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 1fgt_1_A DATA FIRST_RESID 7 DATA SEQUENCE KIKGTVVLMP KNELXXXXXX XXXXXLNAFL GRSVSLQLIS ATKADAHGKG DATA SEQUENCE KVGKDTFLEG INTSLPTLGA GESAFNIHFE WDGSMGIPGA FYIKNYMQVE DATA SEQUENCE FFLKSLTLEX XXXXXTIRFV CNSWVYNTKL YKSVRIFFAN HTYVPSETPA DATA SEQUENCE PLVSYREEEL KSLRGNGTGE RKEYDRIYDY DVYNDLGNPD KSEKLARPVL DATA SEQUENCE GGSSTFPYPR RGRTGRGPTV TDPNTEKQGE VFYVPRDENL GHLKSKDALE DATA SEQUENCE IGTKSLSQIV QPAFESAFDL KSTPIEFHSF QDVHDLYEGG IKLPRDVIST DATA SEQUENCE IIPLPVIKEL YRTDGQHILK FPQPHVVQVS QSAWMTDEEF AREMIAGVNP DATA SEQUENCE CVIRGLEEFP PKSNLDPAIY GDQSSKITAD SLDLDGYTMD EALGSRRLFM DATA SEQUENCE LDYHDIFMPY VRQINQLNSA KTYATRTILF LREDGTLKPV AIELSLPHSA DATA SEQUENCE GDLSAAVSQV VLPAKEGVES TIWLLAKAYV IVNDSCYHQL MSHWLNTHAA DATA SEQUENCE MEPFVIATHR HLSVLHPIYK LLTPHYRNNM NINALARQSL INANGIIETT DATA SEQUENCE FLPSKYSVEM SSAVYKNWVF TDQALPADLI KRGVAIKDPS TPHGVRLLIE DATA SEQUENCE DYPYAADGLE IWAAIKTWVQ EYVPLYYARD DDVKNDSELQ HWWKEAVEKG DATA SEQUENCE HGDLKDKPWW PKLQTLEDLV EVCLIIIWIA SALHAAVNFG NYPYGGLIMN DATA SEQUENCE RPTASRRLLP EKGTPEYEEM INNHEKAYLR TITSKLPTLI SLSVIEILST DATA SEQUENCE HASDEVYLGQ RDNPHWTSDS KALQAFQKFG NKLKEIEEKL VRRNNDPSLQ DATA SEQUENCE GNRLGPVQLP YTLLYPSSEE GLTFRGIPNS ISI 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.737 176.600 0.229 0.000 0.988 7 K CA 0.000 56.412 56.287 0.208 0.000 0.838 7 K CB 0.000 32.614 32.500 0.190 0.000 1.064 8 I N 2.765 123.491 120.570 0.261 0.000 2.312 8 I HA 0.292 4.464 4.170 0.003 0.000 0.291 8 I C 0.651 176.855 176.117 0.146 0.000 1.031 8 I CA -0.748 60.667 61.300 0.192 0.000 1.293 8 I CB 1.665 39.748 38.000 0.139 0.000 1.403 8 I HN 0.678 nan 8.210 nan 0.000 0.484 9 K N 5.410 125.839 120.400 0.048 0.000 2.379 9 K HA 0.468 4.789 4.320 0.003 0.000 0.284 9 K C -0.052 176.462 176.600 -0.143 0.000 1.044 9 K CA -0.116 56.054 56.287 -0.194 0.000 0.974 9 K CB 0.802 33.253 32.500 -0.082 0.000 0.962 9 K HN 0.842 nan 8.250 nan 0.000 0.474 10 G N 1.596 110.260 108.800 -0.228 0.000 2.574 10 G HA2 0.482 4.443 3.960 0.003 0.000 0.299 10 G HA3 0.482 4.443 3.960 0.003 0.000 0.299 10 G C -1.380 173.437 174.900 -0.138 0.000 1.298 10 G CA -0.520 44.526 45.100 -0.091 0.000 0.952 10 G HN 0.492 nan 8.290 nan 0.000 0.477 11 T N 0.375 114.869 114.554 -0.100 0.000 2.881 11 T HA 0.496 4.847 4.350 0.003 0.000 0.291 11 T C -0.624 174.021 174.700 -0.093 0.000 0.990 11 T CA -0.283 61.763 62.100 -0.091 0.000 0.976 11 T CB 1.677 70.499 68.868 -0.078 0.000 0.970 11 T HN 0.375 nan 8.240 nan 0.000 0.438 12 V N 4.070 123.943 119.914 -0.068 0.000 2.398 12 V HA 0.535 4.657 4.120 0.003 0.000 0.286 12 V C -0.169 175.915 176.094 -0.016 0.000 1.026 12 V CA -0.653 61.599 62.300 -0.080 0.000 0.868 12 V CB 1.746 33.507 31.823 -0.104 0.000 0.982 12 V HN 0.688 nan 8.190 nan 0.000 0.443 13 V N 6.734 