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 1fa0_1_A DATA FIRST_RESID 3 DATA SEQUENCE SQKVFGITGP VSTVGATAAE NKLNDSLIQE LKKEGSFETE QETANRVQVL DATA SEQUENCE KILQELAQRF VYEVSKKKNM SDGMARDAGG KIFTYGSYRL GVHGPGSDID DATA SEQUENCE TLVVVPKHVT REDFFTVFDS LLRERKELDE IAPVPDAFVP IIKIKFSGIS DATA SEQUENCE IDLICARLDQ PQVPLSLTLS DKNLLRNLDE KDLRALNGTR VTDEILELVP DATA SEQUENCE KPNVFRIALR AIKLWAQRRA VYANIFGFPG GVAWAMLVAR ICQLYPNACS DATA SEQUENCE AVILNRFFII LSEWNWPQPV ILKPIEDGPL QVRVWNPKIY AQDRSHRMPV DATA SEQUENCE ITPAYPSMCA THNITESTKK VILQEFVRGV QITNDIFSNK KSWANLFEKN DATA SEQUENCE DFFFRYKFYL EITAYTRGSD EQHLKWSGLV ESKVRLLVMK LEVLAGIKIA DATA SEQUENCE HPFTKPFESS YCCPTEDDYE MIQDKXXXXX XXXXXXXLKL VTDENKEEES DATA SEQUENCE IKDAPKAYLS TMYIGLDFNI ENKKEKVDIH IPCTEFVNLC RSFNEDYGDH DATA SEQUENCE KVFNLALRFV KGYDLPDEVF D VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.617 174.600 0.029 0.000 1.055 3 S CA 0.000 58.192 58.200 -0.014 0.000 1.107 3 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 4 Q N 1.085 120.894 119.800 0.015 0.000 7.950 4 Q HA -0.041 4.299 4.340 -0.000 0.000 0.369 4 Q C 0.728 176.779 176.000 0.085 0.000 0.943 4 Q CA 1.556 57.445 55.803 0.144 0.000 0.540 4 Q CB -1.033 27.777 28.738 0.121 0.000 0.157 4 Q HN 0.408 nan 8.270 nan 0.000 0.899 5 K N 0.954 121.345 120.400 -0.014 0.000 2.555 5 K HA 0.155 4.475 4.320 -0.000 0.000 0.193 5 K C 1.007 177.537 176.600 -0.116 0.000 1.032 5 K CA 1.137 57.407 56.287 -0.027 0.000 1.004 5 K CB -0.138 32.347 32.500 -0.026 0.000 0.804 5 K HN 0.208 nan 8.250 nan 0.000 0.496 6 V N 1.194 120.932 119.914 -0.295 0.000 3.510 6 V HA -0.026 4.094 4.120 -0.000 0.000 0.270 6 V C 0.458 176.214 176.094 -0.563 0.000 1.201 6 V CA 0.772 62.799 62.300 -0.455 0.000 1.166 6 V CB -0.859 30.613 31.823 -0.583 0.000 0.825 6 V HN 0.174 nan 8.190 nan 0.000 0.484 7 F N 0.178 120.128 119.950 -0.001 0.000 2.654 7 F HA 0.594 5.121 4.527 -0.000 0.000 0.303 7 F C 1.382 177.182 175.800 0.001 0.000 1.099 7 F CA -0.010 57.989 58.000 -0.002 0.000 1.270 7 F CB -0.255 38.738 39.000 -0.012 0.000 1.024 7 F HN 0.157 nan 8.300 nan 0.000 0.548 8 G N 1.645 110.505 108.800 0.100 0.000 2.860 8 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.553 8 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.553 8 G C 0.807 175.759 174.900 0.087 0.000 1.439 8 G CA -0.285 44.865 45.100 0.084 0.000 0.879 8 G HN 0.589 nan 8.290 nan 0.000 0.545 9 I N -2.048 118.565 120.570 0.072 0.000 3.241 9 I HA 0.163 4.333 4.170 -0.000 0.000 0.280 9 I C 1.627 177.770 176.117 0.045 0.000 1.320 9 I CA 1.733 63.069 61.300 0.059 0.000 1.413 9 I CB -0.462 37.574 38.000 0.060 0.000 1.060 9 I HN 0.738 nan 8.210 nan 0.000 0.500 10 T N -2.268 112.313 114.554 0.044 0.000 3.111 10 T HA 0.572 4.921 4.350 -0.000 0.000 0.284 10 T C 0.850 175.552 174.700 0.003 0.000 0.983 10 T CA 0.109 62.215 62.100 0.010 0.000 0.900 10 T CB 0.086 68.947 68.868 -0.012 0.000 1.132 10 T HN 0.800 nan 8.240 nan 0.000 0.531 11 G N 2.936 111.760 108.800 0.040 0.000 2.846 11 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.660 11 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.660 11 G C -2.846 172.051 174.900 -0.005 0.000 1.464 11 G CA -0.614 44.501 45.100 0.024 0.000 0.891 11 G HN 0.443 nan 8.290 nan 0.000 0.552 12 P HA 0.307 nan 4.420 nan 0.000 0.272 12 P C 0.941 178.128 177.300 -0.188 0.000 1.240 12 P CA -0.184 62.852 63.100 -0.106 0.000 0.791 12 P CB 1.311 32.925 31.700 -0.143 0.000 0.978 13 V N -0.012 119.708 119.914 -0.324 0.000 2.685 13 V HA 0.027 4.147 4.120 -0.000 0.000 0.244 13 V C 1.245 177.164 176.094 -0.291 0.000 1.054 13 V CA 1.711 63.804 62.300 -0.347 0.000 1.076 13 V CB 0.152 31.637 31.823 -0.564 0.000 0.725 13 V HN 0.809 nan 8.190 nan 0.000 0.467 14 S N -1.462 114.038 115.700 -0.333 0.000 2.535 14 S HA 0.295 4.765 4.470 -0.000 0.000 0.272 14 S C 0.471 175.018 174.600 -0.089 0.000 1.149 14 S CA 0.192 58.299 58.200 -0.155 0.000 0.888 14 S CB 1.962 65.129 63.200 -0.055 0.000 1.110 14 S HN 0.399 nan 8.310 nan 0.000 0.463 15 T N 0.713 115.233 114.554 -0.057 0.000 3.086 15 T HA 0.271 4.621 4.350 -0.000 0.000 0.250 15 T C 0.651 175.365 174.700 0.023 0.000 1.074 15 T CA 0.074 62.159 62.100 -0.025 0.000 0.988 15 T CB -0.245 68.581 68.868 -0.069 0.000 0.988 15 T HN 0.464 nan 8.240 nan 0.000 0.530 16 V N 2.517 122.449 119.914 0.031 0.000 2.814 16 V HA 0.377 4.497 4.120 -0.000 0.000 0.307 16 V C 1.568 177.701 176.094 0.065 0.000 1.089 16 V CA 0.233 62.559 62.300 0.043 0.000 1.212 16 V CB -0.024 31.825 31.823 0.044 0.000 0.912 16 V HN 0.642 nan 8.190 nan 0.000 0.497 17 G N 2.786 111.617 108.800 0.053 0.000 2.621 17 G HA2 0.537 4.497 3.960 -0.000 0.000 0.271 17 G HA3 0.537 4.497 3.960 -0.000 0.000 0.271 17 G C -0.089 174.846 174.900 0.058 0.000 1.236 17 G CA -0.106 45.029 45.100 0.059 0.000 0.958 17 G HN 1.203 nan 8.290 nan 0.000 0.512 18 A N 0.021 122.878 122.820 0.060 0.000 2.301 18 A HA 0.626 4.946 4.320 -0.000 0.000 0.298 18 A C 0.869 178.485 177.584 0.052 0.000 1.185 18 A CA 0.108 52.181 52.037 0.059 0.000 0.830 18 A CB 0.108 19.151 19.000 0.072 0.000 1.112 18 A HN 1.276 nan 8.150 nan 0.000 0.508 19 T N -0.032 114.550 114.554 0.047 0.000 2.898 19 T HA 0.420 4.770 4.350 -0.000 0.000 0.301 19 T C 1.375 176.110 174.700 0.058 0.000 1.049 19 T CA 0.020 62.147 62.100 0.045 0.000 1.095 19 T CB 1.103 69.993 68.868 0.036 0.000 0.976 19 T HN 1.268 nan 8.240 nan 0.000 0.539 20 A N 2.137 124.987 122.820 0.051 0.000 1.986 20 A HA 0.053 4.373 4.320 -0.000 0.000 0.220 20 A C 2.620 180.245 177.584 0.069 0.000 1.171 20 A CA 2.034 54.103 52.037 0.054 0.000 0.640 20 A CB -1.478 17.548 19.000 0.042 0.000 0.811 20 A HN 1.287 nan 8.150 nan 0.000 0.451 21 A N -0.381 122.483 122.820 0.074 0.000 1.898 21 A HA -0.124 4.195 4.320 -0.000 0.000 0.216 21 A C 1.895 179.566 177.584 0.144 0.000 1.181 21 A CA 1.501 53.595 52.037 0.095 0.000 0.620 21 A CB -0.454 18.600 19.000 0.089 0.000 0.819 21 A HN 0.630 nan 8.150 nan 0.000 0.442 22 E N -0.065 120.227 120.200 0.153 0.000 2.153 22 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 22 E C 1.715 178.435 176.600 0.200 0.000 0.988 22 E CA 1.163 57.698 56.400 0.224 0.000 0.811 22 E CB -0.258 29.533 29.700 0.152 0.000 0.746 22 E HN 0.723 nan 8.360 nan 0.000 0.466 23 N N 0.006 118.786 118.700 0.133 0.000 2.331 23 N HA -0.139 4.601 4.740 -0.000 0.000 0.180 23 N C 2.067 177.641 175.510 0.108 0.000 1.019 23 N CA 1.078 54.192 53.050 0.107 0.000 0.881 23 N CB -0.025 38.507 38.487 0.076 0.000 0.972 23 N HN 0.075 nan 8.380 nan 0.000 0.435 24 K N 1.558 122.025 120.400 0.113 0.000 2.025 24 K HA -0.028 4.292 4.320 -0.000 0.000 0.207 24 K C 1.818 178.501 176.600 0.139 0.000 1.049 24 K CA 0.803 57.151 56.287 0.103 0.000 0.933 24 K CB -1.151 31.402 32.500 0.088 0.000 0.714 24 K HN 0.124 nan 8.250 nan 0.000 0.438 25 L N 1.019 122.354 121.223 0.186 0.000 2.141 25 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 25 L C 2.706 179.773 176.870 0.328 0.000 1.094 25 L CA 1.130 56.132 54.840 0.270 0.000 0.763 25 L CB -0.282 41.907 42.059 0.218 0.000 0.908 25 L HN 0.579 nan 8.230 nan 0.000 0.437 26 N N 0.068 118.890 118.700 0.204 0.000 2.216 26 N HA -0.201 4.539 4.740 -0.000 0.000 0.183 26 N C 1.375 176.896 175.510 0.019 0.000 1.017 26 N CA 1.234 54.334 53.050 0.082 0.000 0.861 26 N CB 0.091 38.627 38.487 0.082 0.000 0.986 26 N HN 0.289 nan 8.380 nan 0.000 0.428 27 D N 0.090 120.526 120.400 0.059 0.000 2.178 27 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 27 D C 1.972 178.297 176.300 0.043 0.000 0.974 27 D CA 1.012 55.035 54.000 0.037 0.000 0.841 27 D CB 0.045 40.871 40.800 0.044 0.000 0.953 27 D HN 0.424 nan 8.370 nan 0.000 0.478 28 S N 0.332 116.093 115.700 0.102 0.000 2.428 28 S HA -0.112 4.358 4.470 -0.000 0.000 0.230 28 S C 2.046 176.690 174.600 0.073 0.000 1.014 28 S CA 0.305 58.595 58.200 0.150 0.000 0.957 28 S CB -0.296 63.058 63.200 0.256 0.000 0.784 28 S HN 0.201 nan 8.310 nan 0.000 0.499 29 L N 1.684 122.789 121.223 -0.195 0.000 2.027 29 L HA 0.182 4.522 4.340 -0.000 0.000 0.206 29 L C 2.213 178.898 176.870 -0.308 0.000 1.074 29 L CA 1.598 55.951 54.840 -0.812 0.000 0.745 29 L CB -0.650 40.697 42.059 -1.186 0.000 0.898 29 L HN 0.319 nan 8.230 nan 0.000 0.433 30 I N -0.632 119.850 120.570 -0.147 0.000 2.361 30 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 30 I C 2.498 178.654 176.117 0.064 0.000 1.133 30 I CA 1.094 62.396 61.300 0.004 0.000 1.413 30 I CB -0.309 37.707 38.000 0.026 0.000 1.073 30 I HN 0.436 nan 8.210 nan 0.000 0.424 31 Q N 1.237 121.057 119.800 0.035 0.000 2.050 31 Q HA -0.267 4.072 4.340 -0.000 0.000 0.202 31 Q C 1.939 177.984 176.000 0.075 0.000 0.980 31 Q CA 1.943 57.782 55.803 0.060 0.000 0.840 31 Q CB -0.193 28.582 28.738 0.061 0.000 0.898 31 Q HN 0.368 nan 8.270 nan 0.000 0.424 32 E N -0.346 119.903 120.200 0.082 0.000 2.085 32 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 32 E C 1.858 178.490 176.600 0.053 0.000 0.994 32 E CA 1.352 57.825 56.400 0.122 0.000 0.801 32 E CB -0.401 29.448 29.700 0.248 0.000 0.743 32 E HN 0.453 nan 8.360 nan 0.000 0.453 33 L N -0.208 121.011 121.223 -0.007 0.000 2.079 33 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 33 L C 2.857 179.683 176.870 -0.073 0.000 1.081 33 L CA 2.037 56.788 54.840 -0.149 0.000 0.752 33 L CB -0.879 41.042 42.059 -0.230 0.000 0.896 33 L HN 0.228 nan 8.230 nan 0.000 0.433 34 K N 0.731 121.206 120.400 0.125 0.000 2.057 34 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 34 K C 2.103 178.743 176.600 0.067 0.000 1.049 34 K CA 1.819 58.219 56.287 0.189 0.000 0.931 34 K CB -0.702 31.902 32.500 0.173 0.000 0.714 34 K HN 0.323 nan 8.250 nan 0.000 0.440 35 K N 0.288 120.715 120.400 0.045 0.000 2.152 35 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 35 K C 1.408 178.005 176.600 -0.004 0.000 1.048 35 K CA 1.433 57.737 56.287 0.027 0.000 0.933 35 K CB 0.109 32.635 32.500 0.044 0.000 0.721 35 K HN 0.405 nan 8.250 nan 0.000 0.447 36 E N -0.300 119.875 120.200 -0.042 0.000 2.494 36 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 36 E C 0.570 177.103 176.600 -0.113 0.000 1.074 36 E CA 0.661 57.005 56.400 -0.094 0.000 0.867 36 E CB 0.367 29.960 29.700 -0.177 0.000 0.924 36 E HN 0.562 nan 8.360 nan 0.000 0.502 37 G N 2.177 110.933 108.800 -0.074 0.000 2.305 37 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.287 37 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.287 37 G C 1.002 175.817 174.900 -0.142 0.000 1.036 37 G CA 0.852 45.913 45.100 -0.065 0.000 0.887 37 G HN 0.350 nan 8.290 nan 0.000 0.505 38 S N -1.269 114.273 115.700 -0.263 0.000 2.368 38 S HA 0.221 4.691 4.470 -0.000 0.000 0.224 38 S C 1.268 175.599 174.600 -0.447 0.000 1.029 38 S CA 1.010 58.936 58.200 -0.456 0.000 0.988 38 S CB -0.141 62.611 63.200 -0.747 0.000 0.838 38 S HN 0.454 nan 8.310 nan 0.000 0.462 39 F N 2.011 121.878 119.950 -0.139 0.000 2.362 39 F HA 0.446 4.973 4.527 -0.000 0.000 0.311 39 F C 0.841 176.562 175.800 -0.132 0.000 1.161 39 F CA -0.946 56.964 58.000 -0.150 0.000 1.085 39 F CB 0.514 39.447 39.000 -0.113 0.000 1.311 39 F HN 0.239 nan 8.300 nan 0.000 0.524 40 E N -1.434 118.820 120.200 0.091 0.000 2.316 40 E HA 0.509 4.859 4.350 -0.000 0.000 0.258 40 E C -1.155 175.471 176.600 0.043 0.000 0.952 40 E CA -1.146 55.272 56.400 0.031 0.000 0.818 40 E CB 1.361 31.060 29.700 -0.002 0.000 1.260 40 E HN 0.547 nan 8.360 nan 0.000 0.416 41 T N -1.850 112.722 114.554 0.030 0.000 2.910 41 T HA 0.139 4.489 4.350 -0.000 0.000 0.293 41 T C 0.781 175.498 174.700 0.028 0.000 1.015 41 T CA -0.517 61.595 62.100 0.021 0.000 1.094 41 T CB 1.134 70.010 68.868 0.014 0.000 0.968 41 T HN 0.587 nan 8.240 nan 0.000 0.521 42 E N 0.412 120.621 120.200 0.016 0.000 2.233 42 E HA -0.248 4.101 4.350 -0.000 0.000 0.199 42 E C 2.092 178.712 176.600 0.034 0.000 1.004 42 E CA 1.054 57.468 56.400 0.024 0.000 0.819 42 E CB -0.004 29.701 29.700 0.008 0.000 0.738 42 E HN 0.543 nan 8.360 nan 0.000 0.478 43 Q N 0.694 120.510 119.800 0.026 0.000 2.046 43 Q HA -0.155 4.185 4.340 -0.000 0.000 0.200 43 Q C 1.815 177.836 176.000 0.034 0.000 0.975 43 Q CA 1.412 57.230 55.803 0.025 0.000 0.836 43 Q CB 0.019 28.767 28.738 0.016 0.000 0.896 43 Q HN 0.429 nan 8.270 nan 0.000 0.428 44 E N -0.758 119.465 120.200 0.038 0.000 2.153 44 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 44 E C 1.935 178.580 176.600 0.074 0.000 0.988 44 E CA 1.341 57.769 56.400 0.046 0.000 0.811 44 E CB -0.039 29.686 29.700 0.042 0.000 0.746 44 E HN 0.247 nan 8.360 nan 0.000 0.466 45 T N 0.809 115.426 114.554 0.105 0.000 2.737 45 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 45 T C 2.017 176.785 174.700 0.113 0.000 1.038 45 T CA 1.215 63.416 62.100 0.167 0.000 1.144 45 T CB -0.195 68.782 68.868 0.182 0.000 0.866 45 T HN 0.273 nan 8.240 nan 0.000 0.434 46 A N 2.241 125.107 122.820 0.077 0.000 2.019 46 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 46 A C 2.125 179.734 177.584 0.042 0.000 1.164 46 A CA 1.337 53.408 52.037 0.057 0.000 0.644 46 A CB -0.469 18.555 19.000 0.041 0.000 0.805 46 A HN 0.419 nan 8.150 nan 0.000 0.449 47 N N -0.298 118.422 118.700 0.034 0.000 2.396 47 N HA -0.063 4.677 4.740 -0.000 0.000 0.180 47 N C 1.734 177.247 175.510 0.005 0.000 1.028 47 N CA 0.929 53.992 53.050 0.022 0.000 0.893 47 N CB -0.300 38.198 38.487 0.019 0.000 0.967 47 N HN 0.560 nan 8.380 nan 0.000 0.440 48 R N 0.306 120.791 120.500 -0.024 0.000 2.075 48 R HA 0.094 4.434 4.340 -0.000 0.000 0.226 48 R C 2.136 178.386 176.300 -0.083 0.000 1.114 48 R CA 0.502 56.524 56.100 -0.130 0.000 0.972 48 R CB -0.350 29.758 30.300 -0.319 0.000 0.869 48 R HN -0.041 nan 8.270 nan 0.000 0.437 49 V N 1.486 121.405 119.914 0.008 0.000 2.324 49 V HA -0.312 3.808 4.120 -0.000 0.000 0.250 49 V C 2.423 178.532 176.094 0.026 0.000 1.060 49 V CA 2.124 64.453 62.300 0.049 0.000 1.042 49 V CB -0.523 31.344 31.823 0.073 0.000 0.650 49 V HN 0.299 nan 8.190 nan 0.000 0.450 50 Q N 0.102 119.918 119.800 0.027 0.000 2.084 50 Q HA -0.144 4.195 4.340 -0.000 0.000 0.202 50 Q C 2.040 178.069 176.000 0.048 0.000 0.978 50 Q CA 2.241 58.066 55.803 0.037 0.000 0.844 50 Q CB -0.608 28.155 28.738 0.042 0.000 0.898 50 Q HN 0.454 nan 8.270 nan 0.000 0.426 51 V N 0.568 120.511 119.914 0.047 0.000 2.295 51 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 51 V C 2.386 178.461 176.094 -0.032 0.000 1.049 51 V CA 1.806 64.145 62.300 0.066 0.000 1.024 51 V CB -0.654 31.211 31.823 0.070 0.000 0.648 51 V HN 0.371 nan 8.190 nan 0.000 0.447 52 L N -0.106 121.090 121.223 -0.045 0.000 2.042 52 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 52 L C 2.630 179.484 176.870 -0.026 0.000 1.076 52 L CA 2.095 56.907 54.840 -0.046 0.000 0.749 52 L CB -0.652 41.393 42.059 -0.022 0.000 0.893 52 L HN 0.340 nan 8.230 nan 0.000 0.432 53 K N 0.848 121.246 120.400 -0.003 0.000 2.044 53 K HA -0.227 4.092 4.320 -0.000 0.000 0.210 53 K C 2.068 178.672 176.600 0.007 0.000 1.049 53 K CA 1.708 57.998 56.287 0.004 0.000 0.927 53 K CB -0.159 32.351 32.500 0.017 0.000 0.713 53 K HN 0.250 nan 8.250 nan 0.000 0.443 54 I N 1.055 121.635 120.570 0.017 0.000 2.252 54 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 54 I C 2.269 178.378 176.117 -0.012 0.000 1.102 54 I CA 1.003 62.320 61.300 0.029 0.000 1.385 54 I CB -0.214 37.846 38.000 0.101 0.000 1.064 54 I HN 0.190 nan 8.210 nan 0.000 0.414 55 L N 0.241 121.421 121.223 -0.072 0.000 2.079 55 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 55 L C 2.664 179.557 176.870 0.038 0.000 1.081 55 L CA 1.284 56.096 54.840 -0.046 0.000 0.752 55 L CB -0.547 41.462 42.059 -0.084 0.000 0.896 55 L HN 0.292 nan 8.230 nan 0.000 0.433 56 Q N 0.689 120.492 119.800 0.005 0.000 2.020 56 Q HA -0.244 4.095 4.340 -0.000 0.000 0.202 56 Q C 1.975 177.996 176.000 0.035 0.000 0.982 56 Q CA 1.882 57.685 55.803 -0.000 0.000 0.838 56 Q CB -0.190 28.530 28.738 -0.029 0.000 0.899 56 Q HN 0.423 nan 8.270 nan 0.000 0.423 57 E N -0.335 119.885 120.200 0.033 0.000 2.147 57 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 57 E C 1.962 178.614 176.600 0.087 0.000 1.005 57 E CA 1.482 57.908 56.400 0.044 0.000 0.810 57 E CB -0.209 29.512 29.700 0.035 0.000 0.736 57 E HN 0.398 nan 8.360 nan 0.000 0.460 58 L N -0.089 121.207 121.223 0.122 0.000 2.156 58 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 58 L C 2.491 179.583 176.870 0.371 0.000 1.095 58 L CA 0.606 55.574 54.840 0.214 0.000 0.770 58 L CB -0.329 41.843 42.059 0.187 0.000 0.914 58 L HN 0.131 nan 8.230 nan 0.000 0.439 59 A N -0.116 122.876 122.820 0.288 0.000 1.873 59 A HA -0.212 4.108 4.320 -0.000 0.000 0.215 59 A C 2.251 179.957 177.584 0.203 0.000 1.186 59 A CA 1.305 53.486 52.037 0.240 0.000 0.616 59 A CB -0.383 18.659 19.000 0.069 0.000 0.823 59 A HN 0.437 nan 8.150 nan 0.000 0.442 60 Q N -1.037 118.840 119.800 0.128 0.000 2.020 60 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 60 Q C 2.351 178.448 176.000 0.161 0.000 0.982 60 Q CA 1.697 57.559 55.803 0.098 0.000 0.838 60 Q CB -0.293 28.479 28.738 0.057 0.000 0.899 60 Q HN 0.552 nan 8.270 nan 0.000 0.423 61 R N 0.854 121.459 120.500 0.175 0.000 2.103 61 R HA -0.203 4.137 4.340 -0.000 0.000 0.242 61 R C 1.936 178.434 176.300 0.331 0.000 1.142 61 R CA 1.522 57.746 56.100 0.208 0.000 0.960 61 R CB -0.784 29.613 30.300 0.162 0.000 0.858 61 R HN 0.304 nan 8.270 nan 0.000 0.439 62 F N 0.213 120.279 119.950 0.193 0.000 2.046 62 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 62 F C 1.864 177.759 175.800 0.157 0.000 1.123 62 F CA 1.812 59.936 58.000 0.206 0.000 1.199 62 F CB -1.008 38.161 39.000 0.282 0.000 0.972 62 F HN -0.094 nan 8.300 nan 0.000 0.474 63 V N 0.223 120.010 119.914 -0.211 0.000 2.255 63 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 63 V C 2.284 178.354 176.094 -0.040 0.000 1.051 63 V CA 2.302 64.407 62.300 -0.324 0.000 1.018 63 V CB -1.486 30.210 31.823 -0.212 0.000 0.641 63 V HN 0.578 nan 8.190 nan 0.000 0.445 64 Y N 1.159 121.449 120.300 -0.016 0.000 2.114 64 Y HA -0.297 4.253 