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 1tee_1_C DATA FIRST_RESID 22 DATA SEQUENCE AQLPPAPPTT VAVIEGLATG TPRRVVNQSD AADRVAELXX XXGQRERIPR DATA SEQUENCE VYQKSRITTR RMAVDPLDAK FDVFRREPAT IRDRMHLFYE HAVPLAVDVS DATA SEQUENCE KRALAGLPYR AAEIGLLVLA TSTGFIAPGV DVAIVKELGL SPSISRVVVN DATA SEQUENCE FMGCAAAMNA LGTATNYVRA HPAMKALVVC IELFSVNAVF ADDINDVVIH DATA SEQUENCE SLFGDGCAAL VIGASQVQEK LEPGKVVVRS SFSQLLDNTE DGIVLGVNHN DATA SEQUENCE GITCELSENL PGYIFSGVAP VVTEMLWDNG LQISDIDLWA IHPGGPKIIE DATA SEQUENCE QSVRSLGISA ELAAQSWDVL ARFGNMLSVS LIFVLETMVQ QAESAKAIST DATA SEQUENCE GVAFAFGPGV TVEGMLFDII RR 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.583 177.584 -0.002 0.000 1.274 22 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 22 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 23 Q N 1.327 121.127 119.800 -0.001 0.000 2.237 23 Q HA 0.312 4.550 4.340 -0.170 0.000 0.252 23 Q C 0.045 176.044 176.000 -0.001 0.000 0.877 23 Q CA -0.109 55.693 55.803 -0.001 0.000 1.011 23 Q CB 0.384 29.122 28.738 -0.001 0.000 1.118 23 Q HN 0.780 nan 8.270 nan 0.000 0.458 24 L N 1.463 122.684 121.223 -0.002 0.000 2.473 24 L HA 0.187 4.425 4.340 -0.170 0.000 0.268 24 L C -1.769 175.099 176.870 -0.003 0.000 1.215 24 L CA -1.763 53.076 54.840 -0.002 0.000 0.823 24 L CB -0.395 41.663 42.059 -0.002 0.000 1.099 24 L HN 0.006 nan 8.230 nan 0.000 0.483 25 P HA 0.115 nan 4.420 nan 0.000 0.267 25 P C -2.404 174.892 177.300 -0.007 0.000 1.200 25 P CA -0.633 62.465 63.100 -0.004 0.000 0.772 25 P CB -0.224 31.474 31.700 -0.003 0.000 0.855 26 P HA 0.187 nan 4.420 nan 0.000 0.272 26 P C -0.585 176.706 177.300 -0.014 0.000 1.223 26 P CA -0.207 62.886 63.100 -0.012 0.000 0.784 26 P CB 0.376 32.068 31.700 -0.014 0.000 0.923 27 A N 3.749 126.561 122.820 -0.015 0.000 2.531 27 A HA 0.302 4.520 4.320 -0.170 0.000 0.236 27 A C -1.862 175.709 177.584 -0.022 0.000 1.062 27 A CA -0.447 51.581 52.037 -0.016 0.000 0.760 27 A CB -1.400 17.590 19.000 -0.017 0.000 0.995 27 A HN 0.426 nan 8.150 nan 0.000 0.501 28 P HA 0.480 nan 4.420 nan 0.000 0.278 28 P C -2.399 174.881 177.300 -0.034 0.000 1.258 28 P CA -1.131 61.953 63.100 -0.027 0.000 0.811 28 P CB -0.207 31.480 31.700 -0.021 0.000 1.063 29 P HA 0.135 nan 4.420 nan 0.000 0.271 29 P C 0.343 177.620 177.300 -0.039 0.000 1.233 29 P CA 0.146 63.215 63.100 -0.052 0.000 0.789 29 P CB 0.327 31.984 31.700 -0.072 0.000 0.951 30 T N -1.611 112.920 114.554 -0.038 0.000 3.091 30 T HA 0.133 4.381 4.350 -0.170 0.000 0.277 30 T C 0.474 175.158 174.700 -0.027 0.000 0.996 30 T CA 0.045 62.127 62.100 -0.029 0.000 0.897 30 T CB -0.279 68.573 68.868 -0.025 0.000 1.109 30 T HN 0.626 nan 8.240 nan 0.000 0.534 31 T N 0.037 114.571 114.554 -0.034 0.000 2.814 31 T HA 0.702 4.949 4.350 -0.170 0.000 0.284 31 T C -0.098 174.587 174.700 -0.023 0.000 0.998 31 T CA -0.565 61.517 62.100 -0.030 0.000 0.935 31 T CB 1.233 70.076 68.868 -0.040 0.000 1.167 31 T HN -0.062 nan 8.240 nan 0.000 0.545 32 V N 0.104 120.007 119.914 -0.017 0.000 2.709 32 V HA 0.703 4.721 4.120 -0.170 0.000 0.308 32 V C 0.368 176.459 176.094 -0.006 0.000 1.062 32 V CA -1.458 60.837 62.300 -0.007 0.000 0.901 32 V CB 1.231 33.055 31.823 0.002 0.000 1.003 32 V HN 1.326 nan 8.190 nan 0.000 0.425 33 A N 3.712 126.531 122.820 -0.001 0.000 2.425 33 A HA 0.697 4.915 4.320 -0.170 0.000 0.249 33 A C -0.291 177.299 177.584 0.010 0.000 1.084 33 A CA -0.107 51.930 52.037 0.000 0.000 0.781 33 A CB 0.403 19.407 19.000 0.006 0.000 1.019 33 A HN 0.954 nan 8.150 nan 0.000 0.490 34 V N 3.084 123.004 119.914 0.009 0.000 2.789 34 V HA 0.352 4.370 4.120 -0.170 0.000 0.311 34 V C -0.210 175.893 176.094 0.015 0.000 1.073 34 V CA -0.372 61.938 62.300 0.016 0.000 0.921 34 V CB 1.938 33.775 31.823 0.024 0.000 1.009 34 V HN 0.739 nan 8.190 nan 0.000 0.426 35 I N 2.994 123.568 120.570 0.006 0.000 2.282 35 I HA 0.266 4.334 4.170 -0.170 0.000 0.290 35 I C 1.140 177.266 176.117 0.014 0.000 1.090 35 I CA 0.067 61.366 61.300 -0.002 0.000 1.231 35 I CB 0.757 38.733 38.000 -0.040 0.000 1.434 35 I HN 0.791 nan 8.210 nan 0.000 0.487 36 E N 4.221 124.449 120.200 0.047 0.000 2.371 36 E HA 0.108 4.355 4.350 -0.170 0.000 0.194 36 E C 0.956 177.586 176.600 0.050 0.000 1.012 36 E CA -0.045 56.398 56.400 0.073 0.000 0.860 36 E CB 0.414 30.213 29.700 0.165 0.000 0.811 36 E HN 0.717 nan 8.360 nan 0.000 0.502 37 G N 1.147 109.969 108.800 0.037 0.000 2.701 37 G HA2 0.578 4.436 3.960 -0.170 0.000 0.300 37 G HA3 0.578 4.436 3.960 -0.170 0.000 0.300 37 G C -1.707 173.184 174.900 -0.015 0.000 1.410 37 G CA -0.530 44.577 45.100 0.012 0.000 1.014 37 G HN 0.037 nan 8.290 nan 0.000 0.509 38 L N 1.156 122.355 121.223 -0.040 0.000 2.409 38 L HA 0.927 5.164 4.340 -0.170 0.000 0.262 38 L C -0.639 176.179 176.870 -0.087 0.000 0.992 38 L CA -0.881 53.918 54.840 -0.069 0.000 0.817 38 L CB 2.224 44.230 42.059 -0.087 0.000 1.350 38 L HN 0.991 nan 8.230 nan 0.000 0.411 39 A N 1.372 124.124 122.820 -0.112 0.000 2.594 39 A HA 0.764 4.981 4.320 -0.170 0.000 0.296 39 A C -0.981 176.486 177.584 -0.196 0.000 1.061 39 A CA -0.023 51.933 52.037 -0.135 0.000 0.689 39 A CB 1.945 20.895 19.000 -0.084 0.000 1.280 39 A HN 0.700 nan 8.150 nan 0.000 0.406 40 T N -1.153 113.232 114.554 -0.281 0.000 2.900 40 T HA 0.924 5.172 4.350 -0.170 0.000 0.303 40 T C -0.153 174.405 174.700 -0.237 0.000 1.142 40 T CA -0.174 61.674 62.100 -0.420 0.000 1.007 40 T CB 1.767 69.905 68.868 -1.217 0.000 1.156 40 T HN 2.303 nan 8.240 nan 0.000 0.490 41 G N 0.390 109.173 108.800 -0.029 0.000 2.646 41 G HA2 0.738 4.596 3.960 -0.170 0.000 0.291 41 G HA3 0.738 4.596 3.960 -0.170 0.000 0.291 41 G C -0.895 174.109 174.900 0.173 0.000 1.445 41 G CA -0.254 44.884 45.100 0.062 0.000 0.814 41 G HN 1.431 nan 8.290 nan 0.000 0.495 42 T N -1.128 113.507 114.554 0.136 0.000 2.868 42 T HA 0.811 5.059 4.350 -0.170 0.000 0.306 42 T C -3.023 171.732 174.700 0.090 0.000 1.224 42 T CA -1.396 60.774 62.100 0.117 0.000 1.012 42 T CB 2.229 71.188 68.868 0.152 0.000 1.221 42 T HN 0.531 nan 8.240 nan 0.000 0.499 43 P HA 0.249 nan 4.420 nan 0.000 0.270 43 P C 1.118 178.459 177.300 0.069 0.000 1.227 43 P CA -0.182 62.948 63.100 0.051 0.000 0.788 43 P CB 0.347 32.058 31.700 0.019 0.000 0.926 44 R N 2.043 122.576 120.500 0.056 0.000 2.075 44 R HA -0.096 4.142 4.340 -0.170 0.000 0.232 44 R C 1.686 178.020 176.300 0.056 0.000 1.126 44 R CA 1.329 57.464 56.100 0.059 0.000 0.963 44 R CB -1.206 29.121 30.300 0.046 0.000 0.858 44 R HN 0.553 nan 8.270 nan 0.000 0.435 45 R N 0.910 121.434 120.500 0.040 0.000 2.504 45 R HA 0.127 4.364 4.340 -0.170 0.000 0.291 45 R C -1.004 175.324 176.300 0.047 0.000 0.974 45 R CA 0.230 56.351 56.100 0.034 0.000 1.077 45 R CB 0.235 30.544 30.300 0.015 0.000 0.926 45 R HN 0.264 nan 8.270 nan 0.000 0.407 46 V N 5.932 125.871 119.914 0.043 0.000 2.398 46 V HA 0.257 4.274 4.120 -0.170 0.000 0.286 46 V C -0.303 175.814 176.094 0.039 0.000 1.026 46 V CA -0.625 61.702 62.300 0.044 0.000 0.868 46 V CB 1.866 33.709 31.823 0.033 0.000 0.982 46 V HN 0.496 nan 8.190 nan 0.000 0.443 47 V N 5.103 125.046 119.914 0.049 0.000 2.326 47 V HA 0.329 4.347 4.120 -0.170 0.000 0.281 47 V C 0.303 176.430 176.094 0.054 0.000 1.015 47 V CA -0.776 61.558 62.300 0.057 0.000 0.823 47 V CB 1.399 33.273 31.823 0.085 0.000 1.009 47 V HN 0.896 nan 8.190 nan 0.000 0.436 48 N N 3.764 122.488 118.700 0.041 0.000 2.431 48 N HA 0.001 4.638 4.740 -0.170 0.000 0.265 48 N C 1.111 176.659 175.510 0.063 0.000 1.184 48 N CA 0.047 53.118 53.050 0.035 0.000 0.943 48 N CB 1.559 40.057 38.487 0.020 0.000 1.080 48 N HN 0.708 nan 8.380 nan 0.000 0.477 49 Q N 3.106 122.954 119.800 0.080 0.000 2.118 49 Q HA -0.197 4.041 4.340 -0.170 0.000 0.211 49 Q C 1.381 177.468 176.000 0.145 0.000 0.998 49 Q CA 2.258 58.147 55.803 0.144 0.000 0.872 49 Q CB -0.280 28.530 28.738 0.121 0.000 0.925 49 Q HN 0.713 nan 8.270 nan 0.000 0.414 50 S N 0.365 116.111 115.700 0.077 0.000 2.356 50 S HA -0.149 4.218 4.470 -0.170 0.000 0.223 50 S C 1.435 176.035 174.600 0.000 0.000 1.032 50 S CA 1.254 59.478 58.200 0.039 0.000 1.005 50 S CB -0.424 62.788 63.200 0.020 0.000 0.867 50 S HN 0.496 nan 8.310 nan 0.000 0.449 51 D N 1.705 122.108 120.400 0.006 0.000 2.097 51 D HA -0.045 4.492 4.640 -0.170 0.000 0.195 51 D C 2.238 178.515 176.300 -0.037 0.000 0.989 51 D CA 1.247 55.237 54.000 -0.016 0.000 0.827 51 D CB -0.491 40.308 40.800 -0.001 0.000 0.966 51 D HN 0.371 nan 8.370 nan 0.000 0.456 52 A N 1.560 124.385 122.820 0.009 0.000 1.892 52 A HA -0.192 4.026 4.320 -0.170 0.000 0.218 52 A C 2.393 179.859 177.584 -0.197 0.000 1.188 52 A CA 2.839 54.886 52.037 0.017 0.000 0.631 52 A CB -0.922 18.205 19.000 0.211 0.000 0.822 52 A HN 0.263 nan 8.150 nan 0.000 0.447 53 A N -0.033 122.593 122.820 -0.323 0.000 1.873 53 A HA -0.257 3.961 4.320 -0.170 0.000 0.218 53 A C 1.825 179.168 177.584 -0.400 0.000 1.193 53 A CA 2.080 53.692 52.037 -0.708 0.000 0.629 53 A CB -0.787 17.983 19.000 -0.383 0.000 0.826 53 A HN 0.522 nan 8.150 nan 0.000 0.447 54 D N -0.618 119.653 120.400 -0.215 0.000 2.104 54 D HA -0.145 4.392 4.640 -0.170 0.000 0.194 54 D C 2.164 178.368 176.300 -0.161 0.000 0.994 54 D CA 1.503 55.411 54.000 -0.152 0.000 0.830 54 D CB -0.362 40.382 40.800 -0.093 0.000 0.959 54 D HN 0.323 nan 8.370 nan 0.000 0.452 55 R N 0.421 120.826 120.500 -0.158 0.000 2.083 55 R HA -0.094 4.144 4.340 -0.170 0.000 0.237 55 R C 2.487 178.649 176.300 -0.229 0.000 1.137 55 R CA 0.637 56.641 56.100 -0.161 0.000 0.951 55 R CB -0.839 29.380 30.300 -0.135 0.000 0.851 55 R HN 0.084 nan 8.270 nan 0.000 0.434 56 V N 0.591 120.324 119.914 -0.301 0.000 2.358 56 V HA -0.200 3.818 4.120 -0.170 0.000 0.246 56 V C 2.242 178.193 176.094 -0.238 0.000 1.047 56 V CA 1.786 63.873 62.300 -0.355 0.000 1.035 56 V CB -0.848 30.780 31.823 -0.325 0.000 0.658 56 V HN 0.455 nan 8.190 nan 0.000 0.452 57 A N -0.413 122.273 122.820 -0.225 0.000 2.084 57 A HA -0.264 3.954 4.320 -0.170 0.000 0.221 57 A C 2.025 179.543 177.584 -0.109 0.000 1.161 57 A CA 1.839 53.787 52.037 -0.148 0.000 0.653 57 A CB -0.479 18.437 19.000 -0.141 0.000 0.802 57 A HN 0.665 nan 8.150 nan 0.000 0.457 58 E N -0.687 119.440 120.200 -0.122 0.000 2.502 58 E HA 0.178 4.426 4.350 -0.170 0.000 0.194 58 E C 0.061 176.609 176.600 -0.086 0.000 1.062 58 E CA -0.361 55.984 56.400 -0.092 0.000 0.867 58 E CB -0.046 29.600 29.700 -0.089 0.000 0.888 58 E HN 0.610 nan 8.360 nan 0.000 0.510 65 Q N -0.001 119.800 119.800 0.002 0.000 2.425 65 Q HA 0.708 4.946 4.340 -0.170 0.000 0.254 65 Q C 0.346 176.348 176.000 0.003 0.000 1.032 65 Q CA 0.356 56.160 55.803 0.002 0.000 0.798 65 Q CB 0.697 29.438 28.738 0.004 0.000 1.210 65 Q HN 1.581 nan 8.270 nan 0.000 0.491 66 R N 1.062 121.560 120.500 -0.004 0.000 2.515 66 R HA 0.191 4.428 4.340 -0.170 0.000 0.294 66 R C 0.817 177.113 176.300 -0.007 0.000 1.021 66 R CA 0.397 56.492 56.100 -0.007 0.000 1.081 66 R CB -0.225 30.061 30.300 -0.023 0.000 1.263 66 R HN 0.723 nan 8.270 nan 0.000 0.557 67 E N 0.762 120.963 120.200 0.001 0.000 2.274 67 E HA -0.080 4.168 4.350 -0.170 0.000 0.194 67 E C 1.577 178.187 176.600 0.018 0.000 0.996 67 E CA 0.604 57.006 56.400 0.004 0.000 0.840 67 E CB -0.025 29.678 29.700 0.005 0.000 0.772 67 E HN 0.637 nan 8.360 nan 0.000 0.491 68 R N 0.517 121.033 120.500 0.026 0.000 2.096 68 R HA -0.137 4.101 4.340 -0.170 0.000 0.240 68 R C 2.338 178.680 176.300 0.071 0.000 1.139 68 R CA 1.270 57.397 56.100 0.045 0.000 0.952 68 R CB -0.389 29.940 30.300 0.049 0.000 0.854 68 R HN 0.136 nan 8.270 nan 0.000 0.436 69 I N 0.821 121.427 120.570 0.060 0.000 2.052 69 I HA -0.213 3.854 4.170 -0.170 0.000 0.235 69 I C -0.629 175.543 176.117 0.091 0.000 1.046 69 I CA 1.799 63.143 61.300 0.074 0.000 1.308 69 I CB -2.346 35.623 38.000 -0.051 0.000 1.031 69 I HN 0.029 nan 8.210 nan 0.000 0.395 70 P HA -0.193 nan 4.420 nan 0.000 0.216 70 P C 1.896 179.253 177.300 0.096 0.000 1.157 70 P CA 1.749 64.868 63.100 0.031 0.000 0.880 70 P CB -0.184 31.517 31.700 0.001 0.000 0.791 71 R N -0.221 120.325 120.500 0.075 0.000 2.132 71 R HA -0.186 4.052 4.340 -0.170 0.000 0.233 71 R C 2.217 178.570 176.300 0.089 0.000 1.125 71 R CA 2.402 58.542 56.100 0.066 0.000 0.914 71 R CB -1.375 28.954 30.300 0.048 0.000 0.845 71 R HN 0.079 nan 8.270 nan 0.000 0.431 72 V N -0.024 119.960 119.914 0.117 0.000 2.332 72 V HA -0.268 3.750 4.120 -0.170 0.000 0.248 72 V C 1.789 177.933 176.094 0.083 0.000 1.055 72 V CA 1.927 64.280 62.300 0.088 0.000 1.038 72 V CB -0.654 31.223 31.823 0.090 0.000 0.651 72 V HN 0.430 nan 8.190 nan 0.000 0.450 73 Y N 1.973 122.282 120.300 0.015 0.000 2.145 73 Y HA -0.225 4.225 4.550 -0.166 0.000 0.286 73 Y C 2.891 178.795 175.900 0.008 0.000 1.145 73 Y CA 2.400 60.510 58.100 0.016 0.000 1.148 73 Y CB -0.758 37.717 38.460 0.026 0.000 0.981 73 Y HN 0.523 nan 8.280 nan 0.000 0.507 74 Q N -0.261 