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 2nzt_1_B DATA FIRST_RESID 17 DATA SEQUENCE DQVQKVDQYL YHMRLSDETL LEISKRFRKE MEKGLGATTH PTAAVKMLPT DATA SEQUENCE FVRSTPDGTE HGEFLALDLG GTNFRVLWVK VXXXXXXXVE MENQIYAIPE DATA SEQUENCE DIMRGSGTQL FDHIAECLAN FMDKLQIKDK KLPLGFTFSF PCHQTKLDES DATA SEQUENCE FLVSWTKGFK SSGVEGRDVV ALIRKAIQRR GDFDIDIVAV VNDTVGTMMT DATA SEQUENCE CGYDDHNCEI GLIVGTGSNA CYMEEMRHID MVEGDEGRMC INMEWGAFGD DATA SEQUENCE DGSLNDIRTE FDQEIDMGSL NPGKQLFEKM ISGMYMGELV RLILVKMAKE DATA SEQUENCE ELLFGGKLSP ELLNTGRFET KDISDIEGEX DGIRKAREVL MRLGLDPTQE DATA SEQUENCE DCVATHRICQ IVSTRSASLC AATLAAVLQR IKENKGEXXL RSTIGVDGSV DATA SEQUENCE YKKHPHFAKR LHKTVRRLVP GCDVRFLRSE DGSGKGAAMV TAVAYRLADQ DATA SEQUENCE HRARQKTLEH LQLSHDQLLE VKRRMKVEME RGLSKETHAS APVKMLPTYV DATA SEQUENCE CXXXXXXXXG DFLALDLGGT NFRVLLVRVX XXXXXXVEMH NKIYAIPQEV DATA SEQUENCE MHGTGDELFD HIVQCIADFL EYMGMKGVSL PLGFTFSFPC QQNSLDESIL DATA SEQUENCE LKWTKGFKAS GCEGEDVVTL LKEAIHRRXX XXXDVVAVVN DTVGTMMTCG DATA SEQUENCE FEDPHCEVGL IVGTGSNACY MEEMRNVELV EGEEGRMCVN MEWGAFGDNG DATA SEQUENCE CLDDFRTEFD VAVDELSLNP GKQRFEKMIS GMYLGEIVRN ILIDFTKRGL DATA SEQUENCE LFRGRISERL KTRGIFETKF LSQIESDCLA LLQVRAILQH LGLESTCDDS DATA SEQUENCE IIVKEVCTVV ARRAAQLCGA GMAAVVDRIR ENRGLDALKV TVGVDGTLYK DATA SEQUENCE LHPHFAKVMH ETVKDLAPKC DVSFLQSEDG SGKGAALITA VACRIRE 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 17 D HA 0.000 nan 4.640 nan 0.000 0.175 17 D C 0.000 176.288 176.300 -0.020 0.000 2.045 17 D CA 0.000 53.991 54.000 -0.015 0.000 0.868 17 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 18 Q N 0.339 120.124 119.800 -0.026 0.000 2.079 18 Q HA -0.020 4.330 4.340 0.016 0.000 0.200 18 Q C 2.740 178.731 176.000 -0.015 0.000 0.974 18 Q CA 1.698 57.481 55.803 -0.034 0.000 0.840 18 Q CB -0.397 28.312 28.738 -0.049 0.000 0.898 18 Q HN 0.551 nan 8.270 nan 0.000 0.430 19 V N 1.855 121.768 119.914 -0.002 0.000 2.311 19 V HA -0.361 3.768 4.120 0.016 0.000 0.259 19 V C 2.469 178.571 176.094 0.015 0.000 1.086 19 V CA 2.606 64.915 62.300 0.015 0.000 1.078 19 V CB -0.799 31.037 31.823 0.021 0.000 0.668 19 V HN 0.567 nan 8.190 nan 0.000 0.452 20 Q N -0.461 119.343 119.800 0.006 0.000 2.302 20 Q HA -0.104 4.246 4.340 0.016 0.000 0.202 20 Q C 2.128 178.133 176.000 0.010 0.000 0.936 20 Q CA 1.125 56.932 55.803 0.007 0.000 0.886 20 Q CB -0.201 28.536 28.738 -0.001 0.000 0.986 20 Q HN 0.557 nan 8.270 nan 0.000 0.487 21 K N 0.295 120.696 120.400 0.001 0.000 2.217 21 K HA -0.025 4.304 4.320 0.016 0.000 0.202 21 K C 1.954 178.569 176.600 0.025 0.000 1.051 21 K CA 1.036 57.323 56.287 0.001 0.000 0.952 21 K CB 0.227 32.710 32.500 -0.028 0.000 0.736 21 K HN 0.056 nan 8.250 nan 0.000 0.453 22 V N 1.905 121.833 119.914 0.023 0.000 2.283 22 V HA -0.223 3.907 4.120 0.016 0.000 0.243 22 V C 1.471 177.628 176.094 0.105 0.000 1.039 22 V CA 1.873 64.206 62.300 0.055 0.000 1.016 22 V CB -0.364 31.475 31.823 0.025 0.000 0.650 22 V HN 0.249 nan 8.190 nan 0.000 0.449 23 D N -0.130 120.313 120.400 0.071 0.000 2.190 23 D HA -0.221 4.428 4.640 0.016 0.000 0.200 23 D C 2.268 178.632 176.300 0.106 0.000 0.992 23 D CA 1.365 55.413 54.000 0.080 0.000 0.854 23 D CB -0.213 40.621 40.800 0.057 0.000 0.936 23 D HN 0.553 nan 8.370 nan 0.000 0.462 24 Q N -1.471 118.377 119.800 0.081 0.000 2.269 24 Q HA -0.063 4.287 4.340 0.016 0.000 0.201 24 Q C 1.625 177.681 176.000 0.093 0.000 0.946 24 Q CA 0.416 56.239 55.803 0.033 0.000 0.877 24 Q CB 0.075 28.805 28.738 -0.014 0.000 0.963 24 Q HN 0.394 nan 8.270 nan 0.000 0.472 25 Y N 0.495 120.806 120.300 0.019 0.000 2.269 25 Y HA 0.063 4.622 4.550 0.016 0.000 0.294 25 Y C 0.827 176.777 175.900 0.082 0.000 1.120 25 Y CA 0.768 58.894 58.100 0.045 0.000 1.159 25 Y CB 0.487 38.971 38.460 0.040 0.000 1.024 25 Y HN -0.078 nan 8.280 nan 0.000 0.532 26 L N 1.323 122.648 121.223 0.171 0.000 2.990 26 L HA 0.066 4.415 4.340 0.016 0.000 0.231 26 L C 0.673 177.585 176.870 0.071 0.000 1.341 26 L CA -0.164 54.727 54.840 0.084 0.000 1.208 26 L CB -0.624 41.481 42.059 0.077 0.000 1.571 26 L HN 0.334 nan 8.230 nan 0.000 0.453 27 Y N 0.519 120.746 120.300 -0.123 0.000 2.231 27 Y HA -0.136 4.424 4.550 0.016 0.000 0.294 27 Y C 2.126 177.953 175.900 -0.122 0.000 1.120 27 Y CA 1.358 59.360 58.100 -0.164 0.000 1.141 27 Y CB -0.166 38.125 38.460 -0.282 0.000 1.022 27 Y HN 0.378 nan 8.280 nan 0.000 0.523 28 H N -0.550 118.360 119.070 -0.266 0.000 2.567 28 H HA 0.019 4.585 4.556 0.016 0.000 0.276 28 H C 1.422 176.631 175.328 -0.198 0.000 1.016 28 H CA 0.877 56.717 56.048 -0.347 0.000 1.186 28 H CB -0.099 29.548 29.762 -0.192 0.000 1.351 28 H HN 0.368 nan 8.280 nan 0.000 0.605 29 M N -0.109 119.469 119.600 -0.037 0.000 2.371 29 M HA 0.113 4.603 4.480 0.016 0.000 0.246 29 M C -0.026 176.242 176.300 -0.053 0.000 1.103 29 M CA 0.320 55.602 55.300 -0.030 0.000 1.010 29 M CB 0.738 33.334 32.600 -0.007 0.000 1.457 29 M HN 0.029 nan 8.290 nan 0.000 0.486 30 R N 1.435 121.890 120.500 -0.075 0.000 2.288 30 R HA 0.531 4.881 4.340 0.016 0.000 0.326 30 R C -1.120 175.135 176.300 -0.075 0.000 0.959 30 R CA -0.267 55.801 56.100 -0.053 0.000 0.834 30 R CB 1.344 31.640 30.300 -0.007 0.000 1.157 30 R HN 0.197 nan 8.270 nan 0.000 0.470 31 L N 3.372 124.558 121.223 -0.061 0.000 2.262 31 L HA 0.275 4.624 4.340 0.016 0.000 0.288 31 L C 0.604 177.451 176.870 -0.037 0.000 1.035 31 L CA -0.548 54.256 54.840 -0.060 0.000 0.820 31 L CB 1.411 43.434 42.059 -0.059 0.000 1.204 31 L HN 0.672 nan 8.230 nan 0.000 0.424 32 S N 0.158 115.841 115.700 -0.029 0.000 2.579 32 S HA 0.034 4.514 4.470 0.016 0.000 0.275 32 S C 0.601 175.195 174.600 -0.011 0.000 1.345 32 S CA -0.640 57.554 58.200 -0.010 0.000 1.031 32 S CB 1.052 64.255 63.200 0.005 0.000 0.892 32 S HN 0.596 nan 8.310 nan 0.000 0.529 33 D N 0.598 120.995 120.400 -0.004 0.000 2.265 33 D HA -0.107 4.543 4.640 0.016 0.000 0.208 33 D C 1.638 177.940 176.300 0.003 0.000 0.977 33 D CA 1.447 55.446 54.000 -0.001 0.000 0.871 33 D CB -0.205 40.597 40.800 0.003 0.000 0.925 33 D HN 0.870 nan 8.370 nan 0.000 0.485 34 E N 0.053 120.256 120.200 0.004 0.000 2.072 34 E HA -0.153 4.206 4.350 0.016 0.000 0.191 34 E C 1.441 178.043 176.600 0.003 0.000 0.985 34 E CA 1.590 57.993 56.400 0.007 0.000 0.801 34 E CB 0.123 29.829 29.700 0.011 0.000 0.750 34 E HN 0.397 nan 8.360 nan 0.000 0.452 35 T N -1.186 113.365 114.554 -0.005 0.000 3.067 35 T HA 0.099 4.459 4.350 0.016 0.000 0.257 35 T C 1.906 176.602 174.700 -0.007 0.000 1.105 35 T CA 0.064 62.157 62.100 -0.012 0.000 1.104 35 T CB -0.026 68.823 68.868 -0.032 0.000 0.925 35 T HN 0.090 nan 8.240 nan 0.000 0.498 36 L N 0.019 121.239 121.223 -0.005 0.000 2.131 36 L HA 0.207 4.557 4.340 0.016 0.000 0.206 36 L C 2.525 179.404 176.870 0.016 0.000 1.087 36 L CA 0.693 55.534 54.840 0.002 0.000 0.767 36 L CB -0.512 41.543 42.059 -0.007 0.000 0.917 36 L HN 0.211 nan 8.230 nan 0.000 0.441 37 L N -0.197 121.034 121.223 0.015 0.000 2.056 37 L HA -0.205 4.144 4.340 0.016 0.000 0.207 37 L C 2.650 179.537 176.870 0.029 0.000 1.078 37 L CA 1.046 55.898 54.840 0.020 0.000 0.749 37 L CB -0.297 41.771 42.059 0.015 0.000 0.901 37 L HN 0.250 nan 8.230 nan 0.000 0.433 38 E N 1.040 121.255 120.200 0.026 0.000 2.038 38 E HA -0.238 4.121 4.350 0.016 0.000 0.195 38 E C 2.057 178.695 176.600 0.064 0.000 1.000 38 E CA 1.628 58.048 56.400 0.033 0.000 0.803 38 E CB -0.322 29.389 29.700 0.019 0.000 0.750 38 E HN 0.361 nan 8.360 nan 0.000 0.448 39 I N 0.786 121.396 120.570 0.067 0.000 2.145 39 I HA -0.382 3.797 4.170 0.016 0.000 0.244 39 I C 2.532 178.763 176.117 0.190 0.000 1.075 39 I CA 1.829 63.207 61.300 0.129 0.000 1.332 39 I CB -0.530 37.524 38.000 0.089 0.000 1.033 39 I HN 0.273 nan 8.210 nan 0.000 0.410 40 S N 0.989 116.754 115.700 0.109 0.000 2.383 40 S HA -0.190 4.290 4.470 0.016 0.000 0.227 40 S C 2.366 177.019 174.600 0.090 0.000 1.026 40 S CA 1.369 59.629 58.200 0.101 0.000 0.981 40 S CB -0.602 62.630 63.200 0.054 0.000 0.818 40 S HN 0.430 nan 8.310 nan 0.000 0.472 41 K N 1.773 122.210 120.400 0.061 0.000 2.103 41 K HA 0.025 4.355 4.320 0.016 0.000 0.207 41 K C 2.265 178.885 176.600 0.033 0.000 1.048 41 K CA 1.483 57.788 56.287 0.031 0.000 0.930 41 K CB -1.028 31.487 32.500 0.024 0.000 0.716 41 K HN 0.662 nan 8.250 nan 0.000 0.444 42 R N -1.719 118.836 120.500 0.092 0.000 2.092 42 R HA 0.029 4.378 4.340 0.016 0.000 0.231 42 R C 2.226 178.550 176.300 0.040 0.000 1.119 42 R CA 1.409 57.583 56.100 0.122 0.000 0.970 42 R CB -0.365 30.093 30.300 0.262 0.000 0.864 42 R HN 0.527 nan 8.270 nan 0.000 0.440 43 F N 1.611 121.452 119.950 -0.182 0.000 2.187 43 F HA -0.069 4.468 4.527 0.016 0.000 0.295 43 F C 2.460 178.051 175.800 -0.348 0.000 1.091 43 F CA 1.087 58.751 58.000 -0.560 0.000 1.308 43 F CB -0.113 38.504 39.000 -0.638 0.000 1.030 43 F HN -0.235 nan 8.300 nan 0.000 0.487 44 R N 1.263 121.628 120.500 -0.226 0.000 2.103 44 R HA -0.157 4.193 4.340 0.016 0.000 0.242 44 R C 2.179 178.323 176.300 -0.260 0.000 1.142 44 R CA 2.164 58.113 56.100 -0.251 0.000 0.960 44 R CB -0.956 29.276 30.300 -0.113 0.000 0.858 44 R HN 0.116 nan 8.270 nan 0.000 0.439 45 K N 0.649 120.937 120.400 -0.187 0.000 2.097 45 K HA -0.045 4.285 4.320 0.016 0.000 0.206 45 K C 2.061 178.540 176.600 -0.202 0.000 1.049 45 K CA 1.573 57.770 56.287 -0.150 0.000 0.933 45 K CB -0.375 32.079 32.500 -0.078 0.000 0.717 45 K HN 0.480 nan 8.250 nan 0.000 0.442 46 E N 0.013 120.025 120.200 -0.313 0.000 2.158 46 E HA 0.055 4.414 4.350 0.016 0.000 0.191 46 E C 2.117 178.467 176.600 -0.417 0.000 0.982 46 E CA 0.875 57.068 56.400 -0.345 0.000 0.823 46 E CB -0.223 29.209 29.700 -0.447 0.000 0.766 46 E HN 0.452 nan 8.360 nan 0.000 0.468 47 M N 0.672 119.908 119.600 -0.606 0.000 2.073 47 M HA -0.207 4.283 4.480 0.016 0.000 0.258 47 M C 2.087 178.253 176.300 -0.223 0.000 1.070 47 M CA 1.715 56.745 55.300 -0.450 0.000 1.103 47 M CB -0.495 31.814 32.600 -0.484 0.000 1.321 47 M HN 0.042 nan 8.290 nan 0.000 0.405 48 E N -0.040 120.038 120.200 -0.203 0.000 2.150 48 E HA -0.191 4.168 4.350 0.016 0.000 0.193 48 E C 1.991 178.540 176.600 -0.085 0.000 0.985 48 E CA 0.915 57.238 56.400 -0.128 0.000 0.814 48 E CB -0.107 29.518 29.700 -0.125 0.000 0.752 48 E HN 0.398 nan 8.360 nan 0.000 0.466 49 K N 0.309 120.650 120.400 -0.098 0.000 2.057 49 K HA -0.115 4.214 4.320 0.016 0.000 0.207 49 K C 2.106 178.694 176.600 -0.020 0.000 1.049 49 K CA 1.376 57.629 56.287 -0.057 0.000 0.931 49 K CB -0.123 32.335 32.500 -0.069 0.000 0.714 49 K HN 0.158 nan 8.250 nan 0.000 0.440 50 G N 0.352 109.134 108.800 -0.030 0.000 2.464 50 G HA2 -0.115 3.855 3.960 0.016 0.000 0.217 50 G HA3 -0.115 3.855 3.960 0.016 0.000 0.217 50 G C 1.360 176.358 174.900 0.162 0.000 1.138 50 G CA 0.107 45.243 45.100 0.059 0.000 0.793 50 G HN 0.161 nan 8.290 nan 0.000 0.539 51 L N 0.749 122.004 121.223 0.053 0.000 2.240 51 L HA 0.167 4.517 4.340 0.016 0.000 0.211 51 L C 1.928 178.812 176.870 0.023 0.000 1.106 51 L CA 0.037 54.895 54.840 0.031 0.000 0.793 51 L CB -0.309 41.754 42.059 0.007 0.000 0.927 51 L HN 0.230 nan 8.230 nan 0.000 0.446 52 G N -1.250 107.570 108.800 0.033 0.000 2.403 52 G HA2 0.345 4.315 3.960 0.016 0.000 0.259 52 G HA3 0.345 4.315 3.960 0.016 0.000 0.259 52 G C 0.900 175.828 174.900 0.047 0.000 1.244 52 G CA 0.237 45.353 45.100 0.027 0.000 0.849 52 G HN 0.220 nan 8.290 nan 0.000 0.532 53 A N 2.046 124.879 122.820 0.022 0.000 1.902 53 A HA -0.089 4.241 4.320 0.016 0.000 0.217 53 A C 2.608 180.221 177.584 0.047 0.000 1.181 53 A CA 2.575 54.624 52.037 0.020 0.000 0.623 53 A CB -0.846 18.154 19.000 -0.001 0.000 0.818 53 A HN 1.016 nan 8.150 nan 0.000 0.443 54 T N -2.370 112.205 114.554 0.034 0.000 2.951 54 T HA -0.094 4.265 4.350 0.016 0.000 0.268 54 T C 1.612 176.335 174.700 0.039 0.000 1.073 54 T CA 2.096 64.214 62.100 0.031 0.000 1.134 54 T CB -0.773 68.105 68.868 0.016 0.000 0.884 54 T HN 0.553 nan 8.240 nan 0.000 0.479 55 T N -1.801 112.779 114.554 0.045 0.000 3.044 55 T HA 0.174 4.533 4.350 0.016 0.000 0.250 55 T C 1.567 176.294 174.700 0.045 0.000 1.081 55 T CA 0.611 62.730 62.100 0.031 0.000 1.040 55 T CB -0.526 68.349 68.868 0.011 0.000 0.962 55 T HN 0.615 nan 8.240 nan 0.000 0.506 56 H N 3.219 122.284 119.070 -0.009 0.000 2.289 56 H HA 0.008 4.573 4.556 0.016 0.000 0.296 56 H C -0.821 174.509 175.328 0.002 0.000 1.091 56 H CA 1.936 57.981 56.048 -0.004 0.000 1.274 56 H CB -1.220 28.543 29.762 0.002 0.000 1.364 56 H HN 0.260 nan 8.280 nan 0.000 0.490 57 P HA -0.178 nan 4.420 nan 0.000 0.216 57 P C 1.228 178.461 177.300 -0.111 0.000 1.154 57 P CA 2.894 65.955 63.100 -0.065 0.000 0.865 57 P CB -0.146 31.563 31.700 0.016 0.000 0.789 58 T N -4.921 109.586 114.554 -0.077 0.000 3.086 58 T HA 0.439 4.799 4.350 0.016 0.000 0.250 58 T C 0.800 175.460 174.700 -0.066 0.000 1.074 58 T CA -0.220 61.846 62.100 -0.058 0.000 0.988 58 T CB -0.445 68.407 68.868 -0.027 0.000 0.988 58 T HN 0.039 nan 8.240 nan 0.000 0.530 59 A N 1.117 123.872 122.820 -0.109 0.000 2.492 59 A HA 0.717 5.047 4.320 0.016 0.000 0.254 59 A C 1.788 179.329 177.584 -0.070 0.000 1.091 59 A CA 0.086 52.069 52.037 -0.090 0.000 0.768 59 A CB -0.130 18.803 19.000 -0.112 0.000 1.028 59 A HN 0.530 nan 8.150 nan 0.000 0.498 60 A N 3.060 125.874 122.820 -0.009 0.000 1.933 60 A HA 0.145 4.474 4.320 0.016 0.000 0.218 60 A C 0.950 178.575 177.584 0.068 0.000 1.175 60 A CA 1.443 53.507 52.037 0.045 0.000 0.628 60 A CB -0.365 18.694 19.000 0.098 0.000 0.814 60 A HN 0.879 nan 8.150 nan 0.000 0.444 61 V N 1.049 120.985 119.914 0.036 0.000 2.348 61 V HA 0.139 4.269 4.120 0.016 0.000 0.270 61 V C 0.754 176.852 176.094 0.006 0.000 1.037 61 V CA -0.279 62.048 62.300 0.045 0.000 0.872 61 V CB 1.054 32.846 31.823 -0.052 0.000 1.002 61 V HN 0.463 nan 8.190 nan 0.000 0.464 62 K N 3.555 123.984 120.400 0.049 0.000 2.186 62 K HA 0.184 4.514 4.320 0.016 0.000 0.202 62 K C 0.419 177.108 176.600 0.148 0.000 1.052 62 K CA 0.357 56.669 56.287 0.042 0.000 0.965 62 K CB 0.010 32.552 32.500 0.069 0.000 0.746 62 K HN 0.596 nan 8.250 nan 0.000 0.457 63 M N 1.005 120.672 119.600 0.111 0.000 2.573 63 M HA -0.183 4.306 4.480 0.016 0.000 0.184 63 M C -0.966 175.385 176.300 0.085 0.000 0.953 63 M CA 0.809 56.164 55.300 0.092 0.000 0.592 63 M CB -2.214 30.430 32.600 0.075 0.000 1.151 63 M HN 0.109 nan 8.290 nan 0.000 0.850 64 L N 2.100 123.370 121.223 0.078 0.000 2.319 64 L HA 0.380 4.729 4.340 0.016 0.000 0.280 64 L C -1.577 175.281 176.870 -0.020 0.000 1.099 64 L CA -1.764 53.118 54.840 0.069 0.000 0.828 64 L CB 0.664 42.779 42.059 0.094 0.000 1.150 64 L HN 0.100 nan 8.230 nan 0.000 0.442 65 P HA 0.043 nan 4.420 nan 0.000 0.268 65 P C 0.396 177.666 177.300 -0.049 0.000 1.205 65 P CA -0.140 62.866 63.100 -0.157 0.000 0.771 65 P CB 0.752 32.306 31.700 -0.242 0.000 0.858 66 T N -1.841 112.653 114.554 -0.100 0.000 2.975 66 T HA 0.200 4.559 4.350 0.016 0.000 0.257 66 T C 0.641 175.428 174.700 0.145 0.000 1.003 66 T CA -0.128 61.987 62.100 0.025 0.000 0.932 66 T CB -0.786 68.057 68.868 -0.041 0.000 1.087 66 T HN 0.194 nan 8.240 nan 0.000 0.512 67 F N 0.730 120.629 119.950 -0.084 0.000 3.034 67 F HA -0.176 4.360 4.527 0.016 0.000 0.286 67 F C -0.049 175.710 175.800 -0.068 0.000 0.804 67 F CA 0.084 58.038 58.000 -0.077 0.000 1.161 67 F CB -2.057 36.896 39.000 -0.077 0.000 1.317 67 F HN 0.123 nan 8.300 nan 0.000 0.453 68 V N 0.806 120.711 119.914 -0.015 0.000 2.348 68 V HA 0.240 4.369 4.120 0.016 0.000 0.270 68 V C 1.138 177.189 176.094 -0.072 0.000 1.037 68 V CA -0.221 62.062 62.300 -0.028 0.000 0.872 68 V CB 1.542 33.343 31.823 -0.036 0.000 1.002 68 V HN 0.202 nan 8.190 nan 0.000 0.464 69 R N 2.220 122.690 120.500 -0.050 0.000 2.362 69 R HA 0.303 4.652 4.340 0.016 0.000 0.227 69 R C 0.455 176.730 176.300 -0.041 0.000 0.905 69 R CA 0.187 56.249 56.100 -0.063 0.000 1.067 69 R CB 0.733 31.003 30.300 -0.049 0.000 1.078 69 R HN 0.619 nan 8.270 nan 0.000 0.516 70 S N -0.049 115.635 115.700 -0.026 0.000 2.542 70 S HA 0.147 4.626 4.470 0.016 0.000 0.276 70 S C -0.407 174.194 174.600 0.003 0.000 1.148 70 S CA -0.825 57.370 58.200 -0.009 0.000 0.886 70 S CB 1.156 64.355 63.200 -0.003 0.000 1.109 70 S HN 0.220 nan 8.310 nan 0.000 0.458 71 T N 2.564 117.128 114.554 0.018 0.000 2.748 71 T HA 0.537 4.896 4.350 0.016 0.000 0.304 71 T C -2.508 172.224 174.700 0.053 0.000 1.041 71 T CA -0.979 61.144 62.100 0.039 0.000 1.033 71 T CB -0.379 68.525 68.868 0.060 0.000 0.995 71 T HN 0.425 nan 8.240 nan 0.000 0.536 72 P HA 0.197 nan 4.420 nan 0.000 0.271 72 P C 0.095 177.441 177.300 0.077 0.000 1.233 72 P CA 0.036 63.208 63.100 0.120 0.000 0.795 72 P CB 0.300 32.162 31.700 0.270 0.000 0.936 73 D N -1.231 119.217 120.400 0.080 0.000 2.502 73 D HA 0.117 4.767 4.640 0.016 0.000 0.232 73 D C 1.376 177.693 176.300 0.028 0.000 1.137 73 D CA 0.842 54.861 54.000 0.032 0.000 0.827 73 D CB 0.021 40.849 40.800 0.046 0.000 1.141 73 D HN 0.507 nan 8.370 nan 0.000 0.517 74 G N 0.480 109.324 108.800 0.073 0.000 2.220 74 G HA2 -0.372 3.598 3.960 0.016 0.000 0.269 74 G HA3 -0.372 3.598 3.960 0.016 0.000 0.269 74 G C 1.250 176.222 174.900 0.120 0.000 0.977 74 G CA 1.489 46.639 45.100 0.083 0.000 0.634 74 G HN 0.493 nan 8.290 nan 0.000 0.539 75 T N -1.672 112.955 114.554 0.122 0.000 3.107 75 T HA 0.422 4.781 4.350 0.016 0.000 0.249 75 T C 0.655 175.496 174.700 0.235 0.000 1.096 75 T CA 0.895 63.085 62.100 0.150 0.000 1.012 75 T CB 0.411 69.347 68.868 0.113 0.000 0.977 75 T HN 0.407 nan 8.240 nan 0.000 0.527 76 E N 3.065 123.388 120.200 0.204 0.000 2.338 76 E HA 0.397 4.757 4.350 0.016 0.000 0.272 76 E C 0.176 176.927 176.600 0.252 0.000 1.029 76 E CA -0.302 56.203 56.400 0.175 0.000 0.872 76 E CB 0.310 30.079 29.700 0.114 0.000 1.015 76 E HN 0.676 nan 8.360 nan 0.000 0.417 77 H N 0.256 119.407 119.070 0.134 0.000 3.068 77 H HA 0.696 5.261 4.556 0.016 0.000 0.342 77 H C -0.169 175.148 175.328 -0.018 0.000 1.284 77 H CA -0.770 55.319 56.048 0.069 0.000 1.181 77 H CB 0.963 30.738 29.762 0.023 0.000 1.898 77 H HN 0.721 nan 8.280 nan 0.000 0.540 78 G N -0.492 108.202 108.800 -0.177 0.000 2.369 78 G HA2 0.437 4.407 3.960 0.016 0.000 0.295 78 G HA3 0.437 4.407 3.960 0.016 0.000 0.295 78 G C -1.747 172.683 174.900 -0.784 0.000 1.298 78 G CA -0.091 44.635 45.100 -0.624 0.000 0.940 78 G HN 0.995 nan 8.290 nan 0.000 0.536 79 E N -0.492 119.163 120.200 -0.908 0.000 2.141 79 E HA 0.715 5.074 4.350 0.016 0.000 0.259 79 E C -1.085 175.054 176.600 -0.769 0.000 0.883 79 E CA -0.792 55.194 56.400 -0.690 0.000 0.744 79 E CB 0.881 30.424 29.700 -0.261 0.000 1.150 79 E HN 0.833 nan 8.360 nan 0.000 0.420 80 F N 0.847 120.636 119.950 -0.269 0.000 2.480 80 F HA 0.589 5.126 4.527 0.016 0.000 0.329 80 F C 0.544 176.296 175.800 -0.081 0.000 1.091 80 F CA -1.129 56.782 58.000 -0.149 0.000 0.972 80 F CB 1.627 40.538 39.000 -0.148 0.000 1.150 80 F HN 0.410 nan 8.300 nan 0.000 0.467 81 L N 2.156 123.510 121.223 0.217 0.000 2.468 81 L HA 0.767 5.117 4.340 0.016 0.000 0.254 81 L C 0.037 177.008 176.870 0.168 0.000 1.171 81 L CA -0.609 54.367 54.840 0.227 0.000 0.809 81 L CB 0.948 43.146 42.059 0.231 0.000 1.155 81 L HN 0.816 nan 8.230 nan 0.000 0.473 82 A N 1.676 124.564 122.820 0.113 0.000 2.574 82 A HA 0.770 5.100 4.320 0.016 0.000 0.297 82 A C -1.396 176.204 177.584 0.027 0.000 1.062 82 A CA -0.510 51.571 52.037 0.073 0.000 0.686 82 A CB 1.294 20.324 19.000 0.050 0.000 1.285 82 A HN 0.526 nan 8.150 nan 0.000 0.403 83 L N 1.269 122.554 121.223 0.104 0.000 2.346 83 L HA 0.636 4.986 4.340 0.016 0.000 0.274 83 L C -1.077 175.980 176.870 0.311 0.000 1.007 83 L CA -0.770 54.166 54.840 0.160 0.000 0.818 83 L CB 2.177 44.325 42.059 0.148 0.000 1.284 83 L HN 0.727 nan 8.230 nan 0.000 0.424 84 D N 3.207 123.778 120.400 0.287 0.000 2.542 84 D HA 0.559 5.209 4.640 0.016 0.000 0.252 84 D C -1.724 174.834 176.300 0.431 0.000 1.222 84 D CA -0.230 53.933 54.000 0.272 0.000 0.895 84 D CB 1.912 42.782 40.800 0.117 0.000 1.207 84 D HN 0.239 nan 8.370 nan 0.000 0.558 85 L N 3.174 124.629 121.223 0.386 0.000 2.470 85 L HA 0.726 5.075 4.340 0.016 0.000 0.268 85 L C 0.601 177.491 176.870 0.033 0.000 0.964 85 L CA 0.396 55.462 54.840 0.376 0.000 0.839 85 L CB 1.900 44.274 42.059 0.525 0.000 1.276 85 L HN 0.598 nan 8.230 nan 0.000 0.403 86 G N 2.334 111.129 108.800 -0.008 0.000 2.227 86 G HA2 -0.024 3.946 3.960 0.016 0.000 0.168 86 G HA3 -0.024 3.946 3.960 0.016 0.000 0.168 86 G C 0.266 175.103 174.900 -0.106 0.000 1.006 86 G CA -0.078 44.839 45.100 -0.304 0.000 0.684 86 G HN 1.151 nan 8.290 nan 0.000 0.489 87 G N -0.441 108.369 108.800 0.016 0.000 2.583 87 G HA2 0.575 4.545 3.960 0.016 0.000 0.280 87 G HA3 0.575 4.545 3.960 0.016 0.000 0.280 87 G C 1.361 176.334 174.900 0.122 0.000 1.376 87 G CA 1.096 46.221 45.100 0.041 0.000 1.043 87 G HN 0.924 nan 8.290 nan 0.000 0.538 88 T N -1.910 112.694 114.554 0.084 0.000 2.867 88 T HA -0.018 4.341 4.350 0.016 0.000 0.268 88 T C 0.674 175.445 174.700 0.118 0.000 1.057 88 T CA 0.756 62.907 62.100 0.084 0.000 1.136 88 T CB -0.081 68.814 68.868 0.045 0.000 0.874 88 T HN 0.247 nan 8.240 nan 0.000 0.466 89 N N 1.138 119.917 118.700 0.132 0.000 2.491 89 N HA 0.335 5.085 4.740 0.016 0.000 0.274 89 N C -1.749 173.902 175.510 0.235 0.000 1.023 89 N CA -0.597 52.547 53.050 0.158 0.000 0.902 89 N CB 1.568 40.109 38.487 0.090 0.000 1.267 89 N HN 0.248 nan 8.380 nan 0.000 0.503 90 F N 3.026 123.065 119.950 0.148 0.000 2.504 90 F HA 0.286 4.823 4.527 0.016 0.000 0.369 90 F C 0.359 176.253 175.800 0.157 0.000 1.082 90 F CA -0.248 57.854 58.000 0.170 0.000 1.216 90 F CB 0.383 39.514 39.000 0.218 0.000 1.108 90 F HN 0.312 nan 8.300 nan 0.000 0.554 91 R N 4.504 124.795 120.500 -0.348 0.000 2.750 91 R HA 0.751 5.100 4.340 0.016 0.000 0.281 91 R C -1.815 174.102 176.300 -0.638 0.000 0.972 91 R CA -0.922 54.931 56.100 -0.412 0.000 0.912 91 R CB 2.084 32.297 30.300 -0.146 0.000 1.187 91 R HN 0.552 nan 8.270 nan 0.000 0.464 92 V N 4.987 124.520 119.914 -0.634 0.000 2.555 92 V HA 0.530 4.659 4.120 0.016 0.000 0.302 92 V C -0.709 174.864 176.094 -0.868 0.000 1.038 92 V CA -0.724 61.131 62.300 -0.742 0.000 0.887 92 V CB 1.572 32.844 31.823 -0.918 0.000 0.991 92 V HN 0.561 nan 8.190 nan 0.000 0.434 93 L N 2.924 123.865 121.223 -0.470 0.000 2.303 93 L HA 0.703 5.052 4.340 0.016 0.000 0.256 93 L C -1.196 175.836 176.870 0.271 0.000 1.034 93 L CA -0.349 54.416 54.840 -0.124 0.000 0.832 93 L CB 1.972 44.024 42.059 -0.011 0.000 1.403 93 L HN 0.776 nan 8.230 nan 0.000 0.419 94 W N 1.081 122.525 121.300 0.241 0.000 2.830 94 W HA 0.799 5.469 4.660 0.016 0.000 0.335 94 W C -2.055 174.557 176.519 0.155 0.000 1.043 94 W CA -0.683 56.807 57.345 0.242 0.000 1.239 94 W CB 1.559 31.179 29.460 0.268 0.000 1.378 94 W HN 0.249 nan 8.180 nan 0.000 0.456 95 V N 5.983 125.656 119.914 -0.400 0.000 2.656 95 V HA 0.542 4.672 4.120 0.016 0.000 0.307 95 V C -0.667 174.978 176.094 -0.747 0.000 1.051 95 V CA -1.270 60.763 62.300 -0.444 0.000 0.893 95 V CB 1.672 33.417 31.823 -0.131 0.000 0.999 95 V HN 0.480 nan 8.190 nan 0.000 0.426 96 K N 3.090 123.041 120.400 -0.747 0.000 2.471 96 K HA 0.810 5.139 4.320 0.016 0.000 0.252 96 K C -1.512 174.950 176.600 -0.231 0.000 0.938 96 K CA -0.371 55.582 56.287 -0.556 0.000 0.796 96 K CB 2.256 34.349 32.500 -0.677 0.000 1.161 96 K HN 0.541 nan 8.250 nan 0.000 0.425 106 E N 5.092 125.288 120.200 -0.006 0.000 2.227 106 E HA 0.757 5.117 4.350 0.016 0.000 0.282 106 E C -0.829 175.814 176.600 0.073 0.000 1.015 106 E CA -0.451 56.006 56.400 0.094 0.000 0.823 106 E CB 1.859 31.694 29.700 0.226 0.000 1.081 106 E HN 0.572 nan 8.360 nan 0.000 0.396 107 M N 1.978 121.699 119.600 0.202 0.000 2.518 107 M HA 0.398 4.887 4.480 0.016 0.000 0.300 107 M C -0.837 175.679 176.300 0.360 0.000 1.175 107 M CA -0.534 54.913 55.300 0.245 0.000 0.890 107 M CB 2.578 35.251 32.600 0.122 0.000 1.710 107 M HN 0.377 nan 8.290 nan 0.000 0.453 108 E N 1.664 122.139 120.200 0.457 0.000 2.321 108 E HA 0.426 4.785 4.350 0.016 0.000 0.278 108 E C -1.644 175.239 176.600 0.471 0.000 0.902 108 E CA -0.793 55.831 56.400 0.373 0.000 0.758 108 E CB 2.686 32.549 29.700 0.272 0.000 1.213 108 E HN 0.754 nan 8.360 nan 0.000 0.426 109 N N 1.484 120.392 118.700 0.347 0.000 2.525 109 N HA 0.404 5.154 4.740 0.016 0.000 0.270 109 N C -1.514 174.124 175.510 0.213 0.000 1.321 109 N CA -0.836 52.334 53.050 0.201 0.000 0.797 109 N CB 1.970 40.485 38.487 0.046 0.000 1.529 109 N HN 0.347 nan 8.380 nan 0.000 0.491 110 Q N 0.650 120.453 119.800 0.006 0.000 2.289 110 Q HA 0.516 4.865 4.340 0.016 0.000 0.270 110 Q C -1.487 174.434 176.000 -0.133 0.000 1.038 110 Q CA -0.713 55.081 55.803 -0.015 0.000 0.812 110 Q CB 1.650 30.445 28.738 0.096 0.000 1.300 110 Q HN 0.701 nan 8.270 nan 0.000 0.427 111 I N 3.466 123.934 120.570 -0.170 0.000 2.519 111 I HA 0.254 4.434 4.170 0.016 0.000 0.287 111 I C -0.869 175.111 176.117 -0.228 0.000 1.047 111 I CA -0.415 60.819 61.300 -0.110 0.000 1.381 111 I CB 0.456 38.429 38.000 -0.045 0.000 1.417 111 I HN 0.602 nan 8.210 nan 0.000 0.540 112 Y N 3.237 123.515 120.300 -0.037 0.000 2.406 112 Y HA 0.539 5.099 4.550 0.016 0.000 0.340 112 Y C 0.331 176.395 175.900 0.273 0.000 0.975 112 Y CA -0.975 57.190 58.100 0.109 0.000 1.056 112 Y CB 1.803 40.332 38.460 0.114 0.000 1.210 112 Y HN 0.601 nan 8.280 nan 0.000 0.448 113 A N 4.259 127.288 122.820 0.350 0.000 2.477 113 A HA 0.481 4.810 4.320 0.016 0.000 0.246 113 A C -0.318 177.502 177.584 0.393 0.000 1.078 113 A CA -0.130 52.078 52.037 0.285 0.000 0.770 113 A CB -0.213 18.882 19.000 0.158 0.000 1.011 113 A HN 0.710 nan 8.150 nan 0.000 0.494 114 I N 4.325 125.043 120.570 0.247 0.000 2.330 114 I HA 0.221 4.400 4.170 0.016 0.000 0.286 114 I C -2.076 173.972 176.117 -0.116 0.000 1.025 114 I CA -1.834 59.482 61.300 0.028 0.000 1.197 114 I CB 1.245 39.235 38.000 -0.016 0.000 1.358 114 I HN 0.457 nan 8.210 nan 0.000 0.467 115 P HA -0.059 nan 4.420 nan 0.000 0.267 115 P C 0.844 178.022 177.300 -0.202 0.000 1.201 115 P CA -0.041 62.962 63.100 -0.162 0.000 0.775 115 P CB 0.800 32.397 31.700 -0.170 0.000 0.854 116 E N 1.519 121.619 120.200 -0.168 0.000 2.204 116 E HA -0.201 4.158 4.350 0.016 0.000 0.195 116 E C 1.117 177.599 176.600 -0.195 0.000 0.990 116 E CA 1.344 57.629 56.400 -0.192 0.000 0.821 116 E CB -0.114 29.503 29.700 -0.137 0.000 0.750 116 E HN 0.573 nan 8.360 nan 0.000 0.477 117 D N -0.650 119.654 120.400 -0.160 0.000 2.323 117 D HA -0.082 4.568 4.640 0.016 0.000 0.209 117 D C 2.058 178.261 176.300 -0.161 0.000 0.973 117 D CA 0.213 54.129 54.000 -0.139 0.000 0.874 117 D CB -0.249 40.492 40.800 -0.100 0.000 0.930 117 D HN 0.262 nan 8.370 nan 0.000 0.521 118 I N 0.252 120.699 120.570 -0.206 0.000 2.429 118 I HA -0.094 4.085 4.170 0.016 0.000 0.247 118 I C 2.711 178.667 176.117 -0.267 0.000 1.099 118 I CA 0.335 61.501 61.300 -0.223 0.000 1.422 118 I CB -0.088 37.729 38.000 -0.305 0.000 1.112 118 I HN -0.183 nan 8.210 nan 0.000 0.430 119 M N 0.000 119.380 119.600 -0.367 0.000 2.192 119 M HA -0.237 4.253 4.480 0.016 0.000 0.259 119 M C 1.472 177.467 176.300 -0.509 0.000 1.071 119 M CA 1.888 56.838 55.300 -0.583 0.000 1.082 119 M CB -0.208 31.909 32.600 -0.806 0.000 1.373 119 M HN 0.161 nan 8.290 nan 0.000 0.408 120 R N -1.043 119.252 120.500 -0.343 0.000 2.543 120 R HA 0.226 4.576 4.340 0.016 0.000 0.323 120 R C 1.052 177.255 176.300 -0.163 0.000 1.002 120 R CA -0.094 55.852 56.100 -0.258 0.000 1.106 120 R CB 0.540 30.715 30.300 -0.208 0.000 1.280 120 R HN 0.309 nan 8.270 nan 0.000 0.549 121 G N 0.969 109.681 108.800 -0.147 0.000 3.152 121 G HA2 0.019 3.989 3.960 0.016 0.000 0.157 121 G HA3 0.019 3.989 3.960 0.016 0.000 0.157 121 G C 0.065 174.944 174.900 -0.035 0.000 1.786 121 G CA -0.024 45.028 45.100 -0.080 0.000 1.055 121 G HN 0.242 nan 8.290 nan 0.000 0.528 122 S N -1.281 114.421 115.700 0.004 0.000 2.621 122 S HA 0.565 5.044 4.470 0.016 0.000 0.302 122 S C 1.386 176.056 174.600 0.117 0.000 1.093 122 S CA 0.288 58.526 58.200 0.062 0.000 1.017 122 S CB 1.421 64.659 63.200 0.064 0.000 1.077 122 S HN 0.911 nan 8.310 nan 0.000 0.517 123 G N 1.660 110.581 108.800 0.202 0.000 2.586 123 G HA2 -0.242 3.728 3.960 0.016 0.000 0.218 123 G HA3 -0.242 3.728 3.960 0.016 0.000 0.218 123 G C 1.241 176.356 174.900 0.358 0.000 1.216 123 G CA 1.707 47.016 45.100 0.348 0.000 0.786 123 G HN 0.817 nan 8.290 nan 0.000 0.583 124 T N 0.728 115.421 114.554 0.233 0.000 2.620 124 T HA -0.228 4.132 4.350 0.016 0.000 0.267 124 T C 2.847 177.658 174.700 0.185 0.000 1.044 124 T CA 3.220 65.434 62.100 0.190 0.000 1.161 124 T CB -0.915 68.020 68.868 0.111 0.000 0.862 124 T HN 0.630 nan 8.240 nan 0.000 0.438 125 Q N 0.595 120.471 119.800 0.127 0.000 2.124 125 Q HA 0.063 4.412 4.340 0.016 0.000 0.202 125 Q C 2.333 178.380 176.000 0.079 0.000 0.977 125 Q CA 1.700 57.554 55.803 0.085 0.000 0.850 125 Q CB -1.047 27.711 28.738 0.034 0.000 0.901 125 Q HN 0.500 nan 8.270 nan 0.000 0.429 126 L N -0.817 120.439 121.223 0.055 0.000 2.093 126 L HA 0.072 4.421 4.340 0.016 0.000 0.208 126 L C 2.250 179.077 176.870 -0.072 0.000 1.085 126 L CA 1.845 56.654 54.840 -0.051 0.000 0.755 126 L CB -0.780 41.198 42.059 -0.135 0.000 0.904 126 L HN 0.459 nan 8.230 nan 0.000 0.435 127 F N -0.027 119.986 119.950 0.105 0.000 2.163 127 F HA -0.128 4.409 4.527 0.016 0.000 0.297 127 F C 2.233 178.077 175.800 0.073 0.000 1.094 127 F CA 1.242 59.291 58.000 0.082 0.000 1.290 127 F CB -0.468 38.571 39.000 0.065 0.000 1.017 127 F HN 0.126 nan 8.300 nan 0.000 0.483 128 D N -0.895 119.644 120.400 0.231 0.000 2.149 128 D HA -0.273 4.377 4.640 0.016 0.000 0.194 128 D C 1.933 178.322 176.300 0.149 0.000 1.001 128 D CA 1.850 55.949 54.000 0.166 0.000 0.849 128 D CB -0.718 40.166 40.800 0.140 0.000 0.939 128 D HN 0.342 nan 8.370 nan 0.000 0.449 129 H N 0.145 119.242 119.070 0.044 0.000 2.353 129 H HA -0.011 4.554 4.556 0.016 0.000 0.300 129 H C 2.084 177.425 175.328 0.022 0.000 1.090 129 H CA 1.326 57.388 56.048 0.023 0.000 1.327 129 H CB -0.321 29.432 29.762 -0.016 0.000 1.383 129 H HN 0.117 nan 8.280 nan 0.000 0.508 130 I N 0.122 120.660 120.570 -0.052 0.000 2.202 130 I HA -0.215 3.964 4.170 0.016 0.000 0.242 130 I C 2.768 178.895 176.117 0.017 0.000 1.091 130 I CA 0.959 62.224 61.300 -0.057 0.000 1.368 130 I CB -0.552 37.392 38.000 -0.093 0.000 1.058 130 I HN 0.416 nan 8.210 nan 0.000 0.410 