4.550 -0.000 0.000 0.282 64 Y C 2.635 178.562 175.900 0.046 0.000 1.165 64 Y CA 2.359 60.475 58.100 0.028 0.000 1.148 64 Y CB -0.222 38.263 38.460 0.041 0.000 0.972 64 Y HN 0.336 nan 8.280 nan 0.000 0.504 65 E N -0.744 119.594 120.200 0.230 0.000 2.077 65 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 65 E C 2.226 178.851 176.600 0.042 0.000 0.989 65 E CA 1.671 58.162 56.400 0.151 0.000 0.800 65 E CB -0.229 29.619 29.700 0.247 0.000 0.746 65 E HN 0.402 nan 8.360 nan 0.000 0.452 66 V N 1.071 121.016 119.914 0.053 0.000 2.358 66 V HA -0.217 3.902 4.120 -0.000 0.000 0.246 66 V C 2.297 178.402 176.094 0.019 0.000 1.047 66 V CA 1.677 64.004 62.300 0.044 0.000 1.035 66 V CB -0.428 31.395 31.823 -0.000 0.000 0.658 66 V HN 0.171 nan 8.190 nan 0.000 0.452 67 S N -0.389 115.305 115.700 -0.010 0.000 2.359 67 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 67 S C 2.095 176.595 174.600 -0.167 0.000 1.035 67 S CA 1.271 59.441 58.200 -0.050 0.000 1.018 67 S CB -0.315 62.847 63.200 -0.062 0.000 0.876 67 S HN 0.422 nan 8.310 nan 0.000 0.448 68 K N 1.586 121.830 120.400 -0.261 0.000 2.032 68 K HA -0.021 4.299 4.320 -0.000 0.000 0.209 68 K C 1.738 178.270 176.600 -0.113 0.000 1.048 68 K CA 1.167 57.310 56.287 -0.240 0.000 0.927 68 K CB -0.385 31.936 32.500 -0.297 0.000 0.712 68 K HN 0.358 nan 8.250 nan 0.000 0.441 69 K N 0.757 121.120 120.400 -0.063 0.000 2.585 69 K HA -0.073 4.247 4.320 -0.000 0.000 0.194 69 K C 1.017 177.603 176.600 -0.023 0.000 1.037 69 K CA 0.587 56.862 56.287 -0.019 0.000 0.964 69 K CB 0.162 32.673 32.500 0.019 0.000 0.787 69 K HN -0.046 nan 8.250 nan 0.000 0.488 70 K N 0.801 121.170 120.400 -0.052 0.000 2.440 70 K HA 0.091 4.411 4.320 -0.000 0.000 0.206 70 K C -0.352 176.198 176.600 -0.083 0.000 1.025 70 K CA -0.097 56.153 56.287 -0.062 0.000 1.135 70 K CB 0.300 32.747 32.500 -0.089 0.000 0.856 70 K HN 0.121 nan 8.250 nan 0.000 0.502 71 N N 0.991 119.646 118.700 -0.075 0.000 2.738 71 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 71 N C -0.298 175.157 175.510 -0.091 0.000 1.047 71 N CA 0.715 53.723 53.050 -0.070 0.000 0.707 71 N CB -1.249 37.208 38.487 -0.050 0.000 0.937 71 N HN 0.372 nan 8.380 nan 0.000 0.545 72 M N -0.103 119.422 119.600 -0.125 0.000 2.444 72 M HA 0.246 4.726 4.480 -0.000 0.000 0.319 72 M C 0.941 177.176 176.300 -0.109 0.000 1.183 72 M CA -0.193 55.025 55.300 -0.137 0.000 1.032 72 M CB 1.410 33.894 32.600 -0.194 0.000 1.569 72 M HN 0.176 nan 8.290 nan 0.000 0.468 73 S N 0.865 116.517 115.700 -0.079 0.000 2.572 73 S HA -0.053 4.416 4.470 -0.000 0.000 0.267 73 S C 0.569 175.147 174.600 -0.035 0.000 1.361 73 S CA 0.146 58.320 58.200 -0.043 0.000 1.009 73 S CB 0.560 63.746 63.200 -0.024 0.000 0.888 73 S HN 0.860 nan 8.310 nan 0.000 0.553 74 D N 1.661 122.069 120.400 0.014 0.000 2.183 74 D HA 0.097 4.737 4.640 -0.000 0.000 0.203 74 D C 1.846 178.223 176.300 0.129 0.000 0.969 74 D CA 1.409 55.462 54.000 0.088 0.000 0.842 74 D CB -0.450 40.411 40.800 0.103 0.000 0.957 74 D HN 0.641 nan 8.370 nan 0.000 0.484 75 G N -0.539 108.303 108.800 0.069 0.000 2.453 75 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.215 75 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.215 75 G C 1.540 176.473 174.900 0.055 0.000 1.147 75 G CA 0.041 45.181 45.100 0.066 0.000 0.802 75 G HN 0.192 nan 8.290 nan 0.000 0.535 76 M N 0.652 120.263 119.600 0.019 0.000 2.236 76 M HA 0.116 4.596 4.480 -0.000 0.000 0.266 76 M C 2.990 179.291 176.300 0.000 0.000 1.070 76 M CA 1.078 56.377 55.300 -0.002 0.000 1.137 76 M CB -0.025 32.549 32.600 -0.043 0.000 1.378 76 M HN 0.306 nan 8.290 nan 0.000 0.426 77 A N 0.153 122.947 122.820 -0.042 0.000 1.978 77 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 77 A C 2.096 179.772 177.584 0.153 0.000 1.170 77 A CA 1.753 53.724 52.037 -0.110 0.000 0.636 77 A CB -0.600 18.056 19.000 -0.573 0.000 0.810 77 A HN 0.415 nan 8.150 nan 0.000 0.448 78 R N -0.598 120.067 120.500 0.274 0.000 2.073 78 R HA -0.087 4.253 4.340 -0.000 0.000 0.229 78 R C 1.178 177.561 176.300 0.137 0.000 1.120 78 R CA 1.453 57.719 56.100 0.278 0.000 0.967 78 R CB -0.149 30.271 30.300 0.200 0.000 0.862 78 R HN 0.389 nan 8.270 nan 0.000 0.436 79 D N 0.022 120.478 120.400 0.093 0.000 2.312 79 D HA -0.041 4.599 4.640 -0.000 0.000 0.211 79 D C 1.423 177.758 176.300 0.059 0.000 0.964 79 D CA 0.952 54.988 54.000 0.060 0.000 0.877 79 D CB 0.024 40.849 40.800 0.041 0.000 0.924 79 D HN 0.312 nan 8.370 nan 0.000 0.515 80 A N 0.269 123.135 122.820 0.076 0.000 2.019 80 A HA 0.215 4.535 4.320 -0.000 0.000 0.219 80 A C 1.752 179.363 177.584 0.046 0.000 1.164 80 A CA 1.768 53.860 52.037 0.092 0.000 0.644 80 A CB -0.559 18.542 19.000 0.168 0.000 0.805 80 A HN 0.335 nan 8.150 nan 0.000 0.449 81 G N -1.429 107.401 108.800 0.050 0.000 2.543 81 G HA2 0.302 4.262 3.960 -0.000 0.000 0.286 81 G HA3 0.302 4.262 3.960 -0.000 0.000 0.286 81 G C 1.119 176.018 174.900 -0.001 0.000 1.153 81 G CA 0.567 45.682 45.100 0.026 0.000 0.968 81 G HN 2.623 nan 8.290 nan 0.000 0.544 82 G N -0.966 107.820 108.800 -0.023 0.000 3.014 82 G HA2 0.527 4.486 3.960 -0.000 0.000 0.683 82 G HA3 0.527 4.486 3.960 -0.000 0.000 0.683 82 G C -0.856 174.023 174.900 -0.035 0.000 1.271 82 G CA 0.717 45.791 45.100 -0.044 0.000 0.843 82 G HN 1.375 nan 8.290 nan 0.000 0.612 83 K N 1.125 121.498 120.400 -0.045 0.000 2.508 83 K HA 0.761 5.081 4.320 -0.000 0.000 0.260 83 K C -0.728 175.769 176.600 -0.172 0.000 0.949 83 K CA -1.223 54.984 56.287 -0.134 0.000 0.834 83 K CB 1.478 33.858 32.500 -0.200 0.000 1.365 83 K HN 0.345 nan 8.250 nan 0.000 0.437 84 I N 3.470 123.867 120.570 -0.288 0.000 2.377 84 I HA 0.408 4.578 4.170 -0.000 0.000 0.293 84 I C -0.741 175.130 176.117 -0.410 0.000 0.987 84 I CA -0.461 60.714 61.300 -0.209 0.000 1.185 84 I CB 0.788 38.723 38.000 -0.107 0.000 1.341 84 I HN 0.542 nan 8.210 nan 0.000 0.455 85 F N 3.000 122.972 119.950 0.037 0.000 2.563 85 F HA 0.547 5.074 4.527 -0.000 0.000 0.316 85 F C 0.599 176.470 175.800 0.119 0.000 1.076 85 F CA -0.603 57.436 58.000 0.065 0.000 0.921 85 F CB 2.306 41.338 39.000 0.052 0.000 1.209 85 F HN 0.451 nan 8.300 nan 0.000 0.462 86 T N -0.486 114.265 114.554 0.329 0.000 2.942 86 T HA 0.826 5.176 4.350 -0.000 0.000 0.289 86 T C -1.206 173.690 174.700 0.327 0.000 1.044 86 T CA -0.563 61.688 62.100 0.251 0.000 1.023 86 T CB 2.079 71.061 68.868 0.190 0.000 1.123 86 T HN 0.678 nan 8.240 nan 0.000 0.512 87 Y N -1.915 118.453 120.300 0.113 0.000 2.689 87 Y HA 0.720 5.270 4.550 -0.000 0.000 0.333 87 Y C 0.176 176.133 175.900 0.095 0.000 1.208 87 Y CA -0.539 57.611 58.100 0.083 0.000 1.055 87 Y CB 0.633 39.127 38.460 0.057 0.000 1.304 87 Y HN 1.438 nan 8.280 nan 0.000 0.455 88 G N 0.576 109.485 108.800 0.181 0.000 2.512 88 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.210 88 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.210 88 G C 0.611 175.567 174.900 0.095 0.000 1.295 88 G CA 0.285 45.435 45.100 0.084 0.000 0.934 88 G HN 1.517 nan 8.290 nan 0.000 0.554 89 S N -1.445 114.312 115.700 0.094 0.000 2.359 89 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 89 S C 2.039 176.722 174.600 0.138 0.000 1.035 89 S CA 2.544 60.825 58.200 0.135 0.000 1.018 89 S CB -0.443 62.848 63.200 0.151 0.000 0.876 89 S HN 1.109 nan 8.310 nan 0.000 0.448 90 Y N 2.253 122.513 120.300 -0.067 0.000 2.242 90 Y HA 0.030 4.580 4.550 -0.000 0.000 0.291 90 Y C 2.413 178.235 175.900 -0.131 0.000 1.137 90 Y CA 1.949 59.892 58.100 -0.260 0.000 1.181 90 Y CB -0.516 37.743 38.460 -0.336 0.000 0.989 90 Y HN 0.246 nan 8.280 nan 0.000 0.527 91 R N 0.604 121.049 120.500 -0.091 0.000 2.081 91 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 91 R C 1.891 178.152 176.300 -0.065 0.000 1.131 91 R CA 1.942 57.987 56.100 -0.093 0.000 0.960 91 R CB -0.906 29.431 30.300 0.062 0.000 0.856 91 R HN 0.495 nan 8.270 nan 0.000 0.436 92 L N -0.823 120.417 121.223 0.029 0.000 2.395 92 L HA 0.197 4.537 4.340 -0.000 0.000 0.218 92 L C 1.001 177.930 176.870 0.098 0.000 1.130 92 L CA 0.638 55.550 54.840 0.120 0.000 0.826 92 L CB -0.317 41.867 42.059 0.208 0.000 0.941 92 L HN 0.605 nan 8.230 nan 0.000 0.451 93 G N 0.835 109.648 108.800 0.021 0.000 2.212 93 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.255 93 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.255 93 G C 0.382 175.395 174.900 0.188 0.000 1.062 93 G CA 0.251 45.406 45.100 0.093 0.000 0.815 93 G HN 0.382 nan 8.290 nan 0.000 0.497 94 V N -2.535 117.503 119.914 0.207 0.000 3.070 94 V HA 0.441 4.561 4.120 -0.000 0.000 0.355 94 V C 0.777 176.928 176.094 0.096 0.000 1.400 94 V CA -0.016 62.329 62.300 0.074 0.000 1.170 94 V CB -0.710 31.099 31.823 -0.023 0.000 1.169 94 V HN 0.861 nan 8.190 nan 0.000 0.554 95 H N 0.279 119.373 119.070 0.041 0.000 2.597 95 H HA 0.812 5.368 4.556 -0.000 0.000 0.370 95 H C 0.213 175.551 175.328 0.016 0.000 1.281 95 H CA -0.121 55.963 56.048 0.059 0.000 1.422 95 H CB 1.447 31.311 29.762 0.171 0.000 1.524 95 H HN 0.405 nan 8.280 nan 0.000 0.607 96 G N -0.744 108.026 108.800 -0.050 0.000 2.788 96 G HA2 0.366 4.326 3.960 -0.000 0.000 0.293 96 G HA3 0.366 4.326 3.960 -0.000 0.000 0.293 96 G C -2.038 172.820 174.900 -0.069 0.000 1.305 96 G CA -1.876 43.138 45.100 -0.144 0.000 1.005 96 G HN 0.360 nan 8.290 nan 0.000 0.496 97 P HA -0.083 nan 4.420 nan 0.000 0.216 97 P C 1.556 178.855 177.300 -0.001 0.000 1.154 97 P CA 1.952 65.039 63.100 -0.023 0.000 0.865 97 P CB 0.256 31.938 31.700 -0.030 0.000 0.789 98 G N -2.000 106.793 108.800 -0.012 0.000 3.434 98 G HA2 0.092 4.052 3.960 -0.000 0.000 0.258 98 G HA3 0.092 4.052 3.960 -0.000 0.000 0.258 98 G C 0.102 175.007 174.900 0.009 0.000 1.128 98 G CA 0.005 45.102 45.100 -0.004 0.000 0.792 98 G HN 0.150 nan 8.290 nan 0.000 0.539 99 S N 1.538 117.259 115.700 0.036 0.000 2.565 99 S HA 0.316 4.786 4.470 -0.000 0.000 0.276 99 S C 0.173 174.796 174.600 0.039 0.000 1.326 99 S CA -0.583 57.651 58.200 0.057 0.000 1.045 99 S CB 1.219 64.500 63.200 0.135 0.000 0.918 99 S HN 0.598 nan 8.310 nan 0.000 0.505 100 D N 0.820 121.229 120.400 0.015 0.000 2.423 100 D HA 0.286 4.926 4.640 -0.000 0.000 0.255 100 D C -0.377 175.890 176.300 -0.056 0.000 1.174 100 D CA -0.617 53.372 54.000 -0.017 0.000 1.008 100 D CB 0.428 41.221 40.800 -0.011 0.000 1.101 100 D HN 0.365 nan 8.370 nan 0.000 0.516 101 I N 0.346 120.854 120.570 -0.103 0.000 2.354 101 I HA 0.150 4.320 4.170 -0.000 0.000 0.286 101 I C -0.748 175.277 176.117 -0.153 0.000 1.007 101 I CA -0.828 60.378 61.300 -0.157 0.000 1.167 101 I CB 1.013 38.862 38.000 -0.252 0.000 1.320 101 I HN 0.143 nan 8.210 nan 0.000 0.458 102 D N 5.052 125.301 120.400 -0.251 0.000 2.339 102 D HA 0.258 4.898 4.640 -0.000 0.000 0.256 102 D C -0.454 175.594 176.300 -0.420 0.000 1.214 102 D CA 0.337 54.032 54.000 -0.508 0.000 0.877 102 D CB 0.897 41.035 40.800 -1.104 0.000 1.111 102 D HN 0.364 nan 8.370 nan 0.000 0.478 103 T N 2.471 116.962 114.554 -0.105 0.000 2.824 103 T HA 0.418 4.768 4.350 -0.000 0.000 0.282 103 T C -0.781 174.066 174.700 0.245 0.000 0.993 103 T CA -0.710 61.445 62.100 0.093 0.000 0.967 103 T CB 1.171 70.067 68.868 0.046 0.000 0.960 103 T HN 0.131 nan 8.240 nan 0.000 0.441 104 L N 4.317 125.719 121.223 0.299 0.000 2.295 104 L HA 0.748 5.088 4.340 -0.000 0.000 0.285 104 L C -1.032 175.914 176.870 0.126 0.000 1.035 104 L CA -0.516 54.446 54.840 0.203 0.000 0.806 104 L CB 1.314 43.492 42.059 0.198 0.000 1.214 104 L HN 0.457 nan 8.230 nan 0.000 0.426 105 V N 5.990 125.894 119.914 -0.016 0.000 2.357 105 V HA 0.451 4.571 4.120 -0.000 0.000 0.284 105 V C -0.332 175.727 176.094 -0.058 0.000 1.018 105 V CA -0.673 61.591 62.300 -0.061 0.000 0.841 105 V CB 1.586 33.290 31.823 -0.199 0.000 0.991 105 V HN 0.557 nan 8.190 nan 0.000 0.437 106 V N 6.253 126.192 119.914 0.042 0.000 2.427 106 V HA 0.668 4.788 4.120 -0.000 0.000 0.286 106 V C -0.000 176.068 176.094 -0.043 0.000 1.034 106 V CA -0.462 61.850 62.300 0.021 0.000 0.893 106 V CB 1.656 33.572 31.823 0.155 0.000 0.982 106 V HN 0.749 nan 8.190 nan 0.000 0.452 107 V N 3.235 123.086 119.914 -0.104 0.000 2.962 107 V HA 0.773 4.893 4.120 -0.000 0.000 0.313 107 V C -2.910 173.066 176.094 -0.197 0.000 1.099 107 V CA -2.789 59.401 62.300 -0.183 0.000 0.971 107 V CB 2.180 33.838 31.823 -0.276 0.000 1.028 107 V HN 0.633 nan 8.190 nan 0.000 0.430 108 P HA 0.245 nan 4.420 nan 0.000 0.271 108 P C 0.454 177.582 177.300 -0.288 0.000 1.244 108 P CA -0.248 62.703 63.100 -0.249 0.000 0.793 108 P CB 0.573 32.114 31.700 -0.266 0.000 0.984 109 K N 1.597 121.921 120.400 -0.127 0.000 2.077 109 K HA -0.260 4.060 4.320 -0.000 0.000 0.213 109 K C 1.796 178.362 176.600 -0.056 0.000 1.051 109 K CA 2.159 58.414 56.287 -0.053 0.000 0.929 109 K CB -0.973 31.547 32.500 0.034 0.000 0.715 109 K HN 0.607 nan 8.250 nan 0.000 0.451 110 H N -1.169 117.875 119.070 -0.044 0.000 2.559 110 H HA 0.079 4.634 4.556 -0.000 0.000 0.273 110 H C -0.204 175.098 175.328 -0.043 0.000 1.000 110 H CA 0.392 56.416 56.048 -0.040 0.000 1.195 110 H CB -0.613 29.121 29.762 -0.047 0.000 1.368 110 H HN -0.034 nan 8.280 nan 0.000 0.592 111 V N 3.794 123.511 119.914 -0.328 0.000 2.364 111 V HA 0.151 4.271 4.120 -0.000 0.000 0.272 111 V C 0.861 176.919 176.094 -0.060 0.000 1.036 111 V CA -0.240 61.925 62.300 -0.224 0.000 0.880 111 V CB 1.086 32.646 31.823 -0.437 0.000 0.991 111 V HN 0.543 nan 8.190 nan 0.000 0.460 112 T N 2.137 116.726 114.554 0.059 0.000 2.862 112 T HA 0.353 4.703 4.350 -0.000 0.000 0.276 112 T C 1.041 175.864 174.700 0.204 0.000 0.974 112 T CA -0.527 61.637 62.100 0.106 0.000 0.966 112 T CB 1.452 70.391 68.868 0.118 0.000 1.072 112 T HN 0.478 nan 8.240 nan 0.000 0.538 113 R N 0.053 120.674 120.500 0.202 0.000 2.115 113 R HA 0.018 4.358 4.340 -0.000 0.000 0.226 113 R C 2.876 179.470 176.300 0.491 0.000 1.100 113 R CA 1.444 57.732 56.100 0.313 0.000 0.980 113 R CB -0.873 29.598 30.300 0.285 0.000 0.875 113 R HN 0.926 nan 8.270 nan 0.000 0.445 114 E N 1.390 121.804 120.200 0.356 0.000 2.058 114 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 114 E C 1.533 178.338 176.600 0.342 0.000 0.997 114 E CA 1.725 58.326 56.400 0.335 0.000 0.801 114 E CB -0.764 29.053 29.700 0.195 0.000 0.746 114 E HN 0.371 nan 8.360 nan 0.000 0.450 115 D N -0.605 119.987 120.400 0.320 0.000 2.172 115 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 115 D C 1.692 178.225 176.300 0.389 0.000 0.999 115 D CA 1.409 55.634 54.000 0.375 0.000 0.856 115 D CB -0.556 40.492 40.800 0.414 0.000 0.934 115 D HN 0.471 nan 8.370 nan 0.000 0.453 116 F N 0.444 120.529 119.950 0.226 0.000 2.095 116 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 116 F C 1.958 177.611 175.800 -0.246 0.000 1.104 116 F CA 1.320 59.233 58.000 -0.145 0.000 1.232 116 F CB -0.533 38.338 39.000 -0.216 0.000 0.987 116 F HN -0.129 nan 8.300 nan 0.000 0.475 117 F N -0.462 119.441 119.950 -0.078 0.000 2.558 117 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 117 F C 2.168 177.882 175.800 -0.143 0.000 1.119 117 F CA 1.153 59.049 58.000 -0.174 0.000 1.451 117 F CB -0.947 38.050 39.000 -0.005 0.000 1.091 117 F HN -0.101 nan 8.300 nan 0.000 0.563 118 T N -0.449 114.158 114.554 0.089 0.000 3.139 118 T HA -0.033 4.317 4.350 -0.000 0.000 0.226 118 T C 2.199 176.882 174.700 -0.029 0.000 1.010 118 T CA 0.976 63.107 62.100 0.052 0.000 1.487 118 T CB -0.648 68.284 68.868 0.105 0.000 1.204 118 T HN -0.146 nan 8.240 nan 0.000 0.437 119 V N 1.690 121.620 119.914 0.028 0.000 2.231 119 V HA -0.176 3.943 4.120 -0.000 0.000 0.248 119 V C 2.185 178.190 176.094 -0.149 0.000 1.054 119 V CA 2.008 64.330 62.300 0.038 0.000 1.015 119 V CB -0.907 31.083 31.823 0.280 0.000 0.638 119 V HN 0.403 nan 8.190 nan 0.000 0.444 120 F N 1.534 121.051 119.950 -0.722 0.000 2.126 120 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 120 F C 2.341 177.817 175.800 -0.540 0.000 1.096 120 F CA 2.065 59.514 58.000 -0.919 0.000 1.255 120 F CB -0.612 37.444 39.000 -1.572 0.000 0.997 120 F HN 0.280 nan 8.300 nan 0.000 0.479 121 D N 0.099 120.140 120.400 -0.599 0.000 2.087 121 D HA -0.215 4.425 4.640 -0.000 0.000 0.192 121 D C 2.363 178.455 176.300 -0.346 0.000 0.993 121 D CA 2.049 55.758 54.000 -0.484 0.000 0.828 121 D CB -0.579 40.058 40.800 -0.271 0.000 0.968 121 D HN 0.447 nan 8.370 nan 0.000 0.448 122 S N 0.495 116.062 115.700 -0.222 0.000 2.387 122 S HA -0.129 4.341 4.470 -0.000 0.000 0.230 122 S C 2.412 176.922 174.600 -0.151 0.000 1.035 122 S CA 1.369 59.488 58.200 -0.135 0.000 1.014 122 S CB -0.720 62.441 63.200 -0.066 0.000 0.836 122 S HN 0.313 nan 8.310 nan 0.000 0.466 123 L N 0.242 121.343 121.223 -0.204 0.000 2.275 123 L HA -0.029 4.311 4.340 -0.000 0.000 0.215 123 L C 2.259 178.992 176.870 -0.228 0.000 1.119 123 L CA 0.442 55.181 54.840 -0.169 0.000 0.790 123 L CB -0.254 41.732 42.059 -0.122 0.000 0.919 123 L HN 0.418 nan 8.230 nan 0.000 0.443 124 L N -0.931 120.066 121.223 -0.376 0.000 2.095 124 L HA -0.098 4.242 4.340 -0.000 0.000 0.204 124 L C 2.731 179.543 176.870 -0.097 0.000 1.080 124 L CA 0.917 55.579 54.840 -0.296 0.000 0.759 124 L CB -0.296 41.484 42.059 -0.466 0.000 0.914 124 L HN 0.152 nan 8.230 nan 0.000 0.439 125 R N 0.368 120.797 120.500 -0.118 0.000 2.120 125 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 125 R C 1.208 177.483 176.300 -0.043 0.000 1.123 125 R CA 0.910 56.972 56.100 -0.064 0.000 0.975 125 R CB -0.250 30.009 30.300 -0.069 0.000 0.866 125 R HN 0.385 nan 8.270 nan 0.000 0.446 126 E N 0.988 121.161 120.200 -0.044 0.000 2.385 126 E HA -0.027 4.323 4.350 -0.000 0.000 0.201 126 E C -0.294 176.299 176.600 -0.012 0.000 1.250 126 E CA 0.300 56.685 56.400 -0.025 0.000 1.104 126 E CB 0.096 29.784 29.700 -0.020 0.000 1.174 126 E HN 0.084 nan 8.360 nan 0.000 0.461 127 R N -0.231 120.262 120.500 -0.011 0.000 2.744 127 R HA 0.274 4.614 4.340 -0.000 0.000 0.279 127 R C 0.496 176.739 176.300 -0.094 0.000 0.977 127 R CA -0.620 55.471 56.100 -0.016 0.000 0.906 127 R CB 1.176 31.526 30.300 0.084 0.000 1.197 