119.633 119.800 0.155 0.000 2.364 74 Q HA -0.115 4.123 4.340 -0.170 0.000 0.209 74 Q C 1.952 177.974 176.000 0.036 0.000 0.977 74 Q CA 1.621 57.470 55.803 0.078 0.000 0.885 74 Q CB -0.578 28.192 28.738 0.054 0.000 0.941 74 Q HN 0.503 nan 8.270 nan 0.000 0.464 75 K N 1.448 121.863 120.400 0.025 0.000 2.356 75 K HA 0.070 4.288 4.320 -0.170 0.000 0.195 75 K C 1.977 178.571 176.600 -0.009 0.000 1.037 75 K CA 0.856 57.144 56.287 0.002 0.000 1.014 75 K CB -0.329 32.169 32.500 -0.002 0.000 0.815 75 K HN 0.484 nan 8.250 nan 0.000 0.507 76 S N 0.487 116.164 115.700 -0.037 0.000 2.419 76 S HA -0.204 4.164 4.470 -0.170 0.000 0.235 76 S C 1.129 175.731 174.600 0.003 0.000 1.019 76 S CA 0.958 59.119 58.200 -0.065 0.000 0.982 76 S CB -0.401 62.708 63.200 -0.152 0.000 0.789 76 S HN 0.611 nan 8.310 nan 0.000 0.490 77 R N 0.014 120.529 120.500 0.024 0.000 3.651 77 R HA -0.090 4.148 4.340 -0.170 0.000 0.292 77 R C -0.972 175.366 176.300 0.064 0.000 1.161 77 R CA 1.008 57.142 56.100 0.058 0.000 0.787 77 R CB -2.502 27.889 30.300 0.151 0.000 1.249 77 R HN 0.561 nan 8.270 nan 0.000 0.476 78 I N -0.872 119.712 120.570 0.023 0.000 2.474 78 I HA 0.186 4.254 4.170 -0.170 0.000 0.294 78 I C 1.296 177.421 176.117 0.014 0.000 1.005 78 I CA -0.516 60.792 61.300 0.013 0.000 1.113 78 I CB 2.150 40.141 38.000 -0.015 0.000 1.289 78 I HN -0.065 nan 8.210 nan 0.000 0.436 79 T N 1.911 116.464 114.554 -0.002 0.000 3.046 79 T HA 0.099 4.347 4.350 -0.170 0.000 0.242 79 T C 0.452 175.147 174.700 -0.008 0.000 1.018 79 T CA 0.596 62.693 62.100 -0.005 0.000 1.131 79 T CB 0.324 69.177 68.868 -0.025 0.000 0.904 79 T HN 0.790 nan 8.240 nan 0.000 0.459 80 T N 0.213 114.744 114.554 -0.038 0.000 2.868 80 T HA 0.773 5.021 4.350 -0.170 0.000 0.306 80 T C -1.329 173.353 174.700 -0.029 0.000 1.224 80 T CA -1.088 60.990 62.100 -0.036 0.000 1.012 80 T CB 2.776 71.596 68.868 -0.079 0.000 1.221 80 T HN 0.037 nan 8.240 nan 0.000 0.499 81 R N 0.230 120.747 120.500 0.028 0.000 2.707 81 R HA 0.626 4.864 4.340 -0.170 0.000 0.272 81 R C -0.976 175.388 176.300 0.106 0.000 1.011 81 R CA -1.152 54.997 56.100 0.083 0.000 0.893 81 R CB 1.855 32.215 30.300 0.099 0.000 1.233 81 R HN 0.430 nan 8.270 nan 0.000 0.464 82 R N 1.906 122.495 120.500 0.149 0.000 2.428 82 R HA 0.501 4.739 4.340 -0.170 0.000 0.294 82 R C -0.439 175.914 176.300 0.089 0.000 1.000 82 R CA -0.350 55.825 56.100 0.126 0.000 0.960 82 R CB 1.185 31.587 30.300 0.170 0.000 1.076 82 R HN 0.579 nan 8.270 nan 0.000 0.475 83 M N 1.333 120.964 119.600 0.052 0.000 2.213 83 M HA 0.308 4.686 4.480 -0.170 0.000 0.286 83 M C 0.772 177.036 176.300 -0.060 0.000 1.008 83 M CA -0.575 54.731 55.300 0.010 0.000 0.937 83 M CB 2.361 34.970 32.600 0.016 0.000 1.600 83 M HN 0.733 nan 8.290 nan 0.000 0.450 84 A N 3.004 125.757 122.820 -0.113 0.000 1.940 84 A HA 0.063 4.281 4.320 -0.170 0.000 0.219 84 A C 0.780 178.113 177.584 -0.418 0.000 1.176 84 A CA 1.390 53.279 52.037 -0.247 0.000 0.631 84 A CB 0.124 18.942 19.000 -0.303 0.000 0.814 84 A HN 0.553 nan 8.150 nan 0.000 0.446 85 V N 0.082 119.777 119.914 -0.365 0.000 2.864 85 V HA 0.335 4.353 4.120 -0.170 0.000 0.314 85 V C -1.219 174.700 176.094 -0.292 0.000 1.073 85 V CA -0.769 61.303 62.300 -0.379 0.000 0.956 85 V CB 1.954 33.483 31.823 -0.490 0.000 1.023 85 V HN 0.383 nan 8.190 nan 0.000 0.435 86 D N 5.605 125.857 120.400 -0.247 0.000 2.479 86 D HA 0.274 4.811 4.640 -0.170 0.000 0.218 86 D C -1.213 174.948 176.300 -0.233 0.000 1.131 86 D CA -2.017 51.893 54.000 -0.151 0.000 0.916 86 D CB 1.611 42.381 40.800 -0.050 0.000 1.022 86 D HN 0.225 nan 8.370 nan 0.000 0.515 87 P HA -0.197 nan 4.420 nan 0.000 0.215 87 P C 1.485 178.878 177.300 0.155 0.000 1.163 87 P CA 0.958 63.961 63.100 -0.162 0.000 0.894 87 P CB 0.336 32.178 31.700 0.236 0.000 0.791 88 L N -0.585 120.691 121.223 0.090 0.000 2.675 88 L HA 0.078 4.316 4.340 -0.170 0.000 0.239 88 L C 1.383 178.288 176.870 0.059 0.000 1.151 88 L CA -0.124 54.732 54.840 0.027 0.000 0.905 88 L CB -1.045 40.944 42.059 -0.117 0.000 1.057 88 L HN 0.069 nan 8.230 nan 0.000 0.435 89 D N 0.608 121.067 120.400 0.098 0.000 2.400 89 D HA -0.004 4.534 4.640 -0.170 0.000 0.238 89 D C 1.154 177.532 176.300 0.130 0.000 1.157 89 D CA 0.651 54.711 54.000 0.100 0.000 0.889 89 D CB 1.666 42.533 40.800 0.111 0.000 1.199 89 D HN 0.101 nan 8.370 nan 0.000 0.436 90 A N 4.319 127.192 122.820 0.089 0.000 1.917 90 A HA -0.272 3.946 4.320 -0.170 0.000 0.219 90 A C 2.006 179.652 177.584 0.104 0.000 1.182 90 A CA 2.552 54.636 52.037 0.079 0.000 0.633 90 A CB -0.473 18.559 19.000 0.053 0.000 0.819 90 A HN 0.796 nan 8.150 nan 0.000 0.448 91 K N -1.878 118.594 120.400 0.120 0.000 1.973 91 K HA -0.058 4.159 4.320 -0.170 0.000 0.210 91 K C 1.869 178.571 176.600 0.170 0.000 1.045 91 K CA 1.590 57.948 56.287 0.118 0.000 0.937 91 K CB -0.747 31.817 32.500 0.106 0.000 0.721 91 K HN 0.227 nan 8.250 nan 0.000 0.438 92 F N 2.910 122.917 119.950 0.094 0.000 2.192 92 F HA -0.247 4.178 4.527 -0.171 0.000 0.301 92 F C 2.169 178.094 175.800 0.210 0.000 1.079 92 F CA 1.763 59.867 58.000 0.174 0.000 1.303 92 F CB -0.187 38.903 39.000 0.149 0.000 1.024 92 F HN 0.256 nan 8.300 nan 0.000 0.494 93 D N -0.156 120.443 120.400 0.333 0.000 2.182 93 D HA -0.159 4.379 4.640 -0.170 0.000 0.201 93 D C 2.159 178.539 176.300 0.134 0.000 0.986 93 D CA 1.426 55.560 54.000 0.222 0.000 0.847 93 D CB 0.068 40.949 40.800 0.134 0.000 0.942 93 D HN 0.240 nan 8.370 nan 0.000 0.467 94 V N 0.410 120.389 119.914 0.109 0.000 2.379 94 V HA -0.144 3.874 4.120 -0.170 0.000 0.243 94 V C 2.247 178.369 176.094 0.046 0.000 1.035 94 V CA 1.134 63.475 62.300 0.068 0.000 1.035 94 V CB -0.763 31.099 31.823 0.065 0.000 0.673 94 V HN 0.137 nan 8.190 nan 0.000 0.457 95 F N 1.919 121.788 119.950 -0.136 0.000 2.126 95 F HA -0.214 4.211 4.527 -0.170 0.000 0.299 95 F C 2.609 178.267 175.800 -0.237 0.000 1.096 95 F CA 2.225 60.081 58.000 -0.240 0.000 1.255 95 F CB -0.360 38.369 39.000 -0.451 0.000 0.997 95 F HN -0.021 nan 8.300 nan 0.000 0.479 96 R N 0.613 120.979 120.500 -0.223 0.000 2.159 96 R HA -0.142 4.096 4.340 -0.170 0.000 0.237 96 R C 1.718 177.955 176.300 -0.105 0.000 1.131 96 R CA 1.594 57.630 56.100 -0.107 0.000 0.982 96 R CB -0.270 30.210 30.300 0.300 0.000 0.868 96 R HN 0.316 nan 8.270 nan 0.000 0.453 97 R N 0.118 120.571 120.500 -0.079 0.000 2.359 97 R HA 0.150 4.388 4.340 -0.170 0.000 0.231 97 R C -0.215 176.044 176.300 -0.068 0.000 0.913 97 R CA -0.018 56.057 56.100 -0.042 0.000 1.075 97 R CB 0.524 30.827 30.300 0.006 0.000 1.087 97 R HN 0.315 nan 8.270 nan 0.000 0.515 98 E N 1.438 121.546 120.200 -0.154 0.000 2.232 98 E HA 0.291 4.539 4.350 -0.170 0.000 0.265 98 E C -2.327 174.219 176.600 -0.089 0.000 1.001 98 E CA -2.079 54.254 56.400 -0.112 0.000 0.870 98 E CB 1.291 30.912 29.700 -0.131 0.000 1.175 98 E HN -0.066 nan 8.360 nan 0.000 0.407 99 P HA 0.190 nan 4.420 nan 0.000 0.283 99 P C -0.571 176.821 177.300 0.153 0.000 1.271 99 P CA -0.104 63.122 63.100 0.210 0.000 0.841 99 P CB 1.213 32.979 31.700 0.109 0.000 1.122 100 A N 0.551 123.560 122.820 0.316 0.000 2.847 100 A HA -0.176 4.041 4.320 -0.170 0.000 0.263 100 A C 1.082 178.698 177.584 0.054 0.000 1.391 100 A CA 1.682 53.805 52.037 0.144 0.000 0.866 100 A CB -3.036 16.009 19.000 0.075 0.000 1.057 100 A HN 0.727 nan 8.150 nan 0.000 0.673 101 T N -2.561 111.969 114.554 -0.040 0.000 3.169 101 T HA 0.274 4.522 4.350 -0.170 0.000 0.250 101 T C 1.557 176.281 174.700 0.040 0.000 1.111 101 T CA 0.476 62.540 62.100 -0.061 0.000 1.010 101 T CB -0.107 68.465 68.868 -0.493 0.000 0.984 101 T HN 0.594 nan 8.240 nan 0.000 0.537 102 I N 1.786 122.368 120.570 0.020 0.000 2.194 102 I HA -0.163 3.905 4.170 -0.170 0.000 0.246 102 I C 2.502 178.659 176.117 0.067 0.000 1.093 102 I CA 1.485 62.802 61.300 0.028 0.000 1.355 102 I CB -0.522 37.487 38.000 0.015 0.000 1.046 102 I HN 0.233 nan 8.210 nan 0.000 0.413 103 R N 1.360 121.914 120.500 0.090 0.000 2.096 103 R HA -0.150 4.088 4.340 -0.170 0.000 0.235 103 R C 1.793 178.210 176.300 0.195 0.000 1.127 103 R CA 1.675 57.835 56.100 0.099 0.000 0.968 103 R CB -0.487 29.884 30.300 0.119 0.000 0.861 103 R HN 0.387 nan 8.270 nan 0.000 0.440 104 D N -0.513 120.043 120.400 0.260 0.000 2.234 104 D HA -0.058 4.480 4.640 -0.170 0.000 0.205 104 D C 1.780 178.269 176.300 0.314 0.000 0.962 104 D CA 0.806 54.999 54.000 0.321 0.000 0.855 104 D CB -0.021 40.981 40.800 0.338 0.000 0.951 104 D HN 0.251 nan 8.370 nan 0.000 0.500 105 R N 0.005 120.689 120.500 0.308 0.000 2.090 105 R HA 0.044 4.281 4.340 -0.170 0.000 0.228 105 R C 2.234 178.671 176.300 0.228 0.000 1.110 105 R CA 0.715 56.989 56.100 0.290 0.000 0.973 105 R CB -0.016 30.414 30.300 0.216 0.000 0.869 105 R HN 0.125 nan 8.270 nan 0.000 0.440 106 M N -0.231 119.448 119.600 0.132 0.000 2.229 106 M HA -0.106 4.272 4.480 -0.170 0.000 0.264 106 M C 1.829 178.231 176.300 0.171 0.000 1.063 106 M CA 1.585 56.936 55.300 0.085 0.000 1.114 106 M CB -0.811 31.755 32.600 -0.056 0.000 1.387 106 M HN 0.197 nan 8.290 nan 0.000 0.420 107 H N 0.136 119.323 119.070 0.195 0.000 2.333 107 H HA 0.038 4.492 4.556 -0.170 0.000 0.302 107 H C 2.311 177.776 175.328 0.228 0.000 1.075 107 H CA 1.171 57.329 56.048 0.184 0.000 1.348 107 H CB -0.379 29.445 29.762 0.104 0.000 1.393 107 H HN 0.294 nan 8.280 nan 0.000 0.509 108 L N 0.199 121.627 121.223 0.342 0.000 2.129 108 L HA -0.233 4.004 4.340 -0.170 0.000 0.212 108 L C 2.481 179.559 176.870 0.346 0.000 1.087 108 L CA 1.058 56.083 54.840 0.309 0.000 0.757 108 L CB -0.351 41.898 42.059 0.317 0.000 0.896 108 L HN 0.128 nan 8.230 nan 0.000 0.434 109 F N -0.463 119.608 119.950 0.202 0.000 2.051 109 F HA -0.325 4.100 4.527 -0.170 0.000 0.296 109 F C 2.472 178.369 175.800 0.162 0.000 1.122 109 F CA 1.881 59.973 58.000 0.153 0.000 1.201 109 F CB -0.814 38.232 39.000 0.077 0.000 0.978 109 F HN 0.058 nan 8.300 nan 0.000 0.472 110 Y N 1.300 121.664 120.300 0.107 0.000 2.151 110 Y HA -0.302 4.146 4.550 -0.171 0.000 0.284 110 Y C 2.580 178.423 175.900 -0.096 0.000 1.166 110 Y CA 2.397 60.496 58.100 -0.002 0.000 1.163 110 Y CB -0.813 37.721 38.460 0.124 0.000 0.974 110 Y HN 0.384 nan 8.280 nan 0.000 0.511 111 E N -1.145 119.068 120.200 0.021 0.000 2.038 111 E HA -0.276 3.972 4.350 -0.170 0.000 0.195 111 E C 2.018 178.401 176.600 -0.363 0.000 1.000 111 E CA 1.691 57.991 56.400 -0.167 0.000 0.803 111 E CB -0.290 29.328 29.700 -0.136 0.000 0.750 111 E HN 0.647 nan 8.360 nan 0.000 0.448 112 H N -1.073 117.892 119.070 -0.176 0.000 2.482 112 H HA 0.086 4.540 4.556 -0.170 0.000 0.286 112 H C 1.912 177.068 175.328 -0.285 0.000 1.017 112 H CA 0.937 56.871 56.048 -0.189 0.000 1.322 112 H CB 0.153 29.836 29.762 -0.133 0.000 1.426 112 H HN 0.260 nan 8.280 nan 0.000 0.546 113 A N 0.885 123.477 122.820 -0.379 0.000 1.873 113 A HA -0.083 4.135 4.320 -0.170 0.000 0.215 113 A C 2.742 180.133 177.584 -0.323 0.000 1.186 113 A CA 1.171 52.934 52.037 -0.455 0.000 0.616 113 A CB -0.819 17.651 19.000 -0.884 0.000 0.823 113 A HN 0.152 nan 8.150 nan 0.000 0.442 114 V N 0.783 120.452 119.914 -0.408 0.000 2.231 114 V HA -0.232 3.785 4.120 -0.170 0.000 0.250 114 V C 0.053 176.026 176.094 -0.202 0.000 1.058 114 V CA 2.803 64.898 62.300 -0.340 0.000 1.022 114 V CB -1.792 29.734 31.823 -0.495 0.000 0.640 114 V HN 0.380 nan 8.190 nan 0.000 0.445 115 P HA -0.184 nan 4.420 nan 0.000 0.213 115 P C 1.920 179.173 177.300 -0.078 0.000 1.170 115 P CA 1.405 64.440 63.100 -0.109 0.000 0.902 115 P CB -0.146 31.497 31.700 -0.095 0.000 0.789 116 L N -0.352 120.825 121.223 -0.076 0.000 1.989 116 L HA -0.131 4.106 4.340 -0.170 0.000 0.211 116 L C 2.274 179.118 176.870 -0.044 0.000 1.071 116 L CA 2.272 57.085 54.840 -0.046 0.000 0.749 116 L CB -1.703 40.332 42.059 -0.039 0.000 0.890 116 L HN -0.106 nan 8.230 nan 0.000 0.431 117 A N -1.305 121.475 122.820 -0.067 0.000 1.902 117 A HA -0.154 4.064 4.320 -0.170 0.000 0.217 117 A C 2.257 179.819 177.584 -0.037 0.000 1.181 117 A CA 2.063 54.073 52.037 -0.045 0.000 0.623 117 A CB -1.082 17.884 19.000 -0.056 0.000 0.818 117 A HN 0.332 nan 8.150 nan 0.000 0.443 118 V N 0.434 120.317 119.914 -0.052 0.000 2.358 118 V HA -0.232 3.785 4.120 -0.170 0.000 0.246 118 V C 2.364 178.441 176.094 -0.029 0.000 1.047 118 V CA 2.391 64.668 62.300 -0.039 0.000 1.035 118 V CB -0.805 30.989 31.823 -0.048 0.000 0.658 118 V HN 0.708 nan 8.190 nan 0.000 0.452 119 D N 0.214 120.595 120.400 -0.031 0.000 2.117 119 D HA -0.149 4.389 4.640 -0.170 0.000 0.197 119 D C 1.981 178.268 176.300 -0.021 0.000 0.987 119 D CA 1.520 55.507 54.000 -0.023 0.000 0.829 119 D CB -0.083 40.706 40.800 -0.019 0.000 0.961 119 D HN 0.221 nan 8.370 nan 0.000 0.460 120 V N -0.011 119.891 119.914 -0.021 0.000 2.358 120 V HA -0.182 3.835 4.120 -0.170 0.000 0.246 120 V C 2.606 178.686 176.094 -0.023 0.000 1.047 120 V CA 1.712 