100 0.112 0.000 0.814 124 P CB 0.192 31.922 31.700 0.050 0.000 0.787 125 N N 0.451 119.131 118.700 -0.033 0.000 2.558 125 N HA 0.219 4.960 4.740 0.001 0.000 0.242 125 N C -2.562 172.822 175.510 -0.210 0.000 0.979 125 N CA -1.758 51.220 53.050 -0.120 0.000 0.931 125 N CB 0.599 39.040 38.487 -0.078 0.000 1.122 125 N HN 0.103 nan 8.380 nan 0.000 0.508 126 P HA 0.217 nan 4.420 nan 0.000 0.275 126 P C -2.676 174.453 177.300 -0.285 0.000 1.228 126 P CA -1.197 61.630 63.100 -0.455 0.000 0.786 126 P CB 0.266 31.423 31.700 -0.905 0.000 0.927 127 P HA 0.140 nan 4.420 nan 0.000 0.271 127 P C 0.427 177.616 177.300 -0.184 0.000 1.216 127 P CA -0.113 62.888 63.100 -0.165 0.000 0.771 127 P CB 0.894 32.512 31.700 -0.138 0.000 0.864 128 K N 0.454 120.772 120.400 -0.137 0.000 2.361 128 K HA 0.073 4.394 4.320 0.001 0.000 0.196 128 K C 1.033 177.571 176.600 -0.103 0.000 1.039 128 K CA 0.834 57.048 56.287 -0.121 0.000 1.001 128 K CB -0.096 32.352 32.500 -0.088 0.000 0.795 128 K HN 0.652 nan 8.250 nan 0.000 0.495 129 T N -4.209 110.293 114.554 -0.087 0.000 2.893 129 T HA 0.287 4.638 4.350 0.001 0.000 0.291 129 T C 0.514 175.207 174.700 -0.013 0.000 1.028 129 T CA -0.894 61.191 62.100 -0.026 0.000 0.995 129 T CB 1.121 69.994 68.868 0.008 0.000 1.051 129 T HN 0.110 nan 8.240 nan 0.000 0.470 130 W N 0.919 122.198 121.300 -0.034 0.000 2.363 130 W HA 0.056 4.717 4.660 0.001 0.000 0.296 130 W C 2.145 178.733 176.519 0.116 0.000 1.212 130 W CA 1.032 58.367 57.345 -0.016 0.000 1.260 130 W CB -0.166 29.152 29.460 -0.235 0.000 1.131 130 W HN 0.828 nan 8.180 nan 0.000 0.530 131 E N 0.138 120.502 120.200 0.274 0.000 2.209 131 E HA -0.209 4.141 4.350 0.001 0.000 0.196 131 E C 1.642 178.400 176.600 0.263 0.000 0.993 131 E CA 1.453 58.059 56.400 0.343 0.000 0.819 131 E CB -0.319 29.484 29.700 0.173 0.000 0.745 131 E HN 0.367 nan 8.360 nan 0.000 0.477 132 E N 0.131 120.421 120.200 0.150 0.000 2.153 132 E HA -0.162 4.188 4.350 0.001 0.000 0.194 132 E C 1.934 178.572 176.600 0.063 0.000 0.988 132 E CA 0.732 57.176 56.400 0.073 0.000 0.811 132 E CB -0.118 29.589 29.700 0.011 0.000 0.746 132 E HN 0.324 nan 8.360 nan 0.000 0.466 133 I N 1.027 121.663 120.570 0.110 0.000 2.208 133 I HA -0.215 3.956 4.170 0.001 0.000 0.245 133 I C -0.814 175.261 176.117 -0.071 0.000 1.097 133 I CA 1.030 62.360 61.300 0.050 0.000 1.363 133 I CB -1.191 36.892 38.000 0.138 0.000 1.051 133 I HN 0.086 nan 8.210 nan 0.000 0.413 134 P HA -0.166 nan 4.420 nan 0.000 0.216 134 P C 1.405 178.506 177.300 -0.332 0.000 1.150 134 P CA 1.747 64.509 63.100 -0.563 0.000 0.837 134 P CB -0.006 31.494 31.700 -0.333 0.000 0.786 135 A N -0.840 121.913 122.820 -0.112 0.000 1.897 135 A HA -0.120 4.200 4.320 0.001 0.000 0.215 135 A C 2.113 179.675 177.584 -0.037 0.000 1.181 135 A CA 1.141 53.152 52.037 -0.043 0.000 0.620 135 A CB -1.593 17.404 19.000 -0.005 0.000 0.821 135 A HN 0.137 nan 8.150 nan 0.000 0.443 136 L N 0.259 121.458 121.223 -0.039 0.000 2.083 136 L HA -0.147 4.193 4.340 0.001 0.000 0.209 136 L C 1.908 178.770 176.870 -0.014 0.000 1.083 136 L CA 2.528 57.355 54.840 -0.022 0.000 0.752 136 L CB -0.511 41.536 42.059 -0.021 0.000 0.899 136 L HN 0.508 nan 8.230 nan 0.000 0.433 137 D N -0.855 119.520 120.400 -0.043 0.000 2.117 137 D HA -0.212 4.429 4.640 0.001 0.000 0.197 137 D C 2.164 178.494 176.300 0.050 0.000 0.987 137 D CA 1.318 55.323 54.000 0.007 0.000 0.829 137 D CB 0.073 40.866 40.800 -0.012 0.000 0.961 137 D HN 0.228 nan 8.370 nan 0.000 0.460 138 K N 0.053 120.476 120.400 0.038 0.000 2.032 138 K HA -0.187 4.133 4.320 0.001 0.000 0.209 138 K C 2.187 178.813 176.600 0.043 0.000 1.048 138 K CA 1.451 57.778 56.287 0.066 0.000 0.927 138 K CB -0.105 32.431 32.500 0.059 0.000 0.712 138 K HN 0.329 nan 8.250 nan 0.000 0.441 139 E N 0.643 120.859 120.200 0.026 0.000 2.058 139 E HA -0.204 4.146 4.350 0.001 0.000 0.194 139 E C 2.115 178.729 176.600 0.024 0.000 0.997 139 E CA 1.182 57.594 56.400 0.021 0.000 0.801 139 E CB -0.137 29.570 29.700 0.013 0.000 0.746 139 E HN 0.232 nan 8.360 nan 0.000 0.450 140 L N 0.874 122.114 121.223 0.028 0.000 2.141 140 L HA -0.157 4.184 4.340 0.001 0.000 0.209 140 L C 2.389 179.280 176.870 0.035 0.000 1.094 140 L CA 0.776 55.634 54.840 0.031 0.000 0.763 140 L CB -0.242 41.839 42.059 0.037 0.000 0.908 140 L HN -0.009 nan 8.230 nan 0.000 0.437 141 K N 0.268 120.696 120.400 0.045 0.000 2.097 141 K HA -0.106 4.214 4.320 0.001 0.000 0.206 141 K C 2.194 178.813 176.600 0.031 0.000 1.049 141 K CA 1.414 57.728 56.287 0.045 0.000 0.933 141 K CB -0.433 32.104 32.500 0.061 0.000 0.717 141 K HN 0.285 nan 8.250 nan 0.000 0.442 142 A N 2.277 125.114 122.820 0.029 0.000 1.978 142 A HA -0.186 4.134 4.320 0.001 0.000 0.220 142 A C 1.538 179.131 177.584 0.016 0.000 1.170 142 A CA 1.692 53.741 52.037 0.021 0.000 0.636 142 A CB -0.325 18.686 19.000 0.019 0.000 0.810 142 A HN 0.456 nan 8.150 nan 0.000 0.448 143 K N -1.620 118.789 120.400 0.016 0.000 2.814 143 K HA 0.447 4.768 4.320 0.001 0.000 0.213 143 K C 0.580 177.186 176.600 0.010 0.000 1.113 143 K CA 0.158 56.451 56.287 0.011 0.000 1.145 143 K CB -0.450 32.055 32.500 0.008 0.000 0.948 143 K HN 0.690 nan 8.250 nan 0.000 0.464 144 G N 1.552 110.360 108.800 0.013 0.000 2.221 144 G HA2 -0.246 3.715 3.960 0.001 0.000 0.265 144 G HA3 -0.246 3.715 3.960 0.001 0.000 0.265 144 G C -0.482 174.426 174.900 0.014 0.000 1.041 144 G CA 0.218 45.325 45.100 0.012 0.000 0.807 144 G HN 0.354 nan 8.290 nan 0.000 0.502 145 K N -0.675 119.738 120.400 0.021 0.000 2.439 145 K HA 0.802 5.123 4.320 0.001 0.000 0.260 145 K C 0.093 176.718 176.600 0.042 0.000 1.032 145 K CA -0.069 56.233 56.287 0.025 0.000 0.882 145 K CB 1.780 34.292 32.500 0.020 0.000 1.420 145 K HN 0.656 nan 8.250 nan 0.000 0.455 146 S N -1.413 114.319 115.700 0.053 0.000 2.600 146 S HA 0.653 5.124 4.470 0.001 0.000 0.300 146 S C 0.634 175.285 174.600 0.086 0.000 1.087 146 S CA -0.259 57.986 58.200 0.076 0.000 0.965 146 S CB 1.905 65.154 63.200 0.082 0.000 1.089 146 S HN 0.583 nan 8.310 nan 0.000 0.496 147 A N 0.806 123.682 122.820 0.093 0.000 1.855 147 A HA 0.441 4.761 4.320 0.001 0.000 0.213 147 A C 0.521 178.175 177.584 0.117 0.000 1.195 147 A CA 0.919 53.007 52.037 0.085 0.000 0.610 147 A CB -0.597 18.436 19.000 0.055 0.000 0.837 147 A HN 0.957 nan 8.150 nan 0.000 0.444 148 L N -1.020 120.291 121.223 0.147 0.000 2.431 148 L HA 0.717 5.057 4.340 0.001 0.000 0.266 148 L C -1.180 175.826 176.870 0.227 0.000 0.978 148 L CA -0.200 54.757 54.840 0.195 0.000 0.822 148 L CB 1.845 44.030 42.059 0.210 0.000 1.310 148 L HN 0.347 nan 8.230 nan 0.000 0.409 149 M N 5.915 125.662 119.600 0.245 0.000 2.326 149 M HA 0.600 5.080 4.480 0.001 0.000 0.292 149 M C -1.514 174.944 176.300 0.263 0.000 1.081 149 M CA -0.432 54.978 55.300 0.184 0.000 0.919 149 M CB 2.063 34.726 32.600 0.105 0.000 1.634 149 M HN 0.600 nan 8.290 nan 0.000 0.451 150 F N 0.188 120.142 119.950 0.007 0.000 2.779 150 F HA 0.569 5.096 4.527 0.001 0.000 0.316 150 F C -0.868 174.862 175.800 -0.117 0.000 1.164 150 F CA -1.340 56.623 58.000 -0.062 0.000 0.924 150 F CB 0.816 39.843 39.000 0.045 0.000 1.348 150 F HN 0.438 nan 8.300 nan 0.000 0.467 151 N N 1.632 120.190 118.700 -0.237 0.000 2.416 151 N HA 0.171 4.912 4.740 0.001 0.000 0.271 151 N C 0.111 175.489 175.510 -0.220 0.000 1.245 151 N CA 0.094 52.919 53.050 -0.375 0.000 0.940 151 N CB 0.341 38.355 38.487 -0.789 0.000 1.175 151 N HN 0.780 nan 8.380 nan 0.000 0.483 152 L N 2.129 123.211 121.223 -0.234 0.000 2.607 152 L HA 0.113 4.454 4.340 0.001 0.000 0.228 152 L C 1.378 178.243 176.870 -0.009 0.000 1.123 152 L CA 0.091 54.842 54.840 -0.149 0.000 0.890 152 L CB 0.078 41.999 42.059 -0.230 0.000 1.103 152 L HN 0.442 nan 8.230 nan 0.000 0.468 153 Q N -0.187 119.619 119.800 0.009 0.000 2.398 153 Q HA 0.148 4.489 4.340 0.001 0.000 0.204 153 Q C 0.193 176.259 176.000 0.111 0.000 0.932 153 Q CA 0.620 56.449 55.803 0.044 0.000 0.916 153 Q CB 0.627 29.381 28.738 0.025 0.000 1.024 153 Q HN 0.311 nan 8.270 nan 0.000 0.504 154 E N 1.359 121.684 120.200 0.209 0.000 2.165 154 E HA 0.183 4.533 4.350 0.001 0.000 0.266 154 E C -1.850 175.011 176.600 0.435 0.000 0.889 154 E CA -2.022 54.562 56.400 0.306 0.000 0.756 154 E CB 2.088 32.031 29.700 0.404 0.000 1.131 154 E HN -0.118 nan 8.360 nan 0.000 0.411 155 P HA -0.196 nan 4.420 nan 0.000 0.219 155 P C 1.371 179.052 177.300 0.634 0.000 1.146 155 P CA 0.890 64.275 63.100 0.474 0.000 0.808 155 P CB 0.149 32.136 31.700 0.478 0.000 0.779 156 Y N 0.471 120.944 120.300 0.289 0.000 2.132 156 Y HA -0.251 4.300 4.550 0.001 0.000 0.280 156 Y C 1.960 178.012 175.900 0.253 0.000 1.193 156 Y CA 1.823 60.026 58.100 0.172 0.000 1.157 156 Y CB -1.090 37.245 38.460 -0.208 0.000 0.966 156 Y HN -0.184 nan 8.280 nan 0.000 0.511 157 F N -1.251 118.946 119.950 0.412 0.000 2.473 157 F HA -0.030 4.498 4.527 0.001 0.000 0.294 157 F C 2.482 178.526 175.800 0.407 0.000 1.103 157 F CA 1.331 59.556 58.000 0.375 0.000 1.442 157 F CB -0.612 38.723 39.000 0.559 0.000 1.097 157 F HN 0.083 nan 8.300 nan 0.000 0.547 158 T N -3.523 111.398 114.554 0.611 0.000 3.051 158 T HA -0.144 4.206 4.350 0.001 0.000 0.255 158 T C 1.896 176.766 174.700 0.283 0.000 1.085 158 T CA -0.006 62.364 62.100 0.449 0.000 1.109 158 T CB -0.734 68.352 68.868 0.364 0.000 0.921 158 T HN 0.494 nan 8.240 nan 0.000 0.488 159 W N 3.011 124.429 121.300 0.196 0.000 2.321 159 W HA -0.083 4.577 4.660 0.001 0.000 0.306 159 W C -1.685 174.836 176.519 0.003 0.000 1.217 159 W CA 1.235 58.663 57.345 0.137 0.000 1.257 159 W CB -1.110 28.536 29.460 0.310 0.000 1.145 159 W HN 0.291 nan 8.180 nan 0.000 0.509 160 P HA -0.224 nan 4.420 nan 0.000 0.216 160 P C 1.785 178.948 177.300 -0.229 0.000 1.150 160 P CA 1.637 64.664 63.100 -0.122 0.000 0.843 160 P CB -0.473 31.234 31.700 0.011 0.000 0.787 161 L N -0.990 120.075 121.223 -0.264 0.000 2.072 161 L HA -0.046 4.295 4.340 0.001 0.000 0.205 161 L C 2.168 178.694 176.870 -0.572 0.000 1.079 161 L CA 1.590 56.108 54.840 -0.538 0.000 0.752 161 L CB -1.142 40.405 42.059 -0.853 0.000 0.906 161 L HN -0.140 nan 8.230 nan 0.000 0.436 162 I N -0.301 119.952 120.570 -0.530 0.000 2.226 162 I HA -0.249 3.921 4.170 0.001 0.000 0.245 162 I C 2.479 178.181 176.117 -0.691 0.000 1.100 162 I CA 1.171 62.129 61.300 -0.570 0.000 1.374 162 I CB -0.562 37.114 38.000 -0.540 0.000 1.057 162 I HN 0.334 nan 8.210 nan 0.000 0.413 163 A N 0.583 122.832 122.820 -0.950 0.000 2.014 163 A HA -0.001 4.320 4.320 0.001 0.000 0.218 163 A C 2.535 179.929 177.584 -0.317 0.000 1.163 163 A CA 1.277 52.869 52.037 -0.740 0.000 0.652 163 A CB -0.602 17.882 19.000 -0.860 0.000 0.808 163 A HN 0.400 nan 8.150 nan 0.000 0.449 164 A N 0.200 122.873 122.820 -0.244 0.000 1.884 164 A HA -0.260 4.060 4.320 0.001 0.000 0.219 164 A C 1.766 179.351 177.584 0.001 0.000 1.197 164 A CA 2.231 54.230 52.037 -0.064 0.000 0.637 164 A CB -0.553 18.468 19.000 0.034 0.000 0.827 164 A HN 0.448 nan 8.150 nan 0.000 0.450 165 D N -2.695 117.732 120.400 0.044 0.000 2.342 165 D HA 0.347 4.988 4.640 0.001 0.000 0.221 165 D C 0.853 177.159 176.300 0.010 0.000 1.101 165 D CA 1.030 55.053 54.000 0.039 0.000 0.837 165 D CB 0.045 40.910 40.800 0.109 0.000 0.938 165 D HN 0.541 nan 8.370 nan 0.000 0.508 166 G N -1.172 107.623 108.800 -0.009 0.000 2.370 166 G HA2 -0.046 3.915 3.960 0.001 0.000 0.174 166 G HA3 -0.046 3.915 3.960 0.001 0.000 0.174 166 G C 0.666 175.609 174.900 0.071 0.000 1.002 166 G CA -0.271 44.857 45.100 0.047 0.000 0.730 166 G HN 0.488 nan 8.290 nan 0.000 0.497 167 G N 0.266 109.012 108.800 -0.091 0.000 2.491 167 G HA2 0.661 4.622 3.960 0.001 0.000 0.242 167 G HA3 0.661 4.622 3.960 0.001 0.000 0.242 167 G C -0.265 174.664 174.900 0.050 0.000 1.266 167 G CA 0.522 45.510 45.100 -0.186 0.000 0.844 167 G HN 1.513 nan 8.290 nan 0.000 0.571 168 Y N -1.766 118.662 120.300 0.214 0.000 2.638 168 Y HA 0.712 5.263 4.550 0.001 0.000 0.335 168 Y C 0.608 176.731 175.900 0.371 0.000 1.155 168 Y CA -0.762 57.564 58.100 0.378 0.000 1.046 168 Y CB 0.806 39.383 38.460 0.196 0.000 1.303 168 Y HN 0.668 nan 8.280 nan 0.000 0.460 169 A N 1.112 124.096 122.820 0.272 0.000 1.878 169 A HA 0.457 4.777 4.320 