131 A N 0.520 123.392 122.820 0.088 0.000 1.917 131 A HA -0.306 4.024 4.320 0.016 0.000 0.219 131 A C 2.326 179.958 177.584 0.081 0.000 1.182 131 A CA 2.272 54.406 52.037 0.161 0.000 0.633 131 A CB -0.730 18.387 19.000 0.196 0.000 0.819 131 A HN 0.558 nan 8.150 nan 0.000 0.448 132 E N -0.618 119.586 120.200 0.007 0.000 2.028 132 E HA -0.199 4.161 4.350 0.016 0.000 0.191 132 E C 1.999 178.510 176.600 -0.150 0.000 0.988 132 E CA 1.650 58.025 56.400 -0.042 0.000 0.799 132 E CB -0.342 29.350 29.700 -0.012 0.000 0.755 132 E HN 0.605 nan 8.360 nan 0.000 0.447 133 C N 0.768 119.890 119.300 -0.297 0.000 2.411 133 C HA -0.118 4.351 4.460 0.016 0.000 0.279 133 C C 2.564 177.232 174.990 -0.536 0.000 1.288 133 C CA 0.324 58.964 59.018 -0.630 0.000 1.764 133 C CB -1.092 26.042 27.740 -1.010 0.000 1.974 133 C HN 0.529 nan 8.230 nan 0.000 0.498 134 L N 2.220 123.267 121.223 -0.294 0.000 1.961 134 L HA -0.017 4.332 4.340 0.016 0.000 0.210 134 L C 2.702 179.394 176.870 -0.297 0.000 1.072 134 L CA 2.429 57.154 54.840 -0.192 0.000 0.749 134 L CB -1.375 40.677 42.059 -0.012 0.000 0.889 134 L HN 0.259 nan 8.230 nan 0.000 0.432 135 A N -0.108 122.416 122.820 -0.494 0.000 1.915 135 A HA -0.387 3.943 4.320 0.016 0.000 0.220 135 A C 2.298 179.723 177.584 -0.265 0.000 1.198 135 A CA 2.515 54.194 52.037 -0.597 0.000 0.647 135 A CB -1.386 17.397 19.000 -0.361 0.000 0.825 135 A HN 0.773 nan 8.150 nan 0.000 0.456 136 N N -1.601 117.028 118.700 -0.117 0.000 2.120 136 N HA -0.185 4.564 4.740 0.016 0.000 0.188 136 N C 1.741 177.298 175.510 0.077 0.000 1.024 136 N CA 1.782 54.840 53.050 0.012 0.000 0.852 136 N CB -0.300 38.271 38.487 0.140 0.000 1.003 136 N HN 0.435 nan 8.380 nan 0.000 0.424 137 F N 1.628 121.550 119.950 -0.047 0.000 2.171 137 F HA 0.021 4.558 4.527 0.016 0.000 0.300 137 F C 2.433 178.194 175.800 -0.066 0.000 1.090 137 F CA 1.093 59.097 58.000 0.007 0.000 1.293 137 F CB -0.227 38.776 39.000 0.005 0.000 1.013 137 F HN 0.015 nan 8.300 nan 0.000 0.486 138 M N -0.327 119.228 119.600 -0.076 0.000 2.175 138 M HA -0.207 4.283 4.480 0.016 0.000 0.264 138 M C 1.793 177.975 176.300 -0.197 0.000 1.063 138 M CA 1.567 56.766 55.300 -0.168 0.000 1.119 138 M CB -0.532 31.954 32.600 -0.190 0.000 1.377 138 M HN 0.027 nan 8.290 nan 0.000 0.415 139 D N 0.473 120.775 120.400 -0.163 0.000 2.097 139 D HA -0.148 4.502 4.640 0.016 0.000 0.195 139 D C 1.959 178.163 176.300 -0.161 0.000 0.989 139 D CA 1.078 54.998 54.000 -0.132 0.000 0.827 139 D CB -0.316 40.431 40.800 -0.089 0.000 0.966 139 D HN 0.247 nan 8.370 nan 0.000 0.456 140 K N 0.542 120.832 120.400 -0.183 0.000 2.032 140 K HA -0.140 4.190 4.320 0.016 0.000 0.218 140 K C 2.117 178.531 176.600 -0.310 0.000 1.054 140 K CA 0.903 57.051 56.287 -0.231 0.000 0.941 140 K CB -0.408 31.931 32.500 -0.269 0.000 0.720 140 K HN 0.228 nan 8.250 nan 0.000 0.449 141 L N 0.323 121.277 121.223 -0.448 0.000 2.599 141 L HA -0.011 4.338 4.340 0.016 0.000 0.230 141 L C 0.722 177.399 176.870 -0.320 0.000 1.141 141 L CA 0.333 54.895 54.840 -0.462 0.000 0.877 141 L CB -0.228 41.435 42.059 -0.661 0.000 1.009 141 L HN 0.350 nan 8.230 nan 0.000 0.447 142 Q N -0.372 119.288 119.800 -0.234 0.000 2.362 142 Q HA -0.226 4.124 4.340 0.016 0.000 0.220 142 Q C 0.844 176.768 176.000 -0.126 0.000 0.713 142 Q CA 1.142 56.851 55.803 -0.157 0.000 1.345 142 Q CB -1.191 27.463 28.738 -0.140 0.000 1.570 142 Q HN 0.745 nan 8.270 nan 0.000 0.701 143 I N -2.170 118.314 120.570 -0.143 0.000 3.771 143 I HA 0.182 4.362 4.170 0.016 0.000 0.327 143 I C 1.178 177.283 176.117 -0.019 0.000 1.435 143 I CA 0.247 61.503 61.300 -0.074 0.000 1.259 143 I CB 0.011 37.968 38.000 -0.071 0.000 1.292 143 I HN 0.057 nan 8.210 nan 0.000 0.429 144 K N 1.140 121.524 120.400 -0.027 0.000 2.262 144 K HA -0.040 4.290 4.320 0.016 0.000 0.200 144 K C 1.388 178.030 176.600 0.070 0.000 1.049 144 K CA 0.750 57.041 56.287 0.006 0.000 0.979 144 K CB 0.267 32.748 32.500 -0.031 0.000 0.773 144 K HN 0.375 nan 8.250 nan 0.000 0.474 145 D N 1.350 121.777 120.400 0.045 0.000 2.178 145 D HA -0.095 4.554 4.640 0.016 0.000 0.202 145 D C -0.004 176.338 176.300 0.070 0.000 0.974 145 D CA 0.949 54.981 54.000 0.054 0.000 0.841 145 D CB 0.135 40.952 40.800 0.029 0.000 0.953 145 D HN 0.194 nan 8.370 nan 0.000 0.478 146 K N 1.195 121.638 120.400 0.071 0.000 2.469 146 K HA 0.018 4.347 4.320 0.016 0.000 0.274 146 K C 0.622 177.286 176.600 0.107 0.000 0.983 146 K CA 0.282 56.616 56.287 0.079 0.000 0.974 146 K CB 0.756 33.304 32.500 0.080 0.000 0.913 146 K HN -0.149 nan 8.250 nan 0.000 0.493 147 K N 4.669 125.117 120.400 0.081 0.000 2.423 147 K HA 0.206 4.535 4.320 0.016 0.000 0.234 147 K C -0.999 175.647 176.600 0.076 0.000 1.051 147 K CA -0.232 56.101 56.287 0.078 0.000 1.021 147 K CB 0.159 32.689 32.500 0.051 0.000 1.474 147 K HN 0.445 nan 8.250 nan 0.000 0.474 148 L N 4.764 126.044 121.223 0.096 0.000 2.344 148 L HA 0.556 4.905 4.340 0.016 0.000 0.272 148 L C -1.974 174.959 176.870 0.105 0.000 1.035 148 L CA -2.450 52.431 54.840 0.068 0.000 0.807 148 L CB 1.405 43.511 42.059 0.080 0.000 1.237 148 L HN 0.501 nan 8.230 nan 0.000 0.442 149 P HA 0.217 nan 4.420 nan 0.000 0.274 149 P C -1.233 176.215 177.300 0.247 0.000 1.246 149 P CA -0.346 62.882 63.100 0.214 0.000 0.795 149 P CB 1.415 33.308 31.700 0.321 0.000 1.006 150 L N 0.424 121.772 121.223 0.209 0.000 2.470 150 L HA 0.636 4.985 4.340 0.016 0.000 0.268 150 L C -0.180 176.767 176.870 0.128 0.000 0.964 150 L CA -0.492 54.448 54.840 0.166 0.000 0.839 150 L CB 1.738 43.868 42.059 0.119 0.000 1.276 150 L HN 0.458 nan 8.230 nan 0.000 0.403 151 G N 3.461 112.316 108.800 0.092 0.000 2.327 151 G HA2 0.344 4.313 3.960 0.016 0.000 0.302 151 G HA3 0.344 4.313 3.960 0.016 0.000 0.302 151 G C -1.135 173.883 174.900 0.197 0.000 1.113 151 G CA -0.203 44.939 45.100 0.071 0.000 0.921 151 G HN 0.405 nan 8.290 nan 0.000 0.425 152 F N 3.877 123.853 119.950 0.044 0.000 2.291 152 F HA 0.391 4.928 4.527 0.016 0.000 0.368 152 F C 0.525 176.398 175.800 0.121 0.000 1.085 152 F CA -1.417 56.641 58.000 0.096 0.000 1.165 152 F CB 0.571 39.623 39.000 0.086 0.000 1.429 152 F HN 0.224 nan 8.300 nan 0.000 0.503 153 T N 6.937 121.679 114.554 0.314 0.000 2.769 153 T HA 0.143 4.502 4.350 0.016 0.000 0.293 153 T C -0.802 173.959 174.700 0.102 0.000 0.931 153 T CA 0.412 62.587 62.100 0.125 0.000 1.139 153 T CB -0.277 68.646 68.868 0.091 0.000 0.881 153 T HN 0.375 nan 8.240 nan 0.000 0.532 154 F N 3.082 122.860 119.950 -0.288 0.000 2.500 154 F HA 0.370 4.906 4.527 0.016 0.000 0.349 154 F C 0.238 175.896 175.800 -0.238 0.000 1.127 154 F CA -1.069 56.728 58.000 -0.339 0.000 0.998 154 F CB 1.259 39.829 39.000 -0.716 0.000 1.237 154 F HN 0.389 nan 8.300 nan 0.000 0.439 155 S N 6.830 122.035 115.700 -0.825 0.000 3.697 155 S HA 0.370 4.849 4.470 0.016 0.000 0.207 155 S C -0.925 172.803 174.600 -1.454 0.000 1.459 155 S CA 0.035 57.668 58.200 -0.945 0.000 1.122 155 S CB -1.004 61.699 63.200 -0.828 0.000 1.311 155 S HN 0.424 nan 8.310 nan 0.000 0.487 156 F N 0.713 120.383 119.950 -0.467 0.000 2.662 156 F HA 0.447 4.983 4.527 0.016 0.000 0.312 156 F C -2.613 173.099 175.800 -0.147 0.000 1.113 156 F CA -2.623 55.178 58.000 -0.332 0.000 0.951 156 F CB 0.950 39.628 39.000 -0.536 0.000 1.344 156 F HN -0.134 nan 8.300 nan 0.000 0.462 157 P HA 0.172 nan 4.420 nan 0.000 0.271 157 P C -0.948 176.434 177.300 0.136 0.000 1.233 157 P CA 0.126 63.295 63.100 0.114 0.000 0.764 157 P CB 0.524 32.293 31.700 0.115 0.000 0.825 158 C N 3.094 122.481 119.300 0.145 0.000 2.626 158 C HA 0.370 4.840 4.460 0.016 0.000 0.310 158 C C 0.159 175.267 174.990 0.196 0.000 1.191 158 C CA -0.454 58.669 59.018 0.173 0.000 1.517 158 C CB 0.692 28.530 27.740 0.164 0.000 2.102 158 C HN 0.657 nan 8.230 nan 0.000 0.479 159 H N 3.052 122.213 119.070 0.152 0.000 2.668 159 H HA 0.517 5.082 4.556 0.016 0.000 0.303 159 H C -0.127 175.324 175.328 0.206 0.000 1.074 159 H CA 0.510 56.652 56.048 0.157 0.000 1.406 159 H CB 0.520 30.351 29.762 0.114 0.000 1.442 159 H HN 0.760 nan 8.280 nan 0.000 0.482 160 Q N 2.610 122.250 119.800 -0.266 0.000 2.345 160 Q HA 0.288 4.638 4.340 0.016 0.000 0.275 160 Q C -0.770 175.051 176.000 -0.297 0.000 1.063 160 Q CA -0.587 55.083 55.803 -0.222 0.000 0.819 160 Q CB 1.789 30.493 28.738 -0.057 0.000 1.356 160 Q HN 0.675 nan 8.270 nan 0.000 0.418 161 T N -1.630 112.678 114.554 -0.410 0.000 3.044 161 T HA 0.271 4.631 4.350 0.016 0.000 0.260 161 T C -0.085 173.857 174.700 -1.265 0.000 1.019 161 T CA -0.013 61.716 62.100 -0.619 0.000 0.921 161 T CB -0.027 68.660 68.868 -0.303 0.000 1.053 161 T HN 0.693 nan 8.240 nan 0.000 0.533 162 K N 0.014 119.870 120.400 -0.905 0.000 2.548 162 K HA 0.517 4.847 4.320 0.016 0.000 0.282 162 K C -0.038 176.336 176.600 -0.377 0.000 1.006 162 K CA -1.029 54.793 56.287 -0.774 0.000 0.892 162 K CB 0.858 33.095 32.500 -0.438 0.000 1.499 162 K HN -0.099 nan 8.250 nan 0.000 0.433 163 L N 0.516 121.620 121.223 -0.197 0.000 2.191 163 L HA -0.142 4.207 4.340 0.016 0.000 0.212 163 L C 0.893 177.721 176.870 -0.072 0.000 1.103 163 L CA 1.454 56.255 54.840 -0.065 0.000 0.769 163 L CB -0.418 41.629 42.059 -0.021 0.000 0.908 163 L HN 0.763 nan 8.230 nan 0.000 0.438 164 D N -0.290 120.048 120.400 -0.103 0.000 2.587 164 D HA 0.050 4.700 4.640 0.016 0.000 0.233 164 D C 0.184 176.421 176.300 -0.105 0.000 1.213 164 D CA -0.135 53.817 54.000 -0.080 0.000 0.827 164 D CB -0.023 40.733 40.800 -0.072 0.000 1.006 164 D HN 0.561 nan 8.370 nan 0.000 0.490 165 E N -1.649 118.478 120.200 -0.122 0.000 2.430 165 E HA 0.612 4.972 4.350 0.016 0.000 0.279 165 E C -1.558 174.945 176.600 -0.161 0.000 1.003 165 E CA -1.013 55.284 56.400 -0.171 0.000 0.801 165 E CB 1.555 31.177 29.700 -0.130 0.000 1.313 165 E HN -0.132 nan 8.360 nan 0.000 0.459 166 S N 0.833 116.373 115.700 -0.266 0.000 2.550 166 S HA 0.308 4.787 4.470 0.016 0.000 0.274 166 S C -1.665 172.786 174.600 -0.249 0.000 1.110 166 S CA -0.709 57.402 58.200 -0.149 0.000 1.013 166 S CB 0.258 63.389 63.200 -0.115 0.000 1.152 166 S HN 0.432 nan 8.310 nan 0.000 0.450 167 F N 2.795 122.748 119.950 0.004 0.000 2.404 167 F HA 0.404 4.940 4.527 0.016 0.000 0.358 167 F C 0.390 176.194 175.800 0.007 0.000 1.120 167 F CA -0.810 57.193 58.000 0.005 0.000 1.144 167 F CB 0.692 39.735 39.000 0.072 0.000 1.133 167 F HN 0.415 nan 8.300 nan 0.000 0.495 168 L N 5.408 126.660 121.223 0.048 0.000 2.615 168 L HA 0.032 4.381 4.340 0.016 0.000 0.271 168 L C 0.530 177.401 176.870 0.002 0.000 1.183 168 L CA 0.479 55.310 54.840 -0.015 0.000 0.933 168 L CB 0.506 42.419 42.059 -0.242 0.000 1.199 168 L HN 0.624 nan 8.230 nan 0.000 0.487 169 V N 3.200 123.136 119.914 0.037 0.000 2.323 169 V HA 0.032 4.161 4.120 0.016 0.000 0.244 169 V C 0.997 177.079 176.094 -0.019 0.000 1.041 169 V CA 1.464 63.785 62.300 0.034 0.000 1.025 169 V CB -0.217 31.653 31.823 0.077 0.000 0.656 169 V HN 0.908 nan 8.190 nan 0.000 0.451 170 S N -2.523 113.143 115.700 -0.055 0.000 2.542 170 S HA 0.367 4.847 4.470 0.016 0.000 0.276 170 S C -1.708 172.845 174.600 -0.077 0.000 1.148 170 S CA -0.931 57.242 58.200 -0.046 0.000 0.886 170 S CB 0.670 63.909 63.200 0.065 0.000 1.109 170 S HN 0.283 nan 8.310 nan 0.000 0.458 171 W N 2.814 124.120 121.300 0.010 0.000 2.137 171 W HA 0.450 5.119 4.660 0.016 0.000 0.344 171 W C 1.139 177.730 176.519 0.119 0.000 1.286 171 W CA 0.261 57.567 57.345 -0.064 0.000 1.240 171 W CB 1.042 30.478 29.460 -0.040 0.000 1.141 171 W HN 0.817 nan 8.180 nan 0.000 0.579 172 T N -1.160 113.737 114.554 0.572 0.000 2.778 172 T HA 0.603 4.962 4.350 0.016 0.000 0.293 172 T C -0.058 174.943 174.700 0.501 0.000 1.144 172 T CA -0.954 61.423 62.100 0.462 0.000 1.010 172 T CB 2.188 71.289 68.868 0.388 0.000 1.325 172 T HN 0.592 nan 8.240 nan 0.000 0.515 173 K N -0.473 120.168 120.400 0.401 0.000 1.791 173 K HA -0.219 4.110 4.320 0.016 0.000 0.140 173 K C 1.306 178.076 176.600 0.284 0.000 1.312 173 K CA 1.325 57.816 56.287 0.341 0.000 0.382 173 K CB -1.839 30.846 32.500 0.309 0.000 0.635 173 K HN 0.964 nan 8.250 nan 0.000 0.838 174 G N 0.239 109.197 108.800 0.263 0.000 3.126 174 G HA2 0.298 4.267 3.960 0.016 0.000 0.224 174 G HA3 0.298 4.267 3.960 0.016 0.000 0.224 174 G C -0.258 174.577 174.900 -0.108 0.000 1.142 174 G CA -0.253 44.876 45.100 0.048 0.000 0.759 174 G HN 0.138 nan 8.290 nan 0.000 0.550 175 F N 0.272 120.166 119.950 -0.094 0.000 2.384 175 F HA 0.545 5.082 4.527 0.016 0.000 0.338 175 F C 0.872 176.335 175.800 -0.561 0.000 1.103 175 F CA -0.505 57.219 58.000 -0.461 0.000 1.157 175 F CB 1.927 40.475 39.000 -0.753 0.000 1.167 175 F HN -0.122 nan 8.300 nan 0.000 0.529 176 K N 1.712 121.749 120.400 -0.604 0.000 3.429 176 K HA 0.214 4.544 4.320 0.016 0.000 0.166 176 K C -1.101 175.270 176.600 -0.382 0.000 1.079 176 K CA 0.007 56.017 56.287 -0.462 0.000 0.750 176 K CB 0.361 32.782 32.500 -0.131 0.000 0.883 176 K HN 0.599 nan 8.250 nan 0.000 0.549 177 S N 1.202 116.552 115.700 -0.584 0.000 2.505 177 S HA 0.111 4.591 4.470 0.016 0.000 0.276 177 S C 0.182 174.939 174.600 0.263 0.000 1.274 177 S CA -0.536 57.624 58.200 -0.067 0.000 1.053 177 S CB 1.101 64.317 63.200 0.027 0.000 0.919 177 S HN 0.526 nan 8.310 nan 0.000 0.490 178 S N 2.366 118.169 115.700 0.172 0.000 2.593 178 S HA 0.525 5.005 4.470 0.016 0.000 0.269 178 S C 1.336 176.068 174.600 0.220 0.000 1.334 178 S CA -0.183 58.132 58.200 0.191 0.000 1.015 178 S CB 0.317 63.585 63.200 0.113 0.000 0.912 178 S HN 1.555 nan 8.310 nan 0.000 0.541 179 G N -0.124 108.784 108.800 0.181 0.000 2.166 179 G HA2 -0.247 3.723 3.960 0.016 0.000 0.260 179 G HA3 -0.247 3.723 3.960 0.016 0.000 0.260 179 G C 0.416 175.414 174.900 0.163 0.000 0.986 179 G CA 0.311 45.497 45.100 0.144 0.000 0.683 179 G HN 0.980 nan 8.290 nan 0.000 0.527 180 V N -0.501 119.554 119.914 0.235 0.000 2.908 180 V HA 0.187 4.317 4.120 0.016 0.000 0.240 180 V C 1.369 177.466 176.094 0.005 0.000 1.117 180 V CA 1.014 63.428 62.300 0.188 0.000 1.133 180 V CB -0.037 32.039 31.823 0.422 0.000 0.857 180 V HN 0.475 nan 8.190 nan 0.000 0.478 181 E N 0.915 121.095 120.200 -0.033 0.000 2.480 181 E HA 0.302 4.662 4.350 0.016 0.000 0.258 181 E C 1.213 177.814 176.600 0.000 0.000 0.984 181 E CA 0.958 57.304 56.400 -0.090 0.000 0.930 181 E CB 0.253 29.923 29.700 -0.050 0.000 0.936 181 E HN 0.518 nan 8.360 nan 0.000 0.466 182 G N 3.242 112.058 108.800 0.026 0.000 2.213 182 G HA2 -0.233 3.737 3.960 0.016 0.000 0.236 182 G HA3 -0.233 3.737 3.960 0.016 0.000 0.236 182 G C 0.187 175.216 174.900 0.215 0.000 0.991 182 G CA -0.334 44.822 45.100 0.092 0.000 0.629 182 G HN 0.396 nan 8.290 nan 0.000 0.517 183 R N 0.683 121.254 120.500 0.117 0.000 2.674 183 R HA 0.537 4.887 4.340 0.016 0.000 0.266 183 R C -1.022 175.157 176.300 -0.203 0.000 1.016 183 R CA -0.866 55.262 56.100 0.047 0.000 1.062 183 R CB 0.599 30.867 30.300 -0.054 0.000 1.142 183 R HN 0.190 nan 8.270 nan 0.000 0.517 184 D N 1.557 121.640 120.400 -0.528 0.000 2.352 184 D HA 0.021 4.671 4.640 0.016 0.000 0.245 184 D C 1.390 177.382 176.300 -0.514 0.000 1.224 184 D CA -0.300 53.173 54.000 -0.878 0.000 0.879 184 D CB 1.053 41.257 40.800 -0.993 0.000 1.057 184 D HN 0.348 nan 8.370 nan 0.000 0.491 185 V N 2.609 122.251 119.914 -0.453 0.000 2.688 185 V HA -0.191 3.939 4.120 0.016 0.000 0.256 185 V C 1.792 177.748 176.094 -0.230 0.000 1.084 185 V CA 1.242 63.323 62.300 -0.365 0.000 1.103 185 V CB -0.733 30.804 31.823 -0.476 0.000 0.688 185 V HN 0.406 nan 8.190 nan 0.000 0.480 186 V N 1.007 120.789 119.914 -0.220 0.000 2.379 186 V HA -0.075 4.055 4.120 0.016 0.000 0.245 186 V C 3.103 179.074 176.094 -0.204 0.000 1.044 186 V CA 1.945 64.164 62.300 -0.134 0.000 1.036 186 V CB -1.189 30.564 31.823 -0.117 0.000 0.664 186 V HN 0.650 nan 8.190 nan 0.000 0.453 187 A N -0.054 122.604 122.820 -0.269 0.000 1.902 187 A HA -0.130 4.199 4.320 0.016 0.000 0.217 187 A C 2.221 179.632 177.584 -0.289 0.000 1.181 187 A CA 1.668 53.559 52.037 -0.242 0.000 0.623 187 A CB -0.510 18.351 19.000 -0.230 0.000 0.818 187 A HN 0.491 nan 8.150 nan 0.000 0.443 188 L N -1.152 119.806 121.223 -0.441 0.000 2.056 188 L HA -0.146 4.203 4.340 0.016 0.000 0.207 188 L C 2.490 178.995 176.870 -0.608 0.000 1.078 188 L CA 1.217 55.666 54.840 -0.652 0.000 0.749 188 L CB -0.415 40.914 42.059 -1.218 0.000 0.901 188 L HN 0.460 nan 8.230 nan 0.000 0.433 189 I N -0.352 119.924 120.570 -0.490 0.000 2.315 189 I HA -0.214 3.965 4.170 0.016 0.000 0.248 189 I C 2.698 178.741 176.117 -0.123 0.000 1.117 189 I CA 1.348 62.555 61.300 -0.155 0.000 1.404 189 I CB -0.283 37.685 38.000 -0.053 0.000 1.071 189 I HN 0.085 nan 8.210 nan 0.000 0.419 190 R N 0.335 120.740 120.500 -0.157 0.000 2.080 190 R HA -0.206 4.143 4.340 0.016 0.000 0.236 190 R C 2.286 178.510 176.300 -0.127 0.000 1.137 190 R CA 1.785 57.800 56.100 -0.142 0.000 0.943 190 R CB -0.445 29.775 30.300 -0.134 0.000 0.846 190 R HN 0.240 nan 8.270 nan 0.000 0.431 191 K N 0.371 120.695 120.400 -0.127 0.000 2.152 191 K HA -0.138 4.191 4.320 0.016 0.000 0.206 191 K C 1.991 178.560 176.600 -0.052 0.000 1.048 191 K CA 1.490 57.724 56.287 -0.090 0.000 0.933 191 K CB -0.224 32.220 32.500 -0.093 0.000 0.721 191 K HN 0.208 nan 8.250 nan 0.000 0.447 192 A N 0.638 123.436 122.820 -0.037 0.000 1.902 192 A HA -0.145 4.184 4.320 0.016 0.000 0.217 192 A C 2.101 179.703 177.584 0.030 0.000 1.181 192 A CA 1.472 53.531 52.037 0.037 0.000 0.623 192 A CB -0.537 18.532 19.000 0.115 0.000 0.818 192 A HN 0.235 nan 8.150 nan 0.000 0.443 193 I N 0.105 120.652 120.570 -0.038 0.000 2.617 193 I HA -0.229 3.951 4.170 0.016 0.000 0.256 193 I C 2.734 178.774 176.117 -0.129 0.000 1.167 193 I CA 1.362 62.588 61.300 -0.123 0.000 1.469 193 I CB -0.216 37.533 38.000 -0.418 0.000 1.098 193 I HN 0.618 nan 8.210 nan 0.000 0.436 194 Q N 0.821 120.562 119.800 -0.100 0.000 2.302 194 Q HA -0.031 4.319 4.340 0.016 0.000 0.202 194 Q C 2.047 178.031 176.000 -0.027 0.000 0.936 194 Q CA 0.358 56.116 55.803 -0.075 0.000 0.886 194 Q CB -0.228 28.464 28.738 -0.077 0.000 0.986 194 Q HN 0.398 nan 8.270 nan 0.000 0.487 195 R N 0.683 121.177 120.500 -0.010 0.000 2.152 195 R HA -0.022 4.328 4.340 0.016 0.000 0.232 195 R C 2.247 178.568 176.300 0.035 0.000 1.117 195 R CA 1.367 57.476 56.100 0.014 0.000 0.981 195 R CB 0.003 30.318 30.300 0.025 0.000 0.870 195 R HN 0.324 nan 8.270 nan 0.000 0.451 196 R N -0.958 119.573 120.500 0.052 0.000 2.055 196 R HA -0.005 4.345 4.340 0.016 0.000 0.228 196 R C 1.822 178.162 176.300 0.068 0.000 1.143 196 R CA 1.174 57.326 56.100 0.086 0.000 0.945 196 R CB -0.236 30.167 30.300 0.172 0.000 0.841 196 R HN 0.395 nan 8.270 nan 0.000 0.429 197 G N 0.959 109.784 108.800 0.042 0.000 2.347 197 G HA2 -0.409 3.561 3.960 0.016 0.000 0.247 197 G HA3 -0.409 3.561 3.960 0.016 0.000 0.247 197 G C 0.829 175.780 174.900 0.085 0.000 1.037 197 G CA 0.672 45.793 45.100 0.034 0.000 0.622 197 G HN 0.421 nan 8.290 nan 0.000 0.521 198 D N 0.330 120.817 120.400 0.146 0.000 2.345 198 D HA -0.112 4.537 4.640 0.016 0.000 0.190 198 D C 1.009 177.505 176.300 0.326 0.000 1.024 198 D CA 2.371 56.504 54.000 0.221 0.000 0.893 198 D CB -0.161 40.810 40.800 0.286 0.000 0.907 198 D HN 1.134 nan 8.370 nan 0.000 0.452 199 F N -2.502 117.455 119.950 0.012 0.000 2.926 199 F HA 0.547 5.083 4.527 0.016 0.000 0.321 199 F C -1.621 174.188 175.800 0.014 0.000 1.168 199 F CA -1.362 56.646 58.000 0.014 0.000 0.890 199 F CB 0.841 39.853 39.000 0.019 0.000 1.357 199 F HN -0.295 nan 8.300 nan 0.000 0.468 200 D N 0.457 120.756 120.400 -0.168 0.000 2.570 200 D HA 0.719 5.369 4.640 0.016 0.000 0.244 200 D C -1.210 174.992 176.300 -0.164 0.000 1.178 200 D CA -0.243 53.564 54.000 -0.323 0.000 0.881 200 D CB 2.756 43.471 40.800 -0.143 0.000 1.453 200 D HN 0.860 nan 8.370 nan 0.000 0.447 201 I N -1.541 118.930 120.570 -0.165 0.000 2.892 201 I HA 0.591 4.770 4.170 0.016 0.000 0.306 201 I C 0.082 176.197 176.117 -0.004 0.000 1.078 201 I CA -0.823 60.463 61.300 -0.025 0.000 1.032 201 I CB 2.292 40.286 38.000 -0.009 0.000 1.229 201 I HN 0.205 nan 8.210 nan 0.000 0.435 202 D N 1.962 122.396 120.400 0.056 0.000 2.306 202 D HA 0.361 5.011 4.640 0.016 0.000 0.282 202 D C -0.056 176.285 176.300 0.068 0.000 1.195 202 D CA -0.131 53.916 54.000 0.078 0.000 0.955 202 D CB 0.457 41.354 40.800 0.160 0.000 0.921 202 D HN 0.527 nan 8.370 nan 0.000 0.269 203 I N 1.054 121.699 120.570 0.124 0.000 2.440 203 I HA 0.282 4.462 4.170 0.016 0.000 0.294 203 I C -1.090 175.087 176.117 0.101 0.000 0.995 203 I CA -0.607 60.747 61.300 0.090 0.000 1.306 203 I CB 1.273 39.338 38.000 0.109 0.000 1.407 203 I HN -0.014 nan 8.210 nan 0.000 0.501 204 V N 7.237 127.185 119.914 0.056 0.000 2.448 204 V HA 0.610 4.740 4.120 0.016 0.000 0.295 204 V C 0.102 176.229 176.094 0.056 0.000 1.025 204 V CA -0.592 61.751 62.300 0.071 0.000 0.859 204 V CB 1.324 33.183 31.823 0.060 0.000 0.988 204 V HN 0.814 nan 8.190 nan 0.000 0.431 205 A N 4.648 127.508 122.820 0.067 0.000 2.330 205 A HA 0.894 5.224 4.320 0.016 0.000 0.327 205 A C -0.769 176.857 177.584 0.068 0.000 1.155 205 A CA -0.560 51.498 52.037 0.036 0.000 0.803 205 A CB 1.554 20.557 19.000 0.004 0.000 1.208 205 A HN 0.680 nan 8.150 nan 0.000 0.477 206 V N 2.661 122.593 119.914 0.031 0.000 2.495 206 V HA 0.647 4.776 4.120 0.016 0.000 0.298 206 V C -0.107 175.984 176.094 -0.005 0.000 1.031 206 V CA -0.492 61.815 62.300 0.012 0.000 0.871 206 V CB 1.311 33.093 31.823 -0.069 0.000 0.988 206 V HN 1.096 nan 8.190 nan 0.000 0.432 207 V N 1.334 121.245 119.914 -0.006 0.000 2.876 207 V HA 0.615 4.744 4.120 0.016 0.000 0.312 207 V C -0.098 175.980 176.094 -0.027 0.000 1.085 207 V CA -0.831 61.462 62.300 -0.012 0.000 0.945 207 V CB 1.820 33.633 31.823 -0.017 0.000 1.017 207 V HN 0.860 nan 8.190 nan 0.000 0.428 208 N N 2.082 120.758 118.700 -0.039 0.000 2.326 208 N HA 0.004 4.753 4.740 0.016 0.000 0.239 208 N C 0.472 175.928 175.510 -0.090 0.000 1.301 208 N CA 0.411 53.413 53.050 -0.081 0.000 0.909 208 N CB 1.288 39.726 38.487 -0.083 0.000 1.156 208 N HN 0.995 nan 8.380 nan 0.000 0.462 209 D N -0.279 120.044 120.400 -0.129 0.000 2.277 209 D HA -0.138 4.512 4.640 0.016 0.000 0.208 209 D C 1.671 177.914 176.300 -0.095 0.000 0.962 209 D CA 1.342 55.280 54.000 -0.104 0.000 0.865 209 D CB -0.811 39.913 40.800 -0.127 0.000 0.939 209 D HN 0.683 nan 8.370 nan 0.000 0.510 210 T N -0.831 113.654 114.554 -0.116 0.000 2.746 210 T HA -0.127 4.233 4.350 0.016 0.000 0.267 210 T C 2.203 176.852 174.700 -0.086 0.000 1.039 210 T CA 1.324 63.355 62.100 -0.116 0.000 1.142 210 T CB -0.907 67.869 68.868 -0.154 0.000 0.866 210 T HN 0.059 nan 8.240 nan 0.000 0.444 211 V N 1.972 121.840 119.914 -0.076 0.000 2.358 211 V HA 0.043 4.173 4.120 0.016 0.000 0.246 211 V C 3.114 179.179 176.094 -0.048 0.000 1.047 211 V CA 1.775 64.039 62.300 -0.060 0.000 1.035 211 V CB -1.487 30.304 31.823 -0.053 0.000 0.658 211 V HN 0.675 nan 8.190 nan 0.000 0.452 212 G N -0.529 108.243 108.800 -0.046 0.000 2.418 212 G HA2 -0.227 3.742 3.960 0.016 0.000 0.217 212 G HA3 -0.227 3.742 3.960 0.016 0.000 0.217 212 G C 1.698 176.579 174.900 -0.031 0.000 1.158 212 G CA 1.503 46.581 45.100 -0.037 0.000 0.771 212 G HN 0.454 nan 8.290 nan 0.000 0.545 213 T N 0.743 115.275 114.554 -0.036 0.000 2.867 213 T HA -0.048 4.312 4.350 0.016 0.000 0.268 213 T C 2.218 176.903 174.700 -0.025 0.000 1.057 213 T CA 1.128 63.211 62.100 -0.029 0.000 1.136 213 T CB -0.141 68.702 68.868 -0.041 0.000 0.874 213 T HN 0.243 nan 8.240 nan 0.000 0.466 214 M N 0.198 119.777 119.600 -0.034 0.000 2.175 214 M HA -0.028 4.461 4.480 0.016 0.000 0.264 214 M C 1.730 178.027 176.300 -0.005 0.000 1.063 214 M CA 1.429 56.713 55.300 -0.026 0.000 1.119 214 M CB -0.103 32.477 32.600 -0.035 0.000 1.377 214 M HN 0.144 nan 8.290 nan 0.000 0.415 215 M N -0.391 119.206 119.600 -0.006 0.000 2.447 215 M HA -0.037 4.453 4.480 0.016 0.000 0.264 215 M C 2.233 178.552 176.300 0.032 0.000 1.095 215 M CA 1.640 56.946 55.300 0.010 0.000 1.125 215 M CB -1.250 31.340 32.600 -0.016 0.000 1.389 215 M HN 0.451 nan 8.290 nan 0.000 0.459 216 T N -2.125 112.440 114.554 0.019 0.000 2.896 216 T HA -0.070 4.289 4.350 0.016 0.000 0.263 216 T C 2.034 176.787 174.700 0.088 0.000 1.050 216 T CA 1.025 63.146 62.100 0.035 0.000 1.140 216 T CB -0.745 68.129 68.868 0.010 0.000 0.877 216 T HN 0.355 nan 8.240 nan 0.000 0.457 217 C N 1.717 121.055 119.300 0.062 0.000 2.450 217 C HA 0.279 4.749 4.460 0.016 0.000 0.279 217 C C 3.177 178.210 174.990 0.072 0.000 1.335 217 C CA 0.080 59.136 59.018 0.064 0.000 1.749 217 C CB -1.629 26.130 27.740 0.031 0.000 1.963 217 C HN 0.756 nan 8.230 nan 0.000 0.501 218 G N -1.214 107.630 108.800 0.073 0.000 2.509 218 G HA2 -0.236 3.733 3.960 0.016 0.000 0.218 218 G HA3 -0.236 3.733 3.960 0.016 0.000 0.218 218 G C 1.314 176.291 174.900 0.130 0.000 1.124 218 G CA 0.559 45.708 45.100 0.081 0.000 0.776 218 G HN 0.569 nan 8.290 nan 0.000 0.547 219 Y N 1.782 122.096 120.300 0.023 0.000 2.163 219 Y HA -0.083 4.476 4.550 0.016 0.000 0.288 219 Y C 2.381 178.306 175.900 0.041 0.000 1.136 219 Y CA 1.721 59.840 58.100 0.031 0.000 1.147 219 Y CB 0.009 38.481 38.460 0.019 0.000 0.987 219 Y HN 0.179 nan 8.280 nan 0.000 0.509 220 D N -0.327 120.136 120.400 0.104 0.000 2.075 220 D HA -0.131 4.519 4.640 0.016 0.000 0.196 220 D C 0.242 176.524 176.300 -0.031 0.000 0.985 220 D CA 1.516 55.525 54.000 0.015 0.000 0.834 220 D CB -0.547 40.293 40.800 0.068 0.000 0.987 220 D HN 0.243 nan 8.370 nan 0.000 0.452 221 D N -0.116 120.274 120.400 -0.017 0.000 2.427 221 D HA -0.005 4.645 4.640 0.016 0.000 0.226 221 D C 1.109 177.370 176.300 -0.066 0.000 1.076 221 D CA -0.341 53.612 54.000 -0.078 0.000 0.849 221 D CB 0.305 41.062 40.800 -0.071 0.000 1.052 221 D HN 0.296 nan 8.370 nan 0.000 0.515 222 H N 2.524 121.575 119.070 -0.032 0.000 2.559 222 H HA 0.037 4.603 4.556 0.016 0.000 0.273 222 H C -0.161 175.157 175.328 -0.017 0.000 1.000 222 H CA 0.133 56.166 56.048 -0.025 0.000 1.195 222 H CB 0.287 30.028 29.762 -0.035 0.000 1.368 222 H HN 0.157 nan 8.280 nan 0.000 0.592 223 N N 0.817 119.405 118.700 -0.186 0.000 2.370 223 N HA 0.013 4.763 4.740 0.016 0.000 0.198 223 N C -0.136 175.345 175.510 -0.048 0.000 1.156 223 N CA -0.007 52.989 53.050 -0.089 0.000 0.839 223 N CB -0.264 38.133 38.487 -0.151 0.000 0.989 223 N HN 0.304 nan 8.380 nan 0.000 0.468 224 C N 0.968 120.248 119.300 -0.033 0.000 2.566 224 C HA 0.190 4.659 4.460 0.016 0.000 0.393 224 C C 1.156 176.138 174.990 -0.013 0.000 1.309 224 C CA -0.160 58.839 59.018 -0.031 0.000 1.801 224 C CB -0.694 27.035 27.740 -0.019 0.000 2.493 224 C HN 0.450 nan 8.230 nan 0.000 0.575 225 E N 3.984 124.171 120.200 -0.021 0.000 2.641 225 E HA 0.332 4.691 4.350 0.016 0.000 0.224 225 E C -0.444 176.170 176.600 0.022 0.000 0.951 225 E CA 0.139 56.542 56.400 0.006 0.000 1.102 225 E CB 0.608 30.320 29.700 0.019 0.000 1.091 225 E HN 0.706 nan 8.360 nan 0.000 0.507 226 I N -0.024 120.537 120.570 -0.014 0.000 2.865 226 I HA 0.516 4.695 4.170 0.016 0.000 0.302 226 I C -0.311 175.777 176.117 -0.048 0.000 1.140 226 I CA -1.229 60.065 61.300 -0.010 0.000 1.021 226 I CB 2.440 40.419 38.000 -0.035 0.000 1.233 226 I HN -0.103 nan 8.210 nan 0.000 0.427 227 G N 4.040 112.804 108.800 -0.060 0.000 2.707 227 G HA2 0.667 4.637 3.960 0.016 0.000 0.299 227 G HA3 0.667 4.637 3.960 0.016 0.000 0.299 227 G C -1.996 172.829 174.900 -0.126 0.000 1.442 227 G CA -0.314 44.736 45.100 -0.083 0.000 1.009 227 G HN 0.343 nan 8.290 nan 0.000 0.515 228 L N 2.552 123.702 121.223 -0.121 0.000 2.370 228 L HA 0.820 5.170 4.340 0.016 0.000 0.266 228 L C -1.301 175.504 176.870 -0.108 0.000 1.002 228 L CA -1.124 53.636 54.840 -0.132 0.000 0.818 228 L CB 2.002 44.035 42.059 -0.043 0.000 1.325 228 L HN 0.366 nan 8.230 nan 0.000 0.418 229 I N 5.108 125.624 120.570 -0.090 0.000 2.512 229 I HA 0.404 4.584 4.170 0.016 0.000 0.287 229 I C -1.121 175.021 176.117 0.041 0.000 1.069 229 I CA -0.451 60.822 61.300 -0.046 0.000 1.056 229 I CB 2.034 39.985 38.000 -0.081 0.000 1.229 229 I HN 0.330 nan 8.210 nan 0.000 0.429 230 V N 5.382 125.328 119.914 0.053 0.000 2.340 230 V HA 0.865 4.994 4.120 0.016 0.000 0.277 230 V C 0.386 176.450 176.094 -0.049 0.000 1.017 230 V CA -0.201 62.122 62.300 0.039 0.000 0.820 230 V CB 0.929 32.783 31.823 0.051 0.000 1.028 230 V HN 0.985 nan 8.190 nan 0.000 0.436 231 G N 2.462 111.242 108.800 -0.033 0.000 3.255 231 G HA2 0.278 4.248 3.960 0.016 0.000 0.161 231 G HA3 0.278 4.248 3.960 0.016 0.000 0.161 231 G C 0.730 175.605 174.900 -0.042 0.000 1.173 231 G CA 0.678 45.754 45.100 -0.041 0.000 1.106 231 G HN 0.311 nan 8.290 nan 0.000 0.650 232 T N 0.627 115.161 114.554 -0.033 0.000 2.665 232 T HA 0.159 4.519 4.350 0.016 0.000 0.268 232 T C 1.214 175.897 174.700 -0.028 0.000 1.035 232 T CA 1.776 63.846 62.100 -0.050 0.000 1.151 232 T CB -0.506 68.351 68.868 -0.018 0.000 0.862 232 T HN 0.791 nan 8.240 nan 0.000 0.438 233 G N -0.480 108.335 108.800 0.025 0.000 3.013 233 G HA2 0.582 4.552 3.960 0.016 0.000 0.278 233 G HA3 0.582 4.552 3.960 0.016 0.000 0.278 233 G C -1.355 173.617 174.900 0.121 0.000 1.353 233 G CA -0.480 44.689 45.100 0.115 0.000 1.043 233 G HN 0.215 nan 8.290 nan 0.000 0.523 234 S N -0.684 115.143 115.700 0.212 0.000 2.538 234 S HA 0.702 5.182 4.470 0.016 0.000 0.288 234 S C -1.056 173.686 174.600 0.237 0.000 1.108 234 S CA -0.731 57.635 58.200 0.276 0.000 0.971 234 S CB 1.665 65.150 63.200 0.474 0.000 1.041 234 S HN 0.850 nan 8.310 nan 0.000 0.483 235 N N 1.269 119.890 118.700 -0.131 0.000 3.043 235 N HA 0.702 5.452 4.740 0.016 0.000 0.243 235 N C -1.802 173.146 175.510 -0.935 0.000 1.347 235 N CA -0.084 52.573 53.050 -0.656 0.000 0.896 235 N CB 1.722 40.051 38.487 -0.264 0.000 1.501 235 N HN 0.854 nan 8.380 nan 0.000 0.504 236 A N 0.272 122.350 122.820 -1.237 0.000 2.539 236 A HA 0.782 5.111 4.320 0.016 0.000 0.296 236 A C -0.659 176.709 177.584 -0.360 0.000 1.073 236 A CA -0.473 51.080 52.037 -0.807 0.000 0.700 236 A CB 0.279 18.603 19.000 -1.126 0.000 1.296 236 A HN 1.245 nan 8.150 nan 0.000 0.405 237 C N -0.265 118.937 119.300 -0.164 0.000 2.779 237 C HA 1.031 5.501 4.460 0.016 0.000 0.314 237 C C -0.827 174.222 174.990 0.097 0.000 1.231 237 C CA -0.971 58.032 59.018 -0.025 0.000 1.652 237 C CB 0.379 28.072 27.740 -0.077 0.000 2.198 237 C HN 1.528 nan 8.230 nan 0.000 0.483 