126.613 119.914 -0.059 0.000 2.459 13 V HA 0.679 4.801 4.120 0.003 0.000 0.295 13 V C -0.402 175.645 176.094 -0.079 0.000 1.029 13 V CA -0.453 61.816 62.300 -0.051 0.000 0.874 13 V CB 1.468 33.258 31.823 -0.054 0.000 0.985 13 V HN 0.794 nan 8.190 nan 0.000 0.438 14 L N 2.752 123.933 121.223 -0.070 0.000 2.479 14 L HA 0.826 5.168 4.340 0.003 0.000 0.255 14 L C -0.860 175.977 176.870 -0.056 0.000 1.026 14 L CA -0.917 53.859 54.840 -0.108 0.000 0.842 14 L CB 2.212 44.099 42.059 -0.287 0.000 1.444 14 L HN 0.493 nan 8.230 nan 0.000 0.409 15 M N 1.355 120.972 119.600 0.027 0.000 2.190 15 M HA 0.554 5.036 4.480 0.003 0.000 0.312 15 M C -2.553 173.840 176.300 0.155 0.000 0.990 15 M CA -1.328 54.020 55.300 0.080 0.000 0.927 15 M CB 2.223 34.900 32.600 0.128 0.000 1.571 15 M HN 0.392 nan 8.290 nan 0.000 0.427 16 P HA 0.078 nan 4.420 nan 0.000 0.271 16 P C 0.227 177.747 177.300 0.367 0.000 1.218 16 P CA -0.163 63.159 63.100 0.370 0.000 0.780 16 P CB 0.762 32.689 31.700 0.377 0.000 0.901 17 K N 3.740 124.413 120.400 0.454 0.000 2.077 17 K HA -0.300 4.022 4.320 0.003 0.000 0.213 17 K C 1.524 178.305 176.600 0.302 0.000 1.051 17 K CA 2.173 58.736 56.287 0.459 0.000 0.929 17 K CB -0.441 32.251 32.500 0.320 0.000 0.715 17 K HN 0.509 nan 8.250 nan 0.000 0.451 18 N N 0.368 119.202 118.700 0.223 0.000 2.417 18 N HA -0.210 4.531 4.740 0.003 0.000 0.187 18 N C 0.878 176.478 175.510 0.150 0.000 1.027 18 N CA 1.231 54.377 53.050 0.159 0.000 0.891 18 N CB -0.187 38.381 38.487 0.134 0.000 0.956 18 N HN 0.356 nan 8.380 nan 0.000 0.442 19 E N 0.114 120.418 120.200 0.173 0.000 2.112 19 E HA 0.083 4.435 4.350 0.003 0.000 0.190 19 E C 0.634 177.312 176.600 0.130 0.000 0.979 19 E CA 0.370 56.851 56.400 0.135 0.000 0.814 19 E CB 0.061 29.835 29.700 0.123 0.000 0.762 19 E HN 0.339 nan 8.360 nan 0.000 0.460 33 N N 1.412 120.259 118.700 0.246 0.000 2.453 33 N HA -0.029 4.713 4.740 0.003 0.000 0.183 33 N C 1.596 177.176 175.510 0.117 0.000 1.041 33 N CA 1.232 54.391 53.050 0.181 0.000 0.900 33 N CB 0.204 38.752 38.487 0.102 0.000 0.961 33 N HN 0.382 nan 8.380 nan 0.000 0.443 34 A N 0.054 122.904 122.820 0.051 0.000 2.121 34 A HA -0.036 4.286 4.320 0.003 0.000 0.218 34 A C 1.548 179.016 177.584 -0.194 0.000 1.154 34 A CA 0.691 52.664 52.037 -0.106 0.000 0.679 34 A CB -0.608 18.265 19.000 -0.213 0.000 0.795 34 A HN 0.152 nan 8.150 nan 0.000 0.458 35 F N -0.165 119.752 119.950 -0.056 0.000 2.710 35 F HA 0.176 4.705 4.527 0.003 0.000 0.298 35 F C 1.397 177.084 175.800 -0.188 0.000 1.137 35 F CA 0.158 58.022 58.000 -0.227 0.000 1.444 35 F CB -0.251 38.394 39.000 -0.591 0.000 1.111 35 F HN 0.099 nan 8.300 nan 0.000 0.580 36 L N -1.171 120.108 121.223 0.094 0.000 2.656 36 L HA 0.370 4.712 4.340 0.003 0.000 0.149 36 L C 1.980 178.874 176.870 0.039 0.000 1.500 36 L CA 0.213 55.102 54.840 