0.001 0.000 0.215 169 A C -0.483 176.716 177.584 -0.643 0.000 1.310 169 A CA 0.952 52.613 52.037 -0.627 0.000 0.612 169 A CB -0.316 18.015 19.000 -1.114 0.000 0.989 169 A HN 0.562 nan 8.150 nan 0.000 0.472 170 F N -0.802 119.241 119.950 0.156 0.000 2.556 170 F HA 0.448 4.976 4.527 0.001 0.000 0.314 170 F C -0.019 176.068 175.800 0.478 0.000 1.106 170 F CA -0.847 57.329 58.000 0.292 0.000 0.911 170 F CB 1.839 40.894 39.000 0.092 0.000 1.190 170 F HN 0.060 nan 8.300 nan 0.000 0.448 171 K N 2.426 123.154 120.400 0.547 0.000 2.379 171 K HA 0.100 4.421 4.320 0.001 0.000 0.284 171 K C -1.235 175.515 176.600 0.251 0.000 1.044 171 K CA -0.197 56.221 56.287 0.220 0.000 0.974 171 K CB 0.361 32.912 32.500 0.085 0.000 0.962 171 K HN 0.680 nan 8.250 nan 0.000 0.474 172 Y N 3.749 124.044 120.300 -0.008 0.000 2.436 172 Y HA 0.137 4.688 4.550 0.001 0.000 0.343 172 Y C -0.559 175.252 175.900 -0.149 0.000 1.008 172 Y CA 0.255 58.196 58.100 -0.264 0.000 1.241 172 Y CB 0.676 38.878 38.460 -0.429 0.000 1.153 172 Y HN 0.651 nan 8.280 nan 0.000 0.521 173 E N 4.856 124.788 120.200 -0.446 0.000 2.311 173 E HA 0.220 4.571 4.350 0.001 0.000 0.281 173 E C -0.971 175.438 176.600 -0.318 0.000 0.905 173 E CA -0.622 55.625 56.400 -0.255 0.000 0.778 173 E CB 0.684 30.317 29.700 -0.112 0.000 1.240 173 E HN 0.752 nan 8.360 nan 0.000 0.410 174 N N 2.599 121.166 118.700 -0.221 0.000 2.740 174 N HA -0.209 4.532 4.740 0.001 0.000 0.248 174 N C 0.455 175.819 175.510 -0.243 0.000 1.062 174 N CA 1.486 54.431 53.050 -0.173 0.000 0.704 174 N CB -1.370 37.045 38.487 -0.119 0.000 0.968 174 N HN 0.989 nan 8.380 nan 0.000 0.547 175 G N -0.932 107.656 108.800 -0.353 0.000 2.155 175 G HA2 -0.363 3.598 3.960 0.001 0.000 0.257 175 G HA3 -0.363 3.598 3.960 0.001 0.000 0.257 175 G C 0.026 174.623 174.900 -0.505 0.000 0.983 175 G CA 1.392 46.305 45.100 -0.312 0.000 0.676 175 G HN 0.969 nan 8.290 nan 0.000 0.528 176 K N -1.866 118.029 120.400 -0.842 0.000 2.548 176 K HA 0.686 5.007 4.320 0.001 0.000 0.282 176 K C -0.993 175.203 176.600 -0.674 0.000 1.006 176 K CA -1.400 54.531 56.287 -0.593 0.000 0.892 176 K CB 1.062 33.424 32.500 -0.230 0.000 1.499 176 K HN -0.006 nan 8.250 nan 0.000 0.433 177 Y N 0.894 121.093 120.300 -0.167 0.000 2.316 177 Y HA 0.160 4.711 4.550 0.001 0.000 0.331 177 Y C -0.070 175.806 175.900 -0.040 0.000 1.083 177 Y CA -0.013 58.076 58.100 -0.020 0.000 1.206 177 Y CB 1.127 39.623 38.460 0.061 0.000 1.195 177 Y HN 0.624 nan 8.280 nan 0.000 0.497 178 D N 4.509 125.023 120.400 0.189 0.000 2.365 178 D HA 0.061 4.702 4.640 0.001 0.000 0.237 178 D C 0.961 177.397 176.300 0.225 0.000 1.190 178 D CA -0.177 53.914 54.000 0.151 0.000 0.867 178 D CB 0.501 41.385 40.800 0.141 0.000 1.050 178 D HN 0.644 nan 8.370 nan 0.000 0.491 179 I N 0.845 121.463 120.570 0.080 0.000 3.001 179 I HA -0.027 4.143 4.170 0.001 0.000 0.268 179 I C 1.079 177.341 176.117 0.241 0.000 1.267 179 I CA 0.401 61.693 61.300 -0.014 0.000 1.472 179 I CB 0.087 37.983 38.000 -0.175 0.000 1.089 179 I HN -0.002 nan 8.210 nan 0.000 0.468 180 K N 0.641 121.170 120.400 0.215 0.000 2.352 180 K HA 0.117 4.438 4.320 0.001 0.000 0.194 180 K C 0.118 176.858 176.600 0.233 0.000 1.038 180 K CA 0.294 56.704 56.287 0.204 0.000 1.023 180 K CB -0.119 32.460 32.500 0.132 0.000 0.840 180 K HN 0.271 nan 8.250 nan 0.000 0.519 181 D N 1.891 122.460 120.400 0.282 0.000 2.453 181 D HA 0.100 4.741 4.640 0.001 0.000 0.223 181 D C -0.993 175.513 176.300 0.344 0.000 1.183 181 D CA -0.220 53.955 54.000 0.292 0.000 0.933 181 D CB 0.290 41.261 40.800 0.285 0.000 1.038 181 D HN -0.279 nan 8.370 nan 0.000 0.513 182 V N 2.538 122.547 119.914 0.158 0.000 2.417 182 V HA 0.567 4.688 4.120 0.001 0.000 0.291 182 V C 1.292 177.220 176.094 -0.276 0.000 1.024 182 V CA -0.927 61.315 62.300 -0.097 0.000 0.861 182 V CB 1.857 33.604 31.823 -0.127 0.000 0.985 182 V HN 0.549 nan 8.190 nan 0.000 0.436 183 G N 2.230 110.552 108.800 -0.796 0.000 3.949 183 G HA2 0.310 4.271 3.960 0.001 0.000 0.295 183 G HA3 0.310 4.271 3.960 0.001 0.000 0.295 183 G C 0.786 175.374 174.900 -0.520 0.000 1.286 183 G CA 0.482 44.754 45.100 -1.381 0.000 1.171 183 G HN 0.845 nan 8.290 nan 0.000 0.586 184 V N -2.286 117.516 119.914 -0.186 0.000 3.354 184 V HA 0.132 4.253 4.120 0.001 0.000 0.258 184 V C 1.144 177.221 176.094 -0.028 0.000 1.159 184 V CA 1.130 63.441 62.300 0.019 0.000 1.125 184 V CB 0.428 32.308 31.823 0.094 0.000 0.774 184 V HN 0.307 nan 8.190 nan 0.000 0.464 185 D N 0.979 121.342 120.400 -0.061 0.000 2.501 185 D HA 0.094 4.734 4.640 0.001 0.000 0.224 185 D C 0.275 176.562 176.300 -0.023 0.000 1.202 185 D CA -0.243 53.742 54.000 -0.026 0.000 0.829 185 D CB -0.626 40.172 40.800 -0.003 0.000 1.023 185 D HN 0.671 nan 8.370 nan 0.000 0.499 186 N N 0.047 118.720 118.700 -0.045 0.000 2.434 186 N HA 0.369 5.109 4.740 0.001 0.000 0.266 186 N C 1.304 176.814 175.510 -0.001 0.000 1.223 186 N CA -0.122 52.922 53.050 -0.009 0.000 0.972 186 N CB 0.855 39.348 38.487 0.010 0.000 1.207 186 N HN -0.112 nan 8.380 nan 0.000 0.525 187 A N 0.280 123.111 122.820 0.018 0.000 1.917 187 A HA -0.086 4.235 4.320 0.001 0.000 0.219 187 A C 2.017 179.614 177.584 0.022 0.000 1.182 187 A CA 2.110 54.160 52.037 0.021 0.000 0.633 187 A CB -1.755 17.260 19.000 0.025 0.000 0.819 187 A HN 0.832 nan 8.150 nan 0.000 0.448 188 G N -0.782 108.029 108.800 0.017 0.000 2.418 188 G HA2 0.015 3.976 3.960 0.001 0.000 0.217 188 G HA3 0.015 3.976 3.960 0.001 0.000 0.217 188 G C 1.748 176.634 174.900 -0.024 0.000 1.158 188 G CA 1.451 46.561 45.100 0.016 0.000 0.771 188 G HN 0.832 nan 8.290 nan 0.000 0.545 189 A N 0.817 123.595 122.820 -0.071 0.000 1.898 189 A HA 0.034 4.354 4.320 0.001 0.000 0.216 189 A C 2.305 179.840 177.584 -0.081 0.000 1.181 189 A CA 1.878 53.838 52.037 -0.128 0.000 0.620 189 A CB -0.325 18.604 19.000 -0.118 0.000 0.819 189 A HN 0.366 nan 8.150 nan 0.000 0.442 190 K N -0.230 120.151 120.400 -0.032 0.000 2.097 190 K HA -0.068 4.253 4.320 0.001 0.000 0.206 190 K C 2.305 178.913 176.600 0.014 0.000 1.049 190 K CA 1.103 57.385 56.287 -0.008 0.000 0.933 190 K CB -0.318 32.187 32.500 0.008 0.000 0.717 190 K HN 0.443 nan 8.250 nan 0.000 0.442 191 A N 1.316 124.169 122.820 0.056 0.000 1.873 191 A HA -0.083 4.238 4.320 0.001 0.000 0.215 191 A C 2.448 180.095 177.584 0.105 0.000 1.186 191 A CA 1.896 54.031 52.037 0.164 0.000 0.616 191 A CB -1.227 17.919 19.000 0.242 0.000 0.823 191 A HN 0.416 nan 8.150 nan 0.000 0.442 192 G N -0.251 108.490 108.800 -0.097 0.000 2.446 192 G HA2 -0.169 3.792 3.960 0.001 0.000 0.217 192 G HA3 -0.169 3.792 3.960 0.001 0.000 0.217 192 G C 1.498 176.170 174.900 -0.381 0.000 1.168 192 G CA 1.292 46.059 45.100 -0.556 0.000 0.771 192 G HN 0.457 nan 8.290 nan 0.000 0.551 193 L N 0.816 121.923 121.223 -0.193 0.000 2.056 193 L HA 0.053 4.394 4.340 0.001 0.000 0.207 193 L C 2.947 179.777 176.870 -0.067 0.000 1.078 193 L CA 2.379 57.149 54.840 -0.115 0.000 0.749 193 L CB -0.992 41.029 42.059 -0.063 0.000 0.901 193 L HN 0.184 nan 8.230 nan 0.000 0.433 194 T N -0.520 114.018 114.554 -0.025 0.000 2.699 194 T HA -0.264 4.087 4.350 0.001 0.000 0.268 194 T C 1.659 176.371 174.700 0.021 0.000 1.036 194 T CA 2.048 64.155 62.100 0.013 0.000 1.147 194 T CB -0.569 68.333 68.868 0.056 0.000 0.862 194 T HN 0.371 nan 8.240 nan 0.000 0.446 195 F N 1.304 121.182 119.950 -0.120 0.000 2.095 195 F HA -0.081 4.446 4.527 0.001 0.000 0.298 195 F C 2.025 177.748 175.800 -0.129 0.000 1.104 195 F CA 0.941 58.867 58.000 -0.122 0.000 1.232 195 F CB -0.491 38.324 39.000 -0.307 0.000 0.987 195 F HN 0.046 nan 8.300 nan 0.000 0.475 196 L N -0.073 121.117 121.223 -0.055 0.000 2.012 196 L HA -0.179 4.161 4.340 0.001 0.000 0.210 196 L C 2.180 179.006 176.870 -0.073 0.000 1.073 196 L CA 1.753 56.554 54.840 -0.064 0.000 0.748 196 L CB -0.951 41.069 42.059 -0.065 0.000 0.891 196 L HN 0.054 nan 8.230 nan 0.000 0.431 197 V N -0.274 119.598 119.914 -0.070 0.000 2.515 197 V HA -0.237 3.883 4.120 0.001 0.000 0.250 197 V C 2.200 178.247 176.094 -0.078 0.000 1.058 197 V CA 1.692 63.956 62.300 -0.060 0.000 1.064 197 V CB -0.867 30.931 31.823 -0.043 0.000 0.675 197 V HN 0.446 nan 8.190 nan 0.000 0.461 198 D N 0.286 120.616 120.400 -0.115 0.000 2.117 198 D HA -0.098 4.543 4.640 0.001 0.000 0.198 198 D C 2.167 178.388 176.300 -0.131 0.000 0.982 198 D CA 1.074 54.993 54.000 -0.134 0.000 0.828 198 D CB -0.239 40.452 40.800 -0.182 0.000 0.967 198 D HN 0.326 nan 8.370 nan 0.000 0.464 199 L N 0.396 121.520 121.223 -0.165 0.000 2.079 199 L HA -0.172 4.168 4.340 0.001 0.000 0.210 199 L C 2.406 179.270 176.870 -0.010 0.000 1.081 199 L CA 0.818 55.648 54.840 -0.018 0.000 0.752 199 L CB -0.303 41.774 42.059 0.030 0.000 0.896 199 L HN 0.061 nan 8.230 nan 0.000 0.433 200 I N -0.725 119.817 120.570 -0.047 0.000 2.277 200 I HA -0.235 3.936 4.170 0.001 0.000 0.243 200 I C 2.547 178.614 176.117 -0.083 0.000 1.094 200 I CA 1.026 62.292 61.300 -0.057 0.000 1.393 200 I CB -0.286 37.682 38.000 -0.053 0.000 1.078 200 I HN 0.137 nan 8.210 nan 0.000 0.417 201 K N 1.134 121.485 120.400 -0.081 0.000 2.044 201 K HA -0.207 4.114 4.320 0.001 0.000 0.210 201 K C 1.309 177.838 176.600 -0.118 0.000 1.049 201 K CA 2.079 58.317 56.287 -0.083 0.000 0.927 201 K CB -0.382 32.077 32.500 -0.067 0.000 0.713 201 K HN 0.438 nan 8.250 nan 0.000 0.443 202 N N 0.515 119.114 118.700 -0.168 0.000 2.383 202 N HA 0.021 4.761 4.740 0.001 0.000 0.192 202 N C -0.736 174.461 175.510 -0.521 0.000 1.141 202 N CA 0.037 52.908 53.050 -0.299 0.000 0.851 202 N CB 0.331 38.653 38.487 -0.275 0.000 0.976 202 N HN 0.068 nan 8.380 nan 0.000 0.465 203 K N -0.242 119.966 120.400 -0.320 0.000 3.129 203 K HA -0.218 4.102 4.320 0.001 0.000 0.273 203 K C -0.418 176.042 176.600 -0.232 0.000 1.123 203 K CA 0.415 56.564 56.287 -0.230 0.000 0.800 203 K CB -1.639 30.758 32.500 -0.171 0.000 1.238 203 K HN 0.527 nan 8.250 nan 0.000 0.492 204 H N -0.926 118.143 119.070 -0.003 0.000 2.544 204 H HA 0.247 4.803 4.556 0.001 0.000 0.269 204 H C 0.885 176.233 175.328 0.034 0.000 0.970 204 H CA 0.673 56.733 56.048 0.022 0.000 1.219 204 H CB 0.281 30.061 29.762 0.030 0.000 1.421 204 H HN 0.277 nan 8.280 nan 0.000 0.555 205 M N 0.014 119.668 119.600 0.091 0.000 2.618 205 M HA 0.223 4.703 4.480 0.001 0.000 0.281 205 M C -0.625 175.664 176.300 -0.017 0.000 1.267 205 M CA -0.552 54.772 55.300 0.040 0.000 0.845 205 M CB 3.463 36.087 32.600 0.040 0.000 1.732 205 M HN -0.066 nan 8.290 nan 0.000 0.461 206 N N 0.235 118.912 118.700 -0.038 0.000 2.362 206 N HA 0.478 5.218 4.740 0.001 0.000 0.298 206 N C 0.066 175.534 175.510 -0.069 0.000 1.048 206 N CA 0.102 53.123 53.050 -0.048 0.000 0.858 206 N CB 2.145 40.610 38.487 -0.038 0.000 1.218 206 N HN 0.816 nan 8.380 nan 0.000 0.488 207 A N 2.741 125.525 122.820 -0.060 0.000 2.015 207 A HA -0.107 4.214 4.320 0.001 0.000 0.219 207 A C 1.038 178.586 177.584 -0.061 0.000 1.163 207 A CA 1.260 53.259 52.037 -0.062 0.000 0.646 207 A CB -0.068 18.903 19.000 -0.047 0.000 0.806 207 A HN 0.752 nan 8.150 nan 0.000 0.448 208 D N -0.250 120.119 120.400 -0.051 0.000 2.340 208 D HA 0.041 4.681 4.640 0.001 0.000 0.220 208 D C 0.092 176.363 176.300 -0.049 0.000 1.039 208 D CA 0.425 54.401 54.000 -0.042 0.000 0.866 208 D CB -0.310 40.473 40.800 -0.029 0.000 0.913 208 D HN 0.200 nan 8.370 nan 0.000 0.523 209 T N 2.629 117.139 114.554 -0.073 0.000 2.867 209 T HA 0.138 4.488 4.350 0.001 0.000 0.297 209 T C 0.245 174.885 174.700 -0.099 0.000 0.989 209 T CA -0.046 62.002 62.100 -0.087 0.000 1.159 209 T CB 0.710 69.504 68.868 -0.123 0.000 0.928 209 T HN 0.216 nan 8.240 nan 0.000 0.538 210 D N 1.600 121.961 120.400 -0.064 0.000 2.689 210 D HA 0.152 4.793 4.640 0.001 0.000 0.255 210 D C 1.014 177.292 176.300 -0.038 0.000 1.113 210 D CA -1.008 52.968 54.000 -0.040 0.000 1.115 210 D CB 0.141 40.948 40.800 0.011 0.000 1.334 210 D HN 0.334 nan 8.370 nan 0.000 0.621 211 Y N 0.486 120.722 120.300 -0.107 0.000 2.097 211 Y HA -0.245 4.305 4.550 0.001 0.000 0.282 211 Y C 2.596 178.483 175.900 -0.020 0.000 1.152 211 Y CA 3.406 61.449 58.100 -0.095 0.000 1.136 211 Y CB -0.281 38.152 38.460 -0.046 0.000 0.975 211 Y HN 0.457 nan 8.280 nan 