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 3ng1_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVARD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GVSEKPEGLE PFYPERLAGR ILGM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.042 176.300 -0.429 0.000 1.140 1 M CA 0.000 55.020 55.300 -0.467 0.000 0.988 1 M CB 0.000 32.048 32.600 -0.919 0.000 1.302 2 F N -0.515 119.452 119.950 0.028 0.000 3.040 2 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 2 F C 0.947 176.757 175.800 0.016 0.000 0.948 2 F CA 1.017 59.030 58.000 0.021 0.000 1.022 2 F CB -2.714 36.302 39.000 0.026 0.000 1.023 2 F HN 0.897 nan 8.300 nan 0.000 0.742 3 Q N 0.034 119.919 119.800 0.141 0.000 2.084 3 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 3 Q C 2.387 178.435 176.000 0.079 0.000 0.978 3 Q CA 2.317 58.168 55.803 0.080 0.000 0.844 3 Q CB -0.205 28.562 28.738 0.048 0.000 0.898 3 Q HN 0.778 nan 8.270 nan 0.000 0.426 4 Q N -0.224 119.625 119.800 0.081 0.000 1.993 4 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 4 Q C 1.998 178.027 176.000 0.049 0.000 0.984 4 Q CA 1.477 57.312 55.803 0.053 0.000 0.837 4 Q CB -0.229 28.534 28.738 0.042 0.000 0.902 4 Q HN 0.384 nan 8.270 nan 0.000 0.423 5 L N 0.505 121.766 121.223 0.063 0.000 2.012 5 L HA -0.185 4.155 4.340 0.000 0.000 0.210 5 L C 2.272 179.178 176.870 0.059 0.000 1.073 5 L CA 2.134 56.994 54.840 0.035 0.000 0.748 5 L CB -0.813 41.255 42.059 0.015 0.000 0.891 5 L HN 0.139 nan 8.230 nan 0.000 0.431 6 S N -0.152 115.611 115.700 0.105 0.000 2.359 6 S HA -0.254 4.216 4.470 0.000 0.000 0.222 6 S C 2.087 176.725 174.600 0.063 0.000 1.038 6 S CA 1.446 59.704 58.200 0.096 0.000 1.051 6 S CB -0.846 62.414 63.200 0.100 0.000 0.944 6 S HN 0.716 nan 8.310 nan 0.000 0.433 7 A N 2.087 124.938 122.820 0.052 0.000 1.873 7 A HA -0.192 4.128 4.320 0.000 0.000 0.218 7 A C 2.167 179.770 177.584 0.031 0.000 1.193 7 A CA 1.619 53.679 52.037 0.037 0.000 0.629 7 A CB -0.620 18.399 19.000 0.031 0.000 0.826 7 A HN 0.441 nan 8.150 nan 0.000 0.447 8 R N -0.642 119.873 120.500 0.025 0.000 2.083 8 R HA -0.096 4.244 4.340 0.000 0.000 0.237 8 R C 2.178 178.489 176.300 0.019 0.000 1.137 8 R CA 1.515 57.624 56.100 0.015 0.000 0.951 8 R CB -0.710 29.591 30.300 0.001 0.000 0.851 8 R HN 0.533 nan 8.270 nan 0.000 0.434 9 L N 0.892 122.131 121.223 0.027 0.000 2.012 9 L HA -0.238 4.102 4.340 0.000 0.000 0.210 9 L C 2.589 179.490 176.870 0.051 0.000 1.073 9 L CA 1.589 56.455 54.840 0.043 0.000 0.748 9 L CB -0.482 41.615 42.059 0.063 0.000 0.891 9 L HN 0.304 nan 8.230 nan 0.000 0.431 10 Q N -0.799 119.031 119.800 0.049 0.000 2.167 10 Q HA -0.211 4.129 4.340 0.000 0.000 0.202 10 Q C 2.143 178.163 176.000 0.034 0.000 0.970 10 Q CA 1.036 56.866 55.803 0.045 0.000 0.855 10 Q CB -0.039 28.724 28.738 0.042 0.000 0.911 10 Q HN 0.398 nan 8.270 nan 0.000 0.438 11 E N 0.661 120.878 120.200 0.028 0.000 2.107 11 E HA -0.121 4.229 4.350 0.000 0.000 0.191 11 E C 1.780 178.392 176.600 0.022 0.000 0.982 11 E CA 0.974 57.387 56.400 0.022 0.000 0.809 11 E CB 0.098 29.809 29.700 0.018 0.000 0.756 11 E HN 0.294 nan 8.360 nan 0.000 0.459 12 A N 1.336 124.170 122.820 0.024 0.000 1.898 12 A HA -0.078 4.242 4.320 0.000 0.000 0.216 12 A C 2.283 179.885 177.584 0.030 0.000 1.181 12 A CA 0.987 53.039 52.037 0.025 0.000 0.620 12 A CB -0.510 18.505 19.000 0.026 0.000 0.819 12 A HN 0.276 nan 8.150 nan 0.000 0.442 13 I N -0.323 120.270 120.570 0.037 0.000 2.315 13 I HA -0.156 4.014 4.170 0.000 0.000 0.248 13 I C 2.597 178.731 176.117 0.029 0.000 1.117 13 I CA 1.106 62.430 61.300 0.039 0.000 1.404 13 I CB -0.714 37.316 38.000 0.050 0.000 1.071 13 I HN 0.404 nan 8.210 nan 0.000 0.419 14 G N 0.837 109.652 108.800 0.026 0.000 2.471 14 G HA2 -0.194 3.766 3.960 0.000 0.000 0.219 14 G HA3 -0.194 3.766 3.960 0.000 0.000 0.219 14 G C 1.735 176.645 174.900 0.016 0.000 1.125 14 G CA 0.109 45.221 45.100 0.020 0.000 0.775 14 G HN 0.331 nan 8.290 nan 0.000 0.548 15 R N -0.343 120.167 120.500 0.017 0.000 2.241 15 R HA 0.079 4.419 4.340 0.000 0.000 0.224 15 R C 1.704 178.012 176.300 0.013 0.000 1.101 15 R CA 0.525 56.633 56.100 0.014 0.000 0.995 15 R CB -0.213 30.096 30.300 0.014 0.000 0.870 15 R HN 0.376 nan 8.270 nan 0.000 0.463 16 L N -0.256 120.976 121.223 0.015 0.000 2.607 16 L HA 0.181 4.521 4.340 0.000 0.000 0.228 16 L C 0.901 177.777 176.870 0.011 0.000 1.123 16 L CA -0.119 54.729 54.840 0.013 0.000 0.890 16 L CB 0.027 42.096 42.059 0.016 0.000 1.103 16 L HN -0.001 nan 8.230 nan 0.000 0.468 17 R N 0.390 120.897 120.500 0.011 0.000 2.486 17 R HA 0.438 4.778 4.340 0.000 0.000 0.286 17 R C 0.734 177.038 176.300 0.007 0.000 0.999 17 R CA 0.370 56.475 56.100 0.009 0.000 0.993 17 R CB 1.217 31.523 30.300 0.010 0.000 1.084 17 R HN 0.133 nan 8.270 nan 0.000 0.487 18 G N 3.260 112.063 108.800 0.005 0.000 2.273 18 G HA2 -0.324 3.636 3.960 0.000 0.000 0.280 18 G HA3 -0.324 3.636 3.960 0.000 0.000 0.280 18 G C 0.068 174.970 174.900 0.004 0.000 1.047 18 G CA 0.964 46.066 45.100 0.004 0.000 0.869 18 G HN 0.731 nan 8.290 nan 0.000 0.502 19 R N -1.325 119.178 120.500 0.004 0.000 2.569 19 R HA 0.535 4.875 4.340 0.000 0.000 0.429 19 R C 1.066 177.368 176.300 0.004 0.000 0.994 19 R CA 0.390 56.493 56.100 0.004 0.000 1.089 19 R CB -0.063 30.240 30.300 0.005 0.000 1.420 19 R HN 1.802 nan 8.270 nan 0.000 0.615 20 G N 1.872 110.673 108.800 0.003 0.000 2.641 20 G HA2 -0.340 3.620 3.960 0.000 0.000 0.254 20 G HA3 -0.340 3.620 3.960 0.000 0.000 0.254 20 G C -0.744 174.158 174.900 0.003 0.000 1.315 20 G CA -0.200 44.902 45.100 0.003 0.000 0.907 20 G HN 0.440 nan 8.290 nan 0.000 0.572 21 R N -0.232 120.270 120.500 0.003 0.000 2.623 21 R HA 0.369 4.709 4.340 0.000 0.000 0.271 21 R C 0.951 177.254 176.300 0.004 0.000 1.043 21 R CA 0.775 56.877 56.100 0.003 0.000 1.083 21 R CB 0.048 30.350 30.300 0.003 0.000 0.974 21 R HN 0.647 nan 8.270 nan 0.000 0.436 22 I N -1.941 118.632 120.570 0.005 0.000 2.822 22 I HA 0.492 4.662 4.170 0.000 0.000 0.312 22 I C 0.616 176.736 176.117 0.006 0.000 1.011 22 I CA -0.945 60.358 61.300 0.006 0.000 1.105 22 I CB 1.858 39.862 38.000 0.008 0.000 1.291 22 I HN 0.549 nan 8.210 nan 0.000 0.474 23 T N -1.417 113.140 114.554 0.006 0.000 2.880 23 T HA 0.321 4.671 4.350 0.000 0.000 0.279 23 T C 0.746 175.450 174.700 0.007 0.000 0.990 23 T CA -0.226 61.877 62.100 0.006 0.000 0.938 23 T CB 1.444 70.315 68.868 0.005 0.000 1.206 23 T HN 0.856 nan 8.240 nan 0.000 0.573 24 E N -0.247 119.957 120.200 0.006 0.000 2.106 24 E HA -0.148 4.202 4.350 0.000 0.000 0.192 24 E C 1.881 178.486 176.600 0.008 0.000 0.984 24 E CA 0.807 57.211 56.400 0.007 0.000 0.806 24 E CB 0.048 29.751 29.700 0.006 0.000 0.750 24 E HN 0.588 nan 8.360 nan 0.000 0.458 25 E N 0.777 120.981 120.200 0.007 0.000 2.152 25 E HA -0.142 4.208 4.350 0.000 0.000 0.192 25 E C 1.589 178.194 176.600 0.008 0.000 0.983 25 E CA 0.698 57.102 56.400 0.007 0.000 0.818 25 E CB -0.076 29.627 29.700 0.005 0.000 0.758 25 E HN 0.335 nan 8.360 nan 0.000 0.467 26 D N 0.649 121.054 120.400 0.008 0.000 2.117 26 D HA -0.132 4.508 4.640 0.000 0.000 0.198 26 D C 2.071 178.378 176.300 0.012 0.000 0.982 26 D CA 0.483 54.488 54.000 0.009 0.000 0.828 26 D CB -0.180 40.626 40.800 0.009 0.000 0.967 26 D HN 0.104 nan 8.370 nan 0.000 0.464 27 L N 1.395 122.626 121.223 0.012 0.000 2.017 27 L HA -0.131 4.209 4.340 0.000 0.000 0.208 27 L C 1.915 178.795 176.870 0.017 0.000 1.073 27 L CA 1.821 56.671 54.840 0.015 0.000 0.745 27 L CB -0.392 41.676 42.059 0.014 0.000 0.894 27 L HN -0.165 nan 8.230 nan 0.000 0.432 28 K N -0.515 119.893 120.400 0.014 0.000 2.097 28 K HA -0.111 4.209 4.320 0.000 0.000 0.206 28 K C 2.106 178.714 176.600 0.014 0.000 1.049 28 K CA 1.313 57.608 56.287 0.014 0.000 0.933 28 K CB -0.405 32.101 32.500 0.011 0.000 0.717 28 K HN 0.507 nan 8.250 nan 0.000 0.442 29 A N 0.750 123.577 122.820 0.012 0.000 1.908 29 A HA -0.189 4.131 4.320 0.000 0.000 0.218 29 A C 2.235 179.827 177.584 0.013 0.000 1.181 29 A CA 2.158 54.202 52.037 0.010 0.000 0.627 29 A CB -0.983 18.022 19.000 0.009 0.000 0.818 29 A HN 0.252 nan 8.150 nan 0.000 0.445 30 T N 0.284 114.848 114.554 0.017 0.000 2.777 30 T HA -0.051 4.299 4.350 0.000 0.000 0.266 30 T C 1.799 176.517 174.700 0.028 0.000 1.040 30 T CA 1.386 63.500 62.100 0.023 0.000 1.141 30 T CB -0.374 68.510 68.868 0.027 0.000 0.868 30 T HN 0.369 nan 8.240 nan 0.000 0.444 31 L N 0.352 121.594 121.223 0.031 0.000 2.079 31 L HA -0.111 4.230 4.340 0.000 0.000 0.210 31 L C 2.874 179.760 176.870 0.027 0.000 1.081 31 L CA 1.418 56.281 54.840 0.038 0.000 0.752 31 L CB -0.440 41.641 42.059 0.036 0.000 0.896 31 L HN 0.161 nan 8.230 nan 0.000 0.433 32 R N -0.285 120.225 120.500 0.016 0.000 2.081 32 R HA -0.146 4.194 4.340 0.000 0.000 0.235 32 R C 2.213 178.513 176.300 -0.001 0.000 1.131 32 R CA 1.214 57.318 56.100 0.006 0.000 0.960 32 R CB -0.181 30.121 30.300 0.004 0.000 0.856 32 R HN 0.427 nan 8.270 nan 0.000 0.436 33 E N 0.465 120.666 120.200 0.003 0.000 2.106 33 E HA -0.169 4.181 4.350 0.000 0.000 0.192 33 E C 2.048 178.641 176.600 -0.012 0.000 0.984 33 E CA 0.961 57.359 56.400 -0.003 0.000 0.806 33 E CB -0.031 29.671 29.700 0.005 0.000 0.750 33 E HN 0.358 nan 8.360 nan 0.000 0.458 34 I N 0.731 121.302 120.570 0.000 0.000 2.179 34 I HA -0.281 3.889 4.170 0.000 0.000 0.242 34 I C 2.687 178.765 176.117 -0.065 0.000 1.088 34 I CA 0.932 62.225 61.300 -0.012 0.000 1.357 34 I CB -0.195 37.838 38.000 0.054 0.000 1.051 34 I HN 0.005 nan 8.210 nan 0.000 0.409 35 R N 1.516 121.993 120.500 -0.038 0.000 2.080 35 R HA -0.234 4.106 4.340 0.000 0.000 0.236 35 R C 2.315 178.570 176.300 -0.074 0.000 1.137 35 R CA 1.892 57.957 56.100 -0.058 0.000 0.943 35 R CB -0.608 29.678 30.300 -0.024 0.000 0.846 35 R HN 0.084 nan 8.270 nan 0.000 0.431 36 R N 0.041 120.511 120.500 -0.050 0.000 2.117 36 R HA -0.062 4.278 4.340 0.000 0.000 0.243 36 R C 1.988 178.251 176.300 -0.063 0.000 1.143 36 R CA 1.896 57.967 56.100 -0.047 0.000 0.968 36 R CB -0.751 29.531 30.300 -0.030 0.000 0.863 36 R HN 0.382 nan 8.270 nan 0.000 0.444 37 A N 0.270 123.047 122.820 -0.073 0.000 1.873 37 A HA -0.090 4.230 4.320 0.000 0.000 0.215 37 A C 2.215 179.721 177.584 -0.130 0.000 1.186 37 A CA 1.459 53.446 52.037 -0.085 0.000 