127 R HN -0.068 nan 8.270 nan 0.000 0.463 128 K N 1.364 121.691 120.400 -0.121 0.000 2.002 128 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 128 K C 1.124 177.560 176.600 -0.274 0.000 1.048 128 K CA 1.787 57.982 56.287 -0.154 0.000 0.930 128 K CB 0.152 32.579 32.500 -0.122 0.000 0.714 128 K HN 0.469 nan 8.250 nan 0.000 0.438 129 E N 1.103 121.028 120.200 -0.458 0.000 2.396 129 E HA -0.117 4.233 4.350 -0.000 0.000 0.200 129 E C 0.284 176.305 176.600 -0.965 0.000 1.023 129 E CA 0.334 56.255 56.400 -0.799 0.000 0.857 129 E CB -0.091 28.884 29.700 -1.209 0.000 0.775 129 E HN 0.199 nan 8.360 nan 0.000 0.525 130 L N 1.821 122.662 121.223 -0.637 0.000 2.515 130 L HA -0.031 4.309 4.340 -0.000 0.000 0.281 130 L C 0.098 176.881 176.870 -0.144 0.000 1.131 130 L CA -0.092 54.607 54.840 -0.234 0.000 0.905 130 L CB 0.467 42.518 42.059 -0.014 0.000 1.246 130 L HN 0.016 nan 8.230 nan 0.000 0.463 131 D N 3.562 123.902 120.400 -0.101 0.000 2.249 131 D HA -0.019 4.621 4.640 -0.000 0.000 0.205 131 D C 0.151 176.439 176.300 -0.021 0.000 0.962 131 D CA 0.788 54.751 54.000 -0.062 0.000 0.860 131 D CB 0.455 41.227 40.800 -0.045 0.000 0.955 131 D HN 0.760 nan 8.370 nan 0.000 0.505 132 E N -0.810 119.394 120.200 0.007 0.000 2.405 132 E HA 0.288 4.638 4.350 -0.000 0.000 0.283 132 E C -1.423 175.195 176.600 0.031 0.000 1.140 132 E CA -0.691 55.717 56.400 0.014 0.000 0.904 132 E CB 0.849 30.558 29.700 0.014 0.000 1.209 132 E HN -0.025 nan 8.360 nan 0.000 0.428 133 I N 0.889 121.472 120.570 0.021 0.000 2.569 133 I HA 0.709 4.879 4.170 -0.000 0.000 0.290 133 I C -1.620 174.514 176.117 0.028 0.000 1.088 133 I CA -0.715 60.598 61.300 0.021 0.000 1.047 133 I CB 1.806 39.802 38.000 -0.006 0.000 1.237 133 I HN 0.799 nan 8.210 nan 0.000 0.421 134 A N 8.830 131.676 122.820 0.044 0.000 3.105 134 A HA 0.557 4.877 4.320 -0.000 0.000 0.336 134 A C -2.678 174.956 177.584 0.083 0.000 1.042 134 A CA -1.315 50.756 52.037 0.056 0.000 0.851 134 A CB -0.163 18.870 19.000 0.055 0.000 1.068 134 A HN 0.478 nan 8.150 nan 0.000 0.477 135 P HA 0.062 nan 4.420 nan 0.000 0.265 135 P C -0.196 177.194 177.300 0.151 0.000 1.222 135 P CA 0.461 63.659 63.100 0.163 0.000 0.767 135 P CB 1.405 33.207 31.700 0.169 0.000 0.801 136 V N 6.605 126.637 119.914 0.196 0.000 2.260 136 V HA 0.243 4.363 4.120 -0.000 0.000 0.263 136 V C -1.796 174.388 176.094 0.150 0.000 1.036 136 V CA -2.360 60.020 62.300 0.132 0.000 0.874 136 V CB 1.068 32.962 31.823 0.119 0.000 1.116 136 V HN 0.235 nan 8.190 nan 0.000 0.454 137 P HA -0.043 nan 4.420 nan 0.000 0.222 137 P C 0.360 177.578 177.300 -0.137 0.000 1.142 137 P CA 1.304 64.185 63.100 -0.365 0.000 0.788 137 P CB 0.200 31.401 31.700 -0.832 0.000 0.767 138 D N -1.849 118.530 120.400 -0.035 0.000 2.462 138 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 138 D C 0.548 176.890 176.300 0.070 0.000 1.173 138 D CA -0.173 53.832 54.000 0.008 0.000 0.831 138 D CB -0.127 40.669 40.800 -0.007 0.000 1.001 138 D HN 0.045 nan 8.370 nan 0.000 0.499 139 A N -0.077 122.807 122.820 0.107 0.000 2.327 139 A HA 0.133 4.453 4.320 -0.000 0.000 0.255 139 A C 1.090 178.781 177.584 0.179 0.000 1.099 139 A CA -0.377 51.747 52.037 0.146 0.000 0.801 139 A CB 0.006 19.100 19.000 0.157 0.000 1.062 139 A HN 0.220 nan 8.150 nan 0.000 0.496 140 F N 0.974 120.947 119.950 0.039 0.000 2.147 140 F HA -0.100 4.427 4.527 -0.000 0.000 0.301 140 F C 0.655 176.470 175.800 0.026 0.000 1.084 140 F CA 1.883 59.897 58.000 0.024 0.000 1.268 140 F CB -0.013 38.994 39.000 0.013 0.000 1.009 140 F HN 0.103 nan 8.300 nan 0.000 0.486 141 V N 2.176 122.106 119.914 0.026 0.000 2.380 141 V HA 0.287 4.407 4.120 -0.000 0.000 0.286 141 V C -2.267 173.866 176.094 0.065 0.000 1.015 141 V CA -2.020 60.238 62.300 -0.070 0.000 0.834 141 V CB 0.969 32.761 31.823 -0.052 0.000 1.009 141 V HN -0.094 nan 8.190 nan 0.000 0.428 142 P HA 0.123 nan 4.420 nan 0.000 0.261 142 P C -0.432 177.041 177.300 0.288 0.000 1.165 142 P CA 0.801 64.070 63.100 0.282 0.000 0.759 142 P CB 0.558 32.488 31.700 0.383 0.000 0.772 143 I N 2.393 123.198 120.570 0.392 0.000 3.004 143 I HA 0.457 4.627 4.170 -0.000 0.000 0.305 143 I C -1.629 174.712 176.117 0.373 0.000 1.312 143 I CA -1.155 60.336 61.300 0.318 0.000 0.992 143 I CB 1.820 39.951 38.000 0.217 0.000 1.282 143 I HN 0.098 nan 8.210 nan 0.000 0.449 144 I N 5.405 126.149 120.570 0.291 0.000 2.411 144 I HA 0.356 4.526 4.170 -0.000 0.000 0.284 144 I C -0.776 175.428 176.117 0.145 0.000 1.012 144 I CA -0.672 60.748 61.300 0.200 0.000 1.119 144 I CB 1.678 39.719 38.000 0.068 0.000 1.261 144 I HN 0.417 nan 8.210 nan 0.000 0.448 145 K N 7.706 128.177 120.400 0.119 0.000 2.211 145 K HA 0.675 4.995 4.320 -0.000 0.000 0.275 145 K C -0.604 176.035 176.600 0.065 0.000 1.024 145 K CA -0.372 55.968 56.287 0.089 0.000 0.887 145 K CB 1.961 34.511 32.500 0.084 0.000 1.084 145 K HN 0.579 nan 8.250 nan 0.000 0.463 146 I N -1.369 119.236 120.570 0.058 0.000 3.191 146 I HA 0.520 4.690 4.170 -0.000 0.000 0.313 146 I C -1.623 174.538 176.117 0.075 0.000 1.193 146 I CA -1.100 60.237 61.300 0.061 0.000 0.968 146 I CB 2.335 40.370 38.000 0.058 0.000 1.262 146 I HN 0.375 nan 8.210 nan 0.000 0.456 147 K N 2.791 123.247 120.400 0.093 0.000 2.376 147 K HA 0.576 4.896 4.320 -0.000 0.000 0.257 147 K C -2.266 174.437 176.600 0.171 0.000 0.939 147 K CA -0.481 55.862 56.287 0.094 0.000 0.809 147 K CB 1.730 34.258 32.500 0.046 0.000 1.121 147 K HN 0.619 nan 8.250 nan 0.000 0.425 148 F N 2.315 122.247 119.950 -0.031 0.000 2.561 148 F HA 0.194 4.721 4.527 -0.000 0.000 0.313 148 F C 0.082 175.862 175.800 -0.033 0.000 1.126 148 F CA -0.286 57.693 58.000 -0.035 0.000 0.918 148 F CB 2.037 41.015 39.000 -0.037 0.000 1.199 148 F HN 0.743 nan 8.300 nan 0.000 0.444 149 S N 3.192 118.777 115.700 -0.192 0.000 3.419 149 S HA -0.189 4.281 4.470 -0.000 0.000 0.350 149 S C 0.959 175.544 174.600 -0.026 0.000 1.128 149 S CA 1.383 59.520 58.200 -0.105 0.000 0.999 149 S CB -1.732 61.454 63.200 -0.023 0.000 0.923 149 S HN 2.030 nan 8.310 nan 0.000 0.522 150 G N -0.517 108.273 108.800 -0.017 0.000 2.149 150 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.235 150 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.235 150 G C -0.168 174.741 174.900 0.015 0.000 1.018 150 G CA 0.170 45.268 45.100 -0.003 0.000 0.728 150 G HN 0.750 nan 8.290 nan 0.000 0.508 151 I N 0.416 121.010 120.570 0.039 0.000 2.582 151 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 151 I C 0.219 176.360 176.117 0.039 0.000 1.066 151 I CA -0.888 60.429 61.300 0.029 0.000 1.053 151 I CB 2.224 40.235 38.000 0.017 0.000 1.241 151 I HN 0.034 nan 8.210 nan 0.000 0.421 152 S N 6.091 121.801 115.700 0.016 0.000 2.523 152 S HA 0.527 4.997 4.470 -0.000 0.000 0.275 152 S C -0.266 174.335 174.600 0.000 0.000 1.281 152 S CA -0.307 57.904 58.200 0.019 0.000 1.050 152 S CB 0.393 63.602 63.200 0.014 0.000 0.937 152 S HN 0.240 nan 8.310 nan 0.000 0.492 153 I N 3.206 123.783 120.570 0.012 0.000 2.466 153 I HA 0.369 4.539 4.170 -0.000 0.000 0.289 153 I C -0.578 175.552 176.117 0.021 0.000 1.026 153 I CA -0.822 60.473 61.300 -0.008 0.000 1.078 153 I CB 1.828 39.813 38.000 -0.025 0.000 1.249 153 I HN 0.396 nan 8.210 nan 0.000 0.429 154 D N 6.659 127.067 120.400 0.012 0.000 2.198 154 D HA 0.602 5.242 4.640 -0.000 0.000 0.245 154 D C -0.410 175.950 176.300 0.099 0.000 1.079 154 D CA -0.027 54.009 54.000 0.060 0.000 0.854 154 D CB 2.181 43.008 40.800 0.045 0.000 1.148 154 D HN 0.316 nan 8.370 nan 0.000 0.456 155 L N 3.682 125.002 121.223 0.162 0.000 2.406 155 L HA 0.468 4.808 4.340 -0.000 0.000 0.270 155 L C -0.120 176.888 176.870 0.231 0.000 0.982 155 L CA -0.664 54.308 54.840 0.221 0.000 0.843 155 L CB 1.150 43.397 42.059 0.314 0.000 1.225 155 L HN 0.265 nan 8.230 nan 0.000 0.412 156 I N -0.652 119.978 120.570 0.099 0.000 2.797 156 I HA 0.727 4.897 4.170 -0.000 0.000 0.307 156 I C -0.762 175.112 176.117 -0.404 0.000 1.033 156 I CA -0.650 60.595 61.300 -0.092 0.000 1.071 156 I CB 2.204 40.195 38.000 -0.015 0.000 1.255 156 I HN 0.581 nan 8.210 nan 0.000 0.445 157 C N 4.392 123.250 119.300 -0.738 0.000 2.408 157 C HA 0.902 5.362 4.460 -0.000 0.000 0.321 157 C C 0.099 174.828 174.990 -0.435 0.000 1.245 157 C CA 0.059 58.574 59.018 -0.838 0.000 1.523 157 C CB 0.476 27.183 27.740 -1.723 0.000 2.178 157 C HN 1.001 nan 8.230 nan 0.000 0.488 158 A N 5.949 128.597 122.820 -0.287 0.000 2.343 158 A HA 0.880 5.200 4.320 -0.000 0.000 0.316 158 A C -0.602 176.889 177.584 -0.154 0.000 1.104 158 A CA -0.667 51.254 52.037 -0.195 0.000 0.768 158 A CB 0.772 19.673 19.000 -0.166 0.000 1.213 158 A HN 0.966 nan 8.150 nan 0.000 0.456 159 R N 3.102 123.525 120.500 -0.129 0.000 2.360 159 R HA 0.675 5.015 4.340 -0.000 0.000 0.318 159 R C -1.328 174.919 176.300 -0.089 0.000 0.950 159 R CA -0.582 55.452 56.100 -0.110 0.000 0.837 159 R CB 0.768 31.009 30.300 -0.100 0.000 1.165 159 R HN 0.533 nan 8.270 nan 0.000 0.458 160 L N 1.924 123.098 121.223 -0.082 0.000 2.418 160 L HA 0.166 4.506 4.340 -0.000 0.000 0.265 160 L C 0.466 177.306 176.870 -0.050 0.000 1.143 160 L CA -0.429 54.373 54.840 -0.062 0.000 0.809 160 L CB 0.822 42.850 42.059 -0.052 0.000 1.124 160 L HN 0.712 nan 8.230 nan 0.000 0.456 161 D N 1.579 121.958 120.400 -0.035 0.000 2.934 161 D HA 0.104 4.744 4.640 -0.000 0.000 0.237 161 D C -0.389 175.904 176.300 -0.012 0.000 1.158 161 D CA -0.135 53.853 54.000 -0.021 0.000 0.971 161 D CB 0.148 40.938 40.800 -0.017 0.000 1.123 161 D HN 0.490 nan 8.370 nan 0.000 0.467 162 Q N -0.447 119.346 119.800 -0.011 0.000 2.553 162 Q HA 0.439 4.779 4.340 -0.000 0.000 0.293 162 Q C -2.468 173.545 176.000 0.021 0.000 1.038 162 Q CA -1.690 54.115 55.803 0.003 0.000 0.777 162 Q CB 1.793 30.530 28.738 -0.002 0.000 1.487 162 Q HN -0.162 nan 8.270 nan 0.000 0.426 163 P HA -0.024 nan 4.420 nan 0.000 0.239 163 P C -0.537 176.824 177.300 0.101 0.000 1.188 163 P CA 0.769 63.924 63.100 0.092 0.000 0.794 163 P CB 0.855 32.591 31.700 0.059 0.000 0.937 164 Q N -0.847 118.981 119.800 0.046 0.000 2.421 164 Q HA 0.551 4.891 4.340 -0.000 0.000 0.280 164 Q C -1.449 174.560 176.000 0.014 0.000 1.085 164 Q CA -0.917 54.909 55.803 0.038 0.000 0.807 164 Q CB 3.263 32.024 28.738 0.038 0.000 1.405 164 Q HN -0.310 nan 8.270 nan 0.000 0.419 165 V N 2.955 122.874 119.914 0.009 0.000 2.380 165 V HA 0.311 4.431 4.120 -0.000 0.000 0.272 165 V C -2.248 173.859 176.094 0.022 0.000 1.011 165 V CA -1.342 60.968 62.300 0.017 0.000 0.826 165 V CB 1.173 32.998 31.823 0.003 0.000 1.040 165 V HN 0.603 nan 8.190 nan 0.000 0.441 166 P HA 0.269 nan 4.420 nan 0.000 0.276 166 P C 1.072 178.382 177.300 0.017 0.000 1.244 166 P CA -0.353 62.760 63.100 0.022 0.000 0.801 166 P CB 1.784 33.498 31.700 0.024 0.000 1.006 167 L N 1.161 122.384 121.223 -0.000 0.000 2.187 167 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 167 L C 2.497 179.361 176.870 -0.009 0.000 1.100 167 L CA 2.154 56.980 54.840 -0.023 0.000 0.765 167 L CB -0.833 41.211 42.059 -0.024 0.000 0.904 167 L HN 0.496 nan 8.230 nan 0.000 0.437 168 S N -0.393 115.318 115.700 0.017 0.000 2.489 168 S HA -0.048 4.422 4.470 -0.000 0.000 0.228 168 S C 0.864 175.506 174.600 0.070 0.000 0.995 168 S CA -0.361 57.859 58.200 0.033 0.000 0.934 168 S CB -0.456 62.759 63.200 0.026 0.000 0.771 168 S HN 0.198 nan 8.310 nan 0.000 0.522 169 L N 4.137 125.417 121.223 0.095 0.000 2.601 169 L HA 0.272 4.612 4.340 -0.000 0.000 0.277 169 L C 0.178 177.207 176.870 0.266 0.000 1.219 169 L CA 0.865 55.795 54.840 0.150 0.000 0.915 169 L CB -0.016 42.143 42.059 0.167 0.000 1.160 169 L HN 0.467 nan 8.230 nan 0.000 0.494 170 T N 2.677 117.324 114.554 0.154 0.000 2.908 170 T HA 0.518 4.868 4.350 -0.000 0.000 0.290 170 T C 0.540 175.217 174.700 -0.037 0.000 1.034 170 T CA -0.871 61.304 62.100 0.124 0.000 1.010 170 T CB 1.058 69.975 68.868 0.081 0.000 1.068 170 T HN 0.541 nan 8.240 nan 0.000 0.481 171 L N 2.102 123.209 121.223 -0.193 0.000 2.728 171 L HA 0.173 4.513 4.340 -0.000 0.000 0.235 171 L C 2.223 179.015 176.870 -0.130 0.000 1.197 171 L CA -0.321 54.384 54.840 -0.226 0.000 0.992 171 L CB -0.340 41.468 42.059 -0.419 0.000 1.263 171 L HN 0.880 nan 8.230 nan 0.000 0.484 172 S N -1.869 113.785 115.700 -0.077 0.000 2.402 172 S HA -0.147 4.323 4.470 -0.000 0.000 0.229 172 S C 0.831 175.409 174.600 -0.036 0.000 1.021 172 S CA 0.118 58.288 58.200 -0.049 0.000 0.974 172 S CB -0.394 62.787 63.200 -0.032 0.000 0.800 172 S HN 0.469 nan 8.310 nan 0.000 0.484 173 D N 2.070 122.448 120.400 -0.036 0.000 2.472 173 D HA 0.068 4.707 4.640 -0.000 0.000 0.248 173 D C 0.953 177.236 176.300 -0.028 0.000 1.174 173 D CA 0.235 54.216 54.000 -0.032 0.000 0.883 173 D CB 0.538 41.320 40.800 -0.029 0.000 1.149 173 D HN 0.172 nan 8.370 nan 0.000 0.488 174 K N 3.095 123.476 120.400 -0.032 0.000 2.160 174 K HA -0.190 4.129 4.320 -0.000 0.000 0.206 174 K C 0.978 177.566 176.600 -0.020 0.000 1.047 174 K CA 1.039 57.309 56.287 -0.028 0.000 0.930 174 K CB 0.080 32.505 32.500 -0.126 0.000 0.720 174 K HN 0.522 nan 8.250 nan 0.000 0.450 175 N N 0.855 119.534 118.700 -0.035 0.000 2.512 175 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 175 N C 1.555 177.055 175.510 -0.017 0.000 1.073 175 N CA 0.631 53.665 53.050 -0.026 0.000 0.911 175 N CB -0.011 38.458 38.487 -0.030 0.000 0.964 175 N HN 0.262 nan 8.380 nan 0.000 0.447 176 L N 0.623 121.833 121.223 -0.023 0.000 2.353 176 L HA -0.045 4.295 4.340 -0.000 0.000 0.220 176 L C 1.815 178.667 176.870 -0.030 0.000 1.133 176 L CA 0.581 55.401 54.840 -0.033 0.000 0.798 176 L CB -0.296 41.730 42.059 -0.055 0.000 0.922 176 L HN 0.117 nan 8.230 nan 0.000 0.445 177 L N -0.117 121.101 121.223 -0.008 0.000 2.554 177 L HA 0.005 4.345 4.340 -0.000 0.000 0.226 177 L C 1.427 178.300 176.870 0.004 0.000 1.137 177 L CA -0.159 54.681 54.840 0.001 0.000 0.863 177 L CB -0.525 41.565 42.059 0.050 0.000 0.985 177 L HN 0.336 nan 8.230 nan 0.000 0.451 178 R N 0.969 121.470 120.500 0.003 0.000 2.638 178 R HA -0.081 4.259 4.340 -0.000 0.000 0.268 178 R C 0.217 176.513 176.300 -0.007 0.000 1.006 178 R CA 0.270 56.371 56.100 0.002 0.000 1.088 178 R CB -0.065 30.233 30.300 -0.003 0.000 0.950 178 R HN 0.212 nan 8.270 nan 0.000 0.419 179 N N 0.094 118.792 118.700 -0.004 0.000 2.717 179 N HA -0.214 4.526 4.740 -0.000 0.000 0.248 179 N C -0.209 175.290 175.510 -0.017 0.000 1.099 179 N CA 1.490 54.535 53.050 -0.009 0.000 0.843 179 N CB -1.004 37.478 38.487 -0.008 0.000 1.155 179 N HN 0.558 nan 8.380 nan 0.000 0.580 180 L N 1.041 122.250 121.223 -0.024 0.000 2.466 180 L HA 0.150 4.490 4.340 -0.000 0.000 0.257 180 L C 1.077 177.923 176.870 -0.040 0.000 1.189 180 L CA -0.305 54.512 54.840 -0.039 0.000 0.813 180 L CB 0.332 42.360 42.059 -0.052 0.000 1.118 180 L HN 0.104 nan 8.230 nan 0.000 0.471 181 D N -0.998 119.372 120.400 -0.050 0.000 2.440 181 D HA 0.092 4.732 4.640 -0.000 0.000 0.258 181 D C 0.585 176.840 176.300 -0.075 0.000 1.092 181 D CA -0.611 53.358 54.000 -0.051 0.000 1.016 181 D CB 0.804 41.578 40.800 -0.043 0.000 1.141 181 D HN 0.458 nan 8.370 nan 0.000 0.552 182 E N -0.138 120.015 120.200 -0.078 0.000 2.086 182 E HA -0.247 4.103 4.350 -0.000 0.000 0.200 182 E C 1.625 178.125 176.600 -0.166 0.000 1.012 182 E CA 1.515 57.848 56.400 -0.111 0.000 0.812 182 E CB 0.054 29.695 29.700 -0.100 0.000 0.743 182 E HN 0.452 nan 8.360 nan 0.000 0.453 183 K N 0.292 120.595 120.400 -0.161 0.000 2.057 183 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 183 K C 1.891 178.387 176.600 -0.174 0.000 1.050 183 K CA 1.224 57.393 56.287 -0.197 0.000 0.935 183 K CB -0.024 32.392 32.500 -0.140 0.000 0.715 183 K HN 0.103 nan 8.250 nan 0.000 0.439 184 D N 1.268 121.587 120.400 -0.135 0.000 2.097 184 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 184 D C 2.006 178.218 176.300 -0.146 0.000 0.989 184 D CA 0.869 54.787 54.000 -0.135 0.000 0.827 184 D CB -0.165 40.572 40.800 -0.106 0.000 0.966 184 D HN 0.097 nan 8.370 nan 0.000 0.456 185 L N 0.556 121.700 121.223 -0.132 0.000 2.043 185 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 185 L C 2.633 179.408 176.870 -0.158 0.000 1.075 185 L CA 1.127 55.889 54.840 -0.129 0.000 0.752 185 L CB -0.029 41.963 42.059 -0.111 0.000 0.891 185 L HN -0.067 nan 8.230 nan 0.000 0.432 186 R N -0.634 119.754 120.500 -0.187 0.000 2.115 186 R HA -0.124 4.216 4.340 -0.000 0.000 0.230 186 R C 2.178 178.347 176.300 -0.217 0.000 1.111 186 R CA 1.335 57.308 56.100 -0.212 0.000 0.976 186 R CB -0.233 29.878 30.300 -0.314 0.000 0.870 186 R HN 0.436 nan 8.270 nan 0.000 0.445 187 A N 0.023 122.712 122.820 -0.219 0.000 1.968 187 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 187 A C 2.023 179.445 177.584 -0.270 0.000 1.169 187 A CA 0.872 52.765 52.037 -0.241 0.000 0.638 187 A CB -0.321 18.551 19.000 -0.212 0.000 0.812 187 A HN 0.309 nan 8.150 nan 0.000 0.446 188 L N -0.356 120.733 121.223 -0.224 0.000 2.109 188 L HA -0.147 4.192 4.340 -0.000 0.000 0.207 188 L C 2.522 179.256 176.870 -0.226 0.000 1.086 188 L CA 1.078 55.783 54.840 -0.225 0.000 0.760 188 L CB -0.510 41.440 42.059 -0.182 0.000 0.910 188 L HN 0.568 nan 8.230 nan 0.000 0.437 189 N N 0.424 119.003 118.700 -0.201 0.000 2.091 189 N HA -0.214 4.526 4.740 -0.000 0.000 0.193 189 N C 1.785 177.185 175.510 -0.183 0.000 1.021 189 N CA 1.704 54.653 53.050 -0.169 0.000 0.862 189 N CB -0.064 38.335 38.487 -0.146 0.000 1.018 189 N HN 0.377 nan 8.380 nan 0.000 0.429 190 G N -0.119 108.510 108.800 -0.286 0.000 2.514 190 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.217 190 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.217 190 G C 1.533 176.330 174.900 -0.171 0.000 1.198 190 G CA 1.581 46.488 45.100 -0.323 0.000 0.780 190 G HN 0.348 nan 8.290 nan 0.000 0.565 191 T N 0.343 114.772 114.554 -0.208 0.000 2.737 191 T HA -0.054 4.296 4.350 -0.000 0.000 0.265 191 T C 2.519 177.176 174.700 -0.071 0.000 1.038 191 T CA 1.191 63.264 62.100 -0.045 0.000 1.144 191 T CB -0.143 68.670 68.868 -0.091 0.000 0.866 191 T HN 0.227 