0.000 0.498 212 S N -0.438 115.375 115.700 0.188 0.000 2.383 212 S HA -0.180 4.291 4.470 0.001 0.000 0.227 212 S C 2.008 176.628 174.600 0.034 0.000 1.026 212 S CA 1.429 59.709 58.200 0.134 0.000 0.981 212 S CB -0.998 62.285 63.200 0.137 0.000 0.818 212 S HN 0.523 nan 8.310 nan 0.000 0.472 213 I N 2.366 122.943 120.570 0.011 0.000 2.179 213 I HA -0.135 4.036 4.170 0.001 0.000 0.242 213 I C 3.125 179.231 176.117 -0.019 0.000 1.088 213 I CA 1.170 62.468 61.300 -0.003 0.000 1.357 213 I CB -0.700 37.294 38.000 -0.011 0.000 1.051 213 I HN 0.427 nan 8.210 nan 0.000 0.409 214 A N 0.263 123.046 122.820 -0.062 0.000 1.883 214 A HA -0.296 4.025 4.320 0.001 0.000 0.217 214 A C 2.306 179.861 177.584 -0.049 0.000 1.186 214 A CA 2.155 54.155 52.037 -0.062 0.000 0.624 214 A CB -0.731 18.194 19.000 -0.126 0.000 0.822 214 A HN 0.521 nan 8.150 nan 0.000 0.444 215 E N -0.243 119.876 120.200 -0.134 0.000 2.051 215 E HA -0.124 4.226 4.350 0.001 0.000 0.192 215 E C 2.147 178.767 176.600 0.032 0.000 0.991 215 E CA 1.108 57.455 56.400 -0.088 0.000 0.799 215 E CB -0.288 29.331 29.700 -0.134 0.000 0.748 215 E HN 0.520 nan 8.360 nan 0.000 0.449 216 A N 1.080 123.917 122.820 0.028 0.000 1.933 216 A HA -0.103 4.217 4.320 0.001 0.000 0.218 216 A C 2.356 179.965 177.584 0.042 0.000 1.175 216 A CA 1.802 53.862 52.037 0.039 0.000 0.628 216 A CB -0.711 18.309 19.000 0.033 0.000 0.814 216 A HN 0.431 nan 8.150 nan 0.000 0.444 217 A N -1.279 121.571 122.820 0.051 0.000 1.873 217 A HA -0.007 4.313 4.320 0.001 0.000 0.215 217 A C 2.068 179.698 177.584 0.077 0.000 1.186 217 A CA 1.553 53.624 52.037 0.057 0.000 0.616 217 A CB -0.681 18.357 19.000 0.064 0.000 0.823 217 A HN 0.641 nan 8.150 nan 0.000 0.442 218 F N 1.220 121.157 119.950 -0.022 0.000 2.163 218 F HA -0.116 4.412 4.527 0.001 0.000 0.297 218 F C 1.838 177.619 175.800 -0.032 0.000 1.094 218 F CA 1.819 59.806 58.000 -0.023 0.000 1.290 218 F CB -0.132 38.846 39.000 -0.036 0.000 1.017 218 F HN 0.196 nan 8.300 nan 0.000 0.483 219 N N 0.504 119.262 118.700 0.095 0.000 2.396 219 N HA -0.101 4.639 4.740 0.001 0.000 0.180 219 N C 1.327 176.801 175.510 -0.059 0.000 1.028 219 N CA 1.026 54.082 53.050 0.010 0.000 0.893 219 N CB -0.277 38.249 38.487 0.065 0.000 0.967 219 N HN 0.353 nan 8.380 nan 0.000 0.440 220 K N -0.479 119.891 120.400 -0.050 0.000 2.444 220 K HA 0.166 4.487 4.320 0.001 0.000 0.193 220 K C 0.626 177.172 176.600 -0.090 0.000 1.024 220 K CA 0.345 56.601 56.287 -0.052 0.000 1.077 220 K CB 0.360 32.847 32.500 -0.021 0.000 0.833 220 K HN 0.169 nan 8.250 nan 0.000 0.517 221 G N 1.936 110.636 108.800 -0.166 0.000 2.147 221 G HA2 -0.287 3.673 3.960 0.001 0.000 0.244 221 G HA3 -0.287 3.673 3.960 0.001 0.000 0.244 221 G C 0.380 175.211 174.900 -0.115 0.000 1.005 221 G CA 0.440 45.423 45.100 -0.194 0.000 0.713 221 G HN 0.451 nan 8.290 nan 0.000 0.515 222 E N -0.955 119.201 120.200 -0.072 0.000 2.318 222 E HA 0.133 4.484 4.350 0.001 0.000 0.193 222 E C 1.099 177.702 176.600 0.005 0.000 0.998 222 E CA 0.995 57.382 56.400 -0.022 0.000 0.859 222 E CB 0.429 30.128 29.700 -0.002 0.000 0.812 222 E HN 0.331 nan 8.360 nan 0.000 0.492 223 T N -1.256 113.309 114.554 0.018 0.000 2.876 223 T HA 0.476 4.827 4.350 0.001 0.000 0.289 223 T C 0.269 175.034 174.700 0.109 0.000 1.014 223 T CA -0.285 61.869 62.100 0.090 0.000 0.986 223 T CB 1.686 70.650 68.868 0.160 0.000 1.021 223 T HN -0.004 nan 8.240 nan 0.000 0.458 224 A N 4.333 127.237 122.820 0.139 0.000 2.067 224 A HA 0.438 4.759 4.320 0.001 0.000 0.217 224 A C 0.743 178.542 177.584 0.358 0.000 1.156 224 A CA 0.704 52.839 52.037 0.164 0.000 0.683 224 A CB -0.177 18.893 19.000 0.116 0.000 0.808 224 A HN 0.741 nan 8.150 nan 0.000 0.455 225 M N -2.207 117.619 119.600 0.377 0.000 2.569 225 M HA 0.455 4.935 4.480 0.001 0.000 0.279 225 M C -0.671 175.733 176.300 0.173 0.000 1.253 225 M CA -0.261 55.227 55.300 0.313 0.000 0.867 225 M CB 2.506 35.183 32.600 0.128 0.000 1.727 225 M HN 0.052 nan 8.290 nan 0.000 0.467 226 T N 0.904 115.373 114.554 -0.141 0.000 2.787 226 T HA 0.811 5.161 4.350 0.001 0.000 0.297 226 T C -1.967 172.635 174.700 -0.162 0.000 1.221 226 T CA -0.545 61.467 62.100 -0.146 0.000 1.006 226 T CB 1.487 70.158 68.868 -0.328 0.000 1.328 226 T HN 0.577 nan 8.240 nan 0.000 0.509 227 I N 3.394 123.931 120.570 -0.055 0.000 2.447 227 I HA 0.554 4.725 4.170 0.001 0.000 0.287 227 I C -0.176 176.045 176.117 0.173 0.000 1.023 227 I CA -0.727 60.546 61.300 -0.046 0.000 1.083 227 I CB 1.728 39.588 38.000 -0.234 0.000 1.245 227 I HN 0.506 nan 8.210 nan 0.000 0.434 228 N N 2.874 121.626 118.700 0.088 0.000 3.179 228 N HA 0.530 5.271 4.740 0.001 0.000 0.250 228 N C -1.024 174.341 175.510 -0.242 0.000 1.507 228 N CA -0.362 52.762 53.050 0.124 0.000 0.883 228 N CB 2.382 40.875 38.487 0.011 0.000 1.435 228 N HN 0.653 nan 8.380 nan 0.000 0.532 229 G N -0.003 108.286 108.800 -0.851 0.000 2.601 229 G HA2 0.499 4.459 3.960 0.001 0.000 0.317 229 G HA3 0.499 4.459 3.960 0.001 0.000 0.317 229 G C -1.932 171.878 174.900 -1.815 0.000 1.246 229 G CA -1.104 43.081 45.100 -1.526 0.000 1.012 229 G HN 0.308 nan 8.290 nan 0.000 0.494 230 P HA -0.156 nan 4.420 nan 0.000 0.216 230 P C 1.560 178.036 177.300 -1.375 0.000 1.153 230 P CA 2.048 63.824 63.100 -2.207 0.000 0.858 230 P CB -0.081 30.894 31.700 -1.207 0.000 0.789 231 W N 0.465 121.453 121.300 -0.520 0.000 2.308 231 W HA -0.180 4.481 4.660 0.001 0.000 0.301 231 W C 2.040 178.465 176.519 -0.157 0.000 1.220 231 W CA 1.259 58.452 57.345 -0.254 0.000 1.240 231 W CB -2.094 27.271 29.460 -0.158 0.000 1.142 231 W HN -0.116 nan 8.180 nan 0.000 0.521 232 A N 0.317 122.835 122.820 -0.504 0.000 2.067 232 A HA -0.098 4.223 4.320 0.001 0.000 0.219 232 A C 1.673 179.259 177.584 0.005 0.000 1.158 232 A CA 1.306 53.267 52.037 -0.125 0.000 0.661 232 A CB -1.306 17.559 19.000 -0.224 0.000 0.801 232 A HN 0.488 nan 8.150 nan 0.000 0.452 233 W N -0.031 121.205 121.300 -0.107 0.000 2.374 233 W HA -0.065 4.596 4.660 0.001 0.000 0.288 233 W C 2.724 179.235 176.519 -0.013 0.000 1.218 233 W CA 0.582 57.877 57.345 -0.084 0.000 1.245 233 W CB -1.508 27.963 29.460 0.018 0.000 1.126 233 W HN 0.423 nan 8.180 nan 0.000 0.545 234 S N 0.705 116.542 115.700 0.229 0.000 2.368 234 S HA -0.181 4.290 4.470 0.001 0.000 0.225 234 S C 1.727 176.396 174.600 0.115 0.000 1.030 234 S CA 1.716 60.011 58.200 0.159 0.000 0.999 234 S CB -0.260 63.006 63.200 0.110 0.000 0.844 234 S HN 0.138 nan 8.310 nan 0.000 0.459 235 N N 1.262 120.023 118.700 0.100 0.000 2.270 235 N HA 0.092 4.832 4.740 0.001 0.000 0.181 235 N C 1.662 177.207 175.510 0.059 0.000 1.016 235 N CA 1.092 54.190 53.050 0.079 0.000 0.870 235 N CB -0.409 38.134 38.487 0.094 0.000 0.979 235 N HN 0.499 nan 8.380 nan 0.000 0.431 236 I N 0.762 121.347 120.570 0.025 0.000 2.286 236 I HA -0.188 3.982 4.170 0.001 0.000 0.245 236 I C 1.426 177.567 176.117 0.040 0.000 1.104 236 I CA 0.887 62.153 61.300 -0.057 0.000 1.397 236 I CB -0.230 37.522 38.000 -0.413 0.000 1.072 236 I HN -0.061 nan 8.210 nan 0.000 0.417 237 D N 0.995 121.471 120.400 0.127 0.000 2.116 237 D HA -0.169 4.472 4.640 0.001 0.000 0.193 237 D C 2.218 178.584 176.300 0.109 0.000 0.998 237 D CA 1.900 56.010 54.000 0.183 0.000 0.836 237 D CB -0.518 40.385 40.800 0.173 0.000 0.951 237 D HN 0.265 nan 8.370 nan 0.000 0.449 238 T N 0.012 114.615 114.554 0.082 0.000 2.833 238 T HA -0.138 4.213 4.350 0.001 0.000 0.269 238 T C 2.009 176.737 174.700 0.047 0.000 1.054 238 T CA 1.573 63.709 62.100 0.059 0.000 1.135 238 T CB -0.301 68.598 68.868 0.052 0.000 0.869 238 T HN 0.233 nan 8.240 nan 0.000 0.466 239 S N 0.574 116.302 115.700 0.046 0.000 2.515 239 S HA 0.031 4.501 4.470 0.001 0.000 0.231 239 S C 0.978 175.592 174.600 0.023 0.000 0.987 239 S CA 0.521 58.737 58.200 0.027 0.000 0.936 239 S CB -0.302 62.908 63.200 0.016 0.000 0.766 239 S HN 0.284 nan 8.310 nan 0.000 0.528 240 K N -0.003 120.424 120.400 0.046 0.000 3.160 240 K HA -0.089 4.232 4.320 0.001 0.000 0.280 240 K C -0.582 176.036 176.600 0.030 0.000 1.154 240 K CA 0.730 57.041 56.287 0.041 0.000 0.822 240 K CB -2.588 29.923 32.500 0.019 0.000 1.239 240 K HN 0.424 nan 8.250 nan 0.000 0.489 241 V N 1.326 121.264 119.914 0.041 0.000 2.555 241 V HA 0.074 4.195 4.120 0.001 0.000 0.286 241 V C 0.832 176.987 176.094 0.101 0.000 1.044 241 V CA -0.562 61.739 62.300 0.003 0.000 1.026 241 V CB 1.283 33.040 31.823 -0.111 0.000 0.981 241 V HN 0.314 nan 8.190 nan 0.000 0.480 242 N N 4.905 123.612 118.700 0.011 0.000 2.448 242 N HA 0.189 4.930 4.740 0.001 0.000 0.250 242 N C -0.897 174.596 175.510 -0.028 0.000 1.136 242 N CA -0.169 52.864 53.050 -0.028 0.000 0.953 242 N CB -0.138 38.312 38.487 -0.062 0.000 1.251 242 N HN 0.616 nan 8.380 nan 0.000 0.502 243 Y N 0.427 120.633 120.300 -0.156 0.000 2.536 243 Y HA 0.856 5.407 4.550 0.001 0.000 0.347 243 Y C 0.068 175.740 175.900 -0.380 0.000 1.000 243 Y CA -1.531 56.442 58.100 -0.211 0.000 1.051 243 Y CB 0.972 39.456 38.460 0.039 0.000 1.259 243 Y HN 0.276 nan 8.280 nan 0.000 0.468 244 G N 1.117 109.524 108.800 -0.656 0.000 2.482 244 G HA2 0.565 4.526 3.960 0.001 0.000 0.317 244 G HA3 0.565 4.526 3.960 0.001 0.000 0.317 244 G C -1.986 172.766 174.900 -0.246 0.000 1.241 244 G CA -1.119 43.598 45.100 -0.638 0.000 0.967 244 G HN 0.666 nan 8.290 nan 0.000 0.482 245 V N 1.211 121.051 119.914 -0.122 0.000 2.347 245 V HA 0.664 4.785 4.120 0.001 0.000 0.280 245 V C 0.438 176.569 176.094 0.062 0.000 1.021 245 V CA -0.358 61.940 62.300 -0.003 0.000 0.847 245 V CB 0.874 32.610 31.823 -0.145 0.000 0.990 245 V HN 0.868 nan 8.190 nan 0.000 0.444 246 T N 3.163 117.795 114.554 0.129 0.000 2.831 246 T HA 0.535 4.886 4.350 0.001 0.000 0.287 246 T C -0.607 174.104 174.700 0.019 0.000 1.070 246 T CA -0.384 61.764 62.100 0.081 0.000 1.010 246 T CB 2.015 70.939 68.868 0.095 0.000 1.264 246 T HN 0.438 nan 8.240 nan 0.000 0.532 247 V N 2.944 122.847 119.914 -0.018 0.000 2.763 247 V HA 0.344 4.465 4.120 0.001 0.000 0.306 247 V C 0.226 176.279 176.094 -0.068 0.000 1.059 247 V CA -0.059 62.221 62.300 -0.034 0.000 1.138 247 V CB 0.029 31.828 31.823 -0.040 0.000 0.940 247 V HN 0.714 nan 8.190 nan 0.000 0.489 248 L N 7.979 129.166 121.223 -0.060 0.000 2.461 248 L HA 0.291 4.631 4.340 0.001 0.000 0.272 248 L C -1.976 174.820 176.870 -0.124 0.000 1.197 248 L CA -1.441 53.340 54.840 -0.098 0.000 0.836 248 L CB 0.335 42.377 42.059 -0.028 0.000 1.105 248 L HN 0.554 nan 8.230 nan 0.000 0.477 249 P HA 0.077 nan 4.420 nan 0.000 0.272 249 P C -0.573 176.736 177.300 0.015 0.000 1.223 249 P CA -0.466 62.470 63.100 -0.274 0.000 0.784 249 P CB 0.448 31.729 31.700 -0.698 0.000 0.923 250 T N -0.787 113.804 114.554 0.061 0.000 2.868 250 T HA 0.456 4.807 4.350 0.001 0.000 0.292 250 T C -0.642 174.245 174.700 0.311 0.000 1.028 250 T CA -0.266 61.922 62.100 0.146 0.000 1.059 250 T CB 0.123 69.015 68.868 0.040 0.000 0.991 250 T HN 0.213 nan 8.240 nan 0.000 0.531 251 F N 1.992 121.965 119.950 0.039 0.000 2.536 251 F HA 0.431 4.959 4.527 0.001 0.000 0.322 251 F C 0.400 176.129 175.800 -0.119 0.000 1.144 251 F CA -1.366 56.574 58.000 -0.101 0.000 0.924 251 F CB 1.168 40.005 39.000 -0.270 0.000 1.181 251 F HN 0.851 nan 8.300 nan 0.000 0.438 252 K N 4.555 124.505 120.400 -0.751 0.000 3.071 252 K HA -0.225 4.095 4.320 0.001 0.000 0.262 252 K C 0.940 177.379 176.600 -0.270 0.000 0.977 252 K CA 0.855 56.800 56.287 -0.570 0.000 0.721 252 K CB -1.919 30.134 32.500 -0.746 0.000 1.293 252 K HN 1.448 nan 8.250 nan 0.000 0.475 253 G N -0.322 108.380 108.800 -0.163 0.000 2.212 253 G HA2 -0.362 3.599 3.960 0.001 0.000 0.266 253 G HA3 -0.362 3.599 3.960 0.001 0.000 0.266 253 G C 0.018 174.882 174.900 -0.061 0.000 0.978 253 G CA 0.920 45.965 45.100 -0.091 0.000 0.632 253 G HN 0.482 nan 8.290 nan 0.000 0.537 254 Q N 1.100 120.865 119.800 -0.059 0.000 2.235 254 Q HA 0.542 4.883 4.340 0.001 0.000 0.256 254 Q C -2.352 173.660 176.000 0.020 0.000 0.951 254 Q CA -2.064 53.725 55.803 -0.023 0.000 0.890 254 Q CB 2.299 31.020 28.738 -0.029 0.000 1.279 254 Q HN 0.249 nan 8.270 nan 0.000 0.444 255 P HA 0.028 nan 4.420 nan 0.000 0.275 255 P C -0.787 176.540 177.300 0.045 0.000 1.228 255 P CA -0.209 