238 Y N 0.244 120.508 120.300 -0.059 0.000 2.615 238 Y HA 0.767 5.326 4.550 0.016 0.000 0.341 238 Y C -0.667 175.210 175.900 -0.039 0.000 1.089 238 Y CA -1.613 56.462 58.100 -0.042 0.000 1.049 238 Y CB 1.136 39.588 38.460 -0.014 0.000 1.296 238 Y HN 0.595 nan 8.280 nan 0.000 0.470 239 M N 3.112 122.692 119.600 -0.033 0.000 2.156 239 M HA 0.242 4.732 4.480 0.016 0.000 0.345 239 M C -0.604 175.621 176.300 -0.124 0.000 1.398 239 M CA 0.162 55.386 55.300 -0.127 0.000 1.148 239 M CB 0.198 32.779 32.600 -0.031 0.000 1.663 239 M HN 0.832 nan 8.290 nan 0.000 0.464 240 E N 2.607 122.610 120.200 -0.328 0.000 2.212 240 E HA 0.295 4.655 4.350 0.016 0.000 0.270 240 E C -0.743 175.823 176.600 -0.057 0.000 0.956 240 E CA -0.440 55.869 56.400 -0.152 0.000 0.825 240 E CB 1.101 30.599 29.700 -0.337 0.000 1.167 240 E HN 0.339 nan 8.360 nan 0.000 0.400 241 E N 4.046 124.274 120.200 0.048 0.000 2.324 241 E HA -0.003 4.357 4.350 0.016 0.000 0.271 241 E C 0.840 177.393 176.600 -0.079 0.000 1.028 241 E CA -0.054 56.329 56.400 -0.028 0.000 0.890 241 E CB 0.571 30.231 29.700 -0.068 0.000 1.004 241 E HN 0.670 nan 8.360 nan 0.000 0.431 242 M N 2.668 122.204 119.600 -0.107 0.000 2.195 242 M HA -0.218 4.272 4.480 0.016 0.000 0.260 242 M C 1.870 178.101 176.300 -0.116 0.000 1.066 242 M CA 1.593 56.823 55.300 -0.117 0.000 1.089 242 M CB -0.697 31.837 32.600 -0.110 0.000 1.377 242 M HN 0.475 nan 8.290 nan 0.000 0.411 243 R N -1.345 119.056 120.500 -0.166 0.000 2.241 243 R HA -0.144 4.206 4.340 0.016 0.000 0.224 243 R C 1.064 177.249 176.300 -0.191 0.000 1.101 243 R CA 1.595 57.573 56.100 -0.202 0.000 0.995 243 R CB -0.760 29.376 30.300 -0.274 0.000 0.870 243 R HN 0.489 nan 8.270 nan 0.000 0.463 244 H N -0.058 118.988 119.070 -0.040 0.000 2.575 244 H HA 0.303 4.868 4.556 0.016 0.000 0.267 244 H C 0.123 175.421 175.328 -0.050 0.000 0.966 244 H CA -0.352 55.676 56.048 -0.033 0.000 1.165 244 H CB 0.563 30.317 29.762 -0.014 0.000 1.433 244 H HN 0.064 nan 8.280 nan 0.000 0.544 245 I N 2.147 122.729 120.570 0.020 0.000 2.224 245 I HA -0.027 4.153 4.170 0.016 0.000 0.293 245 I C 0.208 176.291 176.117 -0.057 0.000 1.155 245 I CA -0.202 61.069 61.300 -0.048 0.000 1.297 245 I CB 0.766 38.695 38.000 -0.119 0.000 1.487 245 I HN 0.165 nan 8.210 nan 0.000 0.564 246 D N 3.966 124.346 120.400 -0.034 0.000 2.218 246 D HA -0.144 4.505 4.640 0.016 0.000 0.204 246 D C 1.926 178.187 176.300 -0.065 0.000 0.976 246 D CA 1.400 55.378 54.000 -0.036 0.000 0.853 246 D CB 0.125 40.914 40.800 -0.018 0.000 0.939 246 D HN 0.386 nan 8.370 nan 0.000 0.481 247 M N 0.142 119.678 119.600 -0.108 0.000 2.630 247 M HA 0.032 4.521 4.480 0.016 0.000 0.254 247 M C 0.018 176.261 176.300 -0.095 0.000 1.092 247 M CA 0.358 55.572 55.300 -0.143 0.000 1.087 247 M CB -0.145 32.286 32.600 -0.280 0.000 1.453 247 M HN -0.264 nan 8.290 nan 0.000 0.509 248 V N 0.270 120.126 119.914 -0.096 0.000 2.487 248 V HA 0.230 4.359 4.120 0.016 0.000 0.298 248 V C 0.265 176.330 176.094 -0.049 0.000 1.028 248 V CA -1.258 60.998 62.300 -0.072 0.000 0.860 248 V CB 1.977 33.682 31.823 -0.196 0.000 0.991 248 V HN 0.137 nan 8.190 nan 0.000 0.427 249 E N 3.078 123.273 120.200 -0.009 0.000 2.383 249 E HA 0.444 4.804 4.350 0.016 0.000 0.257 249 E C 0.475 177.066 176.600 -0.015 0.000 1.079 249 E CA 0.712 57.107 56.400 -0.009 0.000 0.934 249 E CB 0.451 30.154 29.700 0.005 0.000 0.978 249 E HN 1.011 nan 8.360 nan 0.000 0.462 250 G N 3.250 112.032 108.800 -0.030 0.000 2.321 250 G HA2 -0.001 3.968 3.960 0.016 0.000 0.339 250 G HA3 -0.001 3.968 3.960 0.016 0.000 0.339 250 G C -0.671 174.198 174.900 -0.053 0.000 1.518 250 G CA -0.256 44.823 45.100 -0.034 0.000 0.994 250 G HN 0.552 nan 8.290 nan 0.000 0.668 251 D N -1.490 118.879 120.400 -0.051 0.000 2.538 251 D HA 0.123 4.772 4.640 0.016 0.000 0.241 251 D C 0.127 176.388 176.300 -0.066 0.000 1.297 251 D CA -0.025 53.933 54.000 -0.070 0.000 0.804 251 D CB 0.334 41.093 40.800 -0.069 0.000 1.122 251 D HN 0.471 nan 8.370 nan 0.000 0.519 252 E N 1.195 121.367 120.200 -0.047 0.000 2.194 252 E HA 0.474 4.834 4.350 0.016 0.000 0.284 252 E C 0.868 177.441 176.600 -0.044 0.000 1.035 252 E CA 0.157 56.535 56.400 -0.036 0.000 0.836 252 E CB 1.253 30.946 29.700 -0.012 0.000 1.070 252 E HN 0.386 nan 8.360 nan 0.000 0.401 253 G N 3.850 112.623 108.800 -0.045 0.000 2.512 253 G HA2 -0.268 3.702 3.960 0.016 0.000 0.240 253 G HA3 -0.268 3.702 3.960 0.016 0.000 0.240 253 G C -0.326 174.538 174.900 -0.060 0.000 1.246 253 G CA -0.493 44.581 45.100 -0.043 0.000 0.919 253 G HN 0.544 nan 8.290 nan 0.000 0.577 254 R N -1.106 119.356 120.500 -0.064 0.000 2.905 254 R HA 0.825 5.174 4.340 0.016 0.000 0.260 254 R C -0.269 175.961 176.300 -0.117 0.000 1.086 254 R CA -0.826 55.224 56.100 -0.082 0.000 0.978 254 R CB 1.992 32.257 30.300 -0.058 0.000 1.215 254 R HN 0.811 nan 8.270 nan 0.000 0.480 255 M N 0.606 120.110 119.600 -0.159 0.000 2.413 255 M HA 0.244 4.733 4.480 0.016 0.000 0.287 255 M C -1.471 174.681 176.300 -0.245 0.000 1.186 255 M CA -0.628 54.548 55.300 -0.207 0.000 0.927 255 M CB 2.108 34.536 32.600 -0.286 0.000 1.715 255 M HN 0.793 nan 8.290 nan 0.000 0.478 256 C N 5.798 124.967 119.300 -0.218 0.000 2.629 256 C HA 0.450 4.920 4.460 0.016 0.000 0.410 256 C C -0.240 174.587 174.990 -0.271 0.000 1.339 256 C CA -0.355 58.523 59.018 -0.234 0.000 1.810 256 C CB -0.858 26.795 27.740 -0.144 0.000 2.549 256 C HN 0.633 nan 8.230 nan 0.000 0.589 257 I N 6.757 127.103 120.570 -0.372 0.000 2.339 257 I HA 0.219 4.399 4.170 0.016 0.000 0.290 257 I C 0.211 176.235 176.117 -0.155 0.000 0.994 257 I CA -0.011 61.115 61.300 -0.290 0.000 1.191 257 I CB 1.088 38.851 38.000 -0.395 0.000 1.343 257 I HN 0.714 nan 8.210 nan 0.000 0.458 258 N N 7.094 125.746 118.700 -0.080 0.000 2.448 258 N HA 0.160 4.910 4.740 0.016 0.000 0.250 258 N C 0.918 176.439 175.510 0.018 0.000 1.136 258 N CA 0.034 53.061 53.050 -0.037 0.000 0.953 258 N CB 0.606 39.075 38.487 -0.031 0.000 1.251 258 N HN 0.515 nan 8.380 nan 0.000 0.502 259 M N 1.104 120.739 119.600 0.058 0.000 2.202 259 M HA -0.102 4.387 4.480 0.016 0.000 0.262 259 M C -0.008 176.383 176.300 0.152 0.000 1.063 259 M CA 1.029 56.417 55.300 0.146 0.000 1.097 259 M CB -0.209 32.559 32.600 0.279 0.000 1.382 259 M HN 0.412 nan 8.290 nan 0.000 0.413 260 E N 0.092 120.350 120.200 0.096 0.000 2.230 260 E HA -0.223 4.136 4.350 0.016 0.000 0.206 260 E C 0.049 176.829 176.600 0.300 0.000 1.309 260 E CA 0.820 57.304 56.400 0.141 0.000 0.697 260 E CB -1.531 28.248 29.700 0.132 0.000 1.146 260 E HN 0.806 nan 8.360 nan 0.000 0.363 261 W N -0.494 120.932 121.300 0.210 0.000 2.937 261 W HA 0.302 4.972 4.660 0.016 0.000 0.245 261 W C 1.518 178.224 176.519 0.312 0.000 1.306 261 W CA 0.431 57.921 57.345 0.241 0.000 1.470 261 W CB -1.015 28.525 29.460 0.134 0.000 1.132 261 W HN 0.162 nan 8.180 nan 0.000 0.675 262 G N 1.419 110.693 108.800 0.790 0.000 2.475 262 G HA2 -0.173 3.797 3.960 0.016 0.000 0.220 262 G HA3 -0.173 3.797 3.960 0.016 0.000 0.220 262 G C 1.672 176.851 174.900 0.465 0.000 1.125 262 G CA 1.682 47.161 45.100 0.632 0.000 0.755 262 G HN 0.476 nan 8.290 nan 0.000 0.565 263 A N -0.222 122.827 122.820 0.382 0.000 2.218 263 A HA 0.405 4.735 4.320 0.016 0.000 0.209 263 A C 0.884 178.656 177.584 0.312 0.000 1.168 263 A CA -0.746 51.461 52.037 0.282 0.000 0.804 263 A CB -0.347 18.780 19.000 0.211 0.000 0.834 263 A HN 0.378 nan 8.150 nan 0.000 0.482 264 F N 0.903 120.943 119.950 0.151 0.000 2.579 264 F HA 0.199 4.736 4.527 0.016 0.000 0.397 264 F C 1.442 177.275 175.800 0.056 0.000 1.027 264 F CA 1.042 59.058 58.000 0.026 0.000 1.217 264 F CB 0.385 39.178 39.000 -0.344 0.000 0.986 264 F HN 0.413 nan 8.300 nan 0.000 0.551 265 G N 3.957 112.867 108.800 0.184 0.000 2.195 265 G HA2 -0.328 3.642 3.960 0.016 0.000 0.246 265 G HA3 -0.328 3.642 3.960 0.016 0.000 0.246 265 G C 0.537 175.457 174.900 0.035 0.000 0.984 265 G CA 0.266 45.346 45.100 -0.034 0.000 0.633 265 G HN 0.671 nan 8.290 nan 0.000 0.525 266 D N 1.284 121.738 120.400 0.091 0.000 2.263 266 D HA 0.045 4.694 4.640 0.016 0.000 0.208 266 D C 1.869 178.196 176.300 0.045 0.000 0.971 266 D CA 1.491 55.532 54.000 0.067 0.000 0.867 266 D CB -0.173 40.680 40.800 0.088 0.000 0.929 266 D HN 0.681 nan 8.370 nan 0.000 0.492 267 D N -1.401 119.029 120.400 0.050 0.000 2.325 267 D HA 0.195 4.844 4.640 0.016 0.000 0.225 267 D C 1.397 177.708 176.300 0.018 0.000 1.096 267 D CA 0.329 54.349 54.000 0.032 0.000 0.844 267 D CB -0.144 40.677 40.800 0.036 0.000 0.925 267 D HN 0.134 nan 8.370 nan 0.000 0.513 268 G N 0.498 109.303 108.800 0.007 0.000 2.157 268 G HA2 -0.354 3.616 3.960 0.016 0.000 0.248 268 G HA3 -0.354 3.616 3.960 0.016 0.000 0.248 268 G C 1.103 175.992 174.900 -0.019 0.000 0.979 268 G CA 0.616 45.708 45.100 -0.013 0.000 0.650 268 G HN 0.652 nan 8.290 nan 0.000 0.529 269 S N -0.783 114.916 115.700 -0.002 0.000 2.555 269 S HA 0.288 4.768 4.470 0.016 0.000 0.230 269 S C 1.585 176.150 174.600 -0.058 0.000 0.978 269 S CA 1.157 59.362 58.200 0.008 0.000 0.934 269 S CB -0.028 63.229 63.200 0.095 0.000 0.766 269 S HN 0.606 nan 8.310 nan 0.000 0.533 270 L N 0.723 121.873 121.223 -0.122 0.000 3.122 270 L HA 0.384 4.733 4.340 0.016 0.000 0.274 270 L C 0.715 177.512 176.870 -0.122 0.000 1.222 270 L CA -0.272 54.463 54.840 -0.174 0.000 1.028 270 L CB 0.005 41.875 42.059 -0.314 0.000 1.386 270 L HN 0.093 nan 8.230 nan 0.000 0.578 271 N N 1.057 119.703 118.700 -0.091 0.000 2.573 271 N HA -0.132 4.617 4.740 0.016 0.000 0.187 271 N C 1.094 176.543 175.510 -0.101 0.000 1.107 271 N CA 1.043 54.041 53.050 -0.085 0.000 0.918 271 N CB 0.035 38.483 38.487 -0.065 0.000 0.966 271 N HN 0.504 nan 8.380 nan 0.000 0.448 272 D N -1.102 119.235 120.400 -0.105 0.000 2.349 272 D HA 0.028 4.678 4.640 0.016 0.000 0.214 272 D C 1.354 177.562 176.300 -0.154 0.000 1.063 272 D CA 0.039 53.961 54.000 -0.131 0.000 0.847 272 D CB 0.184 40.921 40.800 -0.105 0.000 0.933 272 D HN 0.080 nan 8.370 nan 0.000 0.513 273 I N 0.151 120.642 120.570 -0.132 0.000 2.899 273 I HA 0.120 4.300 4.170 0.016 0.000 0.257 273 I C 1.062 177.112 176.117 -0.111 0.000 1.115 273 I CA -0.030 61.195 61.300 -0.124 0.000 1.451 273 I CB -0.704 37.228 38.000 -0.113 0.000 1.251 273 I HN -0.105 nan 8.210 nan 0.000 0.456 274 R N 1.843 122.280 120.500 -0.106 0.000 2.640 274 R HA 0.081 4.430 4.340 0.016 0.000 0.270 274 R C 0.617 176.867 176.300 -0.083 0.000 1.024 274 R CA 0.392 56.441 56.100 -0.086 0.000 1.085 274 R CB 0.264 30.512 30.300 -0.086 0.000 0.963 274 R HN 0.409 nan 8.270 nan 0.000 0.426 275 T N -2.516 112.011 114.554 -0.046 0.000 2.844 275 T HA 0.110 4.469 4.350 0.016 0.000 0.274 275 T C 1.184 175.815 174.700 -0.115 0.000 0.991 275 T CA -0.762 61.311 62.100 -0.045 0.000 0.983 275 T CB 1.278 70.200 68.868 0.091 0.000 1.310 275 T HN 0.720 nan 8.240 nan 0.000 0.596 276 E N -0.164 119.874 120.200 -0.270 0.000 2.274 276 E HA -0.046 4.314 4.350 0.016 0.000 0.194 276 E C 1.176 177.542 176.600 -0.390 0.000 0.996 276 E CA 0.794 56.965 56.400 -0.381 0.000 0.840 276 E CB -0.448 28.929 29.700 -0.539 0.000 0.772 276 E HN 0.634 nan 8.360 nan 0.000 0.491 277 F N 2.285 122.218 119.950 -0.028 0.000 2.335 277 F HA 0.035 4.572 4.527 0.016 0.000 0.296 277 F C 1.946 177.727 175.800 -0.032 0.000 1.091 277 F CA 0.736 58.723 58.000 -0.021 0.000 1.399 277 F CB -0.097 38.892 39.000 -0.020 0.000 1.067 277 F HN -0.058 nan 8.300 nan 0.000 0.520 278 D N -0.038 120.427 120.400 0.110 0.000 2.183 278 D HA -0.173 4.477 4.640 0.016 0.000 0.203 278 D C 2.076 178.366 176.300 -0.017 0.000 0.969 278 D CA 0.985 54.998 54.000 0.022 0.000 0.842 278 D CB -0.263 40.528 40.800 -0.014 0.000 0.957 278 D HN 0.320 nan 8.370 nan 0.000 0.484 279 Q N 1.105 120.885 119.800 -0.033 0.000 2.079 279 Q HA -0.145 4.205 4.340 0.016 0.000 0.200 279 Q C 1.910 177.896 176.000 -0.024 0.000 0.974 279 Q CA 1.323 57.099 55.803 -0.044 0.000 0.840 279 Q CB 0.057 28.752 28.738 -0.071 0.000 0.898 279 Q HN 0.230 nan 8.270 nan 0.000 0.430 280 E N -0.451 119.744 120.200 -0.007 0.000 2.158 280 E HA -0.100 4.260 4.350 0.016 0.000 0.191 280 E C 1.807 178.431 176.600 0.040 0.000 0.982 280 E CA 0.677 57.088 56.400 0.018 0.000 0.823 280 E CB -0.035 29.687 29.700 0.037 0.000 0.766 280 E HN 0.439 nan 8.360 nan 0.000 0.468 281 I N 1.395 121.994 120.570 0.048 0.000 2.208 281 I HA -0.274 3.906 4.170 0.016 0.000 0.245 281 I C 2.128 178.257 176.117 0.020 0.000 1.097 281 I CA 1.666 62.995 61.300 0.049 0.000 1.363 281 I CB -0.400 37.621 38.000 0.036 0.000 1.051 281 I HN 0.232 nan 8.210 nan 0.000 0.413 282 D N 0.494 120.885 120.400 -0.016 0.000 2.178 282 D HA -0.165 4.484 4.640 0.016 0.000 0.202 282 D C 2.215 178.519 176.300 0.007 0.000 0.974 282 D CA 1.098 55.084 54.000 -0.023 0.000 0.841 282 D CB 0.142 40.919 40.800 -0.038 0.000 0.953 282 D HN 0.079 nan 8.370 nan 0.000 0.478 283 M N -0.557 119.049 119.600 0.010 0.000 2.319 283 M HA 0.130 4.619 4.480 0.016 0.000 0.265 283 M C 2.027 178.344 176.300 0.029 0.000 1.068 283 M CA 1.001 56.310 55.300 0.016 0.000 1.118 283 M CB -0.666 31.941 32.600 0.010 0.000 1.395 283 M HN 0.137 nan 8.290 nan 0.000 0.435 284 G N 0.096 108.920 108.800 0.040 0.000 3.088 284 G HA2 0.099 4.069 3.960 0.016 0.000 0.217 284 G HA3 0.099 4.069 3.960 0.016 0.000 0.217 284 G C 0.615 175.555 174.900 0.067 0.000 1.159 284 G CA 0.102 45.232 45.100 0.050 0.000 0.760 284 G HN 0.509 nan 8.290 nan 0.000 0.550 285 S N -0.440 115.304 115.700 0.074 0.000 2.652 285 S HA 0.377 4.857 4.470 0.016 0.000 0.270 285 S C 1.121 175.776 174.600 0.090 0.000 1.243 285 S CA -0.654 57.611 58.200 0.108 0.000 0.999 285 S CB 1.649 64.917 63.200 0.113 0.000 0.973 285 S HN -0.028 nan 8.310 nan 0.000 0.544 286 L N 0.878 122.167 121.223 0.110 0.000 2.291 286 L HA 0.179 4.529 4.340 0.016 0.000 0.214 286 L C 0.459 177.388 176.870 0.099 0.000 1.120 286 L CA 1.307 56.199 54.840 0.088 0.000 0.799 286 L CB -0.843 41.265 42.059 0.082 0.000 0.925 286 L HN 0.924 nan 8.230 nan 0.000 0.446 287 N N -0.678 118.093 118.700 0.118 0.000 2.886 287 N HA 0.292 5.041 4.740 0.016 0.000 0.285 287 N C -2.962 172.598 175.510 0.083 0.000 1.706 287 N CA -2.098 51.022 53.050 0.116 0.000 0.904 287 N CB -0.138 38.444 38.487 0.158 0.000 1.224 287 N HN 0.071 nan 8.380 nan 0.000 0.488 288 P HA 0.186 nan 4.420 nan 0.000 0.267 288 P C 0.997 178.319 177.300 0.037 0.000 1.205 288 P CA 0.904 64.028 63.100 0.041 0.000 0.765 288 P CB 0.618 32.339 31.700 0.035 0.000 0.828 289 G N 1.637 110.451 108.800 0.023 0.000 2.175 289 G HA2 -0.167 3.803 3.960 0.016 0.000 0.244 289 G HA3 -0.167 3.803 3.960 0.016 0.000 0.244 289 G C 0.008 174.929 174.900 0.036 0.000 0.982 289 G CA -0.175 44.938 45.100 0.022 0.000 0.641 289 G HN 0.553 nan 8.290 nan 0.000 0.527 290 K N -0.035 120.394 120.400 0.048 0.000 2.350 290 K HA 0.661 4.991 4.320 0.016 0.000 0.241 290 K C 0.619 177.263 176.600 0.074 0.000 0.994 290 K CA -0.821 55.511 56.287 0.075 0.000 0.839 290 K CB 0.942 33.501 32.500 0.100 0.000 1.244 290 K HN 0.160 nan 8.250 nan 0.000 0.443 291 Q N 0.761 120.630 119.800 0.115 0.000 2.457 291 Q HA -0.202 4.148 4.340 0.016 0.000 0.283 291 Q C 0.873 176.911 176.000 0.063 0.000 1.234 291 Q CA 0.398 56.283 55.803 0.136 0.000 0.877 291 Q CB -2.228 26.602 28.738 0.153 0.000 1.250 291 Q HN 0.654 nan 8.270 nan 0.000 0.481 292 L N -1.523 119.739 121.223 0.064 0.000 2.131 292 L HA -0.147 4.202 4.340 0.016 0.000 0.210 292 L C 2.029 178.910 176.870 0.018 0.000 1.092 292 L CA 1.603 56.446 54.840 0.004 0.000 0.759 292 L CB -0.396 41.668 42.059 0.008 0.000 0.903 292 L HN 0.270 nan 8.230 nan 0.000 0.435 293 F N 0.932 120.850 119.950 -0.054 0.000 2.187 293 F HA -0.161 4.376 4.527 0.016 0.000 0.295 293 F C 2.531 178.321 175.800 -0.016 0.000 1.091 293 F CA 1.533 59.484 58.000 -0.083 0.000 1.308 293 F CB -0.077 38.898 39.000 -0.043 0.000 1.030 293 F HN 0.040 nan 8.300 nan 0.000 0.487 294 E N 0.471 120.756 120.200 0.141 0.000 2.097 294 E HA -0.280 4.079 4.350 0.016 0.000 0.196 294 E C 1.970 178.562 176.600 -0.013 0.000 1.000 294 E CA 1.700 58.177 56.400 0.128 0.000 0.804 294 E CB -0.144 29.712 29.700 0.261 0.000 0.740 294 E HN 0.388 nan 8.360 nan 0.000 0.454 295 K N -0.474 119.775 120.400 -0.251 0.000 2.442 295 K HA -0.040 4.290 4.320 0.016 0.000 0.198 295 K C 1.764 178.233 176.600 -0.219 0.000 1.042 295 K CA 0.868 56.804 56.287 -0.586 0.000 0.958 295 K CB 0.059 32.150 32.500 -0.681 0.000 0.766 295 K HN 0.304 nan 8.250 nan 0.000 0.474 296 M N -0.397 119.089 119.600 -0.189 0.000 2.502 296 M HA 0.084 4.573 4.480 0.016 0.000 0.243 296 M C 1.411 177.627 176.300 -0.140 0.000 1.130 296 M CA 0.878 56.076 55.300 -0.170 0.000 1.055 296 M CB 0.360 32.803 32.600 -0.261 0.000 1.457 296 M HN 0.120 nan 8.290 nan 0.000 0.488 297 I N -1.735 118.775 120.570 -0.099 0.000 3.739 297 I HA 0.038 4.218 4.170 0.016 0.000 0.272 297 I C 1.234 177.380 176.117 0.050 0.000 1.167 297 I CA -0.002 61.269 61.300 -0.049 0.000 1.386 297 I CB 0.422 38.348 38.000 -0.123 0.000 1.490 297 I HN 0.088 nan 8.210 nan 0.000 0.452 298 S N 0.549 116.332 115.700 0.139 0.000 2.681 298 S HA 0.337 4.817 4.470 0.016 0.000 0.270 298 S C 1.151 175.771 174.600 0.035 0.000 1.209 298 S CA 0.034 58.292 58.200 0.097 0.000 0.988 298 S CB 1.193 64.490 63.200 0.161 0.000 1.006 298 S HN 0.294 nan 8.310 nan 0.000 0.558 299 G N -0.199 108.566 108.800 -0.058 0.000 2.448 299 G HA2 -0.121 3.849 3.960 0.016 0.000 0.218 299 G HA3 -0.121 3.849 3.960 0.016 0.000 0.218 299 G C 1.208 176.024 174.900 -0.139 0.000 1.135 299 G CA 0.587 45.636 45.100 -0.085 0.000 0.784 299 G HN 0.732 nan 8.290 nan 0.000 0.543 300 M N -0.703 118.714 119.600 -0.305 0.000 2.374 300 M HA 0.022 4.512 4.480 0.016 0.000 0.264 300 M C 1.478 177.467 176.300 -0.518 0.000 1.067 300 M CA 1.302 56.291 55.300 -0.519 0.000 1.103 300 M CB 0.078 32.173 32.600 -0.843 0.000 1.402 300 M HN 0.356 nan 8.290 nan 0.000 0.444 301 Y N -2.140 118.171 120.300 0.019 0.000 2.535 301 Y HA 0.220 4.780 4.550 0.016 0.000 0.264 301 Y C 1.964 177.865 175.900 0.002 0.000 1.087 301 Y CA 0.116 58.224 58.100 0.015 0.000 1.285 301 Y CB -0.419 38.048 38.460 0.011 0.000 1.200 301 Y HN 0.067 nan 8.280 nan 0.000 0.514 302 M N 0.094 119.759 119.600 0.108 0.000 2.086 302 M HA -0.112 4.378 4.480 0.016 0.000 0.261 302 M C 2.398 178.719 176.300 0.034 0.000 1.067 302 M CA 2.031 57.362 55.300 0.052 0.000 1.116 302 M CB -0.543 32.071 32.600 0.023 0.000 1.348 302 M HN 0.450 nan 8.290 nan 0.000 0.407 303 G N -0.452 108.393 108.800 0.075 0.000 2.459 303 G HA2 -0.301 3.669 3.960 0.016 0.000 0.217 303 G HA3 -0.301 3.669 3.960 0.016 0.000 0.217 303 G C 1.228 176.167 174.900 0.066 0.000 1.183 303 G CA 1.449 46.634 45.100 0.142 0.000 0.776 303 G HN 0.454 nan 8.290 nan 0.000 0.552 304 E N -0.178 120.067 120.200 0.076 0.000 2.118 304 E HA -0.096 4.264 4.350 0.016 0.000 0.195 304 E C 2.335 178.944 176.600 0.015 0.000 0.992 304 E CA 0.527 56.965 56.400 0.065 0.000 0.804 304 E CB -0.391 29.371 29.700 0.103 0.000 0.741 304 E HN 0.257 nan 8.360 nan 0.000 0.458 305 L N -0.335 120.893 121.223 0.008 0.000 1.989 305 L HA -0.168 4.181 4.340 0.016 0.000 0.211 305 L C 2.363 179.127 176.870 -0.178 0.000 1.071 305 L CA 1.472 56.288 54.840 -0.039 0.000 0.749 305 L CB -0.852 41.193 42.059 -0.024 0.000 0.890 305 L HN 0.128 nan 8.230 nan 0.000 0.431 306 V N -0.497 119.258 119.914 -0.265 0.000 2.343 306 V HA -0.307 3.823 4.120 0.016 0.000 0.247 306 V C 2.714 178.493 176.094 -0.525 0.000 1.051 306 V CA 1.983 63.996 62.300 -0.478 0.000 1.036 306 V CB -0.740 30.645 31.823 -0.731 0.000 0.654 306 V HN 0.479 nan 8.190 nan 0.000 0.451 307 R N -0.278 119.965 120.500 -0.428 0.000 2.105 307 R HA -0.150 4.199 4.340 0.016 0.000 0.239 307 R C 2.215 178.469 176.300 -0.078 0.000 1.135 307 R CA 1.587 57.579 56.100 -0.180 0.000 0.967 307 R CB -0.239 30.071 30.300 0.017 0.000 0.861 307 R HN 0.471 nan 8.270 nan 0.000 0.442 308 L N 0.037 121.226 121.223 -0.057 0.000 2.156 308 L HA -0.108 4.242 4.340 0.016 0.000 0.208 308 L C 2.292 179.180 176.870 0.031 0.000 1.095 308 L CA 0.811 55.688 54.840 0.061 0.000 0.770 308 L CB -0.230 41.934 42.059 0.175 0.000 0.914 308 L HN 0.208 nan 8.230 nan 0.000 0.439 309 I N -0.196 120.200 120.570 -0.290 0.000 2.202 309 I HA -0.298 3.881 4.170 0.016 0.000 0.242 309 I C 2.378 178.445 176.117 -0.084 0.000 1.091 309 I CA 1.333 62.365 61.300 -0.447 0.000 1.368 309 I CB -0.258 37.396 38.000 -0.576 0.000 1.058 309 I HN 0.194 nan 8.210 nan 0.000 0.410 310 L N -0.056 121.128 121.223 -0.065 0.000 2.083 310 L HA -0.185 4.164 4.340 0.016 0.000 0.209 310 L C 2.504 179.441 176.870 0.112 0.000 1.083 310 L CA 0.962 55.849 54.840 0.078 0.000 0.752 310 L CB -0.606 41.510 42.059 0.095 0.000 0.899 310 L HN 0.114 nan 8.230 nan 0.000 0.433 311 V N -0.264 119.693 119.914 0.073 0.000 2.719 311 V HA -0.213 3.917 4.120 0.016 0.000 0.252 311 V C 2.472 178.643 176.094 0.128 0.000 1.065 311 V CA 1.452 63.800 62.300 0.079 0.000 1.086 311 V CB -0.334 31.530 31.823 0.068 0.000 0.700 311 V HN 0.408 nan 8.190 nan 0.000 0.467 312 K N -0.317 120.201 120.400 0.198 0.000 2.044 312 K HA -0.054 4.275 4.320 0.016 0.000 0.204 312 K C 2.235 178.962 176.600 0.211 0.000 1.049 312 K CA 1.166 57.606 56.287 0.256 0.000 0.945 312 K CB -0.100 32.680 32.500 0.466 0.000 0.724 312 K HN 0.295 nan 8.250 nan 0.000 0.440 313 M N 0.560 120.263 119.600 0.173 0.000 2.065 313 M HA -0.183 4.306 4.480 0.016 0.000 0.259 313 M C 2.299 178.637 176.300 0.063 0.000 1.069 313 M CA 1.891 57.203 55.300 0.021 0.000 1.110 313 M CB -0.291 32.264 32.600 -0.075 0.000 1.328 313 M HN 0.300 nan 8.290 nan 0.000 0.405 314 A N 0.433 123.349 122.820 0.160 0.000 1.892 314 A HA -0.243 4.087 4.320 0.016 0.000 0.218 314 A C 2.069 179.720 177.584 0.113 0.000 1.188 314 A CA 2.109 54.266 52.037 0.199 0.000 0.631 314 A CB -0.705 18.423 19.000 0.213 0.000 0.822 314 A HN 0.477 nan 8.150 nan 0.000 0.447 315 K N -0.501 119.957 120.400 0.097 0.000 2.147 315 K HA -0.135 4.195 4.320 0.016 0.000 0.205 315 K C 1.385 178.027 176.600 0.069 0.000 1.049 315 K CA 1.499 57.832 56.287 0.077 0.000 0.936 315 K CB -0.126 32.422 32.500 0.080 0.000 0.722 315 K HN 0.596 nan 8.250 nan 0.000 0.446 316 E N 0.778 121.022 120.200 0.073 0.000 2.445 316 E HA -0.032 4.328 4.350 0.016 0.000 0.189 316 E C -0.779 175.838 176.600 0.028 0.000 1.069 316 E CA -0.050 56.385 56.400 0.057 0.000 0.871 316 E CB 0.158 29.906 29.700 0.081 0.000 0.991 316 E HN 0.155 nan 8.360 nan 0.000 0.481 317 E N -0.648 119.572 120.200 0.034 0.000 2.476 317 E HA -0.239 4.120 4.350 0.016 0.000 0.251 317 E C 0.259 176.854 176.600 -0.008 0.000 1.130 317 E CA -0.035 56.380 56.400 0.025 0.000 0.736 317 E CB -1.068 28.645 29.700 0.022 0.000 1.298 317 E HN 0.320 nan 8.360 nan 0.000 0.400 318 L N -0.527 120.676 121.223 -0.034 0.000 2.616 318 L HA 0.318 4.668 4.340 0.016 0.000 0.229 318 L C 0.384 177.182 176.870 -0.121 0.000 1.110 318 L CA 0.413 55.192 54.840 -0.102 0.000 0.884 318 L CB 0.501 42.437 42.059 -0.204 0.000 1.115 318 L HN 0.101 nan 8.230 nan 0.000 0.481 319 L N -2.270 118.909 121.223 -0.072 0.000 2.582 319 L HA 0.287 4.636 4.340 0.016 0.000 0.257 319 L C -0.625 176.237 176.870 -0.014 0.000 0.974 319 L CA -0.993 53.727 54.840 -0.201 0.000 0.851 319 L CB 1.951 43.829 42.059 -0.302 0.000 1.424 319 L HN -0.111 nan 8.230 nan 0.000 0.412 320 F N 0.528 120.473 119.950 -0.009 0.000 3.100 320 F HA -0.235 4.302 4.527 0.016 0.000 0.284 320 F C 1.498 177.298 175.800 -0.002 0.000 0.875 320 F CA 0.883 58.883 58.000 0.000 0.000 1.039 320 F CB -2.034 36.971 39.000 0.008 0.000 1.111 320 F HN 0.860 nan 8.300 nan 0.000 0.575 321 G N -0.514 108.337 108.800 0.085 0.000 2.337 321 G HA2 0.095 4.065 3.960 0.016 0.000 0.290 321 G HA3 0.095 4.065 3.960 0.016 0.000 0.290 321 G C 1.417 176.364 174.900 0.080 0.000 1.003 321 G CA 1.102 46.238 45.100 0.059 0.000 0.825 321 G HN 2.222 nan 8.290 nan 0.000 0.509 322 G N -2.681 106.189 108.800 0.116 0.000 2.168 322 G HA2 0.242 4.212 3.960 0.016 0.000 0.257 322 G HA3 0.242 4.212 3.960 0.016 0.000 0.257 322 G C 0.436 175.389 174.900 0.087 0.000 0.997 322 G CA 1.690 46.850 45.100 0.100 0.000 0.708 322 G HN 2.150 nan 8.290 nan 0.000 0.520 323 K N 0.101 120.566 120.400 0.108 0.000 2.268 323 K HA 0.793 5.122 4.320 0.016 0.000 0.276 323 K C -0.169 176.437 176.600 0.010 0.000 1.080 323 K CA -0.348 55.976 56.287 0.061 0.000 0.910 323 K CB 0.850 33.390 32.500 0.067 0.000 1.163 323 K HN 0.562 nan 8.250 nan 0.000 0.465 324 L N 2.802 124.011 121.223 -0.022 0.000 2.280 324 L HA 0.334 4.683 4.340 0.016 0.000 0.287 324 L C 0.831 177.657 176.870 -0.074 0.000 1.023 324 L CA -0.534 54.259 54.840 -0.078 0.000 0.819 324 L CB 1.844 43.876 42.059 -0.044 0.000 1.212 324 L HN 0.802 nan 8.230 nan 0.000 0.420 325 S N 3.531 119.163 115.700 -0.113 0.000 2.592 325 S HA 0.373 4.852 4.470 0.016 0.000 0.271 325 S C -1.645 172.920 174.600 -0.059 0.000 1.326 325 S CA -1.001 57.151 58.200 -0.079 0.000 1.024 325 S CB 0.864 64.007 63.200 -0.094 0.000 0.921 325 S HN 0.469 nan 8.310 nan 0.000 0.527 326 P HA -0.076 nan 4.420 nan 0.000 0.216 326 P C 0.974 178.261 177.300 -0.022 0.000 1.153 326 P CA 1.172 64.257 63.100 -0.024 0.000 0.848 326 P CB -0.012 31.678 31.700 -0.017 0.000 0.787 327 E N 0.194 120.377 120.200 -0.028 0.000 2.048 327 E HA -0.200 4.160 4.350 0.016 0.000 0.202 327 E C 2.075 178.665 176.600 -0.017 0.000 1.021 327 E CA 1.033 57.419 56.400 -0.023 0.000 0.825 327 E CB -1.453 28.228 29.700 -0.031 0.000 0.756 327 E HN 0.092 nan 8.360 nan 0.000 0.454 328 L N 0.325 121.523 121.223 -0.042 0.000 2.043 328 L HA -0.171 4.178 4.340 0.016 0.000 0.212 328 L C 1.944 178.807 176.870 -0.012 0.000 1.075 328 L CA 1.683 56.499 54.840 -0.039 0.000 0.752 328 L CB -0.279 41.699 42.059 -0.135 0.000 0.891 328 L HN 0.175 nan 8.230 nan 0.000 0.432 329 L N -0.666 120.546 121.223 -0.018 0.000 2.465 329 L HA -0.062 4.287 4.340 0.016 0.000 0.224 329 L C 0.621 177.499 176.870 0.013 0.000 1.145 329 L CA -0.101 54.739 54.840 0.001 0.000 0.834 329 L CB -0.719 41.338 42.059 -0.003 0.000 0.944 329 L HN 0.313 nan 8.230 nan 0.000 0.451 330 N N 0.526 119.233 118.700 0.012 0.000 2.458 330 N HA -0.016 4.734 4.740 0.016 0.000 0.270 330 N C -0.129 175.398 175.510 0.029 0.000 1.102 330 N CA 0.203 53.262 53.050 0.016 0.000 0.967 330 N CB 0.783 39.274 38.487 0.008 0.000 1.078 330 N HN -0.173 nan 8.380 nan 0.000 0.471 331 T N 2.555 117.127 114.554 0.030 0.000 2.908 331 T HA 0.334 4.693 4.350 0.016 0.000 0.301 331 T C 1.133 175.857 174.700 0.040 0.000 1.019 331 T CA 1.277 63.401 62.100 0.040 0.000 1.152 331 T CB -0.432 68.459 68.868 0.038 0.000 0.966 331 T HN 0.741 nan 8.240 nan 0.000 0.540 332 G N 4.956 113.790 108.800 0.057 0.000 2.141 332 G HA2 -0.210 3.760 3.960 0.016 0.000 0.242 332 G HA3 -0.210 3.760 3.960 0.016 0.000 0.242 332 G C 1.131 176.065 174.900 0.057 0.000 0.982 332 G CA 0.277 45.410 45.100 0.055 0.000 0.662 332 G HN 0.637 nan 8.290 nan 0.000 0.527 333 R N -0.745 119.796 120.500 0.069 0.000 2.200 333 R HA 0.241 4.590 4.340 0.016 0.000 0.208 333 R C 0.793 177.131 176.300 0.064 0.000 1.033 333 R CA -0.019 56.109 56.100 0.047 0.000 1.000 333 R CB -0.284 30.035 30.300 0.032 0.000 0.906 333 R HN 0.492 nan 8.270 nan 0.000 0.462 334 F N 2.139 122.087 119.950 -0.004 0.000 2.371 334 F HA 0.171 4.708 4.527 0.016 0.000 0.363 334 F C 0.304 176.105 175.800 0.002 0.000 1.122 334 F CA -0.520 57.482 58.000 0.002 0.000 1.129 334 F CB 0.731 39.735 39.000 0.007 0.000 1.173 334 F HN -0.110 nan 8.300 nan 0.000 0.489 335 E N 2.458 122.739 120.200 0.134 0.000 2.292 335 E HA 0.185 4.545 4.350 0.016 0.000 0.258 335 E C 0.588 177.299 176.600 0.186 0.000 1.115 335 E CA -0.549 55.919 56.400 0.113 0.000 0.929 335 E CB 1.144 30.848 29.700 0.007 0.000 1.161 335 E HN 0.520 nan 8.360 nan 0.000 0.453 336 T N 0.258 114.877 114.554 0.108 0.000 3.014 336 T HA -0.077 4.282 4.350 0.016 0.000 0.263 336 T C 1.631 176.382 174.700 0.085 0.000 1.078 336 T CA 0.737 62.900 62.100 0.105 0.000 1.135 336 T CB 0.041 68.935 68.868 0.043 0.000 0.895 336 T HN 0.345 nan 8.240 nan 0.000 0.480 337 K N 1.120 121.542 120.400 0.038 0.000 2.097 337 K HA -0.168 4.161 4.320 0.016 0.000 0.206 337 K C 1.528 178.124 176.600 -0.006 0.000 1.049 337 K CA 1.527 57.818 56.287 0.007 0.000 0.933 337 K CB -0.050 32.440 32.500 -0.018 0.000 0.717 337 K HN 0.140 nan 8.250 nan 0.000 0.442 338 D N 0.816 121.199 120.400 -0.028 0.000 2.144 338 D HA -0.157 4.493 4.640 0.016 0.000 0.199 338 D C 1.862 178.196 176.300 0.056 0.000 0.984 338 D CA 1.082 55.021 54.000 -0.101 0.000 0.834 338 D CB -0.112 40.423 40.800 -0.441 0.000 0.955 338 D HN 0.297 nan 8.370 nan 0.000 0.465 339 I N 0.639 121.335 120.570 0.211 0.000 2.142 339 I HA -0.258 3.922 4.170 0.016 0.000 0.240 339 I C 2.333 178.520 176.117 0.117 0.000 1.078 339 I CA 0.853 62.296 61.300 0.238 0.000 1.343 339 I CB -0.339 37.812 38.000 0.251 0.000 1.046 339 I HN -0.080 nan 8.210 nan 0.000 0.405 340 S N 0.745 116.493 115.700 0.081 0.000 2.359 340 S HA -0.231 4.249 4.470 0.016 0.000 0.223 340 S C 1.611 176.129 174.600 -0.137 0.000 1.039 340 S CA 1.829 59.969 58.200 -0.100 0.000 1.042 340 S CB -0.435 62.738 63.200 -0.045 0.000 0.915 340 S HN 0.428 nan 8.310 nan 0.000 0.439 341 D N 1.247 121.610 120.400 -0.061 0.000 2.092 341 D HA -0.076 4.573 4.640 0.016 0.000 0.193 341 D C 1.890 178.179 176.300 -0.019 0.000 0.994 341 D CA 0.962 54.931 54.000 -0.051 0.000 0.828 341 D CB -0.526 40.248 40.800 -0.042 0.000 0.963 341 D HN 0.339 nan 8.370 nan 0.000 0.450 342 I N 1.120 121.705 120.570 0.025 0.000 2.127 342 I HA -0.259 3.921 4.170 0.016 0.000 0.241 342 I C 2.242 178.453 176.117 0.156 0.000 1.075 342 I CA 1.331 62.697 61.300 0.111 0.000 1.334 342 I CB -0.268 37.833 38.000 0.168 0.000 1.040 342 I HN 0.019 nan 8.210 nan 0.000 0.405 343 E N 0.226 120.459 120.200 0.054 0.000 2.265 343 E HA -0.145 4.215 4.350 0.016 0.000 0.196 343 E C 2.055 178.683 176.600 0.046 0.000 0.996 343 E CA 1.075 57.511 56.400 0.060 0.000 0.832 343 E CB -0.131 29.527 29.700 -0.070 0.000 0.756 343 E HN 0.649 nan 8.360 nan 0.000 0.491 344 G N 0.514 109.269 108.800 -0.076 0.000 2.784 344 G HA2 -0.068 3.901 3.960 0.016 0.000 0.208 344 G HA3 -0.068 3.901 3.960 0.016 0.000 0.208 344 G C 0.582 175.461 174.900 -0.036 0.000 1.120 344 G CA -0.247 44.782 45.100 -0.118 0.000 0.774 344 G HN 0.043 nan 8.290 nan 0.000 0.528 348 G N 2.146 110.885 108.800 -0.102 0.000 2.476 348 G HA2 -0.227 3.742 3.960 0.016 0.000 0.218 348 G HA3 -0.227 3.742 3.960 0.016 0.000 0.218 348 G C 1.566 176.402 174.900 -0.107 0.000 1.164 348 G CA 0.877 45.893 45.100 -0.141 0.000 0.768 348 G HN 0.583 nan 8.290 nan 0.000 0.560 349 I N 0.775 121.248 120.570 -0.161 0.000 2.761 349 I HA 0.030 4.210 4.170 0.016 0.000 0.261 349 I C 3.342 179.442 176.117 -0.028 0.000 1.198 349 I CA 0.859 62.107 61.300 -0.087 0.000 1.482 349 I CB -0.089 37.847 38.000 -0.107 0.000 1.100 349 I HN 0.244 nan 8.210 nan 0.000 0.445 350 R N 1.100 121.583 120.500 -0.027 0.000 2.153 350 R HA -0.057 4.293 4.340 0.016 0.000 0.218 350 R C 2.037 178.336 176.300 -0.001 0.000 1.072 350 R CA 1.354 57.447 56.100 -0.012 0.000 0.990 350 R CB -0.673 29.617 30.300 -0.017 0.000 0.889 350 R HN 0.191 nan 8.270 nan 0.000 0.452 351 K N 0.164 120.567 120.400 0.005 0.000 2.103 351 K HA 0.195 4.525 4.320 0.016 0.000 0.204 351 K C 2.314 178.928 176.600 0.024 0.000 1.052 351 K CA 1.291 57.584 56.287 0.011 0.000 0.945 351 K CB -0.335 32.176 32.500 0.019 0.000 0.722 351 K HN 0.346 nan 8.250 nan 0.000 0.443 352 A N 1.017 123.873 122.820 0.059 0.000 1.877 352 A HA -0.197 4.132 4.320 0.016 0.000 0.216 352 A C 2.175 179.802 177.584 0.071 0.000 1.186 352 A CA 1.867 53.959 52.037 0.092 0.000 0.620 352 A CB -0.653 18.433 19.000 0.143 0.000 0.822 352 A HN 0.403 nan 8.150 nan 0.000 0.443 353 R N 0.036 120.566 120.500 0.051 0.000 2.097 353 R HA -0.250 4.099 4.340 0.016 0.000 0.236 353 R C 2.249 178.568 176.300 0.032 0.000 1.135 353 R CA 2.219 58.347 56.100 0.046 0.000 0.934 353 R CB -0.474 29.841 30.300 0.024 0.000 0.846 353 R HN 0.708 nan 8.270 nan 0.000 0.431 354 E N -0.268 119.938 120.200 0.010 0.000 2.070 354 E HA -0.193 4.167 4.350 0.016 0.000 0.197 354 E C 1.852 178.436 176.600 -0.027 0.000 1.004 354 E CA 1.891 58.286 56.400 -0.008 0.000 0.805 354 E CB 0.014 29.705 29.700 -0.016 0.000 0.744 354 E HN 0.316 nan 8.360 nan 0.000 0.451 355 V N 1.280 121.167 119.914 -0.045 0.000 2.270 355 V HA -0.252 3.877 4.120 0.016 0.000 0.245 355 V C 2.561 178.607 176.094 -0.080 0.000 1.043 355 V CA 1.629 63.861 62.300 -0.112 0.000 1.014 355 V CB -0.492 31.203 31.823 -0.213 0.000 0.645 355 V HN 0.334 nan 8.190 nan 0.000 0.447 356 L N -1.060 120.169 121.223 0.009 0.000 2.081 356 L HA -0.279 4.071 4.340 0.016 0.000 0.212 356 L C 2.563 179.457 176.870 0.041 0.000 1.080 356 L CA 1.812 56.703 54.840 0.085 0.000 0.754 356 L CB -0.509 41.691 42.059 0.235 0.000 0.893 356 L HN 0.334 nan 8.230 nan 0.000 0.433 357 M N -1.181 118.438 119.600 0.031 0.000 2.117 357 M HA -0.204 4.285 4.480 0.016 0.000 0.262 357 M C 2.479 178.773 176.300 -0.011 0.000 1.065 357 M CA 1.489 56.798 55.300 0.016 0.000 1.114 357 M CB -0.425 32.184 32.600 0.014 0.000 1.361 357 M HN 0.170 nan 8.290 nan 0.000 0.408 358 R N 0.928 121.411 120.500 -0.029 0.000 2.152 358 R HA -0.081 4.268 4.340 0.016 0.000 0.232 358 R C 1.299 177.572 176.300 -0.045 0.000 1.117 358 R CA 0.928 57.003 56.100 -0.042 0.000 0.981 358 R CB -0.210 30.053 30.300 -0.061 0.000 0.870 358 R HN 0.398 nan 8.270 nan 0.000 0.451 359 L N 0.612 121.806 121.223 -0.049 0.000 2.715 359 L HA 0.136 4.486 4.340 0.016 0.000 0.238 359 L C 0.803 177.641 176.870 -0.053 0.000 1.212 359 L CA 0.467 55.278 54.840 -0.048 0.000 1.017 359 L CB -0.115 41.918 42.059 -0.043 0.000 1.269 359 L HN 0.445 nan 8.230 nan 0.000 0.452 360 G N 0.659 109.436 108.800 -0.039 0.000 2.203 360 G HA2 -0.296 3.673 3.960 0.016 0.000 0.263 360 G HA3 -0.296 3.673 3.960 0.016 0.000 0.263 360 G C 0.108 174.983 174.900 -0.041 0.000 1.012 360 G CA 0.287 45.366 45.100 -0.035 0.000 0.749 360 G HN 0.340 nan 8.290 nan 0.000 0.512 361 L N -0.814 120.386 121.223 -0.038 0.000 2.365 361 L HA 0.685 5.035 4.340 0.016 0.000 0.267 361 L C 0.060 176.968 176.870 0.062 0.000 1.033 361 L CA -0.841 53.984 54.840 -0.026 0.000 0.802 361 L CB 1.549 43.541 42.059 -0.111 0.000 1.267 361 L HN 0.093 nan 8.230 nan 0.000 0.457 362 D N 1.592 122.066 120.400 0.123 0.000 2.441 362 D HA 0.299 4.949 4.640 0.016 0.000 0.287 362 D C -2.456 173.947 176.300 0.172 0.000 1.198 362 D CA -1.350 52.719 54.000 0.116 0.000 0.894 362 D CB 0.715 41.561 40.800 0.077 0.000 1.070 362 D HN 0.087 nan 8.370 nan 0.000 0.499 363 P HA 0.244 nan 4.420 nan 0.000 0.288 363 P C 0.115 177.435 177.300 0.034 0.000 1.267 363 P CA -0.452 62.735 63.100 0.144 0.000 0.815 363 P CB 1.357 33.165 31.700 0.180 0.000 0.989 364 T N -1.934 112.600 114.554 -0.033 0.000 2.816 364 T HA 0.312 4.672 4.350 0.016 0.000 0.282 364 T C 1.625 176.296 174.700 -0.049 0.000 0.993 364 T CA 0.419 62.494 62.100 -0.041 0.000 0.994 364 T CB -0.019 68.811 68.868 -0.063 0.000 1.025 364 T HN 0.431 nan 8.240 nan 0.000 0.529 365 Q N -0.266 119.510 119.800 -0.039 0.000 2.291 365 Q HA 0.059 4.409 4.340 0.016 0.000 0.206 365 Q C 2.395 178.362 176.000 -0.054 0.000 0.976 365 Q CA 2.265 58.044 55.803 -0.039 0.000 0.875 365 Q CB -1.745 26.973 28.738 -0.033 0.000 0.927 365 Q HN 1.078 nan 8.270 nan 0.000 0.450 366 E N 1.552 121.709 120.200 -0.071 0.000 2.076 366 E HA -0.168 4.191 4.350 0.016 0.000 0.190 366 E C 1.872 178.396 176.600 -0.126 0.000 0.979 366 E CA 1.058 57.406 56.400 -0.086 0.000 0.807 366 E CB -0.534 29.113 29.700 -0.088 0.000 0.761 366 E HN 0.737 nan 8.360 nan 0.000 0.454 367 D N 0.141 120.424 120.400 -0.195 0.000 2.104 367 D HA -0.133 4.517 4.640 0.016 0.000 0.194 367 D C 2.110 178.313 176.300 -0.161 0.000 0.994 367 D CA 1.641 55.445 54.000 -0.327 0.000 0.830 367 D CB -0.916 39.549 40.800 -0.558 0.000 0.959 367 D HN 0.537 nan 8.370 nan 0.000 0.452 368 C N 0.323 119.579 119.300 -0.072 0.000 2.410 368 C HA -0.061 4.408 4.460 0.016 0.000 0.281 368 C C 2.876 177.882 174.990 0.026 0.000 1.318 368 C CA 0.152 59.176 59.018 0.009 0.000 1.776 368 C CB -0.845 26.900 27.740 0.008 0.000 1.942 368 C HN 0.183 nan 8.230 nan 0.000 0.508 369 V N 1.155 121.063 119.914 -0.010 0.000 2.407 369 V HA -0.100 4.029 4.120 0.016 0.000 0.245 369 V C 2.674 178.799 176.094 0.051 0.000 1.041 369 V CA 1.929 64.237 62.300 0.014 0.000 1.040 369 V CB -1.346 30.466 31.823 -0.018 0.000 0.671 369 V HN 0.558 nan 8.190 nan 0.000 0.455 370 A N 0.459 123.276 122.820 -0.005 0.000 1.829 370 A HA -0.269 4.060 4.320 0.016 0.000 0.216 370 A C 2.393 179.997 177.584 0.034 0.000 1.207 370 A CA 2.845 54.875 52.037 -0.012 0.000 0.622 370 A CB -1.481 17.469 19.000 -0.083 0.000 0.846 370 A HN 0.443 nan 8.150 nan 0.000 0.447 371 T N -0.914 113.670 114.554 0.049 0.000 2.668 371 T HA -0.337 4.023 4.350 0.016 0.000 0.265 371 T C 1.786 176.574 174.700 0.147 0.000 1.041 371 T CA 2.547 64.722 62.100 0.124 0.000 1.160 371 T CB -0.632 68.369 68.868 0.221 0.000 0.857 371 T HN 0.824 nan 8.240 nan 0.000 0.455 372 H N 0.424 119.536 119.070 0.069 0.000 2.462 372 H HA 0.087 4.652 4.556 0.016 0.000 0.292 372 H C 2.412 177.775 175.328 0.058 0.000 1.049 372 H CA 1.458 57.551 56.048 0.075 0.000 1.334 372 H CB 0.040 29.835 29.762 0.054 0.000 1.404 372 H HN 0.112 nan 8.280 nan 0.000 0.544 373 R N 0.623 121.162 120.500 0.066 0.000 2.066 373 R HA 0.050 4.399 4.340 0.016 0.000 0.224 373 R C 2.230 178.508 176.300 -0.036 0.000 1.122 373 R CA 1.513 57.619 56.100 0.010 0.000 0.974 373 R CB -0.715 29.619 30.300 0.058 0.000 0.871 373 R HN 0.441 nan 8.270 nan 0.000 0.435 374 I N 0.188 120.740 120.570 -0.030 0.000 2.113 374 I HA -0.494 3.686 4.170 0.016 0.000 0.242 374 I C 2.210 178.274 176.117 -0.089 0.000 1.057 374 I CA 1.804 63.062 61.300 -0.071 0.000 1.314 374 I CB -0.567 37.375 38.000 -0.097 0.000 1.022 374 I HN 0.285 nan 8.210 nan 0.000 0.408 375 C N 0.112 119.367 119.300 -0.075 0.000 2.413 375 C HA -0.201 4.268 4.460 0.016 0.000 0.276 375 C C 2.878 177.849 174.990 -0.031 0.000 1.248 375 C CA 1.024 60.017 59.018 -0.042 0.000 1.742 375 C CB -1.138 26.609 27.740 0.011 0.000 2.017 375 C HN 0.535 nan 8.230 nan 0.000 0.481 376 Q N -0.011 119.739 119.800 -0.083 0.000 2.016 376 Q HA -0.099 4.250 4.340 0.016 0.000 0.200 376 Q C 2.231 178.221 176.000 -0.017 0.000 0.978 376 Q CA 1.380 57.160 55.803 -0.039 0.000 0.833 376 Q CB -0.202 28.488 28.738 -0.079 0.000 0.895 376 Q HN 0.666 nan 8.270 nan 0.000 0.427 377 I N 0.163 120.713 120.570 -0.033 0.000 2.151 377 I HA -0.313 3.867 4.170 0.016 0.000 0.243 377 I C 2.219 178.311 176.117 -0.041 0.000 1.080 377 I CA 1.147 62.427 61.300 -0.033 0.000 1.339 377 I CB -0.249 37.731 38.000 -0.032 0.000 1.039 377 I HN 0.079 nan 8.210 nan 0.000 0.409 378 V N 0.349 120.233 119.914 -0.051 0.000 2.427 378 V HA -0.220 3.910 4.120 0.016 0.000 0.248 378 V C 2.491 178.568 176.094 -0.028 0.000 1.051 378 V CA 2.082 64.350 62.300 -0.054 0.000 1.048 378 V CB -0.495 31.280 31.823 -0.081 0.000 0.666 378 V HN 0.598 nan 8.190 nan 0.000 0.456 379 S N -1.270 114.423 115.700 -0.012 0.000 2.496 379 S HA -0.104 4.375 4.470 0.016 0.000 0.224 379 S C 1.776 176.375 174.600 -0.002 0.000 0.996 379 S CA 1.331 59.522 58.200 -0.015 0.000 0.927 379 S CB -0.106 63.060 63.200 -0.057 0.000 0.774 379 S HN 0.537 nan 8.310 nan 0.000 0.524 380 T N 1.638 116.181 114.554 -0.019 0.000 2.976 380 T HA 0.183 4.542 4.350 0.016 0.000 0.257 380 T C 1.825 176.479 174.700 -0.077 0.000 1.051 380 T CA 0.565 62.633 62.100 -0.054 0.000 1.141 380 T CB -0.198 68.648 68.868 -0.038 0.000 0.881 380 T HN 0.399 nan 8.240 nan 0.000 0.461 381 R N 1.065 121.530 120.500 -0.059 0.000 2.091 381 R HA -0.116 4.233 4.340 0.016 0.000 0.238 381 R C 2.689 178.941 176.300 -0.080 0.000 1.136 381 R CA 1.702 57.759 56.100 -0.073 0.000 0.959 381 R CB -0.517 29.741 30.300 -0.069 0.000 0.856 381 R HN 0.278 nan 8.270 nan 0.000 0.437 382 S N -0.110 115.572 115.700 -0.030 0.000 2.377 382 S HA -0.244 4.236 4.470 0.016 0.000 0.224 382 S C 2.002 176.627 174.600 0.042 0.000 1.042 382 S CA 1.815 60.046 58.200 0.052 0.000 1.086 382 S CB -0.410 62.913 63.200 0.205 0.000 0.995 382 S HN 0.560 nan 8.310 nan 0.000 0.428 383 A N 0.275 123.009 122.820 -0.144 0.000 1.940 383 A HA -0.060 4.270 4.320 0.016 0.000 0.219 383 A C 2.447 179.847 177.584 -0.308 0.000 1.176 383 A CA 2.263 53.894 52.037 -0.678 0.000 0.631 383 A CB -1.093 17.303 19.000 -1.006 0.000 0.814 383 A HN 0.582 nan 8.150 nan 0.000 0.446 384 S N -0.499 115.087 115.700 -0.191 0.000 2.387 384 S HA 0.011 4.491 4.470 0.016 0.000 0.226 384 S C 1.802 176.347 174.600 -0.091 0.000 1.026 384 S CA 1.036 59.163 58.200 -0.120 0.000 0.972 384 S CB -0.359 62.785 63.200 -0.094 0.000 0.814 384 S HN 0.520 nan 8.310 nan 0.000 0.477 385 L N 0.683 121.840 121.223 -0.111 0.000 2.017 385 L HA -0.181 4.169 4.340 0.016 0.000 0.208 385 L C 2.553 179.376 176.870 -0.078 0.000 1.073 385 L CA 1.017 55.793 54.840 -0.106 0.000 0.745 385 L CB -0.744 41.133 42.059 -0.304 0.000 0.894 385 L HN 0.416 nan 8.230 nan 0.000 0.432 386 C N -0.320 118.922 119.300 -0.096 0.000 2.413 386 C HA -0.172 4.297 4.460 0.016 0.000 0.276 386 C C 3.139 178.105 174.990 -0.041 0.000 1.248 386 C CA 0.650 59.631 59.018 -0.061 0.000 1.742 386 C CB -1.145 26.709 27.740 0.190 0.000 2.017 386 C HN 0.630 nan 8.230 nan 0.000 0.481 387 A N 0.698 123.509 122.820 -0.016 0.000 1.908 387 A HA -0.004 4.325 4.320 0.016 0.000 0.218 387 A C 2.387 179.973 177.584 0.002 0.000 1.181 387 A CA 2.277 54.330 52.037 0.028 0.000 0.627 387 A CB -0.977 18.023 19.000 -0.001 0.000 0.818 387 A HN 0.596 nan 8.150 nan 0.000 0.445 388 A N -0.327 122.472 122.820 -0.036 0.000 1.883 388 A HA -0.135 4.194 4.320 0.016 0.000 0.217 388 A C 2.444 179.977 177.584 -0.084 0.000 1.186 388 A CA 2.707 54.724 52.037 -0.033 0.000 0.624 388 A CB -1.405 17.588 19.000 -0.011 0.000 0.822 388 A HN 0.762 nan 8.150 nan 0.000 0.444 389 T N -2.314 112.079 114.554 -0.268 0.000 2.942 389 T HA -0.024 4.336 4.350 0.016 0.000 0.265 389 T C 1.698 176.301 174.700 -0.162 0.000 1.062 389 T CA 1.264 63.023 62.100 -0.567 0.000 1.139 389 T CB -0.333 67.608 68.868 -1.546 0.000 0.883 389 T HN 0.161 nan 8.240 nan 0.000 0.468 390 L N 1.554 122.758 121.223 -0.032 0.000 2.217 390 L HA 0.387 4.737 4.340 0.016 0.000 0.211 390 L C 2.712 179.641 176.870 0.099 0.000 1.107 390 L CA 1.118 56.061 54.840 0.171 0.000 0.783 390 L CB -1.226 40.981 42.059 0.245 0.000 0.919 390 L HN 0.340 nan 8.230 nan 0.000 0.442 391 A N -0.152 122.705 122.820 0.061 0.000 1.841 391 A HA -0.200 4.129 4.320 0.016 0.000 0.216 391 A C 2.488 180.093 177.584 0.036 0.000 1.199 391 A CA 2.156 54.222 52.037 0.049 0.000 0.621 391 A CB -1.363 17.659 19.000 0.037 0.000 0.835 391 A HN 0.514 nan 8.150 nan 0.000 0.445 392 A N -0.805 122.045 122.820 0.049 0.000 1.948 392 A HA -0.078 4.252 4.320 0.016 0.000 0.220 392 A C 2.236 179.816 177.584 -0.006 0.000 1.177 392 A CA 2.047 54.112 52.037 0.046 0.000 0.636 392 A CB -1.036 18.041 19.000 0.129 0.000 0.815 392 A HN 0.477 nan 8.150 nan 0.000 0.449 393 V N -0.372 119.550 119.914 0.013 0.000 2.343 393 V HA -0.240 3.890 4.120 0.016 0.000 0.247 393 V C 2.515 178.527 176.094 -0.138 0.000 1.051 393 V CA 2.001 64.216 62.300 -0.140 0.000 1.036 393 V CB -0.628 31.156 31.823 -0.065 0.000 0.654 393 V HN 0.575 nan 8.190 nan 0.000 0.451 394 L N -0.600 120.594 121.223 -0.049 0.000 2.131 394 L HA -0.131 4.218 4.340 0.016 0.000 0.206 394 L C 2.588 179.442 176.870 -0.028 0.000 1.087 394 L CA 1.186 56.006 54.840 -0.034 0.000 0.767 394 L CB -0.545 41.508 42.059 -0.010 0.000 0.917 394 L HN 0.321 nan 8.230 nan 0.000 0.441 395 Q N 0.737 120.522 119.800 -0.024 0.000 2.096 395 Q HA -0.259 4.090 4.340 0.016 0.000 0.204 395 Q C 2.199 178.179 176.000 -0.033 0.000 0.982 395 Q CA 1.804 57.595 55.803 -0.021 0.000 0.850 395 Q CB -0.154 28.574 28.738 -0.016 0.000 0.901 395 Q HN 0.181 nan 8.270 nan 0.000 0.422 396 R N -0.045 120.416 120.500 -0.064 0.000 2.075 396 R HA 0.019 4.369 4.340 0.016 0.000 0.232 396 R C 2.103 178.390 176.300 -0.022 0.000 1.126 396 R CA 1.710 57.767 56.100 -0.072 0.000 0.963 396 R CB -0.632 29.577 30.300 -0.151 0.000 0.858 396 R HN 0.473 nan 8.270 nan 0.000 0.435 397 I N 0.550 121.106 120.570 -0.023 0.000 2.315 397 I HA -0.245 3.934 4.170 0.016 0.000 0.248 397 I C 2.376 178.508 176.117 0.025 0.000 1.117 397 I CA 1.305 62.623 61.300 0.029 0.000 1.404 397 I CB -0.326 37.691 38.000 0.028 0.000 1.071 397 I HN 0.268 nan 8.210 nan 0.000 0.419 398 K N 1.541 121.946 120.400 0.008 0.000 1.987 398 K HA -0.267 4.063 4.320 0.016 0.000 0.216 398 K C 1.943 178.553 176.600 0.017 0.000 1.051 398 K CA 2.111 58.404 56.287 0.010 0.000 0.942 398 K CB -0.137 32.365 32.500 0.003 0.000 0.722 398 K HN 0.269 nan 8.250 nan 0.000 0.444 399 E N 0.149 120.357 120.200 0.014 0.000 2.086 399 E HA -0.237 4.122 4.350 0.016 0.000 0.200 399 E C 1.984 178.612 176.600 0.047 0.000 1.012 399 E CA 1.521 57.935 56.400 0.023 0.000 0.812 399 E CB -0.213 29.494 29.700 0.011 0.000 0.743 399 E HN 0.367 nan 8.360 nan 0.000 0.453 400 N N 0.890 119.629 118.700 0.066 0.000 2.036 400 N HA -0.170 4.580 4.740 0.016 0.000 0.195 400 N C 1.590 177.134 175.510 0.057 0.000 1.037 400 N CA 1.325 54.431 53.050 0.093 0.000 0.855 400 N CB -0.167 38.389 38.487 0.115 0.000 1.033 400 N HN 0.165 nan 8.380 nan 0.000 0.423 401 K N -1.042 119.384 120.400 0.042 0.000 2.031 401 K HA 0.085 4.415 4.320 0.016 0.000 0.205 401 K C 0.920 177.533 176.600 0.023 0.000 1.049 401 K CA 1.102 57.406 56.287 0.029 0.000 0.939 401 K CB 0.066 32.581 32.500 0.025 0.000 0.717 401 K HN 0.337 nan 8.250 nan 0.000 0.438 402 G N 0.746 109.560 108.800 0.022 0.000 2.155 402 G HA2 -0.113 3.857 3.960 0.016 0.000 0.135 402 G HA3 -0.113 3.857 3.960 0.016 0.000 0.135 402 G C -0.429 174.479 174.900 0.014 0.000 1.023 402 G CA -0.454 44.657 45.100 0.018 0.000 0.688 402 G HN 0.110 nan 8.290 nan 0.000 0.499 407 R N 1.819 122.315 120.500 -0.006 0.000 2.471 407 R HA 0.757 5.107 4.340 0.016 0.000 0.292 407 R C 0.437 176.719 176.300 -0.029 0.000 1.192 407 R CA 0.297 56.387 56.100 -0.015 0.000 1.257 407 R CB 1.105 31.398 30.300 -0.013 0.000 1.130 407 R HN 1.412 nan 8.270 nan 0.000 0.558 408 S N 1.003 116.676 115.700 -0.046 0.000 2.501 408 S HA 0.515 4.995 4.470 0.016 0.000 0.301 408 S C -0.032 174.502 174.600 -0.109 0.000 1.096 408 S CA -0.347 57.812 58.200 -0.067 0.000 1.063 408 S CB 1.577 64.736 63.200 -0.068 0.000 1.042 408 S HN 0.589 nan 8.310 nan 0.000 0.494 409 T N 4.836 119.325 114.554 -0.107 0.000 2.837 409 T HA 0.492 4.852 4.350 0.016 0.000 0.285 409 T C -0.281 174.317 174.700 -0.170 0.000 0.984 409 T CA -0.308 61.711 62.100 -0.135 0.000 1.049 409 T CB 0.391 69.204 68.868 -0.091 0.000 0.947 409 T HN 0.549 nan 8.240 nan 0.000 0.472 410 I N 2.524 122.930 120.570 -0.273 0.000 2.339 410 I HA 0.405 4.584 4.170 0.016 0.000 0.290 410 I C 1.021 177.046 176.117 -0.153 0.000 0.994 410 I CA -0.798 60.341 61.300 -0.267 0.000 1.191 410 I CB 1.315 39.008 38.000 -0.512 0.000 1.343 410 I HN 0.668 nan 8.210 nan 0.000 0.458 411 G N 6.060 114.806 108.800 -0.091 0.000 2.355 411 G HA2 0.520 4.490 3.960 0.016 0.000 0.276 411 G HA3 0.520 4.490 3.960 0.016 0.000 0.276 411 G C -0.444 174.415 174.900 -0.069 0.000 1.198 411 G CA -0.123 44.947 45.100 -0.049 0.000 0.876 411 G HN 0.374 nan 8.290 nan 0.000 0.478 412 V N 2.360 122.233 119.914 -0.068 0.000 3.001 412 V HA 0.747 4.877 4.120 0.016 0.000 0.314 412 V C -0.598 175.440 176.094 -0.093 0.000 1.099 412 V CA -0.788 61.411 62.300 -0.169 0.000 0.989 412 V CB 2.327 33.858 31.823 -0.487 0.000 1.040 412 V HN 0.805 nan 8.190 nan 0.000 0.434 413 D N -0.464 119.881 120.400 -0.091 0.000 2.792 413 D HA 0.593 5.243 4.640 0.016 0.000 0.335 413 D C -0.497 175.823 176.300 0.033 0.000 1.353 413 D CA 0.911 54.922 54.000 0.019 0.000 0.839 413 D CB 2.038 42.844 40.800 0.011 0.000 1.396 413 D HN 1.268 nan 8.370 nan 0.000 0.479 414 G N -0.208 108.623 108.800 0.052 0.000 2.784 414 G HA2 -0.025 3.944 3.960 0.016 0.000 0.686 414 G HA3 -0.025 3.944 3.960 0.016 0.000 0.686 414 G C 0.654 175.584 174.900 0.049 0.000 1.156 414 G CA 0.343 45.464 45.100 0.034 0.000 0.757 414 G HN 0.354 nan 8.290 nan 0.000 0.642 415 S N 0.030 115.737 115.700 0.012 0.000 2.365 415 S HA -0.189 4.290 4.470 0.016 0.000 0.225 415 S C 2.763 177.348 174.600 -0.025 0.000 1.039 415 S CA 1.996 60.198 58.200 0.002 0.000 1.033 415 S CB -0.256 62.936 63.200 -0.013 0.000 0.887 415 S HN 1.069 nan 8.310 nan 0.000 0.447 416 V N 0.294 120.143 119.914 -0.108 0.000 2.332 416 V HA -0.216 3.913 4.120 0.016 0.000 0.248 416 V C 1.894 177.839 176.094 -0.248 0.000 1.055 416 V CA 2.086 64.230 62.300 -0.261 0.000 1.038 416 V CB -0.751 30.745 31.823 -0.546 0.000 0.651 416 V HN 0.575 nan 8.190 nan 0.000 0.450 417 Y N 0.674 120.823 120.300 -0.251 0.000 2.176 417 Y HA -0.093 4.466 4.550 0.016 0.000 0.291 417 Y C 2.633 178.574 175.900 0.069 0.000 1.122 417 Y CA 1.614 59.711 58.100 -0.004 0.000 1.128 417 Y CB -0.144 38.396 38.460 0.133 0.000 1.005 417 Y HN -0.013 nan 8.280 nan 0.000 0.509 418 K N 0.496 121.025 120.400 0.215 0.000 2.020 418 K HA -0.219 4.111 4.320 0.016 0.000 0.212 418 K C 1.955 178.563 176.600 0.014 0.000 1.050 418 K CA 2.205 58.561 56.287 0.115 0.000 0.929 418 K CB -0.184 32.394 32.500 0.129 0.000 0.714 418 K HN 0.393 nan 8.250 nan 0.000 0.443 419 K N -0.611 119.796 120.400 0.012 0.000 2.108 419 K HA -0.003 4.326 4.320 0.016 0.000 0.204 419 K C 1.091 177.679 176.600 -0.021 0.000 1.036 419 K CA -0.123 56.159 56.287 -0.008 0.000 0.965 419 K CB -0.234 32.265 32.500 -0.003 0.000 0.804 419 K HN 0.201 nan 8.250 nan 0.000 0.454 420 H N 3.192 122.205 119.070 -0.094 0.000 3.152 420 H HA -0.048 4.518 4.556 0.016 0.000 0.319 420 H C -1.748 173.496 175.328 -0.140 0.000 0.994 420 H CA -0.533 55.456 56.048 -0.098 0.000 1.370 420 H CB 1.041 30.765 29.762 -0.063 0.000 1.322 420 H HN 0.046 nan 8.280 nan 0.000 0.590 421 P HA -0.167 nan 4.420 nan 0.000 0.214 421 P C 0.592 177.658 177.300 -0.390 0.000 1.163 421 P CA 1.636 64.404 63.100 -0.554 0.000 0.883 421 P CB 0.267 31.421 31.700 -0.911 0.000 0.788 422 H N -3.394 115.745 119.070 0.116 0.000 2.652 422 H HA 0.209 4.774 4.556 0.016 0.000 0.274 422 H C 1.670 177.071 175.328 0.122 0.000 1.021 422 H CA -0.544 55.570 56.048 0.109 0.000 1.187 422 H CB -0.554 29.257 29.762 0.081 0.000 1.505 422 H HN 0.107 nan 8.280 nan 0.000 0.530 423 F N 2.644 122.701 119.950 0.179 0.000 2.051 423 F HA -0.148 4.389 4.527 0.016 0.000 0.296 423 F C 2.530 178.244 175.800 -0.143 0.000 1.122 423 F CA 1.612 59.583 58.000 -0.048 0.000 1.201 423 F CB -0.162 38.759 39.000 -0.132 0.000 0.978 423 F HN 0.145 nan 8.300 nan 0.000 0.472 424 A N 0.381 123.142 122.820 -0.098 0.000 1.884 424 A HA -0.302 4.028 4.320 0.016 0.000 0.219 424 A C 2.177 179.241 177.584 -0.868 0.000 1.197 424 A CA 2.485 54.190 52.037 -0.552 0.000 0.637 424 A CB -0.874 17.551 19.000 -0.958 0.000 0.827 424 A HN 0.513 nan 8.150 nan 0.000 0.450 425 K N -0.951 119.125 120.400 -0.541 0.000 2.057 425 K HA -0.077 4.253 4.320 0.016 0.000 0.206 425 K C 2.273 178.704 176.600 -0.282 0.000 1.050 425 K CA 1.387 57.433 56.287 -0.401 0.000 0.935 425 K CB -0.199 32.203 32.500 -0.163 0.000 0.715 425 K HN 0.369 nan 8.250 nan 0.000 0.439 426 R N 0.475 120.840 120.500 -0.225 0.000 2.133 426 R HA -0.179 4.170 4.340 0.016 0.000 0.247 426 R C 2.200 178.357 176.300 -0.239 0.000 1.151 426 R CA 1.317 57.294 56.100 -0.206 0.000 0.971 426 R CB -0.325 29.847 30.300 -0.214 0.000 0.866 426 R HN 0.109 nan 8.270 nan 0.000 0.447 427 L N -0.419 120.602 121.223 -0.335 0.000 2.068 427 L HA -0.076 4.274 4.340 0.016 0.000 0.204 427 L C 1.738 178.570 176.870 -0.064 0.000 1.076 427 L CA 1.783 56.494 54.840 -0.215 0.000 0.753 427 L CB -0.490 41.458 42.059 -0.184 0.000 0.910 427 L HN 0.226 nan 8.230 nan 0.000 0.439 428 H N -0.851 118.021 119.070 -0.331 0.000 2.387 428 H HA -0.200 4.365 4.556 0.016 0.000 0.299 428 H C 2.033 177.280 175.328 -0.135 0.000 1.099 428 H CA 1.391 57.175 56.048 -0.439 0.000 1.315 428 H CB 0.147 29.572 29.762 -0.562 0.000 1.380 428 H HN 0.336 nan 8.280 nan 0.000 0.513 429 K N 0.767 121.167 120.400 -0.001 0.000 2.007 429 K HA -0.099 4.230 4.320 0.016 0.000 0.206 429 K C 2.064 178.670 176.600 0.010 0.000 1.047 429 K CA 1.655 57.943 56.287 0.001 0.000 0.937 429 K CB 0.071 32.549 32.500 -0.036 0.000 0.718 429 K HN 0.070 nan 8.250 nan 0.000 0.438 430 T N 0.682 115.227 114.554 -0.016 0.000 2.759 430 T HA -0.127 4.232 4.350 0.016 0.000 0.269 430 T C 1.748 176.468 174.700 0.033 0.000 1.042 430 T CA 1.316 63.411 62.100 -0.008 0.000 1.140 430 T CB -0.076 68.766 68.868 -0.042 0.000 0.864 430 T HN 0.079 nan 8.240 nan 0.000 0.455 431 V N 0.761 120.723 119.914 0.079 0.000 2.379 431 V HA 0.008 4.137 4.120 0.016 0.000 0.243 431 V C 2.527 178.696 176.094 0.126 0.000 1.035 431 V CA 1.303 63.681 62.300 0.129 0.000 1.035 431 V CB -0.253 31.717 31.823 0.245 0.000 0.673 431 V HN 0.274 nan 8.190 nan 0.000 0.457 432 R N -0.367 120.219 120.500 0.143 0.000 2.127 432 R HA -0.139 4.211 4.340 0.016 0.000 0.238 432 R C 2.511 178.853 176.300 0.069 0.000 1.134 432 R CA 1.614 57.783 56.100 0.114 0.000 0.975 432 R CB -0.359 30.012 30.300 0.117 0.000 0.865 432 R HN 0.382 nan 8.270 nan 0.000 0.447 433 R N 0.704 121.236 120.500 0.054 0.000 2.090 433 R HA -0.048 4.301 4.340 0.016 0.000 0.228 433 R C 1.974 178.294 176.300 0.033 0.000 1.110 433 R CA 1.070 57.191 56.100 0.035 0.000 0.973 433 R CB -0.063 30.250 30.300 0.021 0.000 0.869 433 R HN 0.240 nan 8.270 nan 0.000 0.440 434 L N 0.504 121.750 121.223 0.039 0.000 2.109 434 L HA -0.002 4.348 4.340 0.016 0.000 0.207 434 L C 0.480 177.370 176.870 0.034 0.000 1.086 434 L CA 0.580 55.440 54.840 0.034 0.000 0.760 434 L CB 0.303 42.383 42.059 0.035 0.000 0.910 434 L HN -0.071 nan 8.230 nan 0.000 0.437 435 V N 0.864 120.805 119.914 0.044 0.000 2.257 435 V HA 0.156 4.285 4.120 0.016 0.000 0.269 435 V C -1.588 174.529 176.094 0.038 0.000 1.040 435 V CA -0.910 61.413 62.300 0.038 0.000 0.813 435 V CB 0.809 32.656 31.823 0.039 0.000 1.065 435 V HN 0.061 nan 8.190 nan 0.000 0.457 436 P HA -0.014 nan 4.420 nan 0.000 0.216 436 P C 1.227 178.543 177.300 0.026 0.000 1.153 436 P CA 0.844 63.961 63.100 0.029 0.000 0.844 436 P CB 0.275 31.988 31.700 0.022 0.000 0.787 437 G N 0.079 108.891 108.800 0.021 0.000 3.213 437 G HA2 0.346 4.316 3.960 0.016 0.000 0.263 437 G HA3 0.346 4.316 3.960 0.016 0.000 0.263 437 G C -0.185 174.726 174.900 0.018 0.000 0.829 437 G CA -0.119 44.992 45.100 0.018 0.000 1.983 437 G HN 0.452 nan 8.290 nan 0.000 0.616 438 C N 0.105 119.419 119.300 0.023 0.000 3.006 438 C HA 0.610 5.080 4.460 0.016 0.000 0.359 438 C C -1.267 173.739 174.990 0.027 0.000 1.103 438 C CA -1.303 57.728 59.018 0.021 0.000 1.286 438 C CB 2.176 29.931 27.740 0.026 0.000 1.694 438 C HN 0.340 nan 8.230 nan 0.000 0.511 439 D N 3.156 123.566 120.400 0.016 0.000 2.458 439 D HA 0.295 4.944 4.640 0.016 0.000 0.258 439 D C -0.462 175.841 176.300 0.006 0.000 1.134 439 D CA 0.126 54.138 54.000 0.019 0.000 0.915 439 D CB 1.953 42.760 40.800 0.011 0.000 1.028 439 D HN 0.644 nan 8.370 nan 0.000 0.508 440 V N 3.301 123.229 119.914 0.023 0.000 2.257 440 V HA 0.196 4.326 4.120 0.016 0.000 0.269 440 V C 0.228 176.328 176.094 0.010 0.000 1.040 440 V CA -0.855 61.427 62.300 -0.030 0.000 0.813 440 V CB 0.622 32.413 31.823 -0.053 0.000 1.065 440 V HN 0.381 nan 8.190 nan 0.000 0.457 441 R N 5.604 126.092 120.500 -0.020 0.000 2.421 441 R HA 0.213 4.562 4.340 0.016 0.000 0.305 441 R C -1.230 175.044 176.300 -0.042 0.000 1.039 441 R CA -0.026 56.089 56.100 0.026 0.000 1.003 441 R CB 0.251 30.552 30.300 0.002 0.000 0.959 441 R HN 0.587 nan 8.270 nan 0.000 0.427 442 F N 5.212 125.089 119.950 -0.122 0.000 2.411 442 F HA 0.256 4.793 4.527 0.016 0.000 0.350 442 F C -0.001 175.794 175.800 -0.007 0.000 1.114 442 F CA -0.970 56.967 58.000 -0.104 0.000 1.135 442 F CB 1.340 40.181 39.000 -0.265 0.000 1.120 442 F HN 0.367 nan 8.300 nan 0.000 0.495 443 L N 5.572 126.877 121.223 0.137 0.000 2.319 443 L HA 0.439 4.789 4.340 0.016 0.000 0.281 443 L C -0.241 176.714 176.870 0.141 0.000 1.005 443 L CA -0.768 54.145 54.840 0.121 0.000 0.828 443 L CB 1.105 43.195 42.059 0.052 0.000 1.227 443 L HN 0.587 nan 8.230 nan 0.000 0.415 444 R N 2.976 123.595 120.500 0.198 0.000 2.438 444 R HA 0.387 4.736 4.340 0.016 0.000 0.287 444 R C -0.443 175.938 176.300 0.135 0.000 1.077 444 R CA -0.109 56.121 56.100 0.216 0.000 1.034 444 R CB 0.912 31.384 30.300 0.287 0.000 0.993 444 R HN 0.763 nan 8.270 nan 0.000 0.459 445 S N 2.272 118.037 115.700 0.108 0.000 2.475 445 S HA 0.123 4.603 4.470 0.016 0.000 0.281 445 S C 0.281 174.931 174.600 0.083 0.000 1.198 445 S CA -0.634 57.613 58.200 0.078 0.000 1.063 445 S CB 1.117 64.346 63.200 0.049 0.000 0.972 445 S HN 0.729 nan 8.310 nan 0.000 0.486 446 E N 3.011 123.256 120.200 0.075 0.000 2.447 446 E HA 0.086 4.446 4.350 0.016 0.000 0.204 446 E C 0.326 176.960 176.600 0.057 0.000 0.977 446 E CA 0.253 56.695 56.400 0.070 0.000 0.950 446 E CB 0.176 29.918 29.700 0.071 0.000 0.975 446 E HN 0.696 nan 8.360 nan 0.000 0.496 447 D N 0.541 120.972 120.400 0.051 0.000 2.346 447 D HA 0.132 4.782 4.640 0.016 0.000 0.206 447 D C 1.000 177.317 176.300 0.029 0.000 1.001 447 D CA 0.812 54.836 54.000 0.039 0.000 0.871 447 D CB 1.019 41.837 40.800 0.031 0.000 0.943 447 D HN 0.130 nan 8.370 nan 0.000 0.518 448 G N 0.741 109.558 108.800 0.029 0.000 2.829 448 G HA2 -0.279 3.690 3.960 0.016 0.000 0.628 448 G HA3 -0.279 3.690 3.960 0.016 0.000 0.628 448 G C 0.888 175.792 174.900 0.007 0.000 1.412 448 G CA -0.055 45.057 45.100 0.020 0.000 0.864 448 G HN 0.077 nan 8.290 nan 0.000 0.544 449 S N 0.341 116.043 115.700 0.003 0.000 2.400 449 S HA -0.103 4.376 4.470 0.016 0.000 0.232 449 S C 2.735 177.328 174.600 -0.013 0.000 1.025 449 S CA 2.343 60.538 58.200 -0.007 0.000 0.993 449 S CB -0.620 62.576 63.200 -0.006 0.000 0.808 449 S HN 1.809 nan 8.310 nan 0.000 0.478 450 G N 1.659 110.457 108.800 -0.004 0.000 2.469 450 G HA2 -0.305 3.664 3.960 0.016 0.000 0.220 450 G HA3 -0.305 3.664 3.960 0.016 0.000 0.220 450 G C 1.299 176.167 174.900 -0.054 0.000 1.136 450 G CA 1.283 46.376 45.100 -0.012 0.000 0.759 450 G HN 0.501 nan 8.290 nan 0.000 0.562 451 K N 0.055 120.418 120.400 -0.062 0.000 2.002 451 K HA -0.017 4.312 4.320 0.016 0.000 0.209 451 K C 2.669 179.181 176.600 -0.148 0.000 1.048 451 K CA 1.434 57.651 56.287 -0.116 0.000 0.930 451 K CB -0.606 31.835 32.500 -0.099 0.000 0.714 451 K HN 0.219 nan 8.250 nan 0.000 0.438 452 G N -0.227 108.516 108.800 -0.096 0.000 2.443 452 G HA2 -0.165 3.804 3.960 0.016 0.000 0.219 452 G HA3 -0.165 3.804 3.960 0.016 0.000 0.219 452 G C 1.440 176.277 174.900 -0.105 0.000 1.131 452 G CA 0.736 45.786 45.100 -0.084 0.000 0.775 452 G HN 0.429 nan 8.290 nan 0.000 0.547 453 A N 0.897 123.657 122.820 -0.100 0.000 1.970 453 A HA 0.470 4.800 4.320 0.016 0.000 0.216 453 A C 2.694 180.149 177.584 -0.214 0.000 1.170 453 A CA 1.686 53.662 52.037 -0.102 0.000 0.645 453 A CB -0.435 18.545 19.000 -0.033 0.000 0.816 453 A HN 0.580 nan 8.150 nan 0.000 0.447 454 A N -0.734 121.910 122.820 -0.293 0.000 1.969 454 A HA -0.037 4.293 4.320 0.016 0.000 0.218 454 A C 2.109 179.226 177.584 -0.779 0.000 1.169 454 A CA 1.669 53.329 52.037 -0.628 0.000 0.635 454 A CB -0.422 18.316 19.000 -0.436 0.000 0.810 454 A HN 0.400 nan 8.150 nan 0.000 0.445 455 M N -0.413 118.941 119.600 -0.411 0.000 2.086 455 M HA -0.086 4.403 4.480 0.016 0.000 0.261 455 M C 2.194 178.352 176.300 -0.237 0.000 1.067 455 M CA 1.282 56.415 55.300 -0.279 0.000 1.116 455 M CB -1.396 31.125 32.600 -0.132 0.000 1.348 455 M HN 0.224 nan 8.290 nan 0.000 0.407 456 V N 0.192 119.989 119.914 -0.195 0.000 2.407 456 V HA -0.226 3.903 4.120 0.016 0.000 0.248 456 V C 2.364 178.367 176.094 -0.152 0.000 1.055 456 V CA 2.006 64.231 62.300 -0.126 0.000 1.049 456 V CB -1.185 30.588 31.823 -0.083 0.000 0.662 456 V HN 0.486 nan 8.190 nan 0.000 0.455 457 T N 0.417 114.807 114.554 -0.273 0.000 2.821 457 T HA -0.127 4.232 4.350 0.016 0.000 0.267 457 T C 2.097 176.683 174.700 -0.190 0.000 1.046 457 T CA 1.377 63.328 62.100 -0.249 0.000 1.139 457 T CB -0.411 68.228 68.868 -0.381 0.000 0.871 457 T HN 0.566 nan 8.240 nan 0.000 0.454 458 A N 1.128 123.704 122.820 -0.407 0.000 1.917 458 A HA -0.102 4.227 4.320 0.016 0.000 0.219 458 A C 2.577 180.204 177.584 0.070 0.000 1.182 458 A CA 1.618 53.640 52.037 -0.025 0.000 0.633 458 A CB -1.060 17.913 19.000 -0.047 0.000 0.819 458 A HN 0.378 nan 8.150 nan 0.000 0.448 459 V N -0.427 119.489 119.914 0.004 0.000 2.323 459 V HA -0.177 3.953 4.120 0.016 0.000 0.244 459 V C 3.053 179.176 