63.997 62.300 -0.024 0.000 1.035 120 V CB -0.688 31.125 31.823 -0.018 0.000 0.658 120 V HN 0.182 nan 8.190 nan 0.000 0.452 121 S N -0.261 115.429 115.700 -0.016 0.000 2.370 121 S HA -0.259 4.109 4.470 -0.170 0.000 0.226 121 S C 1.995 176.590 174.600 -0.008 0.000 1.033 121 S CA 1.752 59.947 58.200 -0.009 0.000 1.011 121 S CB -0.296 62.901 63.200 -0.006 0.000 0.852 121 S HN 0.600 nan 8.310 nan 0.000 0.457 122 K N 0.894 121.287 120.400 -0.011 0.000 2.002 122 K HA -0.043 4.174 4.320 -0.170 0.000 0.209 122 K C 2.437 179.028 176.600 -0.015 0.000 1.048 122 K CA 1.121 57.402 56.287 -0.010 0.000 0.930 122 K CB -0.208 32.285 32.500 -0.012 0.000 0.714 122 K HN 0.239 nan 8.250 nan 0.000 0.438 123 R N 0.522 121.009 120.500 -0.022 0.000 2.103 123 R HA -0.165 4.073 4.340 -0.170 0.000 0.242 123 R C 2.422 178.704 176.300 -0.029 0.000 1.142 123 R CA 1.463 57.546 56.100 -0.029 0.000 0.960 123 R CB -0.533 29.744 30.300 -0.039 0.000 0.858 123 R HN 0.226 nan 8.270 nan 0.000 0.439 124 A N 0.992 123.797 122.820 -0.026 0.000 1.940 124 A HA -0.122 4.096 4.320 -0.170 0.000 0.219 124 A C 2.124 179.706 177.584 -0.002 0.000 1.176 124 A CA 1.242 53.268 52.037 -0.019 0.000 0.631 124 A CB -0.362 18.629 19.000 -0.014 0.000 0.814 124 A HN 0.205 nan 8.150 nan 0.000 0.446 125 L N -1.394 119.832 121.223 0.004 0.000 2.307 125 L HA 0.020 4.258 4.340 -0.170 0.000 0.211 125 L C 2.972 179.833 176.870 -0.014 0.000 1.099 125 L CA 0.525 55.374 54.840 0.015 0.000 0.816 125 L CB -0.463 41.614 42.059 0.029 0.000 0.952 125 L HN 0.411 nan 8.230 nan 0.000 0.455 126 A N 0.952 123.759 122.820 -0.021 0.000 1.896 126 A HA -0.265 3.953 4.320 -0.170 0.000 0.220 126 A C 2.365 179.919 177.584 -0.049 0.000 1.206 126 A CA 2.296 54.315 52.037 -0.031 0.000 0.647 126 A CB -1.414 17.569 19.000 -0.028 0.000 0.828 126 A HN 0.442 nan 8.150 nan 0.000 0.455 127 G N -0.584 108.184 108.800 -0.053 0.000 2.418 127 G HA2 0.095 3.953 3.960 -0.170 0.000 0.217 127 G HA3 0.095 3.953 3.960 -0.170 0.000 0.217 127 G C 0.704 175.533 174.900 -0.118 0.000 1.158 127 G CA 0.669 45.727 45.100 -0.070 0.000 0.771 127 G HN 0.341 nan 8.290 nan 0.000 0.545 128 L N 1.169 122.302 121.223 -0.151 0.000 2.452 128 L HA 0.232 4.470 4.340 -0.170 0.000 0.267 128 L C -1.110 175.548 176.870 -0.352 0.000 1.188 128 L CA -1.551 53.084 54.840 -0.343 0.000 0.821 128 L CB 0.565 42.381 42.059 -0.405 0.000 1.102 128 L HN 0.075 nan 8.230 nan 0.000 0.470 129 P HA 0.032 nan 4.420 nan 0.000 0.268 129 P C -0.382 176.804 177.300 -0.190 0.000 1.329 129 P CA -0.128 62.802 63.100 -0.283 0.000 0.899 129 P CB 0.262 31.824 31.700 -0.230 0.000 1.378 130 Y N 1.139 121.441 120.300 0.002 0.000 2.610 130 Y HA 0.209 4.657 4.550 -0.171 0.000 0.332 130 Y C 1.484 177.387 175.900 0.005 0.000 1.201 130 Y CA -0.305 57.798 58.100 0.006 0.000 1.465 130 Y CB -0.069 38.397 38.460 0.010 0.000 1.283 130 Y HN -0.149 nan 8.280 nan 0.000 0.563 131 R N 1.422 122.027 120.500 0.175 0.000 2.500 131 R HA 0.562 4.800 4.340 -0.170 0.000 0.277 131 R C 1.034 177.385 176.300 0.084 0.000 1.026 131 R CA 0.229 56.385 56.100 0.094 0.000 1.058 131 R CB 0.768 31.108 30.300 0.067 0.000 1.078 131 R HN 0.795 nan 8.270 nan 0.000 0.509 132 A N 3.074 125.927 122.820 0.055 0.000 1.997 132 A HA -0.244 3.974 4.320 -0.170 0.000 0.221 132 A C 1.876 179.479 177.584 0.032 0.000 1.172 132 A CA 2.305 54.366 52.037 0.041 0.000 0.645 132 A CB -0.981 18.035 19.000 0.026 0.000 0.813 132 A HN 0.786 nan 8.150 nan 0.000 0.454 133 A N -0.485 122.354 122.820 0.031 0.000 2.067 133 A HA -0.082 4.136 4.320 -0.170 0.000 0.219 133 A C 1.781 179.378 177.584 0.022 0.000 1.158 133 A CA 1.316 53.366 52.037 0.022 0.000 0.661 133 A CB -0.366 18.646 19.000 0.020 0.000 0.801 133 A HN 0.681 nan 8.150 nan 0.000 0.452 134 E N -0.590 119.629 120.200 0.032 0.000 2.371 134 E HA 0.075 4.323 4.350 -0.170 0.000 0.194 134 E C -0.324 176.275 176.600 -0.003 0.000 1.012 134 E CA 0.089 56.494 56.400 0.008 0.000 0.860 134 E CB 0.012 29.718 29.700 0.011 0.000 0.811 134 E HN 0.624 nan 8.360 nan 0.000 0.502 135 I N 1.355 121.936 120.570 0.019 0.000 2.281 135 I HA 0.105 4.172 4.170 -0.170 0.000 0.293 135 I C 1.190 177.318 176.117 0.019 0.000 1.085 135 I CA -0.240 61.074 61.300 0.023 0.000 1.257 135 I CB 1.298 39.313 38.000 0.025 0.000 1.430 135 I HN -0.009 nan 8.210 nan 0.000 0.489 136 G N 6.473 115.313 108.800 0.067 0.000 2.986 136 G HA2 0.226 4.084 3.960 -0.170 0.000 0.213 136 G HA3 0.226 4.084 3.960 -0.170 0.000 0.213 136 G C -0.015 174.708 174.900 -0.295 0.000 1.156 136 G CA 0.220 45.319 45.100 -0.001 0.000 0.763 136 G HN 0.394 nan 8.290 nan 0.000 0.547 137 L N 0.059 121.089 121.223 -0.322 0.000 2.445 137 L HA 0.810 5.048 4.340 -0.170 0.000 0.262 137 L C -1.990 174.770 176.870 -0.184 0.000 0.974 137 L CA -1.252 53.327 54.840 -0.435 0.000 0.822 137 L CB 2.517 44.075 42.059 -0.835 0.000 1.339 137 L HN -0.085 nan 8.230 nan 0.000 0.409 138 L N 5.371 126.508 121.223 -0.144 0.000 2.406 138 L HA 0.796 5.034 4.340 -0.170 0.000 0.272 138 L C -1.658 175.177 176.870 -0.059 0.000 0.980 138 L CA -0.451 54.347 54.840 -0.070 0.000 0.831 138 L CB 2.020 44.051 42.059 -0.046 0.000 1.253 138 L HN 0.373 nan 8.230 nan 0.000 0.406 139 V N 5.863 125.757 119.914 -0.033 0.000 2.448 139 V HA 0.561 4.579 4.120 -0.170 0.000 0.295 139 V C -0.733 175.364 176.094 0.005 0.000 1.025 139 V CA -0.642 61.647 62.300 -0.018 0.000 0.859 139 V CB 1.769 33.583 31.823 -0.015 0.000 0.988 139 V HN 0.666 nan 8.190 nan 0.000 0.431 140 L N 4.627 125.861 121.223 0.018 0.000 2.349 140 L HA 0.895 5.132 4.340 -0.170 0.000 0.278 140 L C -0.177 176.728 176.870 0.059 0.000 0.996 140 L CA -0.221 54.647 54.840 0.046 0.000 0.825 140 L CB 1.381 43.478 42.059 0.063 0.000 1.243 140 L HN 0.809 nan 8.230 nan 0.000 0.412 141 A N 3.632 126.493 122.820 0.069 0.000 2.350 141 A HA 0.941 5.159 4.320 -0.170 0.000 0.324 141 A C -0.643 177.010 177.584 0.115 0.000 1.118 141 A CA -0.289 51.794 52.037 0.077 0.000 0.783 141 A CB 1.474 20.503 19.000 0.047 0.000 1.236 141 A HN 0.752 nan 8.150 nan 0.000 0.457 142 T N 0.412 115.051 114.554 0.143 0.000 2.830 142 T HA 0.479 4.727 4.350 -0.170 0.000 0.322 142 T C 0.090 174.920 174.700 0.217 0.000 1.501 142 T CA -0.297 61.896 62.100 0.154 0.000 1.036 142 T CB 1.703 70.669 68.868 0.162 0.000 1.379 142 T HN 0.485 nan 8.240 nan 0.000 0.493 143 S N 0.160 115.939 115.700 0.132 0.000 2.893 143 S HA 0.138 4.505 4.470 -0.170 0.000 0.258 143 S C 1.286 175.866 174.600 -0.033 0.000 1.034 143 S CA 0.051 58.410 58.200 0.265 0.000 1.167 143 S CB 0.486 63.754 63.200 0.114 0.000 1.137 143 S HN 0.927 nan 8.310 nan 0.000 0.650 144 T N -1.322 113.060 114.554 -0.287 0.000 3.145 144 T HA 0.470 4.718 4.350 -0.170 0.000 0.281 144 T C 0.957 174.974 174.700 -1.138 0.000 1.003 144 T CA 0.269 62.074 62.100 -0.492 0.000 0.901 144 T CB 0.799 69.560 68.868 -0.179 0.000 1.112 144 T HN 0.230 nan 8.240 nan 0.000 0.535 145 G N 1.174 109.125 108.800 -1.415 0.000 3.345 145 G HA2 0.527 4.385 3.960 -0.170 0.000 0.202 145 G HA3 0.527 4.385 3.960 -0.170 0.000 0.202 145 G C -0.689 173.724 174.900 -0.812 0.000 1.740 145 G CA -0.765 43.325 45.100 -1.684 0.000 0.806 145 G HN 0.350 nan 8.290 nan 0.000 0.718 146 F N -0.941 118.832 119.950 -0.294 0.000 2.213 146 F HA -0.027 4.397 4.527 -0.172 0.000 0.515 146 F C -0.921 174.816 175.800 -0.106 0.000 1.275 146 F CA -1.238 56.657 58.000 -0.174 0.000 1.646 146 F CB -2.321 36.544 39.000 -0.225 0.000 2.612 146 F HN 0.349 nan 8.300 nan 0.000 0.729 147 I N -0.794 119.856 120.570 0.134 0.000 2.752 147 I HA 0.834 4.902 4.170 -0.170 0.000 0.295 147 I C 0.779 176.895 176.117 -0.002 0.000 1.219 147 I CA -0.618 60.695 61.300 0.023 0.000 1.030 147 I CB 1.038 39.044 38.000 0.011 0.000 1.259 147 I HN 0.394 nan 8.210 nan 0.000 0.423 148 A N 4.827 127.615 122.820 -0.054 0.000 3.069 148 A HA -0.025 4.192 4.320 -0.170 0.000 0.201 148 A C -1.569 175.995 177.584 -0.033 0.000 0.834 148 A CA 1.401 53.409 52.037 -0.049 0.000 1.140 148 A CB -2.275 16.688 19.000 -0.061 0.000 0.712 148 A HN 0.689 nan 8.150 nan 0.000 0.519 149 P HA 0.443 nan 4.420 nan 0.000 0.276 149 P C 0.130 177.444 177.300 0.023 0.000 1.230 149 P CA 0.692 63.787 63.100 -0.008 0.000 0.776 149 P CB 1.237 32.929 31.700 -0.014 0.000 0.888 150 G N 0.620 109.501 108.800 0.135 0.000 3.211 150 G HA2 0.254 4.112 3.960 -0.170 0.000 0.167 150 G HA3 0.254 4.112 3.960 -0.170 0.000 0.167 150 G C 0.843 175.967 174.900 0.374 0.000 1.212 150 G CA -0.531 44.754 45.100 0.309 0.000 0.928 150 G HN 0.222 nan 8.290 nan 0.000 0.607 151 V N 2.124 122.217 119.914 0.298 0.000 2.469 151 V HA -0.144 3.874 4.120 -0.170 0.000 0.251 151 V C 2.727 178.876 176.094 0.092 0.000 1.064 151 V CA 2.497 64.872 62.300 0.124 0.000 1.066 151 V CB -0.714 31.166 31.823 0.094 0.000 0.667 151 V HN 0.825 nan 8.190 nan 0.000 0.461 152 D N 0.526 120.990 120.400 0.108 0.000 2.097 152 D HA -0.154 4.383 4.640 -0.170 0.000 0.195 152 D C 2.028 178.360 176.300 0.054 0.000 0.989 152 D CA 1.599 55.638 54.000 0.064 0.000 0.827 152 D CB -0.619 40.213 40.800 0.053 0.000 0.966 152 D HN 0.361 nan 8.370 nan 0.000 0.456 153 V N 1.550 121.510 119.914 0.076 0.000 2.453 153 V HA -0.127 3.891 4.120 -0.170 0.000 0.247 153 V C 2.956 179.089 176.094 0.066 0.000 1.048 153 V CA 1.584 63.922 62.300 0.064 0.000 1.049 153 V CB -0.861 31.005 31.823 0.072 0.000 0.672 153 V HN 0.380 nan 8.190 nan 0.000 0.457 154 A N 0.056 122.931 122.820 0.092 0.000 1.908 154 A HA -0.189 4.029 4.320 -0.170 0.000 0.218 154 A C 2.192 179.784 177.584 0.015 0.000 1.181 154 A CA 1.895 53.965 52.037 0.055 0.000 0.627 154 A CB -0.532 18.475 19.000 0.012 0.000 0.818 154 A HN 0.501 nan 8.150 nan 0.000 0.445 155 I N -0.541 120.036 120.570 0.011 0.000 2.179 155 I HA -0.233 3.835 4.170 -0.170 0.000 0.242 155 I C 2.387 178.507 176.117 0.005 0.000 1.088 155 I CA 1.275 62.575 61.300 0.001 0.000 1.357 155 I CB -0.389 37.613 38.000 0.003 0.000 1.051 155 I HN 0.169 nan 8.210 nan 0.000 0.409 156 V N 1.016 120.936 119.914 0.010 0.000 2.255 156 V HA -0.317 3.701 4.120 -0.170 0.000 0.247 156 V C 2.438 178.536 176.094 0.008 0.000 1.051 156 V CA 1.954 64.258 62.300 0.006 0.000 1.018 156 V CB -0.724 31.102 31.823 0.005 0.000 0.641 156 V HN 0.393 nan 8.190 nan 0.000 0.445 157 K N -0.346 120.062 120.400 0.013 0.000 1.985 157 K HA -0.224 3.994 4.320 -0.170 0.000 0.210 157 K C 2.249 178.854 176.600 0.007 0.000 1.047 157 K CA 1.714 58.009 56.287 0.012 0.000 0.932 157 K CB -0.325 32.187 32.500 0.020 0.000 0.716 157 K HN 0.273 nan 8.250 nan 0.000 0.439 158 E N 0.862 121.065 120.200 0.004 0.000 2.086 158 E HA -0.186 4.062 4.350 -0.170 0.000 0.200 158 E C 1.480 178.078 176.600 -0.003 0.000 1.012 158 E CA 1.303 57.701 56.400 -0.004 0.000 0.812 158 E CB -0.055 29.637 29.700 -0.014 0.000 0.743 158 E HN 0.069 nan 8.360 nan 0.000 0.453 159 L N -0.935 120.287 121.223 -0.001 0.000 2.592 159 L HA 0.263 4.501 4.340 -0.170 0.000 0.227 159 L C 1.093 177.965 176.870 0.005 0.000 1.127 159 L CA 0.835 55.676 54.840 0.001 0.000 0.884 159 L CB -0.179 41.882 42.059 0.003 0.000 1.065 159 L HN 0.260 nan 8.230 nan 0.000 0.457 160 G N 0.225 109.027 108.800 0.005 0.000 2.314 160 G HA2 -0.272 3.586 3.960 -0.170 0.000 0.292 160 G HA3 -0.272 3.586 3.960 -0.170 0.000 0.292 160 G C 0.361 175.265 174.900 0.007 0.000 1.059 160 G CA 0.332 45.435 45.100 0.006 0.000 0.982 160 G HN 0.284 nan 8.290 nan 0.000 0.505 161 L N -0.463 120.763 121.223 0.006 0.000 2.543 161 L HA 0.586 4.824 4.340 -0.170 0.000 0.231 161 L C 1.479 178.350 176.870 0.002 0.000 1.194 161 L CA -0.259 54.584 54.840 0.005 0.000 0.823 161 L CB 0.570 42.630 42.059 0.002 0.000 1.374 161 L HN 0.306 nan 8.230 nan 0.000 0.507 162 S N -0.540 115.158 115.700 -0.002 0.000 2.545 162 S HA 0.217 4.585 4.470 -0.170 0.000 0.275 162 S C -1.756 172.838 174.600 -0.010 0.000 1.299 162 S CA -1.275 56.922 58.200 -0.005 0.000 1.048 162 S CB 1.076 64.272 63.200 -0.007 0.000 0.938 162 S HN 0.277 nan 8.310 nan 0.000 0.496 163 P HA -0.037 nan 4.420 nan 0.000 0.225 163 P C 0.885 178.176 177.300 -0.014 0.000 1.148 163 P CA 0.765 63.860 63.100 -0.008 0.000 0.779 163 P CB 0.066 31.763 31.700 -0.005 0.000 0.780 164 S N -2.191 113.498 115.700 -0.018 0.000 2.540 164 S HA 0.120 4.487 4.470 -0.170 0.000 0.218 164 S C 0.721 175.298 174.600 -0.039 0.000 0.977 164 S CA -0.538 57.648 58.200 -0.025 0.000 0.918 164 S CB -0.848 62.340 63.200 -0.021 0.000 0.806 164 S HN 0.060 nan 8.310 nan 0.000 0.496 165 I N 2.678 123.223 120.570 -0.041 0.000 2.948 165 I HA 0.034 4.102 4.170 -0.170 0.000 0.290 165 I C -0.185 175.881 176.117 -0.085 0.000 1.226 165 I CA 0.213 61.475 61.300 -0.063 0.000 1.413 165 I CB 0.827 38.795 38.000 -0.053 0.000 1.352 165 I HN 0.179 nan 8.210 nan 0.000 0.597 166 S N 6.624 122.240 115.700 -0.141 0.000 2.562 166 S HA 0.537 4.905 4.470 -0.170 0.000 0.275 166 S C -0.558 173.956 174.600 -0.143 0.000 1.281 166 S