62.910 63.100 0.032 0.000 0.786 255 P CB 0.926 32.632 31.700 0.010 0.000 0.927 256 S N 1.954 117.702 115.700 0.080 0.000 2.549 256 S HA 0.060 4.531 4.470 0.001 0.000 0.286 256 S C 0.449 175.053 174.600 0.006 0.000 1.314 256 S CA -0.036 58.204 58.200 0.066 0.000 1.062 256 S CB -0.180 63.114 63.200 0.157 0.000 0.865 256 S HN 0.288 nan 8.310 nan 0.000 0.498 257 K N 3.725 124.093 120.400 -0.053 0.000 2.432 257 K HA 0.263 4.583 4.320 0.001 0.000 0.226 257 K C -2.625 173.952 176.600 -0.039 0.000 1.057 257 K CA -1.743 54.512 56.287 -0.054 0.000 1.034 257 K CB 0.929 33.373 32.500 -0.094 0.000 1.561 257 K HN 0.398 nan 8.250 nan 0.000 0.492 258 P HA 0.050 nan 4.420 nan 0.000 0.275 258 P C -0.493 176.915 177.300 0.180 0.000 1.227 258 P CA -0.361 62.782 63.100 0.072 0.000 0.781 258 P CB 0.507 32.221 31.700 0.023 0.000 0.906 259 F N 1.892 122.018 119.950 0.293 0.000 2.543 259 F HA 0.007 4.534 4.527 0.001 0.000 0.375 259 F C 0.819 176.802 175.800 0.306 0.000 1.075 259 F CA 0.168 58.368 58.000 0.333 0.000 1.225 259 F CB 0.102 39.351 39.000 0.415 0.000 1.099 259 F HN 0.026 nan 8.300 nan 0.000 0.561 260 V N 4.396 124.645 119.914 0.557 0.000 2.508 260 V HA 0.454 4.574 4.120 0.001 0.000 0.281 260 V C 0.677 177.083 176.094 0.521 0.000 1.041 260 V CA -0.395 62.176 62.300 0.452 0.000 1.016 260 V CB 0.603 32.669 31.823 0.405 0.000 0.984 260 V HN 0.869 nan 8.190 nan 0.000 0.478 261 G N 3.347 112.422 108.800 0.458 0.000 2.416 261 G HA2 0.595 4.556 3.960 0.001 0.000 0.329 261 G HA3 0.595 4.556 3.960 0.001 0.000 0.329 261 G C -1.152 173.953 174.900 0.341 0.000 1.173 261 G CA -0.495 44.868 45.100 0.439 0.000 0.929 261 G HN 0.538 nan 8.290 nan 0.000 0.475 262 V N 3.249 123.397 119.914 0.389 0.000 2.313 262 V HA 0.207 4.328 4.120 0.001 0.000 0.278 262 V C 0.122 176.297 176.094 0.135 0.000 1.017 262 V CA -0.755 61.637 62.300 0.152 0.000 0.823 262 V CB 1.057 32.822 31.823 -0.096 0.000 1.010 262 V HN 0.723 nan 8.190 nan 0.000 0.443 263 L N 5.834 127.112 121.223 0.091 0.000 2.559 263 L HA 0.257 4.597 4.340 0.001 0.000 0.274 263 L C 0.386 177.283 176.870 0.045 0.000 1.205 263 L CA 1.384 56.269 54.840 0.076 0.000 0.907 263 L CB 0.407 42.523 42.059 0.095 0.000 1.153 263 L HN 0.728 nan 8.230 nan 0.000 0.490 264 S N 3.337 119.033 115.700 -0.005 0.000 2.599 264 S HA 0.904 5.374 4.470 0.001 0.000 0.287 264 S C -0.805 173.590 174.600 -0.342 0.000 1.105 264 S CA -0.347 57.699 58.200 -0.257 0.000 0.899 264 S CB 1.889 64.722 63.200 -0.611 0.000 1.100 264 S HN 0.895 nan 8.310 nan 0.000 0.482 265 A N 1.252 123.790 122.820 -0.471 0.000 2.340 265 A HA 0.766 5.087 4.320 0.001 0.000 0.297 265 A C 0.129 177.577 177.584 -0.227 0.000 1.195 265 A CA -0.595 51.055 52.037 -0.645 0.000 0.769 265 A CB 0.473 18.827 19.000 -1.076 0.000 1.163 265 A HN 0.905 nan 8.150 nan 0.000 0.472 266 G N 1.144 109.954 108.800 0.016 0.000 2.410 266 G HA2 0.584 4.545 3.960 0.001 0.000 0.330 266 G HA3 0.584 4.545 3.960 0.001 0.000 0.330 266 G C -0.491 174.458 174.900 0.082 0.000 1.142 266 G CA -0.634 44.567 45.100 0.168 0.000 0.902 266 G HN 0.678 nan 8.290 nan 0.000 0.491 267 I N 1.651 122.285 120.570 0.107 0.000 2.336 267 I HA 0.115 4.285 4.170 0.001 0.000 0.292 267 I C 0.110 176.285 176.117 0.096 0.000 0.991 267 I CA -0.945 60.405 61.300 0.083 0.000 1.227 267 I CB 1.471 39.532 38.000 0.101 0.000 1.366 267 I HN 0.337 nan 8.210 nan 0.000 0.466 268 N N 4.497 123.250 118.700 0.088 0.000 2.411 268 N HA 0.002 4.742 4.740 0.001 0.000 0.261 268 N C 0.875 176.420 175.510 0.058 0.000 1.248 268 N CA 0.354 53.478 53.050 0.124 0.000 0.885 268 N CB 1.464 39.993 38.487 0.070 0.000 1.062 268 N HN 0.794 nan 8.380 nan 0.000 0.471 269 A N 4.039 126.890 122.820 0.052 0.000 1.978 269 A HA -0.089 4.232 4.320 0.001 0.000 0.220 269 A C 1.837 179.416 177.584 -0.008 0.000 1.170 269 A CA 1.863 53.913 52.037 0.023 0.000 0.636 269 A CB -0.517 18.493 19.000 0.017 0.000 0.810 269 A HN 0.755 nan 8.150 nan 0.000 0.448 270 A N -0.738 122.059 122.820 -0.038 0.000 2.251 270 A HA 0.334 4.654 4.320 0.001 0.000 0.209 270 A C 1.359 178.916 177.584 -0.046 0.000 1.187 270 A CA 0.699 52.704 52.037 -0.054 0.000 0.823 270 A CB -0.518 18.426 19.000 -0.092 0.000 0.846 270 A HN 0.456 nan 8.150 nan 0.000 0.486 271 S N 1.118 116.799 115.700 -0.032 0.000 2.533 271 S HA 0.260 4.730 4.470 0.001 0.000 0.282 271 S C -1.352 173.238 174.600 -0.017 0.000 1.304 271 S CA -0.861 57.322 58.200 -0.029 0.000 1.063 271 S CB 0.741 63.930 63.200 -0.017 0.000 0.881 271 S HN 0.300 nan 8.310 nan 0.000 0.493 272 P HA 0.178 nan 4.420 nan 0.000 0.257 272 P C -0.396 176.905 177.300 0.000 0.000 1.281 272 P CA 0.154 63.248 63.100 -0.009 0.000 0.826 272 P CB 0.002 31.694 31.700 -0.014 0.000 1.237 273 N N 0.329 119.029 118.700 -0.000 0.000 2.480 273 N HA 0.129 4.870 4.740 0.001 0.000 0.281 273 N C 0.876 176.399 175.510 0.021 0.000 1.381 273 N CA -0.220 52.836 53.050 0.010 0.000 0.903 273 N CB 0.586 39.072 38.487 -0.002 0.000 1.274 273 N HN 0.176 nan 8.380 nan 0.000 0.505 274 K N 0.616 121.033 120.400 0.027 0.000 2.211 274 K HA -0.078 4.243 4.320 0.001 0.000 0.203 274 K C 0.989 177.623 176.600 0.056 0.000 1.050 274 K CA 1.128 57.440 56.287 0.042 0.000 0.945 274 K CB 0.400 32.924 32.500 0.041 0.000 0.732 274 K HN 0.153 nan 8.250 nan 0.000 0.451 275 E N 1.052 121.285 120.200 0.055 0.000 2.051 275 E HA -0.071 4.280 4.350 0.001 0.000 0.189 275 E C 1.904 178.559 176.600 0.092 0.000 0.979 275 E CA 0.731 57.171 56.400 0.067 0.000 0.803 275 E CB -0.145 29.590 29.700 0.059 0.000 0.761 275 E HN 0.125 nan 8.360 nan 0.000 0.451 276 L N 0.545 121.829 121.223 0.102 0.000 2.079 276 L HA -0.196 4.144 4.340 0.001 0.000 0.210 276 L C 2.417 179.336 176.870 0.081 0.000 1.081 276 L CA 1.119 56.058 54.840 0.165 0.000 0.752 276 L CB -0.608 41.544 42.059 0.156 0.000 0.896 276 L HN 0.172 nan 8.230 nan 0.000 0.433 277 A N 0.343 123.180 122.820 0.029 0.000 1.873 277 A HA -0.241 4.080 4.320 0.001 0.000 0.215 277 A C 2.423 180.024 177.584 0.027 0.000 1.186 277 A CA 1.898 53.938 52.037 0.006 0.000 0.616 277 A CB -0.419 18.594 19.000 0.022 0.000 0.823 277 A HN 0.346 nan 8.150 nan 0.000 0.442 278 K N -0.527 119.899 120.400 0.044 0.000 2.026 278 K HA -0.194 4.126 4.320 0.001 0.000 0.208 278 K C 1.990 178.554 176.600 -0.060 0.000 1.048 278 K CA 1.562 57.847 56.287 -0.002 0.000 0.929 278 K CB -0.161 32.383 32.500 0.074 0.000 0.713 278 K HN 0.383 nan 8.250 nan 0.000 0.439 279 E N 0.216 120.455 120.200 0.066 0.000 2.038 279 E HA -0.214 4.136 4.350 0.001 0.000 0.195 279 E C 1.841 178.571 176.600 0.216 0.000 1.000 279 E CA 1.338 57.846 56.400 0.179 0.000 0.803 279 E CB -0.352 29.548 29.700 0.333 0.000 0.750 279 E HN 0.363 nan 8.360 nan 0.000 0.448 280 F N 1.270 121.140 119.950 -0.133 0.000 2.095 280 F HA -0.200 4.328 4.527 0.001 0.000 0.298 280 F C 2.221 177.935 175.800 -0.144 0.000 1.104 280 F CA 1.329 59.079 58.000 -0.418 0.000 1.232 280 F CB -0.300 38.156 39.000 -0.906 0.000 0.987 280 F HN -0.057 nan 8.300 nan 0.000 0.475 281 L N -0.229 120.862 121.223 -0.221 0.000 2.044 281 L HA -0.143 4.198 4.340 0.001 0.000 0.205 281 L C 2.471 179.100 176.870 -0.402 0.000 1.075 281 L CA 1.579 56.186 54.840 -0.388 0.000 0.747 281 L CB -0.732 40.984 42.059 -0.572 0.000 0.903 281 L HN 0.139 nan 8.230 nan 0.000 0.435 282 E N 0.030 119.943 120.200 -0.478 0.000 2.028 282 E HA -0.136 4.215 4.350 0.001 0.000 0.190 282 E C 1.481 178.037 176.600 -0.073 0.000 0.984 282 E CA 1.015 57.123 56.400 -0.486 0.000 0.800 282 E CB 0.005 29.201 29.700 -0.840 0.000 0.758 282 E HN 0.425 nan 8.360 nan 0.000 0.448 283 N N -1.005 117.680 118.700 -0.025 0.000 2.299 283 N HA 0.027 4.768 4.740 0.001 0.000 0.187 283 N C 0.563 176.000 175.510 -0.122 0.000 1.099 283 N CA 0.570 53.628 53.050 0.014 0.000 0.867 283 N CB 0.413 38.953 38.487 0.090 0.000 0.974 283 N HN 0.192 nan 8.380 nan 0.000 0.477 284 Y N -0.650 119.565 120.300 -0.143 0.000 2.817 284 Y HA 0.214 4.764 4.550 0.001 0.000 0.257 284 Y C 1.703 177.419 175.900 -0.307 0.000 1.055 284 Y CA -0.281 57.704 58.100 -0.192 0.000 1.319 284 Y CB -0.346 38.001 38.460 -0.189 0.000 1.481 284 Y HN -0.142 nan 8.280 nan 0.000 0.471 285 L N 0.432 121.441 121.223 -0.357 0.000 2.007 285 L HA 0.028 4.369 4.340 0.001 0.000 0.205 285 L C 0.830 177.628 176.870 -0.119 0.000 1.073 285 L CA 1.838 56.501 54.840 -0.295 0.000 0.744 285 L CB -0.739 41.108 42.059 -0.353 0.000 0.898 285 L HN 0.127 nan 8.230 nan 0.000 0.435 286 L N 1.461 122.651 121.223 -0.054 0.000 2.650 286 L HA 0.150 4.490 4.340 0.001 0.000 0.239 286 L C -0.069 176.821 176.870 0.033 0.000 1.412 286 L CA -0.048 54.819 54.840 0.045 0.000 1.219 286 L CB -1.489 40.702 42.059 0.220 0.000 1.534 286 L HN 0.450 nan 8.230 nan 0.000 0.430 287 T N -6.360 108.163 114.554 -0.051 0.000 2.887 287 T HA 0.292 4.643 4.350 0.001 0.000 0.292 287 T C 0.607 175.211 174.700 -0.160 0.000 1.087 287 T CA -0.887 61.166 62.100 -0.077 0.000 1.009 287 T CB 1.926 70.736 68.868 -0.097 0.000 1.203 287 T HN -0.032 nan 8.240 nan 0.000 0.518 288 D N 0.642 120.947 120.400 -0.158 0.000 2.123 288 D HA -0.084 4.557 4.640 0.001 0.000 0.196 288 D C 1.753 177.786 176.300 -0.444 0.000 0.992 288 D CA 1.579 55.399 54.000 -0.301 0.000 0.833 288 D CB -0.066 40.689 40.800 -0.075 0.000 0.954 288 D HN 0.735 nan 8.370 nan 0.000 0.455 289 E N 0.245 120.304 120.200 -0.234 0.000 2.072 289 E HA -0.004 4.347 4.350 0.001 0.000 0.190 289 E C 2.204 178.699 176.600 -0.175 0.000 0.982 289 E CA 1.097 57.391 56.400 -0.177 0.000 0.803 289 E CB -0.580 29.059 29.700 -0.101 0.000 0.755 289 E HN 0.296 nan 8.360 nan 0.000 0.453 290 G N 0.918 109.618 108.800 -0.167 0.000 2.414 290 G HA2 -0.211 3.749 3.960 0.001 0.000 0.215 290 G HA3 -0.211 3.749 3.960 0.001 0.000 0.215 290 G C 1.534 176.348 174.900 -0.143 0.000 1.188 290 G CA 0.549 45.575 45.100 -0.125 0.000 0.783 290 G HN 0.131 nan 8.290 nan 0.000 0.537 291 L N 0.302 121.395 121.223 -0.217 0.000 2.131 291 L HA -0.031 4.309 4.340 0.001 0.000 0.210 291 L C 2.729 179.464 176.870 -0.225 0.000 1.092 291 L CA 1.348 56.076 54.840 -0.187 0.000 0.759 291 L CB -0.335 41.626 42.059 -0.164 0.000 0.903 291 L HN 0.394 nan 8.230 nan 0.000 0.435 292 E N 0.634 120.552 120.200 -0.471 0.000 2.077 292 E HA -0.247 4.104 4.350 0.001 0.000 0.193 292 E C 2.252 178.833 176.600 -0.031 0.000 0.989 292 E CA 1.235 57.502 56.400 -0.221 0.000 0.800 292 E CB 0.012 29.568 29.700 -0.240 0.000 0.746 292 E HN 0.440 nan 8.360 nan 0.000 0.452 293 A N 0.509 123.296 122.820 -0.055 0.000 1.908 293 A HA -0.154 4.167 4.320 0.001 0.000 0.218 293 A C 2.397 179.984 177.584 0.004 0.000 1.181 293 A CA 1.663 53.695 52.037 -0.008 0.000 0.627 293 A CB -0.673 18.326 19.000 -0.002 0.000 0.818 293 A HN 0.238 nan 8.150 nan 0.000 0.445 294 V N 0.352 120.264 119.914 -0.003 0.000 2.323 294 V HA -0.223 3.897 4.120 0.001 0.000 0.244 294 V C 2.354 178.466 176.094 0.030 0.000 1.041 294 V CA 2.224 64.524 62.300 -0.000 0.000 1.025 294 V CB -1.125 30.694 31.823 -0.006 0.000 0.656 294 V HN 0.742 nan 8.190 nan 0.000 0.451 295 N N 0.218 118.964 118.700 0.077 0.000 2.166 295 N HA -0.182 4.558 4.740 0.001 0.000 0.186 295 N C 1.808 177.391 175.510 0.121 0.000 1.019 295 N CA 1.302 54.432 53.050 0.134 0.000 0.856 295 N CB -0.139 38.500 38.487 0.252 0.000 0.993 295 N HN 0.399 nan 8.380 nan 0.000 0.426 296 K N -0.172 120.289 120.400 0.102 0.000 2.103 296 K HA -0.165 4.156 4.320 0.001 0.000 0.207 296 K C 1.313 177.946 176.600 0.055 0.000 1.048 296 K CA 1.352 57.690 56.287 0.085 0.000 0.930 296 K CB -0.135 32.405 32.500 0.067 0.000 0.716 296 K HN 0.305 nan 8.250 nan 0.000 0.444 297 D N 0.534 120.948 120.400 0.022 0.000 2.087 297 D HA -0.058 4.583 4.640 0.001 0.000 0.201 297 D C -0.062 176.234 176.300 -0.008 0.000 0.980 297 D CA 1.351 55.337 54.000 -0.023 0.000 0.849 297 D CB 0.398 41.149 40.800 -0.082 0.000 1.001 297 D HN -0.164 nan 8.370 nan 0.000 0.452 298 K N 0.438 120.839 120.400 0.002 0.000 2.507 298 K HA 0.391 4.712 4.320 0.001 0.000 0.251 298 K C -2.651 173.986 176.600 0.062 0.000 0.943 298 K CA -2.175 54.136 56.287 0.039 0.000 0.794 298 K CB 1.943 34.459 32.500 0.025 0.000 1.188 298 K HN -0.017 nan 8.250 nan 0.000 0.428 299 P HA 0.074 nan 4.420 nan 0.000 0.262 299 P C 0.618 