176.094 0.049 0.000 1.041 459 V CA 1.753 64.072 62.300 0.031 0.000 1.025 459 V CB -1.244 30.583 31.823 0.007 0.000 0.656 459 V HN 0.626 nan 8.190 nan 0.000 0.451 460 A N -0.772 122.070 122.820 0.038 0.000 1.908 460 A HA -0.308 4.022 4.320 0.016 0.000 0.218 460 A C 2.172 179.797 177.584 0.069 0.000 1.181 460 A CA 2.328 54.385 52.037 0.034 0.000 0.627 460 A CB -0.851 18.163 19.000 0.023 0.000 0.818 460 A HN 0.648 nan 8.150 nan 0.000 0.445 461 Y N 0.273 120.585 120.300 0.020 0.000 2.145 461 Y HA -0.244 4.316 4.550 0.016 0.000 0.286 461 Y C 2.582 178.492 175.900 0.017 0.000 1.145 461 Y CA 2.355 60.478 58.100 0.038 0.000 1.148 461 Y CB -0.295 38.222 38.460 0.095 0.000 0.981 461 Y HN 0.353 nan 8.280 nan 0.000 0.507 462 R N 0.314 120.945 120.500 0.218 0.000 2.097 462 R HA -0.212 4.138 4.340 0.016 0.000 0.236 462 R C 2.179 178.488 176.300 0.015 0.000 1.135 462 R CA 2.413 58.586 56.100 0.122 0.000 0.934 462 R CB -0.772 29.595 30.300 0.111 0.000 0.846 462 R HN 0.488 nan 8.270 nan 0.000 0.431 463 L N 0.348 121.574 121.223 0.004 0.000 2.129 463 L HA -0.179 4.170 4.340 0.016 0.000 0.212 463 L C 2.686 179.528 176.870 -0.047 0.000 1.087 463 L CA 1.332 56.157 54.840 -0.025 0.000 0.757 463 L CB -0.523 41.516 42.059 -0.033 0.000 0.896 463 L HN 0.433 nan 8.230 nan 0.000 0.434 464 A N -0.631 122.134 122.820 -0.091 0.000 1.929 464 A HA -0.217 4.112 4.320 0.016 0.000 0.216 464 A C 2.012 179.530 177.584 -0.109 0.000 1.176 464 A CA 1.740 53.710 52.037 -0.113 0.000 0.628 464 A CB -0.394 18.486 19.000 -0.199 0.000 0.816 464 A HN 0.363 nan 8.150 nan 0.000 0.444 465 D N -0.544 119.754 120.400 -0.171 0.000 2.123 465 D HA -0.115 4.535 4.640 0.016 0.000 0.200 465 D C 2.191 178.445 176.300 -0.078 0.000 0.976 465 D CA 1.349 55.262 54.000 -0.146 0.000 0.831 465 D CB -0.178 40.547 40.800 -0.126 0.000 0.974 465 D HN 0.562 nan 8.370 nan 0.000 0.469 466 Q N -1.066 118.701 119.800 -0.055 0.000 2.079 466 Q HA -0.185 4.165 4.340 0.016 0.000 0.200 466 Q C 2.034 177.975 176.000 -0.099 0.000 0.974 466 Q CA 1.415 57.174 55.803 -0.074 0.000 0.840 466 Q CB -0.276 28.428 28.738 -0.058 0.000 0.898 466 Q HN 0.481 nan 8.270 nan 0.000 0.430 467 H N 0.843 119.823 119.070 -0.151 0.000 2.352 467 H HA -0.088 4.477 4.556 0.016 0.000 0.299 467 H C 2.077 177.322 175.328 -0.137 0.000 1.097 467 H CA 1.841 57.799 56.048 -0.151 0.000 1.311 467 H CB 0.120 29.808 29.762 -0.123 0.000 1.377 467 H HN 0.017 nan 8.280 nan 0.000 0.504 468 R N -0.291 120.116 120.500 -0.154 0.000 2.092 468 R HA -0.057 4.293 4.340 0.016 0.000 0.231 468 R C 2.392 178.585 176.300 -0.178 0.000 1.119 468 R CA 1.088 57.074 56.100 -0.191 0.000 0.970 468 R CB -0.317 29.921 30.300 -0.104 0.000 0.864 468 R HN 0.426 nan 8.270 nan 0.000 0.440 469 A N 1.005 123.736 122.820 -0.148 0.000 1.877 469 A HA -0.159 4.171 4.320 0.016 0.000 0.216 469 A C 2.100 179.591 177.584 -0.155 0.000 1.186 469 A CA 1.332 53.301 52.037 -0.112 0.000 0.620 469 A CB -0.461 18.482 19.000 -0.095 0.000 0.822 469 A HN 0.309 nan 8.150 nan 0.000 0.443 470 R N -0.591 119.709 120.500 -0.333 0.000 2.094 470 R HA -0.212 4.137 4.340 0.016 0.000 0.239 470 R C 2.525 178.734 176.300 -0.151 0.000 1.137 470 R CA 1.911 57.732 56.100 -0.464 0.000 0.943 470 R CB -0.534 29.379 30.300 -0.645 0.000 0.850 470 R HN 0.685 nan 8.270 nan 0.000 0.433 471 Q N 0.249 119.893 119.800 -0.261 0.000 2.112 471 Q HA -0.217 4.132 4.340 0.016 0.000 0.206 471 Q C 2.310 178.264 176.000 -0.077 0.000 0.987 471 Q CA 1.906 57.593 55.803 -0.194 0.000 0.858 471 Q CB -0.150 28.399 28.738 -0.315 0.000 0.905 471 Q HN 0.096 nan 8.270 nan 0.000 0.420 472 K N -0.035 120.327 120.400 -0.065 0.000 2.097 472 K HA -0.134 4.196 4.320 0.016 0.000 0.206 472 K C 2.160 178.809 176.600 0.082 0.000 1.049 472 K CA 1.720 57.996 56.287 -0.019 0.000 0.933 472 K CB -0.709 31.793 32.500 0.002 0.000 0.717 472 K HN 0.411 nan 8.250 nan 0.000 0.442 473 T N 1.409 116.087 114.554 0.207 0.000 2.701 473 T HA 0.040 4.399 4.350 0.016 0.000 0.263 473 T C 1.748 176.657 174.700 0.348 0.000 1.040 473 T CA 1.714 64.059 62.100 0.408 0.000 1.147 473 T CB -0.249 68.937 68.868 0.530 0.000 0.865 473 T HN 0.284 nan 8.240 nan 0.000 0.426 474 L N 0.788 122.146 121.223 0.226 0.000 2.265 474 L HA -0.051 4.299 4.340 0.016 0.000 0.215 474 L C 2.536 179.451 176.870 0.076 0.000 1.117 474 L CA 1.066 55.989 54.840 0.139 0.000 0.782 474 L CB -0.583 41.536 42.059 0.100 0.000 0.914 474 L HN 0.345 nan 8.230 nan 0.000 0.441 475 E N -0.619 119.582 120.200 0.002 0.000 2.209 475 E HA -0.214 4.146 4.350 0.016 0.000 0.196 475 E C 1.889 178.431 176.600 -0.097 0.000 0.993 475 E CA 0.765 57.110 56.400 -0.091 0.000 0.819 475 E CB 0.002 29.588 29.700 -0.190 0.000 0.745 475 E HN 0.568 nan 8.360 nan 0.000 0.477 476 H N -0.814 118.303 119.070 0.079 0.000 2.545 476 H HA -0.043 4.522 4.556 0.016 0.000 0.282 476 H C 1.129 176.515 175.328 0.096 0.000 1.020 476 H CA 0.790 56.892 56.048 0.090 0.000 1.243 476 H CB 0.332 30.157 29.762 0.105 0.000 1.377 476 H HN 0.117 nan 8.280 nan 0.000 0.581 477 L N 0.502 121.827 121.223 0.169 0.000 2.769 477 L HA 0.152 4.501 4.340 0.016 0.000 0.240 477 L C 0.176 177.080 176.870 0.057 0.000 1.163 477 L CA 0.349 55.258 54.840 0.114 0.000 0.962 477 L CB 0.555 42.668 42.059 0.091 0.000 1.258 477 L HN -0.025 nan 8.230 nan 0.000 0.513 478 Q N 0.878 120.706 119.800 0.046 0.000 2.331 478 Q HA 0.629 4.979 4.340 0.016 0.000 0.267 478 Q C -1.097 174.915 176.000 0.019 0.000 1.006 478 Q CA -0.304 55.508 55.803 0.014 0.000 0.818 478 Q CB 2.582 31.320 28.738 0.000 0.000 1.276 478 Q HN 0.169 nan 8.270 nan 0.000 0.450 479 L N 1.813 123.034 121.223 -0.004 0.000 2.341 479 L HA 0.464 4.814 4.340 0.016 0.000 0.278 479 L C 0.354 177.218 176.870 -0.011 0.000 1.005 479 L CA -0.748 54.085 54.840 -0.011 0.000 0.818 479 L CB 1.877 43.883 42.059 -0.087 0.000 1.259 479 L HN 0.673 nan 8.230 nan 0.000 0.418 480 S N -0.496 115.214 115.700 0.017 0.000 2.634 480 S HA 0.043 4.523 4.470 0.016 0.000 0.261 480 S C 1.029 175.654 174.600 0.042 0.000 1.271 480 S CA -0.145 58.079 58.200 0.040 0.000 0.985 480 S CB 0.815 64.050 63.200 0.059 0.000 0.968 480 S HN 0.761 nan 8.310 nan 0.000 0.568 481 H N 0.323 119.384 119.070 -0.015 0.000 2.387 481 H HA -0.084 4.481 4.556 0.016 0.000 0.299 481 H C 1.251 176.574 175.328 -0.008 0.000 1.099 481 H CA 2.445 58.484 56.048 -0.016 0.000 1.315 481 H CB -0.260 29.495 29.762 -0.011 0.000 1.380 481 H HN 0.677 nan 8.280 nan 0.000 0.513 482 D N 0.009 120.447 120.400 0.063 0.000 2.123 482 D HA -0.124 4.526 4.640 0.016 0.000 0.200 482 D C 2.161 178.455 176.300 -0.009 0.000 0.976 482 D CA 0.903 54.917 54.000 0.023 0.000 0.831 482 D CB -0.212 40.637 40.800 0.082 0.000 0.974 482 D HN 0.570 nan 8.370 nan 0.000 0.469 483 Q N 0.245 120.059 119.800 0.023 0.000 2.061 483 Q HA -0.109 4.240 4.340 0.016 0.000 0.204 483 Q C 2.484 178.398 176.000 -0.143 0.000 0.984 483 Q CA 0.871 56.698 55.803 0.040 0.000 0.846 483 Q CB -0.120 28.666 28.738 0.080 0.000 0.902 483 Q HN 0.306 nan 8.270 nan 0.000 0.421 484 L N 0.172 121.284 121.223 -0.186 0.000 2.201 484 L HA -0.179 4.171 4.340 0.016 0.000 0.212 484 L C 2.185 178.938 176.870 -0.196 0.000 1.105 484 L CA 0.651 55.358 54.840 -0.221 0.000 0.775 484 L CB -0.260 41.679 42.059 -0.201 0.000 0.913 484 L HN 0.265 nan 8.230 nan 0.000 0.440 485 L N -0.524 120.572 121.223 -0.212 0.000 2.156 485 L HA -0.172 4.178 4.340 0.016 0.000 0.208 485 L C 2.576 179.407 176.870 -0.066 0.000 1.095 485 L CA 0.691 55.435 54.840 -0.160 0.000 0.770 485 L CB -0.255 41.706 42.059 -0.164 0.000 0.914 485 L HN 0.210 nan 8.230 nan 0.000 0.439 486 E N 0.051 120.237 120.200 -0.023 0.000 2.107 486 E HA -0.138 4.222 4.350 0.016 0.000 0.191 486 E C 2.074 178.715 176.600 0.068 0.000 0.982 486 E CA 1.066 57.502 56.400 0.060 0.000 0.809 486 E CB -0.078 29.724 29.700 0.170 0.000 0.756 486 E HN 0.181 nan 8.360 nan 0.000 0.459 487 V N 1.094 120.992 119.914 -0.026 0.000 2.358 487 V HA -0.203 3.927 4.120 0.016 0.000 0.246 487 V C 2.495 178.593 176.094 0.006 0.000 1.047 487 V CA 1.986 64.279 62.300 -0.013 0.000 1.035 487 V CB -0.529 31.189 31.823 -0.174 0.000 0.658 487 V HN 0.303 nan 8.190 nan 0.000 0.452 488 K N 0.256 120.624 120.400 -0.053 0.000 2.063 488 K HA -0.250 4.080 4.320 0.016 0.000 0.208 488 K C 2.398 178.963 176.600 -0.058 0.000 1.048 488 K CA 1.845 58.090 56.287 -0.070 0.000 0.928 488 K CB -0.148 32.310 32.500 -0.071 0.000 0.713 488 K HN 0.338 nan 8.250 nan 0.000 0.442 489 R N 0.593 121.081 120.500 -0.021 0.000 2.062 489 R HA -0.081 4.269 4.340 0.016 0.000 0.231 489 R C 2.320 178.625 176.300 0.008 0.000 1.136 489 R CA 1.392 57.489 56.100 -0.006 0.000 0.948 489 R CB -0.083 30.226 30.300 0.015 0.000 0.845 489 R HN 0.159 nan 8.270 nan 0.000 0.430 490 R N -0.109 120.433 120.500 0.069 0.000 2.127 490 R HA -0.167 4.182 4.340 0.016 0.000 0.238 490 R C 2.258 178.601 176.300 0.071 0.000 1.134 490 R CA 1.725 57.913 56.100 0.147 0.000 0.975 490 R CB -0.299 30.169 30.300 0.280 0.000 0.865 490 R HN 0.249 nan 8.270 nan 0.000 0.447 491 M N 1.155 120.653 119.600 -0.170 0.000 2.132 491 M HA -0.129 4.360 4.480 0.016 0.000 0.263 491 M C 1.971 178.094 176.300 -0.296 0.000 1.065 491 M CA 1.728 56.648 55.300 -0.633 0.000 1.122 491 M CB -0.067 32.120 32.600 -0.689 0.000 1.365 491 M HN -0.168 nan 8.290 nan 0.000 0.411 492 K N -0.594 119.712 120.400 -0.155 0.000 2.063 492 K HA -0.155 4.175 4.320 0.016 0.000 0.208 492 K C 1.779 178.347 176.600 -0.054 0.000 1.048 492 K CA 1.909 58.143 56.287 -0.090 0.000 0.928 492 K CB -0.404 32.062 32.500 -0.057 0.000 0.713 492 K HN 0.447 nan 8.250 nan 0.000 0.442 493 V N -0.902 118.992 119.914 -0.033 0.000 2.548 493 V HA -0.099 4.030 4.120 0.016 0.000 0.249 493 V C 1.629 177.724 176.094 0.001 0.000 1.055 493 V CA 1.455 63.754 62.300 -0.002 0.000 1.065 493 V CB -0.262 31.573 31.823 0.020 0.000 0.681 493 V HN 0.195 nan 8.190 nan 0.000 0.462 494 E N 0.243 120.432 120.200 -0.018 0.000 2.152 494 E HA -0.043 4.317 4.350 0.016 0.000 0.192 494 E C 2.156 178.745 176.600 -0.018 0.000 0.983 494 E CA 1.558 57.954 56.400 -0.006 0.000 0.818 494 E CB -0.352 29.344 29.700 -0.006 0.000 0.758 494 E HN 0.651 nan 8.360 nan 0.000 0.467 495 M N 0.415 119.986 119.600 -0.048 0.000 2.086 495 M HA -0.172 4.318 4.480 0.016 0.000 0.261 495 M C 2.072 178.396 176.300 0.040 0.000 1.067 495 M CA 1.516 56.821 55.300 0.008 0.000 1.116 495 M CB -0.203 32.398 32.600 0.001 0.000 1.348 495 M HN 0.022 nan 8.290 nan 0.000 0.407 496 E N -0.330 119.884 120.200 0.024 0.000 2.047 496 E HA -0.189 4.170 4.350 0.016 0.000 0.191 496 E C 2.104 178.728 176.600 0.040 0.000 0.987 496 E CA 0.950 57.369 56.400 0.032 0.000 0.799 496 E CB -0.107 29.605 29.700 0.020 0.000 0.752 496 E HN 0.317 nan 8.360 nan 0.000 0.449 497 R N 0.069 120.590 120.500 0.036 0.000 2.083 497 R HA -0.143 4.206 4.340 0.016 0.000 0.237 497 R C 2.313 178.651 176.300 0.064 0.000 1.137 497 R CA 1.677 57.802 56.100 0.042 0.000 0.951 497 R CB -0.433 29.887 30.300 0.034 0.000 0.851 497 R HN 0.251 nan 8.270 nan 0.000 0.434 498 G N 0.264 109.108 108.800 0.073 0.000 2.421 498 G HA2 -0.154 3.815 3.960 0.016 0.000 0.217 498 G HA3 -0.154 3.815 3.960 0.016 0.000 0.217 498 G C 1.452 176.484 174.900 0.221 0.000 1.143 498 G CA 0.056 45.235 45.100 0.132 0.000 0.784 498 G HN 0.214 nan 8.290 nan 0.000 0.541 499 L N 0.747 122.039 121.223 0.115 0.000 2.156 499 L HA 0.072 4.422 4.340 0.016 0.000 0.208 499 L C 1.824 178.714 176.870 0.033 0.000 1.095 499 L CA 0.230 55.106 54.840 0.059 0.000 0.770 499 L CB -0.112 41.969 42.059 0.037 0.000 0.914 499 L HN 0.248 nan 8.230 nan 0.000 0.439 500 S N -0.352 115.382 115.700 0.057 0.000 2.528 500 S HA 0.020 4.500 4.470 0.016 0.000 0.277 500 S C 1.325 175.959 174.600 0.057 0.000 1.297 500 S CA -0.178 58.046 58.200 0.041 0.000 1.052 500 S CB 1.378 64.603 63.200 0.042 0.000 0.917 500 S HN 0.228 nan 8.310 nan 0.000 0.492 501 K N 2.675 123.087 120.400 0.020 0.000 2.148 501 K HA -0.041 4.289 4.320 0.016 0.000 0.204 501 K C 1.918 178.549 176.600 0.051 0.000 1.050 501 K CA 1.477 57.777 56.287 0.022 0.000 0.942 501 K CB -1.510 30.984 32.500 -0.010 0.000 0.724 501 K HN 0.704 nan 8.250 nan 0.000 0.446 502 E N 0.937 121.160 120.200 0.040 0.000 2.265 502 E HA -0.111 4.248 4.350 0.016 0.000 0.196 502 E C 1.638 178.267 176.600 0.047 0.000 0.996 502 E CA 1.727 58.149 56.400 0.037 0.000 0.832 502 E CB -0.632 29.083 29.700 0.025 0.000 0.756 502 E HN 0.986 nan 8.360 nan 0.000 0.491 503 T N -4.385 110.209 114.554 0.066 0.000 2.986 503 T HA 0.149 4.508 4.350 0.016 0.000 0.264 503 T C 1.459 176.204 174.700 0.076 0.000 0.964 503 T CA 0.400 62.535 62.100 0.059 0.000 0.895 503 T CB -0.495 68.400 68.868 0.045 0.000 1.163 503 T HN 0.488 nan 8.240 nan 0.000 0.517 504 H N 2.210 121.288 119.070 0.013 0.000 2.421 504 H HA 0.237 4.802 4.556 0.016 0.000 0.298 504 H C 2.207 177.546 175.328 0.018 0.000 1.087 504 H CA 1.680 57.737 56.048 0.015 0.000 1.330 504 H CB -0.366 29.402 29.762 0.010 0.000 1.388 504 H HN 0.432 nan 8.280 nan 0.000 0.526 505 A N -0.081 122.756 122.820 0.029 0.000 2.014 505 A HA -0.120 4.210 4.320 0.016 0.000 0.218 505 A C 2.574 180.119 177.584 -0.064 0.000 1.163 505 A CA 1.421 53.441 52.037 -0.027 0.000 0.652 505 A CB -0.780 18.251 19.000 0.052 0.000 0.808 505 A HN 0.644 nan 8.150 nan 0.000 0.449 506 S N 0.090 115.768 115.700 -0.038 0.000 2.436 506 S HA 0.356 4.836 4.470 0.016 0.000 0.228 506 S C 1.138 175.711 174.600 -0.045 0.000 1.014 506 S CA 0.520 58.703 58.200 -0.028 0.000 0.950 506 S CB -0.688 62.510 63.200 -0.004 0.000 0.784 506 S HN 0.948 nan 8.310 nan 0.000 0.504 507 A N 3.525 126.299 122.820 -0.077 0.000 2.520 507 A HA 0.439 4.769 4.320 0.016 0.000 0.245 507 A C -0.633 176.918 177.584 -0.055 0.000 1.072 507 A CA -1.092 50.910 52.037 -0.057 0.000 0.761 507 A CB 0.181 19.139 19.000 -0.069 0.000 1.004 507 A HN 0.442 nan 8.150 nan 0.000 0.499 508 P HA -0.026 nan 4.420 nan 0.000 0.218 508 P C 0.230 177.567 177.300 0.063 0.000 1.152 508 P CA 0.792 63.913 63.100 0.037 0.000 0.826 508 P CB -0.064 31.678 31.700 0.070 0.000 0.790 509 V N 1.647 121.606 119.914 0.076 0.000 2.368 509 V HA 0.186 4.316 4.120 0.016 0.000 0.266 509 V C 1.522 177.648 176.094 0.053 0.000 1.045 509 V CA 0.135 62.487 62.300 0.086 0.000 0.899 509 V CB 0.879 32.737 31.823 0.059 0.000 1.006 509 V HN -0.118 nan 8.190 nan 0.000 0.470 510 K N 3.571 124.008 120.400 0.062 0.000 2.323 510 K HA 0.284 4.614 4.320 0.016 0.000 0.197 510 K C 0.766 177.472 176.600 0.177 0.000 1.043 510 K CA 0.294 56.610 56.287 0.049 0.000 0.997 510 K CB 0.081 32.608 32.500 0.045 0.000 0.807 510 K HN 0.600 nan 8.250 nan 0.000 0.497 511 M N 0.879 120.551 119.600 0.120 0.000 2.350 511 M HA -0.229 4.261 4.480 0.016 0.000 0.190 511 M C -1.203 175.130 176.300 0.056 0.000 0.710 511 M CA 0.715 56.066 55.300 0.084 0.000 0.495 511 M CB -2.582 30.075 32.600 0.094 0.000 1.136 511 M HN -0.010 nan 8.290 nan 0.000 0.901 512 L N 2.397 123.647 121.223 0.044 0.000 2.315 512 L HA 0.303 4.653 4.340 0.016 0.000 0.283 512 L C -1.514 175.318 176.870 -0.063 0.000 1.089 512 L CA -1.630 53.223 54.840 0.023 0.000 0.833 512 L CB 0.526 42.614 42.059 0.048 0.000 1.170 512 L HN 0.106 nan 8.230 nan 0.000 0.442 513 P HA -0.016 nan 4.420 nan 0.000 0.264 513 P C 0.543 177.762 177.300 -0.136 0.000 1.183 513 P CA 0.102 63.076 63.100 -0.211 0.000 0.763 513 P CB 0.680 32.190 31.700 -0.317 0.000 0.807 514 T N -0.817 113.646 114.554 -0.152 0.000 2.990 514 T HA 0.080 4.439 4.350 0.016 0.000 0.250 514 T C 0.254 175.012 174.700 0.096 0.000 1.041 514 T CA -0.118 61.971 62.100 -0.018 0.000 1.010 514 T CB -0.745 68.095 68.868 -0.046 0.000 1.003 514 T HN 0.290 nan 8.240 nan 0.000 0.499 515 Y N 0.539 120.809 120.300 -0.049 0.000 3.305 515 Y HA -0.138 4.422 4.550 0.015 0.000 0.209 515 Y C -0.438 175.440 175.900 -0.036 0.000 1.354 515 Y CA -0.155 57.921 58.100 -0.039 0.000 1.392 515 Y CB -2.272 36.170 38.460 -0.029 0.000 1.446 515 Y HN 0.232 nan 8.280 nan 0.000 0.553 516 V N -0.038 119.881 119.914 0.008 0.000 2.483 516 V HA 0.640 4.770 4.120 0.016 0.000 0.297 516 V C 0.253 176.324 176.094 -0.037 0.000 1.027 516 V CA -0.765 61.533 62.300 -0.003 0.000 0.855 516 V CB 1.755 33.569 31.823 -0.014 0.000 0.995 516 V HN 0.417 nan 8.190 nan 0.000 0.424 527 D N 0.386 120.550 120.400 -0.393 0.000 2.249 527 D HA 0.665 5.315 4.640 0.016 0.000 0.246 527 D C -0.868 175.087 176.300 -0.574 0.000 1.114 527 D CA 0.364 54.188 54.000 -0.293 0.000 0.854 527 D CB 1.227 41.934 40.800 -0.155 0.000 1.132 527 D HN 0.158 nan 8.370 nan 0.000 0.461 528 F N 0.680 120.664 119.950 0.055 0.000 2.563 528 F HA 0.431 4.966 4.527 0.014 0.000 0.316 528 F C 0.246 176.096 175.800 0.083 0.000 1.076 528 F CA -1.070 56.965 58.000 0.060 0.000 0.921 528 F CB 1.223 40.255 39.000 0.053 0.000 1.209 528 F HN -0.020 nan 8.300 nan 0.000 0.462 529 L N 2.151 123.528 121.223 0.257 0.000 2.399 529 L HA 0.787 5.136 4.340 0.016 0.000 0.266 529 L C -0.046 176.934 176.870 0.182 0.000 1.114 529 L CA -0.473 54.490 54.840 0.205 0.000 0.804 529 L CB 1.302 43.450 42.059 0.148 0.000 1.146 529 L HN 0.818 nan 8.230 nan 0.000 0.451 530 A N 3.040 125.933 122.820 0.121 0.000 2.515 530 A HA 0.863 5.192 4.320 0.016 0.000 0.296 530 A C -1.258 176.363 177.584 0.063 0.000 1.094 530 A CA -0.574 51.524 52.037 0.101 0.000 0.718 530 A CB 1.472 20.525 19.000 0.088 0.000 1.307 530 A HN 0.566 nan 8.150 nan 0.000 0.408 531 L N 0.437 121.749 121.223 0.147 0.000 2.341 531 L HA 0.600 4.950 4.340 0.016 0.000 0.267 531 L C -1.147 175.918 176.870 0.325 0.000 1.009 531 L CA -0.781 54.186 54.840 0.211 0.000 0.819 531 L CB 2.209 44.400 42.059 0.220 0.000 1.323 531 L HN 0.699 nan 8.230 nan 0.000 0.425 532 D N 2.506 123.106 120.400 0.334 0.000 2.389 532 D HA 0.453 5.103 4.640 0.016 0.000 0.256 532 D C -1.625 174.937 176.300 0.437 0.000 1.239 532 D CA -0.181 53.997 54.000 0.296 0.000 0.925 532 D CB 1.406 42.291 40.800 0.142 0.000 1.145 532 D HN 0.193 nan 8.370 nan 0.000 0.542 533 L N 3.043 124.512 121.223 0.410 0.000 2.349 533 L HA 0.775 5.125 4.340 0.016 0.000 0.278 533 L C 0.923 177.837 176.870 0.073 0.000 0.996 533 L CA 0.366 55.416 54.840 0.349 0.000 0.825 533 L CB 1.690 44.022 42.059 0.456 0.000 1.243 533 L HN 0.551 nan 8.230 nan 0.000 0.412 534 G N 2.437 111.240 108.800 0.006 0.000 2.336 534 G HA2 -0.119 3.851 3.960 0.016 0.000 0.194 534 G HA3 -0.119 3.851 3.960 0.016 0.000 0.194 534 G C 0.405 175.196 174.900 -0.182 0.000 0.999 534 G CA -0.120 44.772 45.100 -0.347 0.000 0.669 534 G HN 1.104 nan 8.290 nan 0.000 0.482 535 G N -0.086 108.687 108.800 -0.045 0.000 2.494 535 G HA2 0.485 4.455 3.960 0.016 0.000 0.270 535 G HA3 0.485 4.455 3.960 0.016 0.000 0.270 535 G C 1.477 176.423 174.900 0.078 0.000 1.423 535 G CA 1.415 46.513 45.100 -0.004 0.000 1.055 535 G HN 0.991 nan 8.290 nan 0.000 0.536 536 T N -1.958 112.626 114.554 0.050 0.000 2.867 536 T HA 0.011 4.371 4.350 0.016 0.000 0.268 536 T C 0.716 175.469 174.700 0.087 0.000 1.057 536 T CA 0.716 62.848 62.100 0.054 0.000 1.136 536 T CB -0.069 68.805 68.868 0.010 0.000 0.874 536 T HN 0.247 nan 8.240 nan 0.000 0.466 537 N N 0.851 119.612 118.700 0.102 0.000 2.296 537 N HA 0.395 5.144 4.740 0.016 0.000 0.294 537 N C -1.899 173.743 175.510 0.219 0.000 1.033 537 N CA -0.701 52.426 53.050 0.128 0.000 0.839 537 N CB 1.844 40.363 38.487 0.054 0.000 1.395 537 N HN 0.209 nan 8.380 nan 0.000 0.479 538 F N 2.742 122.756 119.950 0.107 0.000 2.445 538 F HA 0.377 4.915 4.527 0.018 0.000 0.359 538 F C 0.069 175.931 175.800 0.104 0.000 1.101 538 F CA -0.445 57.636 58.000 0.135 0.000 1.177 538 F CB 0.349 39.458 39.000 0.182 0.000 1.110 538 F HN 0.264 nan 8.300 nan 0.000 0.522 539 R N 4.495 124.863 120.500 -0.219 0.000 2.686 539 R HA 0.686 5.035 4.340 0.016 0.000 0.286 539 R C -1.496 174.493 176.300 -0.519 0.000 0.969 539 R CA -1.100 54.764 56.100 -0.393 0.000 0.898 539 R CB 2.415 32.613 30.300 -0.170 0.000 1.183 539 R HN 0.484 nan 8.270 nan 0.000 0.456 540 V N 4.246 123.797 119.914 -0.605 0.000 2.483 540 V HA 0.524 4.653 4.120 0.016 0.000 0.295 540 V C -0.546 174.991 176.094 -0.928 0.000 1.035 540 V CA -0.820 61.088 62.300 -0.654 0.000 0.896 540 V CB 1.533 32.928 31.823 -0.712 0.000 0.986 540 V HN 0.492 nan 8.190 nan 0.000 0.447 541 L N 4.540 125.440 121.223 -0.539 0.000 2.371 541 L HA 0.677 5.027 4.340 0.016 0.000 0.262 541 L C -0.847 176.158 176.870 0.225 0.000 1.006 541 L CA -0.572 54.146 54.840 -0.203 0.000 0.818 541 L CB 1.915 43.955 42.059 -0.032 0.000 1.354 541 L HN 0.526 nan 8.230 nan 0.000 0.415 542 L N 2.385 123.903 121.223 0.491 0.000 2.325 542 L HA 0.787 5.137 4.340 0.016 0.000 0.281 542 L C -1.192 175.864 176.870 0.311 0.000 1.004 542 L CA -0.363 54.728 54.840 0.419 0.000 0.823 542 L CB 1.756 44.036 42.059 0.369 0.000 1.236 542 L HN 0.316 nan 8.230 nan 0.000 0.415 543 V N 5.850 125.917 119.914 0.255 0.000 2.407 543 V HA 0.569 4.698 4.120 0.016 0.000 0.291 543 V C -0.088 176.147 176.094 0.235 0.000 1.018 543 V CA -0.625 61.804 62.300 0.215 0.000 0.842 543 V CB 1.406 33.331 31.823 0.171 0.000 0.996 543 V HN 0.664 nan 8.190 nan 0.000 0.426 544 R N 3.638 124.248 120.500 0.183 0.000 2.246 544 R HA 0.681 5.030 4.340 0.016 0.000 0.332 544 R C -0.750 175.633 176.300 0.137 0.000 0.974 544 R CA -0.403 55.787 56.100 0.150 0.000 0.837 544 R CB 1.875 32.248 30.300 0.122 0.000 1.145 544 R HN 0.531 nan 8.270 nan 0.000 0.467 554 E N 5.564 125.771 120.200 0.013 0.000 2.249 554 E HA 0.745 5.104 4.350 0.016 0.000 0.280 554 E C -1.081 175.536 176.600 0.029 0.000 1.016 554 E CA -0.607 55.801 56.400 0.014 0.000 0.830 554 E CB 1.327 31.079 29.700 0.087 0.000 1.081 554 E HN 0.660 nan 8.360 nan 0.000 0.395 555 M N 4.093 123.639 119.600 -0.089 0.000 2.327 555 M HA 0.362 4.851 4.480 0.016 0.000 0.298 555 M C -1.055 175.126 176.300 -0.199 0.000 1.065 555 M CA -0.656 54.624 55.300 -0.034 0.000 0.916 555 M CB 2.177 34.749 32.600 -0.047 0.000 1.630 555 M HN 0.533 nan 8.290 nan 0.000 0.442 556 H N 1.643 120.800 119.070 0.144 0.000 2.747 556 H HA 0.678 5.251 4.556 0.028 0.000 0.371 556 H C -1.256 174.239 175.328 0.277 0.000 1.161 556 H CA -0.929 55.245 56.048 0.210 0.000 1.167 556 H CB 2.347 32.255 29.762 0.243 0.000 1.732 556 H HN 0.782 nan 8.280 nan 0.000 0.544 557 N N 0.191 119.104 118.700 0.355 0.000 2.710 557 N HA 0.304 5.053 4.740 0.016 0.000 0.257 557 N C -1.719 173.856 175.510 0.108 0.000 1.327 557 N CA -1.014 52.105 53.050 0.116 0.000 0.861 557 N CB 2.832 41.294 38.487 -0.041 0.000 1.532 557 N HN 0.427 nan 8.380 nan 0.000 0.499 558 K N 1.026 121.316 120.400 -0.184 0.000 2.482 558 K HA 0.504 4.834 4.320 0.016 0.000 0.251 558 K C -1.257 175.024 176.600 -0.532 0.000 0.936 558 K CA -0.745 55.323 56.287 -0.366 0.000 0.791 558 K CB 1.504 33.660 32.500 -0.572 0.000 1.213 558 K HN 0.631 nan 8.250 nan 0.000 0.428 559 I N 3.997 124.294 120.570 -0.455 0.000 2.575 559 I HA 0.146 4.325 4.170 0.016 0.000 0.285 559 I C -0.745 175.032 176.117 -0.568 0.000 1.085 559 I CA -0.152 60.927 61.300 -0.367 0.000 1.403 559 I CB 0.383 38.274 38.000 -0.182 0.000 1.409 559 I HN 0.478 nan 8.210 nan 0.000 0.557 560 Y N 4.075 124.245 120.300 -0.217 0.000 2.425 560 Y HA 0.615 5.175 4.550 0.017 0.000 0.344 560 Y C 0.388 176.372 175.900 0.140 0.000 0.969 560 Y CA -1.044 57.014 58.100 -0.069 0.000 1.052 560 Y CB 1.659 40.037 38.460 -0.138 0.000 1.215 560 Y HN 0.595 nan 8.280 nan 0.000 0.451 561 A N 3.804 126.793 122.820 0.281 0.000 2.407 561 A HA 0.544 4.874 4.320 0.016 0.000 0.248 561 A C -0.405 177.393 177.584 0.358 0.000 1.082 561 A CA -0.208 51.974 52.037 0.240 0.000 0.785 561 A CB -0.013 19.067 19.000 0.134 0.000 1.020 561 A HN 0.766 nan 8.150 nan 0.000 0.489 562 I N 4.191 124.877 120.570 0.193 0.000 2.428 562 I HA 0.236 4.416 4.170 0.016 0.000 0.279 562 I C -1.936 174.103 176.117 -0.131 0.000 1.040 562 I CA -1.801 59.503 61.300 0.006 0.000 1.171 562 I CB 1.321 39.290 38.000 -0.052 0.000 1.312 562 I HN 0.538 nan 8.210 nan 0.000 0.470 563 P HA 0.014 nan 4.420 nan 0.000 0.270 563 P C 0.286 177.490 177.300 -0.160 0.000 1.227 563 P CA -0.198 62.821 63.100 -0.136 0.000 0.788 563 P CB 0.947 32.571 31.700 -0.127 0.000 0.926 564 Q N 1.099 120.838 119.800 -0.101 0.000 2.084 564 Q HA -0.181 4.168 4.340 0.016 0.000 0.202 564 Q C 2.359 178.323 176.000 -0.060 0.000 0.978 564 Q CA 2.379 58.144 55.803 -0.062 0.000 0.844 564 Q CB -1.278 27.445 28.738 -0.024 0.000 0.898 564 Q HN 0.744 nan 8.270 nan 0.000 0.426 565 E N 0.696 120.852 120.200 -0.073 0.000 2.072 565 E HA -0.228 4.132 4.350 0.016 0.000 0.218 565 E C 2.157 178.695 176.600 -0.102 0.000 1.051 565 E CA 2.425 58.782 56.400 -0.071 0.000 0.880 565 E CB -1.193 28.463 29.700 -0.073 0.000 0.783 565 E HN 0.230 nan 8.360 nan 0.000 0.473 566 V N -0.098 119.710 119.914 -0.178 0.000 2.515 566 V HA -0.190 3.939 4.120 0.016 0.000 0.250 566 V C 2.632 178.568 176.094 -0.263 0.000 1.058 566 V CA 2.095 64.262 62.300 -0.223 0.000 1.064 566 V CB -0.333 31.267 31.823 -0.372 0.000 0.675 566 V HN 0.572 nan 8.190 nan 0.000 0.461 567 M N -0.603 118.803 119.600 -0.323 0.000 2.175 567 M HA -0.100 4.390 4.480 0.016 0.000 0.264 567 M C 1.778 177.692 176.300 -0.644 0.000 1.063 567 M CA 1.874 56.842 55.300 -0.554 0.000 1.119 567 M CB -0.407 31.844 32.600 -0.582 0.000 1.377 567 M HN 0.365 nan 8.290 nan 0.000 0.415 568 H N -1.083 117.838 119.070 -0.249 0.000 2.542 568 H HA 0.369 4.935 4.556 0.016 0.000 0.283 568 H C 1.053 176.314 175.328 -0.111 0.000 1.059 568 H CA 0.353 56.292 56.048 -0.182 0.000 1.162 568 H CB -0.263 29.412 29.762 -0.145 0.000 1.539 568 H HN 0.425 nan 8.280 nan 0.000 0.543 569 G N 0.897 109.669 108.800 -0.047 0.000 2.679 569 G HA2 0.115 4.085 3.960 0.016 0.000 0.202 569 G HA3 0.115 4.085 3.960 0.016 0.000 0.202 569 G C 0.390 175.299 174.900 0.016 0.000 1.566 569 G CA 0.127 45.218 45.100 -0.014 0.000 1.074 569 G HN 0.297 nan 8.290 nan 0.000 0.564 570 T N -3.611 110.968 114.554 0.042 0.000 2.952 570 T HA 0.523 4.882 4.350 0.016 0.000 0.286 570 T C 1.591 176.376 174.700 0.142 0.000 1.024 570 T CA 0.403 62.557 62.100 0.089 0.000 1.029 570 T CB 1.398 70.316 68.868 0.082 0.000 1.094 570 T HN 0.712 nan 8.240 nan 0.000 0.515 571 G N 0.898 109.824 108.800 0.209 0.000 2.513 571 G HA2 -0.242 3.727 3.960 0.016 0.000 0.219 571 G HA3 -0.242 3.727 3.960 0.016 0.000 0.219 571 G C 1.068 176.179 174.900 0.352 0.000 1.160 571 G CA 1.042 46.345 45.100 0.338 0.000 0.767 571 G HN 0.800 nan 8.290 nan 0.000 0.571 572 D N 0.711 121.231 120.400 0.200 0.000 2.116 572 D HA -0.087 4.562 4.640 0.016 0.000 0.193 572 D C 2.502 178.904 176.300 0.172 0.000 0.998 572 D CA 1.300 55.398 54.000 0.164 0.000 0.836 572 D CB -0.357 40.500 40.800 0.095 0.000 0.951 572 D HN 0.503 nan 8.370 nan 0.000 0.449 573 E N -0.236 120.039 120.200 0.125 0.000 2.110 573 E HA -0.141 4.218 4.350 0.016 0.000 0.193 573 E C 2.003 178.656 176.600 0.088 0.000 0.988 573 E CA 0.285 56.737 56.400 0.087 0.000 0.804 573 E CB -0.043 29.680 29.700 0.038 0.000 0.745 573 E HN 0.127 nan 8.360 nan 0.000 0.458 574 L N -0.181 121.095 121.223 0.088 0.000 2.005 574 L HA -0.094 4.256 4.340 0.016 0.000 0.207 574 L C 1.827 178.672 176.870 -0.042 0.000 1.072 574 L CA 1.694 56.526 54.840 -0.014 0.000 0.744 574 L CB -0.384 41.636 42.059 -0.065 0.000 0.895 574 L HN 0.020 nan 8.230 nan 0.000 0.433 575 F N -0.009 119.986 119.950 0.074 0.000 2.293 575 F HA -0.139 4.397 4.527 0.016 0.000 0.300 575 F C 2.220 178.035 175.800 0.025 0.000 1.086 575 F CA 1.171 59.195 58.000 0.041 0.000 1.375 575 F CB -0.531 38.487 39.000 0.031 0.000 1.045 575 F HN 0.171 nan 8.300 nan 0.000 0.516 576 D N -0.938 119.584 120.400 0.204 0.000 2.104 576 D HA -0.226 4.424 4.640 0.016 0.000 0.194 576 D C 2.043 178.405 176.300 0.102 0.000 0.994 576 D CA 1.543 55.619 54.000 0.126 0.000 0.830 576 D CB -0.445 40.423 40.800 0.114 0.000 0.959 576 D HN 0.293 nan 8.370 nan 0.000 0.452 577 H N 0.396 119.467 119.070 0.002 0.000 2.293 577 H HA -0.000 4.565 4.556 0.016 0.000 0.300 577 H C 2.199 177.510 175.328 -0.029 0.000 1.082 577 H CA 1.391 57.428 56.048 -0.019 0.000 1.308 577 H CB -0.443 29.295 29.762 -0.040 0.000 1.375 577 H HN 0.070 nan 8.280 nan 0.000 0.495 578 I N -0.442 120.091 120.570 -0.061 0.000 2.194 578 I HA -0.288 3.892 4.170 0.016 0.000 0.246 578 I C 2.190 178.250 176.117 -0.096 0.000 1.093 578 I CA 1.358 62.592 61.300 -0.109 0.000 1.355 578 I CB -0.254 37.622 38.000 -0.205 0.000 1.046 578 I HN 0.190 nan 8.210 nan 0.000 0.413 579 V N 0.062 119.943 119.914 -0.055 0.000 2.667 579 V HA -0.248 3.881 4.120 0.016 0.000 0.252 579 V C 2.575 178.617 176.094 -0.088 0.000 1.065 579 V CA 1.782 64.049 62.300 -0.054 0.000 1.083 579 V CB -0.481 31.336 31.823 -0.009 0.000 0.692 579 V HN 0.522 nan 8.190 nan 0.000 0.468 580 Q N -0.830 118.905 119.800 -0.108 0.000 2.124 580 Q HA -0.248 4.101 4.340 0.016 0.000 0.202 580 Q C 2.241 178.108 176.000 -0.223 0.000 0.977 580 Q CA 2.438 58.169 55.803 -0.120 0.000 0.850 580 Q CB -0.953 27.732 28.738 -0.087 0.000 0.901 580 Q HN 0.862 nan 8.270 nan 0.000 0.429 581 C N 0.112 119.167 119.300 -0.409 0.000 2.466 581 C HA 0.113 4.582 4.460 0.016 0.000 0.278 581 C C 2.551 177.203 174.990 -0.562 0.000 1.288 581 C CA 0.715 59.248 59.018 -0.808 0.000 1.722 581 C CB -1.211 25.858 27.740 -1.119 0.000 2.017 581 C HN 0.723 nan 8.230 nan 0.000 0.488 582 I N 1.816 122.212 120.570 -0.289 0.000 2.163 582 I HA -0.257 3.923 4.170 0.016 0.000 0.243 582 I C 2.812 178.925 176.117 -0.007 0.000 1.085 582 I CA 1.849 63.086 61.300 -0.105 0.000 1.347 582 I CB -0.743 37.218 38.000 -0.066 0.000 1.044 582 I HN 0.300 nan 8.210 nan 0.000 0.408 583 A N 0.498 123.291 122.820 -0.044 0.000 1.877 583 A HA -0.300 4.030 4.320 0.016 0.000 0.216 583 A C 1.993 179.593 177.584 0.027 0.000 1.186 583 A CA 2.280 54.314 52.037 -0.006 0.000 0.620 583 A CB -0.817 18.171 19.000 -0.019 0.000 0.822 583 A HN 0.453 nan 8.150 nan 0.000 0.443 584 D N -1.508 118.900 120.400 0.013 0.000 2.133 584 D HA -0.204 4.445 4.640 0.016 0.000 0.195 584 D C 1.610 178.033 176.300 0.205 0.000 0.997 584 D CA 1.653 55.713 54.000 0.099 0.000 0.840 584 D CB -0.229 40.644 40.800 0.121 0.000 0.947 584 D HN 0.358 nan 8.370 nan 0.000 0.452 585 F N 0.564 120.547 119.950 0.056 0.000 2.146 585 F HA -0.024 4.510 4.527 0.012 0.000 0.298 585 F C 1.914 177.799 175.800 0.142 0.000 1.096 585 F CA 1.059 59.143 58.000 0.141 0.000 1.275 585 F CB -0.371 38.685 39.000 0.092 0.000 1.008 585 F HN 0.003 