CA -0.605 57.502 58.200 -0.155 0.000 1.045 166 S CB 1.036 64.091 63.200 -0.242 0.000 0.962 166 S HN 0.511 nan 8.310 nan 0.000 0.503 167 R N 1.180 121.620 120.500 -0.100 0.000 2.621 167 R HA 0.682 4.920 4.340 -0.170 0.000 0.284 167 R C -1.709 174.555 176.300 -0.061 0.000 0.998 167 R CA -0.715 55.340 56.100 -0.074 0.000 0.895 167 R CB 1.904 32.178 30.300 -0.043 0.000 1.195 167 R HN 0.375 nan 8.270 nan 0.000 0.450 168 V N 2.698 122.581 119.914 -0.052 0.000 2.577 168 V HA 0.397 4.415 4.120 -0.170 0.000 0.303 168 V C -0.573 175.509 176.094 -0.021 0.000 1.042 168 V CA -0.890 61.388 62.300 -0.038 0.000 0.872 168 V CB 2.196 33.996 31.823 -0.040 0.000 0.998 168 V HN 0.451 nan 8.190 nan 0.000 0.423 169 V N 5.225 125.128 119.914 -0.019 0.000 2.384 169 V HA 0.470 4.488 4.120 -0.170 0.000 0.287 169 V C -0.269 175.816 176.094 -0.015 0.000 1.020 169 V CA -0.515 61.782 62.300 -0.005 0.000 0.850 169 V CB 2.026 33.846 31.823 -0.005 0.000 0.987 169 V HN 0.648 nan 8.190 nan 0.000 0.436 170 V N 5.867 125.785 119.914 0.007 0.000 2.347 170 V HA 0.511 4.528 4.120 -0.170 0.000 0.280 170 V C -0.033 176.083 176.094 0.036 0.000 1.021 170 V CA -0.673 61.632 62.300 0.009 0.000 0.847 170 V CB 1.257 33.089 31.823 0.016 0.000 0.990 170 V HN 0.828 nan 8.190 nan 0.000 0.444 171 N N 2.761 121.465 118.700 0.007 0.000 2.362 171 N HA 0.531 5.169 4.740 -0.170 0.000 0.299 171 N C 0.059 175.689 175.510 0.200 0.000 1.170 171 N CA -0.735 52.353 53.050 0.063 0.000 0.825 171 N CB 1.376 39.709 38.487 -0.257 0.000 1.299 171 N HN 0.490 nan 8.380 nan 0.000 0.502 172 F N 0.028 120.042 119.950 0.107 0.000 3.097 172 F HA -0.214 4.215 4.527 -0.164 0.000 0.278 172 F C 1.238 177.058 175.800 0.033 0.000 0.917 172 F CA 0.385 58.443 58.000 0.095 0.000 0.962 172 F CB -1.262 37.788 39.000 0.085 0.000 0.964 172 F HN 0.530 nan 8.300 nan 0.000 0.668 173 M N -0.643 119.040 119.600 0.139 0.000 2.431 173 M HA 0.285 4.663 4.480 -0.170 0.000 0.237 173 M C 1.523 177.821 176.300 -0.004 0.000 1.130 173 M CA 0.781 56.110 55.300 0.049 0.000 1.002 173 M CB -0.351 32.269 32.600 0.033 0.000 1.524 173 M HN 0.396 nan 8.290 nan 0.000 0.482 174 G N 0.451 109.235 108.800 -0.026 0.000 2.692 174 G HA2 -0.285 3.572 3.960 -0.170 0.000 0.248 174 G HA3 -0.285 3.572 3.960 -0.170 0.000 0.248 174 G C 0.443 175.296 174.900 -0.077 0.000 1.340 174 G CA -0.318 44.742 45.100 -0.066 0.000 0.896 174 G HN 0.425 nan 8.290 nan 0.000 0.570 175 C N 0.178 119.420 119.300 -0.096 0.000 2.397 175 C HA 0.088 4.446 4.460 -0.170 0.000 0.286 175 C C 3.113 177.901 174.990 -0.338 0.000 1.308 175 C CA 2.078 60.954 59.018 -0.237 0.000 1.805 175 C CB -1.735 25.835 27.740 -0.282 0.000 1.952 175 C HN 1.468 nan 8.230 nan 0.000 0.518 176 A N -0.406 122.293 122.820 -0.201 0.000 2.308 176 A HA 0.552 4.770 4.320 -0.170 0.000 0.217 176 A C 2.101 179.616 177.584 -0.116 0.000 1.216 176 A CA 0.894 52.821 52.037 -0.183 0.000 0.864 176 A CB -0.360 18.549 19.000 -0.152 0.000 0.902 176 A HN 0.467 nan 8.150 nan 0.000 0.499 177 A N 0.537 123.309 122.820 -0.080 0.000 1.958 177 A HA -0.019 4.199 4.320 -0.170 0.000 0.221 177 A C 2.445 180.004 177.584 -0.041 0.000 1.178 177 A CA 2.187 54.201 52.037 -0.040 0.000 0.642 177 A CB -0.951 18.045 19.000 -0.006 0.000 0.816 177 A HN 1.179 nan 8.150 nan 0.000 0.453 178 A N -0.933 121.856 122.820 -0.052 0.000 1.927 178 A HA -0.230 3.987 4.320 -0.170 0.000 0.220 178 A C 2.202 179.752 177.584 -0.056 0.000 1.185 178 A CA 2.280 54.291 52.037 -0.044 0.000 0.639 178 A CB -0.502 18.470 19.000 -0.046 0.000 0.820 178 A HN 0.476 nan 8.150 nan 0.000 0.451 179 M N 0.172 119.722 119.600 -0.082 0.000 2.077 179 M HA -0.115 4.263 4.480 -0.170 0.000 0.261 179 M C 1.825 178.082 176.300 -0.071 0.000 1.070 179 M CA 1.348 56.591 55.300 -0.095 0.000 1.125 179 M CB -1.822 30.691 32.600 -0.146 0.000 1.339 179 M HN 0.491 nan 8.290 nan 0.000 0.409 180 N N 0.622 119.284 118.700 -0.063 0.000 2.149 180 N HA -0.125 4.513 4.740 -0.170 0.000 0.188 180 N C 1.701 177.197 175.510 -0.024 0.000 1.019 180 N CA 1.690 54.716 53.050 -0.040 0.000 0.857 180 N CB -0.174 38.296 38.487 -0.029 0.000 0.997 180 N HN 0.359 nan 8.380 nan 0.000 0.426 181 A N 1.505 124.312 122.820 -0.022 0.000 1.872 181 A HA -0.061 4.157 4.320 -0.170 0.000 0.214 181 A C 2.201 179.780 177.584 -0.008 0.000 1.187 181 A CA 0.744 52.775 52.037 -0.010 0.000 0.614 181 A CB -0.665 18.331 19.000 -0.006 0.000 0.826 181 A HN 0.196 nan 8.150 nan 0.000 0.442 182 L N 0.404 121.616 121.223 -0.018 0.000 2.191 182 L HA -0.015 4.222 4.340 -0.170 0.000 0.212 182 L C 2.194 179.063 176.870 -0.002 0.000 1.103 182 L CA 2.086 56.918 54.840 -0.013 0.000 0.769 182 L CB -1.079 40.960 42.059 -0.032 0.000 0.908 182 L HN 0.292 nan 8.230 nan 0.000 0.438 183 G N -2.035 106.760 108.800 -0.008 0.000 2.394 183 G HA2 -0.193 3.665 3.960 -0.170 0.000 0.215 183 G HA3 -0.193 3.665 3.960 -0.170 0.000 0.215 183 G C 1.426 176.339 174.900 0.022 0.000 1.165 183 G CA 0.917 46.018 45.100 0.002 0.000 0.784 183 G HN 0.400 nan 8.290 nan 0.000 0.535 184 T N 1.700 116.267 114.554 0.021 0.000 2.720 184 T HA -0.042 4.205 4.350 -0.170 0.000 0.268 184 T C 2.796 177.542 174.700 0.077 0.000 1.037 184 T CA 1.579 63.702 62.100 0.037 0.000 1.144 184 T CB -0.324 68.554 68.868 0.017 0.000 0.864 184 T HN 0.364 nan 8.240 nan 0.000 0.444 185 A N 1.233 124.094 122.820 0.068 0.000 1.858 185 A HA -0.119 4.098 4.320 -0.170 0.000 0.216 185 A C 2.562 180.225 177.584 0.132 0.000 1.190 185 A CA 2.142 54.248 52.037 0.114 0.000 0.617 185 A CB -1.380 17.662 19.000 0.069 0.000 0.827 185 A HN 0.454 nan 8.150 nan 0.000 0.443 186 T N 1.142 115.737 114.554 0.068 0.000 2.597 186 T HA -0.223 4.025 4.350 -0.170 0.000 0.267 186 T C 1.869 176.589 174.700 0.033 0.000 1.053 186 T CA 1.773 63.897 62.100 0.039 0.000 1.165 186 T CB -0.584 68.298 68.868 0.023 0.000 0.863 186 T HN 0.542 nan 8.240 nan 0.000 0.427 187 N N 0.296 119.024 118.700 0.046 0.000 2.061 187 N HA -0.130 4.508 4.740 -0.170 0.000 0.193 187 N C 1.625 177.154 175.510 0.032 0.000 1.030 187 N CA 1.397 54.465 53.050 0.030 0.000 0.856 187 N CB -0.728 37.786 38.487 0.046 0.000 1.023 187 N HN 0.486 nan 8.380 nan 0.000 0.424 188 Y N 2.098 122.406 120.300 0.013 0.000 2.053 188 Y HA -0.190 4.258 4.550 -0.171 0.000 0.277 188 Y C 2.450 178.387 175.900 0.063 0.000 1.159 188 Y CA 1.258 59.400 58.100 0.070 0.000 1.125 188 Y CB -0.770 37.736 38.460 0.078 0.000 0.969 188 Y HN -0.183 nan 8.280 nan 0.000 0.492 189 V N 1.005 120.810 119.914 -0.182 0.000 2.332 189 V HA -0.329 3.689 4.120 -0.170 0.000 0.248 189 V C 2.465 178.422 176.094 -0.229 0.000 1.055 189 V CA 2.476 64.625 62.300 -0.252 0.000 1.038 189 V CB -0.498 31.285 31.823 -0.066 0.000 0.651 189 V HN 0.409 nan 8.190 nan 0.000 0.450 190 R N -0.540 119.863 120.500 -0.161 0.000 2.189 190 R HA 0.014 4.252 4.340 -0.170 0.000 0.218 190 R C 2.191 178.363 176.300 -0.213 0.000 1.074 190 R CA 1.119 57.132 56.100 -0.144 0.000 0.991 190 R CB -0.323 29.924 30.300 -0.087 0.000 0.883 190 R HN 0.541 nan 8.270 nan 0.000 0.457 191 A N 0.072 122.697 122.820 -0.325 0.000 2.021 191 A HA -0.037 4.181 4.320 -0.170 0.000 0.216 191 A C 0.242 177.354 177.584 -0.787 0.000 1.163 191 A CA 0.816 52.542 52.037 -0.518 0.000 0.676 191 A CB 0.003 18.658 19.000 -0.575 0.000 0.818 191 A HN 0.335 nan 8.150 nan 0.000 0.453 192 H N -1.677 117.196 119.070 -0.328 0.000 2.379 192 H HA 0.271 4.724 4.556 -0.171 0.000 0.229 192 H C -2.194 172.962 175.328 -0.286 0.000 1.423 192 H CA -1.631 54.227 56.048 -0.317 0.000 1.375 192 H CB 0.558 30.045 29.762 -0.458 0.000 1.592 192 H HN 0.172 nan 8.280 nan 0.000 0.507 193 P HA -0.345 nan 4.420 nan 0.000 0.222 193 P C 1.445 178.689 177.300 -0.093 0.000 1.154 193 P CA 2.201 65.236 63.100 -0.109 0.000 0.874 193 P CB 0.350 32.002 31.700 -0.080 0.000 0.787 194 A N -2.918 119.860 122.820 -0.070 0.000 2.119 194 A HA 0.021 4.239 4.320 -0.170 0.000 0.216 194 A C 1.177 178.710 177.584 -0.085 0.000 1.152 194 A CA 0.881 52.881 52.037 -0.062 0.000 0.708 194 A CB -0.600 18.381 19.000 -0.031 0.000 0.805 194 A HN 0.050 nan 8.150 nan 0.000 0.460 195 M N 0.122 119.667 119.600 -0.092 0.000 2.368 195 M HA 0.435 4.812 4.480 -0.170 0.000 0.311 195 M C -0.175 176.074 176.300 -0.085 0.000 1.168 195 M CA -0.115 55.149 55.300 -0.060 0.000 1.044 195 M CB 0.699 33.317 32.600 0.030 0.000 1.506 195 M HN -0.026 nan 8.290 nan 0.000 0.475 196 K N 0.451 120.831 120.400 -0.033 0.000 2.340 196 K HA 0.878 5.096 4.320 -0.170 0.000 0.244 196 K C -1.174 175.491 176.600 0.109 0.000 0.973 196 K CA -0.720 55.529 56.287 -0.063 0.000 0.828 196 K CB 2.248 34.590 32.500 -0.264 0.000 1.226 196 K HN 0.760 nan 8.250 nan 0.000 0.437 197 A N 1.190 124.068 122.820 0.098 0.000 2.401 197 A HA 0.688 4.906 4.320 -0.170 0.000 0.310 197 A C -1.565 176.043 177.584 0.040 0.000 1.075 197 A CA -0.687 51.408 52.037 0.096 0.000 0.746 197 A CB 1.210 20.312 19.000 0.171 0.000 1.277 197 A HN 0.498 nan 8.150 nan 0.000 0.425 198 L N 2.508 123.739 121.223 0.013 0.000 2.298 198 L HA 0.675 4.913 4.340 -0.170 0.000 0.284 198 L C -1.119 175.752 176.870 0.002 0.000 1.013 198 L CA -0.282 54.565 54.840 0.011 0.000 0.824 198 L CB 1.500 43.564 42.059 0.008 0.000 1.221 198 L HN 0.404 nan 8.230 nan 0.000 0.418 199 V N 5.916 125.834 119.914 0.006 0.000 2.398 199 V HA 0.650 4.668 4.120 -0.170 0.000 0.286 199 V C -0.415 175.683 176.094 0.007 0.000 1.026 199 V CA -0.566 61.736 62.300 0.004 0.000 0.868 199 V CB 1.718 33.541 31.823 0.001 0.000 0.982 199 V HN 0.544 nan 8.190 nan 0.000 0.443 200 V N 3.733 123.656 119.914 0.014 0.000 2.686 200 V HA 0.472 4.490 4.120 -0.170 0.000 0.306 200 V C -0.541 175.577 176.094 0.040 0.000 1.065 200 V CA -0.461 61.853 62.300 0.024 0.000 0.894 200 V CB 2.017 33.855 31.823 0.024 0.000 1.004 200 V HN 0.979 nan 8.190 nan 0.000 0.424 201 C N 5.675 125.004 119.300 0.048 0.000 2.408 201 C HA 0.831 5.189 4.460 -0.170 0.000 0.321 201 C C -0.328 174.712 174.990 0.083 0.000 1.245 201 C CA -0.648 58.409 59.018 0.065 0.000 1.523 201 C CB 0.851 28.622 27.740 0.052 0.000 2.178 201 C HN 0.785 nan 8.230 nan 0.000 0.488 202 I N 2.628 123.268 120.570 0.117 0.000 2.534 202 I HA 0.621 4.689 4.170 -0.170 0.000 0.288 202 I C -1.006 175.232 176.117 0.201 0.000 1.077 202 I CA -0.092 61.288 61.300 0.134 0.000 1.051 202 I CB 1.543 39.614 38.000 0.118 0.000 1.234 202 I HN 0.696 nan 8.210 nan 0.000 0.425 203 E N 6.082 126.377 120.200 0.158 0.000 2.283 203 E HA 0.582 4.830 4.350 -0.170 0.000 0.258 203 E C -1.840 174.867 176.600 0.178 0.000 0.893 203 E CA -0.281 56.218 56.400 0.165 0.000 0.798 203 E CB 1.268 31.003 29.700 0.058 0.000 1.242 203 E HN 0.474 nan 8.360 nan 0.000 0.414 204 L N 5.225 126.634 121.223 0.309 0.000 2.408 204 L HA 0.344 4.581 4.340 -0.170 0.000 0.257 204 L C 0.063 177.045 176.870 0.185 0.000 1.053 204 L CA -0.181 54.801 54.840 0.235 0.000 0.922 204 L CB 0.341 42.555 42.059 0.259 0.000 1.261 204 L HN 0.635 nan 8.230 nan 0.000 0.458 205 F N 1.195 121.132 119.950 -0.021 0.000 2.416 205 F HA -0.099 4.330 4.527 -0.164 0.000 0.296 205 F C 2.346 178.124 175.800 -0.036 0.000 1.099 205 F CA 1.308 59.252 58.000 -0.094 0.000 1.427 205 F CB 0.349 39.237 39.000 -0.186 0.000 1.079 205 F HN 0.540 nan 8.300 nan 0.000 0.536 206 S N -0.461 115.202 115.700 -0.063 0.000 2.387 206 S HA -0.235 4.132 4.470 -0.170 0.000 0.230 206 S C 2.083 176.536 174.600 -0.246 0.000 1.035 206 S CA 1.413 59.516 58.200 -0.160 0.000 1.014 206 S CB -1.500 61.639 63.200 -0.101 0.000 0.836 206 S HN 0.260 nan 8.310 nan 0.000 0.466 207 V N 2.304 122.141 119.914 -0.128 0.000 3.078 207 V HA -0.017 4.001 4.120 -0.170 0.000 0.265 207 V C 1.001 177.113 176.094 0.030 0.000 1.122 207 V CA 1.777 64.100 62.300 0.037 0.000 1.141 207 V CB -1.018 30.907 31.823 0.170 0.000 0.735 207 V HN 0.582 nan 8.190 nan 0.000 0.498 208 N N 0.152 118.679 118.700 -0.289 0.000 2.205 208 N HA 0.361 4.999 4.740 -0.170 0.000 0.201 208 N C 0.411 175.637 175.510 -0.472 0.000 1.128 208 N CA 0.521 53.337 53.050 -0.390 0.000 0.867 208 N CB 0.357 38.513 38.487 -0.552 0.000 0.996 208 N HN 0.420 nan 8.380 nan 0.000 0.503 209 A N 0.199 122.763 122.820 -0.426 0.000 2.565 209 A HA 0.181 4.399 4.320 -0.170 0.000 0.237 209 A C 0.938 178.560 177.584 0.064 0.000 1.053 209 A CA 0.343 52.291 52.037 -0.150 0.000 0.755 209 A CB 0.287 19.236 19.000 -0.085 0.000 0.980 209 A HN 0.096 nan 8.150 nan 0.000 0.506 210 V N 1.291 121.217 119.914 0.020 0.000 3.245 210 V HA 0.150 4.168 4.120 -0.170 0.000 0.246 210 V C -0.149 175.904 176.094 -0.070 0.000 1.487 210 V CA 0.286 62.581 62.300 -0.008 0.000 1.154 210 V CB -0.826 31.014 31.823 0.027 0.000 0.971 210 V HN 1.000 nan 8.190 nan 0.000 0.443 211 F N 0.941 120.578 119.950 -0.521 0.000 2.695 211 F HA -0.109 4.316 4.527 -0.171 0.000 0.305 211 F C 0.783 176.497 175.800 -0.143 0.000 1.044 211 F CA 0.244 57.980 58.000 -0.440 0.000 1.049 211 F CB -1.513 37.348 39.000 -0.233 0.000 1.267 211 F HN 0.277 nan 8.300 nan 0.000 0.828 212 A N 0.269 123.106 122.820 0.029 0.000 2.257 212 A HA 0.558 4.775 4.320 -0.170 0.000 0.290 212 A C 1.234 178.875 177.584 0.096 0.000 1.201 212 A CA 0.094 52.180 52.037 0.082 0.000 0.863 212 A CB 0.385 19.440 19.000 0.093 0.000 1.256 212 A HN 0.319 nan 8.150 nan 0.000 0.506 213 D N -0.001 120.449 120.400 0.083 0.000 2.213 213 D HA -0.008 4.529 4.640 -0.170 0.000 0.205 213 D C 0.196 176.543 176.300 0.077 0.000 0.961 213 D CA 1.025 55.070 54.000 0.076 0.000 0.853 213 D CB -0.242 40.594 40.800 0.059 0.000 0.967 213 D HN 0.710 nan 8.370 nan 0.000 0.496 214 D N 1.215 121.661 120.400 0.077 0.000 2.423 214 D HA -0.063 4.474 4.640 -0.170 0.000 0.238 214 D C 1.474 177.821 176.300 0.077 0.000 1.142 214 D CA -0.315 53.727 54.000 0.070 0.000 0.884 214 D CB 1.280 42.119 40.800 0.066 0.000 1.199 214 D HN -0.028 nan 8.370 nan 0.000 0.438 215 I N 0.740 121.345 120.570 0.059 0.000 2.248 215 I HA -0.310 3.758 4.170 -0.170 0.000 0.248 215 I C 2.123 178.269 176.117 0.048 0.000 1.107 215 I CA 1.073 62.404 61.300 0.053 0.000 1.373 215 I CB -1.386 36.632 38.000 0.030 0.000 1.055 215 I HN 0.512 nan 8.210 nan 0.000 0.418 216 N N 0.933 119.659 118.700 0.044 0.000 2.120 216 N HA -0.271 4.366 4.740 -0.170 0.000 0.188 216 N C 1.688 177.236 175.510 0.063 0.000 1.024 216 N CA 2.097 55.166 53.050 0.032 0.000 0.852 216 N CB -0.151 38.357 38.487 0.036 0.000 1.003 216 N HN 0.510 nan 8.380 nan 0.000 0.424 217 D N -0.251 120.222 120.400 0.121 0.000 2.097 217 D HA -0.066 4.472 4.640 -0.170 0.000 0.197 217 D C 2.110 178.588 176.300 0.296 0.000 0.984 217 D CA 0.862 55.004 54.000 0.235 0.000 0.826 217 D CB 0.138 41.073 40.800 0.225 0.000 0.973 217 D HN 0.013 nan 8.370 nan 0.000 0.460 218 V N -0.139 119.897 119.914 0.203 0.000 2.392 218 V HA -0.227 3.791 4.120 -0.170 0.000 0.249 218 V C 2.407 178.591 176.094 0.149 0.000 1.059 218 V CA 1.178 63.614 62.300 0.226 0.000 1.051 218 V CB -0.350 31.584 31.823 0.184 0.000 0.658 218 V HN 0.164 nan 8.190 nan 0.000 0.455 219 V N -0.750 119.186 119.914 0.036 0.000 2.323 219 V HA -0.191 3.827 4.120 -0.170 0.000 0.244 219 V C 2.244 178.198 176.094 -0.233 0.000 1.041 219 V CA 1.764 64.002 62.300 -0.103 0.000 1.025 219 V CB -0.446 31.312 31.823 -0.108 0.000 0.656 219 V HN 0.380 nan 8.190 nan 0.000 0.451 220 I N -0.149 120.291 120.570 -0.218 0.000 2.118 220 I HA -0.268 3.799 4.170 -0.170 0.000 0.241 220 I C 2.438 178.280 176.117 -0.458 0.000 1.070 220 I CA 1.785 62.807 61.300 -0.464 0.000 1.327 220 I CB -0.777 37.106 38.000 -0.195 0.000 1.034 220 I HN 0.376 nan 8.210 nan 0.000 0.405 221 H N -0.618 118.402 119.070 -0.085 0.000 2.543 221 H HA -0.033 4.420 4.556 -0.172 0.000 0.286 221 H C 2.243 177.593 175.328 0.036 0.000 1.037 221 H CA 1.389 57.476 56.048 0.065 0.000 1.250 221 H CB -0.044 29.712 29.762 -0.010 0.000 1.373 221 H HN 0.441 nan 8.280 nan 0.000 0.580 222 S N -0.567 115.060 115.700 -0.121 0.000 2.502 222 S HA 0.099 4.467 4.470 -0.170 0.000 0.215 222 S C 1.912 176.283 174.600 -0.382 0.000 1.009 222 S CA -0.250 57.679 58.200 -0.451 0.000 0.908 222 S CB 0.013 62.571 63.200 -1.069 0.000 0.801 222 S HN 0.209 nan 8.310 nan 0.000 0.505 223 L N -0.513 120.449 121.223 -0.435 0.000 2.316 223 L HA 0.433 4.671 4.340 -0.170 0.000 0.207 223 L C -0.078 176.566 176.870 -0.377 0.000 1.070 223 L CA 0.056 54.610 54.840 -0.477 0.000 0.820 223 L CB -0.143 41.492 42.059 -0.706 0.000 0.992 223 L HN 0.209 nan 8.230 nan 0.000 0.466 224 F N 0.756 120.552 119.950 -0.258 0.000 2.443 224 F HA 0.471 4.899 4.527 -0.166 0.000 0.353 224 F C 0.966 176.744 175.800 -0.036 0.000 1.101 224 F CA -0.693 57.164 58.000 -0.238 0.000 1.226 224 F CB 0.442 39.064 39.000 -0.629 0.000 1.140 224 F HN -0.192 nan 8.300 nan 0.000 0.557 225 G N 1.321 110.254 108.800 0.222 0.000 2.658 225 G HA2 0.533 4.391 3.960 -0.170 0.000 0.292 225 G HA3 0.533 4.391 3.960 -0.170 0.000 0.292 225 G C -1.734 173.242 174.900 0.127 0.000 1.320 225 G CA -0.861 44.336 45.100 0.162 0.000 0.933 225 G HN 0.391 nan 8.290 nan 0.000 0.476 226 D N -0.658 119.799 120.400 0.096 0.000 2.181 226 D HA 0.693 5.231 4.640 -0.170 0.000 0.248 226 D C 0.417 176.721 176.300 0.008 0.000 1.020 226 D CA 0.189 54.227 54.000 0.062 0.000 0.891 226 D CB 1.886 42.719 40.800 0.054 0.000 1.187 226 D HN 0.774 nan 8.370 nan 0.000 0.443 227 G N -1.090 107.705 108.800 -0.010 0.000 2.495 227 G HA2 0.503 4.360 3.960 -0.170 0.000 0.294 227 G HA3 0.503 4.360 3.960 -0.170 0.000 0.294 227 G C -1.732 173.191 174.900 0.039 0.000 1.397 227 G CA -0.518 44.558 45.100 -0.040 0.000 0.790 227 G HN 0.665 nan 8.290 nan 0.000 0.486 228 C N -0.487 118.891 119.300 0.130 0.000 3.170 228 C HA 1.013 5.371 4.460 -0.170 0.000 0.319 228 C C -0.469 174.629 174.990 0.179 0.000 1.260 228 C CA 0.659 59.752 59.018 0.124 0.000 1.374 228 C CB 0.699 28.476 27.740 0.062 0.000 1.739 228 C HN 2.230 nan 8.230 nan 0.000 0.479 229 A N 2.462 125.348 122.820 0.109 0.000 2.594 229 A HA 0.996 5.214 4.320 -0.170 0.000 0.295 229 A C -0.984 176.609 177.584 0.016 0.000 1.071 229 A CA 0.193 52.262 52.037 0.053 0.000 0.685 229 A CB 1.370 20.424 19.000 0.090 0.000 1.285 229 A HN 2.432 nan 8.150 nan 0.000 0.405 230 A N 0.923 123.732 122.820 -0.018 0.000 2.475 230 A HA 0.838 5.055 4.320 -0.170 0.000 0.301 230 A C -1.330 176.239 177.584 -0.025 0.000 1.059 230 A CA -0.413 51.615 52.037 -0.014 0.000 0.710 230 A CB 1.046 20.040 19.000 -0.011 0.000 1.288 230 A HN 1.043 nan 8.150 nan 0.000 0.408 231 L N 1.223 122.438 121.223 -0.014 0.000 2.388 231 L HA 0.706 4.943 4.340 -0.170 0.000 0.264 231 L C -0.970 175.904 176.870 0.008 0.000 0.998 231 L CA -1.116 53.716 54.840 -0.014 0.000 0.817 231 L CB 2.276 44.322 42.059 -0.023 0.000 1.338 231 L HN 0.411 nan 8.230 nan 0.000 0.414 232 V N 3.736 123.663 119.914 0.023 0.000 2.409 232 V HA 0.478 4.496 4.120 -0.170 0.000 0.291 232 V C -0.143 175.978 176.094 0.045 0.000 1.020 232 V CA -0.480 61.851 62.300 0.050 0.000 0.848 232 V CB 1.756 33.639 31.823 0.099 0.000 0.990 232 V HN 0.390 nan 8.190 nan 0.000 0.430 233 I N 3.595 124.184 120.570 0.032 0.000 2.525 233 I HA 0.875 4.942 4.170 -0.170 0.000 0.301 233 I C 0.618 176.728 176.117 -0.012 0.000 0.992 233 I CA -0.307 61.005 61.300 0.021 0.000 1.162 233 I CB 1.558 39.576 38.000 0.030 0.000 1.332 233 I HN 0.711 nan 8.210 nan 0.000 0.458 234 G N 2.359 111.146 108.800 -0.022 0.000 2.690 234 G HA2 0.734 4.592 3.960 -0.170 0.000 0.291 234 G HA3 0.734 4.592 3.960 -0.170 0.000 0.291 234 G C -1.649 173.224 174.900 -0.046 0.000 1.403 234 G CA -0.627 44.431 45.100 -0.070 0.000 0.864 234 G HN 0.784 nan 8.290 nan 0.000 0.480 235 A N -0.107 122.673 122.820 -0.066 0.000 2.306 235 A HA 0.868 5.086 4.320 -0.170 0.000 0.314 235 A C 0.170 177.733 177.584 -0.035 0.000 1.164 235 A CA -0.171 51.834 52.037 -0.054 0.000 0.822 235 A CB 1.475 20.428 19.000 -0.079 0.000 1.130 235 A HN 1.704 nan 8.150 nan 0.000 0.496 236 S N 1.072 116.759 115.700 -0.022 0.000 2.546 236 S HA 0.480 4.847 4.470 -0.170 0.000 0.274 236 S C -1.176 173.417 174.600 -0.012 0.000 1.121 236 S CA -0.686 57.508 58.200 -0.010 0.000 0.887 236 S CB 1.331 64.533 63.200 0.004 0.000 1.094 236 S HN 0.694 nan 8.310 nan 0.000 0.474 237 Q N 1.961 121.755 119.800 -0.010 0.000 2.299 237 Q HA 0.206 4.443 4.340 -0.170 0.000 0.246 237 Q C 1.644 177.640 176.000 -0.007 0.000 0.935 237 Q CA -0.045 55.751 55.803 -0.011 0.000 0.887 237 Q CB 1.459 30.190 28.738 -0.011 0.000 1.223 237 Q HN 0.826 nan 8.270 nan 0.000 0.439 238 V N -0.028 119.880 119.914 -0.009 0.000 2.913 238 V HA -0.211 3.807 4.120 -0.170 0.000 0.260 238 V C 1.490 177.581 176.094 -0.006 0.000 1.098 238 V CA 1.387 63.682 62.300 -0.007 0.000 1.121 238 V CB -0.411 31.406 31.823 -0.010 0.000 0.714 238 V HN 0.644 nan 8.190 nan 0.000 0.487 239 Q N 0.022 119.819 119.800 -0.006 0.000 2.311 239 Q HA 0.008 4.246 4.340 -0.170 0.000 0.203 239 Q C 0.327 176.326 176.000 -0.002 0.000 0.954 239 Q CA 0.379 56.179 55.803 -0.005 0.000 0.885 239 Q CB 0.103 28.838 28.738 -0.006 0.000 0.963 239 Q HN 0.652 nan 8.270 nan 0.000 0.471 240 E N 1.527 121.726 120.200 -0.000 0.000 2.392 240 E HA 0.049 4.296 4.350 -0.170 0.000 0.264 240 E C -0.521 176.081 176.600 0.004 0.000 1.024 240 E CA 0.336 56.738 56.400 0.003 0.000 0.903 240 E CB 0.414 30.118 29.700 0.006 0.000 0.963 240 E HN 0.014 nan 8.360 nan 0.000 0.432 241 K N 3.228 123.631 120.400 0.005 0.000 2.206 241 K HA 0.260 4.478 4.320 -0.170 0.000 0.268 241 K C 0.064 176.669 176.600 0.009 0.000 1.111 241 K CA -0.247 56.043 56.287 0.005 0.000 0.955 241 K CB 0.235 32.737 32.500 0.004 0.000 1.406 241 K HN 0.270 nan 8.250 nan 0.000 0.427 242 L N 2.817 124.047 121.223 0.011 0.000 2.483 242 L HA 0.005 4.243 4.340 -0.170 0.000 0.275 242 L C 0.996 177.873 176.870 0.012 0.000 1.220 242 L CA 0.039 54.887 54.840 0.015 0.000 0.833 242 L CB 0.015 42.085 42.059 0.018 0.000 1.102 242 L HN 0.583 nan 8.230 nan 0.000 0.490 243 E N 1.775 121.982 120.200 0.012 0.000 2.313 243 E HA 0.383 4.631 4.350 -0.170 0.000 0.272 243 E C -2.528 174.076 176.600 0.008 0.000 1.038 243 E CA -2.345 54.059 56.400 0.007 0.000 0.863 243 E CB 0.162 29.864 29.700 0.003 0.000 1.060 243 E HN 0.289 nan 8.360 nan 0.000 0.402 244 P HA -0.093 nan 4.420 nan 0.000 0.266 244 P C 0.757 178.060 177.300 0.006 0.000 1.180 244 P CA 1.784 64.889 63.100 0.007 0.000 0.765 244 P CB 0.372 32.075 31.700 0.005 0.000 0.806 245 G N 0.755 109.560 108.800 0.009 0.000 2.268 245 G HA2 -0.251 3.607 3.960 -0.170 0.000 0.240 245 G HA3 -0.251 3.607 3.960 -0.170 0.000 0.240 245 G C 0.258 175.160 174.900 0.004 0.000 1.010 245 G CA 0.096 45.198 45.100 0.003 0.000 0.618 245 G HN 0.555 nan 8.290 nan 0.000 0.516 246 K N 0.403 120.809 120.400 0.010 0.000 2.295 246 K HA 0.601 4.818 4.320 -0.170 0.000 0.270 246 K C 0.141 176.754 176.600 0.022 0.000 1.011 246 K CA 0.004 56.299 56.287 0.014 0.000 0.953 246 K CB 1.461 33.974 32.500 0.020 0.000 0.956 246 K HN 0.251 nan 8.250 nan 0.000 0.477 247 V N 3.505 123.429 119.914 0.016 0.000 2.444 247 V HA 0.298 4.316 4.120 -0.170 0.000 0.294 247 V C -0.641 175.478 176.094 0.042 0.000 1.022 247 V CA -1.069 61.249 62.300 0.030 0.000 0.850 247 V CB 1.740 33.543 31.823 -0.034 0.000 0.992 247 V HN 0.417 nan 8.190 nan 0.000 0.426 248 V N 5.488 125.448 119.914 0.077 0.000 2.509 248 V HA 0.305 4.323 4.120 -0.170 0.000 0.284 248 V C 0.162 176.319 176.094 0.104 0.000 1.047 248 V CA -0.475 61.867 62.300 0.069 0.000 0.952 248 V CB 1.872 33.727 31.823 0.054 0.000 0.988 248 V HN 0.619 nan 8.190 nan 0.000 0.469 249 V N 7.153 127.111 119.914 0.074 0.000 2.320 249 V HA 0.272 4.290 4.120 -0.170 0.000 0.265 249 V C 1.209 177.349 176.094 0.076 0.000 1.048 249 V CA -0.174 62.179 62.300 0.090 0.000 0.865 249 V CB 0.323 32.176 31.823 0.051 0.000 1.043 249 V HN 0.825 nan 8.190 nan 0.000 0.474 250 R N 2.054 122.609 120.500 0.091 0.000 2.075 250 R HA 0.150 4.388 4.340 -0.170 0.000 0.226 250 R C 0.807 177.144 176.300 0.061 0.000 1.114 250 R CA 0.667 56.800 56.100 0.056 0.000 0.972 250 R CB 0.187 30.506 30.300 0.032 0.000 0.869 250 R HN 0.571 nan 8.270 nan 0.000 0.437 251 S N -0.778 114.981 115.700 0.099 0.000 2.570 251 S HA 0.459 4.827 4.470 -0.170 0.000 0.270 251 S C -1.483 173.226 174.600 0.180 0.000 1.149 251 S CA -0.718 57.554 58.200 0.121 0.000 0.837 251 S CB 2.047 65.316 63.200 0.115 0.000 1.124 251 S HN 0.113 nan 8.310 nan 0.000 0.465 252 S N 1.803 117.609 115.700 0.176 0.000 2.599 252 S HA 0.961 5.328 4.470 -0.170 0.000 0.294 252 S C -1.383 173.365 174.600 0.246 0.000 1.094 252 S CA -0.706 57.573 58.200 0.132 0.000 0.931 252 S CB 1.292 64.513 63.200 0.034 0.000 1.093 252 S HN 0.777 nan 8.310 nan 0.000 0.488 253 F N -1.639 118.334 119.950 0.040 0.000 2.693 253 F HA 0.864 5.287 4.527 -0.174 0.000 0.309 253 F C -0.884 174.928 175.800 0.020 0.000 1.129 253 F CA -0.764 57.254 58.000 0.030 0.000 0.948 253 F CB 0.896 39.916 39.000 0.034 0.000 1.315 253 F HN 0.451 nan 8.300 nan 0.000 0.447 254 S N 1.029 116.836 115.700 0.178 0.000 2.595 254 S HA 0.782 5.150 4.470 -0.170 0.000 0.281 254 S C -1.756 172.927 174.600 0.137 0.000 1.117 254 S CA -0.772 57.477 58.200 0.082 0.000 0.873 254 S CB 2.174 65.391 63.200 0.028 0.000 1.108 254 S HN 0.640 nan 8.310 nan 0.000 0.477 255 Q N 1.679 121.536 119.800 0.094 0.000 2.418 255 Q HA 0.276 4.514 4.340 -0.170 0.000 0.240 255 Q C -1.747 174.284 176.000 0.053 0.000 0.859 255 Q CA -0.081 55.769 55.803 0.079 0.000 0.916 255 Q CB 1.717 30.513 28.738 0.097 0.000 1.448 255 Q HN 0.731 nan 8.270 nan 0.000 0.439 256 L N 4.435 125.676 121.223 0.029 0.000 2.385 256 L HA 0.316 4.554 4.340 -0.170 0.000 0.281 256 L C -0.135 176.734 176.870 -0.003 0.000 1.106 256 L CA -0.312 54.535 54.840 0.011 0.000 0.856 256 L CB 0.387 42.447 42.059 0.001 0.000 1.186 256 L HN 0.539 nan 8.230 nan 0.000 0.453 257 L N 4.813 126.030 121.223 -0.011 0.000 2.485 257 L HA 0.034 