0.081 0.000 2.484 36 L CB -1.174 40.950 42.059 0.107 0.000 2.776 36 L HN 0.258 nan 8.230 nan 0.000 0.674 37 G N -0.051 108.750 108.800 0.002 0.000 2.661 37 G HA2 -0.371 3.591 3.960 0.003 0.000 0.327 37 G HA3 -0.371 3.591 3.960 0.003 0.000 0.327 37 G C 0.467 175.267 174.900 -0.168 0.000 1.320 37 G CA 0.727 45.779 45.100 -0.080 0.000 0.997 37 G HN 0.615 nan 8.290 nan 0.000 0.543 38 R N 0.327 120.670 120.500 -0.262 0.000 2.694 38 R HA 0.430 4.772 4.340 0.003 0.000 0.334 38 R C 2.008 178.344 176.300 0.059 0.000 1.143 38 R CA 0.461 56.256 56.100 -0.509 0.000 1.073 38 R CB 0.351 30.216 30.300 -0.725 0.000 1.366 38 R HN 0.294 nan 8.270 nan 0.000 0.577 39 S N 0.039 115.852 115.700 0.189 0.000 2.377 39 S HA 0.023 4.495 4.470 0.003 0.000 0.223 39 S C 0.825 175.698 174.600 0.455 0.000 1.030 39 S CA 0.595 58.957 58.200 0.270 0.000 0.970 39 S CB 0.438 63.687 63.200 0.082 0.000 0.830 39 S HN 0.030 nan 8.310 nan 0.000 0.473 40 V N 1.977 122.152 119.914 0.435 0.000 2.577 40 V HA 0.588 4.710 4.120 0.003 0.000 0.303 40 V C -0.516 175.675 176.094 0.162 0.000 1.042 40 V CA -0.801 61.685 62.300 0.309 0.000 0.872 40 V CB 1.761 33.652 31.823 0.113 0.000 0.998 40 V HN 0.321 nan 8.190 nan 0.000 0.423 41 S N 5.521 121.211 115.700 -0.016 0.000 2.513 41 S HA 0.921 5.393 4.470 0.003 0.000 0.299 41 S C -1.220 173.303 174.600 -0.129 0.000 1.087 41 S CA -0.642 57.297 58.200 -0.434 0.000 1.012 41 S CB 1.864 64.560 63.200 -0.841 0.000 1.044 41 S HN 0.404 nan 8.310 nan 0.000 0.485 42 L N 1.876 123.042 121.223 -0.096 0.000 2.341 42 L HA 0.617 4.958 4.340 0.003 0.000 0.267 42 L C -0.327 176.665 176.870 0.204 0.000 1.009 42 L CA -0.280 54.625 54.840 0.109 0.000 0.819 42 L CB 2.132 44.241 42.059 0.083 0.000 1.323 42 L HN 0.808 nan 8.230 nan 0.000 0.425 43 Q N 2.283 122.221 119.800 0.231 0.000 2.290 43 Q HA 0.564 4.906 4.340 0.003 0.000 0.269 43 Q C -1.309 174.734 176.000 0.072 0.000 1.016 43 Q CA -0.526 55.408 55.803 0.218 0.000 0.754 43 Q CB 2.451 31.349 28.738 0.267 0.000 1.247 43 Q HN 0.456 nan 8.270 nan 0.000 0.451 44 L N 3.139 124.298 121.223 -0.107 0.000 2.452 44 L HA 0.406 4.748 4.340 0.003 0.000 0.267 44 L C -0.158 176.648 176.870 -0.107 0.000 1.188 44 L CA -0.054 54.549 54.840 -0.396 0.000 0.821 44 L CB 0.413 41.885 42.059 -0.978 0.000 1.102 44 L HN 0.511 nan 8.230 nan 0.000 0.470 45 I N 1.000 121.456 120.570 -0.190 0.000 2.498 45 I HA 0.172 4.343 4.170 0.003 0.000 0.290 45 I C -0.025 176.153 176.117 0.101 0.000 1.032 45 I CA -0.264 61.025 61.300 -0.017 0.000 1.073 45 I CB 2.104 39.893 38.000 -0.352 0.000 1.251 45 I HN 0.490 nan 8.210 nan 0.000 0.426 46 S N 3.551 119.485 115.700 0.390 0.000 2.548 46 S HA 0.466 4.937 4.470 0.003 0.000 0.277 46 S C 0.881 175.632 174.600 0.253 0.000 1.315 46 S CA -0.081 58.362 58.200 0.406 0.000 1.050 46 S CB 1.283 64.776 63.200 0.488 