nan 8.300 nan 0.000 0.480 586 L N -0.028 121.228 121.223 0.056 0.000 2.042 586 L HA -0.241 4.108 4.340 0.016 0.000 0.210 586 L C 2.363 179.183 176.870 -0.084 0.000 1.076 586 L CA 1.771 56.575 54.840 -0.060 0.000 0.749 586 L CB -0.776 41.285 42.059 0.003 0.000 0.893 586 L HN 0.182 nan 8.230 nan 0.000 0.432 587 E N -0.798 119.395 120.200 -0.012 0.000 2.017 587 E HA -0.287 4.072 4.350 0.016 0.000 0.193 587 E C 2.056 178.644 176.600 -0.021 0.000 0.997 587 E CA 1.676 58.072 56.400 -0.006 0.000 0.804 587 E CB -0.372 29.350 29.700 0.037 0.000 0.757 587 E HN 0.367 nan 8.360 nan 0.000 0.448 588 Y N 0.776 121.004 120.300 -0.120 0.000 2.096 588 Y HA -0.281 4.277 4.550 0.013 0.000 0.278 588 Y C 2.004 177.734 175.900 -0.282 0.000 1.192 588 Y CA 1.603 59.608 58.100 -0.158 0.000 1.143 588 Y CB 0.024 38.424 38.460 -0.100 0.000 0.963 588 Y HN 0.043 nan 8.280 nan 0.000 0.505 589 M N 0.137 119.530 119.600 -0.345 0.000 2.628 589 M HA 0.188 4.677 4.480 0.016 0.000 0.232 589 M C 1.243 177.361 176.300 -0.303 0.000 1.128 589 M CA 0.771 55.796 55.300 -0.459 0.000 1.040 589 M CB -1.506 30.704 32.600 -0.650 0.000 1.608 589 M HN 0.456 nan 8.290 nan 0.000 0.507 590 G N 2.879 111.547 108.800 -0.220 0.000 2.333 590 G HA2 -0.232 3.737 3.960 0.016 0.000 0.296 590 G HA3 -0.232 3.737 3.960 0.016 0.000 0.296 590 G C 0.241 175.065 174.900 -0.127 0.000 1.059 590 G CA 0.640 45.646 45.100 -0.157 0.000 1.050 590 G HN 0.635 nan 8.290 nan 0.000 0.508 591 M N -2.674 116.860 119.600 -0.109 0.000 4.494 591 M HA 0.532 5.021 4.480 0.016 0.000 0.546 591 M C 0.391 176.658 176.300 -0.055 0.000 2.065 591 M CA -0.185 55.067 55.300 -0.080 0.000 0.552 591 M CB -0.234 32.314 32.600 -0.086 0.000 1.463 591 M HN 0.601 nan 8.290 nan 0.000 0.596 592 K N 0.871 121.243 120.400 -0.046 0.000 2.569 592 K HA 0.356 4.686 4.320 0.016 0.000 0.280 592 K C 1.373 177.961 176.600 -0.020 0.000 0.984 592 K CA 1.145 57.416 56.287 -0.026 0.000 1.064 592 K CB -1.093 31.395 32.500 -0.019 0.000 0.866 592 K HN 1.241 nan 8.250 nan 0.000 0.492 593 G N 0.122 108.916 108.800 -0.011 0.000 2.216 593 G HA2 -0.232 3.737 3.960 0.016 0.000 0.269 593 G HA3 -0.232 3.737 3.960 0.016 0.000 0.269 593 G C 0.531 175.424 174.900 -0.012 0.000 0.981 593 G CA 0.572 45.666 45.100 -0.009 0.000 0.658 593 G HN 1.411 nan 8.290 nan 0.000 0.539 594 V N 0.735 120.638 119.914 -0.018 0.000 2.637 594 V HA 0.451 4.581 4.120 0.016 0.000 0.296 594 V C 1.004 177.087 176.094 -0.017 0.000 1.046 594 V CA 0.731 63.017 62.300 -0.022 0.000 1.066 594 V CB 1.703 33.506 31.823 -0.033 0.000 0.968 594 V HN 0.387 nan 8.190 nan 0.000 0.483 595 S N 5.897 121.586 115.700 -0.019 0.000 2.415 595 S HA 0.605 5.085 4.470 0.016 0.000 0.313 595 S C -0.623 173.966 174.600 -0.020 0.000 1.067 595 S CA -0.530 57.661 58.200 -0.014 0.000 1.099 595 S CB -0.328 62.865 63.200 -0.012 0.000 0.991 595 S HN 0.507 nan 8.310 nan 0.000 0.491 596 L N 6.048 127.265 121.223 -0.010 0.000 2.334 596 L HA 0.617 4.967 4.340 0.016 0.000 0.270 596 L C -2.141 174.741 176.870 0.020 0.000 1.018 596 L CA -2.460 52.368 54.840 -0.020 0.000 0.811 596 L CB 1.839 43.893 42.059 -0.008 0.000 1.271 596 L HN 0.416 nan 8.230 nan 0.000 0.443 597 P HA 0.255 nan 4.420 nan 0.000 0.282 597 P C -1.205 176.229 177.300 0.222 0.000 1.262 597 P CA -0.260 62.920 63.100 0.135 0.000 0.773 597 P CB 0.980 32.800 31.700 0.199 0.000 0.879 598 L N 2.914 124.233 121.223 0.160 0.000 2.329 598 L HA 0.804 5.153 4.340 0.016 0.000 0.279 598 L C 0.050 177.011 176.870 0.152 0.000 1.014 598 L CA -0.327 54.599 54.840 0.145 0.000 0.814 598 L CB 1.510 43.612 42.059 0.071 0.000 1.257 598 L HN 0.469 nan 8.230 nan 0.000 0.424 599 G N 3.777 112.671 108.800 0.155 0.000 2.384 599 G HA2 0.414 4.383 3.960 0.016 0.000 0.316 599 G HA3 0.414 4.383 3.960 0.016 0.000 0.316 599 G C -1.467 173.582 174.900 0.248 0.000 1.160 599 G CA -0.273 44.920 45.100 0.155 0.000 0.936 599 G HN 0.399 nan 8.290 nan 0.000 0.455 600 F N 3.178 123.175 119.950 0.078 0.000 2.361 600 F HA 0.503 5.039 4.527 0.014 0.000 0.364 600 F C 0.194 176.077 175.800 0.137 0.000 1.117 600 F CA -1.281 56.786 58.000 0.112 0.000 1.071 600 F CB 1.463 40.519 39.000 0.093 0.000 1.188 600 F HN 0.219 nan 8.300 nan 0.000 0.464 601 T N 7.713 122.511 114.554 0.406 0.000 2.728 601 T HA 0.274 4.633 4.350 0.016 0.000 0.296 601 T C -1.075 173.694 174.700 0.115 0.000 0.940 601 T CA 0.097 62.297 62.100 0.166 0.000 1.013 601 T CB -0.183 68.762 68.868 0.127 0.000 0.912 601 T HN 0.366 nan 8.240 nan 0.000 0.484 602 F N 3.194 122.989 119.950 -0.257 0.000 2.513 602 F HA 0.350 4.886 4.527 0.015 0.000 0.358 602 F C 0.317 176.007 175.800 -0.183 0.000 1.118 602 F CA -1.157 56.653 58.000 -0.318 0.000 1.037 602 F CB 1.167 39.748 39.000 -0.698 0.000 1.276 602 F HN 0.396 nan 8.300 nan 0.000 0.446 603 S N 6.367 121.674 115.700 -0.656 0.000 3.324 603 S HA 0.349 4.829 4.470 0.016 0.000 0.229 603 S C -0.768 173.045 174.600 -1.312 0.000 1.417 603 S CA -0.019 57.691 58.200 -0.816 0.000 1.211 603 S CB -0.942 61.800 63.200 -0.764 0.000 1.157 603 S HN 0.386 nan 8.310 nan 0.000 0.491 604 F N 1.018 120.665 119.950 -0.506 0.000 2.643 604 F HA 0.481 5.019 4.527 0.017 0.000 0.314 604 F C -2.628 173.051 175.800 -0.202 0.000 1.096 604 F CA -2.678 55.092 58.000 -0.383 0.000 0.953 604 F CB 1.159 39.794 39.000 -0.609 0.000 1.345 604 F HN -0.141 nan 8.300 nan 0.000 0.468 605 P HA 0.216 nan 4.420 nan 0.000 0.276 605 P C -1.011 176.323 177.300 0.056 0.000 1.253 605 P CA 0.011 63.142 63.100 0.052 0.000 0.766 605 P CB 0.631 32.368 31.700 0.063 0.000 0.845 606 C N 3.443 122.781 119.300 0.063 0.000 2.547 606 C HA 0.350 4.820 4.460 0.016 0.000 0.313 606 C C 0.253 175.277 174.990 0.057 0.000 1.191 606 C CA -0.425 58.634 59.018 0.068 0.000 1.474 606 C CB 1.711 29.516 27.740 0.108 0.000 2.081 606 C HN 0.560 nan 8.230 nan 0.000 0.476 607 Q N 2.678 122.508 119.800 0.049 0.000 2.307 607 Q HA 0.199 4.548 4.340 0.016 0.000 0.259 607 Q C -0.603 175.430 176.000 0.056 0.000 0.998 607 Q CA 0.284 56.122 55.803 0.059 0.000 0.923 607 Q CB 0.594 29.366 28.738 0.056 0.000 1.196 607 Q HN 0.634 nan 8.270 nan 0.000 0.416 608 Q N 3.816 123.668 119.800 0.088 0.000 2.398 608 Q HA 0.193 4.542 4.340 0.016 0.000 0.251 608 Q C -0.178 175.917 176.000 0.157 0.000 0.999 608 Q CA -0.327 55.543 55.803 0.112 0.000 0.874 608 Q CB 1.278 30.120 28.738 0.174 0.000 1.215 608 Q HN 0.718 nan 8.270 nan 0.000 0.470 609 N N 0.518 119.232 118.700 0.024 0.000 2.376 609 N HA -0.038 4.711 4.740 0.016 0.000 0.177 609 N C 0.538 175.814 175.510 -0.391 0.000 1.024 609 N CA 0.553 53.575 53.050 -0.046 0.000 0.893 609 N CB 0.565 39.019 38.487 -0.054 0.000 0.980 609 N HN 0.549 nan 8.380 nan 0.000 0.439 610 S N -1.158 114.277 115.700 -0.441 0.000 2.819 610 S HA 0.306 4.785 4.470 0.016 0.000 0.299 610 S C 0.662 175.091 174.600 -0.285 0.000 1.192 610 S CA -0.680 57.065 58.200 -0.757 0.000 0.847 610 S CB 1.044 63.964 63.200 -0.466 0.000 1.224 610 S HN -0.138 nan 8.310 nan 0.000 0.537 611 L N 1.772 122.892 121.223 -0.171 0.000 2.079 611 L HA 0.037 4.386 4.340 0.016 0.000 0.210 611 L C 1.305 178.168 176.870 -0.011 0.000 1.081 611 L CA 2.540 57.377 54.840 -0.005 0.000 0.752 611 L CB -1.054 41.017 42.059 0.020 0.000 0.896 611 L HN 0.951 nan 8.230 nan 0.000 0.433 612 D N -1.599 118.774 120.400 -0.044 0.000 2.525 612 D HA 0.046 4.696 4.640 0.016 0.000 0.229 612 D C 0.129 176.408 176.300 -0.035 0.000 1.202 612 D CA -0.070 53.919 54.000 -0.017 0.000 0.828 612 D CB -0.159 40.635 40.800 -0.012 0.000 1.008 612 D HN 0.375 nan 8.370 nan 0.000 0.493 613 E N 0.663 120.831 120.200 -0.053 0.000 2.432 613 E HA 0.281 4.640 4.350 0.016 0.000 0.272 613 E C -1.594 174.982 176.600 -0.040 0.000 0.937 613 E CA -0.395 55.972 56.400 -0.055 0.000 0.812 613 E CB 0.975 30.630 29.700 -0.076 0.000 1.377 613 E HN 0.126 nan 8.360 nan 0.000 0.399 614 S N 4.594 120.272 115.700 -0.037 0.000 2.647 614 S HA 0.545 5.025 4.470 0.016 0.000 0.300 614 S C -0.397 174.179 174.600 -0.040 0.000 1.129 614 S CA -0.785 57.403 58.200 -0.020 0.000 1.029 614 S CB 0.776 63.974 63.200 -0.003 0.000 1.007 614 S HN 0.431 nan 8.310 nan 0.000 0.484 615 I N 3.837 124.394 120.570 -0.022 0.000 2.304 615 I HA 0.261 4.441 4.170 0.016 0.000 0.291 615 I C -0.212 175.885 176.117 -0.032 0.000 1.018 615 I CA -0.984 60.293 61.300 -0.038 0.000 1.260 615 I CB 1.394 39.378 38.000 -0.026 0.000 1.390 615 I HN 0.611 nan 8.210 nan 0.000 0.475 616 L N 7.674 128.854 121.223 -0.072 0.000 2.500 616 L HA 0.069 4.419 4.340 0.016 0.000 0.272 616 L C 0.626 177.422 176.870 -0.124 0.000 1.149 616 L CA 0.748 55.524 54.840 -0.107 0.000 0.897 616 L CB 0.283 42.173 42.059 -0.282 0.000 1.178 616 L HN 0.622 nan 8.230 nan 0.000 0.473 617 L N 4.562 125.743 121.223 -0.071 0.000 2.049 617 L HA 0.123 4.473 4.340 0.016 0.000 0.203 617 L C 1.090 177.921 176.870 -0.064 0.000 1.074 617 L CA 1.367 56.181 54.840 -0.042 0.000 0.749 617 L CB -0.613 41.449 42.059 0.005 0.000 0.907 617 L HN 0.690 nan 8.230 nan 0.000 0.439 618 K N -0.769 119.587 120.400 -0.073 0.000 2.546 618 K HA 0.346 4.676 4.320 0.016 0.000 0.264 618 K C -1.759 174.821 176.600 -0.034 0.000 0.937 618 K CA -0.690 55.573 56.287 -0.040 0.000 0.833 618 K CB 0.080 32.615 32.500 0.059 0.000 1.378 618 K HN 0.054 nan 8.250 nan 0.000 0.432 619 W N 1.646 122.972 121.300 0.043 0.000 2.126 619 W HA 0.445 5.114 4.660 0.015 0.000 0.346 619 W C 1.278 177.890 176.519 0.155 0.000 1.279 619 W CA 0.873 58.230 57.345 0.020 0.000 1.259 619 W CB 1.525 30.988 29.460 0.006 0.000 1.133 619 W HN 0.978 nan 8.180 nan 0.000 0.592 620 T N -1.462 113.462 114.554 0.617 0.000 2.778 620 T HA 0.602 4.962 4.350 0.016 0.000 0.293 620 T C -0.115 174.866 174.700 0.468 0.000 1.144 620 T CA -0.919 61.448 62.100 0.445 0.000 1.010 620 T CB 2.066 71.135 68.868 0.334 0.000 1.325 620 T HN 0.602 nan 8.240 nan 0.000 0.515 621 K N -0.555 120.066 120.400 0.368 0.000 1.844 621 K HA -0.209 4.121 4.320 0.016 0.000 0.160 621 K C 1.190 177.973 176.600 0.306 0.000 1.448 621 K CA 1.330 57.810 56.287 0.322 0.000 0.446 621 K CB -1.797 30.855 32.500 0.254 0.000 0.635 621 K HN 0.999 nan 8.250 nan 0.000 0.848 622 G N 0.034 109.011 108.800 0.295 0.000 3.277 622 G HA2 0.298 4.268 3.960 0.016 0.000 0.243 622 G HA3 0.298 4.268 3.960 0.016 0.000 0.243 622 G C -0.307 174.563 174.900 -0.051 0.000 1.107 622 G CA -0.318 44.864 45.100 0.136 0.000 0.771 622 G HN 0.151 nan 8.290 nan 0.000 0.544 623 F N 0.593 120.409 119.950 -0.224 0.000 2.429 623 F HA 0.519 5.055 4.527 0.015 0.000 0.348 623 F C 0.992 176.271 175.800 -0.868 0.000 1.109 623 F CA 0.392 57.957 58.000 -0.726 0.000 1.232 623 F CB 1.779 40.158 39.000 -1.035 0.000 1.157 623 F HN 0.025 nan 8.300 nan 0.000 0.564 624 K N 1.625 121.425 120.400 -1.000 0.000 2.722 624 K HA 0.656 4.986 4.320 0.016 0.000 0.174 624 K C -0.072 176.312 176.600 -0.359 0.000 1.173 624 K CA 0.254 56.220 56.287 -0.536 0.000 1.143 624 K CB -0.330 32.091 32.500 -0.132 0.000 0.850 624 K HN 0.833 nan 8.250 nan 0.000 0.477 625 A N 1.593 124.102 122.820 -0.518 0.000 2.462 625 A HA 0.551 4.880 4.320 0.016 0.000 0.243 625 A C 0.778 178.516 177.584 0.257 0.000 1.076 625 A CA 0.460 52.457 52.037 -0.067 0.000 0.773 625 A CB -0.098 18.886 19.000 -0.026 0.000 1.010 625 A HN 1.060 nan 8.150 nan 0.000 0.493 626 S N 1.189 116.997 115.700 0.181 0.000 2.584 626 S HA 0.540 5.020 4.470 0.016 0.000 0.273 626 S C 0.931 175.649 174.600 0.197 0.000 1.311 626 S CA 0.018 58.330 58.200 0.187 0.000 1.034 626 S CB 1.044 64.315 63.200 0.117 0.000 0.939 626 S HN 2.442 nan 8.310 nan 0.000 0.513 627 G N 0.336 109.235 108.800 0.165 0.000 2.246 627 G HA2 -0.223 3.746 3.960 0.016 0.000 0.273 627 G HA3 -0.223 3.746 3.960 0.016 0.000 0.273 627 G C 0.397 175.366 174.900 0.116 0.000 1.055 627 G CA 0.085 45.253 45.100 0.114 0.000 0.851 627 G HN 0.825 nan 8.290 nan 0.000 0.500 628 C N -0.809 118.577 119.300 0.143 0.000 2.426 628 C HA 0.281 4.750 4.460 0.016 0.000 0.436 628 C C 1.306 176.225 174.990 -0.118 0.000 1.380 628 C CA 0.210 59.275 59.018 0.079 0.000 2.446 628 C CB -0.092 27.823 27.740 0.292 0.000 2.794 628 C HN 0.651 nan 8.230 nan 0.000 0.559 629 E N 0.768 120.869 120.200 -0.166 0.000 2.415 629 E HA 0.363 4.722 4.350 0.016 0.000 0.263 629 E C 1.061 177.602 176.600 -0.098 0.000 0.995 629 E CA 0.998 57.273 56.400 -0.209 0.000 0.915 629 E CB 0.108 29.724 29.700 -0.139 0.000 0.951 629 E HN 0.666 nan 8.360 nan 0.000 0.449 630 G N 2.641 111.384 108.800 -0.096 0.000 2.213 630 G HA2 -0.214 3.756 3.960 0.016 0.000 0.236 630 G HA3 -0.214 3.756 3.960 0.016 0.000 0.236 630 G C 0.135 175.002 174.900 -0.055 0.000 0.991 630 G CA -0.226 44.842 45.100 -0.054 0.000 0.629 630 G HN 0.474 nan 8.290 nan 0.000 0.517 631 E N 0.780 120.934 120.200 -0.076 0.000 2.250 631 E HA 0.455 4.815 4.350 0.016 0.000 0.265 631 E C -0.825 175.714 176.600 -0.102 0.000 1.033 631 E CA -0.720 55.631 56.400 -0.083 0.000 0.888 631 E CB 1.198 30.844 29.700 -0.090 0.000 1.151 631 E HN 0.202 nan 8.360 nan 0.000 0.412 632 D N 1.287 121.623 120.400 -0.106 0.000 2.316 632 D HA 0.021 4.671 4.640 0.016 0.000 0.245 632 D C 1.105 177.303 176.300 -0.169 0.000 1.171 632 D CA -0.348 53.586 54.000 -0.112 0.000 0.856 632 D CB 1.059 41.807 40.800 -0.086 0.000 1.090 632 D HN 0.209 nan 8.370 nan 0.000 0.476 633 V N 2.647 122.448 119.914 -0.187 0.000 2.759 633 V HA -0.131 3.998 4.120 0.016 0.000 0.256 633 V C 1.786 177.779 176.094 -0.168 0.000 1.080 633 V CA 0.993 63.144 62.300 -0.249 0.000 1.101 633 V CB -0.559 31.031 31.823 -0.388 0.000 0.698 633 V HN 0.417 nan 8.190 nan 0.000 0.477 634 V N 1.181 121.038 119.914 -0.096 0.000 2.358 634 V HA -0.199 3.930 4.120 0.016 0.000 0.246 634 V C 2.764 178.794 176.094 -0.106 0.000 1.047 634 V CA 2.651 64.925 62.300 -0.044 0.000 1.035 634 V CB -1.365 30.445 31.823 -0.022 0.000 0.658 634 V HN 0.632 nan 8.190 nan 0.000 0.452 635 T N 0.718 115.193 114.554 -0.132 0.000 2.737 635 T HA -0.065 4.294 4.350 0.016 0.000 0.265 635 T C 1.905 176.479 174.700 -0.209 0.000 1.038 635 T CA 1.418 63.440 62.100 -0.130 0.000 1.144 635 T CB -0.323 68.483 68.868 -0.104 0.000 0.866 635 T HN 0.295 nan 8.240 nan 0.000 0.434 636 L N 0.472 121.479 121.223 -0.360 0.000 2.191 636 L HA -0.059 4.290 4.340 0.016 0.000 0.212 636 L C 2.369 178.835 176.870 -0.674 0.000 1.103 636 L CA 0.552 55.032 54.840 -0.601 0.000 0.769 636 L CB -0.532 40.918 42.059 -1.014 0.000 0.908 636 L HN 0.212 nan 8.230 nan 0.000 0.438 637 L N -0.026 120.911 121.223 -0.476 0.000 2.049 637 L HA -0.130 4.219 4.340 0.016 0.000 0.203 637 L C 2.481 179.279 176.870 -0.120 0.000 1.074 637 L CA 1.730 56.482 54.840 -0.145 0.000 0.749 637 L CB -0.478 41.584 42.059 0.004 0.000 0.907 637 L HN 0.027 nan 8.230 nan 0.000 0.439 638 K N -0.268 120.046 120.400 -0.144 0.000 2.044 638 K HA -0.241 4.088 4.320 0.016 0.000 0.210 638 K C 1.959 178.432 176.600 -0.212 0.000 1.049 638 K CA 2.136 58.306 56.287 -0.194 0.000 0.927 638 K CB -0.246 32.176 32.500 -0.130 0.000 0.713 638 K HN 0.460 nan 8.250 nan 0.000 0.443 639 E N 0.172 120.329 120.200 -0.072 0.000 2.085 639 E HA -0.212 4.148 4.350 0.016 0.000 0.194 639 E C 1.988 178.602 176.600 0.023 0.000 0.994 639 E CA 1.264 57.685 56.400 0.035 0.000 0.801 639 E CB -0.126 29.570 29.700 -0.006 0.000 0.743 639 E HN 0.374 nan 8.360 nan 0.000 0.453 640 A N 0.629 123.441 122.820 -0.013 0.000 2.066 640 A HA -0.076 4.253 4.320 0.016 0.000 0.218 640 A C 2.068 179.657 177.584 0.007 0.000 1.157 640 A CA 0.610 52.668 52.037 0.035 0.000 0.670 640 A CB -0.337 18.726 19.000 0.105 0.000 0.804 640 A HN 0.134 nan 8.150 nan 0.000 0.453 641 I N -1.114 119.415 120.570 -0.068 0.000 2.252 641 I HA -0.206 3.973 4.170 0.016 0.000 0.245 641 I C 2.370 178.432 176.117 -0.091 0.000 1.102 641 I CA 0.997 62.229 61.300 -0.114 0.000 1.385 641 I CB -0.392 37.480 38.000 -0.212 0.000 1.064 641 I HN 0.368 nan 8.210 nan 0.000 0.414 642 H N 1.158 120.226 119.070 -0.003 0.000 2.353 642 H HA -0.088 4.478 4.556 0.017 0.000 0.300 642 H C 2.291 177.620 175.328 0.001 0.000 1.090 642 H CA 1.220 57.266 56.048 -0.004 0.000 1.327 642 H CB -0.283 29.473 29.762 -0.009 0.000 1.383 642 H HN 0.311 nan 8.280 nan 0.000 0.508 643 R N 0.562 121.136 120.500 0.123 0.000 2.200 643 R HA -0.043 4.307 4.340 0.016 0.000 0.234 643 R C 0.881 177.214 176.300 0.055 0.000 1.127 643 R CA 0.645 56.790 56.100 0.075 0.000 0.989 643 R CB 0.192 30.528 30.300 0.061 0.000 0.869 643 R HN 0.180 nan 8.270 nan 0.000 0.459 651 V N 3.042 122.968 119.914 0.019 0.000 2.382 651 V HA 0.020 4.150 4.120 0.016 0.000 0.250 651 V C 1.809 177.937 176.094 0.057 0.000 1.069 651 V CA 0.149 62.475 62.300 0.043 0.000 1.130 651 V CB 0.477 32.320 31.823 0.033 0.000 1.165 651 V HN 0.433 nan 8.190 nan 0.000 0.483 652 V N 3.541 123.502 119.914 0.078 0.000 2.591 652 V HA 0.198 4.328 4.120 0.016 0.000 0.249 652 V C 1.040 177.173 176.094 0.066 0.000 1.053 652 V CA 1.509 63.853 62.300 0.073 0.000 1.068 652 V CB -0.112 31.771 31.823 0.100 0.000 0.689 652 V HN 0.881 nan 8.190 nan 0.000 0.462 653 A N -0.821 122.054 122.820 0.091 0.000 2.566 653 A HA 0.693 5.022 4.320 0.016 0.000 0.297 653 A C -1.364 176.299 177.584 0.132 0.000 1.059 653 A CA -0.356 51.733 52.037 0.085 0.000 0.691 653 A CB 1.878 20.915 19.000 0.062 0.000 1.282 653 A HN -0.048 nan 8.150 nan 0.000 0.401 654 V N 2.344 122.314 119.914 0.093 0.000 2.409 654 V HA 0.675 4.804 4.120 0.016 0.000 0.291 654 V C -0.046 176.071 176.094 0.039 0.000 1.020 654 V CA -0.463 61.877 62.300 0.067 0.000 0.848 654 V CB 1.209 33.029 31.823 -0.005 0.000 0.990 654 V HN 1.336 nan 8.190 nan 0.000 0.430 655 V N 1.678 121.612 119.914 0.034 0.000 2.823 655 V HA 0.625 4.755 4.120 0.016 0.000 0.312 655 V C -0.076 176.015 176.094 -0.005 0.000 1.072 655 V CA -0.857 61.453 62.300 0.017 0.000 0.937 655 V CB 1.909 33.742 31.823 0.017 0.000 1.013 655 V HN 0.820 nan 8.190 nan 0.000 0.430 656 N N 1.872 120.555 118.700 -0.029 0.000 2.399 656 N HA 0.015 4.764 4.740 0.016 0.000 0.250 656 N C 0.516 175.978 175.510 -0.080 0.000 1.272 656 N CA 0.338 53.343 53.050 -0.074 0.000 0.928 656 N CB 1.416 39.853 38.487 -0.084 0.000 1.158 656 N HN 0.982 nan 8.380 nan 0.000 0.463 657 D N 0.156 120.484 120.400 -0.119 0.000 2.178 657 D HA -0.181 4.468 4.640 0.016 0.000 0.202 657 D C 1.751 177.995 176.300 -0.093 0.000 0.974 657 D CA 1.841 55.782 54.000 -0.098 0.000 0.841 657 D CB -1.037 39.688 40.800 -0.124 0.000 0.953 657 D HN 0.714 nan 8.370 nan 0.000 0.478 658 T N -0.874 113.610 114.554 -0.116 0.000 2.720 658 T HA -0.156 4.204 4.350 0.016 0.000 0.268 658 T C 2.191 176.839 174.700 -0.087 0.000 1.037 658 T CA 1.558 63.587 62.100 -0.118 0.000 1.144 658 T CB -0.950 67.825 68.868 -0.156 0.000 0.864 658 T HN 0.083 nan 8.240 nan 0.000 0.444 659 V N 1.897 121.766 119.914 -0.076 0.000 2.358 659 V HA 0.067 4.196 4.120 0.016 0.000 0.246 659 V C 3.142 179.212 176.094 -0.040 0.000 1.047 659 V CA 1.764 64.030 62.300 -0.056 0.000 1.035 659 V CB -1.452 30.341 31.823 -0.051 0.000 0.658 659 V HN 0.689 nan 8.190 nan 0.000 0.452 660 G N -0.681 108.098 108.800 -0.035 0.000 2.422 660 G HA2 -0.218 3.752 3.960 0.016 0.000 0.218 660 G HA3 -0.218 3.752 3.960 0.016 0.000 0.218 660 G C 1.701 176.585 174.900 -0.025 0.000 1.146 660 G CA 1.524 46.610 45.100 -0.024 0.000 0.769 660 G HN 0.464 nan 8.290 nan 0.000 0.547 661 T N 0.730 115.264 114.554 -0.034 0.000 2.770 661 T HA -0.057 4.303 4.350 0.016 0.000 0.263 661 T C 2.266 176.951 174.700 -0.024 0.000 1.039 661 T CA 1.119 63.200 62.100 -0.031 0.000 1.142 661 T CB -0.220 68.620 68.868 -0.047 0.000 0.868 661 T HN 0.207 nan 8.240 nan 0.000 0.435 662 M N 0.458 120.038 119.600 -0.034 0.000 2.103 662 M HA -0.181 4.309 4.480 0.016 0.000 0.255 662 M C 1.956 178.253 176.300 -0.005 0.000 1.074 662 M CA 1.823 57.109 55.300 -0.024 0.000 1.090 662 M CB -0.195 32.386 32.600 -0.032 0.000 1.325 662 M HN 0.182 nan 8.290 nan 0.000 0.403 663 M N -1.253 118.344 119.600 -0.004 0.000 2.236 663 M HA -0.078 4.411 4.480 0.016 0.000 0.266 663 M C 2.033 178.359 176.300 0.043 0.000 1.070 663 M CA 1.445 56.754 55.300 0.016 0.000 1.137 663 M CB -1.398 31.203 32.600 0.001 0.000 1.378 663 M HN 0.271 nan 8.290 nan 0.000 0.426 664 T N 0.420 114.984 114.554 0.017 0.000 2.759 664 T HA -0.157 4.203 4.350 0.016 0.000 0.269 664 T C 2.002 176.744 174.700 0.072 0.000 1.042 664 T CA 1.407 63.514 62.100 0.013 0.000 1.140 664 T CB -0.294 68.567 68.868 -0.013 0.000 0.864 664 T HN 0.409 nan 8.240 nan 0.000 0.455 665 C N 0.955 120.290 119.300 0.059 0.000 2.492 665 C HA 0.220 4.690 4.460 0.016 0.000 0.279 665 C C 3.093 178.131 174.990 0.080 0.000 1.335 665 C CA 0.050 59.109 59.018 0.069 0.000 1.734 665 C CB -1.317 26.444 27.740 0.035 0.000 2.027 665 C HN 0.687 nan 8.230 nan 0.000 0.496 666 G N -0.133 108.704 108.800 0.061 0.000 2.470 666 G HA2 -0.246 3.723 3.960 0.016 0.000 0.220 666 G HA3 -0.246 3.723 3.960 0.016 0.000 0.220 666 G C 1.343 176.278 174.900 0.059 0.000 1.121 666 G CA 0.483 45.605 45.100 0.036 0.000 0.766 666 G HN 0.518 nan 8.290 nan 0.000 0.553 667 F N 2.460 122.392 119.950 -0.031 0.000 2.154 667 F HA -0.163 4.367 4.527 0.005 0.000 0.301 667 F C 2.546 178.330 175.800 -0.026 0.000 1.087 667 F CA 2.119 60.103 58.000 -0.027 0.000 1.274 667 F CB 0.129 39.118 39.000 -0.019 0.000 1.009 667 F HN 0.463 nan 8.300 nan 0.000 0.485 668 E N -1.510 118.715 120.200 0.043 0.000 2.489 668 E HA 0.079 4.439 4.350 0.016 0.000 0.204 668 E C -0.401 176.157 176.600 -0.070 0.000 1.006 668 E CA 0.136 56.498 56.400 -0.062 0.000 0.936 668 E CB 0.112 29.878 29.700 0.110 0.000 1.002 668 E HN 0.231 nan 8.360 nan 0.000 0.488 669 D N 0.774 121.139 120.400 -0.058 0.000 2.386 669 D HA 0.193 4.842 4.640 0.016 0.000 0.247 669 D C -2.119 174.104 176.300 -0.129 0.000 1.336 669 D CA -2.466 51.488 54.000 -0.077 0.000 0.976 669 D CB 1.883 42.676 40.800 -0.013 0.000 1.257 669 D HN -0.273 nan 8.370 nan 0.000 0.570 670 P HA -0.155 nan 4.420 nan 0.000 0.218 670 P C 0.745 177.876 177.300 -0.282 0.000 1.146 670 P CA 1.132 64.050 63.100 -0.303 0.000 0.820 670 P CB 0.138 31.570 31.700 -0.447 0.000 0.778 671 H N -2.947 116.099 119.070 -0.040 0.000 2.539 671 H HA 0.111 4.676 4.556 0.016 0.000 0.267 671 H C 0.443 175.740 175.328 -0.052 0.000 0.982 671 H CA -0.285 55.736 56.048 -0.045 0.000 1.146 671 H CB -0.757 28.976 29.762 -0.049 0.000 1.382 671 H HN 0.147 nan 8.280 nan 0.000 0.577 672 C N 2.814 122.132 119.300 0.029 0.000 2.492 672 C HA 0.110 4.579 4.460 0.016 0.000 0.362 672 C C 1.090 176.078 174.990 -0.004 0.000 1.207 672 C CA -0.020 58.997 59.018 -0.001 0.000 1.626 672 C CB -1.205 26.531 27.740 -0.007 0.000 2.239 672 C HN 0.477 nan 8.230 nan 0.000 0.547 673 E N 3.319 123.517 120.200 -0.003 0.000 2.758 673 E HA 0.235 4.594 4.350 0.016 0.000 0.215 673 E C -0.571 176.044 176.600 0.026 0.000 0.985 673 E CA 0.013 56.420 56.400 0.012 0.000 1.102 673 E CB 1.013 30.731 29.700 0.030 0.000 1.042 673 E HN 0.558 nan 8.360 nan 0.000 0.480 674 V N 0.031 119.941 119.914 -0.007 0.000 3.007 674 V HA 0.698 4.828 4.120 0.016 0.000 0.311 674 V C 0.064 176.134 176.094 -0.039 0.000 1.120 674 V CA -1.072 61.225 62.300 -0.004 0.000 0.980 674 V CB 2.135 33.931 31.823 -0.045 0.000 1.033 674 V HN 0.164 nan 8.190 nan 0.000 0.429 675 G N 1.785 110.553 108.800 -0.054 0.000 2.542 675 G HA2 0.748 4.718 3.960 0.016 0.000 0.311 675 G HA3 0.748 4.718 3.960 0.016 0.000 0.311 675 G C -1.998 172.821 174.900 -0.135 0.000 1.298 675 G CA -0.573 44.477 45.100 -0.083 0.000 0.973 675 G HN 0.688 nan 8.290 nan 0.000 0.487 676 L N 1.899 123.044 121.223 -0.129 0.000 2.445 676 L HA 0.756 5.105 4.340 0.016 0.000 0.262 676 L C -1.489 175.294 176.870 -0.144 0.000 0.974 676 L CA -0.833 53.910 54.840 -0.161 0.000 0.822 676 L CB 2.076 44.101 42.059 -0.056 0.000 1.339 676 L HN 0.375 nan 8.230 nan 0.000 0.409 677 I N 5.512 126.001 120.570 -0.136 0.000 2.499 677 I HA 0.451 4.630 4.170 0.016 0.000 0.288 677 I C -0.960 175.142 176.117 -0.025 0.000 1.048 677 I CA -0.535 60.709 61.300 -0.094 0.000 1.062 677 I CB 2.088 40.026 38.000 -0.104 0.000 1.238 677 I HN 0.341 nan 8.210 nan 0.000 0.426 678 V N 6.042 125.935 119.914 -0.035 0.000 2.380 678 V HA 0.673 4.803 4.120 0.016 0.000 0.268 678 V C 0.480 176.522 176.094 -0.086 0.000 1.008 678 V CA -0.216 62.057 62.300 -0.044 0.000 0.823 678 V CB 0.865 32.622 31.823 -0.109 0.000 1.053 678 V HN 0.978 nan 8.190 nan 0.000 0.446 679 G N 2.094 110.858 108.800 -0.061 0.000 3.259 679 G HA2 0.245 4.214 3.960 0.016 0.000 0.193 679 G HA3 0.245 4.214 3.960 0.016 0.000 0.193 679 G C 0.925 175.789 174.900 -0.060 0.000 1.457 679 G CA 0.765 45.826 45.100 -0.065 0.000 0.771 679 G HN 0.317 nan 8.290 nan 0.000 0.765 680 T N 0.624 115.146 114.554 -0.053 0.000 2.746 680 T HA 0.186 4.546 4.350 0.016 0.000 0.267 680 T C 1.208 175.895 174.700 -0.022 0.000 1.039 680 T CA 1.472 63.537 62.100 -0.059 0.000 1.142 680 T CB -0.404 68.439 68.868 -0.042 0.000 0.866 680 T HN 0.660 nan 8.240 nan 0.000 0.444 681 G N -0.316 108.491 108.800 0.012 0.000 2.932 681 G HA2 0.587 4.557 3.960 0.016 0.000 0.283 681 G HA3 0.587 4.557 3.960 0.016 0.000 0.283 681 G C -1.310 173.645 174.900 0.092 0.000 1.336 681 G CA -0.482 44.677 45.100 0.099 0.000 1.056 681 G HN 0.201 nan 8.290 nan 0.000 0.522 682 S N -0.708 115.098 115.700 0.178 0.000 2.536 682 S HA 0.706 5.185 4.470 0.016 0.000 0.287 682 S C -1.018 173.772 174.600 0.316 0.000 1.101 682 S CA -0.729 57.630 58.200 0.266 0.000 0.950 682 S CB 1.633 65.084 63.200 0.418 0.000 1.056 682 S HN 0.765 nan 8.310 nan 0.000 0.481 683 N N 1.045 119.729 118.700 -0.026 0.000 2.859 683 N HA 0.706 5.456 4.740 0.016 0.000 0.250 683 N C -1.780 173.218 175.510 -0.853 0.000 1.341 683 N CA -0.192 52.575 53.050 -0.472 0.000 0.881 683 N CB 1.837 40.210 38.487 -0.191 0.000 1.516 683 N HN 0.800 nan 8.380 nan 0.000 0.503 684 A N 0.317 122.493 122.820 -1.072 0.000 2.498 684 A HA 0.809 5.138 4.320 0.016 0.000 0.298 684 A C -0.556 176.826 177.584 -0.337 0.000 1.075 684 A CA -0.476 51.113 52.037 -0.747 0.000 0.714 684 A CB 0.305 18.654 19.000 -1.085 0.000 1.299 684 A HN 1.186 nan 8.150 nan 0.000 0.407 685 C N -0.493 118.707 119.300 -0.167 0.000 2.971 685 C HA 1.056 5.525 4.460 0.016 0.000 0.310 685 C C -0.984 174.061 174.990 0.091 0.000 1.285 685 C CA -0.919 58.074 59.018 -0.042 0.000 1.593 685 C CB 0.577 28.261 27.740 -0.092 0.000 2.076 685 C HN 1.779 nan 8.230 nan 0.000 0.472 686 Y N -0.500 119.741 120.300 -0.098 0.000 2.677 686 Y HA 0.690 5.249 4.550 0.015 0.000 0.334 686 Y C -0.980 174.882 175.900 -0.064 0.000 1.196 686 Y CA -1.485 56.568 58.100 -0.078 0.000 1.059 686 Y CB 0.858 39.276 38.460 -0.070 0.000 1.315 686 Y HN 0.630 nan 8.280 nan 0.000 0.455 687 M N 3.113 122.708 119.600 -0.009 0.000 2.266 687 M HA 0.243 4.732 4.480 0.016 0.000 0.340 687 M C -0.399 175.846 176.300 -0.091 0.000 1.486 687 M CA 0.182 55.424 55.300 -0.097 0.000 1.209 687 M CB 0.023 32.612 32.600 -0.018 0.000 1.714 687 M HN 0.822 nan 8.290 nan 0.000 0.459 688 E N 2.521 122.559 120.200 -0.271 0.000 2.250 688 E HA 0.259 4.619 4.350 0.016 0.000 0.265 688 E C -0.649 175.899 176.600 -0.086 0.000 1.033 688 E CA -0.333 55.968 56.400 -0.164 0.000 0.888 688 E CB 0.983 30.500 29.700 -0.304 0.000 1.151 688 E HN 0.333 nan 8.360 nan 0.000 0.412 689 E N 3.923 124.102 120.200 -0.036 0.000 2.223 689 E HA 0.029 4.389 4.350 0.016 0.000 0.282 689 E C 0.859 177.427 176.600 -0.053 0.000 1.046 689 E CA -0.192 56.188 56.400 -0.033 0.000 0.857 689 E CB 0.723 30.418 29.700 -0.008 0.000 1.055 689 E HN 0.656 nan 8.360 nan 0.000 0.409 690 M N 2.456 122.018 119.600 -0.063 0.000 2.192 690 M HA -0.264 4.226 4.480 0.016 0.000 0.256 690 M C 1.849 178.115 176.300 -0.056 0.000 1.076 690 M CA 1.817 57.073 55.300 -0.073 0.000 1.075 690 M CB -0.762 31.801 32.600 -0.063 0.000 1.368 690 M HN 0.462 nan 8.290 nan 0.000 0.406 691 R N -0.820 119.657 120.500 -0.037 0.000 2.235 691 R HA -0.052 4.298 4.340 0.016 0.000 0.213 691 R C 1.342 177.627 176.300 -0.025 0.000 1.059 691 R CA 1.227 57.311 56.100 -0.027 0.000 0.997 691 R CB -0.419 29.871 30.300 -0.017 0.000 0.884 691 R HN 0.321 nan 8.270 nan 0.000 0.462 692 N N 0.850 119.534 118.700 -0.027 0.000 2.376 692 N HA 0.005 4.755 4.740 0.016 0.000 0.177 692 N C -0.011 175.476 175.510 -0.039 0.000 1.024 692 N CA 0.628 53.666 53.050 -0.020 0.000 0.893 692 N CB 0.318 38.804 38.487 -0.001 0.000 0.980 692 N HN 0.002 nan 8.380 nan 0.000 0.439 693 V N 2.771 122.643 119.914 -0.069 0.000 2.341 693 V HA 0.060 4.189 4.120 0.016 0.000 0.248 693 V C 1.200 177.243 176.094 -0.086 0.000 1.107 693 V CA 0.071 62.312 62.300 -0.098 0.000 1.069 693 V CB -0.081 31.654 31.823 -0.147 0.000 1.177 693 V HN 0.162 nan 8.190 nan 0.000 0.492 694 E N 2.962 123.120 120.200 -0.070 0.000 2.208 694 E HA -0.056 4.304 4.350 0.016 0.000 0.193 694 E C 1.756 178.311 176.600 -0.074 0.000 0.988 694 E CA 0.656 57.022 56.400 -0.057 0.000 0.828 694 E CB 0.119 29.797 29.700 -0.037 0.000 0.763 694 E HN 0.662 nan 8.360 nan 0.000 0.478 695 L N 0.942 122.096 121.223 -0.116 0.000 2.465 695 L HA -0.002 4.348 4.340 0.016 0.000 0.224 695 L C 0.334 177.148 176.870 -0.094 0.000 1.145 695 L CA 0.364 55.124 54.840 -0.133 0.000 0.834 695 L CB 0.151 42.071 42.059 -0.233 0.000 0.944 695 L HN -0.084 nan 8.230 nan 0.000 0.451 696 V N 0.365 120.219 119.914 -0.099 0.000 2.444 696 V HA 0.132 4.262 4.120 0.016 0.000 0.294 696 V C 0.076 176.141 176.094 -0.049 0.000 1.022 696 V CA -0.996 61.259 62.300 -0.075 0.000 0.850 696 V CB 1.732 33.452 31.823 -0.171 0.000 0.992 696 V HN 0.241 nan 8.190 nan 0.000 0.426 697 E N 3.873 124.065 120.200 -0.014 0.000 2.344 697 E HA 0.593 4.953 4.350 0.016 0.000 0.270 697 E C 0.172 176.766 176.600 -0.011 0.000 1.021 697 E CA 0.146 56.540 56.400 -0.011 0.000 0.887 697 E CB 1.300 31.001 29.700 0.001 0.000 0.997 697 E HN 1.144 nan 8.360 nan 0.000 0.429 698 G N 2.337 111.127 108.800 -0.016 0.000 2.435 698 G HA2 -0.058 3.911 3.960 0.016 0.000 0.603 698 G HA3 -0.058 3.911 3.960 0.016 0.000 0.603 698 G C -0.387 174.497 174.900 -0.026 0.000 1.496 698 G CA -0.556 44.534 45.100 -0.017 0.000 0.896 698 G HN 0.564 nan 8.290 nan 0.000 0.657 699 E N -0.079 120.109 120.200 -0.021 0.000 2.715 699 E HA 0.091 4.451 4.350 0.016 0.000 0.224 699 E C -0.220 176.368 176.600 -0.020 0.000 0.962 699 E CA -0.225 56.162 56.400 -0.022 0.000 1.145 699 E CB 1.189 30.880 29.700 -0.016 0.000 1.083 699 E HN 0.557 nan 8.360 nan 0.000 0.506 700 E N 1.016 121.205 120.200 -0.019 0.000 