177.917 177.300 -0.001 0.000 1.182 299 P CA 0.083 63.218 63.100 0.059 0.000 0.761 299 P CB 0.554 32.297 31.700 0.072 0.000 0.795 300 L N 1.997 123.258 121.223 0.063 0.000 2.341 300 L HA 0.148 4.489 4.340 0.001 0.000 0.214 300 L C 1.566 178.469 176.870 0.054 0.000 1.115 300 L CA 1.169 56.057 54.840 0.080 0.000 0.820 300 L CB -0.677 41.453 42.059 0.118 0.000 0.944 300 L HN 0.754 nan 8.230 nan 0.000 0.452 301 G N -0.101 108.706 108.800 0.011 0.000 2.601 301 G HA2 -0.189 3.771 3.960 0.001 0.000 0.224 301 G HA3 -0.189 3.771 3.960 0.001 0.000 0.224 301 G C -0.283 174.672 174.900 0.091 0.000 1.171 301 G CA -0.282 44.830 45.100 0.020 0.000 1.009 301 G HN 0.340 nan 8.290 nan 0.000 0.589 302 A N 0.849 123.718 122.820 0.080 0.000 2.506 302 A HA 0.726 5.047 4.320 0.001 0.000 0.320 302 A C 0.883 178.527 177.584 0.099 0.000 1.424 302 A CA 0.557 52.635 52.037 0.068 0.000 1.044 302 A CB -0.290 18.718 19.000 0.015 0.000 1.140 302 A HN 2.273 nan 8.150 nan 0.000 0.538 303 V N 0.578 120.572 119.914 0.135 0.000 2.872 303 V HA 0.358 4.479 4.120 0.001 0.000 0.307 303 V C 1.322 177.534 176.094 0.197 0.000 1.072 303 V CA 0.437 62.837 62.300 0.167 0.000 1.148 303 V CB 0.214 32.174 31.823 0.230 0.000 0.954 303 V HN 1.040 nan 8.190 nan 0.000 0.490 304 A N 3.567 126.472 122.820 0.142 0.000 1.969 304 A HA 0.106 4.426 4.320 0.001 0.000 0.218 304 A C 1.228 178.848 177.584 0.060 0.000 1.169 304 A CA 0.784 52.900 52.037 0.131 0.000 0.635 304 A CB -0.484 18.482 19.000 -0.057 0.000 0.810 304 A HN 1.028 nan 8.150 nan 0.000 0.445 305 L N 0.878 122.112 121.223 0.019 0.000 2.433 305 L HA 0.135 4.475 4.340 0.001 0.000 0.275 305 L C 1.105 177.937 176.870 -0.065 0.000 1.128 305 L CA 0.318 55.120 54.840 -0.064 0.000 0.875 305 L CB 0.250 42.307 42.059 -0.003 0.000 1.171 305 L HN 0.276 nan 8.230 nan 0.000 0.463 306 K N 1.635 121.851 120.400 -0.306 0.000 2.074 306 K HA -0.201 4.120 4.320 0.001 0.000 0.209 306 K C 2.011 178.569 176.600 -0.069 0.000 1.048 306 K CA 1.865 57.927 56.287 -0.375 0.000 0.926 306 K CB -0.134 32.063 32.500 -0.505 0.000 0.713 306 K HN 0.915 nan 8.250 nan 0.000 0.444 307 S N 0.249 115.927 115.700 -0.036 0.000 2.356 307 S HA -0.216 4.254 4.470 0.001 0.000 0.223 307 S C 2.061 176.730 174.600 0.116 0.000 1.032 307 S CA 1.082 59.302 58.200 0.033 0.000 1.005 307 S CB -0.641 62.576 63.200 0.029 0.000 0.867 307 S HN 0.352 nan 8.310 nan 0.000 0.449 308 Y N 2.118 122.418 120.300 -0.000 0.000 2.420 308 Y HA 0.191 4.741 4.550 0.001 0.000 0.292 308 Y C 2.615 178.547 175.900 0.054 0.000 1.119 308 Y CA 0.971 59.086 58.100 0.024 0.000 1.229 308 Y CB -0.294 38.180 38.460 0.022 0.000 1.026 308 Y HN 0.256 nan 8.280 nan 0.000 0.554 309 E N 0.862 121.112 120.200 0.083 0.000 2.077 309 E HA -0.221 4.130 4.350 0.001 0.000 0.193 309 E C 1.709 178.317 176.600 0.012 0.000 0.989 309 E CA 1.549 57.986 56.400 0.063 0.000 0.800 309 E CB 0.021 29.880 29.700 0.265 0.000 0.746 309 E HN 0.660 nan 8.360 nan 0.000 0.452 310 E N 0.322 120.547 120.200 0.042 0.000 2.110 310 E HA -0.197 4.154 4.350 0.001 0.000 0.193 310 E C 2.056 178.634 176.600 -0.035 0.000 0.988 310 E CA 1.015 57.427 56.400 0.020 0.000 0.804 310 E CB -0.095 29.626 29.700 0.036 0.000 0.745 310 E HN 0.324 nan 8.360 nan 0.000 0.458 311 E N 0.232 120.385 120.200 -0.079 0.000 2.150 311 E HA -0.179 4.172 4.350 0.001 0.000 0.193 311 E C 1.380 177.874 176.600 -0.176 0.000 0.985 311 E CA 0.694 57.024 56.400 -0.117 0.000 0.814 311 E CB 0.240 29.867 29.700 -0.121 0.000 0.752 311 E HN 0.088 nan 8.360 nan 0.000 0.466 312 L N -0.279 120.798 121.223 -0.245 0.000 2.554 312 L HA 0.246 4.587 4.340 0.001 0.000 0.225 312 L C 1.866 178.680 176.870 -0.093 0.000 1.104 312 L CA 0.710 55.430 54.840 -0.200 0.000 0.866 312 L CB 0.099 41.989 42.059 -0.282 0.000 1.047 312 L HN 0.100 nan 8.230 nan 0.000 0.468 313 A N -0.526 122.252 122.820 -0.069 0.000 2.121 313 A HA -0.168 4.153 4.320 0.001 0.000 0.218 313 A C 2.235 179.795 177.584 -0.040 0.000 1.154 313 A CA 1.152 53.166 52.037 -0.039 0.000 0.679 313 A CB -0.346 18.640 19.000 -0.024 0.000 0.795 313 A HN 0.354 nan 8.150 nan 0.000 0.458 314 K N 0.203 120.575 120.400 -0.047 0.000 2.097 314 K HA -0.115 4.206 4.320 0.001 0.000 0.206 314 K C 0.326 176.890 176.600 -0.059 0.000 1.049 314 K CA 0.705 56.963 56.287 -0.048 0.000 0.933 314 K CB -0.209 32.263 32.500 -0.047 0.000 0.717 314 K HN 0.404 nan 8.250 nan 0.000 0.442 315 D N 1.522 121.884 120.400 -0.063 0.000 2.502 315 D HA -0.050 4.590 4.640 0.001 0.000 0.249 315 D C -1.594 174.649 176.300 -0.096 0.000 1.188 315 D CA -1.284 52.666 54.000 -0.084 0.000 0.890 315 D CB 1.089 41.850 40.800 -0.064 0.000 1.140 315 D HN 0.025 nan 8.370 nan 0.000 0.505 316 P HA -0.079 nan 4.420 nan 0.000 0.223 316 P C 1.104 178.315 177.300 -0.149 0.000 1.151 316 P CA 0.710 63.738 63.100 -0.120 0.000 0.787 316 P CB 0.389 32.012 31.700 -0.129 0.000 0.788 317 R N -0.401 119.943 120.500 -0.260 0.000 2.066 317 R HA -0.013 4.327 4.340 0.001 0.000 0.232 317 R C 2.328 178.587 176.300 -0.068 0.000 1.131 317 R CA 1.038 56.898 56.100 -0.400 0.000 0.955 317 R CB -0.688 28.951 30.300 -1.101 0.000 0.851 317 R HN 0.152 nan 8.270 nan 0.000 0.432 318 I N 1.066 121.655 120.570 0.033 0.000 2.315 318 I HA -0.172 3.999 4.170 0.001 0.000 0.248 318 I C 2.541 178.700 176.117 0.069 0.000 1.117 318 I CA 1.200 62.599 61.300 0.165 0.000 1.404 318 I CB -1.410 36.659 38.000 0.115 0.000 1.071 318 I HN 0.140 nan 8.210 nan 0.000 0.419 319 A N 1.132 123.956 122.820 0.006 0.000 1.908 319 A HA -0.143 4.178 4.320 0.001 0.000 0.218 319 A C 2.585 180.168 177.584 -0.002 0.000 1.181 319 A CA 2.139 54.168 52.037 -0.013 0.000 0.627 319 A CB -0.744 18.236 19.000 -0.034 0.000 0.818 319 A HN 0.419 nan 8.150 nan 0.000 0.445 320 A N -1.198 121.626 122.820 0.007 0.000 1.898 320 A HA -0.043 4.278 4.320 0.001 0.000 0.216 320 A C 2.288 179.903 177.584 0.052 0.000 1.181 320 A CA 2.179 54.229 52.037 0.021 0.000 0.620 320 A CB -1.252 17.759 19.000 0.018 0.000 0.819 320 A HN 0.427 nan 8.150 nan 0.000 0.442 321 T N 0.261 114.879 114.554 0.106 0.000 2.665 321 T HA -0.176 4.174 4.350 0.001 0.000 0.268 321 T C 1.922 176.652 174.700 0.051 0.000 1.035 321 T CA 1.816 63.982 62.100 0.110 0.000 1.151 321 T CB -0.266 68.701 68.868 0.165 0.000 0.862 321 T HN 0.290 nan 8.240 nan 0.000 0.438 322 M N 0.836 120.450 119.600 0.025 0.000 2.254 322 M HA 0.049 4.530 4.480 0.001 0.000 0.265 322 M C 2.254 178.536 176.300 -0.030 0.000 1.066 322 M CA 1.085 56.371 55.300 -0.023 0.000 1.123 322 M CB -1.071 31.497 32.600 -0.054 0.000 1.388 322 M HN 0.385 nan 8.290 nan 0.000 0.425 323 E N 0.608 120.798 120.200 -0.016 0.000 2.051 323 E HA -0.201 4.150 4.350 0.001 0.000 0.192 323 E C 1.775 178.369 176.600 -0.010 0.000 0.991 323 E CA 1.248 57.636 56.400 -0.019 0.000 0.799 323 E CB 0.160 29.851 29.700 -0.016 0.000 0.748 323 E HN 0.419 nan 8.360 nan 0.000 0.449 324 N N 0.373 119.076 118.700 0.005 0.000 2.142 324 N HA -0.132 4.609 4.740 0.001 0.000 0.186 324 N C 1.743 177.267 175.510 0.024 0.000 1.023 324 N CA 1.259 54.317 53.050 0.013 0.000 0.852 324 N CB -0.435 38.063 38.487 0.019 0.000 0.998 324 N HN 0.250 nan 8.380 nan 0.000 0.424 325 A N 1.037 123.873 122.820 0.027 0.000 1.917 325 A HA -0.226 4.095 4.320 0.001 0.000 0.219 325 A C 2.254 179.845 177.584 0.012 0.000 1.182 325 A CA 1.590 53.650 52.037 0.039 0.000 0.633 325 A CB -0.653 18.358 19.000 0.017 0.000 0.819 325 A HN 0.216 nan 8.150 nan 0.000 0.448 326 Q N -0.164 119.621 119.800 -0.026 0.000 2.061 326 Q HA -0.120 4.220 4.340 0.001 0.000 0.204 326 Q C 1.924 177.920 176.000 -0.007 0.000 0.984 326 Q CA 2.114 57.893 55.803 -0.040 0.000 0.846 326 Q CB -0.217 28.491 28.738 -0.050 0.000 0.902 326 Q HN 0.706 nan 8.270 nan 0.000 0.421 327 K N -0.791 119.611 120.400 0.003 0.000 2.366 327 K HA 0.081 4.402 4.320 0.001 0.000 0.198 327 K C 0.921 177.535 176.600 0.023 0.000 1.044 327 K CA 0.531 56.824 56.287 0.008 0.000 0.973 327 K CB 0.122 32.624 32.500 0.004 0.000 0.767 327 K HN 0.217 nan 8.250 nan 0.000 0.475 328 G N 0.637 109.464 108.800 0.044 0.000 2.543 328 G HA2 0.229 4.189 3.960 0.001 0.000 0.267 328 G HA3 0.229 4.189 3.960 0.001 0.000 0.267 328 G C -1.026 173.940 174.900 0.111 0.000 1.406 328 G CA -0.278 44.863 45.100 0.068 0.000 1.048 328 G HN -0.014 nan 8.290 nan 0.000 0.548 329 E N -1.315 118.987 120.200 0.171 0.000 2.266 329 E HA 0.461 4.812 4.350 0.001 0.000 0.268 329 E C -0.566 176.301 176.600 0.445 0.000 0.879 329 E CA -0.737 55.820 56.400 0.261 0.000 0.762 329 E CB 2.147 31.991 29.700 0.242 0.000 1.199 329 E HN 0.382 nan 8.360 nan 0.000 0.422 330 I N 3.718 124.545 120.570 0.428 0.000 2.588 330 I HA 0.117 4.287 4.170 0.001 0.000 0.283 330 I C -0.033 176.388 176.117 0.506 0.000 1.119 330 I CA -0.217 61.367 61.300 0.474 0.000 1.419 330 I CB 0.388 38.602 38.000 0.357 0.000 1.394 330 I HN 0.577 nan 8.210 nan 0.000 0.562 331 M N 8.833 128.705 119.600 0.454 0.000 2.239 331 M HA 0.189 4.670 4.480 0.001 0.000 0.348 331 M C -2.146 174.214 176.300 0.101 0.000 1.239 331 M CA -1.270 54.036 55.300 0.011 0.000 1.114 331 M CB -0.012 32.439 32.600 -0.248 0.000 1.641 331 M HN 0.356 nan 8.290 nan 0.000 0.453 332 P HA 0.032 nan 4.420 nan 0.000 0.270 332 P C -0.390 176.822 177.300 -0.146 0.000 1.223 332 P CA -0.064 62.916 63.100 -0.199 0.000 0.785 332 P CB 0.346 31.609 31.700 -0.728 0.000 0.923 333 N N 1.173 119.867 118.700 -0.009 0.000 2.204 333 N HA 0.045 4.786 4.740 0.001 0.000 0.219 333 N C 0.310 175.790 175.510 -0.050 0.000 1.151 333 N CA -0.295 52.749 53.050 -0.010 0.000 0.867 333 N CB -0.773 37.806 38.487 0.154 0.000 1.043 333 N HN 0.405 nan 8.380 nan 0.000 0.516 334 I N -2.431 118.092 120.570 -0.079 0.000 2.754 334 I HA 0.254 4.425 4.170 0.001 0.000 0.285 334 I C -1.519 174.504 176.117 -0.156 0.000 1.166 334 I CA -1.550 59.717 61.300 -0.056 0.000 1.417 334 I CB 0.421 38.331 38.000 -0.149 0.000 1.382 334 I HN -0.294 nan 8.210 nan 0.000 0.588 335 P HA -0.173 nan 4.420 nan 0.000 0.218 335 P C 0.970 178.199 177.300 -0.120 0.000 1.146 335 P CA 1.414 64.428 63.100 -0.143 0.000 0.813 335 P CB 0.016 31.663 31.700 -0.088 0.000 0.778 336 Q N -2.031 117.668 119.800 -0.169 0.000 2.515 336 Q HA 0.044 4.385 4.340 0.001 0.000 0.212 336 Q C 1.825 177.825 176.000 0.001 0.000 0.970 336 Q CA 0.749 56.467 55.803 -0.142 0.000 0.941 336 Q CB -0.695 27.828 28.738 -0.358 0.000 0.998 336 Q HN 0.227 nan 8.270 nan 0.000 0.518 337 M N -0.383 119.195 119.600 -0.036 0.000 2.175 337 M HA -0.110 4.370 4.480 0.001 0.000 0.264 337 M C 1.994 178.410 176.300 0.194 0.000 1.063 337 M CA 1.626 56.955 55.300 0.047 0.000 1.119 337 M CB -0.974 31.589 32.600 -0.061 0.000 1.377 337 M HN 0.318 nan 8.290 nan 0.000 0.415 338 S N 0.577 116.382 115.700 0.176 0.000 2.382 338 S HA -0.046 4.424 4.470 0.001 0.000 0.228 338 S C 2.127 176.869 174.600 0.237 0.000 1.027 338 S CA 1.131 59.471 58.200 0.234 0.000 0.991 338 S CB -0.738 62.517 63.200 0.092 0.000 0.823 338 S HN 0.434 nan 8.310 nan 0.000 0.469 339 A N 1.677 124.609 122.820 0.186 0.000 1.902 339 A HA 0.040 4.361 4.320 0.001 0.000 0.217 339 A C 1.951 179.687 177.584 0.254 0.000 1.181 339 A CA 1.504 53.665 52.037 0.207 0.000 0.623 339 A CB -1.147 17.955 19.000 0.170 0.000 0.818 339 A HN 0.583 nan 8.150 nan 0.000 0.443 340 F N -0.737 119.269 119.950 0.093 0.000 2.069 340 F HA -0.225 4.303 4.527 0.001 0.000 0.298 340 F C 2.036 177.760 175.800 -0.128 0.000 1.113 340 F CA 1.879 59.813 58.000 -0.110 0.000 1.214 340 F CB -0.605 38.212 39.000 -0.305 0.000 0.978 340 F HN 0.400 nan 8.300 nan 0.000 0.474 341 W N -1.109 120.105 121.300 -0.144 0.000 2.358 341 W HA -0.211 4.449 4.660 0.001 0.000 0.303 341 W C 2.524 178.951 176.519 -0.153 0.000 1.208 341 W CA 1.266 58.462 57.345 -0.248 0.000 1.274 341 W CB -0.981 28.474 29.460 -0.009 0.000 1.138 341 W HN 0.229 nan 8.180 nan 0.000 0.515 342 Y N 1.341 121.713 120.300 0.121 0.000 2.128 342 Y HA -0.303 4.247 4.550 0.001 0.000 0.284 342 Y C 2.300 178.199 175.900 -0.001 0.000 1.154 342 Y CA 2.292 60.424 58.100 0.055 0.000 1.149 342 Y CB -0.943 37.543 38.460 0.044 0.000 0.976 342 Y HN -0.086 nan 8.280 nan 0.000 0.505 343 A N -0.261 122.519 122.820 -0.066 0.000 1.865 343 A HA -0.195 4.126 4.320 0.001 0.000 0.217 343 