0.000 0.918 46 S HN 0.737 nan 8.310 nan 0.000 0.497 47 A N 3.262 126.204 122.820 0.203 0.000 2.267 47 A HA 0.180 4.502 4.320 0.003 0.000 0.213 47 A C 1.772 179.423 177.584 0.112 0.000 1.192 47 A CA 0.861 52.992 52.037 0.156 0.000 0.851 47 A CB -0.320 18.767 19.000 0.145 0.000 0.881 47 A HN 0.928 nan 8.150 nan 0.000 0.494 48 T N -4.489 110.145 114.554 0.132 0.000 2.964 48 T HA 0.252 4.604 4.350 0.003 0.000 0.249 48 T C 0.428 175.177 174.700 0.082 0.000 1.000 48 T CA -0.103 62.050 62.100 0.089 0.000 0.992 48 T CB 0.202 69.121 68.868 0.085 0.000 1.087 48 T HN 0.009 nan 8.240 nan 0.000 0.489 49 K N 2.167 122.634 120.400 0.112 0.000 2.307 49 K HA 0.825 5.147 4.320 0.003 0.000 0.263 49 K C -0.792 175.858 176.600 0.084 0.000 0.973 49 K CA -0.341 55.989 56.287 0.072 0.000 0.846 49 K CB 1.762 34.287 32.500 0.041 0.000 1.100 49 K HN 0.419 nan 8.250 nan 0.000 0.438 50 A N 2.579 125.431 122.820 0.055 0.000 2.337 50 A HA 0.515 4.837 4.320 0.003 0.000 0.331 50 A C -0.217 177.388 177.584 0.036 0.000 1.137 50 A CA -0.724 51.348 52.037 0.058 0.000 0.807 50 A CB 0.676 19.699 19.000 0.038 0.000 1.250 50 A HN 0.745 nan 8.150 nan 0.000 0.468 51 D N 0.735 121.164 120.400 0.049 0.000 2.376 51 D HA 0.357 4.998 4.640 0.003 0.000 0.268 51 D C 1.095 177.384 176.300 -0.018 0.000 1.252 51 D CA 0.216 54.232 54.000 0.027 0.000 1.041 51 D CB 0.155 40.995 40.800 0.067 0.000 1.109 51 D HN 0.481 nan 8.370 nan 0.000 0.552 52 A N -1.614 121.156 122.820 -0.082 0.000 2.239 52 A HA -0.114 4.208 4.320 0.003 0.000 0.209 52 A C 1.252 178.666 177.584 -0.283 0.000 1.171 52 A CA 0.755 52.678 52.037 -0.190 0.000 0.768 52 A CB -0.727 18.116 19.000 -0.262 0.000 0.790 52 A HN 0.567 nan 8.150 nan 0.000 0.478 53 H N -1.894 117.170 119.070 -0.011 0.000 2.755 53 H HA 0.261 4.818 4.556 0.003 0.000 0.273 53 H C 1.590 176.894 175.328 -0.040 0.000 1.055 53 H CA 0.612 56.646 56.048 -0.024 0.000 1.191 53 H CB 0.624 30.370 29.762 -0.026 0.000 1.536 53 H HN 0.579 nan 8.280 nan 0.000 0.529 54 G N 1.463 110.293 108.800 0.051 0.000 2.175 54 G HA2 -0.244 3.717 3.960 0.003 0.000 0.244 54 G HA3 -0.244 3.717 3.960 0.003 0.000 0.244 54 G C 0.120 175.007 174.900 -0.022 0.000 0.982 54 G CA -0.193 44.913 45.100 0.010 0.000 0.641 54 G HN 0.280 nan 8.290 nan 0.000 0.527 55 K N 0.825 121.209 120.400 -0.026 0.000 2.156 55 K HA 0.539 4.861 4.320 0.003 0.000 0.271 55 K C 1.042 177.679 176.600 0.061 0.000 0.995 55 K CA -0.203 56.005 56.287 -0.133 0.000 0.890 55 K CB 1.456 33.805 32.500 -0.251 0.000 1.073 55 K HN 0.332 nan 8.250 nan 0.000 0.454 56 G N 2.829 111.754 108.800 0.209 0.000 2.287 56 G HA2 -0.119 3.842 3.960 0.003 0.000 0.235 56 G HA3 -0.119 3.842 3.960 0.003 0.000 0.235 56 G C -0.309 174.792 174.900 0.334 0.000 1.258 56 G CA -0.177 45.124 45.100 0.335 0.000 0.884 56 G HN 0.499 nan 8.290 nan 0.000 0.518 57 K N 