0.616 37 A CB -0.603 18.350 19.000 -0.078 0.000 0.823 37 A HN 0.349 nan 8.150 nan 0.000 0.442 38 L N -0.904 120.205 121.223 -0.191 0.000 2.083 38 L HA -0.213 4.127 4.340 0.000 0.000 0.209 38 L C 2.811 179.578 176.870 -0.171 0.000 1.083 38 L CA 1.094 55.783 54.840 -0.251 0.000 0.752 38 L CB -0.521 41.321 42.059 -0.361 0.000 0.899 38 L HN 0.353 nan 8.230 nan 0.000 0.433 39 M N -0.733 118.791 119.600 -0.127 0.000 2.159 39 M HA -0.179 4.301 4.480 0.000 0.000 0.263 39 M C 1.672 177.925 176.300 -0.078 0.000 1.063 39 M CA 1.541 56.786 55.300 -0.092 0.000 1.110 39 M CB -1.052 31.507 32.600 -0.069 0.000 1.374 39 M HN 0.184 nan 8.290 nan 0.000 0.411 40 D N 0.459 120.815 120.400 -0.073 0.000 2.312 40 D HA 0.027 4.667 4.640 0.000 0.000 0.211 40 D C 1.434 177.696 176.300 -0.062 0.000 0.964 40 D CA 0.771 54.737 54.000 -0.056 0.000 0.877 40 D CB 0.041 40.815 40.800 -0.044 0.000 0.924 40 D HN 0.302 nan 8.370 nan 0.000 0.515 41 A N 0.438 123.204 122.820 -0.091 0.000 2.337 41 A HA 0.068 4.388 4.320 0.000 0.000 0.227 41 A C 0.381 177.898 177.584 -0.112 0.000 1.259 41 A CA 0.098 52.072 52.037 -0.106 0.000 0.870 41 A CB -0.035 18.872 19.000 -0.155 0.000 0.927 41 A HN -0.002 nan 8.150 nan 0.000 0.497 42 D N -1.150 119.196 120.400 -0.089 0.000 2.723 42 D HA -0.132 4.508 4.640 0.000 0.000 0.236 42 D C -0.430 175.812 176.300 -0.097 0.000 1.138 42 D CA 0.816 54.769 54.000 -0.078 0.000 0.676 42 D CB -1.741 39.023 40.800 -0.061 0.000 1.069 42 D HN 0.193 nan 8.370 nan 0.000 0.430 43 V N 1.378 121.220 119.914 -0.120 0.000 2.607 43 V HA 0.163 4.283 4.120 0.000 0.000 0.289 43 V C 1.207 177.236 176.094 -0.108 0.000 1.053 43 V CA -0.743 61.477 62.300 -0.133 0.000 0.996 43 V CB 1.580 33.292 31.823 -0.185 0.000 0.995 43 V HN 0.407 nan 8.190 nan 0.000 0.476 44 N N 2.783 121.425 118.700 -0.097 0.000 2.357 44 N HA -0.066 4.674 4.740 0.000 0.000 0.257 44 N C 0.896 176.329 175.510 -0.129 0.000 1.250 44 N CA -0.195 52.798 53.050 -0.096 0.000 0.862 44 N CB 0.805 39.235 38.487 -0.094 0.000 1.066 44 N HN 0.628 nan 8.380 nan 0.000 0.468 45 L N 4.183 125.343 121.223 -0.106 0.000 2.013 45 L HA -0.195 4.145 4.340 0.000 0.000 0.212 45 L C 2.332 179.126 176.870 -0.127 0.000 1.073 45 L CA 1.898 56.679 54.840 -0.097 0.000 0.753 45 L CB -0.724 41.297 42.059 -0.064 0.000 0.890 45 L HN 0.708 nan 8.230 nan 0.000 0.432 46 E N -0.911 119.167 120.200 -0.203 0.000 2.077 46 E HA -0.166 4.184 4.350 0.000 0.000 0.193 46 E C 2.129 178.586 176.600 -0.238 0.000 0.989 46 E CA 1.652 57.906 56.400 -0.244 0.000 0.800 46 E CB -0.398 29.055 29.700 -0.411 0.000 0.746 46 E HN 0.332 nan 8.360 nan 0.000 0.452 47 V N 0.802 120.530 119.914 -0.310 0.000 2.295 47 V HA -0.282 3.838 4.120 0.000 0.000 0.246 47 V C 2.390 178.476 176.094 -0.014 0.000 1.049 47 V CA 1.950 64.163 62.300 -0.145 0.000 1.024 47 V CB -1.032 30.719 31.823 -0.120 0.000 0.648 47 V HN 0.439 nan 8.190 nan 0.000 0.447 48 A N -0.428 122.352 122.820 -0.067 0.000 1.933 48 A HA -0.216 4.104 4.320 0.000 0.000 0.218 48 A C 2.382 179.978 177.584 0.020 0.000 1.175 48 A CA 1.789 53.791 52.037 -0.059 0.000 0.628 48 A CB -0.457 18.476 19.000 -0.111 0.000 0.814 48 A HN 0.504 nan 8.150 nan 0.000 0.444 49 R N -0.367 120.131 120.500 -0.005 0.000 2.061 49 R HA -0.109 4.231 4.340 0.000 0.000 0.230 49 R C 1.757 178.084 176.300 0.046 0.000 1.140 49 R CA 1.546 57.654 56.100 0.012 0.000 0.940 49 R CB -0.425 29.867 30.300 -0.014 0.000 0.839 49 R HN 0.449 nan 8.270 nan 0.000 0.429 50 D N 0.201 120.622 120.400 0.035 0.000 2.123 50 D HA -0.197 4.443 4.640 0.000 0.000 0.196 50 D C 1.568 177.912 176.300 0.073 0.000 0.992 50 D CA 1.042 55.064 54.000 0.037 0.000 0.833 50 D CB -0.331 40.480 40.800 0.018 0.000 0.954 50 D HN 0.051 nan 8.370 nan 0.000 0.455 51 F N 1.556 121.480 119.950 -0.043 0.000 2.011 51 F HA -0.289 4.238 4.527 0.000 0.000 0.296 51 F C 2.417 178.203 175.800 -0.024 0.000 1.144 51 F CA 1.387 59.366 58.000 -0.035 0.000 1.185 51 F CB -0.597 38.377 39.000 -0.043 0.000 0.961 51 F HN -0.200 nan 8.300 nan 0.000 0.485 52 V N 0.528 120.661 119.914 0.366 0.000 2.392 52 V HA -0.300 3.820 4.120 0.000 0.000 0.249 52 V C 2.476 178.624 176.094 0.090 0.000 1.059 52 V CA 2.211 64.641 62.300 0.216 0.000 1.051 52 V CB -0.749 31.154 31.823 0.134 0.000 0.658 52 V HN 0.433 nan 8.190 nan 0.000 0.455 53 E N 1.282 121.519 120.200 0.061 0.000 2.058 53 E HA -0.270 4.081 4.350 0.000 0.000 0.194 53 E C 2.437 179.038 176.600 0.001 0.000 0.997 53 E CA 2.101 58.516 56.400 0.025 0.000 0.801 53 E CB -0.105 29.605 29.700 0.017 0.000 0.746 53 E HN 0.788 nan 8.360 nan 0.000 0.450 54 R N -0.198 120.287 120.500 -0.025 0.000 2.148 54 R HA 0.004 4.344 4.340 0.000 0.000 0.223 54 R C 2.376 178.640 176.300 -0.061 0.000 1.088 54 R CA 1.102 57.170 56.100 -0.053 0.000 0.985 54 R CB -0.617 29.630 30.300 -0.089 0.000 0.880 54 R HN -0.038 nan 8.270 nan 0.000 0.451 55 V N 1.751 121.627 119.914 -0.064 0.000 2.343 55 V HA -0.227 3.893 4.120 0.000 0.000 0.247 55 V C 2.774 178.865 176.094 -0.005 0.000 1.051 55 V CA 2.223 64.498 62.300 -0.043 0.000 1.036 55 V CB -0.680 31.148 31.823 0.007 0.000 0.654 55 V HN 0.430 nan 8.190 nan 0.000 0.451 56 R N -0.100 120.405 120.500 0.009 0.000 2.062 56 R HA -0.142 4.198 4.340 0.000 0.000 0.231 56 R C 2.321 178.623 176.300 0.004 0.000 1.136 56 R CA 1.569 57.676 56.100 0.012 0.000 0.948 56 R CB -0.206 30.104 30.300 0.018 0.000 0.845 56 R HN 0.437 nan 8.270 nan 0.000 0.430 57 E N 0.796 120.995 120.200 -0.002 0.000 2.051 57 E HA -0.229 4.121 4.350 0.000 0.000 0.192 57 E C 1.790 178.386 176.600 -0.007 0.000 0.991 57 E CA 1.352 57.750 56.400 -0.004 0.000 0.799 57 E CB -0.223 29.473 29.700 -0.006 0.000 0.748 57 E HN 0.530 nan 8.360 nan 0.000 0.449 58 E N 0.418 120.610 120.200 -0.013 0.000 2.106 58 E HA -0.131 4.219 4.350 0.000 0.000 0.192 58 E C 1.936 178.532 176.600 -0.006 0.000 0.984 58 E CA 0.910 57.302 56.400 -0.013 0.000 0.806 58 E CB 0.034 29.721 29.700 -0.023 0.000 0.750 58 E HN 0.177 nan 8.360 nan 0.000 0.458 59 A N 0.952 123.770 122.820 -0.004 0.000 1.873 59 A HA -0.130 4.190 4.320 0.000 0.000 0.215 59 A C 2.174 179.760 177.584 0.003 0.000 1.186 59 A CA 1.008 53.047 52.037 0.002 0.000 0.616 59 A CB -0.648 18.356 19.000 0.008 0.000 0.823 59 A HN 0.285 nan 8.150 nan 0.000 0.442 60 L N -0.554 120.670 121.223 0.003 0.000 2.046 60 L HA -0.141 4.199 4.340 0.000 0.000 0.208 60 L C 2.737 179.607 176.870 0.001 0.000 1.077 60 L CA 1.128 55.970 54.840 0.003 0.000 0.747 60 L CB -0.787 41.274 42.059 0.003 0.000 0.896 60 L HN 0.495 nan 8.230 nan 0.000 0.432 61 G N -0.408 108.392 108.800 -0.000 0.000 2.535 61 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 61 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 61 G C 1.395 176.294 174.900 -0.001 0.000 1.122 61 G CA 0.351 45.451 45.100 -0.001 0.000 0.769 61 G HN 0.320 nan 8.290 nan 0.000 0.549 62 K N -0.166 120.234 120.400 -0.000 0.000 2.498 62 K HA 0.166 4.486 4.320 0.000 0.000 0.207 62 K C 0.386 176.986 176.600 0.000 0.000 1.033 62 K CA -0.250 56.037 56.287 -0.000 0.000 1.138 62 K CB 0.541 33.041 32.500 0.000 0.000 0.860 62 K HN 0.023 nan 8.250 nan 0.000 0.490 63 Q N -0.514 119.287 119.800 0.001 0.000 2.453 63 Q HA -0.185 4.155 4.340 0.000 0.000 0.294 63 Q C 0.833 176.834 176.000 0.002 0.000 1.295 63 Q CA 0.556 56.359 55.803 0.001 0.000 0.853 63 Q CB -2.485 26.253 28.738 0.000 0.000 1.193 63 Q HN 0.275 nan 8.270 nan 0.000 0.461 64 V N -0.598 119.318 119.914 0.003 0.000 2.469 64 V HA -0.222 3.898 4.120 0.000 0.000 0.251 64 V C 1.416 177.513 176.094 0.005 0.000 1.064 64 V CA 2.296 64.599 62.300 0.005 0.000 1.066 64 V CB -0.079 31.748 31.823 0.007 0.000 0.667 64 V HN 0.671 nan 8.190 nan 0.000 0.461 65 L N -0.414 120.812 121.223 0.004 0.000 2.552 65 L HA 0.055 4.395 4.340 0.000 0.000 0.227 65 L C 1.930 178.802 176.870 0.003 0.000 1.146 65 L CA 0.984 55.827 54.840 0.004 0.000 0.858 65 L CB -0.300 41.762 42.059 0.004 0.000 0.969 65 L HN 0.457 nan 8.230 nan 0.000 0.451 66 E N -1.416 118.785 120.200 0.003 0.000 2.562 66 E HA 0.078 4.428 4.350 0.000 0.000 0.214 66 E C 0.536 177.136 176.600 0.001 0.000 0.979 66 E CA -0.178 56.223 56.400 0.002 0.000 1.002 66 E CB 0.875 30.576 29.700 0.001 0.000 1.048 66 E HN 0.089 nan 8.360 nan 0.000 0.488 67 S N 0.602 116.303 115.700 0.002 0.000 2.580 67 S HA 0.181 4.651 4.470 0.000 0.000 0.274 67 S C 0.874 175.475 174.600 0.001 0.000 1.329 67 S CA -0.368 57.832 58.200 0.001 0.000 1.036 67 S CB 0.657 63.858 63.200 0.002 0.000 0.919 67 S HN 0.187 nan 8.310 nan 0.000 0.515 68 L N 3.187 124.410 121.223 0.000 0.000 2.509 68 L HA 0.167 4.507 4.340 0.000 0.000 0.222 68 L C 1.068 177.938 176.870 0.001 0.000 1.123 68 L CA 0.398 55.238 54.840 0.000 0.000 0.856 68 L CB -0.005 42.053 42.059 -0.001 0.000 0.985 68 L HN 0.798 nan 8.230 nan 0.000 0.456 69 T N -4.606 109.948 114.554 0.000 0.000 3.514 69 T HA 0.299 4.649 4.350 0.000 0.000 0.259 69 T C -2.144 172.558 174.700 0.002 0.000 1.466 69 T CA -1.328 60.772 62.100 0.001 0.000 1.562 69 T CB 0.549 69.416 68.868 -0.002 0.000 0.924 69 T HN -0.171 nan 8.240 nan 0.000 0.678 70 P HA -0.101 nan 4.420 nan 0.000 0.215 70 P C 1.921 179.227 177.300 0.011 0.000 1.157 70 P CA 1.432 64.536 63.100 0.007 0.000 0.874 70 P CB -0.072 31.632 31.700 0.008 0.000 0.790 71 A N -0.292 122.535 122.820 0.011 0.000 1.940 71 A HA -0.241 4.079 4.320 0.000 0.000 0.219 71 A C 2.168 179.761 177.584 0.015 0.000 1.176 71 A CA 1.881 53.928 52.037 0.016 0.000 0.631 71 A CB -1.221 17.788 19.000 0.015 0.000 0.814 71 A HN 0.086 nan 8.150 nan 0.000 0.446 72 E N -0.440 119.765 120.200 0.008 0.000 2.106 72 E HA -0.064 4.286 4.350 0.000 0.000 0.192 72 E C 2.067 178.669 176.600 0.004 0.000 0.984 72 E CA 1.036 57.438 56.400 0.003 0.000 0.806 72 E CB -0.542 29.156 29.700 -0.005 0.000 0.750 72 E HN 0.342 nan 8.360 nan 0.000 0.458 73 V N 0.987 120.904 119.914 0.005 0.000 2.307 73 V HA -0.218 3.902 4.120 0.000 0.000 0.245 73 V C 2.113 178.216 176.094 0.015 0.000 1.045 73 V CA 1.165 63.469 62.300 0.006 0.000 1.024 73 V CB -0.346 31.480 31.823 0.006 0.000 0.651 73 V HN 0.254 nan 8.190 nan 0.000 0.449 74 I N -0.275 120.307 120.570 0.021 0.000 2.286 74 I HA -0.198 3.972 4.170 0.000 0.000 0.248 74 I C 2.382 178.527 176.117 0.045 0.000 1.115 74 I CA 1.566 62.885 61.300 0.031 0.000 1.392 