2.191 700 E HA 0.491 4.850 4.350 0.016 0.000 0.274 700 E C 0.634 177.221 176.600 -0.022 0.000 0.948 700 E CA -0.251 56.139 56.400 -0.017 0.000 0.802 700 E CB 2.018 31.712 29.700 -0.011 0.000 1.137 700 E HN 0.204 nan 8.360 nan 0.000 0.397 701 G N 2.395 111.182 108.800 -0.021 0.000 2.681 701 G HA2 -0.244 3.726 3.960 0.016 0.000 0.220 701 G HA3 -0.244 3.726 3.960 0.016 0.000 0.220 701 G C -0.683 174.195 174.900 -0.037 0.000 1.353 701 G CA -0.612 44.473 45.100 -0.025 0.000 0.872 701 G HN 0.486 nan 8.290 nan 0.000 0.557 702 R N -1.104 119.369 120.500 -0.044 0.000 2.744 702 R HA 0.758 5.108 4.340 0.016 0.000 0.279 702 R C -0.105 176.142 176.300 -0.087 0.000 0.977 702 R CA -0.779 55.284 56.100 -0.061 0.000 0.906 702 R CB 2.082 32.354 30.300 -0.045 0.000 1.197 702 R HN 0.701 nan 8.270 nan 0.000 0.463 703 M N 1.687 121.211 119.600 -0.128 0.000 2.457 703 M HA 0.346 4.836 4.480 0.016 0.000 0.300 703 M C -1.001 175.177 176.300 -0.202 0.000 1.141 703 M CA -0.710 54.492 55.300 -0.164 0.000 0.901 703 M CB 1.968 34.437 32.600 -0.219 0.000 1.687 703 M HN 0.768 nan 8.290 nan 0.000 0.449 704 C N 3.819 123.010 119.300 -0.181 0.000 2.653 704 C HA 0.482 4.952 4.460 0.016 0.000 0.421 704 C C -0.277 174.558 174.990 -0.258 0.000 1.334 704 C CA -0.093 58.800 59.018 -0.208 0.000 1.885 704 C CB -0.200 27.461 27.740 -0.132 0.000 2.645 704 C HN 0.608 nan 8.230 nan 0.000 0.601 705 V N 6.964 126.664 119.914 -0.357 0.000 2.444 705 V HA 0.286 4.416 4.120 0.016 0.000 0.294 705 V C -0.074 175.892 176.094 -0.214 0.000 1.022 705 V CA -0.431 61.680 62.300 -0.314 0.000 0.850 705 V CB 1.627 33.189 31.823 -0.436 0.000 0.992 705 V HN 0.883 nan 8.190 nan 0.000 0.426 706 N N 5.354 123.982 118.700 -0.120 0.000 2.448 706 N HA 0.234 4.983 4.740 0.016 0.000 0.250 706 N C 0.941 176.433 175.510 -0.029 0.000 1.136 706 N CA 0.067 53.072 53.050 -0.075 0.000 0.953 706 N CB 0.853 39.306 38.487 -0.057 0.000 1.251 706 N HN 0.666 nan 8.380 nan 0.000 0.502 707 M N 1.178 120.774 119.600 -0.006 0.000 2.213 707 M HA -0.069 4.420 4.480 0.016 0.000 0.263 707 M C -0.010 176.348 176.300 0.097 0.000 1.062 707 M CA 0.952 56.295 55.300 0.072 0.000 1.105 707 M CB -0.166 32.506 32.600 0.121 0.000 1.385 707 M HN 0.418 nan 8.290 nan 0.000 0.417 708 E N 0.082 120.320 120.200 0.063 0.000 2.230 708 E HA -0.221 4.138 4.350 0.016 0.000 0.206 708 E C 0.100 176.859 176.600 0.265 0.000 1.309 708 E CA 0.760 57.231 56.400 0.118 0.000 0.697 708 E CB -1.564 28.194 29.700 0.097 0.000 1.146 708 E HN 0.805 nan 8.360 nan 0.000 0.363 709 W N -0.538 120.835 121.300 0.121 0.000 2.800 709 W HA 0.260 4.930 4.660 0.017 0.000 0.249 709 W C 1.509 178.227 176.519 0.333 0.000 1.294 709 W CA 0.580 58.028 57.345 0.172 0.000 1.402 709 W CB -1.161 28.394 29.460 0.157 0.000 1.126 709 W HN 0.159 nan 8.180 nan 0.000 0.652 710 G N 1.339 110.584 108.800 0.742 0.000 2.485 710 G HA2 -0.146 3.823 3.960 0.016 0.000 0.221 710 G HA3 -0.146 3.823 3.960 0.016 0.000 0.221 710 G C 1.657 176.779 174.900 0.370 0.000 1.115 710 G CA 1.595 47.005 45.100 0.516 0.000 0.751 710 G HN 0.471 nan 8.290 nan 0.000 0.567 711 A N -0.285 122.722 122.820 0.312 0.000 2.275 711 A HA 0.459 4.788 4.320 0.016 0.000 0.212 711 A C 0.694 178.409 177.584 0.218 0.000 1.201 711 A CA -0.681 51.482 52.037 0.210 0.000 0.843 711 A CB -0.263 18.830 19.000 0.156 0.000 0.873 711 A HN 0.242 nan 8.150 nan 0.000 0.492 712 F N 1.315 121.298 119.950 0.054 0.000 2.623 712 F HA 0.340 4.877 4.527 0.016 0.000 0.383 712 F C 1.377 177.141 175.800 -0.060 0.000 1.077 712 F CA 1.091 59.030 58.000 -0.102 0.000 1.268 712 F CB -0.075 38.671 39.000 -0.423 0.000 1.053 712 F HN 0.412 nan 8.300 nan 0.000 0.571 713 G N 4.203 112.836 108.800 -0.278 0.000 2.217 713 G HA2 -0.314 3.656 3.960 0.016 0.000 0.246 713 G HA3 -0.314 3.656 3.960 0.016 0.000 0.246 713 G C 0.865 175.701 174.900 -0.108 0.000 0.990 713 G CA 0.305 45.217 45.100 -0.314 0.000 0.627 713 G HN 0.590 nan 8.290 nan 0.000 0.522 714 D N 1.195 121.581 120.400 -0.024 0.000 2.310 714 D HA -0.036 4.614 4.640 0.016 0.000 0.212 714 D C 2.178 178.473 176.300 -0.009 0.000 0.965 714 D CA 1.318 55.317 54.000 -0.001 0.000 0.879 714 D CB -0.197 40.622 40.800 0.032 0.000 0.921 714 D HN 0.698 nan 8.370 nan 0.000 0.510 715 N N -0.242 118.450 118.700 -0.012 0.000 2.398 715 N HA 0.037 4.786 4.740 0.016 0.000 0.188 715 N C 1.333 176.824 175.510 -0.032 0.000 1.122 715 N CA 0.863 53.904 53.050 -0.014 0.000 0.866 715 N CB 0.208 38.696 38.487 0.002 0.000 0.970 715 N HN 0.151 nan 8.380 nan 0.000 0.462 716 G N 0.007 108.774 108.800 -0.055 0.000 2.176 716 G HA2 -0.331 3.639 3.960 0.016 0.000 0.232 716 G HA3 -0.331 3.639 3.960 0.016 0.000 0.232 716 G C 0.909 175.755 174.900 -0.091 0.000 0.986 716 G CA 0.173 45.233 45.100 -0.067 0.000 0.643 716 G HN 0.777 nan 8.290 nan 0.000 0.522 717 C N -0.252 118.980 119.300 -0.113 0.000 2.539 717 C HA 0.674 5.144 4.460 0.016 0.000 0.271 717 C C 1.905 176.794 174.990 -0.168 0.000 1.412 717 C CA 0.703 59.649 59.018 -0.119 0.000 1.729 717 C CB -1.094 26.601 27.740 -0.076 0.000 1.739 717 C HN 0.429 nan 8.230 nan 0.000 0.570 718 L N 0.093 121.205 121.223 -0.186 0.000 3.016 718 L HA 0.265 4.615 4.340 0.016 0.000 0.267 718 L C 1.138 177.979 176.870 -0.049 0.000 1.182 718 L CA 0.045 54.840 54.840 -0.076 0.000 0.997 718 L CB -0.164 41.800 42.059 -0.159 0.000 1.354 718 L HN 0.073 nan 8.230 nan 0.000 0.569 719 D N 0.999 121.335 120.400 -0.107 0.000 2.310 719 D HA -0.152 4.497 4.640 0.016 0.000 0.212 719 D C 1.499 177.713 176.300 -0.143 0.000 0.965 719 D CA 1.046 54.986 54.000 -0.100 0.000 0.879 719 D CB 0.126 40.869 40.800 -0.094 0.000 0.921 719 D HN 0.461 nan 8.370 nan 0.000 0.510 720 D N -0.606 119.638 120.400 -0.260 0.000 2.317 720 D HA -0.129 4.521 4.640 0.016 0.000 0.211 720 D C 1.232 177.287 176.300 -0.409 0.000 0.966 720 D CA 0.298 54.074 54.000 -0.374 0.000 0.876 720 D CB -0.674 39.820 40.800 -0.509 0.000 0.927 720 D HN 0.212 nan 8.370 nan 0.000 0.519 721 F N 0.607 120.536 119.950 -0.035 0.000 2.727 721 F HA 0.297 4.834 4.527 0.017 0.000 0.302 721 F C 0.913 176.707 175.800 -0.010 0.000 1.097 721 F CA -0.441 57.551 58.000 -0.014 0.000 1.330 721 F CB 0.155 39.142 39.000 -0.022 0.000 1.084 721 F HN -0.316 nan 8.300 nan 0.000 0.578 722 R N 0.503 121.059 120.500 0.093 0.000 2.368 722 R HA 0.440 4.790 4.340 0.016 0.000 0.302 722 R C 0.426 176.722 176.300 -0.008 0.000 1.002 722 R CA -0.170 55.958 56.100 0.047 0.000 0.929 722 R CB 1.279 31.583 30.300 0.006 0.000 1.073 722 R HN 0.090 nan 8.270 nan 0.000 0.464 723 T N -2.372 112.177 114.554 -0.008 0.000 2.910 723 T HA 0.109 4.468 4.350 0.016 0.000 0.279 723 T C 1.269 175.838 174.700 -0.218 0.000 0.989 723 T CA -0.859 61.179 62.100 -0.103 0.000 0.968 723 T CB 1.189 70.066 68.868 0.014 0.000 1.135 723 T HN 0.687 nan 8.240 nan 0.000 0.562 724 E N 0.033 119.953 120.200 -0.466 0.000 2.204 724 E HA -0.112 4.248 4.350 0.016 0.000 0.195 724 E C 1.103 177.439 176.600 -0.441 0.000 0.990 724 E CA 1.139 57.241 56.400 -0.498 0.000 0.821 724 E CB -0.640 28.688 29.700 -0.620 0.000 0.750 724 E HN 0.673 nan 8.360 nan 0.000 0.477 725 F N 1.858 121.782 119.950 -0.042 0.000 2.416 725 F HA 0.084 4.621 4.527 0.016 0.000 0.296 725 F C 1.827 177.616 175.800 -0.018 0.000 1.099 725 F CA 0.443 58.423 58.000 -0.032 0.000 1.427 725 F CB -0.155 38.815 39.000 -0.049 0.000 1.079 725 F HN -0.089 nan 8.300 nan 0.000 0.536 726 D N 0.506 120.974 120.400 0.114 0.000 2.144 726 D HA -0.109 4.540 4.640 0.016 0.000 0.200 726 D C 2.517 178.824 176.300 0.011 0.000 0.978 726 D CA 1.212 55.245 54.000 0.055 0.000 0.833 726 D CB -0.295 40.526 40.800 0.035 0.000 0.961 726 D HN 0.150 nan 8.370 nan 0.000 0.470 727 V N 1.812 121.711 119.914 -0.024 0.000 2.295 727 V HA -0.228 3.902 4.120 0.016 0.000 0.246 727 V C 2.626 178.715 176.094 -0.010 0.000 1.049 727 V CA 1.803 64.082 62.300 -0.035 0.000 1.024 727 V CB -0.699 31.082 31.823 -0.070 0.000 0.648 727 V HN 0.162 nan 8.190 nan 0.000 0.447 728 A N -0.416 122.408 122.820 0.006 0.000 1.902 728 A HA -0.160 4.169 4.320 0.016 0.000 0.217 728 A C 2.392 180.011 177.584 0.058 0.000 1.181 728 A CA 2.039 54.098 52.037 0.036 0.000 0.623 728 A CB -0.661 18.378 19.000 0.065 0.000 0.818 728 A HN 0.330 nan 8.150 nan 0.000 0.443 729 V N 0.485 120.442 119.914 0.072 0.000 2.343 729 V HA -0.238 3.891 4.120 0.016 0.000 0.247 729 V C 2.401 178.528 176.094 0.056 0.000 1.051 729 V CA 2.441 64.795 62.300 0.089 0.000 1.036 729 V CB -0.715 31.174 31.823 0.109 0.000 0.654 729 V HN 0.676 nan 8.190 nan 0.000 0.451 730 D N 0.276 120.683 120.400 0.011 0.000 2.097 730 D HA -0.194 4.455 4.640 0.016 0.000 0.195 730 D C 2.143 178.455 176.300 0.019 0.000 0.989 730 D CA 1.580 55.573 54.000 -0.011 0.000 0.827 730 D CB -0.104 40.679 40.800 -0.027 0.000 0.966 730 D HN 0.538 nan 8.370 nan 0.000 0.456 731 E N -0.887 119.326 120.200 0.021 0.000 2.427 731 E HA 0.017 4.377 4.350 0.016 0.000 0.196 731 E C 1.202 177.824 176.600 0.037 0.000 1.028 731 E CA 0.168 56.583 56.400 0.024 0.000 0.864 731 E CB 0.229 29.937 29.700 0.013 0.000 0.813 731 E HN 0.382 nan 8.360 nan 0.000 0.514 732 L N 0.829 122.083 121.223 0.051 0.000 2.818 732 L HA 0.163 4.512 4.340 0.016 0.000 0.243 732 L C 0.673 177.590 176.870 0.079 0.000 1.185 732 L CA -0.428 54.447 54.840 0.059 0.000 0.988 732 L CB 0.246 42.340 42.059 0.059 0.000 1.292 732 L HN -0.025 nan 8.230 nan 0.000 0.519 733 S N -1.004 114.750 115.700 0.090 0.000 2.652 733 S HA 0.359 4.839 4.470 0.016 0.000 0.270 733 S C 1.214 175.881 174.600 0.111 0.000 1.243 733 S CA -0.737 57.540 58.200 0.128 0.000 0.999 733 S CB 1.497 64.781 63.200 0.139 0.000 0.973 733 S HN 0.156 nan 8.310 nan 0.000 0.544 734 L N 0.631 121.936 121.223 0.136 0.000 2.079 734 L HA -0.117 4.233 4.340 0.016 0.000 0.210 734 L C 0.817 177.764 176.870 0.129 0.000 1.081 734 L CA 1.245 56.163 54.840 0.130 0.000 0.752 734 L CB -0.804 41.351 42.059 0.160 0.000 0.896 734 L HN 0.805 nan 8.230 nan 0.000 0.433 735 N N -1.218 117.564 118.700 0.136 0.000 3.040 735 N HA 0.244 4.994 4.740 0.016 0.000 0.305 735 N C -2.774 172.784 175.510 0.079 0.000 1.611 735 N CA -2.050 51.072 53.050 0.120 0.000 1.049 735 N CB -0.053 38.524 38.487 0.150 0.000 1.342 735 N HN -0.019 nan 8.380 nan 0.000 0.497 736 P HA 0.182 nan 4.420 nan 0.000 0.265 736 P C 1.109 178.428 177.300 0.032 0.000 1.193 736 P CA 0.882 64.006 63.100 0.040 0.000 0.765 736 P CB 0.601 32.324 31.700 0.037 0.000 0.823 737 G N 0.957 109.767 108.800 0.016 0.000 2.176 737 G HA2 -0.226 3.743 3.960 0.016 0.000 0.253 737 G HA3 -0.226 3.743 3.960 0.016 0.000 0.253 737 G C 0.114 175.024 174.900 0.017 0.000 0.979 737 G CA 0.115 45.222 45.100 0.012 0.000 0.641 737 G HN 0.544 nan 8.290 nan 0.000 0.530 738 K N -0.167 120.248 120.400 0.026 0.000 2.340 738 K HA 0.726 5.056 4.320 0.016 0.000 0.244 738 K C 0.625 177.243 176.600 0.030 0.000 0.973 738 K CA -0.635 55.678 56.287 0.043 0.000 0.828 738 K CB 0.958 33.502 32.500 0.073 0.000 1.226 738 K HN 0.096 nan 8.250 nan 0.000 0.437 739 Q N 0.894 120.732 119.800 0.062 0.000 2.451 739 Q HA -0.279 4.070 4.340 0.016 0.000 0.305 739 Q C 0.207 176.209 176.000 0.004 0.000 1.345 739 Q CA 0.623 56.469 55.803 0.071 0.000 0.854 739 Q CB -1.415 27.371 28.738 0.080 0.000 1.162 739 Q HN 0.605 nan 8.270 nan 0.000 0.440 740 R N -0.885 119.631 120.500 0.027 0.000 2.090 740 R HA -0.029 4.321 4.340 0.016 0.000 0.228 740 R C 1.917 178.245 176.300 0.047 0.000 1.110 740 R CA 1.174 57.268 56.100 -0.010 0.000 0.973 740 R CB -0.149 30.142 30.300 -0.014 0.000 0.869 740 R HN 0.258 nan 8.270 nan 0.000 0.440 741 F N 2.131 122.041 119.950 -0.067 0.000 2.051 741 F HA -0.202 4.334 4.527 0.016 0.000 0.296 741 F C 2.354 178.135 175.800 -0.032 0.000 1.122 741 F CA 1.871 59.832 58.000 -0.065 0.000 1.201 741 F CB -0.538 38.460 39.000 -0.004 0.000 0.978 741 F HN 0.007 nan 8.300 nan 0.000 0.472 742 E N 0.283 120.517 120.200 0.057 0.000 2.147 742 E HA -0.290 4.069 4.350 0.016 0.000 0.199 742 E C 1.973 178.547 176.600 -0.043 0.000 1.005 742 E CA 1.773 58.187 56.400 0.022 0.000 0.810 742 E CB -0.262 29.534 29.700 0.161 0.000 0.736 742 E HN 0.428 nan 8.360 nan 0.000 0.460 743 K N -0.553 119.726 120.400 -0.202 0.000 2.504 743 K HA -0.002 4.327 4.320 0.016 0.000 0.195 743 K C 1.574 178.115 176.600 -0.097 0.000 1.036 743 K CA 0.821 56.873 56.287 -0.393 0.000 0.984 743 K CB 0.105 32.270 32.500 -0.559 0.000 0.788 743 K HN 0.334 nan 8.250 nan 0.000 0.488 744 M N -0.512 119.033 119.600 -0.092 0.000 2.371 744 M HA 0.152 4.642 4.480 0.016 0.000 0.246 744 M C 1.278 177.528 176.300 -0.084 0.000 1.103 744 M CA 0.576 55.835 55.300 -0.068 0.000 1.010 744 M CB 0.489 33.041 32.600 -0.081 0.000 1.457 744 M HN 0.077 nan 8.290 nan 0.000 0.486 745 I N -1.394 119.128 120.570 -0.082 0.000 4.046 745 I HA 0.059 4.238 4.170 0.016 0.000 0.285 745 I C 1.095 177.237 176.117 0.043 0.000 1.183 745 I CA 0.038 61.311 61.300 -0.044 0.000 1.337 745 I CB 0.598 38.488 38.000 -0.184 0.000 1.478 745 I HN 0.101 nan 8.210 nan 0.000 0.452 746 S N 0.565 116.324 115.700 0.097 0.000 2.652 746 S HA 0.341 4.820 4.470 0.016 0.000 0.270 746 S C 1.137 175.762 174.600 0.042 0.000 1.243 746 S CA 0.017 58.264 58.200 0.078 0.000 0.999 746 S CB 1.369 64.660 63.200 0.152 0.000 0.973 746 S HN 0.302 nan 8.310 nan 0.000 0.544 747 G N 0.074 108.848 108.800 -0.044 0.000 2.471 747 G HA2 -0.136 3.834 3.960 0.016 0.000 0.219 747 G HA3 -0.136 3.834 3.960 0.016 0.000 0.219 747 G C 1.147 175.987 174.900 -0.100 0.000 1.125 747 G CA 0.601 45.661 45.100 -0.067 0.000 0.775 747 G HN 0.752 nan 8.290 nan 0.000 0.548 748 M N -0.938 118.531 119.600 -0.219 0.000 2.394 748 M HA 0.088 4.577 4.480 0.016 0.000 0.264 748 M C 1.539 177.536 176.300 -0.505 0.000 1.073 748 M CA 1.234 56.278 55.300 -0.427 0.000 1.111 748 M CB 0.123 32.303 32.600 -0.700 0.000 1.401 748 M HN 0.334 nan 8.290 nan 0.000 0.448 749 Y N -1.331 118.994 120.300 0.042 0.000 2.638 749 Y HA 0.202 4.761 4.550 0.016 0.000 0.275 749 Y C 1.743 177.668 175.900 0.042 0.000 1.122 749 Y CA -0.052 58.076 58.100 0.046 0.000 1.266 749 Y CB -0.350 38.133 38.460 0.039 0.000 1.317 749 Y HN -0.019 nan 8.280 nan 0.000 0.501 750 L N -0.179 121.137 121.223 0.154 0.000 2.089 750 L HA -0.237 4.113 4.340 0.016 0.000 0.213 750 L C 2.425 179.339 176.870 0.073 0.000 1.079 750 L CA 1.806 56.702 54.840 0.093 0.000 0.758 750 L CB -0.994 41.098 42.059 0.055 0.000 0.891 750 L HN 0.423 nan 8.230 nan 0.000 0.433 751 G N -1.038 107.827 108.800 0.107 0.000 2.421 751 G HA2 -0.172 3.797 3.960 0.016 0.000 0.217 751 G HA3 -0.172 3.797 3.960 0.016 0.000 0.217 751 G C 1.463 176.475 174.900 0.188 0.000 1.143 751 G CA 0.103 45.302 45.100 0.166 0.000 0.784 751 G HN 0.255 nan 8.290 nan 0.000 0.541 752 E N 0.538 120.838 120.200 0.166 0.000 2.150 752 E HA -0.023 4.337 4.350 0.016 0.000 0.193 752 E C 2.568 179.233 176.600 0.108 0.000 0.985 752 E CA 0.343 56.838 56.400 0.158 0.000 0.814 752 E CB -0.092 29.714 29.700 0.177 0.000 0.752 752 E HN 0.536 nan 8.360 nan 0.000 0.466 753 I N 0.310 120.928 120.570 0.080 0.000 2.202 753 I HA -0.215 3.965 4.170 0.016 0.000 0.242 753 I C 2.420 178.474 176.117 -0.105 0.000 1.091 753 I CA 0.601 61.916 61.300 0.025 0.000 1.368 753 I CB -0.485 37.534 38.000 0.032 0.000 1.058 753 I HN -0.085 nan 8.210 nan 0.000 0.410 754 V N 1.199 121.027 119.914 -0.144 0.000 2.252 754 V HA -0.355 3.775 4.120 0.016 0.000 0.249 754 V C 2.723 178.653 176.094 -0.273 0.000 1.056 754 V CA 2.347 64.468 62.300 -0.298 0.000 1.022 754 V CB -0.813 30.736 31.823 -0.457 0.000 0.641 754 V HN 0.426 nan 8.190 nan 0.000 0.445 755 R N 0.017 120.467 120.500 -0.083 0.000 2.073 755 R HA -0.170 4.180 4.340 0.016 0.000 0.234 755 R C 2.274 178.591 176.300 0.028 0.000 1.134 755 R CA 1.883 58.056 56.100 0.123 0.000 0.952 755 R CB -0.354 30.128 30.300 0.303 0.000 0.850 755 R HN 0.577 nan 8.270 nan 0.000 0.433 756 N N 0.471 119.170 118.700 -0.002 0.000 2.149 756 N HA -0.175 4.575 4.740 0.016 0.000 0.188 756 N C 1.851 177.240 175.510 -0.202 0.000 1.019 756 N CA 1.544 54.597 53.050 0.004 0.000 0.857 756 N CB -0.086 38.471 38.487 0.118 0.000 0.997 756 N HN 0.324 nan 8.380 nan 0.000 0.426 757 I N 1.132 121.362 120.570 -0.567 0.000 2.286 757 I HA -0.198 3.982 4.170 0.016 0.000 0.245 757 I C 2.144 177.816 176.117 -0.742 0.000 1.104 757 I CA 0.673 61.336 61.300 -1.062 0.000 1.397 757 I CB -0.119 37.190 38.000 -1.151 0.000 1.072 757 I HN 0.055 nan 8.210 nan 0.000 0.417 758 L N 0.248 121.241 121.223 -0.383 0.000 2.093 758 L HA -0.185 4.164 4.340 0.016 0.000 0.208 758 L C 2.506 179.414 176.870 0.063 0.000 1.085 758 L CA 1.387 56.160 54.840 -0.112 0.000 0.755 758 L CB -0.492 41.623 42.059 0.095 0.000 0.904 758 L HN 0.231 nan 8.230 nan 0.000 0.435 759 I N 0.200 120.801 120.570 0.051 0.000 2.179 759 I HA -0.304 3.875 4.170 0.016 0.000 0.242 759 I C 2.250 178.441 176.117 0.123 0.000 1.088 759 I CA 1.584 62.951 61.300 0.112 0.000 1.357 759 I CB -0.303 37.755 38.000 0.097 0.000 1.051 759 I HN 0.282 nan 8.210 nan 0.000 0.409 760 D N 0.742 121.195 120.400 0.087 0.000 2.123 760 D HA -0.223 4.427 4.640 0.016 0.000 0.196 760 D C 2.118 178.586 176.300 0.280 0.000 0.992 760 D CA 1.536 55.644 54.000 0.181 0.000 0.833 760 D CB 0.009 40.977 40.800 0.280 0.000 0.954 760 D HN 0.094 nan 8.370 nan 0.000 0.455 761 F N 0.880 120.863 119.950 0.055 0.000 2.095 761 F HA -0.131 4.406 4.527 0.016 0.000 0.298 761 F C 2.684 178.517 175.800 0.056 0.000 1.104 761 F CA 1.306 59.326 58.000 0.033 0.000 1.232 761 F CB -1.340 37.647 39.000 -0.022 0.000 0.987 761 F HN 0.038 nan 8.300 nan 0.000 0.475 762 T N 1.066 115.802 114.554 0.302 0.000 2.674 762 T HA -0.200 4.159 4.350 0.016 0.000 0.265 762 T C 1.983 176.791 174.700 0.181 0.000 1.039 762 T CA 1.774 64.022 62.100 0.247 0.000 1.150 762 T CB -0.384 68.666 68.868 0.302 0.000 0.864 762 T HN 0.336 nan 8.240 nan 0.000 0.427 763 K N 1.368 121.867 120.400 0.165 0.000 2.362 763 K HA -0.035 4.295 4.320 0.016 0.000 0.200 763 K C 1.868 178.537 176.600 0.115 0.000 1.046 763 K CA 0.980 57.342 56.287 0.124 0.000 0.952 763 K CB -0.145 32.420 32.500 0.108 0.000 0.753 763 K HN 0.208 nan 8.250 nan 0.000 0.466 764 R N 0.413 120.995 120.500 0.137 0.000 2.335 764 R HA 0.036 4.386 4.340 0.016 0.000 0.223 764 R C 0.587 176.934 176.300 0.078 0.000 0.940 764 R CA 0.526 56.692 56.100 0.110 0.000 1.086 764 R CB 0.105 30.486 30.300 0.136 0.000 1.073 764 R HN 0.620 nan 8.270 nan 0.000 0.504 765 G N 0.898 109.746 108.800 0.081 0.000 2.162 765 G HA2 -0.269 3.700 3.960 0.016 0.000 0.260 765 G HA3 -0.269 3.700 3.960 0.016 0.000 0.260 765 G C 0.580 175.496 174.900 0.027 0.000 0.976 765 G CA 0.093 45.228 45.100 0.059 0.000 0.655 765 G HN 0.347 nan 8.290 nan 0.000 0.533 766 L N -1.055 120.173 121.223 0.008 0.000 2.607 766 L HA 0.666 5.016 4.340 0.016 0.000 0.228 766 L C 0.543 177.356 176.870 -0.096 0.000 1.123 766 L CA 0.023 54.804 54.840 -0.098 0.000 0.890 766 L CB 0.319 42.209 42.059 -0.281 0.000 1.103 766 L HN 0.291 nan 8.230 nan 0.000 0.468 767 L N -2.364 118.853 121.223 -0.009 0.000 2.710 767 L HA 0.417 4.767 4.340 0.016 0.000 0.260 767 L C -0.825 176.068 176.870 0.038 0.000 0.993 767 L CA -0.380 54.408 54.840 -0.085 0.000 0.877 767 L CB 1.184 43.167 42.059 -0.126 0.000 1.461 767 L HN -0.059 nan 8.230 nan 0.000 0.413 768 F N 2.025 122.012 119.950 0.061 0.000 3.100 768 F HA -0.267 4.270 4.527 0.015 0.000 0.284 768 F C 1.187 177.009 175.800 0.038 0.000 0.875 768 F CA 1.437 59.466 58.000 0.049 0.000 1.039 768 F CB -1.462 37.572 39.000 0.057 0.000 1.111 768 F HN 0.653 nan 8.300 nan 0.000 0.575 769 R N -1.841 118.755 120.500 0.159 0.000 3.641 769 R HA -0.176 4.174 4.340 0.016 0.000 0.286 769 R C 1.317 177.684 176.300 0.112 0.000 1.153 769 R CA 0.823 56.988 56.100 0.108 0.000 0.775 769 R CB -2.054 28.301 30.300 0.092 0.000 1.215 769 R HN 1.286 nan 8.270 nan 0.000 0.474 770 G N 0.532 109.413 108.800 0.135 0.000 2.233 770 G HA2 -0.418 3.552 3.960 0.016 0.000 0.270 770 G HA3 -0.418 3.552 3.960 0.016 0.000 0.270 770 G C 0.088 175.057 174.900 0.114 0.000 1.011 770 G CA 0.666 45.840 45.100 0.124 0.000 0.762 770 G HN 0.475 nan 8.290 nan 0.000 0.511 771 R N 0.298 120.875 120.500 0.129 0.000 2.198 771 R HA 0.459 4.809 4.340 0.016 0.000 0.339 771 R C 0.327 176.658 176.300 0.052 0.000 1.020 771 R CA -0.893 55.252 56.100 0.074 0.000 0.864 771 R CB 0.059 30.389 30.300 0.050 0.000 1.105 771 R HN 0.246 nan 8.270 nan 0.000 0.463 772 I N 4.658 125.249 120.570 0.036 0.000 2.270 772 I HA 0.007 4.187 4.170 0.016 0.000 0.300 772 I C 0.244 176.332 176.117 -0.048 0.000 1.186 772 I CA -0.038 61.270 61.300 0.013 0.000 1.431 772 I CB 0.360 38.384 38.000 0.040 0.000 1.485 772 I HN 0.571 nan 8.210 nan 0.000 0.650 773 S N 3.503 119.125 115.700 -0.130 0.000 2.817 773 S HA -0.163 4.316 4.470 0.016 0.000 0.333 773 S C 1.355 175.887 174.600 -0.113 0.000 1.227 773 S CA -0.053 58.046 58.200 -0.168 0.000 1.027 773 S CB 0.603 63.608 63.200 -0.325 0.000 0.732 773 S HN 0.688 nan 8.310 nan 0.000 0.499 774 E N 2.020 122.167 120.200 -0.090 0.000 2.204 774 E HA -0.185 4.175 4.350 0.016 0.000 0.195 774 E C 2.008 178.563 176.600 -0.075 0.000 0.990 774 E CA 1.046 57.406 56.400 -0.066 0.000 0.821 774 E CB 0.040 29.705 29.700 -0.059 0.000 0.750 774 E HN 0.563 nan 8.360 nan 0.000 0.477 775 R N -0.103 120.334 120.500 -0.106 0.000 2.115 775 R HA -0.028 4.321 4.340 0.016 0.000 0.226 775 R C 1.974 178.202 176.300 -0.120 0.000 1.100 775 R CA 0.804 56.831 56.100 -0.120 0.000 0.980 775 R CB -0.679 29.531 30.300 -0.150 0.000 0.875 775 R HN 0.298 nan 8.270 nan 0.000 0.445 776 L N 0.899 122.052 121.223 -0.117 0.000 2.261 776 L HA -0.097 4.253 4.340 0.016 0.000 0.216 776 L C 1.060 177.929 176.870 -0.003 0.000 1.114 776 L CA 1.848 56.655 54.840 -0.055 0.000 0.777 776 L CB -0.161 41.866 42.059 -0.053 0.000 0.910 776 L HN 0.143 nan 8.230 nan 0.000 0.440 777 K N -1.489 118.899 120.400 -0.020 0.000 2.404 777 K HA 0.125 4.454 4.320 0.016 0.000 0.194 777 K C 0.102 176.699 176.600 -0.005 0.000 1.023 777 K CA 0.040 56.328 56.287 0.001 0.000 1.094 777 K CB 0.062 32.559 32.500 -0.004 0.000 0.841 777 K HN 0.211 nan 8.250 nan 0.000 0.523 778 T N 2.313 116.852 114.554 -0.026 0.000 2.728 778 T HA 0.214 4.574 4.350 0.016 0.000 0.296 778 T C 0.017 174.707 174.700 -0.015 0.000 0.940 778 T CA -0.523 61.558 62.100 -0.032 0.000 1.013 778 T CB 0.710 69.541 68.868 -0.062 0.000 0.912 778 T HN 0.118 nan 8.240 nan 0.000 0.484 779 R N 1.680 122.183 120.500 0.006 0.000 2.640 779 R HA 0.345 4.695 4.340 0.016 0.000 0.270 779 R C 1.542 177.851 176.300 0.015 0.000 1.024 779 R CA 0.825 56.942 56.100 0.028 0.000 1.085 779 R CB -0.006 30.312 30.300 0.030 0.000 0.963 779 R HN 1.007 nan 8.270 nan 0.000 0.426 780 G N 2.133 110.958 108.800 0.040 0.000 2.176 780 G HA2 -0.312 3.657 3.960 0.016 0.000 0.253 780 G HA3 -0.312 3.657 3.960 0.016 0.000 0.253 780 G C 0.770 175.686 174.900 0.026 0.000 0.979 780 G CA 0.491 45.611 45.100 0.034 0.000 0.641 780 G HN 0.760 nan 8.290 nan 0.000 0.530 781 I N -3.075 117.466 120.570 -0.047 0.000 2.361 781 I HA 0.205 4.385 4.170 0.016 0.000 0.251 781 I C 1.298 177.336 176.117 -0.132 0.000 1.133 781 I CA 0.873 62.073 61.300 -0.167 0.000 1.413 781 I CB -0.281 37.483 38.000 -0.394 0.000 1.073 781 I HN 0.023 nan 8.210 nan 0.000 0.424 782 F N 3.293 123.323 119.950 0.132 0.000 2.541 782 F HA 0.359 4.895 4.527 0.015 0.000 0.351 782 F C 0.776 176.673 175.800 0.162 0.000 1.209 782 F CA -0.649 57.455 58.000 0.173 0.000 1.277 782 F CB -0.637 38.429 39.000 0.109 0.000 1.632 782 F HN 0.096 nan 8.300 nan 0.000 0.619 783 E N -0.038 120.365 120.200 0.337 0.000 2.391 783 E HA 0.061 4.421 4.350 0.016 0.000 0.255 783 E C 1.160 177.799 176.600 0.065 0.000 1.187 783 E CA -0.061 56.404 56.400 0.110 0.000 0.941 783 E CB 0.708 30.363 29.700 -0.075 0.000 1.010 783 E HN 0.325 nan 8.360 nan 0.000 0.458 784 T N 0.988 115.522 114.554 -0.033 0.000 2.867 784 T HA -0.161 4.199 4.350 0.016 0.000 0.268 784 T C 1.646 176.303 174.700 -0.072 0.000 1.057 784 T CA 1.474 63.558 62.100 -0.026 0.000 1.136 784 T CB -0.067 68.766 68.868 -0.058 0.000 0.874 784 T HN 0.470 nan 8.240 nan 0.000 0.466 785 K N 0.332 120.588 120.400 -0.239 0.000 2.211 785 K HA -0.040 4.290 4.320 0.016 0.000 0.203 785 K C 1.561 178.042 176.600 -0.199 0.000 1.050 785 K CA 1.270 57.379 56.287 -0.296 0.000 0.945 785 K CB -0.422 31.800 32.500 -0.463 0.000 0.732 785 K HN 0.264 nan 8.250 nan 0.000 0.451 786 F N 1.896 121.876 119.950 0.051 0.000 2.219 786 F HA 0.144 4.682 4.527 0.018 0.000 0.294 786 F C 2.202 178.057 175.800 0.092 0.000 1.086 786 F CA 0.092 58.137 58.000 0.075 0.000 1.330 786 F CB -0.766 38.302 39.000 0.113 0.000 1.047 786 F HN -0.160 nan 8.300 nan 0.000 0.495 787 L N -0.632 120.767 121.223 0.293 0.000 2.043 787 L HA -0.281 4.069 4.340 0.016 0.000 0.212 787 L C 2.466 179.394 176.870 0.096 0.000 1.075 787 L CA 1.561 56.524 54.840 0.204 0.000 0.752 787 L CB -0.853 41.326 42.059 0.200 0.000 0.891 787 L HN 0.112 nan 8.230 nan 0.000 0.432 788 S N -1.063 114.655 115.700 0.030 0.000 2.355 788 S HA -0.238 4.242 4.470 0.016 0.000 0.222 788 S C 1.883 176.366 174.600 -0.196 0.000 1.031 788 S CA 1.096 59.177 58.200 -0.199 0.000 0.993 788 S CB -0.219 62.907 63.200 -0.122 0.000 0.859 788 S HN 0.396 nan 8.310 nan 0.000 0.453 789 Q N 0.512 120.283 119.800 -0.048 0.000 2.030 789 Q HA -0.099 4.250 4.340 0.016 0.000 0.204 789 Q C 2.141 178.135 176.000 -0.009 0.000 0.986 789 Q CA 1.406 57.202 55.803 -0.012 0.000 0.843 789 Q CB -0.297 28.496 28.738 0.093 0.000 0.904 789 Q HN 0.468 nan 8.270 nan 0.000 0.420 790 I N 0.544 121.141 120.570 0.044 0.000 2.315 790 I HA -0.273 3.907 4.170 0.016 0.000 0.251 790 I C 1.976 178.094 176.117 0.002 0.000 1.125 790 I CA 1.307 62.634 61.300 0.045 0.000 1.392 790 I CB -0.015 38.040 38.000 0.091 0.000 1.065 790 I HN 0.284 nan 8.210 nan 0.000 0.424 791 E N -0.017 120.146 120.200 -0.061 0.000 2.474 791 E HA 0.062 4.422 4.350 0.016 0.000 0.195 791 E C 0.231 176.774 176.600 -0.095 0.000 1.039 791 E CA -0.139 56.225 56.400 -0.059 0.000 0.881 791 E CB 0.403 30.036 29.700 -0.112 0.000 0.970 791 E HN 0.317 nan 8.360 nan 0.000 0.486 792 S N 1.826 117.453 115.700 -0.122 0.000 2.549 792 S HA -0.021 4.458 4.470 0.016 0.000 0.286 792 S C 0.412 175.004 174.600 -0.013 0.000 1.314 792 S CA -0.353 57.780 58.200 -0.111 0.000 1.062 792 S CB 0.836 63.982 63.200 -0.090 0.000 0.865 792 S HN 0.200 nan 8.310 nan 0.000 0.498 793 D N 1.422 121.839 120.400 0.029 0.000 2.350 793 D HA -0.040 4.609 4.640 0.016 0.000 0.216 793 D C 1.208 177.520 176.300 0.019 0.000 0.968 793 D CA 0.586 54.620 54.000 0.056 0.000 0.894 793 D CB -0.190 40.664 40.800 0.090 0.000 0.909 793 D HN 0.561 nan 8.370 nan 0.000 0.520 794 C N 0.246 119.546 119.300 -0.001 0.000 2.514 794 C HA 0.144 4.613 4.460 0.016 0.000 0.271 794 C C 1.277 176.264 174.990 -0.006 0.000 1.399 794 C CA -0.529 58.486 59.018 -0.006 0.000 1.765 794 C CB -0.643 27.088 27.740 -0.014 0.000 1.893 794 C HN 0.198 nan 8.230 nan 0.000 0.531 795 L N 1.612 122.832 121.223 -0.005 0.000 2.305 795 L HA 0.458 4.808 4.340 0.016 0.000 0.281 795 L C 0.760 177.630 176.870 -0.001 0.000 1.085 795 L CA -0.231 54.606 54.840 -0.005 0.000 0.813 795 L CB 0.507 42.563 42.059 -0.005 0.000 1.157 795 L HN 0.197 nan 8.230 nan 0.000 0.436 796 A N 2.622 125.441 122.820 -0.003 0.000 2.310 796 A HA 0.169 4.499 4.320 0.016 0.000 0.260 796 A C 0.763 178.348 177.584 0.001 0.000 1.112 796 A CA -0.309 51.727 52.037 -0.001 0.000 0.804 796 A CB 0.334 19.332 19.000 -0.004 0.000 1.081 796 A HN 0.757 nan 8.150 nan 0.000 0.499 797 L N -0.154 121.071 121.223 0.002 0.000 2.179 797 L HA 0.043 4.393 4.340 0.016 0.000 0.208 797 L C 1.972 178.846 176.870 0.006 0.000 1.096 797 L CA 1.363 56.207 54.840 0.006 0.000 0.779 797 L CB -0.450 41.613 42.059 0.006 0.000 0.922 797 L HN 0.714 nan 8.230 nan 0.000 0.443 798 L N -1.142 120.082 121.223 0.002 0.000 2.201 798 L HA -0.179 4.170 4.340 0.016 0.000 0.212 798 L C 2.454 179.324 176.870 -0.001 0.000 1.105 798 L CA 0.957 55.797 54.840 0.000 0.000 0.775 798 L CB -0.273 41.783 42.059 -0.005 0.000 0.913 798 L HN 0.395 nan 8.230 nan 0.000 0.440 799 Q N -1.019 118.779 119.800 -0.003 0.000 2.049 799 Q HA -0.147 4.202 4.340 0.016 0.000 0.198 799 Q C 2.346 178.344 176.000 -0.004 0.000 0.971 799 Q CA 1.277 57.075 55.803 -0.009 0.000 0.833 799 Q CB -0.087 28.645 28.738 -0.012 0.000 0.896 799 Q HN 0.307 nan 8.270 nan 0.000 0.434 800 V N 1.320 121.238 119.914 0.007 0.000 2.252 800 V HA -0.344 3.785 4.120 0.016 0.000 0.249 800 V C 2.393 178.504 176.094 0.028 0.000 1.056 800 V CA 2.301 64.613 62.300 0.020 0.000 1.022 800 V CB -0.694 31.143 31.823 0.024 0.000 0.641 800 V HN 0.371 nan 8.190 nan 0.000 0.445 801 R N 0.380 120.897 120.500 0.027 0.000 2.096 801 R HA -0.223 4.126 4.340 0.016 0.000 0.240 801 R C 2.285 178.602 176.300 0.029 0.000 1.139 801 R CA 1.978 58.100 56.100 0.037 0.000 0.952 801 R CB -0.558 29.759 30.300 0.029 0.000 0.854 801 R HN 0.479 nan 8.270 nan 0.000 0.436 802 A N 1.122 123.948 122.820 0.011 0.000 1.940 802 A HA -0.159 4.171 4.320 0.016 0.000 0.219 802 A C 2.199 179.779 177.584 -0.006 0.000 1.176 802 A CA 1.615 53.654 52.037 0.002 0.000 0.631 802 A CB -0.539 18.450 19.000 -0.017 0.000 0.814 802 A HN 0.431 nan 8.150 nan 0.000 0.446 803 I N -0.526 120.031 120.570 -0.023 0.000 2.286 803 I HA -0.253 3.926 4.170 0.016 0.000 0.248 803 I C 2.242 178.328 176.117 -0.052 0.000 1.115 803 I CA 1.053 62.324 61.300 -0.049 0.000 1.392 803 I CB -0.219 37.771 38.000 -0.016 0.000 1.065 803 I HN 0.309 nan 8.210 nan 0.000 0.418 804 L N -0.286 120.938 121.223 0.001 0.000 2.179 804 L HA -0.155 4.195 4.340 0.016 0.000 0.208 804 L C 2.491 179.350 176.870 -0.017 0.000 1.096 804 L CA 1.048 55.896 54.840 0.014 0.000 0.779 804 L CB -0.428 41.696 42.059 0.108 0.000 0.922 804 L HN 0.299 nan 8.230 nan 0.000 0.443 805 Q N -1.294 118.511 119.800 0.009 0.000 2.245 805 Q HA -0.152 4.198 4.340 0.016 0.000 0.201 805 Q C 2.014 178.005 176.000 -0.016 0.000 0.955 805 Q CA 0.693 56.494 55.803 -0.005 0.000 0.870 805 Q CB -0.059 28.688 28.738 0.016 0.000 0.945 805 Q HN 0.575 nan 8.270 nan 0.000 0.461 806 H N 0.221 119.219 119.070 -0.120 0.000 2.353 806 H HA -0.099 4.466 4.556 0.016 0.000 0.300 806 H C 2.138 177.325 175.328 -0.235 0.000 1.090 806 H CA 1.155 57.109 56.048 -0.155 0.000 1.327 806 H CB 0.320 29.985 29.762 -0.162 0.000 1.383 806 H HN 0.113 nan 8.280 nan 