nan 8.240 nan 0.000 0.434 192 R N 0.288 120.711 120.500 -0.128 0.000 2.091 192 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 192 R C 2.452 178.718 176.300 -0.056 0.000 1.136 192 R CA 1.115 57.154 56.100 -0.101 0.000 0.959 192 R CB -0.657 29.580 30.300 -0.106 0.000 0.856 192 R HN 0.239 nan 8.270 nan 0.000 0.437 193 V N 0.513 120.398 119.914 -0.049 0.000 2.270 193 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 193 V C 2.445 178.540 176.094 0.001 0.000 1.043 193 V CA 2.321 64.607 62.300 -0.023 0.000 1.014 193 V CB -0.757 31.053 31.823 -0.022 0.000 0.645 193 V HN 0.562 nan 8.190 nan 0.000 0.447 194 T N -2.363 112.210 114.554 0.032 0.000 2.881 194 T HA -0.216 4.134 4.350 -0.000 0.000 0.270 194 T C 1.560 176.275 174.700 0.025 0.000 1.068 194 T CA 1.519 63.655 62.100 0.059 0.000 1.131 194 T CB -0.421 68.519 68.868 0.120 0.000 0.871 194 T HN 0.355 nan 8.240 nan 0.000 0.479 195 D N 1.450 121.856 120.400 0.010 0.000 2.117 195 D HA -0.040 4.600 4.640 -0.000 0.000 0.197 195 D C 2.269 178.550 176.300 -0.031 0.000 0.987 195 D CA 1.042 55.038 54.000 -0.006 0.000 0.829 195 D CB -0.205 40.585 40.800 -0.018 0.000 0.961 195 D HN 0.583 nan 8.370 nan 0.000 0.460 196 E N -0.119 120.059 120.200 -0.036 0.000 2.107 196 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 196 E C 2.327 178.880 176.600 -0.079 0.000 0.982 196 E CA 0.144 56.515 56.400 -0.049 0.000 0.809 196 E CB 0.108 29.788 29.700 -0.034 0.000 0.756 196 E HN 0.286 nan 8.360 nan 0.000 0.459 197 I N 1.047 121.568 120.570 -0.082 0.000 2.091 197 I HA -0.341 3.828 4.170 -0.000 0.000 0.239 197 I C 2.314 178.267 176.117 -0.273 0.000 1.061 197 I CA 1.263 62.473 61.300 -0.150 0.000 1.317 197 I CB -0.279 37.661 38.000 -0.100 0.000 1.031 197 I HN 0.147 nan 8.210 nan 0.000 0.401 198 L N 0.096 121.181 121.223 -0.230 0.000 2.261 198 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 198 L C 2.181 178.939 176.870 -0.187 0.000 1.114 198 L CA 1.304 55.998 54.840 -0.245 0.000 0.777 198 L CB -0.450 41.545 42.059 -0.107 0.000 0.910 198 L HN 0.297 nan 8.230 nan 0.000 0.440 199 E N -0.516 119.599 120.200 -0.141 0.000 2.385 199 E HA 0.006 4.356 4.350 -0.000 0.000 0.194 199 E C 1.434 177.956 176.600 -0.131 0.000 1.013 199 E CA 0.239 56.571 56.400 -0.112 0.000 0.866 199 E CB 0.308 29.963 29.700 -0.075 0.000 0.832 199 E HN 0.469 nan 8.360 nan 0.000 0.500 200 L N 0.581 121.711 121.223 -0.156 0.000 2.818 200 L HA 0.254 4.594 4.340 -0.000 0.000 0.243 200 L C -0.221 176.541 176.870 -0.180 0.000 1.185 200 L CA -0.251 54.500 54.840 -0.148 0.000 0.988 200 L CB 0.983 42.978 42.059 -0.107 0.000 1.292 200 L HN -0.125 nan 8.230 nan 0.000 0.519 201 V N 0.502 120.283 119.914 -0.222 0.000 2.581 201 V HA 0.285 4.405 4.120 -0.000 0.000 0.303 201 V C -1.442 174.552 176.094 -0.167 0.000 1.041 201 V CA -1.104 61.071 62.300 -0.209 0.000 0.907 201 V CB 2.460 34.062 31.823 -0.369 0.000 0.994 201 V HN -0.050 nan 8.190 nan 0.000 0.442 202 P HA -0.051 nan 4.420 nan 0.000 0.213 202 P C -0.272 177.001 177.300 -0.044 0.000 1.170 202 P CA 1.256 64.282 63.100 -0.123 0.000 0.893 202 P CB 0.225 31.905 31.700 -0.034 0.000 0.784 203 K N -1.105 119.308 120.400 0.021 0.000 2.507 203 K HA 0.271 4.591 4.320 -0.000 0.000 0.253 203 K C -2.339 174.315 176.600 0.089 0.000 0.969 203 K CA -1.936 54.381 56.287 0.050 0.000 0.908 203 K CB 1.452 33.998 32.500 0.076 0.000 1.127 203 K HN -0.084 nan 8.250 nan 0.000 0.437 204 P HA -0.202 nan 4.420 nan 0.000 0.219 204 P C 1.068 178.504 177.300 0.226 0.000 1.146 204 P CA 1.173 64.355 63.100 0.136 0.000 0.808 204 P CB 0.294 32.031 31.700 0.061 0.000 0.779 205 N N -0.547 118.234 118.700 0.135 0.000 2.171 205 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 205 N C 1.574 177.145 175.510 0.101 0.000 1.021 205 N CA 1.217 54.331 53.050 0.107 0.000 0.854 205 N CB -1.207 37.319 38.487 0.065 0.000 0.994 205 N HN -0.004 nan 8.380 nan 0.000 0.426 206 V N 1.139 121.117 119.914 0.108 0.000 2.392 206 V HA -0.203 3.917 4.120 -0.000 0.000 0.249 206 V C 2.230 178.378 176.094 0.091 0.000 1.059 206 V CA 1.738 64.091 62.300 0.087 0.000 1.051 206 V CB -1.020 30.864 31.823 0.102 0.000 0.658 206 V HN 0.259 nan 8.190 nan 0.000 0.455 207 F N 1.212 121.171 119.950 0.016 0.000 2.171 207 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 207 F C 2.478 178.280 175.800 0.005 0.000 1.090 207 F CA 1.646 59.654 58.000 0.013 0.000 1.293 207 F CB -0.272 38.741 39.000 0.021 0.000 1.013 207 F HN -0.008 nan 8.300 nan 0.000 0.486 208 R N 0.072 120.475 120.500 -0.162 0.000 2.062 208 R HA -0.102 4.238 4.340 -0.000 0.000 0.229 208 R C 2.227 178.394 176.300 -0.223 0.000 1.128 208 R CA 1.495 57.449 56.100 -0.244 0.000 0.960 208 R CB -0.516 29.789 30.300 0.008 0.000 0.855 208 R HN 0.296 nan 8.270 nan 0.000 0.432 209 I N 1.088 121.590 120.570 -0.115 0.000 2.179 209 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 209 I C 2.546 178.534 176.117 -0.215 0.000 1.088 209 I CA 1.354 62.587 61.300 -0.112 0.000 1.357 209 I CB -1.351 36.620 38.000 -0.048 0.000 1.051 209 I HN 0.136 nan 8.210 nan 0.000 0.409 210 A N 0.428 123.110 122.820 -0.230 0.000 1.978 210 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 210 A C 2.441 179.805 177.584 -0.367 0.000 1.170 210 A CA 1.291 53.157 52.037 -0.284 0.000 0.636 210 A CB -0.726 18.138 19.000 -0.226 0.000 0.810 210 A HN 0.431 nan 8.150 nan 0.000 0.448 211 L N -1.384 119.581 121.223 -0.430 0.000 2.131 211 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 211 L C 2.800 179.500 176.870 -0.283 0.000 1.087 211 L CA 0.955 55.558 54.840 -0.395 0.000 0.767 211 L CB -0.288 41.441 42.059 -0.550 0.000 0.917 211 L HN 0.387 nan 8.230 nan 0.000 0.441 212 R N -0.416 119.906 120.500 -0.296 0.000 2.081 212 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 212 R C 2.314 178.420 176.300 -0.322 0.000 1.131 212 R CA 1.452 57.366 56.100 -0.311 0.000 0.960 212 R CB -0.430 29.633 30.300 -0.395 0.000 0.856 212 R HN 0.408 nan 8.270 nan 0.000 0.436 213 A N 1.349 123.994 122.820 -0.292 0.000 1.858 213 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 213 A C 2.093 179.613 177.584 -0.107 0.000 1.190 213 A CA 1.200 53.114 52.037 -0.204 0.000 0.617 213 A CB -0.429 18.511 19.000 -0.100 0.000 0.827 213 A HN 0.111 nan 8.150 nan 0.000 0.443 214 I N -0.071 120.367 120.570 -0.220 0.000 2.226 214 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 214 I C 2.302 178.368 176.117 -0.085 0.000 1.100 214 I CA 1.705 62.873 61.300 -0.221 0.000 1.374 214 I CB -1.146 36.572 38.000 -0.471 0.000 1.057 214 I HN 0.390 nan 8.210 nan 0.000 0.413 215 K N 0.248 120.577 120.400 -0.117 0.000 2.026 215 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 215 K C 2.055 178.550 176.600 -0.175 0.000 1.048 215 K CA 1.207 57.454 56.287 -0.067 0.000 0.929 215 K CB -0.357 32.103 32.500 -0.068 0.000 0.713 215 K HN 0.098 nan 8.250 nan 0.000 0.439 216 L N 0.509 121.590 121.223 -0.236 0.000 1.970 216 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 216 L C 2.087 178.868 176.870 -0.148 0.000 1.071 216 L CA 1.804 56.456 54.840 -0.314 0.000 0.751 216 L CB -0.882 40.818 42.059 -0.598 0.000 0.889 216 L HN 0.361 nan 8.230 nan 0.000 0.432 217 W N 0.685 121.890 121.300 -0.160 0.000 2.301 217 W HA -0.326 4.334 4.660 -0.000 0.000 0.325 217 W C 2.387 178.882 176.519 -0.039 0.000 1.250 217 W CA 3.076 60.473 57.345 0.086 0.000 1.261 217 W CB -0.839 28.772 29.460 0.251 0.000 1.157 217 W HN 0.301 nan 8.180 nan 0.000 0.473 218 A N 0.280 122.963 122.820 -0.228 0.000 1.917 218 A HA -0.335 3.985 4.320 -0.000 0.000 0.219 218 A C 1.929 179.286 177.584 -0.379 0.000 1.182 218 A CA 2.303 53.975 52.037 -0.609 0.000 0.633 218 A CB -1.092 17.610 19.000 -0.496 0.000 0.819 218 A HN 0.648 nan 8.150 nan 0.000 0.448 219 Q N -1.232 118.402 119.800 -0.276 0.000 2.119 219 Q HA -0.098 4.242 4.340 -0.000 0.000 0.201 219 Q C 2.336 178.182 176.000 -0.257 0.000 0.972 219 Q CA 1.051 56.681 55.803 -0.288 0.000 0.847 219 Q CB -0.136 28.378 28.738 -0.373 0.000 0.903 219 Q HN 0.549 nan 8.270 nan 0.000 0.433 220 R N 0.208 120.564 120.500 -0.241 0.000 2.119 220 R HA 0.032 4.372 4.340 -0.000 0.000 0.222 220 R C 1.504 177.687 176.300 -0.195 0.000 1.088 220 R CA 0.593 56.596 56.100 -0.163 0.000 0.984 220 R CB 0.184 30.440 30.300 -0.073 0.000 0.884 220 R HN 0.089 nan 8.270 nan 0.000 0.447 221 R N 0.305 120.580 120.500 -0.375 0.000 2.335 221 R HA 0.188 4.528 4.340 -0.000 0.000 0.223 221 R C 0.574 176.679 176.300 -0.324 0.000 0.940 221 R CA 0.309 56.185 56.100 -0.373 0.000 1.086 221 R CB -0.167 29.728 30.300 -0.675 0.000 1.073 221 R HN 0.181 nan 8.270 nan 0.000 0.504 222 A N 0.803 123.428 122.820 -0.325 0.000 2.687 222 A HA -0.163 4.157 4.320 -0.000 0.000 0.299 222 A C 0.716 177.905 177.584 -0.657 0.000 1.497 222 A CA 1.027 52.822 52.037 -0.403 0.000 0.751 222 A CB -2.103 16.717 19.000 -0.301 0.000 1.048 222 A HN 0.279 nan 8.150 nan 0.000 0.464 223 V N -4.252 115.330 119.914 -0.553 0.000 2.841 223 V HA 0.578 4.698 4.120 -0.000 0.000 0.363 223 V C -0.255 175.892 176.094 0.089 0.000 1.330 223 V CA 0.369 62.296 62.300 -0.621 0.000 1.207 223 V CB -0.343 31.315 31.823 -0.275 0.000 1.318 223 V HN 1.038 nan 8.190 nan 0.000 0.603 224 Y N 1.332 121.601 120.300 -0.052 0.000 2.658 224 Y HA 0.796 5.346 4.550 -0.000 0.000 0.362 224 Y C 0.047 176.038 175.900 0.152 0.000 1.017 224 Y CA -0.185 58.058 58.100 0.238 0.000 1.134 224 Y CB 0.634 39.150 38.460 0.094 0.000 1.144 224 Y HN 0.486 nan 8.280 nan 0.000 0.655 225 A N 3.187 126.218 122.820 0.352 0.000 2.579 225 A HA 0.155 4.475 4.320 -0.000 0.000 0.288 225 A C -0.143 177.584 177.584 0.238 0.000 1.079 225 A CA -0.630 51.599 52.037 0.319 0.000 0.889 225 A CB 0.206 19.438 19.000 0.386 0.000 1.439 225 A HN 0.757 nan 8.150 nan 0.000 0.399 226 N N 1.772 120.514 118.700 0.070 0.000 2.094 226 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 226 N C 1.368 176.831 175.510 -0.080 0.000 1.023 226 N CA 2.385 55.414 53.050 -0.034 0.000 0.857 226 N CB -0.192 38.252 38.487 -0.071 0.000 1.013 226 N HN 0.752 nan 8.380 nan 0.000 0.426 227 I N -0.683 119.804 120.570 -0.137 0.000 2.361 227 I HA -0.134 4.036 4.170 -0.000 0.000 0.251 227 I C 0.715 176.574 176.117 -0.429 0.000 1.133 227 I CA 1.245 62.347 61.300 -0.330 0.000 1.413 227 I CB -0.178 37.524 38.000 -0.497 0.000 1.073 227 I HN 0.166 nan 8.210 nan 0.000 0.424 228 F N 0.142 120.079 119.950 -0.023 0.000 2.693 228 F HA 0.359 4.886 4.527 -0.000 0.000 0.303 228 F C 1.659 177.310 175.800 -0.248 0.000 1.097 228 F CA 0.411 58.383 58.000 -0.048 0.000 1.330 228 F CB 0.147 39.206 39.000 0.098 0.000 1.067 228 F HN 0.119 nan 8.300 nan 0.000 0.565 229 G N 0.010 108.708 108.800 -0.171 0.000 2.131 229 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.201 229 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.201 229 G C -0.193 174.326 174.900 -0.635 0.000 1.000 229 G CA -0.617 44.236 45.100 -0.411 0.000 0.680 229 G HN 0.240 nan 8.290 nan 0.000 0.514 230 F N -0.114 119.794 119.950 -0.071 0.000 2.575 230 F HA 0.649 5.176 4.527 -0.000 0.000 0.330 230 F C -1.989 173.685 175.800 -0.210 0.000 1.056 230 F CA -2.700 55.238 58.000 -0.104 0.000 0.964 230 F CB 1.677 40.688 39.000 0.017 0.000 1.258 230 F HN -0.185 nan 8.300 nan 0.000 0.484 231 P HA 0.156 nan 4.420 nan 0.000 0.269 231 P C -0.209 176.809 177.300 -0.470 0.000 1.209 231 P CA 0.032 62.783 63.100 -0.583 0.000 0.776 231 P CB 0.552 31.390 31.700 -1.438 0.000 0.876 232 G N 0.859 109.407 108.800 -0.420 0.000 2.583 232 G HA2 0.409 4.369 3.960 -0.000 0.000 0.280 232 G HA3 0.409 4.369 3.960 -0.000 0.000 0.280 232 G C 1.249 175.915 174.900 -0.390 0.000 1.376 232 G CA -0.188 44.697 45.100 -0.359 0.000 1.043 232 G HN 0.508 nan 8.290 nan 0.000 0.538 233 G N -1.126 107.537 108.800 -0.229 0.000 2.421 233 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.216 233 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.216 233 G C 1.666 176.623 174.900 0.094 0.000 1.171 233 G CA 1.560 46.681 45.100 0.035 0.000 0.775 233 G HN 0.457 nan 8.290 nan 0.000 0.543 234 V N 1.660 121.603 119.914 0.048 0.000 2.343 234 V HA -0.125 3.995 4.120 -0.000 0.000 0.247 234 V C 3.302 179.407 176.094 0.019 0.000 1.051 234 V CA 1.928 64.263 62.300 0.058 0.000 1.036 234 V CB -1.029 30.813 31.823 0.031 0.000 0.654 234 V HN 0.496 nan 8.190 nan 0.000 0.451 235 A N -0.522 122.241 122.820 -0.094 0.000 1.851 235 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 235 A C 1.987 179.516 177.584 -0.092 0.000 1.195 235 A CA 2.132 54.053 52.037 -0.194 0.000 0.622 235 A CB -1.094 17.659 19.000 -0.410 0.000 0.831 235 A HN 0.639 nan 8.150 nan 0.000 0.444 236 W N -0.404 120.913 121.300 0.029 0.000 2.325 236 W HA -0.159 4.501 4.660 -0.000 0.000 0.299 236 W C 2.796 179.407 176.519 0.154 0.000 1.215 236 W CA 1.208 58.630 57.345 0.127 0.000 1.244 236 W CB -0.122 29.397 29.460 0.098 0.000 1.140 236 W HN 0.463 nan 8.180 nan 0.000 0.523 237 A N 0.022 123.052 122.820 0.349 0.000 1.858 237 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 237 A C 1.890 179.679 177.584 0.341 0.000 1.190 237 A CA 1.963 54.202 52.037 0.336 0.000 0.617 237 A CB -0.953 18.234 19.000 0.312 0.000 0.827 237 A HN 0.259 nan 8.150 nan 0.000 0.443 238 M N -0.643 119.081 119.600 0.207 0.000 2.149 238 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 238 M C 2.162 178.552 176.300 0.151 0.000 1.064 238 M CA 1.331 56.711 55.300 0.133 0.000 1.102 238 M CB -0.566 32.055 32.600 0.035 0.000 1.369 238 M HN 0.376 nan 8.290 nan 0.000 0.408 239 L N -0.552 120.783 121.223 0.186 0.000 2.042 239 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 239 L C 2.441 179.526 176.870 0.359 0.000 1.076 239 L CA 1.023 55.983 54.840 0.198 0.000 0.749 239 L CB -0.586 41.656 42.059 0.305 0.000 0.893 239 L HN 0.135 nan 8.230 nan 0.000 0.432 240 V N -0.156 120.066 119.914 0.513 0.000 2.343 240 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 240 V C 2.705 179.038 176.094 0.400 0.000 1.051 240 V CA 1.731 64.311 62.300 0.466 0.000 1.036 240 V CB -0.825 31.120 31.823 0.203 0.000 0.654 240 V HN 0.489 nan 8.190 nan 0.000 0.451 241 A N 0.363 123.429 122.820 0.410 0.000 1.933 241 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 241 A C 2.293 179.971 177.584 0.156 0.000 1.175 241 A CA 2.113 54.303 52.037 0.256 0.000 0.628 241 A CB -0.533 18.511 19.000 0.074 0.000 0.814 241 A HN 0.468 nan 8.150 nan 0.000 0.444 242 R N 0.004 120.583 120.500 0.133 0.000 2.120 242 R HA -0.068 4.272 4.340 -0.000 0.000 0.234 242 R C 1.580 177.966 176.300 0.145 0.000 1.123 242 R CA 1.693 57.849 56.100 0.094 0.000 0.975 242 R CB -0.397 29.912 30.300 0.014 0.000 0.866 242 R HN 0.479 nan 8.270 nan 0.000 0.446 243 I N -0.629 120.053 120.570 0.186 0.000 2.480 243 I HA -0.167 4.003 4.170 -0.000 0.000 0.251 243 I C 2.100 178.399 176.117 0.303 0.000 1.124 243 I CA 0.608 62.058 61.300 0.250 0.000 1.444 243 I CB -1.330 36.818 38.000 0.247 0.000 1.098 243 I HN 0.195 nan 8.210 nan 0.000 0.428 244 C N 0.615 120.072 119.300 0.261 0.000 2.422 244 C HA -0.161 4.299 4.460 -0.000 0.000 0.279 244 C C 2.877 177.994 174.990 0.212 0.000 1.305 244 C CA 0.733 59.897 59.018 0.244 0.000 1.757 244 C CB -1.009 26.882 27.740 0.252 0.000 1.962 244 C HN 0.533 nan 8.230 nan 0.000 0.499 245 Q N 0.109 120.010 119.800 0.168 0.000 2.084 245 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 245 Q C 2.131 178.236 176.000 0.176 0.000 0.978 245 Q CA 1.275 57.157 55.803 0.132 0.000 0.844 245 Q CB -0.173 28.622 28.738 0.096 0.000 0.898 245 Q HN 0.682 nan 8.270 nan 0.000 0.426 246 L N -0.873 120.452 121.223 0.170 0.000 2.201 246 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 246 L C 0.199 176.927 176.870 -0.237 0.000 1.105 246 L CA 0.721 55.551 54.840 -0.017 0.000 0.775 246 L CB 0.056 42.119 42.059 0.007 0.000 0.913 246 L HN 0.204 nan 8.230 nan 0.000 0.440 247 Y N -1.880 118.493 120.300 0.121 0.000 2.748 247 Y HA 0.295 4.845 4.550 -0.000 0.000 0.359 247 Y C -1.700 174.277 175.900 0.128 0.000 1.030 247 Y CA -2.580 55.583 58.100 0.106 0.000 1.169 247 Y CB 0.148 38.657 38.460 0.081 0.000 1.127 247 Y HN -0.131 nan 8.280 nan 0.000 0.644 248 P HA -0.211 nan 4.420 nan 0.000 0.217 248 P C -0.248 177.171 177.300 0.198 0.000 1.158 248 P CA 1.947 65.207 63.100 0.266 0.000 0.887 248 P CB 0.209 32.151 31.700 0.403 0.000 0.792 249 N N -1.875 116.930 118.700 0.176 0.000 2.598 249 N HA 0.435 5.175 4.740 -0.000 0.000 0.309 249 N C -0.560 175.026 175.510 0.127 0.000 1.645 249 N CA -0.282 52.849 53.050 0.135 0.000 0.936 249 N CB 0.680 39.233 38.487 0.109 0.000 1.323 249 N HN 0.073 nan 8.380 nan 0.000 0.497 250 A N 0.069 122.977 122.820 0.148 0.000 2.269 250 A HA 0.701 5.020 4.320 -0.000 0.000 0.327 250 A C 0.473 178.115 177.584 0.096 0.000 1.112 250 A CA -0.800 51.309 52.037 0.120 0.000 0.865 250 A CB 0.398 19.473 19.000 0.125 0.000 1.227 250 A HN 0.544 nan 8.150 nan 0.000 0.498 251 C N -0.827 118.524 119.300 0.085 0.000 2.422 251 C HA 0.588 5.048 4.460 -0.000 0.000 0.364 251 C C 1.779 176.810 174.990 0.069 0.000 1.251 251 C CA 0.051 59.117 59.018 0.081 0.000 2.441 251 C CB 0.367 28.165 27.740 0.096 0.000 2.393 251 C HN 0.797 nan 8.230 nan 0.000 0.606 252 S N 1.121 116.844 115.700 0.039 0.000 2.402 252 S HA -0.158 4.311 4.470 -0.000 0.000 0.233 252 S C 2.109 176.712 174.600 0.005 0.000 1.030 252 S CA 1.753 59.949 58.200 -0.007 0.000 1.003 252 S CB -0.666 62.498 63.200 -0.061 0.000 0.813 252 S HN 1.060 nan 8.310 nan 0.000 0.477 253 A N 1.181 124.051 122.820 0.082 0.000 1.877 253 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 253 A C 2.341 180.201 177.584 0.460 0.000 1.186 253 A CA 1.609 53.810 52.037 0.275 0.000 0.620 253 A CB -0.877 18.378 19.000 0.424 0.000 0.822 253 A HN 0.366 nan 8.150 nan 0.000 0.443 254 V N 0.581 120.673 119.914 0.296 0.000 2.515 254 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 254 V C 2.409 178.485 176.094 -0.030 0.000 1.058 254 V CA 1.390 63.745 62.300 0.091 0.000 1.064 254 V CB -0.727 31.055 31.823 -0.069 0.000 0.675 254 V HN 0.480 nan 8.190 nan 0.000 0.461 