74 I CB -1.153 36.868 38.000 0.034 0.000 1.065 74 I HN 0.327 nan 8.210 nan 0.000 0.418 75 L N 1.378 122.627 121.223 0.043 0.000 2.083 75 L HA -0.116 4.224 4.340 0.000 0.000 0.209 75 L C 2.514 179.429 176.870 0.076 0.000 1.083 75 L CA 2.144 57.020 54.840 0.059 0.000 0.752 75 L CB -0.828 41.253 42.059 0.037 0.000 0.899 75 L HN 0.175 nan 8.230 nan 0.000 0.433 76 A N -1.159 121.688 122.820 0.045 0.000 1.898 76 A HA -0.186 4.134 4.320 0.000 0.000 0.216 76 A C 2.363 180.005 177.584 0.096 0.000 1.181 76 A CA 2.149 54.217 52.037 0.052 0.000 0.620 76 A CB -1.303 17.701 19.000 0.007 0.000 0.819 76 A HN 0.611 nan 8.150 nan 0.000 0.442 77 T N -2.837 111.746 114.554 0.048 0.000 2.867 77 T HA -0.065 4.285 4.350 0.000 0.000 0.268 77 T C 1.666 176.346 174.700 -0.033 0.000 1.057 77 T CA 1.435 63.540 62.100 0.009 0.000 1.136 77 T CB -0.598 68.265 68.868 -0.009 0.000 0.874 77 T HN 0.042 nan 8.240 nan 0.000 0.466 78 V N 0.744 120.670 119.914 0.020 0.000 2.427 78 V HA -0.060 4.060 4.120 0.000 0.000 0.248 78 V C 2.251 178.348 176.094 0.006 0.000 1.051 78 V CA 1.655 63.963 62.300 0.014 0.000 1.048 78 V CB -0.958 30.951 31.823 0.143 0.000 0.666 78 V HN 0.635 nan 8.190 nan 0.000 0.456 79 Y N 1.257 121.543 120.300 -0.024 0.000 2.181 79 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 79 Y C 2.547 178.415 175.900 -0.053 0.000 1.146 79 Y CA 1.936 60.030 58.100 -0.010 0.000 1.164 79 Y CB -0.072 38.386 38.460 -0.003 0.000 0.982 79 Y HN 0.221 nan 8.280 nan 0.000 0.515 80 E N 0.521 120.676 120.200 -0.075 0.000 2.072 80 E HA -0.159 4.191 4.350 0.000 0.000 0.191 80 E C 2.426 178.848 176.600 -0.297 0.000 0.985 80 E CA 1.093 57.388 56.400 -0.175 0.000 0.801 80 E CB -0.614 29.072 29.700 -0.024 0.000 0.750 80 E HN 0.603 nan 8.360 nan 0.000 0.452 81 A N 1.076 123.646 122.820 -0.418 0.000 1.933 81 A HA -0.108 4.212 4.320 0.000 0.000 0.218 81 A C 2.344 179.568 177.584 -0.599 0.000 1.175 81 A CA 0.871 52.482 52.037 -0.710 0.000 0.628 81 A CB -0.584 17.573 19.000 -1.405 0.000 0.814 81 A HN 0.176 nan 8.150 nan 0.000 0.444 82 L N -0.780 120.213 121.223 -0.384 0.000 2.056 82 L HA -0.162 4.178 4.340 0.000 0.000 0.207 82 L C 2.656 179.463 176.870 -0.105 0.000 1.078 82 L CA 1.845 56.687 54.840 0.002 0.000 0.749 82 L CB -0.306 41.793 42.059 0.066 0.000 0.901 82 L HN 0.493 nan 8.230 nan 0.000 0.433 83 K N 0.152 120.366 120.400 -0.309 0.000 2.063 83 K HA -0.276 4.044 4.320 0.000 0.000 0.208 83 K C 1.992 178.518 176.600 -0.123 0.000 1.048 83 K CA 1.812 57.929 56.287 -0.283 0.000 0.928 83 K CB -0.036 32.191 32.500 -0.456 0.000 0.713 83 K HN 0.303 nan 8.250 nan 0.000 0.442 84 E N 0.039 120.165 120.200 -0.123 0.000 2.031 84 E HA -0.200 4.150 4.350 0.000 0.000 0.193 84 E C 1.859 178.458 176.600 -0.000 0.000 0.994 84 E CA 1.119 57.483 56.400 -0.059 0.000 0.800 84 E CB -0.219 29.433 29.700 -0.080 0.000 0.752 84 E HN 0.412 nan 8.360 nan 0.000 0.447 85 A N 1.020 123.855 122.820 0.026 0.000 1.986 85 A HA -0.169 4.151 4.320 0.000 0.000 0.220 85 A C 2.148 179.787 177.584 0.092 0.000 1.171 85 A CA 1.391 53.481 52.037 0.087 0.000 0.640 85 A CB -0.591 18.516 19.000 0.178 0.000 0.811 85 A HN 0.345 nan 8.150 nan 0.000 0.451 86 L N -2.054 119.232 121.223 0.105 0.000 2.558 86 L HA 0.269 4.609 4.340 0.000 0.000 0.225 86 L C 1.611 178.608 176.870 0.212 0.000 1.128 86 L CA 0.589 55.550 54.840 0.203 0.000 0.868 86 L CB 0.072 42.268 42.059 0.228 0.000 1.006 86 L HN 0.571 nan 8.230 nan 0.000 0.454 87 G N -1.683 107.180 108.800 0.104 0.000 2.227 87 G HA2 -0.029 3.931 3.960 0.000 0.000 0.168 87 G HA3 -0.029 3.931 3.960 0.000 0.000 0.168 87 G C 0.783 175.715 174.900 0.054 0.000 1.006 87 G CA -0.331 44.817 45.100 0.081 0.000 0.684 87 G HN 0.542 nan 8.290 nan 0.000 0.489 88 G N 0.485 109.302 108.800 0.028 0.000 2.889 88 G HA2 -0.256 3.704 3.960 0.000 0.000 0.308 88 G HA3 -0.256 3.704 3.960 0.000 0.000 0.308 88 G C 0.300 175.217 174.900 0.029 0.000 1.248 88 G CA 1.485 46.590 45.100 0.009 0.000 0.982 88 G HN 1.803 nan 8.290 nan 0.000 0.571 89 E N 1.525 121.750 120.200 0.042 0.000 2.277 89 E HA 0.620 4.970 4.350 0.000 0.000 0.274 89 E C 0.499 177.142 176.600 0.073 0.000 1.022 89 E CA -0.225 56.209 56.400 0.056 0.000 0.853 89 E CB 1.219 30.949 29.700 0.050 0.000 1.086 89 E HN 1.118 nan 8.360 nan 0.000 0.397 90 A N 4.272 127.145 122.820 0.087 0.000 2.386 90 A HA 0.447 4.767 4.320 0.000 0.000 0.248 90 A C -0.324 177.300 177.584 0.067 0.000 1.082 90 A CA -0.326 51.762 52.037 0.084 0.000 0.789 90 A CB 0.334 19.397 19.000 0.105 0.000 1.025 90 A HN 0.767 nan 8.150 nan 0.000 0.490 91 R N 0.943 121.480 120.500 0.062 0.000 2.680 91 R HA 0.784 5.124 4.340 0.000 0.000 0.269 91 R C -1.910 174.411 176.300 0.035 0.000 1.026 91 R CA -0.768 55.375 56.100 0.071 0.000 0.889 91 R CB 1.192 31.573 30.300 0.135 0.000 1.241 91 R HN 0.537 nan 8.270 nan 0.000 0.463 92 L N 0.740 121.889 121.223 -0.123 0.000 2.415 92 L HA 0.550 4.890 4.340 0.000 0.000 0.256 92 L C -2.427 174.127 176.870 -0.527 0.000 1.010 92 L CA -2.539 52.040 54.840 -0.435 0.000 0.826 92 L CB 2.804 44.709 42.059 -0.256 0.000 1.405 92 L HN 0.414 nan 8.230 nan 0.000 0.410 93 P HA -0.024 nan 4.420 nan 0.000 0.267 93 P C -0.753 176.490 177.300 -0.095 0.000 1.200 93 P CA -0.094 62.680 63.100 -0.543 0.000 0.772 93 P CB 0.616 31.848 31.700 -0.780 0.000 0.855 94 V N 5.156 125.051 119.914 -0.032 0.000 2.408 94 V HA 0.202 4.322 4.120 0.000 0.000 0.267 94 V C -0.344 175.826 176.094 0.126 0.000 1.047 94 V CA -0.359 61.975 62.300 0.056 0.000 0.937 94 V CB -0.607 31.238 31.823 0.036 0.000 0.999 94 V HN 0.269 nan 8.190 nan 0.000 0.472 95 L N 7.457 128.779 121.223 0.165 0.000 2.395 95 L HA 0.521 4.861 4.340 0.000 0.000 0.269 95 L C 0.410 177.336 176.870 0.094 0.000 1.133 95 L CA 0.016 54.953 54.840 0.161 0.000 0.812 95 L CB 0.897 43.040 42.059 0.140 0.000 1.125 95 L HN 0.646 nan 8.230 nan 0.000 0.452 96 K N 0.599 121.041 120.400 0.070 0.000 2.246 96 K HA 0.366 4.686 4.320 0.000 0.000 0.239 96 K C 0.043 176.652 176.600 0.015 0.000 1.089 96 K CA -0.818 55.495 56.287 0.043 0.000 0.892 96 K CB 0.587 33.114 32.500 0.045 0.000 1.334 96 K HN 0.292 nan 8.250 nan 0.000 0.507 97 D N 0.161 120.566 120.400 0.008 0.000 2.144 97 D HA -0.102 4.538 4.640 0.000 0.000 0.200 97 D C 0.118 176.404 176.300 -0.023 0.000 0.978 97 D CA 1.262 55.259 54.000 -0.005 0.000 0.833 97 D CB 0.304 41.103 40.800 -0.001 0.000 0.961 97 D HN 0.094 nan 8.370 nan 0.000 0.470 98 R N 1.086 121.575 120.500 -0.018 0.000 2.439 98 R HA 0.352 4.692 4.340 0.000 0.000 0.310 98 R C -1.760 174.521 176.300 -0.032 0.000 0.955 98 R CA -0.454 55.626 56.100 -0.032 0.000 0.853 98 R CB 0.469 30.759 30.300 -0.015 0.000 1.171 98 R HN -0.048 nan 8.270 nan 0.000 0.449 99 N N 3.695 122.338 118.700 -0.095 0.000 2.296 99 N HA 0.425 5.165 4.740 0.000 0.000 0.294 99 N C -1.330 174.070 175.510 -0.184 0.000 1.033 99 N CA -0.617 52.364 53.050 -0.115 0.000 0.839 99 N CB 2.733 41.057 38.487 -0.273 0.000 1.395 99 N HN 0.446 nan 8.380 nan 0.000 0.479 100 L N 2.183 123.413 121.223 0.011 0.000 2.372 100 L HA 0.664 5.004 4.340 0.000 0.000 0.274 100 L C -1.645 175.447 176.870 0.370 0.000 0.988 100 L CA -0.529 54.357 54.840 0.077 0.000 0.833 100 L CB 0.769 42.892 42.059 0.107 0.000 1.236 100 L HN 0.518 nan 8.230 nan 0.000 0.410 101 W N 3.788 125.141 121.300 0.088 0.000 2.689 101 W HA 0.493 5.153 4.660 0.000 0.000 0.340 101 W C -0.814 175.909 176.519 0.341 0.000 1.060 101 W CA -1.217 56.206 57.345 0.130 0.000 1.218 101 W CB 1.352 30.846 29.460 0.056 0.000 1.410 101 W HN 0.148 nan 8.180 nan 0.000 0.528 102 F N 2.250 122.337 119.950 0.227 0.000 2.436 102 F HA 0.499 5.026 4.527 0.000 0.000 0.340 102 F C -0.214 175.650 175.800 0.107 0.000 1.113 102 F CA -1.765 56.315 58.000 0.133 0.000 1.022 102 F CB 1.013 40.071 39.000 0.097 0.000 1.128 102 F HN -0.172 nan 8.300 nan 0.000 0.466 103 L N 5.061 126.399 121.223 0.192 0.000 2.294 103 L HA 0.601 4.941 4.340 0.000 0.000 0.283 103 L C -0.379 176.515 176.870 0.039 0.000 1.015 103 L CA -0.613 54.288 54.840 0.100 0.000 0.831 103 L CB 1.258 43.356 42.059 0.065 0.000 1.217 103 L HN 0.424 nan 8.230 nan 0.000 0.420 104 V N 0.336 120.251 119.914 0.001 0.000 2.919 104 V HA 1.132 5.252 4.120 0.000 0.000 0.316 104 V C 0.111 176.026 176.094 -0.300 0.000 1.077 104 V CA -0.163 62.100 62.300 -0.062 0.000 0.977 104 V CB 1.541 33.387 31.823 0.037 0.000 1.039 104 V HN 0.819 nan 8.190 nan 0.000 0.441 105 G N 1.220 109.827 108.800 -0.323 0.000 2.337 105 G HA2 0.322 4.282 3.960 0.000 0.000 0.298 105 G HA3 0.322 4.282 3.960 0.000 0.000 0.298 105 G C -1.559 173.355 174.900 0.022 0.000 1.335 105 G CA -0.821 44.051 45.100 -0.379 0.000 0.875 105 G HN 0.963 nan 8.290 nan 0.000 0.579 106 L N 0.711 121.965 121.223 0.052 0.000 2.439 106 L HA 0.456 4.796 4.340 0.000 0.000 0.261 106 L C 1.193 178.094 176.870 0.052 0.000 1.153 106 L CA -0.672 54.234 54.840 0.111 0.000 0.808 106 L CB 1.349 43.468 42.059 0.101 0.000 1.126 106 L HN 0.775 nan 8.230 nan 0.000 0.460 107 Q N 1.282 121.113 119.800 0.052 0.000 2.289 107 Q HA 0.246 4.586 4.340 0.000 0.000 0.273 107 Q C 0.672 176.685 176.000 0.022 0.000 1.029 107 Q CA 0.710 56.531 55.803 0.030 0.000 0.896 107 Q CB 0.625 29.380 28.738 0.027 0.000 1.182 107 Q HN 0.873 nan 8.270 nan 0.000 0.385 108 G N 2.616 111.424 108.800 0.013 0.000 2.179 108 G HA2 -0.315 3.645 3.960 0.000 0.000 0.220 108 G HA3 -0.315 3.645 3.960 0.000 0.000 0.220 108 G C 0.627 175.532 174.900 0.007 0.000 0.990 108 G CA 0.410 45.517 45.100 0.011 0.000 0.646 108 G HN 0.918 nan 8.290 nan 0.000 0.517 109 S N -0.193 115.508 115.700 0.002 0.000 2.527 109 S HA 0.423 4.893 4.470 0.000 0.000 0.222 109 S C 2.122 176.716 174.600 -0.010 0.000 0.985 109 S CA 1.456 59.651 58.200 -0.009 0.000 0.921 109 S CB 0.328 63.511 63.200 -0.028 0.000 0.772 109 S HN 2.362 nan 8.310 nan 0.000 0.529 110 G N 1.494 110.291 108.800 -0.005 0.000 2.163 110 G HA2 -0.281 3.679 3.960 0.000 0.000 0.213 110 G HA3 -0.281 3.679 3.960 0.000 0.000 0.213 110 G C 0.645 175.540 174.900 -0.007 0.000 0.991 110 G CA 0.377 45.475 45.100 -0.003 0.000 0.653 110 G HN 0.516 nan 8.290 nan 0.000 0.518 111 K N 0.036 120.427 120.400 -0.014 0.000 2.001 111 K HA -0.147 4.173 4.320 0.000 0.000 0.214 111 K C 2.524 179.120 176.600 -0.007 0.000 1.050 111 K CA 2.409 58.687 