0.368 120.909 120.400 0.235 0.000 2.355 57 K HA 0.282 4.603 4.320 0.003 0.000 0.270 57 K C -0.076 176.687 176.600 0.271 0.000 1.003 57 K CA -0.276 56.127 56.287 0.193 0.000 0.957 57 K CB 1.261 33.801 32.500 0.066 0.000 0.939 57 K HN 0.203 nan 8.250 nan 0.000 0.482 58 V N 2.015 122.078 119.914 0.249 0.000 2.513 58 V HA 0.306 4.428 4.120 0.003 0.000 0.299 58 V C 0.787 177.048 176.094 0.278 0.000 1.035 58 V CA -0.833 61.646 62.300 0.298 0.000 0.889 58 V CB 1.575 33.587 31.823 0.315 0.000 0.988 58 V HN 0.976 nan 8.190 nan 0.000 0.440 59 G N 3.187 112.233 108.800 0.410 0.000 2.553 59 G HA2 0.331 4.292 3.960 0.003 0.000 0.278 59 G HA3 0.331 4.292 3.960 0.003 0.000 0.278 59 G C -0.184 174.870 174.900 0.256 0.000 1.349 59 G CA -0.636 44.684 45.100 0.366 0.000 1.037 59 G HN 0.660 nan 8.290 nan 0.000 0.508 60 K N -0.033 120.507 120.400 0.233 0.000 2.168 60 K HA 0.141 4.463 4.320 0.003 0.000 0.258 60 K C -0.470 176.226 176.600 0.159 0.000 1.010 60 K CA -0.381 56.011 56.287 0.174 0.000 0.929 60 K CB 0.612 33.204 32.500 0.153 0.000 0.998 60 K HN 0.358 nan 8.250 nan 0.000 0.479 61 D N 1.786 122.246 120.400 0.100 0.000 2.417 61 D HA 0.034 4.675 4.640 0.003 0.000 0.250 61 D C -0.556 175.683 176.300 -0.102 0.000 1.166 61 D CA 0.693 54.677 54.000 -0.026 0.000 0.881 61 D CB 0.904 41.684 40.800 -0.034 0.000 1.164 61 D HN 0.328 nan 8.370 nan 0.000 0.467 62 T N 2.822 117.237 114.554 -0.233 0.000 2.841 62 T HA 0.398 4.750 4.350 0.003 0.000 0.285 62 T C -0.152 174.290 174.700 -0.430 0.000 0.991 62 T CA -0.578 61.384 62.100 -0.231 0.000 0.966 62 T CB 0.595 69.290 68.868 -0.288 0.000 0.962 62 T HN 0.053 nan 8.240 nan 0.000 0.438 63 F N 1.256 121.172 119.950 -0.057 0.000 2.408 63 F HA 0.535 5.063 4.527 0.003 0.000 0.325 63 F C 0.672 176.416 175.800 -0.093 0.000 1.082 63 F CA -1.526 56.450 58.000 -0.040 0.000 1.032 63 F CB 0.622 39.620 39.000 -0.004 0.000 1.259 63 F HN 0.245 nan 8.300 nan 0.000 0.503 64 L N 1.621 122.902 121.223 0.096 0.000 2.499 64 L HA 0.062 4.404 4.340 0.003 0.000 0.273 64 L C 0.812 177.731 176.870 0.083 0.000 1.195 64 L CA 0.331 55.178 54.840 0.013 0.000 0.882 64 L CB 0.405 42.405 42.059 -0.098 0.000 1.133 64 L HN 0.781 nan 8.230 nan 0.000 0.483 65 E N 1.777 122.024 120.200 0.078 0.000 2.166 65 E HA 0.199 4.550 4.350 0.003 0.000 0.192 65 E C 0.740 177.405 176.600 0.109 0.000 0.967 65 E CA 0.338 56.792 56.400 0.089 0.000 0.840 65 E CB 0.542 30.296 29.700 0.090 0.000 0.795 65 E HN 0.833 nan 8.360 nan 0.000 0.470 66 G N 0.176 109.065 108.800 0.149 0.000 2.506 66 G HA2 0.427 4.388 3.960 0.003 0.000 0.292 66 G HA3 0.427 4.388 3.960 0.003 0.000 0.292 66 G C -1.704 173.274 174.900 0.131 0.000 1.425 66 G CA -1.004 44.182 45.100 0.143 0.000 0.788 66 G HN -0.074 nan 8.290 nan 0.000 0.490 67 I N 1.692 122.267 120.570 0.008 0.000 2.371 67 I HA 0.264 4.436 