A C 2.337 179.770 177.584 -0.251 0.000 1.191 343 A CA 2.511 54.452 52.037 -0.160 0.000 0.623 343 A CB -1.410 17.566 19.000 -0.040 0.000 0.826 343 A HN 0.364 nan 8.150 nan 0.000 0.444 344 V N 0.049 119.782 119.914 -0.301 0.000 2.358 344 V HA -0.220 3.900 4.120 0.001 0.000 0.246 344 V C 2.634 178.680 176.094 -0.079 0.000 1.047 344 V CA 2.065 64.246 62.300 -0.199 0.000 1.035 344 V CB -0.865 30.764 31.823 -0.324 0.000 0.658 344 V HN 0.610 nan 8.190 nan 0.000 0.452 345 R N 0.179 120.635 120.500 -0.073 0.000 2.094 345 R HA -0.205 4.136 4.340 0.001 0.000 0.239 345 R C 2.352 178.582 176.300 -0.117 0.000 1.137 345 R CA 2.408 58.485 56.100 -0.037 0.000 0.943 345 R CB -0.630 29.652 30.300 -0.030 0.000 0.850 345 R HN 0.550 nan 8.270 nan 0.000 0.433 346 T N 0.721 115.107 114.554 -0.279 0.000 2.708 346 T HA -0.101 4.249 4.350 0.001 0.000 0.266 346 T C 1.854 176.469 174.700 -0.142 0.000 1.037 346 T CA 1.370 63.306 62.100 -0.273 0.000 1.146 346 T CB -0.333 68.227 68.868 -0.514 0.000 0.865 346 T HN 0.463 nan 8.240 nan 0.000 0.435 347 A N 1.103 123.849 122.820 -0.125 0.000 1.883 347 A HA -0.075 4.245 4.320 0.001 0.000 0.217 347 A C 2.611 180.177 177.584 -0.031 0.000 1.186 347 A CA 1.577 53.578 52.037 -0.061 0.000 0.624 347 A CB -1.126 17.847 19.000 -0.045 0.000 0.822 347 A HN 0.345 nan 8.150 nan 0.000 0.444 348 V N 0.129 120.036 119.914 -0.013 0.000 2.343 348 V HA -0.267 3.853 4.120 0.001 0.000 0.247 348 V C 2.435 178.526 176.094 -0.005 0.000 1.051 348 V CA 2.021 64.328 62.300 0.011 0.000 1.036 348 V CB -0.683 31.176 31.823 0.059 0.000 0.654 348 V HN 0.564 nan 8.190 nan 0.000 0.451 349 I N 0.456 121.017 120.570 -0.015 0.000 2.179 349 I HA -0.234 3.937 4.170 0.001 0.000 0.242 349 I C 2.369 178.472 176.117 -0.023 0.000 1.088 349 I CA 1.552 62.840 61.300 -0.020 0.000 1.357 349 I CB -0.464 37.521 38.000 -0.025 0.000 1.051 349 I HN 0.365 nan 8.210 nan 0.000 0.409 350 N N 0.995 119.679 118.700 -0.027 0.000 2.188 350 N HA -0.097 4.643 4.740 0.001 0.000 0.184 350 N C 1.851 177.350 175.510 -0.020 0.000 1.018 350 N CA 1.533 54.570 53.050 -0.022 0.000 0.858 350 N CB -0.394 38.080 38.487 -0.021 0.000 0.989 350 N HN 0.346 nan 8.380 nan 0.000 0.426 351 A N 0.949 123.757 122.820 -0.020 0.000 1.873 351 A HA 0.082 4.402 4.320 0.001 0.000 0.215 351 A C 2.318 179.888 177.584 -0.023 0.000 1.186 351 A CA 1.826 53.851 52.037 -0.019 0.000 0.616 351 A CB -0.875 18.115 19.000 -0.017 0.000 0.823 351 A HN 0.291 nan 8.150 nan 0.000 0.442 352 A N 0.279 123.085 122.820 -0.024 0.000 1.972 352 A HA -0.061 4.260 4.320 0.001 0.000 0.219 352 A C 2.363 179.927 177.584 -0.032 0.000 1.169 352 A CA 2.139 54.158 52.037 -0.031 0.000 0.635 352 A CB -0.798 18.183 19.000 -0.033 0.000 0.810 352 A HN 0.997 nan 8.150 nan 0.000 0.446 353 S N -1.928 113.755 115.700 -0.028 0.000 2.562 353 S HA 0.343 4.814 4.470 0.001 0.000 0.221 353 S C 1.480 176.065 174.600 -0.025 0.000 0.975 353 S CA 1.050 59.234 58.200 -0.027 0.000 0.918 353 S CB -0.407 62.779 63.200 -0.023 0.000 0.772 353 S HN 1.893 nan 8.310 nan 0.000 0.531 354 G N 1.719 110.504 108.800 -0.025 0.000 2.155 354 G HA2 -0.357 3.604 3.960 0.001 0.000 0.257 354 G HA3 -0.357 3.604 3.960 0.001 0.000 0.257 354 G C 0.752 175.640 174.900 -0.020 0.000 0.983 354 G CA 0.490 45.576 45.100 -0.023 0.000 0.676 354 G HN 0.571 nan 8.290 nan 0.000 0.528 355 R N -0.697 119.792 120.500 -0.018 0.000 2.153 355 R HA 0.199 4.539 4.340 0.001 0.000 0.218 355 R C 1.107 177.398 176.300 -0.016 0.000 1.072 355 R CA 1.732 57.822 56.100 -0.016 0.000 0.990 355 R CB 0.076 30.368 30.300 -0.013 0.000 0.889 355 R HN 0.471 nan 8.270 nan 0.000 0.452 356 Q N -0.560 119.231 119.800 -0.015 0.000 2.456 356 Q HA 0.193 4.533 4.340 0.001 0.000 0.284 356 Q C -1.224 174.768 176.000 -0.013 0.000 1.061 356 Q CA -0.732 55.063 55.803 -0.014 0.000 0.799 356 Q CB 2.071 30.802 28.738 -0.011 0.000 1.445 356 Q HN 0.134 nan 8.270 nan 0.000 0.411 357 T N -1.462 113.086 114.554 -0.011 0.000 2.828 357 T HA 0.258 4.609 4.350 0.001 0.000 0.290 357 T C 1.030 175.726 174.700 -0.007 0.000 1.019 357 T CA -0.216 61.879 62.100 -0.008 0.000 1.031 357 T CB 0.584 69.449 68.868 -0.005 0.000 1.001 357 T HN 0.366 nan 8.240 nan 0.000 0.531 358 V N 1.083 120.994 119.914 -0.006 0.000 2.343 358 V HA -0.137 3.983 4.120 0.001 0.000 0.247 358 V C 2.697 178.790 176.094 -0.001 0.000 1.051 358 V CA 2.153 64.450 62.300 -0.005 0.000 1.036 358 V CB -0.835 30.985 31.823 -0.005 0.000 0.654 358 V HN 1.040 nan 8.190 nan 0.000 0.451 359 D N 0.187 120.589 120.400 0.003 0.000 2.097 359 D HA -0.161 4.480 4.640 0.001 0.000 0.195 359 D C 2.156 178.461 176.300 0.009 0.000 0.989 359 D CA 1.737 55.741 54.000 0.008 0.000 0.827 359 D CB 0.204 41.010 40.800 0.010 0.000 0.966 359 D HN 0.411 nan 8.370 nan 0.000 0.456 360 A N 0.834 123.658 122.820 0.007 0.000 1.929 360 A HA 0.081 4.402 4.320 0.001 0.000 0.216 360 A C 2.359 179.948 177.584 0.009 0.000 1.176 360 A CA 1.854 53.897 52.037 0.009 0.000 0.628 360 A CB -0.586 18.416 19.000 0.003 0.000 0.816 360 A HN 0.309 nan 8.150 nan 0.000 0.444 361 A N -0.160 122.661 122.820 0.002 0.000 1.877 361 A HA -0.021 4.299 4.320 0.001 0.000 0.216 361 A C 2.147 179.731 177.584 -0.001 0.000 1.186 361 A CA 1.492 53.527 52.037 -0.003 0.000 0.620 361 A CB -0.555 18.439 19.000 -0.010 0.000 0.822 361 A HN 0.452 nan 8.150 nan 0.000 0.443 362 L N -1.025 120.199 121.223 0.002 0.000 2.179 362 L HA -0.092 4.249 4.340 0.001 0.000 0.208 362 L C 3.070 179.947 176.870 0.012 0.000 1.096 362 L CA 0.755 55.598 54.840 0.005 0.000 0.779 362 L CB -0.525 41.536 42.059 0.002 0.000 0.922 362 L HN 0.446 nan 8.230 nan 0.000 0.443 363 A N 0.382 123.213 122.820 0.018 0.000 1.908 363 A HA -0.208 4.113 4.320 0.001 0.000 0.218 363 A C 2.505 180.113 177.584 0.040 0.000 1.181 363 A CA 1.869 53.925 52.037 0.031 0.000 0.627 363 A CB -0.641 18.380 19.000 0.035 0.000 0.818 363 A HN 0.395 nan 8.150 nan 0.000 0.445 364 A N -0.418 122.424 122.820 0.036 0.000 1.969 364 A HA 0.245 4.566 4.320 0.001 0.000 0.218 364 A C 2.440 180.050 177.584 0.042 0.000 1.169 364 A CA 1.778 53.842 52.037 0.045 0.000 0.635 364 A CB -0.844 18.181 19.000 0.042 0.000 0.810 364 A HN 1.020 nan 8.150 nan 0.000 0.445 365 A N -0.266 122.566 122.820 0.020 0.000 1.933 365 A HA -0.179 4.141 4.320 0.001 0.000 0.218 365 A C 2.139 179.738 177.584 0.024 0.000 1.175 365 A CA 2.085 54.124 52.037 0.004 0.000 0.628 365 A CB -0.534 18.451 19.000 -0.025 0.000 0.814 365 A HN 0.613 nan 8.150 nan 0.000 0.444 366 Q N 0.039 119.856 119.800 0.028 0.000 2.045 366 Q HA -0.167 4.173 4.340 0.001 0.000 0.206 366 Q C 1.889 177.929 176.000 0.066 0.000 0.991 366 Q CA 3.053 58.880 55.803 0.039 0.000 0.851 366 Q CB -1.190 27.571 28.738 0.038 0.000 0.911 366 Q HN 0.499 nan 8.270 nan 0.000 0.418 367 T N 1.047 115.640 114.554 0.065 0.000 2.708 367 T HA -0.112 4.239 4.350 0.001 0.000 0.266 367 T C 1.613 176.356 174.700 0.072 0.000 1.037 367 T CA 1.259 63.395 62.100 0.061 0.000 1.146 367 T CB -0.449 68.452 68.868 0.053 0.000 0.865 367 T HN 0.336 nan 8.240 nan 0.000 0.435 368 N N 1.400 120.155 118.700 0.092 0.000 2.043 368 N HA -0.047 4.694 4.740 0.001 0.000 0.193 368 N C 2.127 177.727 175.510 0.150 0.000 1.037 368 N CA 1.575 54.706 53.050 0.135 0.000 0.851 368 N CB -0.679 37.929 38.487 0.201 0.000 1.027 368 N HN 0.435 nan 8.380 nan 0.000 0.422 369 A N 0.476 123.386 122.820 0.150 0.000 1.933 369 A HA 0.039 4.360 4.320 0.001 0.000 0.218 369 A C 2.292 180.034 177.584 0.263 0.000 1.175 369 A CA 2.005 54.171 52.037 0.216 0.000 0.628 369 A CB -0.736 18.367 19.000 0.171 0.000 0.814 369 A HN 0.351 nan 8.150 nan 0.000 0.444 370 A N -1.196 121.742 122.820 0.197 0.000 1.930 370 A HA 0.402 4.723 4.320 0.001 0.000 0.215 370 A C 2.135 179.781 177.584 0.105 0.000 1.176 370 A CA 1.858 54.005 52.037 0.185 0.000 0.632 370 A CB -0.400 18.686 19.000 0.143 0.000 0.819 370 A HN 1.141 nan 8.150 nan 0.000 0.445 371 A N -1.797 121.063 122.820 0.067 0.000 2.312 371 A HA 0.554 4.875 4.320 0.001 0.000 0.215 371 A C 0.215 177.808 177.584 0.016 0.000 1.256 371 A CA 0.282 52.328 52.037 0.015 0.000 0.966 371 A CB 0.584 19.558 19.000 -0.043 0.000 1.053 371 A HN 0.282 nan 8.150 nan 0.000 0.510 372 V N 0.323 120.261 119.914 0.040 0.000 2.680 372 V HA 0.501 4.621 4.120 0.001 0.000 0.309 372 V C -0.478 175.616 176.094 0.000 0.000 1.052 372 V CA -0.713 61.599 62.300 0.020 0.000 0.908 372 V CB 1.865 33.705 31.823 0.028 0.000 1.001 372 V HN 0.321 nan 8.190 nan 0.000 0.431 373 K N 2.585 122.959 120.400 -0.042 0.000 2.545 373 K HA 0.682 5.002 4.320 0.001 0.000 0.252 373 K C -1.704 174.806 176.600 -0.151 0.000 0.948 373 K CA -0.401 55.836 56.287 -0.083 0.000 0.827 373 K CB 1.961 34.437 32.500 -0.040 0.000 1.128 373 K HN 0.508 nan 8.250 nan 0.000 0.429 374 V N 3.518 123.252 119.914 -0.300 0.000 2.394 374 V HA 0.339 4.460 4.120 0.001 0.000 0.282 374 V C -0.393 175.565 176.094 -0.227 0.000 1.031 374 V CA -0.614 61.484 62.300 -0.336 0.000 0.881 374 V CB 1.410 32.829 31.823 -0.672 0.000 0.982 374 V HN 0.773 nan 8.190 nan 0.000 0.451 375 E N 3.396 123.516 120.200 -0.133 0.000 2.191 375 E HA 0.441 4.791 4.350 0.001 0.000 0.263 375 E C -1.487 175.079 176.600 -0.057 0.000 0.881 375 E CA -0.518 55.830 56.400 -0.086 0.000 0.757 375 E CB 1.406 31.073 29.700 -0.056 0.000 1.147 375 E HN 0.758 nan 8.360 nan 0.000 0.414 376 c N 6.090 124.657 118.600 -0.055 0.000 2.255 376 c HA 0.519 5.090 4.570 0.001 0.000 0.326 376 c C 0.200 174.329 174.090 0.065 0.000 1.258 376 c CA -0.661 55.665 56.329 -0.005 0.000 1.676 376 c CB -1.033 41.397 42.510 -0.133 0.000 2.314 376 c HN 0.642 nan 8.230 nan 0.000 0.509 377 L N 1.751 123.039 121.223 0.109 0.000 2.341 377 L HA 0.451 4.792 4.340 0.001 0.000 0.267 377 L C 1.580 178.513 176.870 0.104 0.000 1.022 377 L CA -0.701 54.192 54.840 0.089 0.000 0.844 377 L CB 0.380 42.452 42.059 0.022 0.000 1.436 377 L HN 0.608 nan 8.230 nan 0.000 0.483 378 E N 0.650 120.860 120.200 0.017 0.000 2.028 378 E HA -0.277 4.074 4.350 0.001 0.000 0.217 378 E C 1.181 177.651 176.600 -0.217 0.000 1.039 378 E CA 2.163 58.515 56.400 -0.080 0.000 0.882 378 E CB -0.108 29.548 29.700 -0.073 0.000 0.794 378 E HN 0.686 nan 8.360 nan 0.000 0.488 379 A N 0.111 122.834 122.820 -0.161 0.000 2.465 379 A HA 0.154 4.475 4.320 0.001 0.000 0.255 379 A C 0.259 177.766 177.584 -0.127 0.000 1.274 379 A CA -0.190 51.730 52.037 -0.196 0.000 0.920 379 A CB 0.455 19.367 19.000 -0.147 0.000 1.033 379 A HN 0.143 nan 8.150 nan 0.000 0.516 380 E N -0.570 119.587 120.200 -0.072 0.000 2.336 380 E HA 0.610 4.960 4.350 0.001 0.000 0.267 380 E C -2.065 174.536 176.600 0.003 0.000 0.906 380 E CA -0.757 55.624 56.400 -0.031 0.000 0.781 380 E CB 1.990 31.676 29.700 -0.023 0.000 1.261 380 E HN 0.201 nan 8.360 nan 0.000 0.436 381 L N 2.458 123.683 121.223 0.003 0.000 2.431 381 L HA 0.490 4.831 4.340 0.001 0.000 0.266 381 L C -1.868 175.007 176.870 0.010 0.000 0.978 381 L CA -0.654 54.191 54.840 0.008 0.000 0.822 381 L CB 1.922 43.983 42.059 0.004 0.000 1.310 381 L HN 0.278 nan 8.230 nan 0.000 0.409 382 V N 5.170 125.083 119.914 -0.000 0.000 2.448 382 V HA 0.636 4.757 4.120 0.001 0.000 0.295 382 V C -0.612 175.484 176.094 0.004 0.000 1.025 382 V CA -0.694 61.614 62.300 0.014 0.000 0.859 382 V CB 1.745 33.568 31.823 0.000 0.000 0.988 382 V HN 0.530 nan 8.190 nan 0.000 0.431 383 V N 3.562 123.513 119.914 0.062 0.000 2.409 383 V HA 0.487 4.607 4.120 0.001 0.000 0.291 383 V C 0.109 176.287 176.094 0.140 0.000 1.020 383 V CA -0.286 62.044 62.300 0.051 0.000 0.848 383 V CB 1.956 33.779 31.823 -0.000 0.000 0.990 383 V HN 0.938 nan 8.190 nan 0.000 0.430 384 T N 4.624 119.215 114.554 0.062 0.000 2.758 384 T HA 0.596 4.946 4.350 0.001 0.000 0.285 384 T C -0.296 174.439 174.700 0.058 0.000 0.981 384 T CA -0.397 61.741 62.100 0.064 0.000 0.965 384 T CB 1.477 70.353 68.868 0.014 0.000 0.927 384 T HN 0.356 nan 8.240 nan 0.000 0.448 385 V N 2.866 122.833 119.914 0.088 0.000 2.448 385 V HA 0.369 4.490 4.120 0.001 0.000 0.295 385 V C 0.484 176.584 176.094 0.011 0.000 1.025 385 V CA -0.950 61.383 62.300 0.056 0.000 0.859 385 V CB 1.826 33.715 31.823 0.111 0.000 0.988 385 V HN 0.928 nan 8.190 nan 0.000 0.431 386 S N 4.106 119.794 115.700 -0.020 