56.287 -0.017 0.000 0.934 111 K CB -0.417 32.070 32.500 -0.023 0.000 0.718 111 K HN 0.315 nan 8.250 nan 0.000 0.443 112 T N 0.364 114.915 114.554 -0.005 0.000 2.652 112 T HA -0.158 4.192 4.350 0.000 0.000 0.267 112 T C 1.869 176.568 174.700 -0.001 0.000 1.039 112 T CA 2.197 64.295 62.100 -0.004 0.000 1.153 112 T CB -0.608 68.258 68.868 -0.003 0.000 0.863 112 T HN 0.611 nan 8.240 nan 0.000 0.428 113 T N 0.542 115.096 114.554 0.000 0.000 2.746 113 T HA -0.130 4.220 4.350 0.000 0.000 0.267 113 T C 2.119 176.819 174.700 0.001 0.000 1.039 113 T CA 1.689 63.791 62.100 0.003 0.000 1.142 113 T CB -1.120 67.751 68.868 0.005 0.000 0.866 113 T HN 0.289 nan 8.240 nan 0.000 0.444 114 T N 2.168 116.720 114.554 -0.003 0.000 2.720 114 T HA 0.010 4.360 4.350 0.000 0.000 0.268 114 T C 2.470 177.163 174.700 -0.012 0.000 1.037 114 T CA 1.281 63.374 62.100 -0.012 0.000 1.144 114 T CB -0.832 68.029 68.868 -0.012 0.000 0.864 114 T HN 0.599 nan 8.240 nan 0.000 0.444 115 A N 1.536 124.357 122.820 0.002 0.000 1.892 115 A HA 0.014 4.334 4.320 0.000 0.000 0.218 115 A C 2.653 180.243 177.584 0.009 0.000 1.188 115 A CA 2.130 54.174 52.037 0.012 0.000 0.631 115 A CB -1.220 17.785 19.000 0.009 0.000 0.822 115 A HN 0.532 nan 8.150 nan 0.000 0.447 116 A N -0.562 122.262 122.820 0.006 0.000 1.877 116 A HA -0.151 4.169 4.320 0.000 0.000 0.216 116 A C 2.133 179.728 177.584 0.020 0.000 1.186 116 A CA 1.829 53.873 52.037 0.010 0.000 0.620 116 A CB -0.463 18.542 19.000 0.008 0.000 0.822 116 A HN 0.535 nan 8.150 nan 0.000 0.443 117 K N -1.024 119.385 120.400 0.014 0.000 2.097 117 K HA -0.104 4.216 4.320 0.000 0.000 0.206 117 K C 1.847 178.466 176.600 0.031 0.000 1.049 117 K CA 1.233 57.533 56.287 0.022 0.000 0.933 117 K CB -0.305 32.200 32.500 0.008 0.000 0.717 117 K HN 0.341 nan 8.250 nan 0.000 0.442 118 L N 0.899 122.118 121.223 -0.006 0.000 2.083 118 L HA -0.121 4.219 4.340 0.000 0.000 0.209 118 L C 2.170 179.143 176.870 0.172 0.000 1.083 118 L CA 1.648 56.492 54.840 0.007 0.000 0.752 118 L CB -0.712 41.327 42.059 -0.033 0.000 0.899 118 L HN 0.114 nan 8.230 nan 0.000 0.433 119 A N -0.962 121.913 122.820 0.091 0.000 1.877 119 A HA -0.207 4.113 4.320 0.000 0.000 0.216 119 A C 2.219 179.858 177.584 0.092 0.000 1.186 119 A CA 1.850 53.932 52.037 0.075 0.000 0.620 119 A CB -0.950 18.063 19.000 0.022 0.000 0.822 119 A HN 0.415 nan 8.150 nan 0.000 0.443 120 L N -1.514 119.756 121.223 0.077 0.000 2.046 120 L HA -0.146 4.194 4.340 0.000 0.000 0.208 120 L C 2.283 179.196 176.870 0.070 0.000 1.077 120 L CA 2.423 57.300 54.840 0.061 0.000 0.747 120 L CB -1.014 41.077 42.059 0.053 0.000 0.896 120 L HN 0.535 nan 8.230 nan 0.000 0.432 121 Y N -0.836 119.454 120.300 -0.018 0.000 2.070 121 Y HA -0.348 4.202 4.550 -0.000 0.000 0.280 121 Y C 2.310 178.141 175.900 -0.115 0.000 1.148 121 Y CA 2.277 60.328 58.100 -0.081 0.000 1.125 121 Y CB -0.715 37.652 38.460 -0.156 0.000 0.975 121 Y HN 0.267 nan 8.280 nan 0.000 0.492 122 Y N 0.675 121.000 120.300 0.042 0.000 2.352 122 Y HA -0.144 4.406 4.550 -0.000 0.000 0.292 122 Y C 2.585 178.419 175.900 -0.110 0.000 1.136 122 Y CA 1.690 59.754 58.100 -0.061 0.000 1.227 122 Y CB -0.395 38.074 38.460 0.015 0.000 0.991 122 Y HN 0.148 nan 8.280 nan 0.000 0.545 123 K N 0.139 120.570 120.400 0.052 0.000 2.057 123 K HA -0.126 4.194 4.320 0.000 0.000 0.207 123 K C 2.205 178.777 176.600 -0.046 0.000 1.049 123 K CA 1.449 57.739 56.287 0.004 0.000 0.931 123 K CB -0.621 31.882 32.500 0.005 0.000 0.714 123 K HN 0.355 nan 8.250 nan 0.000 0.440 124 G N 0.565 109.304 108.800 -0.102 0.000 2.679 124 G HA2 -0.115 3.846 3.960 0.000 0.000 0.212 124 G HA3 -0.115 3.846 3.960 0.000 0.000 0.212 124 G C 1.020 175.817 174.900 -0.172 0.000 1.137 124 G CA 0.154 45.176 45.100 -0.130 0.000 0.787 124 G HN 0.176 nan 8.290 nan 0.000 0.534 125 K N 0.117 120.400 120.400 -0.195 0.000 2.399 125 K HA 0.224 4.544 4.320 0.000 0.000 0.204 125 K C 1.230 177.801 176.600 -0.048 0.000 1.023 125 K CA 0.337 56.526 56.287 -0.164 0.000 1.127 125 K CB 0.881 33.229 32.500 -0.253 0.000 0.856 125 K HN 0.280 nan 8.250 nan 0.000 0.514 126 G N 2.361 111.141 108.800 -0.033 0.000 2.142 126 G HA2 -0.197 3.763 3.960 0.000 0.000 0.225 126 G HA3 -0.197 3.763 3.960 0.000 0.000 0.225 126 G C -0.209 174.694 174.900 0.005 0.000 1.015 126 G CA -0.272 44.822 45.100 -0.010 0.000 0.716 126 G HN 0.075 nan 8.290 nan 0.000 0.508 127 R N -0.581 119.927 120.500 0.014 0.000 2.828 127 R HA 0.691 5.032 4.340 0.000 0.000 0.264 127 R C 0.264 176.554 176.300 -0.017 0.000 1.022 127 R CA -1.129 54.973 56.100 0.002 0.000 1.021 127 R CB 0.771 31.083 30.300 0.020 0.000 1.163 127 R HN 0.290 nan 8.270 nan 0.000 0.494 128 R N 1.807 122.283 120.500 -0.040 0.000 2.505 128 R HA 0.295 4.635 4.340 0.000 0.000 0.284 128 R C -2.172 174.090 176.300 -0.063 0.000 1.324 128 R CA -1.551 54.525 56.100 -0.040 0.000 1.432 128 R CB 1.279 31.558 30.300 -0.036 0.000 1.107 128 R HN 0.358 nan 8.270 nan 0.000 0.587 129 P HA 0.127 nan 4.420 nan 0.000 0.276 129 P C -1.006 176.253 177.300 -0.069 0.000 1.244 129 P CA -0.582 62.462 63.100 -0.094 0.000 0.801 129 P CB 1.145 32.795 31.700 -0.083 0.000 1.006 130 L N 1.992 123.167 121.223 -0.080 0.000 2.439 130 L HA 0.435 4.775 4.340 0.000 0.000 0.270 130 L C -1.330 175.510 176.870 -0.050 0.000 0.972 130 L CA -0.638 54.170 54.840 -0.054 0.000 0.836 130 L CB 1.116 43.146 42.059 -0.048 0.000 1.255 130 L HN 0.169 nan 8.230 nan 0.000 0.404 131 L N 5.483 126.685 121.223 -0.034 0.000 2.326 131 L HA 0.624 4.964 4.340 0.000 0.000 0.278 131 L C -0.621 176.234 176.870 -0.025 0.000 1.092 131 L CA -0.605 54.219 54.840 -0.027 0.000 0.810 131 L CB 1.659 43.707 42.059 -0.019 0.000 1.153 131 L HN 0.410 nan 8.230 nan 0.000 0.439 132 V N 2.984 122.883 119.914 -0.026 0.000 2.444 132 V HA 0.461 4.581 4.120 0.000 0.000 0.294 132 V C 0.176 176.245 176.094 -0.041 0.000 1.022 132 V CA -0.704 61.577 62.300 -0.030 0.000 0.850 132 V CB 1.653 33.458 31.823 -0.029 0.000 0.992 132 V HN 0.818 nan 8.190 nan 0.000 0.426 133 A N 3.812 126.611 122.820 -0.035 0.000 2.527 133 A HA 0.660 4.980 4.320 0.000 0.000 0.313 133 A C 1.154 178.709 177.584 -0.048 0.000 1.410 133 A CA 0.241 52.255 52.037 -0.038 0.000 1.060 133 A CB 0.448 19.433 19.000 -0.025 0.000 1.137 133 A HN 1.262 nan 8.150 nan 0.000 0.542 134 A N 2.112 124.889 122.820 -0.073 0.000 2.259 134 A HA 0.124 4.444 4.320 0.000 0.000 0.208 134 A C 0.689 178.235 177.584 -0.064 0.000 1.201 134 A CA 0.138 52.124 52.037 -0.085 0.000 0.824 134 A CB -0.158 18.747 19.000 -0.158 0.000 0.838 134 A HN 0.665 nan 8.150 nan 0.000 0.485 135 D N 0.924 121.297 120.400 -0.045 0.000 2.338 135 D HA 0.136 4.776 4.640 0.000 0.000 0.255 135 D C 1.311 177.597 176.300 -0.022 0.000 1.237 135 D CA 0.805 54.787 54.000 -0.030 0.000 0.883 135 D CB 1.014 41.802 40.800 -0.020 0.000 1.087 135 D HN 0.297 nan 8.370 nan 0.000 0.485 136 T N 0.383 114.925 114.554 -0.020 0.000 3.107 136 T HA 0.026 4.376 4.350 0.000 0.000 0.249 136 T C 1.307 176.001 174.700 -0.009 0.000 1.096 136 T CA 0.470 62.562 62.100 -0.014 0.000 1.012 136 T CB 0.272 69.133 68.868 -0.012 0.000 0.977 136 T HN 0.337 nan 8.240 nan 0.000 0.527 137 Q N 0.497 120.292 119.800 -0.009 0.000 2.387 137 Q HA 0.261 4.601 4.340 0.000 0.000 0.212 137 Q C 0.539 176.536 176.000 -0.005 0.000 0.925 137 Q CA 0.251 56.051 55.803 -0.006 0.000 0.901 137 Q CB 0.608 29.343 28.738 -0.005 0.000 1.020 137 Q HN 0.376 nan 8.270 nan 0.000 0.545 138 R N 1.532 122.028 120.500 -0.006 0.000 2.215 138 R HA 0.193 4.533 4.340 0.000 0.000 0.337 138 R C -2.158 174.139 176.300 -0.005 0.000 1.010 138 R CA -1.648 54.449 56.100 -0.004 0.000 0.871 138 R CB 1.001 31.300 30.300 -0.002 0.000 1.134 138 R HN -0.002 nan 8.270 nan 0.000 0.477 139 P HA -0.098 nan 4.420 nan 0.000 0.223 139 P C 0.901 178.198 177.300 -0.004 0.000 1.151 139 P CA 0.763 63.860 63.100 -0.005 0.000 0.787 139 P CB 0.350 32.047 31.700 -0.004 0.000 0.788 140 A N 0.564 123.382 122.820 -0.003 0.000 1.873 140 A HA -0.066 4.254 4.320 0.000 0.000 0.215 140 A C 2.347 179.929 177.584 -0.003 0.000 1.186 140 A CA 2.001 54.036 52.037 -0.002 0.000 0.616 140 A CB -1.593 17.407 19.000 -0.001 0.000 0.823 140 A HN 0.185 nan 8.150 nan 0.000 0.442 141 A N 0.192 123.010 122.820 -0.003 0.000 1.873 141 A HA -0.233 4.087 4.320 0.000 0.000 0.218 141 A C 2.229 179.809 177.584 -0.007 0.000 1.193 141 A CA 1.751 53.785 52.037 -0.005 0.000 0.629 141 A CB -0.600 18.396 19.000 -0.005 0.000 0.826 141 A HN 0.574 nan 8.150 nan 0.000 0.447 142 R N -0.800 119.694 120.500 -0.009 0.000 2.105 142 R HA -0.183 4.157 4.340 0.000 0.000 0.239 142 R C 2.180 178.475 176.300 -0.009 0.000 1.135 142 R CA 1.569 57.663 56.100 -0.011 0.000 0.967 142 R CB -0.308 29.984 30.300 -0.012 0.000 0.861 142 R HN 0.671 nan 8.270 nan 0.000 0.442 143 E N 1.233 121.429 120.200 -0.006 0.000 2.106 143 E HA -0.189 4.161 4.350 0.000 0.000 0.192 143 E C 2.007 178.605 176.600 -0.004 0.000 0.984 143 E CA 1.186 57.584 56.400 -0.005 0.000 0.806 143 E CB -0.034 29.664 29.700 -0.003 0.000 0.750 143 E HN 0.270 nan 8.360 nan 0.000 0.458 144 Q N -0.366 119.432 119.800 -0.003 0.000 2.061 144 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 144 Q C 2.105 178.103 176.000 -0.003 0.000 0.984 144 Q CA 1.699 57.501 55.803 -0.002 0.000 0.846 144 Q CB -0.209 28.529 28.738 -0.001 0.000 0.902 144 Q HN 0.390 nan 8.270 nan 0.000 0.421 145 L N 1.018 122.238 121.223 -0.005 0.000 2.056 145 L HA -0.147 4.193 4.340 0.000 0.000 0.207 145 L C 2.522 179.389 176.870 -0.006 0.000 1.078 145 L CA 1.729 56.566 54.840 -0.006 0.000 0.749 145 L CB -0.635 41.418 42.059 -0.010 0.000 0.901 145 L HN 0.164 nan 8.230 nan 0.000 0.433 146 R N -0.627 119.870 120.500 -0.006 0.000 2.096 146 R HA -0.203 4.137 4.340 0.000 0.000 0.240 146 R C 2.268 178.565 176.300 -0.004 0.000 1.139 146 R CA 2.122 58.218 56.100 -0.006 0.000 0.952 146 R CB -0.449 29.848 30.300 -0.006 0.000 0.854 146 R HN 0.428 nan 8.270 nan 0.000 0.436 147 L N 0.512 121.734 121.223 -0.003 0.000 2.093 147 L HA -0.162 4.178 4.340 0.000 0.000 0.208 147 L C 2.445 179.315 176.870 0.000 0.000 1.085 147 L CA 0.918 55.757 54.840 -0.001 0.000 0.755 147 L CB -0.243 41.815 42.059 -0.000 0.000 0.904 147 L HN 0.265 nan 8.230 nan 0.000 0.435 148 L N -0.780 120.443 121.223 