4.170 0.003 0.000 0.290 67 I C 0.282 176.281 176.117 -0.197 0.000 1.028 67 I CA -0.906 60.243 61.300 -0.253 0.000 1.345 67 I CB 1.334 39.186 38.000 -0.246 0.000 1.407 67 I HN 0.366 nan 8.210 nan 0.000 0.501 68 N N 3.950 122.491 118.700 -0.263 0.000 2.422 68 N HA 0.167 4.909 4.740 0.003 0.000 0.266 68 N C -0.139 175.269 175.510 -0.170 0.000 1.007 68 N CA 0.102 53.055 53.050 -0.162 0.000 0.941 68 N CB 1.135 39.539 38.487 -0.139 0.000 1.115 68 N HN 0.612 nan 8.380 nan 0.000 0.492 69 T N 1.416 115.903 114.554 -0.113 0.000 3.415 69 T HA 0.266 4.618 4.350 0.003 0.000 0.282 69 T C 0.476 175.138 174.700 -0.065 0.000 1.007 69 T CA -0.252 61.790 62.100 -0.096 0.000 0.958 69 T CB -0.073 68.746 68.868 -0.082 0.000 1.171 69 T HN 0.416 nan 8.240 nan 0.000 0.500 70 S N 0.890 116.553 115.700 -0.061 0.000 2.370 70 S HA 0.294 4.766 4.470 0.003 0.000 0.214 70 S C 0.532 175.111 174.600 -0.036 0.000 1.033 70 S CA -0.264 57.911 58.200 -0.041 0.000 0.941 70 S CB -0.157 63.022 63.200 -0.034 0.000 0.886 70 S HN 0.493 nan 8.310 nan 0.000 0.521 71 L N 4.201 125.401 121.223 -0.039 0.000 2.499 71 L HA 0.209 4.551 4.340 0.003 0.000 0.273 71 L C -2.029 174.824 176.870 -0.028 0.000 1.195 71 L CA -1.168 53.655 54.840 -0.029 0.000 0.882 71 L CB 0.206 42.248 42.059 -0.028 0.000 1.133 71 L HN -0.022 nan 8.230 nan 0.000 0.483 72 P HA -0.004 nan 4.420 nan 0.000 0.219 72 P C -0.156 177.136 177.300 -0.012 0.000 1.150 72 P CA 0.796 63.887 63.100 -0.015 0.000 0.814 72 P CB 0.100 31.794 31.700 -0.009 0.000 0.787 73 T N 0.674 115.223 114.554 -0.008 0.000 2.814 73 T HA 0.274 4.626 4.350 0.003 0.000 0.297 73 T C 0.522 175.217 174.700 -0.007 0.000 0.956 73 T CA 0.365 62.465 62.100 -0.001 0.000 1.123 73 T CB 0.758 69.630 68.868 0.008 0.000 0.902 73 T HN -0.133 nan 8.240 nan 0.000 0.528 74 L N 2.859 124.079 121.223 -0.004 0.000 1.284 74 L HA 0.388 4.730 4.340 0.003 0.000 0.047 74 L C 1.154 178.024 176.870 0.000 0.000 1.584 74 L CA 1.694 56.529 54.840 -0.010 0.000 1.080 74 L CB -0.997 41.043 42.059 -0.032 0.000 2.129 74 L HN 0.947 nan 8.230 nan 0.000 0.425 75 G N 0.810 109.608 108.800 -0.003 0.000 2.591 75 G HA2 0.144 4.106 3.960 0.003 0.000 0.278 75 G HA3 0.144 4.106 3.960 0.003 0.000 0.278 75 G C 0.773 175.681 174.900 0.014 0.000 1.293 75 G CA 1.213 46.317 45.100 0.006 0.000 0.930 75 G HN 2.206 nan 8.290 nan 0.000 0.562 76 A N -1.519 121.315 122.820 0.024 0.000 2.511 76 A HA 0.319 4.641 4.320 0.003 0.000 0.297 76 A C 2.687 180.292 177.584 0.035 0.000 1.476 76 A CA 1.656 53.714 52.037 0.034 0.000 0.757 76 A CB -1.484 17.541 19.000 0.041 0.000 1.072 76 A HN 3.131 nan 8.150 nan 0.000 0.413 77 G N -1.253 107.565 108.800 0.030 0.000 2.361 77 G HA2 -0.273 3.689 3.960 0.003 0.000 0.294 77 G HA3 -0.273 3.689 3.960 0.003 0.000 0.294 77 G C -0.016 174.900 174.900 0.027 0.000 1.004 77 G CA 1.162 