255 I N 0.016 120.569 120.570 -0.029 0.000 2.127 255 I HA -0.249 3.921 4.170 -0.000 0.000 0.241 255 I C 2.411 178.492 176.117 -0.061 0.000 1.075 255 I CA 1.914 63.166 61.300 -0.080 0.000 1.334 255 I CB -1.047 36.940 38.000 -0.022 0.000 1.040 255 I HN 0.284 nan 8.210 nan 0.000 0.405 256 L N 0.365 121.554 121.223 -0.056 0.000 2.081 256 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 256 L C 2.416 179.289 176.870 0.005 0.000 1.080 256 L CA 1.637 56.372 54.840 -0.174 0.000 0.754 256 L CB -0.779 41.252 42.059 -0.048 0.000 0.893 256 L HN 0.455 nan 8.230 nan 0.000 0.433 257 N N 0.050 118.879 118.700 0.214 0.000 2.109 257 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 257 N C 2.042 177.626 175.510 0.124 0.000 1.034 257 N CA 0.852 54.076 53.050 0.290 0.000 0.846 257 N CB 0.159 38.858 38.487 0.353 0.000 1.010 257 N HN 0.185 nan 8.380 nan 0.000 0.425 258 R N 0.521 120.989 120.500 -0.053 0.000 2.096 258 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 258 R C 2.036 178.323 176.300 -0.023 0.000 1.127 258 R CA 0.584 56.607 56.100 -0.129 0.000 0.968 258 R CB -1.456 28.500 30.300 -0.573 0.000 0.861 258 R HN 0.380 nan 8.270 nan 0.000 0.440 259 F N 0.750 120.562 119.950 -0.229 0.000 2.043 259 F HA -0.251 4.276 4.527 -0.000 0.000 0.297 259 F C 2.000 177.571 175.800 -0.383 0.000 1.121 259 F CA 1.676 59.472 58.000 -0.340 0.000 1.199 259 F CB -0.470 38.194 39.000 -0.559 0.000 0.968 259 F HN -0.108 nan 8.300 nan 0.000 0.478 260 F N 0.268 120.276 119.950 0.096 0.000 2.134 260 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 260 F C 2.320 178.073 175.800 -0.078 0.000 1.097 260 F CA 1.261 59.228 58.000 -0.054 0.000 1.264 260 F CB -0.540 38.500 39.000 0.067 0.000 1.001 260 F HN -0.031 nan 8.300 nan 0.000 0.479 261 I N 0.108 120.781 120.570 0.172 0.000 2.113 261 I HA -0.314 3.856 4.170 -0.000 0.000 0.238 261 I C 2.330 178.496 176.117 0.081 0.000 1.070 261 I CA 1.501 62.877 61.300 0.127 0.000 1.332 261 I CB -0.544 37.521 38.000 0.108 0.000 1.044 261 I HN 0.078 nan 8.210 nan 0.000 0.402 262 I N 0.278 120.874 120.570 0.044 0.000 2.099 262 I HA -0.318 3.852 4.170 -0.000 0.000 0.239 262 I C 2.375 178.538 176.117 0.077 0.000 1.066 262 I CA 1.325 62.675 61.300 0.083 0.000 1.324 262 I CB -0.337 37.734 38.000 0.119 0.000 1.037 262 I HN 0.217 nan 8.210 nan 0.000 0.401 263 L N 0.714 121.828 121.223 -0.183 0.000 2.261 263 L HA -0.173 4.167 4.340 -0.000 0.000 0.216 263 L C 2.688 179.663 176.870 0.175 0.000 1.114 263 L CA 1.957 56.652 54.840 -0.241 0.000 0.777 263 L CB -1.334 40.121 42.059 -1.007 0.000 0.910 263 L HN 0.377 nan 8.230 nan 0.000 0.440 264 S N -2.291 113.518 115.700 0.183 0.000 2.478 264 S HA -0.014 4.456 4.470 -0.000 0.000 0.222 264 S C 1.578 176.388 174.600 0.351 0.000 1.008 264 S CA 0.205 58.662 58.200 0.428 0.000 0.928 264 S CB -0.119 63.312 63.200 0.386 0.000 0.781 264 S HN 0.509 nan 8.310 nan 0.000 0.518 265 E N -0.001 120.339 120.200 0.233 0.000 2.447 265 E HA 0.102 4.452 4.350 -0.000 0.000 0.195 265 E C 0.085 176.742 176.600 0.096 0.000 1.028 265 E CA -0.563 55.930 56.400 0.156 0.000 0.876 265 E CB 0.093 29.850 29.700 0.095 0.000 0.885 265 E HN 0.548 nan 8.360 nan 0.000 0.500 266 W N 2.664 123.863 121.300 -0.168 0.000 2.391 266 W HA -0.093 4.567 4.660 -0.000 0.000 0.339 266 W C 0.500 176.721 176.519 -0.497 0.000 1.252 266 W CA 0.506 57.561 57.345 -0.483 0.000 1.304 266 W CB 0.289 29.165 29.460 -0.975 0.000 1.179 266 W HN -0.019 nan 8.180 nan 0.000 0.567 267 N N 6.085 124.465 118.700 -0.534 0.000 3.254 267 N HA -0.011 4.729 4.740 -0.000 0.000 0.308 267 N C -0.551 174.924 175.510 -0.058 0.000 1.281 267 N CA -0.310 52.593 53.050 -0.246 0.000 1.212 267 N CB -0.619 37.702 38.487 -0.277 0.000 1.478 267 N HN 0.243 nan 8.380 nan 0.000 0.548 268 W N 1.201 122.692 121.300 0.318 0.000 2.293 268 W HA 0.080 4.740 4.660 -0.000 0.000 0.342 268 W C -1.031 175.600 176.519 0.187 0.000 1.274 268 W CA -1.320 56.211 57.345 0.310 0.000 1.290 268 W CB 0.253 29.861 29.460 0.247 0.000 1.176 268 W HN 0.361 nan 8.180 nan 0.000 0.570 269 P HA -0.016 nan 4.420 nan 0.000 0.244 269 P C -0.459 177.111 177.300 0.450 0.000 1.632 269 P CA -0.025 63.381 63.100 0.511 0.000 0.944 269 P CB 0.193 32.119 31.700 0.376 0.000 1.569 270 Q N 2.787 122.793 119.800 0.344 0.000 2.286 270 Q HA 0.089 4.429 4.340 -0.000 0.000 0.290 270 Q C -1.936 174.345 176.000 0.469 0.000 1.049 270 Q CA -0.870 55.097 55.803 0.272 0.000 0.923 270 Q CB 0.332 29.065 28.738 -0.007 0.000 1.183 270 Q HN 0.292 nan 8.270 nan 0.000 0.383 271 P HA 0.050 nan 4.420 nan 0.000 0.276 271 P C -1.173 176.267 177.300 0.233 0.000 1.244 271 P CA -0.384 62.851 63.100 0.226 0.000 0.801 271 P CB 1.048 32.736 31.700 -0.021 0.000 1.006 272 V N 3.472 123.415 119.914 0.048 0.000 2.435 272 V HA 0.672 4.792 4.120 -0.000 0.000 0.290 272 V C -0.224 175.853 176.094 -0.029 0.000 1.030 272 V CA -0.765 61.530 62.300 -0.008 0.000 0.881 272 V CB 0.364 31.987 31.823 -0.334 0.000 0.983 272 V HN 0.520 nan 8.190 nan 0.000 0.445 273 I N 4.077 124.666 120.570 0.032 0.000 2.769 273 I HA 0.481 4.651 4.170 -0.000 0.000 0.298 273 I C -0.474 175.662 176.117 0.032 0.000 1.128 273 I CA -0.973 60.333 61.300 0.010 0.000 1.031 273 I CB 2.330 40.348 38.000 0.030 0.000 1.235 273 I HN 0.433 nan 8.210 nan 0.000 0.423 274 L N 3.031 124.262 121.223 0.014 0.000 2.529 274 L HA 0.310 4.650 4.340 -0.000 0.000 0.223 274 L C 0.603 177.483 176.870 0.017 0.000 1.113 274 L CA 0.975 55.823 54.840 0.013 0.000 0.861 274 L CB -1.526 40.527 42.059 -0.011 0.000 1.012 274 L HN 0.851 nan 8.230 nan 0.000 0.461 275 K N -1.803 118.613 120.400 0.027 0.000 2.607 275 K HA 0.483 4.803 4.320 -0.000 0.000 0.287 275 K C -3.018 173.611 176.600 0.049 0.000 0.996 275 K CA -1.553 54.753 56.287 0.032 0.000 0.876 275 K CB 0.823 33.334 32.500 0.019 0.000 1.496 275 K HN -0.374 nan 8.250 nan 0.000 0.415 276 P HA 0.102 nan 4.420 nan 0.000 0.263 276 P C -0.539 176.811 177.300 0.083 0.000 1.195 276 P CA 0.013 63.153 63.100 0.067 0.000 0.762 276 P CB 0.232 31.965 31.700 0.055 0.000 0.799 277 I N 3.115 123.753 120.570 0.113 0.000 2.845 277 I HA -0.105 4.065 4.170 -0.000 0.000 0.290 277 I C 1.326 177.525 176.117 0.136 0.000 1.202 277 I CA 0.754 62.141 61.300 0.144 0.000 1.406 277 I CB -0.043 38.083 38.000 0.210 0.000 1.383 277 I HN 0.380 nan 8.210 nan 0.000 0.549 278 E N 5.038 125.325 120.200 0.144 0.000 2.351 278 E HA 0.211 4.561 4.350 -0.000 0.000 0.255 278 E C -0.516 176.189 176.600 0.175 0.000 1.188 278 E CA -0.545 55.928 56.400 0.122 0.000 0.940 278 E CB 0.921 30.675 29.700 0.090 0.000 1.094 278 E HN 0.499 nan 8.360 nan 0.000 0.474 279 D N -1.659 118.780 120.400 0.066 0.000 2.654 279 D HA 0.679 5.319 4.640 -0.000 0.000 0.255 279 D C -0.536 175.607 176.300 -0.262 0.000 1.101 279 D CA -0.377 53.658 54.000 0.059 0.000 1.116 279 D CB 2.020 42.841 40.800 0.035 0.000 1.348 279 D HN 0.523 nan 8.370 nan 0.000 0.609 280 G N -0.339 108.344 108.800 -0.194 0.000 2.320 280 G HA2 0.303 4.263 3.960 -0.000 0.000 0.296 280 G HA3 0.303 4.263 3.960 -0.000 0.000 0.296 280 G C -2.278 172.567 174.900 -0.092 0.000 1.306 280 G CA -0.557 44.286 45.100 -0.428 0.000 0.836 280 G HN 0.328 nan 8.290 nan 0.000 0.517 281 P HA 0.078 nan 4.420 nan 0.000 0.199 281 P C 0.856 178.216 177.300 0.100 0.000 1.085 281 P CA 0.314 63.425 63.100 0.017 0.000 0.924 281 P CB -0.329 31.372 31.700 0.001 0.000 0.736 282 L N -1.245 120.065 121.223 0.145 0.000 3.127 282 L HA -0.203 4.137 4.340 -0.000 0.000 0.373 282 L C 1.795 178.730 176.870 0.108 0.000 1.223 282 L CA 0.664 55.580 54.840 0.127 0.000 0.806 282 L CB -0.840 41.306 42.059 0.145 0.000 1.070 282 L HN 0.242 nan 8.230 nan 0.000 0.630 283 Q N 3.789 123.625 119.800 0.060 0.000 2.431 283 Q HA 0.265 4.605 4.340 -0.000 0.000 0.210 283 Q C 0.420 176.441 176.000 0.036 0.000 0.958 283 Q CA 0.747 56.581 55.803 0.050 0.000 0.957 283 Q CB -0.825 27.932 28.738 0.032 0.000 1.007 283 Q HN 0.588 nan 8.270 nan 0.000 0.511 284 V N -1.908 118.020 119.914 0.024 0.000 2.775 284 V HA 0.467 4.587 4.120 -0.000 0.000 0.299 284 V C 0.175 176.248 176.094 -0.035 0.000 1.062 284 V CA -1.228 61.053 62.300 -0.032 0.000 1.063 284 V CB 0.919 32.689 31.823 -0.088 0.000 0.994 284 V HN 0.537 nan 8.190 nan 0.000 0.483 285 R N 2.293 122.735 120.500 -0.097 0.000 2.490 285 R HA 0.606 4.946 4.340 -0.000 0.000 0.280 285 R C -0.732 175.506 176.300 -0.103 0.000 1.077 285 R CA -0.387 55.626 56.100 -0.146 0.000 1.065 285 R CB 1.410 31.434 30.300 -0.461 0.000 1.003 285 R HN 0.712 nan 8.270 nan 0.000 0.470 286 V N 2.395 122.318 119.914 0.016 0.000 2.769 286 V HA 0.174 4.294 4.120 -0.000 0.000 0.312 286 V C -0.478 175.719 176.094 0.172 0.000 1.058 286 V CA -1.001 61.350 62.300 0.087 0.000 0.952 286 V CB 1.684 33.607 31.823 0.165 0.000 1.019 286 V HN 0.759 nan 8.190 nan 0.000 0.445 287 W N 5.158 126.492 121.300 0.056 0.000 2.417 287 W HA 0.216 4.876 4.660 -0.000 0.000 0.332 287 W C 0.364 176.981 176.519 0.164 0.000 1.413 287 W CA 0.715 58.124 57.345 0.107 0.000 1.299 287 W CB 0.110 29.634 29.460 0.106 0.000 1.304 287 W HN 0.657 nan 8.180 nan 0.000 0.565 288 N N 8.053 126.504 118.700 -0.414 0.000 2.875 288 N HA 0.114 4.854 4.740 -0.000 0.000 0.253 288 N C -2.109 173.079 175.510 -0.537 0.000 1.296 288 N CA -1.398 51.425 53.050 -0.378 0.000 0.816 288 N CB 1.547 40.010 38.487 -0.039 0.000 1.504 288 N HN 0.176 nan 8.380 nan 0.000 0.582 289 P HA -0.068 nan 4.420 nan 0.000 0.234 289 P C 0.811 177.937 177.300 -0.291 0.000 1.167 289 P CA 0.719 63.500 63.100 -0.531 0.000 0.763 289 P CB 0.651 32.054 31.700 -0.496 0.000 0.835 290 K N 0.153 120.393 120.400 -0.266 0.000 2.137 290 K HA 0.044 4.363 4.320 -0.000 0.000 0.202 290 K C 2.024 178.474 176.600 -0.250 0.000 1.052 290 K CA 0.576 56.745 56.287 -0.197 0.000 0.961 290 K CB -0.153 32.257 32.500 -0.150 0.000 0.741 290 K HN 0.060 nan 8.250 nan 0.000 0.452 291 I N -0.097 120.241 120.570 -0.385 0.000 2.385 291 I HA -0.074 4.096 4.170 -0.000 0.000 0.244 291 I C 0.161 175.901 176.117 -0.627 0.000 1.089 291 I CA 0.273 61.205 61.300 -0.613 0.000 1.410 291 I CB 0.058 37.407 38.000 -1.086 0.000 1.117 291 I HN -0.040 nan 8.210 nan 0.000 0.429 292 Y N 0.645 120.843 120.300 -0.170 0.000 2.335 292 Y HA 0.541 5.091 4.550 -0.000 0.000 0.339 292 Y C 1.198 176.996 175.900 -0.171 0.000 0.987 292 Y CA -0.710 57.298 58.100 -0.153 0.000 1.140 292 Y CB 0.939 39.310 38.460 -0.149 0.000 1.173 292 Y HN -0.028 nan 8.280 nan 0.000 0.486 293 A N 2.825 125.651 122.820 0.011 0.000 1.884 293 A HA -0.333 3.987 4.320 -0.000 0.000 0.219 293 A C 2.252 179.812 177.584 -0.040 0.000 1.197 293 A CA 2.823 54.846 52.037 -0.024 0.000 0.637 293 A CB -1.334 17.665 19.000 -0.002 0.000 0.827 293 A HN 0.932 nan 8.150 nan 0.000 0.450 294 Q N -0.727 119.069 119.800 -0.007 0.000 2.217 294 Q HA -0.310 4.029 4.340 -0.000 0.000 0.209 294 Q C 1.663 177.532 176.000 -0.219 0.000 0.988 294 Q CA 2.282 58.080 55.803 -0.009 0.000 0.878 294 Q CB -1.024 27.744 28.738 0.051 0.000 0.909 294 Q HN 0.780 nan 8.270 nan 0.000 0.424 295 D N -1.004 119.214 120.400 -0.304 0.000 2.289 295 D HA -0.003 4.637 4.640 -0.000 0.000 0.207 295 D C 1.792 177.841 176.300 -0.419 0.000 0.966 295 D CA 0.823 54.457 54.000 -0.609 0.000 0.868 295 D CB -0.173 40.218 40.800 -0.681 0.000 0.943 295 D HN 0.605 nan 8.370 nan 0.000 0.514 296 R N 0.778 121.137 120.500 -0.236 0.000 2.280 296 R HA -0.035 4.305 4.340 -0.000 0.000 0.207 296 R C 1.389 177.677 176.300 -0.021 0.000 1.043 296 R CA 0.984 57.022 56.100 -0.104 0.000 1.006 296 R CB 0.163 30.416 30.300 -0.080 0.000 0.885 296 R HN 0.106 nan 8.270 nan 0.000 0.467 297 S N -0.933 114.738 115.700 -0.048 0.000 2.556 297 S HA 0.085 4.555 4.470 -0.000 0.000 0.216 297 S C -0.040 174.646 174.600 0.144 0.000 0.970 297 S CA -0.575 57.650 58.200 0.040 0.000 0.912 297 S CB -0.048 63.171 63.200 0.032 0.000 0.790 297 S HN 0.197 nan 8.310 nan 0.000 0.504 298 H N 2.727 121.885 119.070 0.147 0.000 3.004 298 H HA 0.279 4.835 4.556 -0.000 0.000 0.316 298 H C 1.264 176.655 175.328 0.105 0.000 1.014 298 H CA 0.045 56.168 56.048 0.126 0.000 1.454 298 H CB 0.449 30.376 29.762 0.275 0.000 1.472 298 H HN 0.372 nan 8.280 nan 0.000 0.571 299 R N 2.209 122.781 120.500 0.121 0.000 2.127 299 R HA 0.151 4.491 4.340 -0.000 0.000 0.217 299 R C 0.192 176.517 176.300 0.041 0.000 1.074 299 R CA 0.897 57.032 56.100 0.060 0.000 0.991 299 R CB 0.422 30.692 30.300 -0.050 0.000 0.895 299 R HN 0.446 nan 8.270 nan 0.000 0.450 300 M N 1.008 120.558 119.600 -0.084 0.000 1.949 300 M HA 0.308 4.788 4.480 -0.000 0.000 0.234 300 M C -2.639 173.621 176.300 -0.066 0.000 0.855 300 M CA -1.841 53.297 55.300 -0.271 0.000 0.800 300 M CB 2.627 34.685 32.600 -0.904 0.000 1.697 300 M HN -0.313 nan 8.290 nan 0.000 0.357 301 P HA 0.216 nan 4.420 nan 0.000 0.282 301 P C -0.785 176.469 177.300 -0.077 0.000 1.262 301 P CA -0.264 62.838 63.100 0.004 0.000 0.773 301 P CB 0.966 32.678 31.700 0.020 0.000 0.879 302 V N 5.623 125.418 119.914 -0.198 0.000 2.325 302 V HA 0.272 4.391 4.120 -0.000 0.000 0.280 302 V C 0.079 176.022 176.094 -0.252 0.000 1.016 302 V CA -0.607 61.580 62.300 -0.189 0.000 0.818 302 V CB 0.957 32.673 31.823 -0.178 0.000 1.019 302 V HN 0.395 nan 8.190 nan 0.000 0.434 303 I N 3.812 124.210 120.570 -0.285 0.000 2.365 303 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 303 I C 1.072 177.103 176.117 -0.144 0.000 1.004 303 I CA -0.040 61.084 61.300 -0.293 0.000 1.311 303 I CB 1.571 39.342 38.000 -0.381 0.000 1.401 303 I HN 0.669 nan 8.210 nan 0.000 0.491 304 T N 4.403 118.892 114.554 -0.107 0.000 2.901 304 T HA 0.193 4.543 4.350 -0.000 0.000 0.301 304 T C -1.400 173.283 174.700 -0.028 0.000 1.012 304 T CA -1.145 60.921 62.100 -0.056 0.000 1.135 304 T CB 0.988 69.827 68.868 -0.049 0.000 0.936 304 T HN 0.502 nan 8.240 nan 0.000 0.539 305 P HA 0.090 nan 4.420 nan 0.000 0.222 305 P C 0.534 177.848 177.300 0.024 0.000 1.153 305 P CA 0.346 63.449 63.100 0.004 0.000 0.798 305 P CB -0.057 31.639 31.700 -0.007 0.000 0.796 306 A N 0.272 123.099 122.820 0.011 0.000 2.401 306 A HA 0.151 4.471 4.320 -0.000 0.000 0.259 306 A C -0.409 177.210 177.584 0.059 0.000 1.103 306 A CA -0.433 51.622 52.037 0.030 0.000 0.789 306 A CB -0.670 18.327 19.000 -0.006 0.000 1.035 306 A HN 0.172 nan 8.150 nan 0.000 0.491 307 Y N 5.152 125.444 120.300 -0.013 0.000 2.620 307 Y HA 0.349 4.899 4.550 -0.000 0.000 0.330 307 Y C -1.931 173.961 175.900 -0.015 0.000 1.186 307 Y CA -1.383 56.716 58.100 -0.001 0.000 1.467 307 Y CB 0.627 39.086 38.460 -0.002 0.000 1.262 307 Y HN 0.485 nan 8.280 nan 0.000 0.550 308 P HA 0.152 nan 4.420 nan 0.000 0.297 308 P C -0.950 176.230 177.300 -0.200 0.000 1.319 308 P CA -0.439 62.248 63.100 -0.689 0.000 0.810 308 P CB 1.376 32.587 31.700 -0.816 0.000 0.947 309 S N 3.644 119.327 115.700 -0.028 0.000 2.546 309 S HA 0.164 4.634 4.470 -0.000 0.000 0.290 309 S C 0.456 175.104 174.600 0.079 0.000 1.290 309 S CA 0.276 58.502 58.200 0.043 0.000 1.069 309 S CB -0.290 62.983 63.200 0.121 0.000 0.846 309 S HN 0.449 nan 8.310 nan 0.000 0.495 310 M N 1.664 121.281 119.600 0.029 0.000 2.727 310 M HA 0.376 4.855 4.480 -0.000 0.000 0.300 310 M C -0.655 175.621 176.300 -0.040 0.000 1.246 310 M CA -0.589 54.750 55.300 0.064 0.000 0.835 310 M CB 1.926 34.533 32.600 0.012 0.000 1.755 310 M HN 0.617 nan 8.290 nan 0.000 0.473 311 C N 1.676 120.975 119.300 -0.001 0.000 2.281 311 C HA 0.621 5.081 4.460 -0.000 0.000 0.336 311 C C 1.392 176.287 174.990 -0.159 0.000 1.217 311 C CA -0.220 58.688 59.018 -0.182 0.000 1.730 311 C CB -0.625 27.040 27.740 -0.125 0.000 2.338 311 C HN 0.934 nan 8.230 nan 0.000 0.521 312 A N 3.809 126.522 122.820 -0.178 0.000 2.168 312 A HA 0.019 4.339 4.320 -0.000 0.000 0.215 312 A C 1.732 179.202 177.584 -0.190 0.000 1.152 312 A CA 1.690 53.636 52.037 -0.153 0.000 0.716 312 A CB -0.387 18.530 19.000 -0.139 0.000 0.794 312 A HN 1.056 nan 8.150 nan 0.000 0.465 313 T N -4.394 110.014 114.554 -0.243 0.000 3.215 313 T HA 0.190 4.540 4.350 -0.000 0.000 0.271 313 T C 1.083 175.603 174.700 -0.299 0.000 1.012 313 T CA 0.407 62.342 62.100 -0.275 0.000 0.899 313 T CB -0.490 68.189 68.868 -0.316 0.000 1.089 313 T HN 0.551 nan 8.240 nan 0.000 0.552 314 H N 3.084 121.906 119.070 -0.413 0.000 2.368 314 H HA -0.203 4.353 4.556 -0.000 0.000 0.292 314 H C 1.957 177.138 175.328 -0.245 0.000 1.117 314 H CA 2.443 58.211 56.048 -0.466 0.000 1.231 314 H CB -0.257 29.326 29.762 -0.297 0.000 1.359 314 H HN 0.265 nan 8.280 nan 0.000 0.490 315 N N 0.597 119.144 118.700 -0.255 0.000 2.205 315 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 315 N C 0.314 175.638 175.510 -0.309 0.000 1.015 315 N CA 0.977 53.869 53.050 -0.264 0.000 0.862 315 N CB -0.348 38.039 38.487 -0.166 0.000 0.986 315 N HN 0.422 nan 8.380 nan 0.000 0.429 316 I N 1.639 122.016 120.570 -0.321 0.000 2.989 316 I HA -0.171 3.999 4.170 -0.000 0.000 0.311 316 I C 1.193 177.144 176.117 -0.277 0.000 1.221 316 I CA 0.476 61.578 61.300 -0.331 0.000 1.449 316 I CB 0.155 37.955 38.000 -0.333 0.000 1.325 316 I HN 0.193 nan 8.210 nan 0.000 0.557 317 T N 1.187 115.576 114.554 -0.275 0.000 2.870 317 T HA 0.281 4.631 4.350 -0.000 0.000 0.277 317 T C 0.658 175.253 174.700 -0.175 0.000 1.000 317 T CA -0.718 61.262 62.100 -0.200 0.000 0.982 317 T CB 1.736 70.493 68.868 -0.185 0.000 1.249 317 T HN 0.542 nan 8.240 nan 0.000 0.589 318 E N 0.182 120.309 120.200 -0.121 0.000 2.204 318 E HA 0.009 4.359 4.350 -0.000 0.000 0.194 318 E C 2.180 178.718 176.600 -0.105 0.000 0.989 318 E CA 1.206 57.551 56.400 -0.093 0.000 0.824 318 E CB -0.581 29.086 29.700 -0.055 0.000 0.756 318 E HN 0.579 nan 8.360 nan 0.000 0.477 319 S N -0.908 114.717 115.700 -0.126 0.000 2.362 319 S HA -0.108 4.362 4.470 -0.000 0.000 0.221 319 S C 1.987 176.480 174.600 -0.177 0.000 1.032 319 S CA 1.484 59.609 58.200 -0.126 0.000 0.973 319 S CB -0.499 62.633 63.200 -0.113 0.000 0.849 319 S HN 0.648 nan 8.310 nan 0.000 0.465 320 T N 0.709 115.096 114.554 -0.278 0.000 2.881 320 T HA -0.036 4.314 4.350 -0.000 0.000 0.270 320 T C 1.650 176.201 