0.000 0.000 2.093 148 L HA -0.103 4.237 4.340 0.000 0.000 0.208 148 L C 2.652 179.523 176.870 0.002 0.000 1.085 148 L CA 1.200 56.041 54.840 0.002 0.000 0.755 148 L CB -1.049 41.011 42.059 0.002 0.000 0.904 148 L HN 0.311 nan 8.230 nan 0.000 0.435 149 G N 0.687 109.487 108.800 -0.001 0.000 2.446 149 G HA2 -0.282 3.678 3.960 0.000 0.000 0.217 149 G HA3 -0.282 3.678 3.960 0.000 0.000 0.217 149 G C 1.379 176.278 174.900 -0.001 0.000 1.168 149 G CA 0.979 46.078 45.100 -0.002 0.000 0.771 149 G HN 0.622 nan 8.290 nan 0.000 0.551 150 E N 0.257 120.456 120.200 -0.001 0.000 2.150 150 E HA -0.053 4.297 4.350 0.000 0.000 0.193 150 E C 2.253 178.853 176.600 0.001 0.000 0.985 150 E CA 0.944 57.343 56.400 -0.001 0.000 0.814 150 E CB -0.254 29.445 29.700 -0.001 0.000 0.752 150 E HN 0.374 nan 8.360 nan 0.000 0.466 151 K N 0.971 121.372 120.400 0.002 0.000 2.097 151 K HA -0.111 4.209 4.320 0.000 0.000 0.206 151 K C 2.072 178.676 176.600 0.006 0.000 1.049 151 K CA 1.707 57.997 56.287 0.004 0.000 0.933 151 K CB 0.097 32.600 32.500 0.005 0.000 0.717 151 K HN 0.267 nan 8.250 nan 0.000 0.442 152 V N -3.669 116.249 119.914 0.006 0.000 3.621 152 V HA 0.344 4.464 4.120 0.000 0.000 0.285 152 V C 0.606 176.703 176.094 0.005 0.000 1.346 152 V CA 0.251 62.556 62.300 0.009 0.000 1.104 152 V CB 0.040 31.871 31.823 0.013 0.000 0.913 152 V HN 0.307 nan 8.190 nan 0.000 0.432 153 G N 0.408 109.209 108.800 0.002 0.000 2.298 153 G HA2 -0.157 3.804 3.960 0.000 0.000 0.287 153 G HA3 -0.157 3.804 3.960 0.000 0.000 0.287 153 G C -0.238 174.660 174.900 -0.003 0.000 1.075 153 G CA 0.325 45.425 45.100 -0.001 0.000 0.960 153 G HN 1.019 nan 8.290 nan 0.000 0.502 154 V N 1.315 121.227 119.914 -0.004 0.000 2.638 154 V HA 0.565 4.685 4.120 0.000 0.000 0.306 154 V C -1.776 174.311 176.094 -0.011 0.000 1.052 154 V CA -1.646 60.649 62.300 -0.008 0.000 0.885 154 V CB 2.505 34.324 31.823 -0.007 0.000 0.999 154 V HN 0.232 nan 8.190 nan 0.000 0.424 155 P HA 0.130 nan 4.420 nan 0.000 0.267 155 P C -0.889 176.402 177.300 -0.016 0.000 1.200 155 P CA 0.157 63.248 63.100 -0.014 0.000 0.772 155 P CB 0.884 32.574 31.700 -0.016 0.000 0.855 156 V N 4.521 124.426 119.914 -0.013 0.000 2.447 156 V HA 0.250 4.370 4.120 0.000 0.000 0.292 156 V C 0.233 176.319 176.094 -0.014 0.000 1.021 156 V CA -0.672 61.619 62.300 -0.014 0.000 0.850 156 V CB 1.512 33.328 31.823 -0.012 0.000 1.005 156 V HN 0.458 nan 8.190 nan 0.000 0.426 157 L N 4.743 125.957 121.223 -0.016 0.000 2.276 157 L HA 0.557 4.897 4.340 0.000 0.000 0.286 157 L C 0.131 176.991 176.870 -0.015 0.000 1.061 157 L CA 0.001 54.833 54.840 -0.014 0.000 0.807 157 L CB 1.009 43.060 42.059 -0.013 0.000 1.177 157 L HN 0.652 nan 8.230 nan 0.000 0.429 158 E N 4.284 124.476 120.200 -0.013 0.000 2.175 158 E HA 0.317 4.667 4.350 0.000 0.000 0.278 158 E C -0.565 176.026 176.600 -0.014 0.000 0.969 158 E CA -0.800 55.591 56.400 -0.014 0.000 0.796 158 E CB 1.980 31.673 29.700 -0.012 0.000 1.104 158 E HN 0.541 nan 8.360 nan 0.000 0.395 159 V N 0.755 120.659 119.914 -0.017 0.000 2.924 159 V HA 0.288 4.408 4.120 0.000 0.000 0.305 159 V C 0.252 176.339 176.094 -0.011 0.000 1.073 159 V CA -0.645 61.646 62.300 -0.015 0.000 1.098 159 V CB 0.507 32.318 31.823 -0.020 0.000 1.000 159 V HN 0.638 nan 8.190 nan 0.000 0.484 160 M N 1.624 121.220 119.600 -0.008 0.000 2.283 160 M HA 0.352 4.832 4.480 0.000 0.000 0.314 160 M C 0.097 176.393 176.300 -0.006 0.000 1.153 160 M CA -0.417 54.879 55.300 -0.006 0.000 1.084 160 M CB 0.478 33.075 32.600 -0.004 0.000 1.468 160 M HN 0.678 nan 8.290 nan 0.000 0.474 161 D N 1.604 122.001 120.400 -0.006 0.000 2.487 161 D HA 0.075 4.715 4.640 0.000 0.000 0.243 161 D C 0.972 177.270 176.300 -0.004 0.000 1.154 161 D CA 1.216 55.213 54.000 -0.005 0.000 0.876 161 D CB 0.580 41.378 40.800 -0.004 0.000 1.161 161 D HN 0.966 nan 8.370 nan 0.000 0.478 162 G N 3.090 111.887 108.800 -0.004 0.000 2.153 162 G HA2 -0.335 3.626 3.960 0.000 0.000 0.252 162 G HA3 -0.335 3.626 3.960 0.000 0.000 0.252 162 G C 0.341 175.240 174.900 -0.002 0.000 0.994 162 G CA 0.540 45.638 45.100 -0.003 0.000 0.698 162 G HN 0.638 nan 8.290 nan 0.000 0.521 163 E N 1.085 121.284 120.200 -0.003 0.000 2.384 163 E HA 0.451 4.801 4.350 0.000 0.000 0.266 163 E C 1.188 177.789 176.600 0.002 0.000 1.012 163 E CA 0.235 56.635 56.400 -0.001 0.000 0.901 163 E CB 0.335 30.034 29.700 -0.003 0.000 0.967 163 E HN 0.592 nan 8.360 nan 0.000 0.435 164 S N 4.349 120.052 115.700 0.006 0.000 2.592 164 S HA 0.207 4.677 4.470 0.000 0.000 0.271 164 S C -1.627 172.982 174.600 0.015 0.000 1.326 164 S CA -1.105 57.101 58.200 0.010 0.000 1.024 164 S CB 1.307 64.514 63.200 0.011 0.000 0.921 164 S HN 0.488 nan 8.310 nan 0.000 0.527 165 P HA -0.116 nan 4.420 nan 0.000 0.216 165 P C 0.857 178.178 177.300 0.036 0.000 1.150 165 P CA 1.310 64.431 63.100 0.036 0.000 0.837 165 P CB -0.016 31.715 31.700 0.052 0.000 0.786 166 E N 0.170 120.388 120.200 0.029 0.000 2.085 166 E HA -0.147 4.203 4.350 0.000 0.000 0.194 166 E C 2.364 178.977 176.600 0.021 0.000 0.994 166 E CA 1.694 58.109 56.400 0.025 0.000 0.801 166 E CB -1.097 28.615 29.700 0.020 0.000 0.743 166 E HN 0.218 nan 8.360 nan 0.000 0.453 167 S N -0.279 115.431 115.700 0.016 0.000 2.387 167 S HA -0.070 4.400 4.470 0.000 0.000 0.226 167 S C 1.934 176.542 174.600 0.013 0.000 1.026 167 S CA 0.662 58.869 58.200 0.012 0.000 0.972 167 S CB -0.220 62.985 63.200 0.008 0.000 0.814 167 S HN 0.194 nan 8.310 nan 0.000 0.477 168 I N 1.273 121.852 120.570 0.015 0.000 2.179 168 I HA -0.168 4.002 4.170 0.000 0.000 0.242 168 I C 2.915 179.046 176.117 0.023 0.000 1.088 168 I CA 1.434 62.742 61.300 0.014 0.000 1.357 168 I CB -0.402 37.605 38.000 0.012 0.000 1.051 168 I HN 0.326 nan 8.210 nan 0.000 0.409 169 R N 1.053 121.574 120.500 0.035 0.000 2.091 169 R HA -0.192 4.149 4.340 0.000 0.000 0.238 169 R C 2.481 178.798 176.300 0.027 0.000 1.136 169 R CA 1.601 57.725 56.100 0.041 0.000 0.959 169 R CB -0.131 30.196 30.300 0.046 0.000 0.856 169 R HN 0.306 nan 8.270 nan 0.000 0.437 170 R N -0.181 120.331 120.500 0.020 0.000 2.073 170 R HA -0.109 4.231 4.340 0.000 0.000 0.234 170 R C 2.480 178.786 176.300 0.010 0.000 1.134 170 R CA 1.808 57.917 56.100 0.014 0.000 0.952 170 R CB -0.209 30.098 30.300 0.011 0.000 0.850 170 R HN 0.270 nan 8.270 nan 0.000 0.433 171 R N -0.051 120.454 120.500 0.008 0.000 2.092 171 R HA -0.050 4.290 4.340 0.000 0.000 0.231 171 R C 2.314 178.616 176.300 0.003 0.000 1.119 171 R CA 1.041 57.144 56.100 0.004 0.000 0.970 171 R CB -0.286 30.015 30.300 0.002 0.000 0.864 171 R HN 0.051 nan 8.270 nan 0.000 0.440 172 V N 1.260 121.178 119.914 0.007 0.000 2.307 172 V HA -0.214 3.906 4.120 0.000 0.000 0.245 172 V C 2.441 178.538 176.094 0.006 0.000 1.045 172 V CA 1.715 64.019 62.300 0.007 0.000 1.024 172 V CB -0.425 31.408 31.823 0.018 0.000 0.651 172 V HN 0.344 nan 8.190 nan 0.000 0.449 173 E N 0.094 120.300 120.200 0.011 0.000 2.110 173 E HA -0.277 4.073 4.350 0.000 0.000 0.193 173 E C 2.245 178.845 176.600 0.001 0.000 0.988 173 E CA 1.708 58.112 56.400 0.007 0.000 0.804 173 E CB 0.009 29.717 29.700 0.012 0.000 0.745 173 E HN 0.733 nan 8.360 nan 0.000 0.458 174 E N 0.669 120.870 120.200 0.002 0.000 2.031 174 E HA -0.220 4.130 4.350 0.000 0.000 0.193 174 E C 2.217 178.815 176.600 -0.004 0.000 0.994 174 E CA 1.290 57.690 56.400 -0.001 0.000 0.800 174 E CB -0.037 29.663 29.700 0.000 0.000 0.752 174 E HN 0.061 nan 8.360 nan 0.000 0.447 175 K N 0.107 120.504 120.400 -0.005 0.000 2.032 175 K HA -0.175 4.145 4.320 0.000 0.000 0.209 175 K C 2.036 178.629 176.600 -0.013 0.000 1.048 175 K CA 1.336 57.618 56.287 -0.009 0.000 0.927 175 K CB -0.220 32.274 32.500 -0.009 0.000 0.712 175 K HN 0.163 nan 8.250 nan 0.000 0.441 176 A N 1.408 124.220 122.820 -0.014 0.000 1.902 176 A HA -0.203 4.117 4.320 0.000 0.000 0.217 176 A C 2.167 179.740 177.584 -0.018 0.000 1.181 176 A CA 1.715 53.740 52.037 -0.021 0.000 0.623 176 A CB -0.602 18.384 19.000 -0.023 0.000 0.818 176 A HN 0.421 nan 8.150 nan 0.000 0.443 177 R N -0.324 120.169 120.500 -0.012 0.000 2.062 177 R HA -0.030 4.310 4.340 0.000 0.000 0.231 177 R C 1.953 178.247 176.300 -0.010 0.000 1.136 177 R CA 1.606 57.700 56.100 -0.010 0.000 0.948 177 R CB -0.381 29.915 30.300 -0.006 0.000 0.845 177 R HN 0.510 nan 8.270 nan 0.000 0.430 178 L N 0.153 121.371 121.223 -0.009 0.000 2.201 178 L HA -0.079 4.261 4.340 0.000 0.000 0.212 178 L C 1.498 178.362 176.870 -0.010 0.000 1.105 178 L CA 1.279 56.114 54.840 -0.008 0.000 0.775 178 L CB -0.202 41.853 42.059 -0.006 0.000 0.913 178 L HN 0.323 nan 8.230 nan 0.000 0.440 179 E N -0.282 119.911 120.200 -0.012 0.000 2.481 179 E HA 0.229 4.579 4.350 0.000 0.000 0.198 179 E C 0.659 177.249 176.600 -0.017 0.000 1.027 179 E CA 0.391 56.782 56.400 -0.014 0.000 0.900 179 E CB 0.536 30.227 29.700 -0.015 0.000 0.993 179 E HN 0.324 nan 8.360 nan 0.000 0.482 180 A N 2.443 125.253 122.820 -0.018 0.000 2.648 180 A HA -0.195 4.125 4.320 0.000 0.000 0.297 180 A C -0.367 177.200 177.584 -0.029 0.000 1.467 180 A CA 0.506 52.530 52.037 -0.021 0.000 0.731 180 A CB -1.294 17.696 19.000 -0.017 0.000 1.085 180 A HN 0.111 nan 8.150 nan 0.000 0.437 181 R N 0.235 120.713 120.500 -0.036 0.000 2.229 181 R HA 0.380 4.720 4.340 0.000 0.000 0.328 181 R C 0.301 176.562 176.300 -0.066 0.000 1.009 181 R CA 0.029 56.099 56.100 -0.051 0.000 0.864 181 R CB 0.955 31.224 30.300 -0.052 0.000 1.085 181 R HN 0.631 nan 8.270 nan 0.000 0.453 182 D N 1.147 121.498 120.400 -0.082 0.000 2.346 182 D HA -0.002 4.638 4.640 0.000 0.000 0.206 182 D C 0.276 176.472 176.300 -0.172 0.000 1.001 182 D CA 0.019 53.960 54.000 -0.099 0.000 0.871 182 D CB 0.254 41.007 40.800 -0.078 0.000 0.943 182 D HN 0.141 nan 8.370 nan 0.000 0.518 183 L N 1.005 122.096 121.223 -0.220 0.000 2.343 183 L HA 0.463 4.803 4.340 0.000 0.000 0.278 183 L C -1.485 175.206 176.870 -0.298 0.000 0.996 183 L CA -0.882 53.728 54.840 -0.382 0.000 0.831 183 L CB 1.433 43.183 42.059 -0.515 0.000 1.232 183 L HN -0.081 nan 8.230 nan 0.000 0.413 184 I N 6.298 126.703 120.570 -0.276 0.000 2.330 184 I HA 0.342 4.512 4.170 0.000 0.000 0.289 184 I C -0.737 175.306 176.117 -0.123 0.000 1.001 184 I CA -0.387 60.826 61.300 -0.145 0.000 1.193 184 I CB 1.182 39.147 38.000 -0.058 0.000 1.345 184 I HN 0.432 nan 8.210 nan 0.000 0.461 185 L N 7.399 128.572 121.223 -0.083 0.000 2.276 185 L HA 0.459 4.799 4.340 0.000 0.000 0.286 185 L C -0.521 176.363 176.870 0.024 0.000 1.024 185 L CA -0.805 54.032 54.840 -0.005 0.000 0.826 185 L CB 1.381 43.424 42.059 -0.027 0.000 1.211 185 L HN 0.284 nan 8.230 nan 0.000 0.422 186 V N 1.631 121.586 119.914 0.067 0.000 2.348 186 V HA 0.129 4.249 4.120 0.000 0.000 0.270 186 V C -0.075 175.965 176.094 -0.091 0.000 1.037 186 V CA -0.462 61.809 62.300 -0.048 0.000 0.872 186 V CB 1.356 33.076 31.823 -0.172 0.000 1.002 186 V HN 0.596 nan 8.190 nan 0.000 0.464 187 D N 4.571 124.926 120.400 -0.076 0.000 2.374 187 D HA 0.216 4.856 4.640 0.000 0.000 0.240 187 D C 0.732 176.969 176.300 -0.105 0.000 1.229 187 D CA -0.029 53.934 54.000 -0.062 0.000 0.895 187 D CB 0.875 41.654 40.800 -0.034 0.000 1.046 187 D HN 0.714 nan 8.370 nan 0.000 0.498 188 T N 0.597 115.074 114.554 -0.128 0.000 2.828 188 T HA 0.586 4.936 4.350 0.000 0.000 0.290 188 T C 0.628 175.301 174.700 -0.044 0.000 1.019 188 T CA -0.918 61.102 62.100 -0.134 0.000 1.031 188 T CB 1.168 69.948 68.868 -0.147 0.000 1.001 188 T HN 0.388 nan 8.240 nan 0.000 0.531 189 A N 0.539 123.342 122.820 -0.030 0.000 2.498 189 A HA 0.576 4.896 4.320 0.000 0.000 0.239 189 A C 0.741 178.349 177.584 0.040 0.000 1.068 189 A CA -0.044 51.993 52.037 0.000 0.000 0.766 189 A CB -0.627 18.371 19.000 -0.003 0.000 1.003 189 A HN 1.376 nan 8.150 nan 0.000 0.497 190 G N 1.660 110.484 108.800 0.040 0.000 2.638 190 G HA2 0.626 4.586 3.960 0.000 0.000 0.302 190 G HA3 0.626 4.586 3.960 0.000 0.000 0.302 190 G C -0.833 174.098 174.900 0.051 0.000 1.365 190 G CA -0.720 44.421 45.100 0.068 0.000 0.987 190 G HN 0.650 nan 8.290 nan 0.000 0.495 191 R N 1.608 122.145 120.500 0.063 0.000 2.837 191 R HA 0.403 4.743 4.340 0.000 0.000 0.271 191 R C 1.207 177.536 176.300 0.048 0.000 0.993 191 R CA -1.137 54.987 56.100 0.041 0.000 0.931 191 R CB 1.527 31.842 30.300 0.026 0.000 1.206 191 R HN 0.444 nan 8.270 nan 0.000 0.474 192 L N 0.606 121.849 121.223 0.033 0.000 2.349 192 L HA -0.169 4.171 4.340 0.000 0.000 0.220 192 L C 0.070 176.963 176.870 0.037 0.000 1.130 192 L CA 1.670 56.529 54.840 0.033 0.000 0.791 192 L CB -0.208 41.864 42.059 0.021 0.000 0.918 192 L HN 0.447 nan 8.230 nan 0.000 0.444 193 Q N -1.533 118.287 119.800 0.033 0.000 2.456 193 Q HA 0.458 4.799 4.340 0.000 0.000 0.284 193 Q C -0.808 175.200 176.000 0.013 0.000 1.061 193 Q CA -0.495 55.324 55.803 0.026 0.000 0.799 193 Q CB 2.667 31.411 28.738 0.010 0.000 1.445 193 Q HN -0.010 nan 8.270 nan 0.000 0.411 194 I N 3.107 123.672 120.570 -0.007 0.000 2.494 194 I HA 0.062 4.232 4.170 0.000 0.000 0.289 194 I C -0.375 175.695 176.117 -0.080 0.000 1.106 194 I CA 0.223 61.474 61.300 -0.082 0.000 1.369 194 I CB 0.068 37.987 38.000 -0.135 0.000 1.410 194 I HN 0.515 nan 8.210 nan 0.000 0.523 195 D N 6.397 126.749 120.400 -0.080 0.000 2.344 195 D HA 0.071 4.711 4.640 0.000 0.000 0.239 195 D C 0.578 176.832 176.300 -0.076 0.000 1.064 195 D CA -0.577 53.387 54.000 -0.061 0.000 0.829 195 D CB 1.800 42.578 40.800 -0.036 0.000 1.129 195 D HN 0.595 nan 8.370 nan 0.000 0.506 196 E N 2.307 122.467 120.200 -0.067 0.000 2.136 196 E HA -0.201 4.150 4.350 0.000 0.000 0.202 196 E C -0.929 175.640 176.600 -0.052 0.000 1.019 196 E CA 1.587 57.949 56.400 -0.064 0.000 0.819 196 E CB -0.588 29.084 29.700 -0.047 0.000 0.739 196 E HN 0.371 nan 8.360 nan 0.000 0.458 197 P HA -0.198 nan 4.420 nan 0.000 0.212 197 P C 1.558 178.841 177.300 -0.027 0.000 1.178 197 P CA 1.229 64.313 63.100 -0.027 0.000 0.915 197 P CB -0.173 31.515 31.700 -0.020 0.000 0.788 198 L N -2.294 118.911 121.223 -0.030 0.000 2.043 198 L HA -0.237 4.103 4.340 0.000 0.000 0.212 198 L C 2.562 179.413 176.870 -0.032 0.000 1.075 198 L CA 1.603 56.428 54.840 -0.025 0.000 0.752 198 L CB -0.682 41.364 42.059 -0.022 0.000 0.891 198 L HN 0.006 nan 8.230 nan 0.000 0.432 199 M N -0.144 119.414 119.600 -0.070 0.000 2.149 199 M HA -0.155 4.325 4.480 0.000 0.000 0.261 199 M C 1.981 178.258 176.300 -0.038 0.000 1.064 199 M CA 1.982 57.227 55.300 -0.092 0.000 1.102 199 M CB -0.730 31.775 32.600 -0.159 0.000 1.369 199 M HN 0.215 nan 8.290 nan 0.000 0.408 200 G N -0.963 107.820 108.800 -0.029 0.000 2.402 200 G HA2 -0.174 3.786 3.960 0.000 0.000 0.216 200 G HA3 -0.174 3.786 3.960 0.000 0.000 0.216 200 G C 1.355 176.261 174.900 0.010 0.000 1.162 200 G CA 0.799 45.893 45.100 -0.010 0.000 0.777 200 G HN 0.586 nan 8.290 nan 0.000 0.539 201 E N -0.105 120.100 120.200 0.009 0.000 2.152 201 E HA -0.050 4.300 4.350 0.000 0.000 0.192 201 E C 2.369 178.995 176.600 0.045 0.000 0.983 201 E CA 0.463 56.875 56.400 0.021 0.000 0.818 201 E CB -0.143 29.563 29.700 0.010 0.000 0.758 201 E HN 0.349 nan 8.360 nan 0.000 0.467 202 L N 1.483 122.735 121.223 0.048 0.000 2.046 202 L HA -0.121 4.219 4.340 0.000 0.000 0.208 202 L C 2.303 179.265 176.870 0.154 0.000 1.077 202 L CA 2.000 56.899 54.840 0.099 0.000 0.747 202 L CB -0.640 41.478 42.059 0.097 0.000 0.896 202 L HN 0.037 nan 8.230 nan 0.000 0.432 203 A N -0.549 122.328 122.820 0.096 0.000 1.972 203 A HA -0.253 4.067 4.320 0.000 0.000 0.219 203 A C 2.448 180.085 177.584 0.087 0.000 1.169 203 A CA 1.820 53.908 52.037 0.085 0.000 0.635 203 A CB -0.587 18.438 19.000 0.041 0.000 0.810 203 A HN 0.497 nan 8.150 nan 0.000 0.446 204 R N -0.820 119.727 120.500 0.078 0.000 2.073 204 R HA 0.015 4.355 4.340 0.000 0.000 0.229 204 R C 1.864 178.228 176.300 0.108 0.000 1.120 204 R CA 1.266 57.408 56.100 0.071 0.000 0.967 204 R CB -0.679 29.650 30.300 0.049 0.000 0.862 204 R HN 0.378 nan 8.270 nan 0.000 0.436 205 L N 1.181 122.494 121.223 0.150 0.000 2.042 205 L HA -0.138 4.202 4.340 0.000 0.000 0.210 205 L C 2.195 179.291 176.870 0.378 0.000 1.076 205 L CA 2.137 57.111 54.840 0.224 0.000 0.749 205 L CB -0.583 41.580 42.059 0.173 0.000 0.893 205 L HN 0.261 nan 8.230 nan 0.000 0.432 206 K N -0.628 119.998 120.400 0.378 0.000 2.026 206 K HA -0.270 4.050 4.320 0.000 0.000 0.208 206 K C 2.109 178.718 176.600 0.014 0.000 1.048 206 K CA 1.715 58.050 56.287 0.080 0.000 0.929 206 K CB -0.260 32.238 32.500 -0.003 0.000 0.713 206 K HN 0.284 nan 8.250 nan 0.000 0.439 207 E N 0.433 120.664 120.200 0.051 0.000 2.070 207 E HA -0.172 4.178 4.350 0.000 0.000 0.197 207 E C 1.785 178.407 176.600 0.036 0.000 1.004 207 E CA 1.977 58.394 56.400 0.028 0.000 0.805 207 E CB -0.261 29.459 29.700 0.033 0.000 0.744 207 E HN 0.218 nan 8.360 nan 0.000 0.451 208 V N 0.504 120.458 119.914 0.067 0.000 2.379 208 V HA -0.176 3.944 4.120 0.000 0.000 0.245 208 V C 2.329 178.467 176.094 0.074 0.000 1.044 208 V CA 1.599 63.938 62.300 0.065 0.000 1.036 208 V CB -0.418 31.449 31.823 0.072 0.000 0.664 208 V HN 0.320 nan 8.190 nan 0.000 0.453 209 L N 0.228 121.523 121.223 0.119 0.000 2.375 209 L HA 0.293 4.633 4.340 0.000 0.000 0.215 209 L C 1.628 178.519 176.870 0.035 0.000 1.108 209 L CA 0.846 55.762 54.840 0.127 0.000 0.830 209 L CB -0.936 41.306 42.059 0.304 0.000 0.959 209 L HN 0.559 nan 8.230 nan 0.000 0.457 210 G N 2.209 110.985 108.800 -0.040 0.000 2.372 210 G HA2 -0.203 3.757 3.960 0.000 0.000 0.297 210 G HA3 -0.203 3.757 3.960 0.000 0.000 0.297 210 G C -1.994 172.829 174.900 -0.129 0.000 1.005 210 G CA -0.511 44.538 45.100 -0.086 0.000 1.173 210 G HN 0.225 nan 8.290 nan 0.000 0.511 211 P HA 0.136 nan 4.420 nan 0.000 0.266 211 P C 0.472 177.706 177.300 -0.111 0.000 1.195 211 P CA -0.035 62.901 63.100 -0.274 0.000 0.768 211 P CB 0.897 32.103 31.700 -0.823 0.000 0.838 212 D N 0.839 121.272 120.400 0.056 0.000 2.194 212 D HA -0.022 4.618 4.640 0.000 0.000 0.204 212 D C 0.409 176.691 176.300 -0.031 0.000 0.964 212 D CA 1.335 55.376 54.000 0.069 0.000 0.846 212 D CB 0.609 41.535 40.800 0.209 0.000 0.962 212 D HN 0.491 nan 8.370 nan 0.000 0.490 213 E N 0.121 120.272 120.200 -0.082 0.000 2.367 213 E HA 0.444 4.794 4.350 0.000 0.000 0.273 213 E C -0.973 175.560 176.600 -0.111 0.000 0.903 213 E CA -0.763 55.480 56.400 -0.263 0.000 0.764 213 E CB 3.418 32.600 29.700 -0.863 0.000 1.252 213 E HN -0.272 nan 8.360 nan 0.000 0.446 214 V N 2.785 122.657 119.914 -0.069 0.000 2.398 214 V HA 0.286 4.406 4.120 0.000 0.000 0.282 214 V C -0.473 175.633 176.094 0.020 0.000 1.014 214 V CA -0.545 61.776 62.300 0.035 0.000 0.838 214 V CB 1.037 32.873 31.823 0.021 0.000 1.018 214 V HN 0.430 nan 8.190 nan 0.000 0.432 215 L N 5.556 126.813 121.223 0.056 0.000 2.257 215 L HA 0.499 4.839 4.340 0.000 0.000 0.290 215 L C -0.375 176.473 176.870 -0.037 0.000 1.044 215 L CA -0.644 54.209 54.840 0.022 0.000 0.810 215 L CB 1.426 43.537 42.059 0.085 0.000 1.193 215 L HN 0.437 nan 8.230 nan 0.000 0.425 216 L N 5.594 126.747 121.223 -0.116 0.000 2.260 216 L HA 0.335 4.675 4.340 0.000 0.000 0.289 216 L C -0.205 176.557 176.870 -0.179 0.000 1.057 216 L CA 0.023 54.726 54.840 -0.228 0.000 0.811 216 L CB 1.303 43.195 42.059 -0.279 0.000 1.184 216 L HN 0.249 nan 8.230 nan 0.000 0.429 217 V N 6.940 126.751 119.914 -0.171 0.000 2.432 217 V HA 0.367 4.487 4.120 0.000 0.000 0.271 217 V C 0.097 176.118 176.094 -0.121 0.000 1.046 217 V CA -0.324 61.911 62.300 -0.109 0.000 0.945 217 V CB 1.063 32.844 31.823 -0.070 0.000 0.992 217 V HN 0.589 nan 8.190 nan 0.000 0.471 218 L N 3.779 124.948 121.223 -0.090 0.000 2.354 218 L HA 0.538 4.878 4.340 0.000 0.000 0.269 218 L C -0.075 176.773 176.870 -0.037 0.000 1.005 218 L CA -0.336 54.461 54.840 -0.072 0.000 0.819 218 L CB 1.809 43.819 42.059 -0.082 0.000 1.311 218 L HN 0.492 nan 8.230 nan 0.000 0.423 219 D N 1.537 121.925 120.400 -0.021 0.000 2.468 219 D HA 0.317 4.957 4.640 0.000 0.000 0.218 219 D C 0.987 177.292 176.300 0.009 0.000 1.155 219 D CA 0.026 54.026 54.000 -0.001 0.000 0.924 219 D CB 1.531 42.333 40.800 0.004 0.000 1.029 219 D HN 0.629 nan 8.370 nan 0.000 0.515 220 A N 4.908 127.741 122.820 0.021 0.000 2.042 220 A HA -0.238 4.082 4.320 0.000 0.000 0.222 220 A C 2.154 179.768 177.584 0.051 0.000 1.167 220 A CA 1.225 53.288 52.037 0.043 0.000 0.649 220 A CB -0.430 18.627 19.000 0.095 0.000 0.809 220 A HN 0.689 nan 8.150 nan 0.000 0.457 221 M N -0.172 119.456 119.600 0.047 0.000 2.213 221 M HA -0.112 4.368 4.480 0.000 0.000 0.263 221 M C 1.944 178.260 176.300 0.027 