46.283 45.100 0.034 0.000 0.870 77 G HN 1.130 nan 8.290 nan 0.000 0.510 78 E N -0.369 119.836 120.200 0.008 0.000 2.283 78 E HA 0.645 4.997 4.350 0.003 0.000 0.271 78 E C -0.166 176.397 176.600 -0.062 0.000 1.031 78 E CA -0.355 56.038 56.400 -0.012 0.000 0.868 78 E CB 1.276 30.972 29.700 -0.007 0.000 1.094 78 E HN 0.145 nan 8.360 nan 0.000 0.401 79 S N 0.552 116.190 115.700 -0.104 0.000 2.547 79 S HA 0.620 5.091 4.470 0.003 0.000 0.281 79 S C -1.183 173.225 174.600 -0.320 0.000 1.118 79 S CA -0.761 57.295 58.200 -0.240 0.000 0.947 79 S CB 1.789 64.820 63.200 -0.282 0.000 1.053 79 S HN 0.575 nan 8.310 nan 0.000 0.482 80 A N 2.360 124.916 122.820 -0.440 0.000 2.312 80 A HA 0.890 5.212 4.320 0.003 0.000 0.326 80 A C -1.254 175.947 177.584 -0.638 0.000 1.172 80 A CA -0.413 51.410 52.037 -0.357 0.000 0.821 80 A CB 0.269 19.142 19.000 -0.212 0.000 1.166 80 A HN 0.638 nan 8.150 nan 0.000 0.493 81 F N 1.564 121.422 119.950 -0.154 0.000 2.540 81 F HA 0.353 4.882 4.527 0.003 0.000 0.317 81 F C 0.287 176.009 175.800 -0.129 0.000 1.104 81 F CA -0.783 57.135 58.000 -0.136 0.000 0.913 81 F CB 2.014 40.914 39.000 -0.167 0.000 1.170 81 F HN 0.499 nan 8.300 nan 0.000 0.450 82 N N 3.249 121.979 118.700 0.051 0.000 2.530 82 N HA 0.592 5.333 4.740 0.003 0.000 0.277 82 N C -1.035 174.447 175.510 -0.047 0.000 1.168 82 N CA -0.150 52.886 53.050 -0.023 0.000 0.979 82 N CB 2.106 40.603 38.487 0.017 0.000 1.141 82 N HN 0.725 nan 8.380 nan 0.000 0.459 83 I N 0.466 120.913 120.570 -0.204 0.000 2.753 83 I HA 0.205 4.377 4.170 0.003 0.000 0.291 83 I C -1.709 174.096 176.117 -0.520 0.000 1.425 83 I CA -0.575 60.548 61.300 -0.295 0.000 1.039 83 I CB 1.513 39.274 38.000 -0.397 0.000 1.349 83 I HN 0.502 nan 8.210 nan 0.000 0.430 84 H N 6.348 125.216 119.070 -0.336 0.000 2.547 84 H HA 0.530 5.088 4.556 0.003 0.000 0.342 84 H C -1.431 173.709 175.328 -0.313 0.000 1.048 84 H CA -0.167 55.754 56.048 -0.213 0.000 1.204 84 H CB 1.513 31.232 29.762 -0.072 0.000 1.493 84 H HN 0.280 nan 8.280 nan 0.000 0.511 85 F N 0.815 120.814 119.950 0.082 0.000 2.420 85 F HA 0.168 4.697 4.527 0.003 0.000 0.342 85 F C 0.905 176.814 175.800 0.180 0.000 1.113 85 F CA -0.755 57.304 58.000 0.098 0.000 1.059 85 F CB 1.179 40.194 39.000 0.025 0.000 1.128 85 F HN 0.521 nan 8.300 nan 0.000 0.475 86 E N 4.716 125.131 120.200 0.358 0.000 1.944 86 E HA -0.004 4.348 4.350 0.003 0.000 0.272 86 E C -1.411 175.419 176.600 0.383 0.000 1.195 86 E CA -0.105 56.463 56.400 0.280 0.000 0.926 86 E CB 0.352 30.165 29.700 0.188 0.000 1.051 86 E HN 0.601 nan 8.360 nan 0.000 0.404 87 W N 6.949 128.322 121.300 0.123 0.000 3.216 87 W HA 0.136 4.798 4.660 0.003 0.000 0.335 87 W C -1.626 174.934 176.519 0.069 0.000 1.077 87 W CA -0.819 56.580 57.345 0.090 0.000 1.252 87 W CB 1.068 30.577 29.460 0.082 0.000 1.312 87 W HN 0.566 