4.272 4.340 -0.170 0.000 0.279 257 L C 0.407 177.223 176.870 -0.089 0.000 1.124 257 L CA -0.326 54.489 54.840 -0.041 0.000 0.888 257 L CB 0.165 42.195 42.059 -0.048 0.000 1.217 257 L HN 0.571 nan 8.230 nan 0.000 0.464 258 D N 4.159 124.521 120.400 -0.064 0.000 2.586 258 D HA -0.160 4.378 4.640 -0.170 0.000 0.234 258 D C 0.820 177.058 176.300 -0.103 0.000 1.132 258 D CA 0.721 54.682 54.000 -0.066 0.000 0.860 258 D CB 0.210 40.986 40.800 -0.040 0.000 1.159 258 D HN 0.585 nan 8.370 nan 0.000 0.490 259 N N 1.986 120.623 118.700 -0.105 0.000 2.756 259 N HA -0.218 4.420 4.740 -0.170 0.000 0.248 259 N C -0.334 175.018 175.510 -0.263 0.000 1.062 259 N CA 1.433 54.411 53.050 -0.120 0.000 0.696 259 N CB -1.092 37.358 38.487 -0.062 0.000 0.946 259 N HN 0.460 nan 8.380 nan 0.000 0.548 260 T N -4.485 109.852 114.554 -0.362 0.000 3.332 260 T HA 0.243 4.490 4.350 -0.170 0.000 0.304 260 T C 1.031 175.504 174.700 -0.378 0.000 0.971 260 T CA -0.064 61.592 62.100 -0.741 0.000 0.954 260 T CB 0.160 68.449 68.868 -0.965 0.000 1.175 260 T HN 0.251 nan 8.240 nan 0.000 0.519 261 E N 2.338 122.431 120.200 -0.179 0.000 2.147 261 E HA -0.231 4.017 4.350 -0.170 0.000 0.199 261 E C 1.690 178.274 176.600 -0.027 0.000 1.005 261 E CA 1.765 58.118 56.400 -0.077 0.000 0.810 261 E CB -0.059 29.616 29.700 -0.041 0.000 0.736 261 E HN 0.756 nan 8.360 nan 0.000 0.460 262 D N -0.441 119.963 120.400 0.007 0.000 2.363 262 D HA -0.061 4.476 4.640 -0.170 0.000 0.226 262 D C 1.698 178.074 176.300 0.126 0.000 1.020 262 D CA 0.860 54.901 54.000 0.069 0.000 0.892 262 D CB -0.368 40.488 40.800 0.093 0.000 0.900 262 D HN 0.148 nan 8.370 nan 0.000 0.531 263 G N 0.854 109.749 108.800 0.158 0.000 2.480 263 G HA2 -0.090 3.768 3.960 -0.170 0.000 0.216 263 G HA3 -0.090 3.768 3.960 -0.170 0.000 0.216 263 G C 0.934 175.907 174.900 0.122 0.000 1.200 263 G CA 0.532 45.782 45.100 0.251 0.000 0.782 263 G HN 0.396 nan 8.290 nan 0.000 0.554 264 I N 0.271 120.884 120.570 0.070 0.000 2.468 264 I HA 0.406 4.474 4.170 -0.170 0.000 0.285 264 I C -1.205 174.912 176.117 0.000 0.000 1.039 264 I CA -0.624 60.699 61.300 0.038 0.000 1.074 264 I CB 2.708 40.736 38.000 0.046 0.000 1.228 264 I HN -0.199 nan 8.210 nan 0.000 0.436 265 V N 7.173 127.077 119.914 -0.016 0.000 2.540 265 V HA 0.518 4.536 4.120 -0.170 0.000 0.302 265 V C -0.208 175.821 176.094 -0.110 0.000 1.035 265 V CA -0.507 61.768 62.300 -0.042 0.000 0.873 265 V CB 2.401 34.224 31.823 -0.001 0.000 0.992 265 V HN 0.476 nan 8.190 nan 0.000 0.428 266 L N 3.969 125.061 121.223 -0.218 0.000 2.334 266 L HA 0.988 5.226 4.340 -0.170 0.000 0.276 266 L C 0.417 177.184 176.870 -0.172 0.000 1.014 266 L CA -0.323 54.239 54.840 -0.464 0.000 0.815 266 L CB 2.073 43.377 42.059 -1.259 0.000 1.268 266 L HN 0.790 nan 8.230 nan 0.000 0.428 267 G N 1.206 110.040 108.800 0.056 0.000 2.677 267 G HA2 0.583 4.440 3.960 -0.170 0.000 0.291 267 G HA3 0.583 4.440 3.960 -0.170 0.000 0.291 267 G C -1.843 173.278 174.900 0.368 0.000 1.435 267 G CA -0.441 44.850 45.100 0.319 0.000 0.826 267 G HN 0.240 nan 8.290 nan 0.000 0.491 268 V N 1.839 121.926 119.914 0.288 0.000 2.398 268 V HA 0.476 4.494 4.120 -0.170 0.000 0.286 268 V C -0.515 175.649 176.094 0.117 0.000 1.026 268 V CA -1.053 61.355 62.300 0.180 0.000 0.868 268 V CB 1.327 33.229 31.823 0.131 0.000 0.982 268 V HN 0.642 nan 8.190 nan 0.000 0.443 269 N N 2.145 120.886 118.700 0.070 0.000 2.432 269 N HA 0.311 4.949 4.740 -0.170 0.000 0.292 269 N C 1.134 176.651 175.510 0.012 0.000 1.193 269 N CA -0.613 52.471 53.050 0.056 0.000 0.878 269 N CB 1.170 39.651 38.487 -0.010 0.000 1.252 269 N HN 0.854 nan 8.380 nan 0.000 0.520 270 H N 0.371 119.451 119.070 0.016 0.000 2.457 270 H HA -0.064 4.389 4.556 -0.171 0.000 0.297 270 H C -0.010 175.305 175.328 -0.021 0.000 1.092 270 H CA 1.247 57.295 56.048 -0.000 0.000 1.309 270 H CB -0.149 29.610 29.762 -0.005 0.000 1.382 270 H HN 0.476 nan 8.280 nan 0.000 0.535 271 N N 0.618 118.949 118.700 -0.615 0.000 2.273 271 N HA 0.303 4.941 4.740 -0.170 0.000 0.231 271 N C 0.382 175.753 175.510 -0.231 0.000 1.134 271 N CA 0.342 53.137 53.050 -0.424 0.000 0.856 271 N CB 0.953 39.113 38.487 -0.545 0.000 1.068 271 N HN 0.621 nan 8.380 nan 0.000 0.510 272 G N -0.100 108.608 108.800 -0.154 0.000 2.334 272 G HA2 0.084 3.942 3.960 -0.170 0.000 0.566 272 G HA3 0.084 3.942 3.960 -0.170 0.000 0.566 272 G C -1.304 173.557 174.900 -0.065 0.000 1.413 272 G CA -1.081 43.956 45.100 -0.105 0.000 0.993 272 G HN 0.131 nan 8.290 nan 0.000 0.642 273 I N 0.488 121.013 120.570 -0.075 0.000 2.779 273 I HA 0.520 4.588 4.170 -0.170 0.000 0.285 273 I C 1.006 177.161 176.117 0.064 0.000 1.134 273 I CA 0.235 61.537 61.300 0.005 0.000 1.398 273 I CB 1.598 39.557 38.000 -0.068 0.000 1.404 273 I HN 0.645 nan 8.210 nan 0.000 0.587 274 T N 4.419 119.035 114.554 0.103 0.000 2.883 274 T HA 0.425 4.673 4.350 -0.170 0.000 0.301 274 T C -1.620 173.101 174.700 0.035 0.000 1.158 274 T CA -0.463 61.707 62.100 0.116 0.000 1.007 274 T CB 1.506 70.437 68.868 0.106 0.000 1.186 274 T HN 0.732 nan 8.240 nan 0.000 0.499 275 C N 2.948 122.274 119.300 0.043 0.000 2.396 275 C HA 0.739 5.097 4.460 -0.170 0.000 0.321 275 C C -0.798 174.215 174.990 0.038 0.000 1.233 275 C CA -0.349 58.671 59.018 0.002 0.000 1.440 275 C CB 0.321 28.079 27.740 0.031 0.000 2.110 275 C HN 0.995 nan 8.230 nan 0.000 0.473 276 E N 5.103 125.312 120.200 0.016 0.000 2.145 276 E HA 0.507 4.755 4.350 -0.170 0.000 0.262 276 E C -1.022 175.590 176.600 0.021 0.000 0.883 276 E CA -0.112 56.303 56.400 0.025 0.000 0.748 276 E CB 1.242 30.959 29.700 0.030 0.000 1.140 276 E HN 0.633 nan 8.360 nan 0.000 0.417 277 L N 1.836 123.066 121.223 0.013 0.000 2.309 277 L HA 0.423 4.660 4.340 -0.170 0.000 0.282 277 L C 0.398 177.271 176.870 0.005 0.000 1.036 277 L CA -0.745 54.100 54.840 0.009 0.000 0.806 277 L CB 1.679 43.727 42.059 -0.019 0.000 1.220 277 L HN 0.379 nan 8.230 nan 0.000 0.429 278 S N 0.778 116.491 115.700 0.021 0.000 2.584 278 S HA 0.123 4.490 4.470 -0.170 0.000 0.273 278 S C 1.076 175.640 174.600 -0.060 0.000 1.311 278 S CA -0.618 57.587 58.200 0.007 0.000 1.034 278 S CB 0.881 64.125 63.200 0.073 0.000 0.939 278 S HN 0.653 nan 8.310 nan 0.000 0.513 279 E N 3.239 123.397 120.200 -0.070 0.000 2.267 279 E HA -0.156 4.092 4.350 -0.170 0.000 0.197 279 E C 0.937 177.431 176.600 -0.176 0.000 0.998 279 E CA 1.211 57.552 56.400 -0.098 0.000 0.830 279 E CB -0.367 29.288 29.700 -0.075 0.000 0.751 279 E HN 0.707 nan 8.360 nan 0.000 0.491 280 N N 0.419 118.954 118.700 -0.275 0.000 2.353 280 N HA 0.082 4.719 4.740 -0.170 0.000 0.185 280 N C 1.828 176.877 175.510 -0.768 0.000 1.098 280 N CA -0.247 52.460 53.050 -0.571 0.000 0.872 280 N CB 0.241 38.218 38.487 -0.850 0.000 0.970 280 N HN 0.027 nan 8.380 nan 0.000 0.467 281 L N 2.225 123.221 121.223 -0.378 0.000 1.997 281 L HA -0.150 4.087 4.340 -0.170 0.000 0.216 281 L C -0.501 176.247 176.870 -0.205 0.000 1.074 281 L CA 1.922 56.661 54.840 -0.168 0.000 0.763 281 L CB -1.109 40.913 42.059 -0.063 0.000 0.890 281 L HN 0.161 nan 8.230 nan 0.000 0.434 282 P HA -0.174 nan 4.420 nan 0.000 0.216 282 P C 1.522 178.765 177.300 -0.096 0.000 1.153 282 P CA 2.178 65.198 63.100 -0.134 0.000 0.858 282 P CB -0.308 31.327 31.700 -0.109 0.000 0.789 283 G N -0.798 107.899 108.800 -0.171 0.000 2.418 283 G HA2 -0.269 3.589 3.960 -0.170 0.000 0.217 283 G HA3 -0.269 3.589 3.960 -0.170 0.000 0.217 283 G C 1.430 176.347 174.900 0.028 0.000 1.158 283 G CA 0.582 45.627 45.100 -0.091 0.000 0.771 283 G HN 0.145 nan 8.290 nan 0.000 0.545 284 Y N 0.756 121.046 120.300 -0.017 0.000 2.165 284 Y HA -0.014 4.519 4.550 -0.030 0.000 0.286 284 Y C 2.747 178.603 175.900 -0.072 0.000 1.155 284 Y CA 0.089 58.166 58.100 -0.038 0.000 1.164 284 Y CB -0.695 37.728 38.460 -0.062 0.000 0.978 284 Y HN 0.156 nan 8.280 nan 0.000 0.513 285 I N -1.413 119.155 120.570 -0.003 0.000 2.142 285 I HA -0.337 3.731 4.170 -0.170 0.000 0.240 285 I C 2.327 178.448 176.117 0.008 0.000 1.078 285 I CA 1.531 62.745 61.300 -0.144 0.000 1.343 285 I CB -0.583 37.202 38.000 -0.358 0.000 1.046 285 I HN 0.103 nan 8.210 nan 0.000 0.405 286 F N 1.698 121.621 119.950 -0.045 0.000 2.091 286 F HA -0.301 4.120 4.527 -0.176 0.000 0.299 286 F C 2.624 178.423 175.800 -0.000 0.000 1.103 286 F CA 2.035 60.024 58.000 -0.017 0.000 1.228 286 F CB -0.393 38.592 39.000 -0.026 0.000 0.984 286 F HN -0.058 nan 8.300 nan 0.000 0.477 287 S N -0.191 115.455 115.700 -0.090 0.000 2.387 287 S HA 0.007 4.375 4.470 -0.170 0.000 0.226 287 S C 2.220 176.740 174.600 -0.133 0.000 1.026 287 S CA 0.896 59.012 58.200 -0.140 0.000 0.972 287 S CB -0.831 62.402 63.200 0.055 0.000 0.814 287 S HN 0.599 nan 8.310 nan 0.000 0.477 288 G N 1.322 110.089 108.800 -0.055 0.000 2.408 288 G HA2 -0.051 3.806 3.960 -0.170 0.000 0.213 288 G HA3 -0.051 3.806 3.960 -0.170 0.000 0.213 288 G C 1.427 176.291 174.900 -0.060 0.000 1.177 288 G CA 0.602 45.687 45.100 -0.025 0.000 0.802 288 G HN 0.354 nan 8.290 nan 0.000 0.533 289 V N 2.092 121.965 119.914 -0.068 0.000 2.217 289 V HA -0.255 3.763 4.120 -0.170 0.000 0.248 289 V C 3.369 179.349 176.094 -0.191 0.000 1.050 289 V CA 2.513 64.717 62.300 -0.160 0.000 1.007 289 V CB -1.296 30.449 31.823 -0.130 0.000 0.639 289 V HN 0.481 nan 8.190 nan 0.000 0.452 290 A N 1.129 123.828 122.820 -0.201 0.000 1.881 290 A HA -0.235 3.983 4.320 -0.170 0.000 0.219 290 A C 0.832 178.335 177.584 -0.135 0.000 1.215 290 A CA 2.833 54.766 52.037 -0.173 0.000 0.648 290 A CB -2.306 16.558 19.000 -0.227 0.000 0.832 290 A HN 0.624 nan 8.150 nan 0.000 0.455 291 P HA -0.114 nan 4.420 nan 0.000 0.215 291 P C 1.680 178.918 177.300 -0.104 0.000 1.157 291 P CA 1.913 64.949 63.100 -0.106 0.000 0.868 291 P CB -0.436 31.207 31.700 -0.096 0.000 0.788 292 V N 0.394 120.242 119.914 -0.110 0.000 2.255 292 V HA -0.204 3.814 4.120 -0.170 0.000 0.247 292 V C 2.868 178.811 176.094 -0.253 0.000 1.051 292 V CA 1.944 64.165 62.300 -0.133 0.000 1.018 292 V CB -1.525 30.258 31.823 -0.066 0.000 0.641 292 V HN -0.074 nan 8.190 nan 0.000 0.445 293 V N -0.143 119.629 119.914 -0.237 0.000 2.343 293 V HA -0.274 3.744 4.120 -0.170 0.000 0.247 293 V C 2.607 178.633 176.094 -0.113 0.000 1.051 293 V CA 2.595 64.763 62.300 -0.220 0.000 1.036 293 V CB -1.080 30.751 31.823 0.013 0.000 0.654 293 V HN 0.605 nan 8.190 nan 0.000 0.451 294 T N -0.657 113.863 114.554 -0.057 0.000 2.684 294 T HA -0.234 4.014 4.350 -0.170 0.000 0.267 294 T C 1.959 176.672 174.700 0.021 0.000 1.036 294 T CA 1.905 64.004 62.100 -0.001 0.000 1.148 294 T CB -0.225 68.632 68.868 -0.019 0.000 0.863 294 T HN 0.413 nan 8.240 nan 0.000 0.436 295 E N 0.828 121.009 120.200 -0.033 0.000 2.051 295 E HA -0.069 4.179 4.350 -0.170 0.000 0.192 295 E C 2.095 178.724 176.600 0.049 0.000 0.991 295 E CA 0.886 57.289 56.400 0.004 0.000 0.799 295 E CB -0.420 29.251 29.700 -0.048 0.000 0.748 295 E HN 0.276 nan 8.360 nan 0.000 0.449 296 M N 0.025 119.565 119.600 -0.100 0.000 2.086 296 M HA -0.157 4.221 4.480 -0.170 0.000 0.261 296 M C 2.036 178.300 176.300 -0.060 0.000 1.067 296 M CA 1.513 56.724 55.300 -0.148 0.000 1.116 296 M CB -0.617 31.671 32.600 -0.520 0.000 1.348 296 M HN 0.204 nan 8.290 nan 0.000 0.407 297 L N -1.343 119.848 121.223 -0.054 0.000 2.079 297 L HA -0.247 3.991 4.340 -0.170 0.000 0.210 297 L C 2.369 179.256 176.870 0.028 0.000 1.081 297 L CA 1.541 56.372 54.840 -0.015 0.000 0.752 297 L CB -0.845 41.226 42.059 0.019 0.000 0.896 297 L HN 0.500 nan 8.230 nan 0.000 0.433 298 W N 1.575 122.839 121.300 -0.059 0.000 2.338 298 W HA -0.234 4.324 4.660 -0.171 0.000 0.304 298 W C 2.176 178.673 176.519 -0.038 0.000 1.212 298 W CA 1.652 58.972 57.345 -0.042 0.000 1.264 298 W CB -0.090 29.346 29.460 -0.040 0.000 1.142 298 W HN 0.157 nan 8.180 nan 0.000 0.512 299 D N -0.274 120.179 120.400 0.088 0.000 2.221 299 D HA -0.168 4.369 4.640 -0.170 0.000 0.204 299 D C 0.723 176.909 176.300 -0.190 0.000 0.982 299 D CA 1.341 55.310 54.000 -0.051 0.000 0.857 299 D CB -0.518 40.327 40.800 0.074 0.000 0.934 299 D HN 0.335 nan 8.370 nan 0.000 0.475 300 N N -0.685 117.921 118.700 -0.156 0.000 2.321 300 N HA 0.297 4.935 4.740 -0.170 0.000 0.242 300 N C 0.667 176.064 175.510 -0.188 0.000 1.141 300 N CA 0.272 53.234 53.050 -0.147 0.000 0.864 300 N CB 1.032 39.466 38.487 -0.087 0.000 1.100 300 N HN 0.005 nan 8.380 nan 0.000 0.510 301 G N 0.530 109.148 108.800 -0.303 0.000 2.305 301 G HA2 -0.277 3.581 3.960 -0.170 0.000 0.287 301 G HA3 -0.277 3.581 3.960 -0.170 0.000 0.287 301 G C -0.290 174.508 174.900 -0.169 0.000 1.036 301 G CA 0.487 45.412 45.100 -0.292 0.000 0.887 301 G HN 0.311 nan 8.290 nan 0.000 0.505 302 L N -1.779 119.369 121.223 -0.125 0.000 2.283 302 L HA 0.754 4.992 4.340 -0.170 0.000 0.259 302 L C 0.222 177.096 176.870 0.007 0.000 1.027 302 L CA -1.254 53.551 54.840 -0.058 0.000 0.828 302 L CB 