0.000 2.525 386 S HA 0.139 4.609 4.470 0.001 0.000 0.285 386 S C 1.354 175.908 174.600 -0.076 0.000 1.283 386 S CA -0.277 57.899 58.200 -0.039 0.000 1.072 386 S CB 0.378 63.554 63.200 -0.039 0.000 0.867 386 S HN 0.687 nan 8.310 nan 0.000 0.492 387 R N 1.879 122.344 120.500 -0.058 0.000 2.115 387 R HA -0.067 4.274 4.340 0.001 0.000 0.230 387 R C 0.397 176.640 176.300 -0.095 0.000 1.111 387 R CA 0.836 56.894 56.100 -0.070 0.000 0.976 387 R CB -0.087 30.194 30.300 -0.031 0.000 0.870 387 R HN 0.524 nan 8.270 nan 0.000 0.445 388 D N 1.080 121.440 120.400 -0.066 0.000 2.600 388 D HA -0.020 4.620 4.640 0.001 0.000 0.226 388 D C 0.829 177.051 176.300 -0.129 0.000 1.119 388 D CA -0.088 53.881 54.000 -0.053 0.000 1.051 388 D CB 0.332 41.129 40.800 -0.006 0.000 1.106 388 D HN -0.064 nan 8.370 nan 0.000 0.491 389 L N 1.958 122.987 121.223 -0.323 0.000 2.109 389 L HA 0.022 4.363 4.340 0.001 0.000 0.207 389 L C 1.104 177.655 176.870 -0.532 0.000 1.086 389 L CA 1.726 56.229 54.840 -0.562 0.000 0.760 389 L CB -0.347 41.098 42.059 -1.024 0.000 0.910 389 L HN 0.305 nan 8.230 nan 0.000 0.437 390 F N -1.025 118.922 119.950 -0.006 0.000 2.582 390 F HA 0.422 4.949 4.527 0.001 0.000 0.290 390 F C 1.988 177.808 175.800 0.033 0.000 1.115 390 F CA 0.490 58.502 58.000 0.020 0.000 1.445 390 F CB -0.441 38.572 39.000 0.022 0.000 1.126 390 F HN 0.100 nan 8.300 nan 0.000 0.574 391 G N -0.399 108.499 108.800 0.164 0.000 2.179 391 G HA2 -0.282 3.679 3.960 0.001 0.000 0.220 391 G HA3 -0.282 3.679 3.960 0.001 0.000 0.220 391 G C 1.090 176.062 174.900 0.120 0.000 0.990 391 G CA 0.478 45.651 45.100 0.121 0.000 0.646 391 G HN 0.233 nan 8.290 nan 0.000 0.517 392 T N 0.256 114.906 114.554 0.160 0.000 2.915 392 T HA 0.303 4.654 4.350 0.001 0.000 0.269 392 T C 2.474 177.226 174.700 0.088 0.000 1.071 392 T CA 2.300 64.472 62.100 0.120 0.000 1.132 392 T CB -0.281 68.667 68.868 0.134 0.000 0.878 392 T HN 2.078 nan 8.240 nan 0.000 0.479 393 G N 1.291 110.143 108.800 0.086 0.000 2.194 393 G HA2 -0.256 3.705 3.960 0.001 0.000 0.236 393 G HA3 -0.256 3.705 3.960 0.001 0.000 0.236 393 G C 0.146 175.086 174.900 0.066 0.000 0.987 393 G CA 0.128 45.265 45.100 0.061 0.000 0.635 393 G HN 0.595 nan 8.290 nan 0.000 0.520 394 K N 1.283 121.740 120.400 0.095 0.000 2.316 394 K HA 0.564 4.885 4.320 0.001 0.000 0.289 394 K C 0.580 177.242 176.600 0.104 0.000 1.070 394 K CA -0.621 55.727 56.287 0.102 0.000 0.928 394 K CB 0.073 32.649 32.500 0.126 0.000 1.039 394 K HN 0.251 nan 8.250 nan 0.000 0.480 395 L N 5.743 127.008 121.223 0.069 0.000 2.331 395 L HA 0.189 4.529 4.340 0.001 0.000 0.278 395 L C 0.488 177.394 176.870 0.059 0.000 1.106 395 L CA -0.995 53.870 54.840 0.042 0.000 0.824 395 L CB 0.997 43.072 42.059 0.027 0.000 1.142 395 L HN 0.451 nan 8.230 nan 0.000 0.443 396 V N 1.272 121.196 119.914 0.017 0.000 2.963 396 V HA 0.170 4.291 4.120 0.001 0.000 0.306 396 V C 0.113 176.260 176.094 0.090 0.000 1.077 396 V CA -0.658 61.678 62.300 0.060 0.000 1.124 396 V CB 0.629 32.372 31.823 -0.134 0.000 0.987 396 V HN 0.816 nan 8.190 nan 0.000 0.487 397 Q N 4.224 124.116 119.800 0.153 0.000 2.235 397 Q HA 0.356 4.697 4.340 0.001 0.000 0.250 397 Q C -1.594 174.480 176.000 0.122 0.000 0.909 397 Q CA -1.787 54.082 55.803 0.110 0.000 0.910 397 Q CB 1.768 30.567 28.738 0.102 0.000 1.223 397 Q HN 0.636 nan 8.270 nan 0.000 0.432 398 P HA -0.168 nan 4.420 nan 0.000 0.218 398 P C 1.002 178.360 177.300 0.097 0.000 1.149 398 P CA 1.329 64.463 63.100 0.056 0.000 0.817 398 P CB 0.118 31.800 31.700 -0.030 0.000 0.785 399 G N 0.229 109.075 108.800 0.077 0.000 2.470 399 G HA2 -0.188 3.772 3.960 0.001 0.000 0.220 399 G HA3 -0.188 3.772 3.960 0.001 0.000 0.220 399 G C 0.998 175.953 174.900 0.092 0.000 1.121 399 G CA 0.535 45.680 45.100 0.076 0.000 0.766 399 G HN 0.201 nan 8.290 nan 0.000 0.553 400 D N -0.180 120.291 120.400 0.118 0.000 2.340 400 D HA 0.132 4.772 4.640 0.001 0.000 0.220 400 D C 0.745 177.137 176.300 0.154 0.000 1.039 400 D CA 0.111 54.160 54.000 0.082 0.000 0.866 400 D CB 0.507 41.334 40.800 0.045 0.000 0.913 400 D HN 0.234 nan 8.370 nan 0.000 0.523 401 L N 0.422 121.797 121.223 0.253 0.000 2.307 401 L HA 0.380 4.720 4.340 0.001 0.000 0.284 401 L C -0.088 176.946 176.870 0.273 0.000 1.023 401 L CA -0.106 54.919 54.840 0.308 0.000 0.810 401 L CB 1.995 44.321 42.059 0.444 0.000 1.231 401 L HN -0.310 nan 8.230 nan 0.000 0.423 402 T N 3.779 118.401 114.554 0.114 0.000 2.921 402 T HA 0.442 4.793 4.350 0.001 0.000 0.297 402 T C -0.978 173.608 174.700 -0.190 0.000 1.013 402 T CA -0.420 61.699 62.100 0.030 0.000 0.990 402 T CB 1.980 70.887 68.868 0.066 0.000 1.023 402 T HN 0.204 nan 8.240 nan 0.000 0.447 403 L N 3.732 124.756 121.223 -0.332 0.000 2.282 403 L HA 0.721 5.061 4.340 0.001 0.000 0.288 403 L C 0.801 177.398 176.870 -0.456 0.000 1.033 403 L CA 1.062 55.608 54.840 -0.491 0.000 0.807 403 L CB 0.113 41.812 42.059 -0.600 0.000 1.209 403 L HN 0.991 nan 8.230 nan 0.000 0.423 404 G N 3.410 111.707 108.800 -0.839 0.000 2.601 404 G HA2 -0.257 3.703 3.960 0.001 0.000 0.261 404 G HA3 -0.257 3.703 3.960 0.001 0.000 0.261 404 G C -0.070 174.462 174.900 -0.612 0.000 1.289 404 G CA 0.035 44.505 45.100 -1.049 0.000 0.920 404 G HN 1.243 nan 8.290 nan 0.000 0.571 405 S N -1.095 114.464 115.700 -0.235 0.000 2.666 405 S HA 0.594 5.064 4.470 0.001 0.000 0.279 405 S C 1.187 175.787 174.600 -0.001 0.000 1.149 405 S CA 0.796 59.011 58.200 0.025 0.000 1.020 405 S CB 1.363 64.620 63.200 0.095 0.000 1.127 405 S HN 0.777 nan 8.310 nan 0.000 0.537 406 E N 0.633 120.854 120.200 0.034 0.000 2.153 406 E HA 0.093 4.444 4.350 0.001 0.000 0.194 406 E C 2.013 178.621 176.600 0.014 0.000 0.988 406 E CA 1.303 57.719 56.400 0.027 0.000 0.811 406 E CB -0.951 28.770 29.700 0.034 0.000 0.746 406 E HN 0.796 nan 8.360 nan 0.000 0.466 407 G N -0.070 108.734 108.800 0.007 0.000 2.471 407 G HA2 -0.211 3.749 3.960 0.001 0.000 0.219 407 G HA3 -0.211 3.749 3.960 0.001 0.000 0.219 407 G C 0.509 175.406 174.900 -0.005 0.000 1.125 407 G CA 0.363 45.465 45.100 0.003 0.000 0.775 407 G HN 0.394 nan 8.290 nan 0.000 0.548 408 c N 1.703 120.288 118.600 -0.025 0.000 2.520 408 c HA 0.515 5.086 4.570 0.001 0.000 0.369 408 c C 0.370 174.458 174.090 -0.004 0.000 1.244 408 c CA -0.602 55.706 56.329 -0.035 0.000 1.677 408 c CB -1.086 41.366 42.510 -0.096 0.000 2.324 408 c HN 0.488 nan 8.230 nan 0.000 0.557 409 Q N 6.846 126.656 119.800 0.015 0.000 2.849 409 Q HA 0.303 4.644 4.340 0.001 0.000 0.289 409 Q C -2.084 173.943 176.000 0.045 0.000 1.012 409 Q CA -1.140 54.682 55.803 0.033 0.000 0.899 409 Q CB 1.096 29.849 28.738 0.025 0.000 1.235 409 Q HN 0.694 nan 8.270 nan 0.000 0.457 410 P HA 0.102 nan 4.420 nan 0.000 0.276 410 P C -0.531 176.807 177.300 0.063 0.000 1.252 410 P CA -0.545 62.614 63.100 0.097 0.000 0.802 410 P CB 1.018 32.845 31.700 0.212 0.000 1.035 411 R N 0.775 121.293 120.500 0.029 0.000 2.389 411 R HA 0.328 4.669 4.340 0.001 0.000 0.295 411 R C -0.965 175.284 176.300 -0.085 0.000 1.075 411 R CA -0.282 55.806 56.100 -0.021 0.000 1.005 411 R CB 0.239 30.524 30.300 -0.024 0.000 0.987 411 R HN 0.277 nan 8.270 nan 0.000 0.452 412 V N 3.449 123.272 119.914 -0.152 0.000 2.444 412 V HA 0.287 4.407 4.120 0.001 0.000 0.294 412 V C -0.505 175.447 176.094 -0.236 0.000 1.022 412 V CA -0.597 61.506 62.300 -0.328 0.000 0.850 412 V CB 1.872 33.450 31.823 -0.408 0.000 0.992 412 V HN 0.784 nan 8.190 nan 0.000 0.426 413 S N 3.506 119.058 115.700 -0.247 0.000 2.503 413 S HA 0.809 5.280 4.470 0.001 0.000 0.301 413 S C -0.526 173.977 174.600 -0.161 0.000 1.087 413 S CA -0.696 57.409 58.200 -0.158 0.000 1.042 413 S CB 2.126 65.259 63.200 -0.112 0.000 1.043 413 S HN 0.465 nan 8.310 nan 0.000 0.489 414 V N 2.640 122.488 119.914 -0.110 0.000 2.540 414 V HA 0.523 4.644 4.120 0.001 0.000 0.302 414 V C -0.795 175.264 176.094 -0.058 0.000 1.035 414 V CA -0.862 61.385 62.300 -0.088 0.000 0.873 414 V CB 1.910 33.688 31.823 -0.074 0.000 0.992 414 V HN 0.773 nan 8.190 nan 0.000 0.428 415 D N 1.297 121.668 120.400 -0.048 0.000 2.506 415 D HA 0.358 4.999 4.640 0.001 0.000 0.254 415 D C 1.409 177.694 176.300 -0.025 0.000 1.089 415 D CA 0.075 54.055 54.000 -0.033 0.000 1.050 415 D CB 1.547 42.329 40.800 -0.030 0.000 1.221 415 D HN 0.655 nan 8.370 nan 0.000 0.589 416 T N -2.239 112.304 114.554 -0.018 0.000 2.788 416 T HA -0.191 4.159 4.350 0.001 0.000 0.268 416 T C 0.867 175.561 174.700 -0.010 0.000 1.044 416 T CA 1.577 63.671 62.100 -0.011 0.000 1.139 416 T CB -0.115 68.748 68.868 -0.008 0.000 0.867 416 T HN 0.463 nan 8.240 nan 0.000 0.454 417 D N 0.979 121.371 120.400 -0.013 0.000 2.449 417 D HA 0.162 4.803 4.640 0.001 0.000 0.210 417 D C 0.699 176.989 176.300 -0.018 0.000 1.094 417 D CA 0.078 54.070 54.000 -0.013 0.000 0.846 417 D CB 0.015 40.810 40.800 -0.009 0.000 1.003 417 D HN 0.587 nan 8.370 nan 0.000 0.504 418 V N -2.160 117.741 119.914 -0.021 0.000 3.007 418 V HA 0.743 4.863 4.120 0.001 0.000 0.311 418 V C -0.725 175.348 176.094 -0.035 0.000 1.120 418 V CA -1.083 61.205 62.300 -0.021 0.000 0.980 418 V CB 2.365 34.178 31.823 -0.016 0.000 1.033 418 V HN -0.163 nan 8.190 nan 0.000 0.429 419 V N 3.040 122.938 119.914 -0.028 0.000 2.459 419 V HA 0.637 4.758 4.120 0.001 0.000 0.295 419 V C 0.021 176.063 176.094 -0.087 0.000 1.029 419 V CA -0.530 61.716 62.300 -0.090 0.000 0.874 419 V CB 1.567 33.343 31.823 -0.077 0.000 0.985 419 V HN 1.033 nan 8.190 nan 0.000 0.438 420 R N 3.735 124.117 120.500 -0.198 0.000 2.437 420 R HA 0.572 4.913 4.340 0.001 0.000 0.310 420 R C -1.770 174.373 176.300 -0.261 0.000 0.955 420 R CA -0.499 55.534 56.100 -0.112 0.000 0.851 420 R CB 1.058 31.314 30.300 -0.073 0.000 1.161 420 R HN 0.536 nan 8.270 nan 0.000 0.446 421 F N 2.895 122.827 119.950 -0.030 0.000 2.404 421 F HA 0.358 4.886 4.527 0.001 0.000 0.354 421 F C -0.087 175.692 175.800 -0.034 0.000 1.122 421 F CA -0.709 57.273 58.000 -0.031 0.000 1.080 421 F CB 1.672 40.651 39.000 -0.035 0.000 1.131 421 F HN 0.465 nan 8.300 nan 0.000 0.471 422 N N 2.641 121.400 118.700 0.097 0.000 2.501 422 N HA 0.631 5.372 4.740 0.001 0.000 0.245 422 N C -0.992 174.553 175.510 0.059 0.000 0.974 422 N CA -0.325 52.757 53.050 0.054 0.000 0.941 422 N CB 1.357 39.850 38.487 0.009 0.000 1.122 422 N HN 0.641 nan 8.380 nan 0.000 0.507 423 A N 1.701 124.552 122.820 0.052 0.000 2.365 423 A HA 0.524 4.844 4.320 0.001 0.000 0.318 423 A C -0.706 176.884 177.584 0.009 0.000 1.091 423 A CA -0.813 51.245 52.037 0.036 0.000 0.763 423 A CB 0.984 19.999 19.000 0.026 0.000 1.248 423 A HN 0.377 nan 8.150 nan 0.000 0.442 424 Q N 1.621 121.425 119.800 0.007 0.000 2.288 424 Q HA 0.181 4.521 4.340 0.001 0.000 0.258 424 Q C 0.690 176.687 176.000 -0.005 0.000 0.957 424 Q CA -0.467 55.336 55.803 -0.000 0.000 0.919 424 Q CB 1.426 30.173 28.738 0.016 0.000 1.185 424 Q HN 0.736 nan 8.270 nan 0.000 0.408 425 L N 3.062 124.262 121.223 -0.038 0.000 2.079 425 L HA -0.226 4.115 4.340 0.001 0.000 0.210 425 L C 2.139 178.998 176.870 -0.019 0.000 1.081 425 L CA 2.107 56.903 54.840 -0.073 0.000 0.752 425 L CB -0.683 41.234 42.059 -0.236 0.000 0.896 425 L HN 0.822 nan 8.230 nan 0.000 0.433 426 H N -0.154 118.872 119.070 -0.073 0.000 2.321 426 H HA -0.199 4.357 4.556 0.001 0.000 0.300 426 H C 2.108 177.442 175.328 0.010 0.000 1.087 426 H CA 2.146 58.186 56.048 -0.014 0.000 1.319 426 H CB 0.033 29.780 29.762 -0.024 0.000 1.379 426 H HN 0.621 nan 8.280 nan 0.000 0.501 427 E N -1.283 118.923 120.200 0.011 0.000 2.358 427 E HA -0.039 4.311 4.350 0.001 0.000 0.195 427 E C 1.326 177.887 176.600 -0.064 0.000 1.010 427 E CA 1.001 57.377 56.400 -0.039 0.000 0.856 427 E CB -0.232 29.497 29.700 0.049 0.000 0.795 427 E HN 0.413 nan 8.360 nan 0.000 0.504 428 c N 0.778 119.345 118.600 -0.055 0.000 2.926 428 c HA 0.282 4.853 4.570 0.001 0.000 0.272 428 c C 0.708 174.757 174.090 -0.069 0.000 1.249 428 c CA -0.439 55.844 56.329 -0.076 0.000 1.691 428 c CB -0.445 42.021 42.510 -0.073 0.000 1.983 428 c HN 0.227 nan 8.230 nan 0.000 0.615 429 S N 1.799 117.485 115.700 -0.023 0.000 2.443 429 S HA 0.081 4.552 4.470 0.001 0.000 0.284 429 S C 1.147 175.756 174.600 0.014 0.000 1.206 429 S CA -0.030 58.196 