0.000 0.508 807 L N -0.670 120.416 121.223 -0.228 0.000 2.191 807 L HA -0.079 4.271 4.340 0.016 0.000 0.212 807 L C 1.930 178.645 176.870 -0.259 0.000 1.103 807 L CA 1.210 55.833 54.840 -0.362 0.000 0.769 807 L CB -0.971 40.827 42.059 -0.436 0.000 0.908 807 L HN 0.855 nan 8.230 nan 0.000 0.438 808 G N -1.199 107.486 108.800 -0.192 0.000 2.151 808 G HA2 -0.156 3.814 3.960 0.016 0.000 0.156 808 G HA3 -0.156 3.814 3.960 0.016 0.000 0.156 808 G C -0.218 174.587 174.900 -0.158 0.000 1.017 808 G CA -0.205 44.796 45.100 -0.165 0.000 0.686 808 G HN 0.395 nan 8.290 nan 0.000 0.503 809 L N 0.981 122.122 121.223 -0.138 0.000 2.319 809 L HA 0.727 5.077 4.340 0.016 0.000 0.281 809 L C 0.716 177.543 176.870 -0.071 0.000 1.005 809 L CA -0.420 54.328 54.840 -0.154 0.000 0.828 809 L CB 1.462 43.464 42.059 -0.095 0.000 1.227 809 L HN 0.336 nan 8.230 nan 0.000 0.415 810 E N 2.512 122.651 120.200 -0.102 0.000 2.265 810 E HA 0.475 4.835 4.350 0.016 0.000 0.272 810 E C -0.451 176.224 176.600 0.125 0.000 1.067 810 E CA -0.187 56.209 56.400 -0.007 0.000 0.900 810 E CB 0.815 30.498 29.700 -0.029 0.000 1.017 810 E HN 0.567 nan 8.360 nan 0.000 0.431 811 S N 1.234 117.032 115.700 0.163 0.000 2.538 811 S HA 0.658 5.138 4.470 0.016 0.000 0.288 811 S C 0.273 174.948 174.600 0.125 0.000 1.108 811 S CA -0.295 58.052 58.200 0.245 0.000 0.971 811 S CB 1.760 65.107 63.200 0.245 0.000 1.041 811 S HN 0.928 nan 8.310 nan 0.000 0.483 812 T N -1.350 113.265 114.554 0.100 0.000 2.816 812 T HA 0.229 4.588 4.350 0.016 0.000 0.282 812 T C 1.403 176.121 174.700 0.030 0.000 0.993 812 T CA -0.496 61.632 62.100 0.046 0.000 0.994 812 T CB 0.338 69.224 68.868 0.030 0.000 1.025 812 T HN 0.583 nan 8.240 nan 0.000 0.529 813 C N 0.653 119.963 119.300 0.017 0.000 2.425 813 C HA -0.058 4.411 4.460 0.016 0.000 0.277 813 C C 2.610 177.601 174.990 0.003 0.000 1.280 813 C CA 0.852 59.878 59.018 0.012 0.000 1.744 813 C CB -1.310 26.436 27.740 0.010 0.000 1.989 813 C HN 0.911 nan 8.230 nan 0.000 0.491 814 D N 0.756 121.155 120.400 -0.001 0.000 2.144 814 D HA -0.111 4.538 4.640 0.016 0.000 0.199 814 D C 1.736 178.006 176.300 -0.050 0.000 0.984 814 D CA 1.247 55.236 54.000 -0.019 0.000 0.834 814 D CB -0.545 40.246 40.800 -0.014 0.000 0.955 814 D HN 0.498 nan 8.370 nan 0.000 0.465 815 D N 0.019 120.378 120.400 -0.068 0.000 2.123 815 D HA -0.088 4.562 4.640 0.016 0.000 0.196 815 D C 2.068 178.301 176.300 -0.112 0.000 0.992 815 D CA 0.822 54.723 54.000 -0.166 0.000 0.833 815 D CB -0.186 40.511 40.800 -0.172 0.000 0.954 815 D HN 0.063 nan 8.370 nan 0.000 0.455 816 S N 0.314 115.998 115.700 -0.028 0.000 2.402 816 S HA -0.040 4.440 4.470 0.016 0.000 0.229 816 S C 2.207 176.806 174.600 -0.002 0.000 1.021 816 S CA 0.231 58.435 58.200 0.007 0.000 0.974 816 S CB -0.020 63.196 63.200 0.027 0.000 0.800 816 S HN 0.271 nan 8.310 nan 0.000 0.484 817 I N 1.268 121.832 120.570 -0.011 0.000 2.208 817 I HA -0.216 3.964 4.170 0.016 0.000 0.245 817 I C 1.943 178.059 176.117 -0.003 0.000 1.097 817 I CA 1.355 62.651 61.300 -0.006 0.000 1.363 817 I CB -0.355 37.637 38.000 -0.013 0.000 1.051 817 I HN 0.266 nan 8.210 nan 0.000 0.413 818 I N -0.463 120.095 120.570 -0.020 0.000 2.286 818 I HA -0.198 3.982 4.170 0.016 0.000 0.245 818 I C 2.429 178.547 176.117 0.002 0.000 1.104 818 I CA 0.834 62.133 61.300 -0.002 0.000 1.397 818 I CB -0.256 37.724 38.000 -0.032 0.000 1.072 818 I HN -0.021 nan 8.210 nan 0.000 0.417 819 V N 1.120 121.017 119.914 -0.028 0.000 2.261 819 V HA -0.314 3.816 4.120 0.016 0.000 0.246 819 V C 2.536 178.614 176.094 -0.026 0.000 1.047 819 V CA 2.049 64.332 62.300 -0.029 0.000 1.015 819 V CB -0.717 31.120 31.823 0.022 0.000 0.642 819 V HN 0.413 nan 8.190 nan 0.000 0.446 820 K N 0.105 120.507 120.400 0.003 0.000 2.113 820 K HA -0.304 4.025 4.320 0.016 0.000 0.208 820 K C 2.126 178.735 176.600 0.015 0.000 1.047 820 K CA 2.204 58.500 56.287 0.015 0.000 0.928 820 K CB -0.116 32.399 32.500 0.024 0.000 0.716 820 K HN 0.452 nan 8.250 nan 0.000 0.446 821 E N 0.256 120.464 120.200 0.014 0.000 2.046 821 E HA -0.106 4.253 4.350 0.016 0.000 0.190 821 E C 1.804 178.409 176.600 0.008 0.000 0.982 821 E CA 1.351 57.764 56.400 0.022 0.000 0.800 821 E CB -0.172 29.549 29.700 0.035 0.000 0.756 821 E HN 0.150 nan 8.360 nan 0.000 0.449 822 V N 0.200 120.107 119.914 -0.011 0.000 2.287 822 V HA -0.374 3.756 4.120 0.016 0.000 0.248 822 V C 2.585 178.625 176.094 -0.089 0.000 1.053 822 V CA 1.917 64.174 62.300 -0.072 0.000 1.027 822 V CB -0.728 31.005 31.823 -0.150 0.000 0.646 822 V HN 0.464 nan 8.190 nan 0.000 0.447 823 C N -0.374 118.874 119.300 -0.087 0.000 2.413 823 C HA -0.169 4.300 4.460 0.016 0.000 0.276 823 C C 2.979 177.989 174.990 0.033 0.000 1.248 823 C CA 1.662 60.650 59.018 -0.049 0.000 1.742 823 C CB -1.383 26.343 27.740 -0.023 0.000 2.017 823 C HN 0.643 nan 8.230 nan 0.000 0.481 824 T N 0.788 115.370 114.554 0.047 0.000 2.708 824 T HA -0.141 4.219 4.350 0.016 0.000 0.266 824 T C 1.869 176.599 174.700 0.051 0.000 1.037 824 T CA 1.614 63.766 62.100 0.087 0.000 1.146 824 T CB -0.349 68.562 68.868 0.071 0.000 0.865 824 T HN 0.351 nan 8.240 nan 0.000 0.435 825 V N 1.243 121.167 119.914 0.017 0.000 2.332 825 V HA -0.149 3.980 4.120 0.016 0.000 0.248 825 V C 2.618 178.709 176.094 -0.005 0.000 1.055 825 V CA 1.368 63.669 62.300 0.002 0.000 1.038 825 V CB -0.590 31.232 31.823 -0.000 0.000 0.651 825 V HN 0.319 nan 8.190 nan 0.000 0.450 826 V N 0.000 119.907 119.914 -0.013 0.000 2.379 826 V HA -0.157 3.973 4.120 0.016 0.000 0.245 826 V C 2.620 178.715 176.094 0.001 0.000 1.044 826 V CA 1.835 64.126 62.300 -0.014 0.000 1.036 826 V CB -0.938 30.862 31.823 -0.040 0.000 0.664 826 V HN 0.549 nan 8.190 nan 0.000 0.453 827 A N -0.135 122.696 122.820 0.019 0.000 1.969 827 A HA -0.192 4.138 4.320 0.016 0.000 0.218 827 A C 2.377 179.939 177.584 -0.038 0.000 1.169 827 A CA 1.744 53.781 52.037 -0.000 0.000 0.635 827 A CB -0.489 18.493 19.000 -0.029 0.000 0.810 827 A HN 0.479 nan 8.150 nan 0.000 0.445 828 R N -0.511 119.974 120.500 -0.025 0.000 2.066 828 R HA -0.082 4.268 4.340 0.016 0.000 0.232 828 R C 2.434 178.670 176.300 -0.107 0.000 1.131 828 R CA 1.424 57.481 56.100 -0.072 0.000 0.955 828 R CB -0.297 29.980 30.300 -0.040 0.000 0.851 828 R HN 0.501 nan 8.270 nan 0.000 0.432 829 R N 0.039 120.499 120.500 -0.068 0.000 2.091 829 R HA -0.154 4.196 4.340 0.016 0.000 0.238 829 R C 2.090 178.330 176.300 -0.100 0.000 1.136 829 R CA 1.635 57.691 56.100 -0.074 0.000 0.959 829 R CB -0.307 29.972 30.300 -0.035 0.000 0.856 829 R HN 0.330 nan 8.270 nan 0.000 0.437 830 A N 0.755 123.537 122.820 -0.065 0.000 1.858 830 A HA -0.150 4.180 4.320 0.016 0.000 0.216 830 A C 2.385 179.900 177.584 -0.115 0.000 1.190 830 A CA 1.849 53.879 52.037 -0.013 0.000 0.617 830 A CB -1.003 18.081 19.000 0.140 0.000 0.827 830 A HN 0.528 nan 8.150 nan 0.000 0.443 831 A N -0.901 121.654 122.820 -0.442 0.000 1.917 831 A HA -0.291 4.039 4.320 0.016 0.000 0.219 831 A C 2.157 179.434 177.584 -0.510 0.000 1.182 831 A CA 1.974 53.356 52.037 -1.093 0.000 0.633 831 A CB -0.658 17.725 19.000 -1.028 0.000 0.819 831 A HN 0.688 nan 8.150 nan 0.000 0.448 832 Q N -0.877 118.742 119.800 -0.302 0.000 2.123 832 Q HA 0.017 4.367 4.340 0.016 0.000 0.199 832 Q C 2.119 178.034 176.000 -0.142 0.000 0.966 832 Q CA 1.078 56.767 55.803 -0.191 0.000 0.845 832 Q CB -0.211 28.440 28.738 -0.146 0.000 0.907 832 Q HN 0.698 nan 8.270 nan 0.000 0.439 833 L N -0.251 120.888 121.223 -0.140 0.000 2.093 833 L HA -0.206 4.144 4.340 0.016 0.000 0.208 833 L C 2.661 179.497 176.870 -0.058 0.000 1.085 833 L CA 0.586 55.379 54.840 -0.079 0.000 0.755 833 L CB -0.454 41.529 42.059 -0.125 0.000 0.904 833 L HN 0.398 nan 8.230 nan 0.000 0.435 834 C N 0.281 119.508 119.300 -0.121 0.000 2.425 834 C HA -0.075 4.394 4.460 0.016 0.000 0.277 834 C C 2.839 177.876 174.990 0.078 0.000 1.280 834 C CA 0.932 59.944 59.018 -0.010 0.000 1.744 834 C CB -1.201 26.632 27.740 0.154 0.000 1.989 834 C HN 0.647 nan 8.230 nan 0.000 0.491 835 G N -0.111 108.687 108.800 -0.004 0.000 2.402 835 G HA2 0.033 4.003 3.960 0.016 0.000 0.216 835 G HA3 0.033 4.003 3.960 0.016 0.000 0.216 835 G C 1.986 176.910 174.900 0.041 0.000 1.162 835 G CA 0.962 46.084 45.100 0.038 0.000 0.777 835 G HN 0.697 nan 8.290 nan 0.000 0.539 836 A N 0.962 123.775 122.820 -0.012 0.000 1.908 836 A HA 0.106 4.436 4.320 0.016 0.000 0.218 836 A C 2.683 180.254 177.584 -0.021 0.000 1.181 836 A CA 2.217 54.234 52.037 -0.033 0.000 0.627 836 A CB -1.091 17.872 19.000 -0.062 0.000 0.818 836 A HN 0.518 nan 8.150 nan 0.000 0.445 837 G N -0.977 107.810 108.800 -0.022 0.000 2.421 837 G HA2 -0.200 3.770 3.960 0.016 0.000 0.216 837 G HA3 -0.200 3.770 3.960 0.016 0.000 0.216 837 G C 1.525 176.547 174.900 0.204 0.000 1.171 837 G CA 1.511 46.561 45.100 -0.084 0.000 0.775 837 G HN 0.424 nan 8.290 nan 0.000 0.543 838 M N 1.529 121.328 119.600 0.332 0.000 2.175 838 M HA 0.233 4.722 4.480 0.016 0.000 0.264 838 M C 2.684 179.076 176.300 0.152 0.000 1.063 838 M CA 1.318 56.819 55.300 0.335 0.000 1.119 838 M CB -0.537 32.312 32.600 0.415 0.000 1.377 838 M HN 0.242 nan 8.290 nan 0.000 0.415 839 A N -0.190 122.697 122.820 0.111 0.000 1.917 839 A HA -0.105 4.224 4.320 0.016 0.000 0.219 839 A C 2.379 179.959 177.584 -0.006 0.000 1.182 839 A CA 2.349 54.414 52.037 0.045 0.000 0.633 839 A CB -1.479 17.536 19.000 0.025 0.000 0.819 839 A HN 0.629 nan 8.150 nan 0.000 0.448 840 A N -0.812 121.995 122.820 -0.021 0.000 1.902 840 A HA -0.001 4.328 4.320 0.016 0.000 0.217 840 A C 2.259 179.778 177.584 -0.108 0.000 1.181 840 A CA 1.842 53.838 52.037 -0.068 0.000 0.623 840 A CB -0.929 18.011 19.000 -0.100 0.000 0.818 840 A HN 0.415 nan 8.150 nan 0.000 0.443 841 V N 0.246 120.092 119.914 -0.113 0.000 2.307 841 V HA -0.231 3.899 4.120 0.016 0.000 0.245 841 V C 2.766 178.682 176.094 -0.298 0.000 1.045 841 V CA 2.023 64.143 62.300 -0.301 0.000 1.024 841 V CB -0.757 30.910 31.823 -0.261 0.000 0.651 841 V HN 0.595 nan 8.190 nan 0.000 0.449 842 V N -1.819 118.004 119.914 -0.152 0.000 2.323 842 V HA -0.177 3.952 4.120 0.016 0.000 0.244 842 V C 2.157 178.194 176.094 -0.095 0.000 1.041 842 V CA 2.216 64.444 62.300 -0.120 0.000 1.025 842 V CB -0.974 30.803 31.823 -0.077 0.000 0.656 842 V HN 0.408 nan 8.190 nan 0.000 0.451 843 D N 0.501 120.857 120.400 -0.073 0.000 2.158 843 D HA -0.199 4.450 4.640 0.016 0.000 0.197 843 D C 2.237 178.500 176.300 -0.062 0.000 0.995 843 D CA 1.908 55.875 54.000 -0.055 0.000 0.846 843 D CB -0.245 40.530 40.800 -0.041 0.000 0.941 843 D HN 0.543 nan 8.370 nan 0.000 0.456 844 R N 0.521 120.963 120.500 -0.097 0.000 2.070 844 R HA -0.022 4.328 4.340 0.016 0.000 0.233 844 R C 2.314 178.580 176.300 -0.056 0.000 1.137 844 R CA 1.070 57.116 56.100 -0.089 0.000 0.945 844 R CB -0.682 29.522 30.300 -0.161 0.000 0.845 844 R HN 0.162 nan 8.270 nan 0.000 0.430 845 I N 0.448 120.967 120.570 -0.086 0.000 2.264 845 I HA -0.308 3.871 4.170 0.016 0.000 0.248 845 I C 2.746 178.857 176.117 -0.010 0.000 1.111 845 I CA 1.542 62.834 61.300 -0.013 0.000 1.382 845 I CB -0.337 37.651 38.000 -0.021 0.000 1.060 845 I HN 0.301 nan 8.210 nan 0.000 0.418 846 R N 1.242 121.724 120.500 -0.029 0.000 2.070 846 R HA -0.174 4.176 4.340 0.016 0.000 0.227 846 R C 2.189 178.482 176.300 -0.013 0.000 1.147 846 R CA 1.722 57.809 56.100 -0.022 0.000 0.924 846 R CB -0.224 30.058 30.300 -0.029 0.000 0.827 846 R HN 0.282 nan 8.270 nan 0.000 0.431 847 E N 0.266 120.457 120.200 -0.015 0.000 2.169 847 E HA -0.235 4.124 4.350 0.016 0.000 0.202 847 E C 1.725 178.325 176.600 -0.000 0.000 1.016 847 E CA 1.508 57.904 56.400 -0.008 0.000 0.817 847 E CB -0.181 29.513 29.700 -0.010 0.000 0.736 847 E HN 0.395 nan 8.360 nan 0.000 0.462 848 N N 0.357 119.061 118.700 0.006 0.000 2.364 848 N HA -0.105 4.645 4.740 0.016 0.000 0.183 848 N C 0.869 176.386 175.510 0.011 0.000 1.022 848 N CA 0.907 53.967 53.050 0.016 0.000 0.883 848 N CB 0.057 38.567 38.487 0.038 0.000 0.965 848 N HN 0.171 nan 8.380 nan 0.000 0.438 849 R N -0.637 119.867 120.500 0.006 0.000 2.577 849 R HA 0.232 4.581 4.340 0.016 0.000 0.344 849 R C 0.649 176.948 176.300 -0.001 0.000 1.037 849 R CA 0.084 56.187 56.100 0.004 0.000 1.102 849 R CB 0.393 30.695 30.300 0.004 0.000 1.313 849 R HN -0.014 nan 8.270 nan 0.000 0.561 850 G N 2.083 110.883 108.800 -0.001 0.000 2.416 850 G HA2 -0.298 3.671 3.960 0.016 0.000 0.301 850 G HA3 -0.298 3.671 3.960 0.016 0.000 0.301 850 G C 0.136 175.033 174.900 -0.005 0.000 0.985 850 G CA 0.479 45.577 45.100 -0.003 0.000 0.934 850 G HN 0.218 nan 8.290 nan 0.000 0.513 851 L N -1.002 120.216 121.223 -0.008 0.000 2.421 851 L HA 0.419 4.768 4.340 0.016 0.000 0.263 851 L C 1.283 178.146 176.870 -0.012 0.000 1.122 851 L CA -0.532 54.302 54.840 -0.011 0.000 0.804 851 L CB 0.973 43.023 42.059 -0.015 0.000 1.150 851 L HN 0.071 nan 8.230 nan 0.000 0.457 852 D N 0.186 120.578 120.400 -0.013 0.000 2.417 852 D HA 0.254 4.904 4.640 0.016 0.000 0.207 852 D C -0.319 175.972 176.300 -0.016 0.000 1.075 852 D CA 0.240 54.233 54.000 -0.012 0.000 0.851 852 D CB 0.771 41.565 40.800 -0.010 0.000 0.976 852 D HN 0.498 nan 8.370 nan 0.000 0.505 853 A N 0.416 123.223 122.820 -0.021 0.000 2.459 853 A HA 0.592 4.922 4.320 0.016 0.000 0.296 853 A C -1.862 175.699 177.584 -0.039 0.000 1.039 853 A CA -0.631 51.389 52.037 -0.028 0.000 0.698 853 A CB 1.305 20.287 19.000 -0.029 0.000 1.261 853 A HN 0.100 nan 8.150 nan 0.000 0.405 854 L N 1.586 122.782 121.223 -0.046 0.000 2.365 854 L HA 0.717 5.067 4.340 0.016 0.000 0.273 854 L C -0.300 176.520 176.870 -0.084 0.000 1.000 854 L CA -0.297 54.506 54.840 -0.061 0.000 0.819 854 L CB 1.724 43.751 42.059 -0.053 0.000 1.284 854 L HN 0.686 nan 8.230 nan 0.000 0.418 855 K N 4.619 124.948 120.400 -0.119 0.000 2.358 855 K HA 0.750 5.080 4.320 0.016 0.000 0.260 855 K C -2.131 174.361 176.600 -0.180 0.000 0.956 855 K CA -0.574 55.613 56.287 -0.166 0.000 0.834 855 K CB 1.809 34.170 32.500 -0.232 0.000 1.102 855 K HN 0.553 nan 8.250 nan 0.000 0.431 856 V N 3.064 122.887 119.914 -0.152 0.000 2.969 856 V HA 0.391 4.520 4.120 0.016 0.000 0.304 856 V C -1.353 174.648 176.094 -0.155 0.000 1.192 856 V CA -0.359 61.870 62.300 -0.118 0.000 0.962 856 V CB 2.565 34.323 31.823 -0.110 0.000 1.045 856 V HN 0.933 nan 8.190 nan 0.000 0.428 857 T N 4.999 119.491 114.554 -0.103 0.000 2.902 857 T HA 0.694 5.054 4.350 0.016 0.000 0.283 857 T C -0.685 173.902 174.700 -0.190 0.000 1.009 857 T CA -0.362 61.648 62.100 -0.150 0.000 1.051 857 T CB 1.636 70.479 68.868 -0.041 0.000 0.999 857 T HN 0.565 nan 8.240 nan 0.000 0.474 858 V N 1.921 121.663 119.914 -0.287 0.000 2.448 858 V HA 0.666 4.796 4.120 0.016 0.000 0.295 858 V C 0.638 176.681 176.094 -0.085 0.000 1.025 858 V CA -0.875 61.295 62.300 -0.217 0.000 0.859 858 V CB 1.800 33.394 31.823 -0.383 0.000 0.988 858 V HN 1.049 nan 8.190 nan 0.000 0.431 859 G N 3.603 112.377 108.800 -0.044 0.000 2.325 859 G HA2 0.582 4.552 3.960 0.016 0.000 0.298 859 G HA3 0.582 4.552 3.960 0.016 0.000 0.298 859 G C -0.869 174.009 174.900 -0.037 0.000 1.134 859 G CA -0.248 44.843 45.100 -0.015 0.000 0.876 859 G HN 0.580 nan 8.290 nan 0.000 0.452 860 V N 2.538 122.423 119.914 -0.049 0.000 2.735 860 V HA 0.625 4.755 4.120 0.016 0.000 0.310 860 V C -0.801 175.221 176.094 -0.121 0.000 1.061 860 V CA -0.822 61.375 62.300 -0.171 0.000 0.913 860 V CB 2.067 33.597 31.823 -0.488 0.000 1.005 860 V HN 0.769 nan 8.190 nan 0.000 0.428 861 D N 0.808 121.136 120.400 -0.120 0.000 2.626 861 D HA 0.785 5.435 4.640 0.016 0.000 0.278 861 D C -0.355 175.926 176.300 -0.032 0.000 1.211 861 D CA 0.704 54.683 54.000 -0.035 0.000 0.903 861 D CB 2.472 43.257 40.800 -0.024 0.000 1.408 861 D HN 1.127 nan 8.370 nan 0.000 0.454 862 G N -0.732 108.071 108.800 0.005 0.000 2.627 862 G HA2 0.055 4.025 3.960 0.016 0.000 0.680 862 G HA3 0.055 4.025 3.960 0.016 0.000 0.680 862 G C 0.576 175.486 174.900 0.016 0.000 1.341 862 G CA 0.313 45.409 45.100 -0.007 0.000 0.835 862 G HN 0.519 nan 8.290 nan 0.000 0.643 863 T N 0.112 114.654 114.554 -0.019 0.000 2.995 863 T HA 0.010 4.369 4.350 0.016 0.000 0.269 863 T C 2.396 177.067 174.700 -0.048 0.000 1.091 863 T CA 1.796 63.880 62.100 -0.027 0.000 1.128 863 T CB 0.028 68.870 68.868 -0.045 0.000 0.891 863 T HN 1.009 nan 8.240 nan 0.000 0.492 864 L N 0.013 121.180 121.223 -0.092 0.000 2.044 864 L HA 0.149 4.498 4.340 0.016 0.000 0.205 864 L C 2.337 179.087 176.870 -0.199 0.000 1.075 864 L CA 1.435 56.172 54.840 -0.172 0.000 0.747 864 L CB -1.042 40.833 42.059 -0.306 0.000 0.903 864 L HN 0.252 nan 8.230 nan 0.000 0.435 865 Y N 1.309 121.416 120.300 -0.322 0.000 2.151 865 Y HA -0.319 4.239 4.550 0.012 0.000 0.284 865 Y C 2.335 178.212 175.900 -0.040 0.000 1.166 865 Y CA 2.607 60.591 58.100 -0.194 0.000 1.163 865 Y CB -0.154 38.255 38.460 -0.083 0.000 0.974 865 Y HN 0.410 nan 8.280 nan 0.000 0.511 866 K N -1.183 119.243 120.400 0.044 0.000 2.379 866 K HA 0.088 4.417 4.320 0.016 0.000 0.194 866 K C 1.626 178.199 176.600 -0.045 0.000 1.031 866 K CA 0.875 57.162 56.287 -0.001 0.000 1.037 866 K CB -0.030 32.521 32.500 0.086 0.000 0.824 866 K HN 0.364 nan 8.250 nan 0.000 0.516 867 L N 0.322 121.518 121.223 -0.044 0.000 2.316 867 L HA 0.106 4.456 4.340 0.016 0.000 0.207 867 L C 1.240 178.074 176.870 -0.059 0.000 1.070 867 L CA -0.024 54.785 54.840 -0.052 0.000 0.820 867 L CB -0.101 41.926 42.059 -0.054 0.000 0.992 867 L HN 0.349 nan 8.230 nan 0.000 0.466 868 H N 2.261 121.253 119.070 -0.130 0.000 2.764 868 H HA 0.041 4.606 4.556 0.015 0.000 0.341 868 H C -1.611 173.616 175.328 -0.168 0.000 1.072 868 H CA -1.202 54.772 56.048 -0.123 0.000 1.444 868 H CB 1.790 31.512 29.762 -0.066 0.000 1.458 868 H HN -0.036 nan 8.280 nan 0.000 0.572 869 P HA -0.049 nan 4.420 nan 0.000 0.222 869 P C 0.223 177.370 177.300 -0.256 0.000 1.153 869 P CA 1.443 64.284 63.100 -0.432 0.000 0.798 869 P CB 0.445 31.705 31.700 -0.734 0.000 0.796 870 H N -4.155 115.050 119.070 0.224 0.000 3.255 870 H HA 0.224 4.790 4.556 0.016 0.000 0.256 870 H C 1.540 176.909 175.328 0.067 0.000 1.049 870 H CA -0.445 55.684 56.048 0.135 0.000 1.202 870 H CB -0.273 29.564 29.762 0.124 0.000 1.497 870 H HN -0.090 nan 8.280 nan 0.000 0.503 871 F N 2.629 122.632 119.950 0.088 0.000 2.043 871 F HA -0.305 4.231 4.527 0.015 0.000 0.297 871 F C 2.520 178.164 175.800 -0.260 0.000 1.121 871 F CA 1.711 59.605 58.000 -0.176 0.000 1.199 871 F CB -0.309 38.520 39.000 -0.286 0.000 0.968 871 F HN 0.164 nan 8.300 nan 0.000 0.478 872 A N 0.060 122.799 122.820 -0.135 0.000 1.869 872 A HA -0.318 4.012 4.320 0.016 0.000 0.218 872 A C 2.206 179.276 177.584 -0.856 0.000 1.203 872 A CA 2.759 54.440 52.037 -0.593 0.000 0.638 872 A CB -1.440 17.096 19.000 -0.774 0.000 0.831 872 A HN 0.352 nan 8.150 nan 0.000 0.450 873 K N -0.893 119.225 120.400 -0.470 0.000 2.009 873 K HA -0.125 4.205 4.320 0.016 0.000 0.210 873 K C 2.050 178.498 176.600 -0.253 0.000 1.049 873 K CA 1.804 57.913 56.287 -0.297 0.000 0.929 873 K CB -1.237 31.210 32.500 -0.089 0.000 0.714 873 K HN 0.367 nan 8.250 nan 0.000 0.440 874 V N 1.340 121.114 119.914 -0.234 0.000 2.469 874 V HA -0.241 3.888 4.120 0.016 0.000 0.251 874 V C 2.526 178.459 176.094 -0.270 0.000 1.064 874 V CA 2.472 64.639 62.300 -0.222 0.000 1.066 874 V CB -0.620 31.066 31.823 -0.227 0.000 0.667 874 V HN 0.607 nan 8.190 nan 0.000 0.461 875 M N -0.461 118.900 119.600 -0.397 0.000 2.160 875 M HA -0.152 4.337 4.480 0.016 0.000 0.264 875 M C 2.301 178.534 176.300 -0.112 0.000 1.073 875 M CA 1.937 57.059 55.300 -0.297 0.000 1.142 875 M CB -0.489 31.920 32.600 -0.320 0.000 1.358 875 M HN 0.448 nan 8.290 nan 0.000 0.422 876 H N 0.169 119.081 119.070 -0.263 0.000 2.321 876 H HA -0.213 4.352 4.556 0.014 0.000 0.295 876 H C 1.957 177.282 175.328 -0.004 0.000 1.102 876 H CA 1.867 57.824 56.048 -0.151 0.000 1.266 876 H CB -0.267 29.431 29.762 -0.107 0.000 1.363 876 H HN 0.560 nan 8.280 nan 0.000 0.492 877 E N 0.145 120.397 120.200 0.087 0.000 2.049 877 E HA -0.167 4.192 4.350 0.016 0.000 0.198 877 E C 2.332 178.962 176.600 0.051 0.000 1.007 877 E CA 1.957 58.388 56.400 0.053 0.000 0.809 877 E CB -0.042 29.658 29.700 -0.000 0.000 0.749 877 E HN 0.474 nan 8.360 nan 0.000 0.450 878 T N 0.548 115.112 114.554 0.016 0.000 2.788 878 T HA -0.120 4.239 4.350 0.016 0.000 0.268 878 T C 2.097 176.829 174.700 0.054 0.000 1.044 878 T CA 1.033 63.142 62.100 0.014 0.000 1.139 878 T CB -0.244 68.600 68.868 -0.040 0.000 0.867 878 T HN -0.030 nan 8.240 nan 0.000 0.454 879 V N 1.244 121.219 119.914 0.101 0.000 2.295 879 V HA -0.190 3.939 4.120 0.016 0.000 0.246 879 V C 2.728 178.896 176.094 0.122 0.000 1.049 879 V CA 1.827 64.217 62.300 0.149 0.000 1.024 879 V CB -0.713 31.291 31.823 0.300 0.000 0.648 879 V HN 0.410 nan 8.190 nan 0.000 0.447 880 K N -0.164 120.313 120.400 0.128 0.000 2.020 880 K HA -0.257 4.072 4.320 0.016 0.000 0.212 880 K C 1.885 178.534 176.600 0.081 0.000 1.050 880 K CA 2.257 58.603 56.287 0.098 0.000 0.929 880 K CB -0.889 31.667 32.500 0.094 0.000 0.714 880 K HN 0.724 nan 8.250 nan 0.000 0.443 881 D N 0.042 120.495 120.400 0.088 0.000 2.144 881 D HA -0.018 4.632 4.640 0.016 0.000 0.200 881 D C 1.882 178.272 176.300 0.150 0.000 0.978 881 D CA 1.344 55.415 54.000 0.119 0.000 0.833 881 D CB -0.074 40.817 40.800 0.151 0.000 0.961 881 D HN 0.342 nan 8.370 nan 0.000 0.470 882 L N -0.397 120.879 121.223 0.088 0.000 2.477 882 L HA 0.223 4.572 4.340 0.016 0.000 0.220 882 L C 0.868 177.756 176.870 0.030 0.000 1.106 882 L CA 0.181 55.041 54.840 0.032 0.000 0.851 882 L CB 0.243 42.280 42.059 -0.037 0.000 0.994 882 L HN -0.113 nan 8.230 nan 0.000 0.462 883 A N -0.372 122.474 122.820 0.043 0.000 3.297 883 A HA 0.448 4.778 4.320 0.016 0.000 0.304 883 A C -2.006 175.595 177.584 0.028 0.000 0.963 883 A CA -0.810 51.243 52.037 0.027 0.000 0.935 883 A CB -0.064 18.951 19.000 0.025 0.000 1.093 883 A HN -0.047 nan 8.150 nan 0.000 0.480 884 P HA -0.070 nan 4.420 nan 0.000 0.225 884 P C 0.977 178.283 177.300 0.011 0.000 1.156 884 P CA 1.060 64.176 63.100 0.026 0.000 0.787 884 P CB 0.163 31.881 31.700 0.030 0.000 0.802 885 K N -1.376 119.027 120.400 0.004 0.000 2.487 885 K HA 0.092 4.422 4.320 0.016 0.000 0.192 885 K C 0.008 176.599 176.600 -0.016 0.000 1.027 885 K CA 0.179 56.462 56.287 -0.006 0.000 1.054 885 K CB -0.256 32.240 32.500 -0.007 0.000 0.824 885 K HN 0.194 nan 8.250 nan 0.000 0.510 886 C N 1.116 120.407 119.300 -0.015 0.000 2.456 886 C HA 0.270 4.740 4.460 0.016 0.000 0.325 886 C C -0.132 174.841 174.990 -0.028 0.000 1.217 886 C CA -1.292 57.708 59.018 -0.030 0.000 1.687 886 C CB 1.074 28.793 27.740 -0.035 0.000 2.270 886 C HN 0.312 nan 8.230 nan 0.000 0.499 887 D N 1.899 122.269 120.400 -0.050 0.000 2.477 887 D HA 0.412 5.062 4.640 0.016 0.000 0.239 887 D C -0.629 175.622 176.300 -0.082 0.000 1.102 887 D CA -0.094 53.877 54.000 -0.049 0.000 0.901 887 D CB 0.708 41.475 40.800 -0.055 0.000 1.026 887 D HN 0.310 nan 8.370 nan 0.000 0.515 888 V N 3.042 122.910 119.914 -0.076 0.000 2.364 888 V HA 0.408 4.537 4.120 0.016 0.000 0.272 888 V C 0.389 176.351 176.094 -0.219 0.000 1.036 888 V CA -0.634 61.549 62.300 -0.195 0.000 0.880 888 V CB 1.164 32.859 31.823 -0.213 0.000 0.991 888 V HN 0.479 nan 8.190 nan 0.000 0.460 889 S N 4.846 120.375 115.700 -0.285 0.000 2.509 889 S HA 0.753 5.233 4.470 0.016 0.000 0.297 889 S C -0.748 173.637 174.600 -0.358 0.000 1.118 889 S CA -0.344 57.746 58.200 -0.184 0.000 1.074 889 S CB 1.048 64.201 63.200 -0.077 0.000 1.038 889 S HN 0.471 nan 8.310 nan 0.000 0.498 890 F N 2.229 122.105 119.950 -0.124 0.000 2.449 890 F HA 0.501 5.036 4.527 0.013 0.000 0.342 890 F C -0.343 175.476 175.800 0.032 0.000 1.127 890 F CA -0.898 57.067 58.000 -0.058 0.000 0.975 890 F CB 1.238 40.191 39.000 -0.078 0.000 1.146 890 F HN 0.287 nan 8.300 nan 0.000 0.444 891 L N 4.163 125.481 121.223 0.158 0.000 2.287 891 L HA 0.438 4.788 4.340 0.016 0.000 0.287 891 L C -0.410 176.548 176.870 0.147 0.000 1.022 891 L CA -0.636 54.286 54.840 0.136 0.000 0.814 891 L CB 1.480 43.583 42.059 0.072 0.000 1.217 891 L HN 0.653 nan 8.230 nan 0.000 0.420 892 Q N 2.728 122.639 119.800 0.185 0.000 2.288 892 Q HA 0.303 4.653 4.340 0.016 0.000 0.258 892 Q C -0.355 175.711 176.000 0.109 0.000 0.957 892 Q CA 0.018 55.931 55.803 0.183 0.000 0.919 892 Q CB 0.966 29.855 28.738 0.251 0.000 1.185 892 Q HN 0.786 nan 8.270 nan 0.000 0.408 893 S N 3.292 119.036 115.700 0.073 0.000 2.531 893 S HA 0.053 4.533 4.470 0.016 0.000 0.279 893 S C 0.485 175.112 174.600 0.045 0.000 1.305 893 S CA -0.373 57.855 58.200 0.046 0.000 1.058 893 S CB 0.587 63.798 63.200 0.019 0.000 0.899 893 S HN 0.755 nan 8.310 nan 0.000 0.493 894 E N 2.919 123.140 120.200 0.036 0.000 2.364 894 E HA 0.058 4.418 4.350 0.016 0.000 0.196 894 E C 0.241 176.845 176.600 0.006 0.000 0.990 894 E CA 0.452 56.868 56.400 0.027 0.000 0.886 894 E CB 0.130 29.849 29.700 0.030 0.000 0.866 894 E HN 0.708 nan 8.360 nan 0.000 0.493 895 D N 0.170 120.566 120.400 -0.007 0.000 2.398 895 D HA 0.208 4.857 4.640 0.016 0.000 0.210 895 D C 0.858 177.143 176.300 -0.025 0.000 1.094 895 D CA 0.542 54.526 54.000 -0.027 0.000 0.839 895 D CB 1.195 41.961 40.800 -0.057 0.000 0.963 895 D HN 0.105 nan 8.370 nan 0.000 0.506 896 G N 0.815 109.607 108.800 -0.013 0.000 2.814 896 G HA2 -0.274 3.695 3.960 0.016 0.000 0.677 896 G HA3 -0.274 3.695 3.960 0.016 0.000 0.677 896 G C 0.886 175.777 174.900 -0.015 0.000 1.429 896 G CA -0.123 44.971 45.100 -0.011 0.000 0.868 896 G HN 0.043 nan 8.290 nan 0.000 0.553 897 S N 0.375 116.069 115.700 -0.010 0.000 2.399 897 S HA -0.060 4.419 4.470 0.016 0.000 0.231 897 S C 2.718 177.317 174.600 -0.001 0.000 1.022 897 S CA 2.204 60.399 58.200 -0.009 0.000 0.983 897 S CB -0.548 62.648 63.200 -0.006 0.000 0.803 897 S HN 1.783 nan 8.310 nan 0.000 0.480 898 G N 1.559 110.364 108.800 0.008 0.000 2.485 898 G HA2 -0.279 3.691 3.960 0.016 0.000 0.221 898 G HA3 -0.279 3.691 3.960 0.016 0.000 0.221 898 G C 1.321 176.216 174.900 -0.008 0.000 1.115 898 G CA 0.997 46.108 45.100 0.017 0.000 0.751 898 G HN 0.446 nan 8.290 nan 0.000 0.567 899 K N 0.124 120.501 120.400 -0.038 0.000 2.001 899 K HA -0.013 4.316 4.320 0.016 0.000 0.208 899 K C 2.756 179.304 176.600 -0.087 0.000 1.048 899 K CA 1.190 57.427 56.287 -0.083 0.000 0.932 899 K CB -0.584 31.839 32.500 -0.128 0.000 0.715 899 K HN 0.227 nan 8.250 nan 0.000 0.437 900 G N 0.567 109.332 108.800 -0.059 0.000 2.418 900 G HA2 -0.272 3.697 3.960 0.016 0.000 0.217 900 G HA3 -0.272 3.697 3.960 0.016 0.000 0.217 900 G C 1.566 176.438 174.900 -0.047 0.000 1.158 900 G CA 1.045 46.119 45.100 -0.043 0.000 0.771 900 G HN 0.439 nan 8.290 nan 0.000 0.545 901 A N 1.070 123.874 122.820 -0.027 0.000 1.940 901 A HA 0.244 4.573 4.320 0.016 0.000 0.219 901 A C 2.774 180.324 177.584 -0.056 0.000 1.176 901 A CA 2.295 54.327 52.037 -0.009 0.000 0.631 901 A CB -0.668 18.359 19.000 0.046 0.000 0.814 901 A HN 0.796 nan 8.150 nan 0.000 0.446 902 A N -0.559 122.207 122.820 -0.089 0.000 1.968 902 A HA 0.110 4.440 4.320 0.016 0.000 0.217 902 A C 2.125 179.450 177.584 -0.432 0.000 1.169 902 A CA 1.205 53.113 52.037 -0.214 0.000 0.638 902 A CB -0.448 18.494 19.000 -0.097 0.000 0.812 902 A HN 0.460 nan 8.150 nan 0.000 0.446 903 L N -0.708 120.363 121.223 -0.254 0.000 2.056 903 L HA -0.131 4.219 4.340 0.016 0.000 0.207 903 L C 2.436 179.194 176.870 -0.186 0.000 1.078 903 L CA 1.046 55.758 54.840 -0.215 0.000 0.749 903 L CB -0.504 41.509 42.059 -0.078 0.000 0.901 903 L HN 0.348 nan 8.230 nan 0.000 0.433 904 I N -0.331 120.162 120.570 -0.128 0.000 2.127 904 I HA -0.324 3.855 4.170 0.016 0.000 0.241 904 I C 2.535 178.587 176.117 -0.108 0.000 1.075 904 I CA 1.718 62.968 61.300 -0.083 0.000 1.334 904 I CB -0.512 37.464 38.000 -0.041 0.000 1.040 904 I HN 0.256 nan 8.210 nan 0.000 0.405 905 T N 0.730 115.189 114.554 -0.159 0.000 2.685 905 T HA -0.268 4.092 4.350 0.016 0.000 0.268 905 T C 1.952 176.535 174.700 -0.194 0.000 1.034 905 T CA 1.687 63.698 62.100 -0.148 0.000 1.149 905 T CB -0.415 68.351 68.868 -0.168 0.000 0.860 905 T HN 0.527 nan 8.240 nan 0.000 0.449 906 A N 0.611 123.120 122.820 -0.518 0.000 1.969 906 A HA 0.027 4.357 4.320 0.016 0.000 0.218 906 A C 2.499 180.067 177.584 -0.027 0.000 1.169 906 A CA 1.020 52.882 52.037 -0.292 0.000 0.635 906 A CB -0.625 18.093 19.000 -0.470 0.000 0.810 906 A HN 0.398 nan 8.150 nan 0.000 0.445 907 V N -0.437 119.441 119.914 -0.060 0.000 2.871 907 V HA -0.105 4.025 4.120 0.016 0.000 0.256 907 V C 2.843 178.947 176.094 0.016 0.000 1.082 907 V CA 1.361 63.657 62.300 -0.005 0.000 1.105 907 V CB -0.940 30.876 31.823 -0.012 0.000 0.713 907 V HN 0.592 nan 8.190 nan 0.000 0.473 908 A N -0.419 122.409 122.820 0.013 0.000 1.841 908 A HA -0.227 4.103 4.320 0.016 0.000 0.214 908 A C 2.300 179.919 177.584 0.059 0.000 1.195 908 A CA 2.003 54.060 52.037 0.034 0.000 0.611 908 A CB -1.248 17.773 19.000 0.035 0.000 0.835 908 A HN 0.551 nan 8.150 nan 0.000 0.443 909 C N -0.877 118.482 119.300 0.099 0.000 2.400 909 C HA -0.089 4.380 4.460 0.016 0.000 0.291 909 C C 2.727 177.773 174.990 0.093 0.000 1.372 909 C CA 1.308 60.400 59.018 0.124 0.000 1.800 909 C CB -1.636 26.240 27.740 0.225 0.000 1.869 909 C HN 0.657 nan 8.230 nan 0.000 0.533 910 R N 0.486 121.033 120.500 0.079 0.000 2.062 910 R HA 0.038 4.388 4.340 0.016 0.000 0.226 910 R C 2.178 178.504 176.300 0.042 0.000 1.125 910 R CA 0.960 57.096 56.100 0.059 0.000 0.966 910 R CB -0.261 30.071 30.300 0.053 0.000 0.861 910 R HN 0.430 nan 8.270 nan 0.000 0.433 911 I N 1.799 122.391 120.570 0.036 0.000 2.103 911 I HA -0.365 3.815 4.170 0.016 0.000 0.241 911 I C 1.270 177.402 176.117 0.026 0.000 1.036 911 I CA 1.847 63.163 61.300 0.028 0.000 1.300 911 I CB -0.249 37.767 38.000 0.026 0.000 1.010 911 I HN 0.298 nan 8.210 nan 0.000 0.406 912 R N 1.586 122.103 120.500 0.029 0.000 4.902 912 R HA 0.281 4.631 4.340 0.016 0.000 0.201 912 R C -0.230 176.085 176.300 0.026 0.000 2.020 912 R CA 0.253 56.368 56.100 0.025 0.000 1.674 912 R CB -0.109 30.205 30.300 0.024 0.000 1.349 912 R HN 0.416 nan 8.270 nan 0.000 0.813 913 E N 0.000 120.215 120.200 0.025 0.000 2.725 913 E HA 0.000 4.360 4.350 0.016 0.000 0.291 913 E CA 0.000 56.414 56.400 0.024 0.000 0.976 913 E CB 0.000 29.718 29.700 0.029 0.000 0.812 913 E HN 0.000 nan 8.360 nan 0.000 0.440