0.000 1.062 221 M CA 1.802 57.129 55.300 0.044 0.000 1.105 221 M CB -0.999 31.624 32.600 0.038 0.000 1.385 221 M HN 0.664 nan 8.290 nan 0.000 0.417 222 T N -1.665 112.899 114.554 0.017 0.000 3.227 222 T HA 0.323 4.673 4.350 0.000 0.000 0.257 222 T C 1.160 175.861 174.700 0.002 0.000 1.162 222 T CA 0.262 62.367 62.100 0.009 0.000 1.051 222 T CB -0.917 67.955 68.868 0.007 0.000 0.953 222 T HN 0.602 nan 8.240 nan 0.000 0.535 223 G N 1.547 110.347 108.800 0.001 0.000 2.575 223 G HA2 -0.382 3.578 3.960 0.000 0.000 0.267 223 G HA3 -0.382 3.578 3.960 0.000 0.000 0.267 223 G C 0.511 175.397 174.900 -0.024 0.000 1.264 223 G CA 0.442 45.533 45.100 -0.015 0.000 0.935 223 G HN 0.395 nan 8.290 nan 0.000 0.568 224 Q N -0.739 119.042 119.800 -0.031 0.000 2.135 224 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 224 Q C 2.485 178.476 176.000 -0.015 0.000 0.981 224 Q CA 2.383 58.169 55.803 -0.029 0.000 0.856 224 Q CB -0.181 28.538 28.738 -0.031 0.000 0.902 224 Q HN 0.643 nan 8.270 nan 0.000 0.425 225 E N 0.302 120.496 120.200 -0.010 0.000 2.130 225 E HA -0.210 4.140 4.350 0.000 0.000 0.196 225 E C 1.601 178.202 176.600 0.001 0.000 0.998 225 E CA 1.496 57.895 56.400 -0.001 0.000 0.806 225 E CB -0.368 29.333 29.700 0.001 0.000 0.738 225 E HN 0.409 nan 8.360 nan 0.000 0.459 226 A N 0.683 123.500 122.820 -0.005 0.000 1.997 226 A HA -0.206 4.114 4.320 0.000 0.000 0.221 226 A C 2.238 179.816 177.584 -0.011 0.000 1.172 226 A CA 1.761 53.794 52.037 -0.008 0.000 0.645 226 A CB -0.852 18.138 19.000 -0.017 0.000 0.813 226 A HN 0.404 nan 8.150 nan 0.000 0.454 227 L N 0.554 121.769 121.223 -0.014 0.000 2.376 227 L HA -0.138 4.202 4.340 0.000 0.000 0.219 227 L C 2.848 179.722 176.870 0.008 0.000 1.133 227 L CA 0.991 55.822 54.840 -0.014 0.000 0.816 227 L CB -0.717 41.332 42.059 -0.017 0.000 0.933 227 L HN 0.618 nan 8.230 nan 0.000 0.449 228 S N 0.841 116.551 115.700 0.017 0.000 2.368 228 S HA -0.255 4.215 4.470 0.000 0.000 0.226 228 S C 2.033 176.667 174.600 0.057 0.000 1.044 228 S CA 1.683 59.901 58.200 0.030 0.000 1.062 228 S CB -1.401 61.815 63.200 0.027 0.000 0.931 228 S HN 0.381 nan 8.310 nan 0.000 0.440 229 V N 1.158 121.125 119.914 0.090 0.000 2.490 229 V HA -0.007 4.113 4.120 0.000 0.000 0.250 229 V C 2.663 178.911 176.094 0.255 0.000 1.061 229 V CA 1.494 63.908 62.300 0.190 0.000 1.064 229 V CB -1.922 30.070 31.823 0.281 0.000 0.670 229 V HN 0.618 nan 8.190 nan 0.000 0.461 230 A N 1.117 124.015 122.820 0.131 0.000 1.894 230 A HA -0.364 3.956 4.320 0.000 0.000 0.220 230 A C 2.514 180.172 177.584 0.123 0.000 1.237 230 A CA 2.989 55.081 52.037 0.093 0.000 0.660 230 A CB -0.984 18.019 19.000 0.005 0.000 0.835 230 A HN 0.625 nan 8.150 nan 0.000 0.461 231 R N -0.380 120.164 120.500 0.073 0.000 2.105 231 R HA -0.147 4.193 4.340 0.000 0.000 0.239 231 R C 2.336 178.669 176.300 0.055 0.000 1.135 231 R CA 1.655 57.782 56.100 0.046 0.000 0.967 231 R CB -0.555 29.755 30.300 0.017 0.000 0.861 231 R HN 0.504 nan 8.270 nan 0.000 0.442 232 A N 0.567 123.425 122.820 0.064 0.000 1.851 232 A HA -0.170 4.150 4.320 0.000 0.000 0.216 232 A C 2.047 179.615 177.584 -0.027 0.000 1.195 232 A CA 1.450 53.476 52.037 -0.018 0.000 0.622 232 A CB -0.910 18.038 19.000 -0.087 0.000 0.831 232 A HN 0.363 nan 8.150 nan 0.000 0.444 233 F N -0.001 119.948 119.950 -0.003 0.000 2.126 233 F HA -0.186 4.341 4.527 0.000 0.000 0.299 233 F C 2.208 178.009 175.800 0.002 0.000 1.096 233 F CA 1.926 59.929 58.000 0.006 0.000 1.255 233 F CB -0.401 38.603 39.000 0.008 0.000 0.997 233 F HN 0.314 nan 8.300 nan 0.000 0.479 234 D N -0.175 120.333 120.400 0.180 0.000 2.144 234 D HA -0.141 4.499 4.640 0.000 0.000 0.200 234 D C 1.996 178.322 176.300 0.044 0.000 0.978 234 D CA 1.187 55.238 54.000 0.084 0.000 0.833 234 D CB -0.087 40.738 40.800 0.042 0.000 0.961 234 D HN 0.290 nan 8.370 nan 0.000 0.470 235 E N -0.718 119.499 120.200 0.030 0.000 2.152 235 E HA -0.144 4.206 4.350 0.000 0.000 0.192 235 E C 1.634 178.234 176.600 -0.000 0.000 0.983 235 E CA 0.732 57.136 56.400 0.006 0.000 0.818 235 E CB 0.178 29.875 29.700 -0.005 0.000 0.758 235 E HN 0.006 nan 8.360 nan 0.000 0.467 236 K N -0.364 120.033 120.400 -0.005 0.000 2.242 236 K HA 0.012 4.332 4.320 0.000 0.000 0.200 236 K C 1.442 178.052 176.600 0.016 0.000 1.050 236 K CA 0.589 56.868 56.287 -0.014 0.000 0.981 236 K CB 0.597 33.061 32.500 -0.060 0.000 0.795 236 K HN -0.062 nan 8.250 nan 0.000 0.477 237 V N -1.471 118.474 119.914 0.052 0.000 2.854 237 V HA 0.391 4.511 4.120 0.000 0.000 0.236 237 V C 0.445 176.574 176.094 0.058 0.000 1.157 237 V CA 0.214 62.565 62.300 0.085 0.000 1.187 237 V CB 0.519 32.447 31.823 0.174 0.000 0.949 237 V HN 0.324 nan 8.190 nan 0.000 0.488 238 G N 1.147 109.986 108.800 0.065 0.000 2.768 238 G HA2 -0.033 3.927 3.960 0.000 0.000 0.666 238 G HA3 -0.033 3.927 3.960 0.000 0.000 0.666 238 G C -0.801 174.111 174.900 0.021 0.000 1.162 238 G CA -0.367 44.748 45.100 0.026 0.000 1.226 238 G HN 0.291 nan 8.290 nan 0.000 0.535 239 V N 2.074 122.000 119.914 0.020 0.000 2.607 239 V HA 0.652 4.772 4.120 0.000 0.000 0.289 239 V C 1.682 177.746 176.094 -0.050 0.000 1.053 239 V CA 0.731 63.025 62.300 -0.011 0.000 0.996 239 V CB 1.491 33.300 31.823 -0.024 0.000 0.995 239 V HN 1.192 nan 8.190 nan 0.000 0.476 240 T N 0.139 114.655 114.554 -0.064 0.000 2.990 240 T HA 0.447 4.797 4.350 0.000 0.000 0.249 240 T C 0.606 175.206 174.700 -0.167 0.000 1.039 240 T CA 0.487 62.547 62.100 -0.067 0.000 1.036 240 T CB 0.524 69.376 68.868 -0.025 0.000 0.994 240 T HN 1.049 nan 8.240 nan 0.000 0.489 241 G N 0.326 108.973 108.800 -0.256 0.000 2.559 241 G HA2 0.597 4.557 3.960 0.000 0.000 0.291 241 G HA3 0.597 4.557 3.960 0.000 0.000 0.291 241 G C -2.057 172.609 174.900 -0.390 0.000 1.424 241 G CA -1.035 43.675 45.100 -0.651 0.000 0.786 241 G HN 0.314 nan 8.290 nan 0.000 0.485 242 L N -0.578 120.382 121.223 -0.438 0.000 2.303 242 L HA 0.834 5.174 4.340 0.000 0.000 0.266 242 L C -0.629 176.151 176.870 -0.148 0.000 1.011 242 L CA -1.298 53.391 54.840 -0.252 0.000 0.818 242 L CB 2.388 44.288 42.059 -0.266 0.000 1.326 242 L HN 0.293 nan 8.230 nan 0.000 0.435 243 V N 2.900 122.759 119.914 -0.091 0.000 2.532 243 V HA 0.333 4.453 4.120 0.000 0.000 0.294 243 V C -0.380 175.684 176.094 -0.049 0.000 1.036 243 V CA -0.322 61.972 62.300 -0.011 0.000 0.876 243 V CB 2.004 33.858 31.823 0.052 0.000 1.012 243 V HN 0.470 nan 8.190 nan 0.000 0.432 244 L N 5.202 126.388 121.223 -0.061 0.000 2.264 244 L HA 0.552 4.892 4.340 0.000 0.000 0.289 244 L C 0.698 177.579 176.870 0.019 0.000 1.044 244 L CA -0.112 54.704 54.840 -0.040 0.000 0.807 244 L CB 1.854 43.873 42.059 -0.066 0.000 1.192 244 L HN 0.775 nan 8.230 nan 0.000 0.425 245 T N -0.298 114.266 114.554 0.017 0.000 2.943 245 T HA 0.367 4.717 4.350 0.000 0.000 0.284 245 T C 0.215 174.939 174.700 0.040 0.000 1.015 245 T CA -0.812 61.306 62.100 0.030 0.000 1.042 245 T CB 1.588 70.465 68.868 0.015 0.000 1.055 245 T HN 0.609 nan 8.240 nan 0.000 0.500 246 K N 0.803 121.227 120.400 0.041 0.000 3.125 246 K HA -0.135 4.185 4.320 0.000 0.000 0.268 246 K C 0.717 177.353 176.600 0.060 0.000 1.078 246 K CA 0.300 56.612 56.287 0.042 0.000 0.775 246 K CB -2.061 30.461 32.500 0.037 0.000 1.253 246 K HN 0.666 nan 8.250 nan 0.000 0.486 247 L N 0.738 122.000 121.223 0.065 0.000 2.240 247 L HA -0.137 4.203 4.340 0.000 0.000 0.211 247 L C 2.353 179.212 176.870 -0.018 0.000 1.106 247 L CA 1.719 56.603 54.840 0.074 0.000 0.793 247 L CB -0.286 41.825 42.059 0.087 0.000 0.927 247 L HN 0.412 nan 8.230 nan 0.000 0.446 248 D N -0.849 119.541 120.400 -0.017 0.000 2.312 248 D HA -0.122 4.518 4.640 0.000 0.000 0.211 248 D C 1.653 177.945 176.300 -0.013 0.000 0.964 248 D CA 1.219 55.196 54.000 -0.039 0.000 0.877 248 D CB 0.055 40.845 40.800 -0.017 0.000 0.924 248 D HN 0.301 nan 8.370 nan 0.000 0.515 249 G N 0.234 109.044 108.800 0.018 0.000 3.126 249 G HA2 -0.041 3.919 3.960 0.000 0.000 0.224 249 G HA3 -0.041 3.919 3.960 0.000 0.000 0.224 249 G C -0.010 174.927 174.900 0.060 0.000 1.142 249 G CA -0.255 44.864 45.100 0.032 0.000 0.759 249 G HN 0.102 nan 8.290 nan 0.000 0.550 250 D N 0.550 121.008 120.400 0.096 0.000 2.280 250 D HA 0.552 5.193 4.640 0.000 0.000 0.243 250 D C 1.082 177.527 176.300 0.242 0.000 1.129 250 D CA -0.177 53.934 54.000 0.184 0.000 0.848 250 D CB 1.656 42.642 40.800 0.309 0.000 1.107 250 D HN -0.024 nan 8.370 nan 0.000 0.471 251 A N 4.677 127.610 122.820 0.188 0.000 2.115 251 A HA 0.088 4.408 4.320 0.000 0.000 0.211 251 A C 1.949 179.658 177.584 0.209 0.000 1.169 251 A CA 0.373 52.519 52.037 0.181 0.000 0.787 251 A CB 0.147 19.203 19.000 0.094 0.000 0.858 251 A HN 0.553 nan 8.150 nan 0.000 0.474 252 R N -1.232 119.351 120.500 0.138 0.000 2.036 252 R HA 0.321 4.661 4.340 0.000 0.000 0.216 252 R C 1.446 177.617 176.300 -0.215 0.000 1.241 252 R CA 1.004 57.103 56.100 -0.002 0.000 0.964 252 R CB -0.254 30.022 30.300 -0.040 0.000 0.828 252 R HN 0.657 nan 8.270 nan 0.000 0.468 253 G N -1.353 107.228 108.800 -0.365 0.000 2.175 253 G HA2 -0.170 3.791 3.960 0.000 0.000 0.182 253 G HA3 -0.170 3.791 3.960 0.000 0.000 0.182 253 G C 0.833 175.415 174.900 -0.530 0.000 1.003 253 G CA 0.158 44.635 45.100 -1.038 0.000 0.666 253 G HN 0.529 nan 8.290 nan 0.000 0.506 254 G N 0.941 109.573 108.800 -0.280 0.000 2.469 254 G HA2 0.124 4.084 3.960 0.000 0.000 0.219 254 G HA3 0.124 4.084 3.960 0.000 0.000 0.219 254 G C 1.967 176.784 174.900 -0.139 0.000 1.150 254 G CA 2.747 47.736 45.100 -0.184 0.000 0.763 254 G HN 1.577 nan 8.290 nan 0.000 0.561 255 A N 1.035 123.789 122.820 -0.110 0.000 1.898 255 A HA 0.345 4.665 4.320 0.000 0.000 0.216 255 A C 2.824 180.358 177.584 -0.083 0.000 1.181 255 A CA 2.168 54.160 52.037 -0.074 0.000 0.620 255 A CB -0.777 18.197 19.000 -0.044 0.000 0.819 255 A HN 0.807 nan 8.150 nan 0.000 0.442 256 A N -0.444 122.325 122.820 -0.084 0.000 1.930 256 A HA 0.020 4.340 4.320 0.000 0.000 0.217 256 A C 2.119 179.687 177.584 -0.026 0.000 1.175 256 A CA 1.427 53.440 52.037 -0.040 0.000 0.627 256 A CB -0.504 18.580 19.000 0.140 0.000 0.815 256 A HN 0.460 nan 8.150 nan 0.000 0.443 257 L N -0.630 120.542 121.223 -0.085 0.000 2.240 257 L HA -0.047 4.293 4.340 0.000 0.000 0.211 257 L C 2.319 179.177 176.870 -0.020 