174.700 -0.249 0.000 1.068 320 T CA 1.216 63.074 62.100 -0.404 0.000 1.131 320 T CB -0.273 68.048 68.868 -0.911 0.000 0.871 320 T HN 0.296 nan 8.240 nan 0.000 0.479 321 K N 1.351 121.610 120.400 -0.234 0.000 2.026 321 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 321 K C 2.387 178.908 176.600 -0.131 0.000 1.048 321 K CA 1.255 57.414 56.287 -0.214 0.000 0.929 321 K CB -0.132 32.251 32.500 -0.194 0.000 0.713 321 K HN 0.348 nan 8.250 nan 0.000 0.439 322 K N 0.315 120.665 120.400 -0.083 0.000 2.032 322 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 322 K C 2.102 178.698 176.600 -0.007 0.000 1.048 322 K CA 1.627 57.902 56.287 -0.021 0.000 0.927 322 K CB -0.224 32.273 32.500 -0.004 0.000 0.712 322 K HN 0.006 nan 8.250 nan 0.000 0.441 323 V N 2.104 121.994 119.914 -0.040 0.000 2.282 323 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 323 V C 2.266 178.369 176.094 0.016 0.000 1.057 323 V CA 1.820 64.111 62.300 -0.015 0.000 1.032 323 V CB -0.511 31.248 31.823 -0.107 0.000 0.645 323 V HN 0.280 nan 8.190 nan 0.000 0.447 324 I N -0.576 119.981 120.570 -0.021 0.000 2.208 324 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 324 I C 2.342 178.267 176.117 -0.320 0.000 1.097 324 I CA 1.587 62.778 61.300 -0.182 0.000 1.363 324 I CB -0.343 37.502 38.000 -0.259 0.000 1.051 324 I HN 0.264 nan 8.210 nan 0.000 0.413 325 L N -0.168 121.003 121.223 -0.086 0.000 2.056 325 L HA -0.234 4.106 4.340 -0.000 0.000 0.207 325 L C 2.660 179.653 176.870 0.205 0.000 1.078 325 L CA 1.382 56.308 54.840 0.144 0.000 0.749 325 L CB -0.606 41.568 42.059 0.191 0.000 0.901 325 L HN 0.283 nan 8.230 nan 0.000 0.433 326 Q N -0.269 119.613 119.800 0.135 0.000 2.077 326 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 326 Q C 2.201 178.321 176.000 0.200 0.000 0.989 326 Q CA 1.637 57.533 55.803 0.155 0.000 0.853 326 Q CB -0.031 28.782 28.738 0.125 0.000 0.907 326 Q HN 0.382 nan 8.270 nan 0.000 0.418 327 E N -0.030 120.293 120.200 0.206 0.000 2.153 327 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 327 E C 1.779 178.729 176.600 0.584 0.000 0.988 327 E CA 0.933 57.542 56.400 0.349 0.000 0.811 327 E CB -0.224 29.657 29.700 0.301 0.000 0.746 327 E HN 0.456 nan 8.360 nan 0.000 0.466 328 F N 0.406 120.640 119.950 0.473 0.000 2.113 328 F HA -0.187 4.340 4.527 -0.000 0.000 0.297 328 F C 2.450 178.379 175.800 0.215 0.000 1.103 328 F CA 0.375 58.652 58.000 0.461 0.000 1.248 328 F CB -0.067 39.214 39.000 0.469 0.000 0.999 328 F HN -0.115 nan 8.300 nan 0.000 0.475 329 V N 0.560 120.707 119.914 0.387 0.000 2.343 329 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 329 V C 2.297 178.457 176.094 0.110 0.000 1.051 329 V CA 2.045 64.480 62.300 0.224 0.000 1.036 329 V CB -0.764 31.176 31.823 0.194 0.000 0.654 329 V HN 0.295 nan 8.190 nan 0.000 0.451 330 R N 0.506 121.067 120.500 0.102 0.000 2.159 330 R HA -0.130 4.210 4.340 -0.000 0.000 0.237 330 R C 2.167 178.400 176.300 -0.112 0.000 1.131 330 R CA 1.678 57.795 56.100 0.029 0.000 0.982 330 R CB -0.556 29.790 30.300 0.076 0.000 0.868 330 R HN 0.534 nan 8.270 nan 0.000 0.453 331 G N -0.140 108.474 108.800 -0.309 0.000 2.408 331 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.215 331 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.215 331 G C 1.350 176.001 174.900 -0.415 0.000 1.156 331 G CA 0.507 45.041 45.100 -0.943 0.000 0.793 331 G HN 0.192 nan 8.290 nan 0.000 0.535 332 V N 0.625 120.482 119.914 -0.096 0.000 2.343 332 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 332 V C 2.860 178.970 176.094 0.027 0.000 1.051 332 V CA 2.172 64.515 62.300 0.071 0.000 1.036 332 V CB -0.625 31.270 31.823 0.122 0.000 0.654 332 V HN 0.397 nan 8.190 nan 0.000 0.451 333 Q N -0.445 119.350 119.800 -0.009 0.000 2.016 333 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 333 Q C 2.286 178.254 176.000 -0.052 0.000 0.978 333 Q CA 1.802 57.597 55.803 -0.015 0.000 0.833 333 Q CB -0.191 28.542 28.738 -0.009 0.000 0.895 333 Q HN 0.570 nan 8.270 nan 0.000 0.427 334 I N 0.641 121.150 120.570 -0.101 0.000 2.233 334 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 334 I C 2.555 178.558 176.117 -0.190 0.000 1.093 334 I CA 1.537 62.750 61.300 -0.146 0.000 1.380 334 I CB -0.592 37.308 38.000 -0.166 0.000 1.067 334 I HN 0.356 nan 8.210 nan 0.000 0.413 335 T N -2.288 112.178 114.554 -0.147 0.000 2.915 335 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 335 T C 1.506 176.212 174.700 0.010 0.000 1.071 335 T CA 1.390 63.406 62.100 -0.140 0.000 1.132 335 T CB -0.761 68.193 68.868 0.143 0.000 0.878 335 T HN 0.383 nan 8.240 nan 0.000 0.479 336 N N 0.981 119.723 118.700 0.071 0.000 2.244 336 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 336 N C 1.344 176.881 175.510 0.046 0.000 1.016 336 N CA 1.045 54.171 53.050 0.126 0.000 0.866 336 N CB -0.027 38.504 38.487 0.073 0.000 0.980 336 N HN 0.360 nan 8.380 nan 0.000 0.430 337 D N 0.879 121.244 120.400 -0.058 0.000 2.149 337 D HA -0.014 4.626 4.640 -0.000 0.000 0.201 337 D C 1.868 178.055 176.300 -0.189 0.000 0.972 337 D CA 0.582 54.521 54.000 -0.102 0.000 0.835 337 D CB -0.013 40.715 40.800 -0.121 0.000 0.966 337 D HN 0.298 nan 8.370 nan 0.000 0.476 338 I N -0.052 120.303 120.570 -0.358 0.000 2.454 338 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 338 I C 1.592 177.375 176.117 -0.557 0.000 1.156 338 I CA 0.682 61.610 61.300 -0.619 0.000 1.433 338 I CB -0.142 37.167 38.000 -1.151 0.000 1.082 338 I HN -0.111 nan 8.210 nan 0.000 0.432 339 F N 0.114 119.940 119.950 -0.207 0.000 2.664 339 F HA 0.021 4.548 4.527 -0.000 0.000 0.296 339 F C 2.356 178.106 175.800 -0.083 0.000 1.125 339 F CA 0.573 58.504 58.000 -0.116 0.000 1.444 339 F CB -0.215 38.744 39.000 -0.069 0.000 1.114 339 F HN -0.119 nan 8.300 nan 0.000 0.576 340 S N -0.311 115.418 115.700 0.049 0.000 2.575 340 S HA 0.017 4.487 4.470 -0.000 0.000 0.215 340 S C 0.566 175.151 174.600 -0.026 0.000 0.966 340 S CA 0.105 58.317 58.200 0.019 0.000 0.911 340 S CB -0.326 62.878 63.200 0.006 0.000 0.780 340 S HN 0.398 nan 8.310 nan 0.000 0.514 341 N N 0.668 119.324 118.700 -0.072 0.000 2.878 341 N HA -0.168 4.572 4.740 -0.000 0.000 0.247 341 N C 0.292 175.745 175.510 -0.094 0.000 1.021 341 N CA 1.001 53.996 53.050 -0.091 0.000 0.873 341 N CB -1.042 37.417 38.487 -0.046 0.000 1.128 341 N HN 0.480 nan 8.380 nan 0.000 0.571 342 K N 0.416 120.756 120.400 -0.101 0.000 2.379 342 K HA 0.179 4.499 4.320 -0.000 0.000 0.194 342 K C 0.494 177.023 176.600 -0.118 0.000 1.031 342 K CA 0.642 56.876 56.287 -0.089 0.000 1.037 342 K CB 0.520 32.980 32.500 -0.067 0.000 0.824 342 K HN 0.179 nan 8.250 nan 0.000 0.516 343 K N 0.307 120.601 120.400 -0.177 0.000 2.509 343 K HA 0.258 4.578 4.320 -0.000 0.000 0.266 343 K C -0.919 175.497 176.600 -0.306 0.000 0.987 343 K CA -0.651 55.511 56.287 -0.209 0.000 0.868 343 K CB 2.282 34.657 32.500 -0.208 0.000 1.421 343 K HN -0.028 nan 8.250 nan 0.000 0.444 344 S N -1.091 114.441 115.700 -0.279 0.000 2.704 344 S HA 0.332 4.802 4.470 -0.000 0.000 0.305 344 S C 0.405 174.780 174.600 -0.374 0.000 1.107 344 S CA -0.768 57.237 58.200 -0.325 0.000 0.993 344 S CB 0.571 63.686 63.200 -0.141 0.000 1.110 344 S HN 0.785 nan 8.310 nan 0.000 0.534 345 W N 0.562 121.732 121.300 -0.217 0.000 2.363 345 W HA 0.011 4.671 4.660 -0.000 0.000 0.296 345 W C 2.774 179.041 176.519 -0.421 0.000 1.212 345 W CA 0.936 58.056 57.345 -0.375 0.000 1.260 345 W CB -0.561 28.753 29.460 -0.243 0.000 1.131 345 W HN 0.906 nan 8.180 nan 0.000 0.530 346 A N 0.663 123.527 122.820 0.072 0.000 1.948 346 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 346 A C 1.658 179.255 177.584 0.021 0.000 1.177 346 A CA 2.123 54.230 52.037 0.117 0.000 0.636 346 A CB -1.142 17.922 19.000 0.106 0.000 0.815 346 A HN 0.519 nan 8.150 nan 0.000 0.449 347 N N -0.627 118.033 118.700 -0.067 0.000 2.043 347 N HA -0.191 4.549 4.740 -0.000 0.000 0.193 347 N C 1.686 177.154 175.510 -0.071 0.000 1.037 347 N CA 1.391 54.396 53.050 -0.076 0.000 0.851 347 N CB -0.273 38.138 38.487 -0.128 0.000 1.027 347 N HN 0.406 nan 8.380 nan 0.000 0.422 348 L N 0.668 121.786 121.223 -0.175 0.000 2.079 348 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 348 L C 0.931 177.838 176.870 0.061 0.000 1.081 348 L CA 1.639 56.390 54.840 -0.147 0.000 0.752 348 L CB -0.467 41.394 42.059 -0.331 0.000 0.896 348 L HN 0.173 nan 8.230 nan 0.000 0.433 349 F N -0.410 119.653 119.950 0.189 0.000 2.663 349 F HA 0.190 4.717 4.527 -0.000 0.000 0.299 349 F C 0.943 176.780 175.800 0.061 0.000 1.143 349 F CA -0.700 57.386 58.000 0.143 0.000 1.387 349 F CB -0.303 38.761 39.000 0.107 0.000 1.019 349 F HN 0.049 nan 8.300 nan 0.000 0.523 350 E N 1.577 121.885 120.200 0.181 0.000 2.360 350 E HA 0.026 4.376 4.350 -0.000 0.000 0.269 350 E C 0.243 176.881 176.600 0.063 0.000 1.022 350 E CA -0.449 56.008 56.400 0.096 0.000 0.887 350 E CB 0.740 30.467 29.700 0.045 0.000 0.990 350 E HN -0.059 nan 8.360 nan 0.000 0.426 351 K N 3.718 124.147 120.400 0.048 0.000 2.469 351 K HA -0.075 4.245 4.320 -0.000 0.000 0.274 351 K C 0.214 176.838 176.600 0.040 0.000 0.983 351 K CA 0.045 56.355 56.287 0.038 0.000 0.974 351 K CB 0.305 32.836 32.500 0.052 0.000 0.913 351 K HN 0.515 nan 8.250 nan 0.000 0.493 352 N N 1.999 120.729 118.700 0.049 0.000 2.288 352 N HA -0.049 4.690 4.740 -0.000 0.000 0.237 352 N C -0.580 175.003 175.510 0.122 0.000 1.311 352 N CA -0.004 53.090 53.050 0.074 0.000 0.909 352 N CB 0.527 39.074 38.487 0.099 0.000 1.167 352 N HN 0.677 nan 8.380 nan 0.000 0.476 353 D N -1.183 119.295 120.400 0.129 0.000 2.945 353 D HA 0.042 4.682 4.640 -0.000 0.000 0.366 353 D C 0.608 177.023 176.300 0.192 0.000 1.352 353 D CA -0.621 53.497 54.000 0.196 0.000 0.810 353 D CB -0.829 40.001 40.800 0.049 0.000 1.170 353 D HN 0.409 nan 8.370 nan 0.000 0.461 354 F N 1.125 121.047 119.950 -0.047 0.000 2.043 354 F HA -0.146 4.381 4.527 -0.000 0.000 0.297 354 F C 1.192 176.801 175.800 -0.319 0.000 1.118 354 F CA 1.605 59.437 58.000 -0.281 0.000 1.202 354 F CB -0.301 38.338 39.000 -0.602 0.000 0.965 354 F HN -0.017 nan 8.300 nan 0.000 0.482 355 F N -1.406 118.429 119.950 -0.191 0.000 2.771 355 F HA -0.036 4.491 4.527 -0.000 0.000 0.299 355 F C 1.311 176.927 175.800 -0.306 0.000 1.177 355 F CA 0.367 58.046 58.000 -0.536 0.000 1.450 355 F CB -0.616 37.792 39.000 -0.987 0.000 1.114 355 F HN -0.045 nan 8.300 nan 0.000 0.587 356 F N -0.358 119.613 119.950 0.035 0.000 2.717 356 F HA 0.148 4.674 4.527 -0.000 0.000 0.297 356 F C 2.202 177.942 175.800 -0.100 0.000 1.113 356 F CA -0.101 57.923 58.000 0.041 0.000 1.319 356 F CB -0.102 38.918 39.000 0.034 0.000 1.097 356 F HN -0.157 nan 8.300 nan 0.000 0.595 357 R N -0.855 119.577 120.500 -0.114 0.000 2.246 357 R HA 0.087 4.427 4.340 -0.000 0.000 0.199 357 R C -0.495 175.395 176.300 -0.683 0.000 0.984 357 R CA 0.541 56.386 56.100 -0.426 0.000 1.015 357 R CB -0.410 29.513 30.300 -0.629 0.000 0.930 357 R HN 0.179 nan 8.270 nan 0.000 0.475 358 Y N 0.795 120.953 120.300 -0.237 0.000 2.487 358 Y HA 0.374 4.924 4.550 -0.000 0.000 0.337 358 Y C 0.900 176.582 175.900 -0.364 0.000 1.076 358 Y CA -1.166 56.691 58.100 -0.405 0.000 1.115 358 Y CB 2.105 40.064 38.460 -0.836 0.000 1.235 358 Y HN -0.281 nan 8.280 nan 0.000 0.468 359 K N 1.281 121.578 120.400 -0.172 0.000 2.365 359 K HA 0.148 4.468 4.320 -0.000 0.000 0.197 359 K C -0.934 175.096 176.600 -0.951 0.000 1.042 359 K CA 0.766 56.764 56.287 -0.482 0.000 0.987 359 K CB 0.277 32.488 32.500 -0.482 0.000 0.779 359 K HN 0.394 nan 8.250 nan 0.000 0.484 360 F N -1.150 118.703 119.950 -0.163 0.000 2.626 360 F HA 0.414 4.941 4.527 -0.000 0.000 0.311 360 F C -0.674 174.823 175.800 -0.505 0.000 1.088 360 F CA -1.272 56.571 58.000 -0.262 0.000 0.949 360 F CB 1.394 40.300 39.000 -0.156 0.000 1.322 360 F HN -0.256 nan 8.300 nan 0.000 0.461 361 Y N 0.914 121.199 120.300 -0.024 0.000 2.597 361 Y HA 0.620 5.170 4.550 -0.000 0.000 0.340 361 Y C -1.415 174.537 175.900 0.086 0.000 1.097 361 Y CA -1.111 57.027 58.100 0.063 0.000 1.037 361 Y CB 1.994 40.539 38.460 0.142 0.000 1.305 361 Y HN 0.421 nan 8.280 nan 0.000 0.463 362 L N 2.554 123.984 121.223 0.345 0.000 2.298 362 L HA 0.470 4.810 4.340 -0.000 0.000 0.284 362 L C -0.508 176.468 176.870 0.177 0.000 1.013 362 L CA -0.551 54.445 54.840 0.261 0.000 0.824 362 L CB 1.199 43.377 42.059 0.199 0.000 1.221 362 L HN 0.689 nan 8.230 nan 0.000 0.418 363 E N 4.662 124.915 120.200 0.088 0.000 2.146 363 E HA 0.406 4.756 4.350 -0.000 0.000 0.282 363 E C -1.294 175.218 176.600 -0.148 0.000 0.989 363 E CA -0.677 55.599 56.400 -0.207 0.000 0.799 363 E CB 0.942 30.565 29.700 -0.129 0.000 1.088 363 E HN 0.556 nan 8.360 nan 0.000 0.397 364 I N 3.638 124.075 120.570 -0.223 0.000 2.362 364 I HA 0.214 4.384 4.170 -0.000 0.000 0.289 364 I C -0.287 175.751 176.117 -0.131 0.000 0.994 364 I CA -0.178 61.063 61.300 -0.098 0.000 1.158 364 I CB 2.075 40.032 38.000 -0.071 0.000 1.315 364 I HN 0.327 nan 8.210 nan 0.000 0.451 365 T N 5.472 119.967 114.554 -0.099 0.000 2.841 365 T HA 0.773 5.123 4.350 -0.000 0.000 0.285 365 T C -0.443 174.109 174.700 -0.248 0.000 0.991 365 T CA -0.645 61.321 62.100 -0.223 0.000 0.966 365 T CB 1.506 70.174 68.868 -0.333 0.000 0.962 365 T HN 0.600 nan 8.240 nan 0.000 0.438 366 A N 3.542 126.217 122.820 -0.241 0.000 2.288 366 A HA 0.793 5.113 4.320 -0.000 0.000 0.320 366 A C -1.268 176.364 177.584 0.079 0.000 1.217 366 A CA -0.587 51.388 52.037 -0.103 0.000 0.840 366 A CB 0.370 19.125 19.000 -0.408 0.000 1.179 366 A HN 0.800 nan 8.150 nan 0.000 0.504 367 Y N 0.373 121.003 120.300 0.549 0.000 2.528 367 Y HA 0.735 5.285 4.550 -0.000 0.000 0.335 367 Y C 0.611 177.001 175.900 0.818 0.000 1.093 367 Y CA -0.466 57.977 58.100 0.571 0.000 1.134 367 Y CB 2.498 41.206 38.460 0.414 0.000 1.253 367 Y HN 0.543 nan 8.280 nan 0.000 0.478 368 T N 1.011 116.074 114.554 0.849 0.000 3.395 368 T HA 0.580 4.930 4.350 -0.000 0.000 0.330 368 T C -0.617 174.282 174.700 0.332 0.000 1.076 368 T CA -0.957 61.538 62.100 0.658 0.000 1.070 368 T CB 0.929 70.286 68.868 0.815 0.000 1.119 368 T HN 0.736 nan 8.240 nan 0.000 0.462 369 R N 1.451 121.858 120.500 -0.156 0.000 2.575 369 R HA 0.846 5.186 4.340 -0.000 0.000 0.281 369 R C 0.521 176.664 176.300 -0.262 0.000 1.272 369 R CA -0.011 55.839 56.100 -0.416 0.000 1.417 369 R CB 0.539 30.045 30.300 -1.324 0.000 1.121 369 R HN 1.128 nan 8.270 nan 0.000 0.583 370 G N -0.435 108.358 108.800 -0.011 0.000 2.704 370 G HA2 0.425 4.385 3.960 -0.000 0.000 0.118 370 G HA3 0.425 4.385 3.960 -0.000 0.000 0.118 370 G C -0.231 174.752 174.900 0.138 0.000 1.197 370 G CA 0.403 45.501 45.100 -0.003 0.000 1.152 370 G HN 1.227 nan 8.290 nan 0.000 0.571 371 S N -0.349 115.415 115.700 0.108 0.000 2.687 371 S HA 0.459 4.929 4.470 -0.000 0.000 0.283 371 S C 0.756 175.341 174.600 -0.024 0.000 1.170 371 S CA 0.813 59.074 58.200 0.100 0.000 1.008 371 S CB 2.002 65.250 63.200 0.080 0.000 1.026 371 S HN 0.531 nan 8.310 nan 0.000 0.541 372 D N 0.674 121.043 120.400 -0.051 0.000 2.178 372 D HA -0.081 4.559 4.640 -0.000 0.000 0.201 372 D C 2.137 178.382 176.300 -0.092 0.000 0.980 372 D CA 1.937 55.814 54.000 -0.206 0.000 0.842 372 D CB -0.271 40.526 40.800 -0.005 0.000 0.948 372 D HN 0.815 nan 8.370 nan 0.000 0.472 373 E N 0.006 120.209 120.200 0.005 0.000 2.216 373 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 373 E C 2.015 178.671 176.600 0.093 0.000 0.988 373 E CA 1.041 57.467 56.400 0.043 0.000 0.834 373 E CB -0.774 28.961 29.700 0.058 0.000 0.772 373 E HN 0.527 nan 8.360 nan 0.000 0.479 374 Q N -1.148 118.745 119.800 0.156 0.000 2.083 374 Q HA -0.085 4.255 4.340 -0.000 0.000 0.198 374 Q C 2.300 178.529 176.000 0.383 0.000 0.969 374 Q CA 1.444 57.452 55.803 0.342 0.000 0.838 374 Q CB -0.143 28.881 28.738 0.476 0.000 0.900 374 Q HN 0.779 nan 8.270 nan 0.000 0.436 375 H N 0.798 119.959 119.070 0.151 0.000 2.357 375 H HA -0.008 4.548 4.556 -0.000 0.000 0.301 375 H C 1.807 177.160 175.328 0.041 0.000 1.082 375 H CA 1.168 57.294 56.048 0.131 0.000 1.342 375 H CB -0.155 29.505 29.762 -0.170 0.000 1.389 375 H HN 0.099 nan 8.280 nan 0.000 0.511 376 L N -0.109 121.043 121.223 -0.119 0.000 2.127 376 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 376 L C 2.807 179.599 176.870 -0.130 0.000 1.089 376 L CA 1.822 56.564 54.840 -0.163 0.000 0.757 376 L CB -0.563 41.460 42.059 -0.061 0.000 0.899 376 L HN 0.514 nan 8.230 nan 0.000 0.434 377 K N -0.446 119.937 120.400 -0.027 0.000 1.995 377 K HA -0.245 4.075 4.320 -0.000 0.000 0.207 377 K C 1.743 178.315 176.600 -0.048 0.000 1.041 377 K CA 1.177 57.474 56.287 0.017 0.000 0.942 377 K CB -1.672 30.907 32.500 0.132 0.000 0.731 377 K HN 0.533 nan 8.250 nan 0.000 0.439 378 W N 2.013 123.098 121.300 -0.358 0.000 2.298 378 W HA -0.379 4.280 4.660 -0.000 0.000 0.328 378 W C 2.363 178.577 176.519 -0.507 0.000 1.259 378 W CA 3.179 60.108 57.345 -0.692 0.000 1.251 378 W CB -0.275 28.733 29.460 -0.755 0.000 1.161 378 W HN 0.462 nan 8.180 nan 0.000 0.466 379 S N 0.532 115.901 115.700 -0.551 0.000 2.383 379 S HA -0.149 4.321 4.470 -0.000 0.000 0.229 379 S C 1.985 176.283 174.600 -0.502 0.000 1.030 379 S CA 1.622 59.419 58.200 -0.672 0.000 1.002 379 S CB -1.558 61.254 63.200 -0.647 0.000 0.829 379 S HN 0.395 nan 8.310 nan 0.000 0.467 380 G N 1.395 109.969 108.800 -0.376 0.000 2.462 380 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.220 380 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.220 380 G C 1.347 176.055 174.900 -0.319 0.000 1.121 380 G CA 0.998 45.929 45.100 -0.281 0.000 0.758 380 G HN 0.514 nan 8.290 nan 0.000 0.559 381 L N 0.476 121.449 121.223 -0.417 0.000 2.049 381 L HA 0.113 4.452 4.340 -0.000 0.000 0.203 381 L C 2.893 179.451 176.870 -0.520 0.000 1.074 381 L CA 1.231 55.780 54.840 -0.485 0.000 0.749 381 L CB -0.479 41.235 42.059 -0.576 0.000 0.907 381 L HN 0.037 nan 8.230 nan 0.000 0.439 382 V N 0.318 119.827 119.914 -0.674 0.000 2.252 382 V HA -0.358 3.762 4.120 -0.000 0.000 0.249 382 V C 2.560 178.537 