2.032 44.050 42.059 -0.069 0.000 1.380 302 L HN 0.294 nan 8.230 nan 0.000 0.425 303 Q N -0.147 119.674 119.800 0.035 0.000 2.451 303 Q HA 0.455 4.692 4.340 -0.170 0.000 0.281 303 Q C 0.594 176.667 176.000 0.121 0.000 1.099 303 Q CA -0.899 54.955 55.803 0.084 0.000 0.806 303 Q CB 2.833 31.619 28.738 0.081 0.000 1.419 303 Q HN 0.483 nan 8.270 nan 0.000 0.427 304 I N 0.671 121.348 120.570 0.179 0.000 2.236 304 I HA -0.356 3.712 4.170 -0.170 0.000 0.249 304 I C 2.168 178.472 176.117 0.311 0.000 1.102 304 I CA 2.133 63.627 61.300 0.323 0.000 1.365 304 I CB -0.430 37.710 38.000 0.233 0.000 1.051 304 I HN 0.742 nan 8.210 nan 0.000 0.420 305 S N -0.364 115.443 115.700 0.179 0.000 2.547 305 S HA -0.124 4.244 4.470 -0.170 0.000 0.235 305 S C 1.186 175.852 174.600 0.110 0.000 0.980 305 S CA 0.930 59.217 58.200 0.145 0.000 0.941 305 S CB -0.311 62.945 63.200 0.093 0.000 0.763 305 S HN 0.406 nan 8.310 nan 0.000 0.532 306 D N 0.866 121.314 120.400 0.081 0.000 2.349 306 D HA 0.237 4.774 4.640 -0.170 0.000 0.214 306 D C -0.103 176.173 176.300 -0.040 0.000 1.063 306 D CA 0.024 54.033 54.000 0.015 0.000 0.847 306 D CB 0.156 40.948 40.800 -0.013 0.000 0.933 306 D HN 0.379 nan 8.370 nan 0.000 0.513 307 I N 1.877 122.428 120.570 -0.031 0.000 2.312 307 I HA 0.057 4.124 4.170 -0.170 0.000 0.291 307 I C 1.241 177.243 176.117 -0.191 0.000 1.031 307 I CA -0.337 60.810 61.300 -0.255 0.000 1.293 307 I CB 1.244 38.844 38.000 -0.667 0.000 1.403 307 I HN -0.210 nan 8.210 nan 0.000 0.484 308 D N 5.468 125.739 120.400 -0.216 0.000 2.149 308 D HA 0.036 4.574 4.640 -0.170 0.000 0.201 308 D C 0.453 176.684 176.300 -0.114 0.000 0.972 308 D CA 1.313 55.247 54.000 -0.110 0.000 0.835 308 D CB 0.657 41.400 40.800 -0.094 0.000 0.966 308 D HN 0.329 nan 8.370 nan 0.000 0.476 309 L N -0.390 120.660 121.223 -0.289 0.000 2.381 309 L HA 0.388 4.626 4.340 -0.170 0.000 0.268 309 L C -1.322 175.317 176.870 -0.385 0.000 0.997 309 L CA -0.828 53.907 54.840 -0.176 0.000 0.818 309 L CB 2.265 44.304 42.059 -0.033 0.000 1.310 309 L HN -0.115 nan 8.230 nan 0.000 0.416 310 W N 2.190 123.526 121.300 0.060 0.000 2.485 310 W HA 0.554 5.114 4.660 -0.165 0.000 0.297 310 W C -0.009 176.516 176.519 0.009 0.000 0.999 310 W CA -0.476 56.892 57.345 0.039 0.000 1.512 310 W CB 1.668 31.151 29.460 0.038 0.000 1.322 310 W HN 0.489 nan 8.180 nan 0.000 0.419 311 A N 4.678 127.619 122.820 0.203 0.000 2.990 311 A HA 0.369 4.587 4.320 -0.170 0.000 0.282 311 A C 0.016 177.540 177.584 -0.099 0.000 1.688 311 A CA -0.121 51.974 52.037 0.097 0.000 1.391 311 A CB -0.705 18.374 19.000 0.132 0.000 1.112 311 A HN 0.596 nan 8.150 nan 0.000 0.588 312 I N 1.843 122.314 120.570 -0.164 0.000 2.416 312 I HA 0.048 4.116 4.170 -0.170 0.000 0.288 312 I C 0.801 176.792 176.117 -0.209 0.000 1.051 312 I CA -0.620 60.441 61.300 -0.400 0.000 1.375 312 I CB 0.574 38.407 38.000 -0.278 0.000 1.407 312 I HN 0.644 nan 8.210 nan 0.000 0.516 313 H N 9.522 128.444 119.070 -0.247 0.000 3.145 313 H HA 0.045 4.497 4.556 -0.174 0.000 0.288 313 H C -1.944 173.344 175.328 -0.066 0.000 0.969 313 H CA -1.599 54.390 56.048 -0.099 0.000 1.444 313 H CB 0.481 30.221 29.762 -0.036 0.000 1.500 313 H HN 0.267 nan 8.280 nan 0.000 0.552 314 P HA 0.070 nan 4.420 nan 0.000 0.231 314 P C 0.651 177.563 177.300 -0.647 0.000 1.756 314 P CA 0.232 63.029 63.100 -0.505 0.000 0.990 314 P CB -0.199 31.337 31.700 -0.273 0.000 1.973 315 G N 0.355 108.733 108.800 -0.704 0.000 2.920 315 G HA2 0.362 4.220 3.960 -0.170 0.000 0.208 315 G HA3 0.362 4.220 3.960 -0.170 0.000 0.208 315 G C 0.655 175.438 174.900 -0.196 0.000 1.159 315 G CA 0.312 45.200 45.100 -0.353 0.000 0.784 315 G HN 0.684 nan 8.290 nan 0.000 0.535 316 G N -1.032 107.634 108.800 -0.222 0.000 2.353 316 G HA2 0.264 4.121 3.960 -0.170 0.000 0.308 316 G HA3 0.264 4.121 3.960 -0.170 0.000 0.308 316 G C -2.058 172.759 174.900 -0.138 0.000 1.418 316 G CA -0.090 44.914 45.100 -0.159 0.000 0.966 316 G HN -0.114 nan 8.290 nan 0.000 0.638 317 P HA -0.159 nan 4.420 nan 0.000 0.213 317 P C 1.467 178.819 177.300 0.086 0.000 1.170 317 P CA 1.689 64.894 63.100 0.175 0.000 0.902 317 P CB 0.024 31.877 31.700 0.255 0.000 0.789 318 K N -0.674 119.745 120.400 0.031 0.000 2.286 318 K HA -0.105 4.113 4.320 -0.170 0.000 0.203 318 K C 2.268 178.855 176.600 -0.021 0.000 1.045 318 K CA 1.143 57.433 56.287 0.005 0.000 0.935 318 K CB -0.501 31.980 32.500 -0.033 0.000 0.737 318 K HN 0.274 nan 8.250 nan 0.000 0.460 319 I N 0.370 120.907 120.570 -0.055 0.000 2.400 319 I HA -0.182 3.886 4.170 -0.170 0.000 0.248 319 I C 2.176 178.280 176.117 -0.021 0.000 1.109 319 I CA 0.866 62.143 61.300 -0.039 0.000 1.425 319 I CB -0.155 37.838 38.000 -0.011 0.000 1.094 319 I HN 0.050 nan 8.210 nan 0.000 0.425 320 I N 0.748 121.202 120.570 -0.193 0.000 2.163 320 I HA -0.265 3.803 4.170 -0.170 0.000 0.240 320 I C 2.627 178.687 176.117 -0.094 0.000 1.081 320 I CA 1.384 62.483 61.300 -0.335 0.000 1.353 320 I CB -0.475 36.866 38.000 -1.098 0.000 1.054 320 I HN 0.278 nan 8.210 nan 0.000 0.407 321 E N 0.859 121.077 120.200 0.031 0.000 2.048 321 E HA -0.310 3.938 4.350 -0.170 0.000 0.202 321 E C 2.193 178.874 176.600 0.135 0.000 1.021 321 E CA 1.683 58.206 56.400 0.206 0.000 0.825 321 E CB 0.040 29.875 29.700 0.225 0.000 0.756 321 E HN 0.386 nan 8.360 nan 0.000 0.454 322 Q N -0.126 119.735 119.800 0.102 0.000 2.297 322 Q HA -0.020 4.218 4.340 -0.170 0.000 0.204 322 Q C 2.132 178.253 176.000 0.202 0.000 0.962 322 Q CA 0.698 56.588 55.803 0.145 0.000 0.879 322 Q CB 0.014 28.811 28.738 0.098 0.000 0.947 322 Q HN 0.149 nan 8.270 nan 0.000 0.462 323 S N -0.296 115.511 115.700 0.180 0.000 2.387 323 S HA -0.054 4.313 4.470 -0.170 0.000 0.226 323 S C 1.914 176.614 174.600 0.166 0.000 1.026 323 S CA 0.652 59.012 58.200 0.267 0.000 0.972 323 S CB 0.159 63.604 63.200 0.409 0.000 0.814 323 S HN 0.159 nan 8.310 nan 0.000 0.477 324 V N 1.555 121.531 119.914 0.103 0.000 2.453 324 V HA -0.038 3.980 4.120 -0.170 0.000 0.247 324 V C 2.474 178.597 176.094 0.048 0.000 1.048 324 V CA 1.716 64.033 62.300 0.028 0.000 1.049 324 V CB -0.598 31.269 31.823 0.073 0.000 0.672 324 V HN 0.381 nan 8.190 nan 0.000 0.457 325 R N 0.011 120.593 120.500 0.136 0.000 2.066 325 R HA -0.159 4.079 4.340 -0.170 0.000 0.232 325 R C 2.682 179.139 176.300 0.262 0.000 1.131 325 R CA 1.679 57.898 56.100 0.199 0.000 0.955 325 R CB -0.464 29.970 30.300 0.222 0.000 0.851 325 R HN 0.462 nan 8.270 nan 0.000 0.432 326 S N 0.467 116.305 115.700 0.229 0.000 2.359 326 S HA -0.135 4.233 4.470 -0.170 0.000 0.223 326 S C 1.836 176.368 174.600 -0.114 0.000 1.039 326 S CA 1.430 59.563 58.200 -0.111 0.000 1.042 326 S CB -0.226 62.855 63.200 -0.199 0.000 0.915 326 S HN 0.386 nan 8.310 nan 0.000 0.439 327 L N 0.797 121.957 121.223 -0.105 0.000 2.465 327 L HA 0.141 4.379 4.340 -0.170 0.000 0.224 327 L C 1.675 178.473 176.870 -0.121 0.000 1.145 327 L CA 0.460 55.195 54.840 -0.176 0.000 0.834 327 L CB -0.836 40.978 42.059 -0.408 0.000 0.944 327 L HN 0.610 nan 8.230 nan 0.000 0.451 328 G N 1.198 109.967 108.800 -0.051 0.000 2.273 328 G HA2 -0.286 3.572 3.960 -0.170 0.000 0.280 328 G HA3 -0.286 3.572 3.960 -0.170 0.000 0.280 328 G C 0.087 174.966 174.900 -0.035 0.000 1.047 328 G CA 0.275 45.369 45.100 -0.010 0.000 0.869 328 G HN 0.340 nan 8.290 nan 0.000 0.502 329 I N -0.471 120.047 120.570 -0.087 0.000 2.947 329 I HA 0.526 4.593 4.170 -0.170 0.000 0.314 329 I C 1.164 177.268 176.117 -0.021 0.000 1.028 329 I CA -0.895 60.355 61.300 -0.082 0.000 1.077 329 I CB 1.647 39.503 38.000 -0.238 0.000 1.274 329 I HN 0.159 nan 8.210 nan 0.000 0.485 330 S N 1.520 117.231 115.700 0.017 0.000 2.549 330 S HA 0.174 4.542 4.470 -0.170 0.000 0.286 330 S C 1.147 175.786 174.600 0.066 0.000 1.314 330 S CA 0.074 58.302 58.200 0.046 0.000 1.062 330 S CB 1.035 64.274 63.200 0.064 0.000 0.865 330 S HN 0.681 nan 8.310 nan 0.000 0.498 331 A N 4.383 127.250 122.820 0.078 0.000 1.978 331 A HA -0.119 4.098 4.320 -0.170 0.000 0.220 331 A C 1.896 179.576 177.584 0.160 0.000 1.170 331 A CA 1.950 54.064 52.037 0.128 0.000 0.636 331 A CB -0.768 18.283 19.000 0.085 0.000 0.810 331 A HN 0.973 nan 8.150 nan 0.000 0.448 332 E N -0.188 120.081 120.200 0.115 0.000 2.153 332 E HA -0.105 4.143 4.350 -0.170 0.000 0.194 332 E C 1.525 178.223 176.600 0.162 0.000 0.988 332 E CA 0.787 57.262 56.400 0.124 0.000 0.811 332 E CB -0.279 29.475 29.700 0.089 0.000 0.746 332 E HN 0.594 nan 8.360 nan 0.000 0.466 333 L N 0.193 121.513 121.223 0.162 0.000 2.642 333 L HA -0.061 4.177 4.340 -0.170 0.000 0.236 333 L C 1.266 178.278 176.870 0.236 0.000 1.169 333 L CA 0.141 55.110 54.840 0.215 0.000 0.851 333 L CB -0.090 42.120 42.059 0.251 0.000 0.968 333 L HN 0.087 nan 8.230 nan 0.000 0.453 334 A N -1.380 121.573 122.820 0.221 0.000 2.701 334 A HA 0.534 4.751 4.320 -0.170 0.000 0.297 334 A C 1.692 179.452 177.584 0.293 0.000 1.197 334 A CA 0.448 52.604 52.037 0.198 0.000 0.963 334 A CB 0.079 19.158 19.000 0.131 0.000 1.175 334 A HN 0.245 nan 8.150 nan 0.000 0.531 335 A N 0.142 123.122 122.820 0.267 0.000 1.845 335 A HA -0.157 4.061 4.320 -0.170 0.000 0.215 335 A C 2.009 179.728 177.584 0.225 0.000 1.195 335 A CA 1.933 54.127 52.037 0.261 0.000 0.616 335 A CB -0.490 18.616 19.000 0.177 0.000 0.832 335 A HN 0.497 nan 8.150 nan 0.000 0.443 336 Q N 0.319 120.220 119.800 0.169 0.000 2.077 336 Q HA -0.135 4.102 4.340 -0.170 0.000 0.206 336 Q C 2.413 178.489 176.000 0.126 0.000 0.989 336 Q CA 2.109 57.998 55.803 0.143 0.000 0.853 336 Q CB -0.558 28.255 28.738 0.124 0.000 0.907 336 Q HN 0.615 nan 8.270 nan 0.000 0.418 337 S N -0.311 115.429 115.700 0.067 0.000 2.353 337 S HA -0.181 4.187 4.470 -0.170 0.000 0.222 337 S C 1.487 176.064 174.600 -0.039 0.000 1.035 337 S CA 1.302 59.471 58.200 -0.052 0.000 1.025 337 S CB -0.604 62.473 63.200 -0.206 0.000 0.902 337 S HN 0.484 nan 8.310 nan 0.000 0.440 338 W N 1.641 122.964 121.300 0.038 0.000 2.331 338 W HA -0.168 4.385 4.660 -0.178 0.000 0.291 338 W C 2.255 178.791 176.519 0.028 0.000 1.214 338 W CA 0.949 58.307 57.345 0.023 0.000 1.228 338 W CB -0.337 29.136 29.460 0.021 0.000 1.135 338 W HN 0.384 nan 8.180 nan 0.000 0.537 339 D N -0.485 120.075 120.400 0.267 0.000 2.084 339 D HA -0.177 4.361 4.640 -0.170 0.000 0.196 339 D C 2.069 178.475 176.300 0.177 0.000 0.985 339 D CA 1.693 55.806 54.000 0.189 0.000 0.826 339 D CB -0.336 40.565 40.800 0.169 0.000 0.978 339 D HN -0.125 nan 8.370 nan 0.000 0.456 340 V N 1.130 121.170 119.914 0.210 0.000 2.252 340 V HA -0.220 3.798 4.120 -0.170 0.000 0.249 340 V C 2.538 178.756 176.094 0.206 0.000 1.056 340 V CA 1.454 63.937 62.300 0.304 0.000 1.022 340 V CB -0.665 31.302 31.823 0.240 0.000 0.641 340 V HN 0.427 nan 8.190 nan 0.000 0.445 341 L N 0.254 121.536 121.223 0.099 0.000 2.127 341 L HA -0.181 4.056 4.340 -0.170 0.000 0.211 341 L C 2.385 179.296 176.870 0.068 0.000 1.089 341 L CA 2.572 57.441 54.840 0.048 0.000 0.757 341 L CB -1.014 41.042 42.059 -0.005 0.000 0.899 341 L HN 0.386 nan 8.230 nan 0.000 0.434 342 A N 0.022 122.898 122.820 0.092 0.000 1.898 342 A HA -0.152 4.066 4.320 -0.170 0.000 0.214 342 A C 2.280 179.829 177.584 -0.059 0.000 1.183 342 A CA 1.103 53.167 52.037 0.045 0.000 0.622 342 A CB -0.297 18.744 19.000 0.069 0.000 0.824 342 A HN 0.469 nan 8.150 nan 0.000 0.444 343 R N -2.303 118.106 120.500 -0.152 0.000 2.173 343 R HA 0.172 4.410 4.340 -0.170 0.000 0.208 343 R C 0.613 176.485 176.300 -0.714 0.000 1.035 343 R CA 1.078 56.886 56.100 -0.487 0.000 1.004 343 R CB -0.034 29.825 30.300 -0.735 0.000 0.917 343 R HN 0.550 nan 8.270 nan 0.000 0.462 344 F N -0.808 119.142 119.950 -0.000 0.000 2.767 344 F HA 0.386 4.810 4.527 -0.173 0.000 0.323 344 F C 1.277 177.039 175.800 -0.065 0.000 1.091 344 F CA 0.194 58.161 58.000 -0.055 0.000 1.192 344 F CB 0.699 39.597 39.000 -0.170 0.000 1.056 344 F HN 0.124 nan 8.300 nan 0.000 0.571 345 G N 1.628 110.476 108.800 0.080 0.000 2.562 345 G HA2 -0.333 3.525 3.960 -0.170 0.000 0.250 345 G HA3 -0.333 3.525 3.960 -0.170 0.000 0.250 345 G C -0.548 174.357 174.900 0.007 0.000 1.269 345 G CA -0.165 44.948 45.100 0.021 0.000 0.919 345 G HN 0.399 nan 8.290 nan 0.000 0.574 346 N N 1.118 119.816 118.700 -0.004 0.000 2.546 346 N HA 0.554 5.192 4.740 -0.170 0.000 0.238 346 N C 0.913 176.528 175.510 0.174 0.000 0.984 346 N CA -0.183 52.894 53.050 0.045 0.000 0.935 346 N CB 0.162 38.656 38.487 0.011 0.000 1.122 346 N HN 0.640 nan 8.380 nan 0.000 0.510 347 M N 2.942 122.584 119.600 0.070 0.000 3.007 347 M HA 0.233 4.611 4.480 -0.170 0.000 0.288 347 M C -0.297 176.028 176.300 0.042 0.000 1.246 347 M CA -0.614 54.702 55.300 0.026 0.000 1.040 347 M CB -0.285 32.237 32.600 -0.131 0.000 1.254 347 M HN 0.179 nan 8.290 nan 0.000 0.517 348 L N 0.014 121.316 121.223 0.132 0.000 6.593 348 L HA -0.407 3.830 4.340 -0.170 0.000 0.053 348 L C 1.978 178.867 