0.000 1.106 257 L CA 1.175 55.989 54.840 -0.044 0.000 0.793 257 L CB -0.063 41.927 42.059 -0.115 0.000 0.927 257 L HN 0.310 nan 8.230 nan 0.000 0.446 258 S N -0.450 115.225 115.700 -0.042 0.000 2.492 258 S HA 0.132 4.602 4.470 0.000 0.000 0.218 258 S C 2.162 176.770 174.600 0.013 0.000 1.016 258 S CA 0.480 58.676 58.200 -0.006 0.000 0.916 258 S CB 0.258 63.445 63.200 -0.022 0.000 0.791 258 S HN 0.383 nan 8.310 nan 0.000 0.513 259 A N 3.048 125.848 122.820 -0.033 0.000 1.881 259 A HA -0.288 4.032 4.320 0.000 0.000 0.219 259 A C 2.062 179.619 177.584 -0.045 0.000 1.215 259 A CA 2.237 54.236 52.037 -0.063 0.000 0.648 259 A CB -0.797 18.125 19.000 -0.129 0.000 0.832 259 A HN 0.465 nan 8.150 nan 0.000 0.455 260 R N -1.498 118.986 120.500 -0.027 0.000 2.097 260 R HA -0.277 4.063 4.340 0.000 0.000 0.236 260 R C 2.270 178.577 176.300 0.012 0.000 1.135 260 R CA 2.452 58.544 56.100 -0.013 0.000 0.934 260 R CB -0.606 29.704 30.300 0.017 0.000 0.846 260 R HN 0.801 nan 8.270 nan 0.000 0.431 261 H N -0.478 118.573 119.070 -0.030 0.000 2.321 261 H HA -0.065 4.491 4.556 -0.000 0.000 0.300 261 H C 1.859 177.170 175.328 -0.028 0.000 1.087 261 H CA 2.219 58.253 56.048 -0.023 0.000 1.319 261 H CB -0.053 29.701 29.762 -0.013 0.000 1.379 261 H HN 0.088 nan 8.280 nan 0.000 0.501 262 V N -0.180 119.756 119.914 0.036 0.000 2.307 262 V HA -0.211 3.909 4.120 0.000 0.000 0.245 262 V C 2.573 178.618 176.094 -0.080 0.000 1.045 262 V CA 2.226 64.512 62.300 -0.022 0.000 1.024 262 V CB -0.742 31.103 31.823 0.037 0.000 0.651 262 V HN 0.829 nan 8.190 nan 0.000 0.449 263 T N -3.214 111.298 114.554 -0.071 0.000 3.015 263 T HA 0.283 4.633 4.350 0.000 0.000 0.250 263 T C 1.643 176.288 174.700 -0.091 0.000 1.057 263 T CA 1.055 63.109 62.100 -0.077 0.000 1.066 263 T CB 0.665 69.485 68.868 -0.079 0.000 0.959 263 T HN 0.988 nan 8.240 nan 0.000 0.488 264 G N 1.985 110.727 108.800 -0.097 0.000 2.166 264 G HA2 -0.232 3.728 3.960 0.000 0.000 0.260 264 G HA3 -0.232 3.728 3.960 0.000 0.000 0.260 264 G C -0.033 174.807 174.900 -0.100 0.000 0.986 264 G CA 0.435 45.479 45.100 -0.093 0.000 0.683 264 G HN 0.648 nan 8.290 nan 0.000 0.527 265 K N 0.767 121.092 120.400 -0.126 0.000 2.164 265 K HA 0.516 4.836 4.320 0.000 0.000 0.258 265 K C -2.365 174.096 176.600 -0.231 0.000 0.951 265 K CA -2.088 54.093 56.287 -0.177 0.000 0.844 265 K CB 2.183 34.569 32.500 -0.189 0.000 1.099 265 K HN 0.127 nan 8.250 nan 0.000 0.435 266 P HA 0.277 nan 4.420 nan 0.000 0.275 266 P C -0.236 176.759 177.300 -0.508 0.000 1.228 266 P CA -0.290 62.605 63.100 -0.343 0.000 0.786 266 P CB 0.646 32.159 31.700 -0.311 0.000 0.927 267 I N 3.726 124.060 120.570 -0.393 0.000 2.291 267 I HA 0.053 4.223 4.170 0.000 0.000 0.292 267 I C 1.133 177.095 176.117 -0.257 0.000 1.064 267 I CA -0.412 60.609 61.300 -0.466 0.000 1.269 267 I CB 0.179 37.640 38.000 -0.898 0.000 1.418 267 I HN 0.312 nan 8.210 nan 0.000 0.485 268 Y N 5.828 126.024 120.300 -0.174 0.000 2.176 268 Y HA 0.082 4.632 4.550 -0.000 0.000 0.291 268 Y C 0.688 176.284 175.900 -0.506 0.000 1.122 268 Y CA 0.750 58.684 58.100 -0.278 0.000 1.128 268 Y CB -0.221 38.155 38.460 -0.139 0.000 1.005 268 Y HN 0.294 nan 8.280 nan 0.000 0.509 269 F N -1.775 118.223 119.950 0.080 0.000 2.631 269 F HA 0.713 5.240 4.527 0.000 0.000 0.328 269 F C -0.265 175.545 175.800 0.017 0.000 1.067 269 F CA -1.563 56.442 58.000 0.009 0.000 0.969 269 F CB 1.443 40.426 39.000 -0.028 0.000 1.332 269 F HN -0.266 nan 8.300 nan 0.000 0.490 270 A N 0.164 123.137 122.820 0.254 0.000 2.422 270 A HA 0.684 5.004 4.320 0.000 0.000 0.302 270 A C -0.605 177.065 177.584 0.143 0.000 1.041 270 A CA -0.596 51.559 52.037 0.198 0.000 0.708 270 A CB 1.074 20.264 19.000 0.316 0.000 1.257 270 A HN 0.979 nan 8.150 nan 0.000 0.414 271 G N 0.830 109.690 108.800 0.101 0.000 2.391 271 G HA2 0.481 4.441 3.960 0.000 0.000 0.305 271 G HA3 0.481 4.441 3.960 0.000 0.000 0.305 271 G C 0.605 175.543 174.900 0.064 0.000 1.072 271 G CA 0.344 45.486 45.100 0.070 0.000 1.016 271 G HN 1.684 nan 8.290 nan 0.000 0.418 272 V N 0.376 120.325 119.914 0.059 0.000 3.650 272 V HA 0.488 4.608 4.120 0.000 0.000 0.271 272 V C 0.779 176.889 176.094 0.026 0.000 1.281 272 V CA 0.648 62.972 62.300 0.040 0.000 1.120 272 V CB -0.877 30.974 31.823 0.046 0.000 0.856 272 V HN 1.022 nan 8.190 nan 0.000 0.443 273 S N -1.636 114.082 115.700 0.030 0.000 2.633 273 S HA 0.331 4.801 4.470 0.000 0.000 0.271 273 S C 0.015 174.630 174.600 0.024 0.000 1.112 273 S CA -0.246 57.968 58.200 0.023 0.000 0.828 273 S CB 1.323 64.537 63.200 0.023 0.000 1.086 273 S HN 0.021 nan 8.310 nan 0.000 0.461 274 E N 1.055 121.267 120.200 0.020 0.000 2.347 274 E HA 0.105 4.455 4.350 0.000 0.000 0.196 274 E C 0.183 176.795 176.600 0.019 0.000 1.008 274 E CA 0.670 57.081 56.400 0.018 0.000 0.852 274 E CB -0.157 29.552 29.700 0.015 0.000 0.783 274 E HN 0.500 nan 8.360 nan 0.000 0.505 275 K N 1.382 121.795 120.400 0.022 0.000 2.319 275 K HA 0.012 4.332 4.320 0.000 0.000 0.265 275 K C -1.554 175.063 176.600 0.028 0.000 1.000 275 K CA -1.214 55.086 56.287 0.023 0.000 0.943 275 K CB 0.440 32.955 32.500 0.024 0.000 0.950 275 K HN -0.133 nan 8.250 nan 0.000 0.485 276 P HA -0.162 nan 4.420 nan 0.000 0.221 276 P C -0.118 177.209 177.300 0.044 0.000 1.145 276 P CA 1.462 64.580 63.100 0.030 0.000 0.795 276 P CB 0.251 31.966 31.700 0.026 0.000 0.775 277 E N -0.718 119.511 120.200 0.048 0.000 2.474 277 E HA 0.182 4.532 4.350 0.000 0.000 0.195 277 E C 1.661 178.305 176.600 0.073 0.000 1.039 277 E CA 0.113 56.555 56.400 0.070 0.000 0.881 277 E CB -0.853 28.885 29.700 0.063 0.000 0.970 277 E HN 0.156 nan 8.360 nan 0.000 0.486 278 G N 1.235 110.067 108.800 0.054 0.000 3.397 278 G HA2 0.241 4.201 3.960 0.000 0.000 0.248 278 G HA3 0.241 4.201 3.960 0.000 0.000 0.248 278 G C -0.439 174.495 174.900 0.056 0.000 1.284 278 G CA -0.043 45.088 45.100 0.052 0.000 1.570 278 G HN 0.122 nan 8.290 nan 0.000 0.587 279 L N 0.103 121.366 121.223 0.067 0.000 2.476 279 L HA 0.590 4.930 4.340 0.000 0.000 0.269 279 L C -0.755 176.159 176.870 0.072 0.000 0.965 279 L CA -0.709 54.166 54.840 0.057 0.000 0.845 279 L CB 1.776 43.834 42.059 -0.003 0.000 1.259 279 L HN 0.418 nan 8.230 nan 0.000 0.403 280 E N 4.117 124.382 120.200 0.110 0.000 2.429 280 E HA 0.657 5.007 4.350 0.000 0.000 0.276 280 E C -2.926 173.674 176.600 0.001 0.000 0.953 280 E CA -2.540 53.903 56.400 0.072 0.000 0.787 280 E CB 1.473 31.245 29.700 0.120 0.000 1.307 280 E HN 0.212 nan 8.360 nan 0.000 0.458 281 P HA -0.018 nan 4.420 nan 0.000 0.266 281 P C -1.148 175.753 177.300 -0.666 0.000 1.195 281 P CA 0.001 62.697 63.100 -0.673 0.000 0.768 281 P CB 0.158 31.409 31.700 -0.748 0.000 0.838 282 F N 4.059 123.640 119.950 -0.615 0.000 2.445 282 F HA 0.287 4.814 4.527 -0.000 0.000 0.359 282 F C -0.554 174.992 175.800 -0.423 0.000 1.101 282 F CA -0.093 57.685 58.000 -0.370 0.000 1.177 282 F CB 0.035 38.925 39.000 -0.182 0.000 1.110 282 F HN 0.236 nan 8.300 nan 0.000 0.522 283 Y N 8.148 128.151 120.300 -0.494 0.000 2.478 283 Y HA 0.325 4.875 4.550 -0.000 0.000 0.329 283 Y C -1.789 173.805 175.900 -0.510 0.000 0.967 283 Y CA -2.453 55.436 58.100 -0.351 0.000 1.255 283 Y CB 0.720 39.063 38.460 -0.194 0.000 1.103 283 Y HN 0.485 nan 8.280 nan 0.000 0.497 284 P HA -0.179 nan 4.420 nan 0.000 0.215 284 P C 1.007 178.249 177.300 -0.096 0.000 1.157 284 P CA 1.694 64.686 63.100 -0.181 0.000 0.868 284 P CB 0.515 32.217 31.700 0.003 0.000 0.788 285 E N -0.811 119.378 120.200 -0.018 0.000 2.051 285 E HA -0.215 4.135 4.350 0.000 0.000 0.192 285 E C 2.276 178.930 176.600 0.091 0.000 0.991 285 E CA 0.945 57.377 56.400 0.053 0.000 0.799 285 E CB -0.290 29.480 29.700 0.116 0.000 0.748 285 E HN 0.021 nan 8.360 nan 0.000 0.449 286 R N 0.720 121.237 120.500 0.028 0.000 2.081 286 R HA -0.156 4.184 4.340 0.000 0.000 0.235 286 R C 2.233 178.538 176.300 0.008 0.000 1.131 286 R CA 0.985 57.085 56.100 0.001 0.000 0.960 286 R CB -0.394 29.869 30.300 -0.063 0.000 0.856 286 R HN 0.142 nan 8.270 nan 0.000 0.436 287 L N 0.184 121.382 121.223 -0.042 0.000 2.093 287 L HA 0.098 4.438 4.340 0.000 0.000 0.208 287 L C 2.090 178.996 176.870 0.060 0.000 1.085 287 L CA 2.050 56.876 54.840 -0.024 0.000 0.755 287 L CB -0.861 41.128 42.059 -0.116 0.000 0.904 287 L HN 0.273 nan 8.230 nan 0.000 0.435 288 A N -0.449 122.394 122.820 0.039 0.000 1.883 288 A HA -0.094 4.226 4.320 0.000 0.000 0.217 288 A C 2.341 180.036 177.584 0.186 0.000 1.186 288 A CA 1.653 53.717 52.037 0.045 0.000 0.624 288 A CB -1.579 17.285 19.000 -0.227 0.000 0.822 288 A HN 0.510 nan 8.150 nan 0.000 0.444 289 G N -0.863 108.094 108.800 0.261 0.000 2.408 289 G HA2 -0.193 3.767 3.960 0.000 0.000 0.217 289 G HA3 -0.193 3.767 3.960 0.000 0.000 0.217 289 G C 1.761 176.737 174.900 0.126 0.000 1.150 289 G CA 0.797 46.041 45.100 0.241 0.000 0.776 289 G HN 0.555 nan 8.290 nan 0.000 0.542 290 R N -0.259 120.294 120.500 0.088 0.000 2.092 290 R HA 0.090 4.430 4.340 0.000 0.000 0.231 290 R C 2.535 178.879 176.300 0.073 0.000 1.119 290 R CA 0.854 56.986 56.100 0.053 0.000 0.970 290 R CB -0.356 29.955 30.300 0.018 0.000 0.864 290 R HN 0.372 nan 8.270 nan 0.000 0.440 291 I N 0.939 121.578 120.570 0.115 0.000 2.226 291 I HA -0.248 3.922 4.170 0.000 0.000 0.245 291 I C 1.639 177.830 176.117 0.123 0.000 1.100 291 I CA 1.217 62.604 61.300 0.146 0.000 1.374 291 I CB -0.035 38.089 38.000 0.208 0.000 1.057 291 I HN 0.124 nan 8.210 nan 0.000 0.413 292 L N 0.888 122.190 121.223 0.131 0.000 2.672 292 L HA 0.186 4.526 4.340 0.000 0.000 0.236 292 L C 1.318 178.237 176.870 0.081 0.000 1.186 292 L CA 0.129 55.040 54.840 0.118 0.000 0.977 292 L CB -0.849 41.303 42.059 0.156 0.000 1.203 292 L HN 0.472 nan 8.230 nan 0.000 0.448 293 G N 0.525 109.365 108.800 0.067 0.000 2.296 293 G HA2 -0.331 3.630 3.960 0.000 0.000 0.282 293 G HA3 -0.331 3.630 3.960 0.000 0.000 0.282 293 G C 0.378 175.295 174.900 0.029 0.000 1.014 293 G CA 0.499 45.624 45.100 0.042 0.000 0.812 293 G HN 0.366 nan 8.290 nan 0.000 0.508 294 M N 0.000 119.619 119.600 0.032 0.000 2.572 294 M HA 0.000 4.480 4.480 0.000 0.000 0.227 294 M CA 0.000 55.304 55.300 0.007 0.000 0.988 294 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 294 M HN 0.000 nan 8.290 nan 0.000 0.411