176.094 -0.195 0.000 1.056 382 V CA 2.190 64.180 62.300 -0.517 0.000 1.022 382 V CB -0.920 30.513 31.823 -0.651 0.000 0.641 382 V HN 0.656 nan 8.190 nan 0.000 0.445 383 E N 1.087 121.146 120.200 -0.234 0.000 2.048 383 E HA -0.330 4.020 4.350 -0.000 0.000 0.202 383 E C 2.345 178.810 176.600 -0.225 0.000 1.021 383 E CA 2.448 58.758 56.400 -0.150 0.000 0.825 383 E CB -0.310 29.276 29.700 -0.191 0.000 0.756 383 E HN 0.732 nan 8.360 nan 0.000 0.454 384 S N 0.211 115.744 115.700 -0.278 0.000 2.402 384 S HA -0.168 4.302 4.470 -0.000 0.000 0.233 384 S C 1.717 176.215 174.600 -0.170 0.000 1.030 384 S CA 1.252 59.289 58.200 -0.271 0.000 1.003 384 S CB -0.230 62.818 63.200 -0.253 0.000 0.813 384 S HN 0.177 nan 8.310 nan 0.000 0.477 385 K N 0.916 121.261 120.400 -0.091 0.000 2.305 385 K HA 0.260 4.580 4.320 -0.000 0.000 0.199 385 K C 2.087 178.844 176.600 0.262 0.000 1.047 385 K CA 0.610 56.938 56.287 0.068 0.000 0.976 385 K CB -0.808 31.697 32.500 0.009 0.000 0.765 385 K HN 0.362 nan 8.250 nan 0.000 0.474 386 V N 1.857 121.889 119.914 0.196 0.000 2.363 386 V HA -0.311 3.809 4.120 -0.000 0.000 0.254 386 V C 2.611 178.702 176.094 -0.005 0.000 1.074 386 V CA 2.063 64.370 62.300 0.011 0.000 1.069 386 V CB -0.569 31.330 31.823 0.126 0.000 0.659 386 V HN 0.361 nan 8.190 nan 0.000 0.455 387 R N -0.606 119.904 120.500 0.017 0.000 2.117 387 R HA -0.185 4.155 4.340 -0.000 0.000 0.243 387 R C 2.161 178.450 176.300 -0.018 0.000 1.143 387 R CA 1.560 57.649 56.100 -0.019 0.000 0.968 387 R CB -0.186 30.074 30.300 -0.067 0.000 0.863 387 R HN 0.348 nan 8.270 nan 0.000 0.444 388 L N 0.630 121.871 121.223 0.029 0.000 2.046 388 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 388 L C 2.291 179.185 176.870 0.040 0.000 1.077 388 L CA 1.245 56.115 54.840 0.050 0.000 0.747 388 L CB -1.399 40.723 42.059 0.106 0.000 0.896 388 L HN 0.307 nan 8.230 nan 0.000 0.432 389 L N -0.534 120.700 121.223 0.018 0.000 2.046 389 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 389 L C 2.471 179.294 176.870 -0.077 0.000 1.077 389 L CA 1.463 56.262 54.840 -0.068 0.000 0.747 389 L CB -0.671 41.173 42.059 -0.358 0.000 0.896 389 L HN -0.002 nan 8.230 nan 0.000 0.432 390 V N -0.116 119.750 119.914 -0.081 0.000 2.392 390 V HA -0.353 3.767 4.120 -0.000 0.000 0.249 390 V C 2.567 178.622 176.094 -0.065 0.000 1.059 390 V CA 2.312 64.570 62.300 -0.070 0.000 1.051 390 V CB -0.636 31.149 31.823 -0.064 0.000 0.658 390 V HN 0.485 nan 8.190 nan 0.000 0.455 391 M N -1.280 118.289 119.600 -0.052 0.000 2.200 391 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 391 M C 2.289 178.572 176.300 -0.028 0.000 1.066 391 M CA 1.427 56.701 55.300 -0.044 0.000 1.127 391 M CB -0.425 32.153 32.600 -0.036 0.000 1.379 391 M HN 0.160 nan 8.290 nan 0.000 0.420 392 K N 0.434 120.825 120.400 -0.014 0.000 2.062 392 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 392 K C 2.012 178.602 176.600 -0.017 0.000 1.051 392 K CA 1.084 57.370 56.287 -0.003 0.000 0.941 392 K CB -0.423 32.088 32.500 0.019 0.000 0.719 392 K HN 0.195 nan 8.250 nan 0.000 0.440 393 L N 2.251 123.454 121.223 -0.034 0.000 2.027 393 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 393 L C 2.190 179.019 176.870 -0.068 0.000 1.074 393 L CA 1.803 56.613 54.840 -0.051 0.000 0.745 393 L CB -0.830 41.189 42.059 -0.067 0.000 0.898 393 L HN 0.324 nan 8.230 nan 0.000 0.433 394 E N -1.747 118.412 120.200 -0.069 0.000 2.472 394 E HA -0.107 4.243 4.350 -0.000 0.000 0.200 394 E C 1.437 178.005 176.600 -0.053 0.000 1.046 394 E CA 0.856 57.212 56.400 -0.074 0.000 0.871 394 E CB -0.160 29.496 29.700 -0.074 0.000 0.806 394 E HN 0.336 nan 8.360 nan 0.000 0.533 395 V N 1.195 121.087 119.914 -0.038 0.000 3.644 395 V HA 0.075 4.195 4.120 -0.000 0.000 0.267 395 V C 0.882 176.967 176.094 -0.015 0.000 1.277 395 V CA 0.057 62.344 62.300 -0.022 0.000 1.096 395 V CB -0.274 31.541 31.823 -0.013 0.000 0.828 395 V HN 0.315 nan 8.190 nan 0.000 0.446 396 L N -0.429 120.782 121.223 -0.019 0.000 2.466 396 L HA 0.771 5.111 4.340 -0.000 0.000 0.257 396 L C 1.384 178.253 176.870 -0.002 0.000 1.189 396 L CA 0.538 55.374 54.840 -0.007 0.000 0.813 396 L CB -0.244 41.814 42.059 -0.003 0.000 1.118 396 L HN 0.095 nan 8.230 nan 0.000 0.471 397 A N 2.233 125.060 122.820 0.012 0.000 2.670 397 A HA -0.200 4.119 4.320 -0.000 0.000 0.276 397 A C 1.305 178.904 177.584 0.025 0.000 1.338 397 A CA 2.387 54.437 52.037 0.023 0.000 1.103 397 A CB -2.092 16.930 19.000 0.035 0.000 0.491 397 A HN 1.748 nan 8.150 nan 0.000 0.413 398 G N -1.511 107.317 108.800 0.047 0.000 4.662 398 G HA2 0.513 4.473 3.960 -0.000 0.000 0.328 398 G HA3 0.513 4.473 3.960 -0.000 0.000 0.328 398 G C -0.410 174.510 174.900 0.035 0.000 1.451 398 G CA -0.245 44.887 45.100 0.054 0.000 1.154 398 G HN 0.384 nan 8.290 nan 0.000 0.547 399 I N 1.325 121.862 120.570 -0.056 0.000 2.330 399 I HA 0.239 4.409 4.170 -0.000 0.000 0.286 399 I C 0.904 176.944 176.117 -0.129 0.000 1.025 399 I CA -0.378 60.801 61.300 -0.202 0.000 1.197 399 I CB 1.666 39.528 38.000 -0.230 0.000 1.358 399 I HN 0.304 nan 8.210 nan 0.000 0.467 400 K N 4.867 125.204 120.400 -0.106 0.000 2.148 400 K HA 0.153 4.472 4.320 -0.000 0.000 0.204 400 K C 0.484 177.050 176.600 -0.056 0.000 1.050 400 K CA 1.115 57.378 56.287 -0.040 0.000 0.942 400 K CB 0.686 33.195 32.500 0.015 0.000 0.724 400 K HN 0.504 nan 8.250 nan 0.000 0.446 401 I N -1.834 118.666 120.570 -0.117 0.000 2.842 401 I HA 0.192 4.362 4.170 -0.000 0.000 0.296 401 I C -2.173 173.837 176.117 -0.178 0.000 1.538 401 I CA -0.721 60.513 61.300 -0.109 0.000 0.994 401 I CB 2.085 40.060 38.000 -0.042 0.000 1.372 401 I HN -0.174 nan 8.210 nan 0.000 0.478 402 A N 4.728 127.471 122.820 -0.127 0.000 2.646 402 A HA 0.379 4.698 4.320 -0.000 0.000 0.312 402 A C -1.266 176.313 177.584 -0.008 0.000 1.245 402 A CA -0.252 51.718 52.037 -0.112 0.000 0.755 402 A CB -0.050 18.890 19.000 -0.099 0.000 1.132 402 A HN 0.810 nan 8.150 nan 0.000 0.458 403 H N 4.715 123.718 119.070 -0.112 0.000 2.820 403 H HA 0.322 4.878 4.556 -0.000 0.000 0.278 403 H C -2.380 173.072 175.328 0.207 0.000 1.142 403 H CA -2.057 54.039 56.048 0.080 0.000 1.346 403 H CB 0.873 30.711 29.762 0.127 0.000 1.438 403 H HN 0.386 nan 8.280 nan 0.000 0.473 404 P HA -0.024 nan 4.420 nan 0.000 0.282 404 P C -0.427 176.866 177.300 -0.011 0.000 1.274 404 P CA -0.171 63.038 63.100 0.182 0.000 0.770 404 P CB 0.606 32.384 31.700 0.130 0.000 0.867 405 F N 3.852 123.444 119.950 -0.595 0.000 2.485 405 F HA 0.121 4.648 4.527 -0.000 0.000 0.327 405 F C 1.553 176.834 175.800 -0.864 0.000 1.203 405 F CA 0.511 57.879 58.000 -1.053 0.000 1.295 405 F CB 0.644 38.922 39.000 -1.203 0.000 1.191 405 F HN 0.345 nan 8.300 nan 0.000 0.588 406 T N -0.360 113.193 114.554 -1.670 0.000 3.054 406 T HA 0.174 4.524 4.350 -0.000 0.000 0.255 406 T C 0.131 174.328 174.700 -0.838 0.000 1.035 406 T CA -0.337 61.028 62.100 -1.226 0.000 0.941 406 T CB -0.253 68.237 68.868 -0.630 0.000 1.026 406 T HN 0.417 nan 8.240 nan 0.000 0.533 407 K N 2.707 122.546 120.400 -0.935 0.000 2.604 407 K HA 0.356 4.676 4.320 -0.000 0.000 0.247 407 K C -3.184 173.290 176.600 -0.210 0.000 0.956 407 K CA -2.124 53.919 56.287 -0.408 0.000 0.896 407 K CB 2.105 34.365 32.500 -0.400 0.000 1.131 407 K HN 0.034 nan 8.250 nan 0.000 0.440 408 P HA 0.100 nan 4.420 nan 0.000 0.270 408 P C -0.752 176.493 177.300 -0.091 0.000 1.223 408 P CA -0.157 62.976 63.100 0.055 0.000 0.785 408 P CB 0.335 32.092 31.700 0.095 0.000 0.923 409 F N 0.835 120.858 119.950 0.122 0.000 2.334 409 F HA 0.207 4.734 4.527 -0.000 0.000 0.367 409 F C 1.170 177.013 175.800 0.072 0.000 1.115 409 F CA -0.342 57.713 58.000 0.091 0.000 1.116 409 F CB 0.643 39.695 39.000 0.086 0.000 1.230 409 F HN 0.084 nan 8.300 nan 0.000 0.484 410 E N 2.300 122.597 120.200 0.162 0.000 2.283 410 E HA 0.506 4.856 4.350 -0.000 0.000 0.278 410 E C -0.379 176.290 176.600 0.114 0.000 1.027 410 E CA -0.303 56.193 56.400 0.159 0.000 0.843 410 E CB 1.691 31.473 29.700 0.137 0.000 1.062 410 E HN 0.543 nan 8.360 nan 0.000 0.401 411 S N 0.291 116.043 115.700 0.086 0.000 2.578 411 S HA 0.496 4.966 4.470 -0.000 0.000 0.285 411 S C -0.806 173.720 174.600 -0.124 0.000 1.126 411 S CA -0.910 57.261 58.200 -0.048 0.000 0.878 411 S CB 1.036 64.189 63.200 -0.078 0.000 1.091 411 S HN 0.453 nan 8.310 nan 0.000 0.450 412 S N 1.604 117.124 115.700 -0.301 0.000 2.599 412 S HA 0.890 5.360 4.470 -0.000 0.000 0.287 412 S C -1.589 172.719 174.600 -0.488 0.000 1.105 412 S CA -0.743 57.223 58.200 -0.390 0.000 0.899 412 S CB 0.951 63.745 63.200 -0.677 0.000 1.100 412 S HN 0.808 nan 8.310 nan 0.000 0.482 413 Y N -0.869 119.334 120.300 -0.163 0.000 2.536 413 Y HA 0.498 5.048 4.550 -0.000 0.000 0.347 413 Y C 0.042 175.882 175.900 -0.100 0.000 1.000 413 Y CA -1.151 56.895 58.100 -0.090 0.000 1.051 413 Y CB 1.450 39.895 38.460 -0.026 0.000 1.259 413 Y HN 0.844 nan 8.280 nan 0.000 0.468 414 C N 1.908 121.274 119.300 0.110 0.000 2.619 414 C HA 0.183 4.643 4.460 -0.000 0.000 0.389 414 C C 0.505 175.535 174.990 0.067 0.000 1.314 414 C CA -0.491 58.555 59.018 0.047 0.000 1.678 414 C CB -1.517 26.246 27.740 0.037 0.000 2.398 414 C HN 0.806 nan 8.230 nan 0.000 0.582 415 C N 9.408 128.737 119.300 0.049 0.000 2.288 415 C HA 0.325 4.785 4.460 -0.000 0.000 0.328 415 C C -0.159 174.848 174.990 0.029 0.000 1.071 415 C CA -1.461 57.590 59.018 0.055 0.000 1.594 415 C CB -0.597 27.199 27.740 0.094 0.000 1.700 415 C HN 0.809 nan 8.230 nan 0.000 0.436 416 P HA 0.047 nan 4.420 nan 0.000 0.216 416 P C 0.814 178.120 177.300 0.009 0.000 1.153 416 P CA 1.621 64.728 63.100 0.012 0.000 0.844 416 P CB 0.138 31.845 31.700 0.011 0.000 0.787 417 T N -0.978 113.585 114.554 0.015 0.000 2.884 417 T HA 0.294 4.644 4.350 -0.000 0.000 0.277 417 T C 1.058 175.775 174.700 0.029 0.000 0.976 417 T CA -0.304 61.805 62.100 0.015 0.000 0.956 417 T CB 0.799 69.674 68.868 0.011 0.000 1.113 417 T HN -0.206 nan 8.240 nan 0.000 0.554 418 E N -0.131 120.086 120.200 0.029 0.000 2.166 418 E HA 0.131 4.481 4.350 -0.000 0.000 0.192 418 E C 2.302 178.942 176.600 0.067 0.000 0.967 418 E CA 1.469 57.900 56.400 0.051 0.000 0.840 418 E CB -0.242 29.477 29.700 0.031 0.000 0.795 418 E HN 0.811 nan 8.360 nan 0.000 0.470 419 D N 0.220 120.640 120.400 0.032 0.000 2.310 419 D HA -0.129 4.511 4.640 -0.000 0.000 0.212 419 D C 1.136 177.438 176.300 0.003 0.000 0.965 419 D CA 1.252 55.259 54.000 0.012 0.000 0.879 419 D CB -0.467 40.333 40.800 0.000 0.000 0.921 419 D HN 0.092 nan 8.370 nan 0.000 0.510 420 D N -1.620 118.794 120.400 0.024 0.000 2.249 420 D HA 0.016 4.656 4.640 -0.000 0.000 0.205 420 D C 1.512 177.832 176.300 0.034 0.000 0.962 420 D CA 0.401 54.407 54.000 0.011 0.000 0.860 420 D CB -0.289 40.522 40.800 0.019 0.000 0.955 420 D HN 0.606 nan 8.370 nan 0.000 0.505 421 Y N 1.645 121.909 120.300 -0.061 0.000 2.153 421 Y HA 0.026 4.576 4.550 -0.000 0.000 0.289 421 Y C 1.218 177.051 175.900 -0.112 0.000 1.119 421 Y CA 0.947 59.005 58.100 -0.070 0.000 1.116 421 Y CB 0.026 38.457 38.460 -0.048 0.000 1.004 421 Y HN -0.235 nan 8.280 nan 0.000 0.501 422 E N 1.013 121.129 120.200 -0.141 0.000 3.079 422 E HA -0.069 4.281 4.350 -0.000 0.000 0.267 422 E C 0.606 177.087 176.600 -0.199 0.000 1.509 422 E CA 0.505 56.759 56.400 -0.244 0.000 1.630 422 E CB -0.473 29.176 29.700 -0.085 0.000 1.373 422 E HN 0.671 nan 8.360 nan 0.000 0.439 423 M N -0.924 118.533 119.600 -0.239 0.000 1.643 423 M HA 0.017 4.497 4.480 -0.000 0.000 0.222 423 M C 0.948 177.128 176.300 -0.199 0.000 1.060 423 M CA -0.003 55.194 55.300 -0.173 0.000 0.920 423 M CB 0.119 32.653 32.600 -0.110 0.000 1.774 423 M HN 0.164 nan 8.290 nan 0.000 0.650 424 I N 2.624 123.057 120.570 -0.228 0.000 3.083 424 I HA -0.119 4.051 4.170 -0.000 0.000 0.273 424 I C 1.323 177.320 176.117 -0.201 0.000 1.297 424 I CA 1.422 62.588 61.300 -0.223 0.000 1.452 424 I CB -0.094 37.779 38.000 -0.212 0.000 1.078 424 I HN 0.538 nan 8.210 nan 0.000 0.484 425 Q N -1.907 117.661 119.800 -0.387 0.000 2.241 425 Q HA 0.258 4.598 4.340 -0.000 0.000 0.296 425 Q C -0.208 175.628 176.000 -0.274 0.000 0.889 425 Q CA -0.057 55.416 55.803 -0.550 0.000 1.089 425 Q CB 0.112 28.034 28.738 -1.361 0.000 1.195 425 Q HN 0.301 nan 8.270 nan 0.000 0.451 426 D N 0.332 120.646 120.400 -0.143 0.000 2.403 426 D HA 0.095 4.735 4.640 -0.000 0.000 0.280 426 D C 0.706 176.991 176.300 -0.025 0.000 1.091 426 D CA 0.687 54.639 54.000 -0.080 0.000 0.884 426 D CB 0.391 41.136 40.800 -0.091 0.000 1.427 426 D HN 0.387 nan 8.370 nan 0.000 0.504 441 K N 0.424 120.942 120.400 0.197 0.000 2.264 441 K HA 1.011 5.331 4.320 -0.000 0.000 0.277 441 K C 0.330 177.059 176.600 0.216 0.000 1.067 441 K CA 0.168 56.568 56.287 0.188 0.000 0.900 441 K CB 0.584 33.135 32.500 0.085 0.000 1.124 441 K HN 2.129 nan 8.250 nan 0.000 0.469 442 L N 2.736 124.075 121.223 0.193 0.000 2.745 442 L HA 0.336 4.676 4.340 -0.000 0.000 0.273 442 L C 0.911 177.702 176.870 -0.132 0.000 1.156 442 L CA -0.214 54.533 54.840 -0.155 0.000 0.982 442 L CB -1.212 40.772 42.059 -0.125 0.000 1.295 442 L HN 0.639 nan 8.230 nan 0.000 0.483 443 V N 3.363 123.165 119.914 -0.187 0.000 3.178 443 V HA 0.478 4.598 4.120 -0.000 0.000 0.306 443 V C 1.005 177.040 176.094 -0.098 0.000 1.107 443 V CA 0.539 62.770 62.300 -0.115 0.000 1.195 443 V CB 0.900 32.642 31.823 -0.134 0.000 0.993 443 V HN 1.084 nan 8.190 nan 0.000 0.493 444 T N 0.939 115.461 114.554 -0.053 0.000 2.821 444 T HA 0.224 4.574 4.350 -0.000 0.000 0.306 444 T C 0.171 174.861 174.700 -0.017 0.000 1.313 444 T CA -0.616 61.462 62.100 -0.036 0.000 1.012 444 T CB 1.614 70.465 68.868 -0.028 0.000 1.298 444 T HN 0.683 nan 8.240 nan 0.000 0.502 445 D N 1.005 121.399 120.400 -0.010 0.000 2.392 445 D HA -0.084 4.556 4.640 -0.000 0.000 0.228 445 D C 1.718 178.017 176.300 -0.001 0.000 1.003 445 D CA 0.833 54.833 54.000 -0.002 0.000 0.917 445 D CB 0.451 41.252 40.800 0.000 0.000 0.890 445 D HN 0.773 nan 8.370 nan 0.000 0.532 446 E N 1.301 121.499 120.200 -0.004 0.000 2.038 446 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 446 E C 0.546 177.145 176.600 -0.001 0.000 0.967 446 E CA 0.204 56.603 56.400 -0.002 0.000 0.816 446 E CB -0.522 29.176 29.700 -0.003 0.000 0.784 446 E HN 0.112 nan 8.360 nan 0.000 0.456 447 N N 0.596 119.293 118.700 -0.004 0.000 3.271 447 N HA 0.222 4.962 4.740 -0.000 0.000 0.303 447 N C 0.252 175.760 175.510 -0.003 0.000 1.415 447 N CA 0.258 53.307 53.050 -0.002 0.000 1.159 447 N CB 1.189 39.675 38.487 -0.002 0.000 1.432 447 N HN 0.264 nan 8.380 nan 0.000 0.521 448 K N -0.242 120.159 120.400 0.001 0.000 2.262 448 K HA 0.259 4.579 4.320 -0.000 0.000 0.200 448 K C 1.737 178.344 176.600 0.011 0.000 1.058 448 K CA 1.142 57.432 56.287 0.005 0.000 0.974 448 K CB -1.012 31.494 32.500 0.009 0.000 0.910 448 K HN 0.485 nan 8.250 nan 0.000 0.484 449 E N 1.595 121.801 120.200 0.011 0.000 2.465 449 E HA 0.189 4.539 4.350 -0.000 0.000 0.195 449 E C -0.002 176.604 176.600 0.010 0.000 1.028 449 E CA -0.291 56.116 56.400 0.012 0.000 0.899 449 E CB -0.207 29.500 29.700 0.012 0.000 1.032 449 E HN 0.769 nan 8.360 nan 0.000 0.468 450 E N 1.108 121.313 120.200 0.008 0.000 2.290 450 E HA 0.048 4.398 4.350 -0.000 0.000 0.277 450 E C 0.911 177.516 176.600 0.008 0.000 1.035 450 E CA -0.160 56.243 56.400 0.007 0.000 0.873 450 E CB 1.197 30.900 29.700 0.005 0.000 1.029 450 E HN 0.481 nan 8.360 nan 0.000 0.419 451 E N 2.893 123.098 120.200 0.008 0.000 2.240 451 E HA -0.384 3.966 4.350 -0.000 0.000 0.236 451 E C 1.267 177.872 176.600 0.009 0.000 1.085 451 E CA 2.608 59.013 56.400 0.008 0.000 0.979 451 E CB -0.133 29.571 29.700 0.007 0.000 0.845 451 E HN 0.471 nan 8.360 nan 0.000 0.483 452 S N 0.492 116.197 115.700 0.008 0.000 2.370 452 S HA -0.152 4.318 4.470 -0.000 0.000 0.226 452 S C 2.083 176.688 174.600 0.009 0.000 1.033 452 S CA 1.493 59.698 58.200 0.008 0.000 1.011 452 S CB -0.239 62.966 63.200 0.008 0.000 0.852 452 S HN 0.340 nan 8.310 nan 0.000 0.457 453 I N 1.523 122.097 120.570 0.008 0.000 2.188 453 I HA -0.025 4.145 4.170 -0.000 0.000 0.237 453 I C 2.287 178.409 176.117 0.009 0.000 1.073 453 I CA 1.160 62.464 61.300 0.006 0.000 1.359 453 I CB -1.487 36.515 38.000 0.003 0.000 1.083 453 I HN 0.230 nan 8.210 nan 0.000 0.412 454 K N 1.311 121.718 120.400 0.012 0.000 2.366 454 K HA -0.238 4.082 4.320 -0.000 0.000 0.202 454 K C 1.667 178.280 176.600 0.022 0.000 1.045 454 K CA 2.035 58.333 56.287 0.019 0.000 0.934 454 K CB -0.216 32.295 32.500 0.018 0.000 0.746 454 K HN 0.597 nan 8.250 nan 0.000 0.470 455 D N -0.036 120.374 120.400 0.017 0.000 2.290 455 D HA 0.248 4.888 4.640 -0.000 0.000 0.224 455 D C 0.658 176.968 176.300 0.018 0.000 0.967 455 D CA 0.425 54.435 54.000 0.018 0.000 0.893 455 D CB -0.466 40.342 40.800 0.013 0.000 1.037 455 D HN 0.438 nan 8.370 nan 0.000 0.477 456 A N 1.217 124.045 122.820 0.013 0.000 2.622 456 A HA 0.385 4.705 4.320 -0.000 0.000 0.235 456 A C -2.219 175.373 177.584 0.013 0.000 1.013 456 A CA -0.145 51.898 52.037 0.011 0.000 0.765 456 A CB -0.489 18.516 19.000 0.009 0.000 0.921 456 A HN 0.329 nan 8.150 nan 0.000 0.506 457 P HA 0.238 nan 4.420 nan 0.000 0.271 457 P C -0.345 176.958 177.300 0.004 0.000 1.216 457 P CA -0.024 63.083 63.100 0.012 0.000 0.776 457 P CB 0.629 32.329 31.700 -0.000 0.000 0.881 458 K N 1.332 121.739 120.400 0.010 0.000 2.238 458 K HA 0.817 5.137 4.320 -0.000 0.000 0.239 458 K C -0.648 175.933 176.600 -0.031 0.000 0.987 458 K CA -0.896 55.345 56.287 -0.077 0.000 0.857 458 K CB 2.110 34.453 32.500 -0.261 0.000 1.154 458 K HN 0.397 nan 8.250 nan 0.000 0.439 459 A N 2.082 124.851 122.820 -0.085 0.000 2.357 459 A HA 0.615 4.935 4.320 -0.000 0.000 0.295 459 A C -1.534 176.074 177.584 0.041 0.000 1.121 459 A CA -0.654 51.464 52.037 0.134 0.000 0.742 459 A CB 0.371 19.551 19.000 0.301 0.000 1.181 459 A HN 0.539 nan 8.150 nan 0.000 0.454 460 Y N 1.323 121.671 120.300 0.081 0.000 2.496 460 Y HA 0.722 5.272 4.550 -0.000 0.000 0.331 460 Y C -0.051 175.767 175.900 -0.136 0.000 1.140 