176.870 0.032 0.000 1.816 348 L CA 2.437 57.327 54.840 0.083 0.000 1.701 348 L CB -1.964 40.063 42.059 -0.055 0.000 2.696 348 L HN 0.763 nan 8.230 nan 0.000 1.037 349 S N -1.474 114.204 115.700 -0.037 0.000 2.440 349 S HA -0.153 4.215 4.470 -0.170 0.000 0.240 349 S C 1.567 176.168 174.600 0.001 0.000 1.014 349 S CA 1.653 59.821 58.200 -0.053 0.000 0.980 349 S CB -0.679 62.505 63.200 -0.028 0.000 0.775 349 S HN 0.394 nan 8.310 nan 0.000 0.499 350 V N 1.645 121.577 119.914 0.031 0.000 2.379 350 V HA -0.111 3.907 4.120 -0.170 0.000 0.245 350 V C 2.842 178.997 176.094 0.102 0.000 1.044 350 V CA 1.778 64.118 62.300 0.067 0.000 1.036 350 V CB -1.337 30.503 31.823 0.028 0.000 0.664 350 V HN 0.550 nan 8.190 nan 0.000 0.453 351 S N 0.430 116.156 115.700 0.043 0.000 2.378 351 S HA -0.303 4.065 4.470 -0.170 0.000 0.229 351 S C 1.940 176.640 174.600 0.166 0.000 1.052 351 S CA 2.153 60.389 58.200 0.060 0.000 1.084 351 S CB -0.613 62.658 63.200 0.119 0.000 0.950 351 S HN 0.401 nan 8.310 nan 0.000 0.440 352 L N 1.708 123.041 121.223 0.183 0.000 1.997 352 L HA -0.155 4.083 4.340 -0.170 0.000 0.216 352 L C 2.023 178.932 176.870 0.065 0.000 1.074 352 L CA 1.731 56.635 54.840 0.107 0.000 0.763 352 L CB -0.705 41.368 42.059 0.024 0.000 0.890 352 L HN 0.365 nan 8.230 nan 0.000 0.434 353 I N -2.069 118.547 120.570 0.076 0.000 2.361 353 I HA -0.325 3.743 4.170 -0.170 0.000 0.251 353 I C 2.208 178.358 176.117 0.055 0.000 1.133 353 I CA 1.011 62.331 61.300 0.034 0.000 1.413 353 I CB -0.397 37.622 38.000 0.033 0.000 1.073 353 I HN 0.165 nan 8.210 nan 0.000 0.424 354 F N 0.625 120.527 119.950 -0.079 0.000 2.134 354 F HA -0.178 4.248 4.527 -0.169 0.000 0.299 354 F C 2.462 178.238 175.800 -0.039 0.000 1.097 354 F CA 1.317 59.260 58.000 -0.094 0.000 1.264 354 F CB -0.869 38.040 39.000 -0.151 0.000 1.001 354 F HN -0.200 nan 8.300 nan 0.000 0.479 355 V N 0.044 120.061 119.914 0.172 0.000 2.295 355 V HA -0.302 3.716 4.120 -0.170 0.000 0.246 355 V C 2.491 178.606 176.094 0.035 0.000 1.049 355 V CA 1.608 63.968 62.300 0.101 0.000 1.024 355 V CB -0.708 31.157 31.823 0.070 0.000 0.648 355 V HN 0.322 nan 8.190 nan 0.000 0.447 356 L N -0.100 121.107 121.223 -0.028 0.000 2.042 356 L HA -0.245 3.993 4.340 -0.170 0.000 0.210 356 L C 2.661 179.480 176.870 -0.084 0.000 1.076 356 L CA 2.268 57.041 54.840 -0.112 0.000 0.749 356 L CB -0.350 41.576 42.059 -0.221 0.000 0.893 356 L HN 0.502 nan 8.230 nan 0.000 0.432 357 E N -0.771 119.375 120.200 -0.091 0.000 2.049 357 E HA -0.268 3.979 4.350 -0.170 0.000 0.198 357 E C 1.842 178.414 176.600 -0.047 0.000 1.007 357 E CA 2.274 58.613 56.400 -0.101 0.000 0.809 357 E CB -0.006 29.583 29.700 -0.184 0.000 0.749 357 E HN 0.470 nan 8.360 nan 0.000 0.450 358 T N 1.234 115.783 114.554 -0.009 0.000 2.597 358 T HA -0.245 4.002 4.350 -0.170 0.000 0.267 358 T C 1.899 176.620 174.700 0.035 0.000 1.053 358 T CA 2.177 64.298 62.100 0.033 0.000 1.165 358 T CB -0.284 68.631 68.868 0.077 0.000 0.863 358 T HN 0.273 nan 8.240 nan 0.000 0.427 359 M N 0.566 120.191 119.600 0.042 0.000 2.195 359 M HA -0.103 4.275 4.480 -0.170 0.000 0.260 359 M C 2.406 178.732 176.300 0.043 0.000 1.066 359 M CA 1.265 56.601 55.300 0.060 0.000 1.089 359 M CB -0.704 31.951 32.600 0.093 0.000 1.377 359 M HN 0.111 nan 8.290 nan 0.000 0.411 360 V N 0.065 119.986 119.914 0.012 0.000 2.548 360 V HA -0.211 3.807 4.120 -0.170 0.000 0.249 360 V C 2.127 178.223 176.094 0.005 0.000 1.055 360 V CA 1.562 63.864 62.300 0.003 0.000 1.065 360 V CB -0.613 31.193 31.823 -0.028 0.000 0.681 360 V HN 0.526 nan 8.190 nan 0.000 0.462 361 Q N 0.310 120.112 119.800 0.003 0.000 2.245 361 Q HA -0.014 4.224 4.340 -0.170 0.000 0.201 361 Q C 0.668 176.678 176.000 0.018 0.000 0.955 361 Q CA 0.565 56.371 55.803 0.006 0.000 0.870 361 Q CB 0.202 28.941 28.738 0.002 0.000 0.945 361 Q HN 0.805 nan 8.270 nan 0.000 0.461 362 Q N -0.518 119.298 119.800 0.028 0.000 2.285 362 Q HA 0.687 4.924 4.340 -0.170 0.000 0.269 362 Q C -1.424 174.600 176.000 0.039 0.000 1.030 362 Q CA -0.774 55.049 55.803 0.033 0.000 0.788 362 Q CB 1.728 30.489 28.738 0.039 0.000 1.266 362 Q HN -0.005 nan 8.270 nan 0.000 0.438 363 A N 2.543 125.384 122.820 0.035 0.000 2.425 363 A HA 0.187 4.405 4.320 -0.170 0.000 0.249 363 A C 0.811 178.419 177.584 0.041 0.000 1.084 363 A CA -0.190 51.868 52.037 0.036 0.000 0.781 363 A CB 0.300 19.316 19.000 0.028 0.000 1.019 363 A HN 0.899 nan 8.150 nan 0.000 0.490 364 E N 1.289 121.516 120.200 0.044 0.000 2.474 364 E HA 0.066 4.314 4.350 -0.170 0.000 0.194 364 E C 0.409 177.034 176.600 0.041 0.000 1.041 364 E CA 0.890 57.320 56.400 0.050 0.000 0.874 364 E CB -0.367 29.369 29.700 0.060 0.000 0.914 364 E HN 0.707 nan 8.360 nan 0.000 0.498 365 S N -1.225 114.494 115.700 0.031 0.000 2.843 365 S HA 0.737 5.105 4.470 -0.170 0.000 0.301 365 S C 0.153 174.765 174.600 0.020 0.000 1.206 365 S CA -0.326 57.889 58.200 0.025 0.000 0.875 365 S CB 0.875 64.087 63.200 0.019 0.000 1.248 365 S HN 0.150 nan 8.310 nan 0.000 0.555 366 A N 0.244 123.073 122.820 0.016 0.000 2.431 366 A HA 0.360 4.577 4.320 -0.170 0.000 0.239 366 A C 0.591 178.180 177.584 0.009 0.000 1.230 366 A CA -0.384 51.661 52.037 0.013 0.000 0.928 366 A CB -0.375 18.633 19.000 0.012 0.000 1.006 366 A HN 0.718 nan 8.150 nan 0.000 0.520 367 K N 0.547 120.951 120.400 0.006 0.000 2.270 367 K HA 0.638 4.856 4.320 -0.170 0.000 0.276 367 K C 0.070 176.671 176.600 0.001 0.000 1.023 367 K CA 0.048 56.336 56.287 0.002 0.000 0.955 367 K CB 1.018 33.516 32.500 -0.004 0.000 0.975 367 K HN 0.066 nan 8.250 nan 0.000 0.471 368 A N 4.103 126.923 122.820 -0.000 0.000 2.477 368 A HA 0.330 4.548 4.320 -0.170 0.000 0.246 368 A C 0.267 177.849 177.584 -0.002 0.000 1.078 368 A CA -0.546 51.492 52.037 0.001 0.000 0.770 368 A CB -0.524 18.476 19.000 -0.000 0.000 1.011 368 A HN 0.905 nan 8.150 nan 0.000 0.494 369 I N 0.817 121.388 120.570 0.002 0.000 8.479 369 I HA -0.194 3.874 4.170 -0.170 0.000 0.126 369 I C -0.005 176.104 176.117 -0.013 0.000 1.851 369 I CA 0.305 61.604 61.300 -0.001 0.000 2.049 369 I CB -1.354 36.641 38.000 -0.009 0.000 3.827 369 I HN 0.614 nan 8.210 nan 0.000 0.173 370 S N 4.901 120.596 115.700 -0.008 0.000 2.454 370 S HA 0.585 4.952 4.470 -0.170 0.000 0.306 370 S C 0.027 174.573 174.600 -0.090 0.000 1.100 370 S CA -0.640 57.539 58.200 -0.035 0.000 1.087 370 S CB 2.063 65.261 63.200 -0.004 0.000 1.019 370 S HN 0.570 nan 8.310 nan 0.000 0.480 371 T N 2.496 116.949 114.554 -0.169 0.000 2.875 371 T HA 0.738 4.985 4.350 -0.170 0.000 0.284 371 T C 0.366 174.748 174.700 -0.530 0.000 0.995 371 T CA -0.464 61.452 62.100 -0.306 0.000 1.060 371 T CB 1.339 70.056 68.868 -0.252 0.000 0.967 371 T HN 0.787 nan 8.240 nan 0.000 0.476 372 G N 0.640 108.851 108.800 -0.981 0.000 2.698 372 G HA2 0.590 4.447 3.960 -0.170 0.000 0.293 372 G HA3 0.590 4.447 3.960 -0.170 0.000 0.293 372 G C -1.731 172.275 174.900 -1.490 0.000 1.437 372 G CA -0.506 43.821 45.100 -1.288 0.000 0.852 372 G HN 0.684 nan 8.290 nan 0.000 0.499 373 V N 0.106 119.501 119.914 -0.865 0.000 2.628 373 V HA 0.850 4.868 4.120 -0.170 0.000 0.306 373 V C 0.317 176.547 176.094 0.225 0.000 1.045 373 V CA -0.451 61.700 62.300 -0.248 0.000 0.905 373 V CB 1.411 33.108 31.823 -0.210 0.000 0.997 373 V HN 1.329 nan 8.190 nan 0.000 0.436 374 A N 4.558 127.652 122.820 0.456 0.000 2.401 374 A HA 1.060 5.277 4.320 -0.170 0.000 0.310 374 A C -1.143 176.601 177.584 0.266 0.000 1.075 374 A CA -0.488 51.720 52.037 0.285 0.000 0.746 374 A CB 1.593 20.729 19.000 0.228 0.000 1.277 374 A HN 1.400 nan 8.150 nan 0.000 0.425 375 F N -1.281 118.725 119.950 0.092 0.000 2.708 375 F HA 0.844 5.265 4.527 -0.176 0.000 0.309 375 F C -0.482 175.179 175.800 -0.233 0.000 1.120 375 F CA -0.567 57.379 58.000 -0.090 0.000 0.978 375 F CB 0.692 39.725 39.000 0.056 0.000 1.283 375 F HN 1.146 nan 8.300 nan 0.000 0.439 376 A N 1.282 124.014 122.820 -0.147 0.000 2.524 376 A HA 0.924 5.141 4.320 -0.170 0.000 0.289 376 A C -2.272 174.912 177.584 -0.668 0.000 1.248 376 A CA -0.870 50.957 52.037 -0.350 0.000 0.712 376 A CB 1.339 20.155 19.000 -0.307 0.000 1.312 376 A HN 0.701 nan 8.150 nan 0.000 0.441 377 F N -0.215 119.780 119.950 0.074 0.000 2.518 377 F HA 0.638 5.084 4.527 -0.136 0.000 0.323 377 F C 0.776 176.575 175.800 -0.002 0.000 1.129 377 F CA -0.267 57.773 58.000 0.067 0.000 0.920 377 F CB 2.304 41.379 39.000 0.125 0.000 1.160 377 F HN 0.797 nan 8.300 nan 0.000 0.440 378 G N 1.870 110.750 108.800 0.132 0.000 2.644 378 G HA2 0.709 4.567 3.960 -0.170 0.000 0.307 378 G HA3 0.709 4.567 3.960 -0.170 0.000 0.307 378 G C -3.005 171.930 174.900 0.059 0.000 1.250 378 G CA -2.195 42.938 45.100 0.055 0.000 0.996 378 G HN 0.286 nan 8.290 nan 0.000 0.489 379 P HA 0.080 nan 4.420 nan 0.000 0.267 379 P C 0.986 178.294 177.300 0.013 0.000 1.195 379 P CA 1.650 64.752 63.100 0.004 0.000 0.773 379 P CB 0.908 32.590 31.700 -0.030 0.000 0.837 380 G N 0.658 109.460 108.800 0.002 0.000 2.253 380 G HA2 -0.275 3.583 3.960 -0.170 0.000 0.251 380 G HA3 -0.275 3.583 3.960 -0.170 0.000 0.251 380 G C 0.087 174.972 174.900 -0.026 0.000 0.998 380 G CA -0.096 44.996 45.100 -0.013 0.000 0.621 380 G HN 0.748 nan 8.290 nan 0.000 0.524 381 V N -0.022 119.900 119.914 0.014 0.000 4.139 381 V HA -0.144 3.874 4.120 -0.170 0.000 0.423 381 V C 0.378 176.514 176.094 0.070 0.000 0.673 381 V CA 1.467 63.798 62.300 0.052 0.000 1.778 381 V CB -1.839 29.959 31.823 -0.042 0.000 2.178 381 V HN 1.223 nan 8.190 nan 0.000 0.486 382 T N 4.273 118.894 114.554 0.112 0.000 2.824 382 T HA 0.640 4.888 4.350 -0.170 0.000 0.282 382 T C -0.074 174.695 174.700 0.114 0.000 0.993 382 T CA -0.652 61.499 62.100 0.085 0.000 0.967 382 T CB 2.205 71.095 68.868 0.037 0.000 0.960 382 T HN 0.436 nan 8.240 nan 0.000 0.441 383 V N 3.148 123.119 119.914 0.095 0.000 2.406 383 V HA 0.436 4.454 4.120 -0.170 0.000 0.272 383 V C 0.079 176.128 176.094 -0.076 0.000 1.043 383 V CA -0.525 61.783 62.300 0.014 0.000 0.915 383 V CB 1.027 32.904 31.823 0.090 0.000 0.988 383 V HN 0.773 nan 8.190 nan 0.000 0.466 384 E N 2.929 123.007 120.200 -0.202 0.000 2.176 384 E HA 0.760 5.008 4.350 -0.170 0.000 0.267 384 E C 0.151 176.474 176.600 -0.461 0.000 0.893 384 E CA 0.129 56.349 56.400 -0.300 0.000 0.761 384 E CB 1.801 31.384 29.700 -0.195 0.000 1.133 384 E HN 0.882 nan 8.360 nan 0.000 0.409 385 G N 1.957 110.186 108.800 -0.951 0.000 2.634 385 G HA2 0.675 4.532 3.960 -0.170 0.000 0.309 385 G HA3 0.675 4.532 3.960 -0.170 0.000 0.309 385 G C -1.327 173.085 174.900 -0.813 0.000 1.299 385 G CA -0.556 44.020 45.100 -0.873 0.000 0.798 385 G HN 0.537 nan 8.290 nan 0.000 0.490 386 M N -1.344 118.216 119.600 -0.066 0.000 2.643 386 M HA 0.742 5.120 4.480 -0.170 0.000 0.276 386 M C -2.109 174.452 176.300 0.434 0.000 1.200 386 M CA -0.938 54.514 55.300 0.252 0.000 0.863 386 M CB 2.140 34.819 32.600 0.133 0.000 1.711 386 M HN 0.739 nan 8.290 nan 0.000 0.492 387 L N 3.345 124.758 121.223 0.317 0.000 2.282 387 L HA 0.878 5.116 4.340 -0.170 0.000 0.288 387 L C -1.580 175.370 176.870 0.133 0.000 1.033 387 L CA -0.065 54.840 54.840 0.108 0.000 0.807 387 L CB 0.902 42.985 42.059 0.040 0.000 1.209 387 L HN 0.751 nan 8.230 nan 0.000 0.423 388 F N 1.253 121.193 119.950 -0.017 0.000 2.640 388 F HA 0.811 5.234 4.527 -0.172 0.000 0.324 388 F C -1.098 174.676 175.800 -0.043 0.000 1.077 388 F CA -1.023 56.963 58.000 -0.025 0.000 0.965 388 F CB 1.267 40.253 39.000 -0.022 0.000 1.351 388 F HN 0.292 nan 8.300 nan 0.000 0.487 389 D N 1.290 121.806 120.400 0.192 0.000 2.646 389 D HA 0.525 5.063 4.640 -0.170 0.000 0.245 389 D C -0.965 175.434 176.300 0.165 0.000 1.099 389 D CA -0.130 53.922 54.000 0.087 0.000 0.849 389 D CB 2.537 43.354 40.800 0.029 0.000 1.448 389 D HN 0.592 nan 8.370 nan 0.000 0.489 390 I N 3.163 123.811 120.570 0.131 0.000 2.359 390 I HA 0.253 4.321 4.170 -0.170 0.000 0.284 390 I C -0.225 175.924 176.117 0.054 0.000 1.018 390 I CA -0.900 60.465 61.300 0.109 0.000 1.173 390 I CB 1.070 39.146 38.000 0.127 0.000 1.326 390 I HN 0.170 nan 8.210 nan 0.000 0.462 391 I N 7.419 128.013 120.570 0.040 0.000 2.664 391 I HA -0.006 4.062 4.170 -0.170 0.000 0.284 391 I C 1.572 177.701 176.117 0.020 0.000 1.154 391 I CA 0.572 61.886 61.300 0.024 0.000 1.402 391 I CB 0.070 38.082 38.000 0.019 0.000 1.395 391 I HN 0.476 nan 8.210 nan 0.000 0.545 392 R N 5.956 126.465 120.500 0.016 0.000 2.128 392 R HA 0.238 4.476 4.340 -0.170 0.000 0.211 392 R C 0.431 176.737 176.300 0.010 0.000 1.067 392 R CA 0.510 56.619 56.100 0.014 0.000 1.010 392 R CB -0.147 30.161 30.300 0.013 0.000 0.922 392 R HN 0.766 nan 8.270 nan 0.000 0.457 393 R N 0.000 120.505 120.500 0.008 0.000 2.786 393 R HA 0.000 4.238 4.340 -0.170 0.000 0.208 393 R CA 0.000 56.103 56.100 0.005 0.000 0.921 393 R CB 0.000 30.303 30.300 0.005 0.000 0.687 393 R HN 0.000 nan 8.270 nan 0.000 0.535