58.200 0.044 0.000 1.074 429 S CB 0.874 64.173 63.200 0.164 0.000 0.963 429 S HN 0.565 nan 8.310 nan 0.000 0.501 430 S N 2.939 118.660 115.700 0.034 0.000 2.414 430 S HA 0.035 4.506 4.470 0.001 0.000 0.227 430 S C 0.912 175.554 174.600 0.070 0.000 1.022 430 S CA 0.606 58.853 58.200 0.077 0.000 0.958 430 S CB 0.082 63.401 63.200 0.199 0.000 0.797 430 S HN 0.738 nan 8.310 nan 0.000 0.493 431 R N 0.664 121.203 120.500 0.065 0.000 2.651 431 R HA 0.525 4.866 4.340 0.001 0.000 0.278 431 R C -1.775 174.528 176.300 0.004 0.000 1.010 431 R CA -0.594 55.528 56.100 0.036 0.000 0.896 431 R CB 1.659 31.987 30.300 0.047 0.000 1.211 431 R HN 0.074 nan 8.270 nan 0.000 0.456 432 V N 1.044 120.929 119.914 -0.049 0.000 2.789 432 V HA 0.704 4.825 4.120 0.001 0.000 0.311 432 V C -1.153 174.861 176.094 -0.133 0.000 1.073 432 V CA -0.591 61.614 62.300 -0.158 0.000 0.921 432 V CB 1.636 33.335 31.823 -0.207 0.000 1.009 432 V HN 1.008 nan 8.190 nan 0.000 0.426 433 Q N 3.904 123.604 119.800 -0.167 0.000 2.630 433 Q HA 0.680 5.021 4.340 0.001 0.000 0.295 433 Q C -1.954 173.982 176.000 -0.106 0.000 0.944 433 Q CA -1.136 54.604 55.803 -0.104 0.000 0.766 433 Q CB 2.726 31.427 28.738 -0.060 0.000 1.471 433 Q HN 0.755 nan 8.270 nan 0.000 0.416 434 M N 2.128 121.689 119.600 -0.064 0.000 2.253 434 M HA 0.386 4.867 4.480 0.001 0.000 0.314 434 M C -0.277 176.009 176.300 -0.024 0.000 1.019 434 M CA -0.711 54.563 55.300 -0.043 0.000 0.932 434 M CB 2.247 34.828 32.600 -0.032 0.000 1.606 434 M HN 0.948 nan 8.290 nan 0.000 0.430 435 T N -1.497 113.049 114.554 -0.014 0.000 2.852 435 T HA 0.340 4.690 4.350 0.001 0.000 0.281 435 T C 0.999 175.700 174.700 0.001 0.000 0.993 435 T CA -0.708 61.388 62.100 -0.006 0.000 0.933 435 T CB 1.460 70.327 68.868 -0.002 0.000 1.187 435 T HN 0.795 nan 8.240 nan 0.000 0.559 436 K N -0.067 120.335 120.400 0.003 0.000 2.063 436 K HA -0.165 4.156 4.320 0.001 0.000 0.208 436 K C 1.025 177.635 176.600 0.017 0.000 1.048 436 K CA 2.023 58.316 56.287 0.009 0.000 0.928 436 K CB -0.280 32.227 32.500 0.010 0.000 0.713 436 K HN 0.568 nan 8.250 nan 0.000 0.442 437 D N -0.858 119.554 120.400 0.020 0.000 2.367 437 D HA 0.202 4.842 4.640 0.001 0.000 0.207 437 D C -0.535 175.786 176.300 0.036 0.000 1.034 437 D CA 0.405 54.422 54.000 0.028 0.000 0.861 437 D CB 1.115 41.933 40.800 0.029 0.000 0.943 437 D HN 0.302 nan 8.370 nan 0.000 0.515 438 A N -0.071 122.770 122.820 0.035 0.000 2.556 438 A HA 0.681 5.002 4.320 0.001 0.000 0.294 438 A C -1.472 176.141 177.584 0.048 0.000 1.091 438 A CA -0.648 51.422 52.037 0.055 0.000 0.704 438 A CB 1.089 20.118 19.000 0.047 0.000 1.300 438 A HN 0.038 nan 8.150 nan 0.000 0.406 439 L N 1.388 122.668 121.223 0.095 0.000 2.282 439 L HA 0.583 4.923 4.340 0.001 0.000 0.288 439 L C -0.879 176.018 176.870 0.044 0.000 1.033 439 L CA -0.912 53.946 54.840 0.030 0.000 0.807 439 L CB 1.538 43.645 42.059 0.080 0.000 1.209 439 L HN 0.420 nan 8.230 nan 0.000 0.423 440 V N 3.225 123.065 119.914 -0.124 0.000 2.417 440 V HA 0.370 4.491 4.120 0.001 0.000 0.291 440 V C -0.894 175.081 176.094 -0.199 0.000 1.024 440 V CA -0.643 61.631 62.300 -0.042 0.000 0.861 440 V CB 1.291 33.105 31.823 -0.015 0.000 0.985 440 V HN 0.393 nan 8.190 nan 0.000 0.436 441 Y N 1.967 122.342 120.300 0.126 0.000 2.328 441 Y HA 0.651 5.202 4.550 0.001 0.000 0.337 441 Y C 0.602 176.553 175.900 0.084 0.000 0.966 441 Y CA -0.409 57.755 58.100 0.107 0.000 1.136 441 Y CB 2.027 40.576 38.460 0.147 0.000 1.170 441 Y HN 0.580 nan 8.280 nan 0.000 0.470 442 S N 1.651 117.454 115.700 0.173 0.000 2.526 442 S HA 0.781 5.252 4.470 0.001 0.000 0.293 442 S C -0.355 174.314 174.600 0.114 0.000 1.092 442 S CA -0.686 57.593 58.200 0.133 0.000 0.980 442 S CB 2.366 65.625 63.200 0.099 0.000 1.048 442 S HN 0.693 nan 8.310 nan 0.000 0.483 443 T N 1.148 115.760 114.554 0.097 0.000 2.626 443 T HA 0.784 5.135 4.350 0.001 0.000 0.299 443 T C -2.070 172.701 174.700 0.119 0.000 1.181 443 T CA -0.664 61.464 62.100 0.047 0.000 1.053 443 T CB 0.519 69.291 68.868 -0.160 0.000 1.566 443 T HN 0.526 nan 8.240 nan 0.000 0.486 444 F N 0.859 120.803 119.950 -0.011 0.000 2.588 444 F HA 0.866 5.394 4.527 0.001 0.000 0.310 444 F C -1.513 174.249 175.800 -0.064 0.000 1.082 444 F CA -1.428 56.562 58.000 -0.018 0.000 0.929 444 F CB 1.009 40.005 39.000 -0.007 0.000 1.254 444 F HN 0.438 nan 8.300 nan 0.000 0.455 445 L N 4.115 125.378 121.223 0.067 0.000 2.296 445 L HA 0.742 5.083 4.340 0.001 0.000 0.286 445 L C -1.557 175.380 176.870 0.112 0.000 1.023 445 L CA -0.754 54.059 54.840 -0.045 0.000 0.812 445 L CB 1.399 43.387 42.059 -0.118 0.000 1.223 445 L HN 0.819 nan 8.230 nan 0.000 0.421 446 L N 5.188 126.483 121.223 0.120 0.000 2.346 446 L HA 0.480 4.820 4.340 0.001 0.000 0.276 446 L C -1.112 175.861 176.870 0.173 0.000 1.006 446 L CA -0.178 54.764 54.840 0.171 0.000 0.817 446 L CB 1.309 43.496 42.059 0.213 0.000 1.272 446 L HN 0.705 nan 8.230 nan 0.000 0.421 447 H N 3.898 123.023 119.070 0.091 0.000 2.541 447 H HA 0.384 4.941 4.556 0.001 0.000 0.316 447 H C -1.525 173.878 175.328 0.125 0.000 1.043 447 H CA -0.435 55.678 56.048 0.107 0.000 1.232 447 H CB 1.317 31.141 29.762 0.104 0.000 1.406 447 H HN 0.639 nan 8.280 nan 0.000 0.469 448 D N 7.553 127.777 120.400 -0.293 0.000 2.336 448 D HA 0.151 4.792 4.640 0.001 0.000 0.248 448 D C -2.247 173.905 176.300 -0.248 0.000 1.326 448 D CA -1.766 52.105 54.000 -0.215 0.000 0.973 448 D CB 1.770 42.539 40.800 -0.052 0.000 1.255 448 D HN 0.366 nan 8.370 nan 0.000 0.558 449 P HA 0.112 nan 4.420 nan 0.000 0.258 449 P C 0.019 177.289 177.300 -0.050 0.000 1.559 449 P CA -0.183 62.832 63.100 -0.142 0.000 0.855 449 P CB -0.084 31.573 31.700 -0.072 0.000 1.594 450 R N 1.894 122.368 120.500 -0.044 0.000 2.594 450 R HA 0.276 4.617 4.340 0.001 0.000 0.272 450 R C -1.586 174.711 176.300 -0.005 0.000 1.074 450 R CA -1.270 54.820 56.100 -0.017 0.000 1.105 450 R CB -0.372 29.921 30.300 -0.012 0.000 1.008 450 R HN 0.182 nan 8.270 nan 0.000 0.472 451 P HA 0.043 nan 4.420 nan 0.000 0.282 451 P C -0.416 176.886 177.300 0.003 0.000 1.274 451 P CA -0.410 62.691 63.100 0.001 0.000 0.770 451 P CB 0.851 32.554 31.700 0.004 0.000 0.867 452 V N 1.222 121.136 119.914 0.000 0.000 2.637 452 V HA 0.127 4.248 4.120 0.001 0.000 0.296 452 V C 1.002 177.099 176.094 0.005 0.000 1.046 452 V CA 0.187 62.489 62.300 0.004 0.000 1.066 452 V CB 0.478 32.301 31.823 0.000 0.000 0.968 452 V HN 0.481 nan 8.190 nan 0.000 0.483 453 S N 3.220 118.925 115.700 0.008 0.000 2.593 453 S HA 0.357 4.828 4.470 0.001 0.000 0.217 453 S C 0.788 175.391 174.600 0.005 0.000 0.966 453 S CA 0.499 58.703 58.200 0.007 0.000 0.914 453 S CB 0.020 63.226 63.200 0.011 0.000 0.776 453 S HN 1.287 nan 8.310 nan 0.000 0.523 454 G N 0.684 109.486 108.800 0.003 0.000 2.569 454 G HA2 0.607 4.568 3.960 0.001 0.000 0.300 454 G HA3 0.607 4.568 3.960 0.001 0.000 0.300 454 G C -1.086 173.811 174.900 -0.004 0.000 1.269 454 G CA -0.849 44.251 45.100 -0.000 0.000 0.959 454 G HN 0.205 nan 8.290 nan 0.000 0.478 455 L N 1.761 122.981 121.223 -0.005 0.000 2.499 455 L HA 0.409 4.749 4.340 0.001 0.000 0.273 455 L C 0.937 177.799 176.870 -0.013 0.000 1.195 455 L CA -0.016 54.820 54.840 -0.007 0.000 0.882 455 L CB 0.663 42.719 42.059 -0.006 0.000 1.133 455 L HN 0.533 nan 8.230 nan 0.000 0.483 456 S N 4.468 120.159 115.700 -0.015 0.000 2.462 456 S HA 0.674 5.145 4.470 0.001 0.000 0.294 456 S C 0.292 174.878 174.600 -0.023 0.000 1.144 456 S CA -0.702 57.483 58.200 -0.024 0.000 1.088 456 S CB 1.404 64.589 63.200 -0.025 0.000 1.009 456 S HN 0.561 nan 8.310 nan 0.000 0.484 457 I N 2.178 122.729 120.570 -0.031 0.000 4.518 457 I HA 0.339 4.509 4.170 0.001 0.000 0.247 457 I C 1.523 177.625 176.117 -0.025 0.000 0.994 457 I CA -0.136 61.150 61.300 -0.023 0.000 2.009 457 I CB -0.700 37.288 38.000 -0.020 0.000 1.547 457 I HN 0.526 nan 8.210 nan 0.000 0.463 458 L N 0.515 121.719 121.223 -0.032 0.000 2.013 458 L HA 0.110 4.451 4.340 0.001 0.000 0.204 458 L C 0.863 177.714 176.870 -0.032 0.000 1.081 458 L CA 1.550 56.376 54.840 -0.024 0.000 0.751 458 L CB -0.529 41.518 42.059 -0.020 0.000 0.901 458 L HN 0.101 nan 8.230 nan 0.000 0.440 459 R N -1.052 119.408 120.500 -0.066 0.000 2.500 459 R HA 0.352 4.692 4.340 0.001 0.000 0.277 459 R C -0.079 176.161 176.300 -0.100 0.000 1.026 459 R CA -0.267 55.782 56.100 -0.084 0.000 1.058 459 R CB 0.761 30.964 30.300 -0.162 0.000 1.078 459 R HN -0.007 nan 8.270 nan 0.000 0.509 460 T N 0.595 115.118 114.554 -0.052 0.000 2.869 460 T HA 0.086 4.437 4.350 0.001 0.000 0.295 460 T C 0.816 175.486 174.700 -0.050 0.000 0.987 460 T CA -0.575 61.505 62.100 -0.032 0.000 1.109 460 T CB 0.434 69.315 68.868 0.022 0.000 0.932 460 T HN 0.416 nan 8.240 nan 0.000 0.518 461 N N 3.144 121.812 118.700 -0.054 0.000 2.494 461 N HA 0.019 4.759 4.740 0.001 0.000 0.182 461 N C 0.667 176.387 175.510 0.350 0.000 1.076 461 N CA 0.277 53.366 53.050 0.066 0.000 0.908 461 N CB -0.070 38.457 38.487 0.067 0.000 0.967 461 N HN 0.561 nan 8.380 nan 0.000 0.449 462 R N 1.131 121.743 120.500 0.186 0.000 2.248 462 R HA 0.270 4.611 4.340 0.001 0.000 0.328 462 R C -1.115 175.316 176.300 0.217 0.000 1.067 462 R CA -0.000 56.201 56.100 0.168 0.000 0.924 462 R CB 0.379 30.725 30.300 0.076 0.000 1.013 462 R HN -0.234 nan 8.270 nan 0.000 0.454 463 V N 4.001 124.071 119.914 0.259 0.000 2.709 463 V HA 0.366 4.487 4.120 0.001 0.000 0.308 463 V C -0.579 175.609 176.094 0.158 0.000 1.062 463 V CA -0.801 61.627 62.300 0.212 0.000 0.901 463 V CB 1.861 33.819 31.823 0.226 0.000 1.003 463 V HN 0.767 nan 8.190 nan 0.000 0.425 464 E N 2.878 123.148 120.200 0.116 0.000 2.246 464 E HA 0.719 5.069 4.350 0.001 0.000 0.266 464 E C -1.592 175.067 176.600 0.098 0.000 0.880 464 E CA -0.535 55.930 56.400 0.108 0.000 0.762 464 E CB 2.428 32.166 29.700 0.064 0.000 1.180 464 E HN 0.668 nan 8.360 nan 0.000 0.416 465 V N 1.234 121.217 119.914 0.116 0.000 2.823 465 V HA 0.724 4.844 4.120 0.001 0.000 0.312 465 V C -2.722 173.455 176.094 0.140 0.000 1.072 465 V CA -2.487 59.879 62.300 0.109 0.000 0.937 465 V CB 1.603 33.485 31.823 0.099 0.000 1.013 465 V HN 0.551 nan 8.190 nan 0.000 0.430 466 P HA 0.429 nan 4.420 nan 0.000 0.282 466 P C -1.038 176.389 177.300 0.212 0.000 1.262 466 P CA -0.019 63.173 63.100 0.153 0.000 0.773 466 P CB 1.018 32.774 31.700 0.093 0.000 0.879 467 I N 3.234 123.909 120.570 0.176 0.000 2.355 467 I HA 0.434 4.604 4.170 0.001 0.000 0.288 467 I C 0.493 176.715 176.117 0.174 0.000 0.999 467 I CA -0.491 60.905 61.300 0.159 0.000 1.163 467 I CB 0.944 38.952 38.000 0.014 0.000 1.316 467 I HN 0.474 nan 8.210 nan 0.000 0.454 468 E N 5.196 125.554 120.200 0.263 0.000 2.308 468 E HA 0.549 4.900 4.350 0.001 0.000 0.275 468 E C -1.902 174.823 176.600 0.209 0.000 0.890 468 E CA -0.399 56.139 56.400 0.229 0.000 0.754 468 E CB 2.195 32.017 29.700 0.205 0.000 1.207 468 E HN 0.622 nan 8.360 nan 0.000 0.426 469 c N 3.306 122.004 118.600 0.163 0.000 2.441 469 c HA 0.600 5.171 4.570 0.001 0.000 0.318 469 c C -0.655 173.447 174.090 0.020 0.000 1.222 469 c CA -0.662 55.689 56.329 0.037 0.000 1.474 469 c CB 0.884 43.427 42.510 0.055 0.000 2.125 469 c HN 0.686 nan 8.230 nan 0.000 0.479 470 R N 2.101 122.475 120.500 -0.209 0.000 2.439 470 R HA 0.556 4.897 4.340 0.001 0.000 0.310 470 R C -1.826 174.277 176.300 -0.329 0.000 0.955 470 R CA -0.409 55.620 56.100 -0.118 0.000 0.853 470 R CB 1.491 31.767 30.300 -0.041 0.000 1.171 470 R HN 0.663 nan 8.270 nan 0.000 0.449 471 Y N 2.409 122.792 120.300 0.137 0.000 2.364 471 Y HA 0.324 4.875 4.550 0.001 0.000 0.340 471 Y C -2.019 173.923 175.900 0.070 0.000 0.975 471 Y CA -2.946 55.215 58.100 0.102 0.000 1.089 471 Y CB 1.563 40.108 38.460 0.140 0.000 1.192 471 Y HN 0.412 nan 8.280 nan 0.000 0.454 472 P HA 0.050 nan 4.420 nan 0.000 0.264 472 P C -0.076 177.285 177.300 0.103 0.000 1.183 472 P CA 0.211 63.370 63.100 0.098 0.000 0.763 472 P CB 0.662 32.398 31.700 0.060 0.000 0.807 473 R N 0.000 120.544 120.500 0.073 0.000 2.786 473 R HA 0.000 4.341 4.340 0.001 0.000 0.208 473 R CA 0.000 56.134 56.100 0.056 0.000 0.921 473 R CB 0.000 30.325 30.300 0.042 0.000 0.687 473 R HN 0.000 nan 8.270 nan 0.000 0.535