460 Y CA -1.159 56.819 58.100 -0.203 0.000 1.166 460 Y CB 1.869 39.861 38.460 -0.780 0.000 1.249 460 Y HN 0.702 nan 8.280 nan 0.000 0.479 461 L N -1.112 120.096 121.223 -0.026 0.000 2.565 461 L HA 0.737 5.077 4.340 -0.000 0.000 0.261 461 L C -1.060 175.899 176.870 0.147 0.000 0.932 461 L CA -0.960 53.920 54.840 0.066 0.000 0.878 461 L CB 1.817 43.881 42.059 0.008 0.000 1.333 461 L HN 0.344 nan 8.230 nan 0.000 0.409 462 S N 1.011 116.836 115.700 0.209 0.000 2.454 462 S HA 0.867 5.337 4.470 -0.000 0.000 0.306 462 S C -0.413 174.207 174.600 0.033 0.000 1.100 462 S CA -0.537 57.761 58.200 0.164 0.000 1.087 462 S CB 1.739 65.012 63.200 0.122 0.000 1.019 462 S HN 0.765 nan 8.310 nan 0.000 0.480 463 T N 3.891 118.501 114.554 0.092 0.000 2.829 463 T HA 0.628 4.977 4.350 -0.000 0.000 0.280 463 T C -0.462 174.293 174.700 0.092 0.000 0.999 463 T CA -0.526 61.581 62.100 0.012 0.000 0.983 463 T CB 0.965 69.824 68.868 -0.014 0.000 0.968 463 T HN 0.436 nan 8.240 nan 0.000 0.446 464 M N 2.318 121.858 119.600 -0.101 0.000 2.591 464 M HA 0.591 5.071 4.480 -0.000 0.000 0.306 464 M C -1.578 174.576 176.300 -0.243 0.000 1.190 464 M CA -0.815 54.483 55.300 -0.003 0.000 0.889 464 M CB 2.246 34.881 32.600 0.059 0.000 1.728 464 M HN 0.579 nan 8.290 nan 0.000 0.458 465 Y N 1.280 121.720 120.300 0.233 0.000 2.524 465 Y HA 0.740 5.290 4.550 -0.000 0.000 0.344 465 Y C -0.613 175.442 175.900 0.258 0.000 1.012 465 Y CA -0.800 57.467 58.100 0.277 0.000 1.068 465 Y CB 1.655 40.378 38.460 0.439 0.000 1.249 465 Y HN 0.458 nan 8.280 nan 0.000 0.468 466 I N 1.892 122.731 120.570 0.448 0.000 2.468 466 I HA 0.398 4.567 4.170 -0.000 0.000 0.285 466 I C 0.231 176.522 176.117 0.290 0.000 1.039 466 I CA -0.760 60.729 61.300 0.315 0.000 1.074 466 I CB 1.719 39.790 38.000 0.119 0.000 1.228 466 I HN 0.801 nan 8.210 nan 0.000 0.436 467 G N 7.007 115.933 108.800 0.211 0.000 2.406 467 G HA2 0.557 4.517 3.960 -0.000 0.000 0.251 467 G HA3 0.557 4.517 3.960 -0.000 0.000 0.251 467 G C -0.656 173.827 174.900 -0.696 0.000 1.271 467 G CA -0.225 44.515 45.100 -0.600 0.000 0.859 467 G HN 0.455 nan 8.290 nan 0.000 0.540 468 L N 1.550 122.380 121.223 -0.656 0.000 2.362 468 L HA 0.467 4.807 4.340 -0.000 0.000 0.271 468 L C -1.029 175.696 176.870 -0.241 0.000 1.002 468 L CA -0.920 53.688 54.840 -0.387 0.000 0.818 468 L CB 2.567 44.557 42.059 -0.115 0.000 1.298 468 L HN 0.396 nan 8.230 nan 0.000 0.420 469 D N 1.843 122.082 120.400 -0.267 0.000 2.473 469 D HA 0.396 5.036 4.640 -0.000 0.000 0.253 469 D C -1.187 175.043 176.300 -0.116 0.000 1.233 469 D CA -0.212 53.788 54.000 0.001 0.000 0.908 469 D CB 0.950 41.794 40.800 0.074 0.000 1.170 469 D HN 0.004 nan 8.370 nan 0.000 0.558 470 F N 1.695 121.710 119.950 0.108 0.000 2.394 470 F HA 0.346 4.873 4.527 -0.000 0.000 0.340 470 F C 1.269 177.108 175.800 0.065 0.000 1.105 470 F CA -0.860 57.178 58.000 0.063 0.000 1.124 470 F CB 0.532 39.553 39.000 0.035 0.000 1.145 470 F HN 0.164 nan 8.300 nan 0.000 0.505 471 N N 1.740 120.550 118.700 0.183 0.000 2.374 471 N HA 0.116 4.856 4.740 -0.000 0.000 0.269 471 N C 0.559 176.152 175.510 0.137 0.000 1.310 471 N CA 0.167 53.294 53.050 0.128 0.000 0.877 471 N CB 0.369 38.908 38.487 0.087 0.000 1.096 471 N HN 0.664 nan 8.380 nan 0.000 0.484 472 I N 2.011 122.655 120.570 0.122 0.000 3.425 472 I HA 0.029 4.199 4.170 -0.000 0.000 0.298 472 I C 1.376 177.539 176.117 0.076 0.000 1.278 472 I CA -0.188 61.176 61.300 0.106 0.000 1.475 472 I CB -1.782 36.279 38.000 0.103 0.000 1.283 472 I HN 0.726 nan 8.210 nan 0.000 0.540 473 E N 0.318 120.561 120.200 0.070 0.000 2.004 473 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 473 E C 0.649 177.276 176.600 0.045 0.000 0.981 473 E CA 1.308 57.740 56.400 0.053 0.000 0.842 473 E CB -0.034 29.695 29.700 0.049 0.000 0.796 473 E HN 0.714 nan 8.360 nan 0.000 0.477 474 N N -0.341 118.384 118.700 0.040 0.000 3.560 474 N HA 0.031 4.771 4.740 -0.000 0.000 0.139 474 N C -1.387 174.138 175.510 0.024 0.000 0.998 474 N CA -0.174 52.895 53.050 0.031 0.000 2.848 474 N CB 0.441 38.944 38.487 0.027 0.000 1.325 474 N HN -0.049 nan 8.380 nan 0.000 0.781 475 K N 0.878 121.292 120.400 0.024 0.000 2.126 475 K HA 0.261 4.581 4.320 -0.000 0.000 0.257 475 K C 0.992 177.595 176.600 0.005 0.000 1.007 475 K CA -0.306 55.989 56.287 0.015 0.000 0.928 475 K CB 1.264 33.774 32.500 0.016 0.000 1.013 475 K HN 0.131 nan 8.250 nan 0.000 0.473 476 K N 0.885 121.284 120.400 -0.002 0.000 2.280 476 K HA -0.140 4.180 4.320 -0.000 0.000 0.202 476 K C 0.311 176.898 176.600 -0.022 0.000 1.047 476 K CA 1.304 57.586 56.287 -0.009 0.000 0.942 476 K CB 0.261 32.756 32.500 -0.009 0.000 0.739 476 K HN 0.671 nan 8.250 nan 0.000 0.457 477 E N -0.663 119.518 120.200 -0.032 0.000 2.401 477 E HA 0.237 4.587 4.350 -0.000 0.000 0.280 477 E C -1.496 175.052 176.600 -0.087 0.000 1.039 477 E CA -0.986 55.375 56.400 -0.064 0.000 0.814 477 E CB 1.048 30.708 29.700 -0.067 0.000 1.275 477 E HN -0.212 nan 8.360 nan 0.000 0.448 478 K N 0.546 120.842 120.400 -0.173 0.000 2.276 478 K HA 0.220 4.540 4.320 -0.000 0.000 0.259 478 K C 0.110 176.623 176.600 -0.144 0.000 1.001 478 K CA -0.237 55.904 56.287 -0.242 0.000 0.927 478 K CB 0.717 32.836 32.500 -0.636 0.000 0.969 478 K HN 0.419 nan 8.250 nan 0.000 0.490 479 V N -0.280 119.619 119.914 -0.024 0.000 2.408 479 V HA 0.095 4.214 4.120 -0.000 0.000 0.267 479 V C -0.071 176.017 176.094 -0.009 0.000 1.047 479 V CA -1.007 61.298 62.300 0.009 0.000 0.937 479 V CB 0.789 32.651 31.823 0.065 0.000 0.999 479 V HN 0.674 nan 8.190 nan 0.000 0.472 480 D N 4.436 124.800 120.400 -0.061 0.000 2.583 480 D HA -0.002 4.638 4.640 -0.000 0.000 0.232 480 D C 0.739 177.031 176.300 -0.013 0.000 1.128 480 D CA 0.593 54.547 54.000 -0.076 0.000 0.859 480 D CB 0.613 41.380 40.800 -0.055 0.000 1.169 480 D HN 0.801 nan 8.370 nan 0.000 0.481 481 I N 0.857 121.411 120.570 -0.026 0.000 3.637 481 I HA 0.279 4.449 4.170 -0.000 0.000 0.342 481 I C 0.620 176.764 176.117 0.045 0.000 1.545 481 I CA -0.654 60.655 61.300 0.016 0.000 1.126 481 I CB 0.154 38.164 38.000 0.016 0.000 1.375 481 I HN 0.375 nan 8.210 nan 0.000 0.467 482 H N 1.656 120.714 119.070 -0.020 0.000 2.333 482 H HA 0.037 4.593 4.556 -0.000 0.000 0.302 482 H C 1.946 177.295 175.328 0.034 0.000 1.075 482 H CA 2.156 58.208 56.048 0.007 0.000 1.348 482 H CB 0.218 29.979 29.762 -0.002 0.000 1.393 482 H HN 0.421 nan 8.280 nan 0.000 0.509 483 I N 0.564 121.157 120.570 0.040 0.000 2.069 483 I HA -0.244 3.926 4.170 -0.000 0.000 0.237 483 I C -0.498 175.606 176.117 -0.022 0.000 1.053 483 I CA 1.593 62.895 61.300 0.002 0.000 1.311 483 I CB -1.168 36.860 38.000 0.047 0.000 1.030 483 I HN 0.325 nan 8.210 nan 0.000 0.398 484 P HA -0.153 nan 4.420 nan 0.000 0.216 484 P C 1.798 179.126 177.300 0.046 0.000 1.153 484 P CA 1.551 64.667 63.100 0.028 0.000 0.858 484 P CB -0.097 31.614 31.700 0.018 0.000 0.789 485 C N -1.739 117.564 119.300 0.005 0.000 2.442 485 C HA -0.140 4.320 4.460 -0.000 0.000 0.279 485 C C 2.884 177.906 174.990 0.053 0.000 1.237 485 C CA 1.871 60.913 59.018 0.039 0.000 1.722 485 C CB -1.884 25.860 27.740 0.007 0.000 2.056 485 C HN 0.305 nan 8.230 nan 0.000 0.469 486 T N 0.001 114.482 114.554 -0.123 0.000 2.699 486 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 486 T C 1.618 176.329 174.700 0.018 0.000 1.036 486 T CA 2.119 64.160 62.100 -0.098 0.000 1.147 486 T CB -0.338 68.382 68.868 -0.248 0.000 0.862 486 T HN 0.656 nan 8.240 nan 0.000 0.446 487 E N -0.481 119.736 120.200 0.028 0.000 2.021 487 E HA -0.144 4.206 4.350 -0.000 0.000 0.200 487 E C 1.841 178.497 176.600 0.093 0.000 1.015 487 E CA 1.701 58.138 56.400 0.062 0.000 0.824 487 E CB -0.446 29.295 29.700 0.068 0.000 0.762 487 E HN 0.622 nan 8.360 nan 0.000 0.454 488 F N 1.225 121.178 119.950 0.005 0.000 2.141 488 F HA -0.301 4.226 4.527 -0.000 0.000 0.300 488 F C 1.941 177.759 175.800 0.030 0.000 1.079 488 F CA 1.315 59.320 58.000 0.009 0.000 1.264 488 F CB -0.310 38.688 39.000 -0.003 0.000 1.011 488 F HN -0.140 nan 8.300 nan 0.000 0.487 489 V N 0.966 120.887 119.914 0.013 0.000 2.223 489 V HA -0.364 3.755 4.120 -0.000 0.000 0.244 489 V C 2.069 178.142 176.094 -0.034 0.000 1.045 489 V CA 2.471 64.757 62.300 -0.024 0.000 1.000 489 V CB -1.098 30.790 31.823 0.108 0.000 0.635 489 V HN 0.424 nan 8.190 nan 0.000 0.445 490 N N 0.331 119.045 118.700 0.024 0.000 2.011 490 N HA -0.278 4.462 4.740 -0.000 0.000 0.199 490 N C 1.827 177.361 175.510 0.039 0.000 1.047 490 N CA 1.655 54.735 53.050 0.051 0.000 0.863 490 N CB -0.425 38.094 38.487 0.053 0.000 1.056 490 N HN 0.325 nan 8.380 nan 0.000 0.427 491 L N 1.427 122.650 121.223 0.000 0.000 2.089 491 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 491 L C 2.024 178.902 176.870 0.014 0.000 1.079 491 L CA 1.554 56.405 54.840 0.018 0.000 0.758 491 L CB -0.767 41.286 42.059 -0.010 0.000 0.891 491 L HN 0.337 nan 8.230 nan 0.000 0.433 492 C N -0.784 118.430 119.300 -0.143 0.000 2.432 492 C HA -0.045 4.414 4.460 -0.000 0.000 0.280 492 C C 2.814 177.946 174.990 0.237 0.000 1.353 492 C CA 0.527 59.468 59.018 -0.128 0.000 1.766 492 C CB -1.031 26.448 27.740 -0.435 0.000 1.924 492 C HN 0.498 nan 8.230 nan 0.000 0.509 493 R N 0.675 121.312 120.500 0.228 0.000 2.090 493 R HA 0.051 4.391 4.340 -0.000 0.000 0.219 493 R C 1.541 177.996 176.300 0.258 0.000 1.100 493 R CA 1.010 57.263 56.100 0.255 0.000 0.991 493 R CB -0.538 29.880 30.300 0.197 0.000 0.893 493 R HN 0.456 nan 8.270 nan 0.000 0.443 494 S N 0.442 116.262 115.700 0.201 0.000 3.900 494 S HA 0.119 4.589 4.470 -0.000 0.000 0.248 494 S C 0.235 174.999 174.600 0.273 0.000 1.310 494 S CA 0.069 58.372 58.200 0.172 0.000 0.915 494 S CB -0.376 62.890 63.200 0.110 0.000 1.588 494 S HN 0.302 nan 8.310 nan 0.000 0.472 495 F N 0.797 120.822 119.950 0.126 0.000 2.706 495 F HA 0.270 4.796 4.527 -0.000 0.000 0.370 495 F C -0.030 175.807 175.800 0.061 0.000 0.828 495 F CA -0.091 57.993 58.000 0.140 0.000 1.028 495 F CB 0.437 39.600 39.000 0.272 0.000 0.981 495 F HN 0.508 nan 8.300 nan 0.000 0.617 496 N N -0.775 118.006 118.700 0.135 0.000 2.708 496 N HA 0.211 4.951 4.740 -0.000 0.000 0.257 496 N C 0.175 175.612 175.510 -0.122 0.000 1.373 496 N CA -0.249 52.700 53.050 -0.169 0.000 0.843 496 N CB 1.272 39.390 38.487 -0.615 0.000 1.503 496 N HN -0.203 nan 8.380 nan 0.000 0.504 497 E N 0.378 120.495 120.200 -0.137 0.000 2.152 497 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 497 E C 1.169 177.734 176.600 -0.059 0.000 0.983 497 E CA 1.717 58.072 56.400 -0.075 0.000 0.818 497 E CB -0.818 28.842 29.700 -0.067 0.000 0.758 497 E HN 0.796 nan 8.360 nan 0.000 0.467 498 D N 0.210 120.542 120.400 -0.112 0.000 2.117 498 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 498 D C 1.994 178.392 176.300 0.163 0.000 0.987 498 D CA 1.154 55.160 54.000 0.010 0.000 0.829 498 D CB -0.996 39.813 40.800 0.015 0.000 0.961 498 D HN 0.322 nan 8.370 nan 0.000 0.460 499 Y N 0.612 120.886 120.300 -0.042 0.000 2.128 499 Y HA 0.025 4.575 4.550 -0.000 0.000 0.284 499 Y C 2.773 178.576 175.900 -0.162 0.000 1.154 499 Y CA 0.321 58.230 58.100 -0.319 0.000 1.149 499 Y CB -0.169 38.081 38.460 -0.349 0.000 0.976 499 Y HN 0.293 nan 8.280 nan 0.000 0.505 500 G N -0.244 108.620 108.800 0.108 0.000 3.284 500 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.251 500 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.251 500 G C -0.100 174.810 174.900 0.017 0.000 0.913 500 G CA 0.268 45.407 45.100 0.065 0.000 1.947 500 G HN 0.362 nan 8.290 nan 0.000 0.635 501 D N -0.583 119.869 120.400 0.087 0.000 2.844 501 D HA 0.085 4.725 4.640 -0.000 0.000 0.271 501 D C 1.401 177.781 176.300 0.133 0.000 1.386 501 D CA 0.657 54.693 54.000 0.061 0.000 1.053 501 D CB 0.258 41.102 40.800 0.074 0.000 1.107 501 D HN 0.369 nan 8.370 nan 0.000 0.395 502 H N -3.019 116.084 119.070 0.056 0.000 4.325 502 H HA -0.137 4.419 4.556 -0.000 0.000 0.116 502 H C 1.424 176.817 175.328 0.108 0.000 0.629 502 H CA 0.877 56.978 56.048 0.090 0.000 1.152 502 H CB -0.874 28.929 29.762 0.069 0.000 0.507 502 H HN 0.224 nan 8.280 nan 0.000 0.700 503 K N 1.385 121.871 120.400 0.145 0.000 2.137 503 K HA 0.295 4.615 4.320 -0.000 0.000 0.202 503 K C 1.874 178.400 176.600 -0.123 0.000 1.052 503 K CA 1.482 57.796 56.287 0.045 0.000 0.961 503 K CB -0.057 32.431 32.500 -0.020 0.000 0.741 503 K HN 0.153 nan 8.250 nan 0.000 0.452 504 V N -0.830 118.936 119.914 -0.247 0.000 2.806 504 V HA 0.338 4.458 4.120 -0.000 0.000 0.239 504 V C 0.162 175.952 176.094 -0.506 0.000 1.113 504 V CA -0.101 61.840 62.300 -0.598 0.000 1.137 504 V CB -0.061 31.176 31.823 -0.977 0.000 0.865 504 V HN 0.391 nan 8.190 nan 0.000 0.482 505 F N 1.173 121.146 119.950 0.037 0.000 2.480 505 F HA 0.651 5.178 4.527 -0.000 0.000 0.329 505 F C 0.164 176.048 175.800 0.140 0.000 1.091 505 F CA -1.187 56.782 58.000 -0.052 0.000 0.972 505 F CB 1.015 39.553 39.000 -0.769 0.000 1.150 505 F HN -0.025 nan 8.300 nan 0.000 0.467 506 N N 1.814 120.908 118.700 0.655 0.000 2.405 506 N HA 0.535 5.275 4.740 -0.000 0.000 0.274 506 N C -2.198 173.799 175.510 0.811 0.000 1.170 506 N CA -0.513 52.878 53.050 0.569 0.000 0.848 506 N CB 3.063 41.733 38.487 0.305 0.000 1.629 506 N HN 0.496 nan 8.380 nan 0.000 0.481 507 L N 1.491 123.056 121.223 0.570 0.000 2.438 507 L HA 0.841 5.181 4.340 -0.000 0.000 0.270 507 L C -1.306 175.756 176.870 0.321 0.000 0.972 507 L CA -0.395 54.709 54.840 0.440 0.000 0.831 507 L CB 1.580 43.878 42.059 0.397 0.000 1.273 507 L HN 0.713 nan 8.230 nan 0.000 0.405 508 A N 4.684 127.675 122.820 0.285 0.000 2.435 508 A HA 0.892 5.212 4.320 -0.000 0.000 0.304 508 A C -2.006 175.680 177.584 0.171 0.000 1.064 508 A CA -0.462 51.716 52.037 0.234 0.000 0.727 508 A CB 1.543 20.715 19.000 0.287 0.000 1.284 508 A HN 0.519 nan 8.150 nan 0.000 0.415 509 L N 2.147 123.467 121.223 0.161 0.000 2.372 509 L HA 0.610 4.950 4.340 -0.000 0.000 0.274 509 L C 0.170 177.132 176.870 0.154 0.000 0.988 509 L CA -0.151 54.770 54.840 0.136 0.000 0.833 509 L CB 1.695 43.839 42.059 0.141 0.000 1.236 509 L HN 0.842 nan 8.230 nan 0.000 0.410 510 R N 2.037 122.628 120.500 0.151 0.000 2.534 510 R HA 0.610 4.950 4.340 -0.000 0.000 0.301 510 R C -0.950 175.511 176.300 0.268 0.000 0.961 510 R CA -0.665 55.553 56.100 0.196 0.000 0.871 510 R CB 1.486 31.880 30.300 0.156 0.000 1.170 510 R HN 0.255 nan 8.270 nan 0.000 0.446 511 F N 3.246 123.281 119.950 0.142 0.000 2.456 511 F HA 0.318 4.845 4.527 -0.000 0.000 0.358 511 F C -0.677 175.253 175.800 0.217 0.000 1.095 511 F CA -0.053 58.054 58.000 0.180 0.000 1.216 511 F CB 1.034 40.118 39.000 0.140 0.000 1.125 511 F HN 0.264 nan 8.300 nan 0.000 0.549 512 V N 6.137 125.961 119.914 -0.150 0.000 2.638 512 V HA 0.309 4.429 4.120 -0.000 0.000 0.306 512 V C -0.568 175.505 176.094 -0.035 0.000 1.052 512 V CA -1.368 60.927 62.300 -0.008 0.000 0.885 512 V CB 2.039 33.928 31.823 0.111 0.000 0.999 512 V HN 0.576 nan 8.190 nan 0.000 0.424 513 K N 2.391 122.811 120.400 0.033 0.000 2.270 513 K HA 0.351 4.671 4.320 -0.000 0.000 0.276 513 K C 1.467 178.071 176.600 0.007 0.000 1.023 513 K CA 0.255 56.524 56.287 -0.030 0.000 0.955 513 K CB 1.030 33.546 32.500 0.025 0.000 0.975 513 K HN 0.885 nan 8.250 nan 0.000 0.471 514 G N 1.476 110.248 108.800 -0.045 0.000 2.503 514 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.221 514 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.221 514 G C 1.231 176.144 174.900 0.021 0.000 1.131 514 G CA 0.924 46.074 45.100 0.083 0.000 0.756 514 G HN 0.734 nan 8.290 nan 0.000 0.572 515 Y N 1.358 121.613 120.300 -0.075 0.000 2.224 515 Y HA -0.053 4.497 4.550 -0.000 0.000 0.289 515 Y C 1.639 177.511 175.900 -0.048 0.000 1.146 515 Y CA 1.710 59.770 58.100 -0.065 0.000 1.182 515 Y CB 0.312 38.732 38.460 -0.066 0.000 0.983 515 Y HN 0.189 nan 8.280 nan 0.000 0.524 516 D N 0.319 120.758 120.400 0.065 0.000 2.336 516 D HA 0.087 4.727 4.640 -0.000 0.000 0.228 516 D C 0.091 176.364 176.300 -0.046 0.000 1.120 516 D CA 0.146 54.160 54.000 0.023 0.000 0.839 516 D CB -0.229 40.620 40.800 0.081 0.000 0.932 516 D HN 0.270 nan 8.370 nan 0.000 0.509 517 L N 1.527 122.690 121.223 -0.099 0.000 2.506 517 L HA 0.074 4.414 4.340 -0.000 0.000 0.281 517 L C -1.823 174.929 176.870 -0.196 0.000 1.228 517 L CA -1.174 53.536 54.840 -0.216 0.000 0.850 517 L CB -0.021 41.808 42.059 -0.382 0.000 1.110 517 L HN -0.266 nan 8.230 nan 0.000 0.496 518 P HA 0.041 nan 4.420 nan 0.000 0.268 518 P C -0.282 176.865 177.300 -0.255 0.000 1.204 518 P CA -0.174 62.778 63.100 -0.246 0.000 0.768 518 P CB 0.578 32.110 31.700 -0.280 0.000 0.842 519 D N 1.634 121.963 120.400 -0.120 0.000 2.158 519 D HA -0.227 4.413 4.640 -0.000 0.000 0.197 519 D C 1.607 177.843 176.300 -0.106 0.000 0.995 519 D CA 1.495 55.471 54.000 -0.040 0.000 0.846 519 D CB -0.192 40.584 40.800 -0.041 0.000 0.941 519 D HN 0.635 nan 8.370 nan 0.000 0.456 520 E N 0.121 120.195 120.200 -0.209 0.000 2.265 520 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 520 E C 1.807 178.143 176.600 -0.440 0.000 0.996 520 E CA 0.610 56.871 56.400 -0.231 0.000 0.832 520 E CB -0.277 29.308 29.700 -0.193 0.000 0.756 520 E HN 0.102 nan 8.360 nan 0.000 0.491 521 V N 0.078 119.471 119.914 -0.869 0.000 2.809 521 V HA -0.128 3.992 4.120 -0.000 0.000 0.256 521 V C 0.960 176.336 176.094 -1.196 0.000 1.080 521 V CA 1.258 62.648 62.300 -1.517 0.000 1.102 521 V CB -0.403 30.020 31.823 -2.334 0.000 0.705 521 V HN 0.330 nan 8.190 nan 0.000 0.475 522 F N -1.020 118.661 119.950 -0.450 0.000 2.695 522 F HA 0.290 4.817 4.527 -0.000 0.000 0.303 522 F C 1.087 176.841 175.800 -0.078 0.000 1.091 522 F CA -0.724 57.139 58.000 -0.227 0.000 1.300 522 F CB -0.115 38.748 39.000 -0.228 0.000 1.071 522 F HN 0.119 nan 8.300 nan 0.000 0.578 523 D N 0.000 120.427 120.400 0.044 0.000 6.856 523 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 523 D CA 0.000 54.038 54.000 0.062 0.000 0.868 523 D CB 0.000 40.825 40.800 0.042 0.000 0.688 523 D HN 0.000 nan 8.370 nan 0.000 0.683