nan 8.180 nan 0.000 0.446 88 D N 1.440 121.817 120.400 -0.039 0.000 2.326 88 D HA 0.332 4.974 4.640 0.003 0.000 0.251 88 D C 1.223 177.511 176.300 -0.020 0.000 1.023 88 D CA -0.258 53.752 54.000 0.018 0.000 0.966 88 D CB 1.572 42.358 40.800 -0.023 0.000 1.156 88 D HN 0.460 nan 8.370 nan 0.000 0.494 89 G N 0.196 109.030 108.800 0.057 0.000 2.517 89 G HA2 -0.349 3.613 3.960 0.003 0.000 0.222 89 G HA3 -0.349 3.613 3.960 0.003 0.000 0.222 89 G C 1.448 176.348 174.900 0.000 0.000 1.109 89 G CA 1.581 46.722 45.100 0.067 0.000 0.746 89 G HN 0.622 nan 8.290 nan 0.000 0.576 90 S N -0.281 115.379 115.700 -0.068 0.000 2.447 90 S HA 0.042 4.514 4.470 0.003 0.000 0.233 90 S C 2.096 176.599 174.600 -0.163 0.000 1.006 90 S CA 1.055 59.199 58.200 -0.093 0.000 0.957 90 S CB -0.164 62.979 63.200 -0.095 0.000 0.773 90 S HN 0.173 nan 8.310 nan 0.000 0.507 91 M N 1.556 120.953 119.600 -0.339 0.000 2.618 91 M HA 0.262 4.744 4.480 0.003 0.000 0.240 91 M C 1.507 177.748 176.300 -0.099 0.000 1.123 91 M CA 0.763 55.738 55.300 -0.542 0.000 1.060 91 M CB -1.313 30.294 32.600 -1.654 0.000 1.535 91 M HN 0.643 nan 8.290 nan 0.000 0.507 92 G N 1.249 110.105 108.800 0.093 0.000 2.615 92 G HA2 -0.214 3.747 3.960 0.003 0.000 0.218 92 G HA3 -0.214 3.747 3.960 0.003 0.000 0.218 92 G C -0.455 174.719 174.900 0.457 0.000 1.339 92 G CA -0.824 44.422 45.100 0.243 0.000 0.884 92 G HN 0.331 nan 8.290 nan 0.000 0.559 93 I N 3.005 123.761 120.570 0.310 0.000 2.336 93 I HA 0.344 4.516 4.170 0.003 0.000 0.292 93 I C -1.763 174.445 176.117 0.152 0.000 0.991 93 I CA -2.034 59.397 61.300 0.217 0.000 1.227 93 I CB 2.095 40.169 38.000 0.123 0.000 1.366 93 I HN 0.308 nan 8.210 nan 0.000 0.466 94 P HA 0.072 nan 4.420 nan 0.000 0.271 94 P C 0.355 177.670 177.300 0.025 0.000 1.220 94 P CA 0.060 63.037 63.100 -0.206 0.000 0.768 94 P CB 1.100 32.417 31.700 -0.638 0.000 0.848 95 G N 1.284 110.142 108.800 0.097 0.000 3.342 95 G HA2 0.530 4.491 3.960 0.003 0.000 0.252 95 G HA3 0.530 4.491 3.960 0.003 0.000 0.252 95 G C 0.037 175.078 174.900 0.236 0.000 1.011 95 G CA 0.348 45.549 45.100 0.168 0.000 0.869 95 G HN 0.837 nan 8.290 nan 0.000 0.514 96 A N -0.286 122.657 122.820 0.206 0.000 2.540 96 A HA 0.813 5.135 4.320 0.003 0.000 0.291 96 A C -1.808 175.693 177.584 -0.139 0.000 1.083 96 A CA -0.676 51.377 52.037 0.026 0.000 0.650 96 A CB 0.810 19.493 19.000 -0.529 0.000 1.292 96 A HN 1.254 nan 8.150 nan 0.000 0.435 97 F N -2.095 117.546 119.950 -0.515 0.000 2.703 97 F HA 0.796 5.324 4.527 0.003 0.000 0.308 97 F C -2.027 173.513 175.800 -0.434 0.000 1.126 97 F CA -1.132 56.553 58.000 -0.524 0.000 0.959 97 F CB 0.589 39.238 39.000 -0.585 0.000 1.297 97 F HN 0.552 nan 8.300 nan 0.000 0.441 98 Y N 3.103 123.390 120.300 -0.022 0.000 2.419 98 Y HA 0.758 5.310 4.550 0.003 0.000 0.328 98 Y C -0.196 175.807 175.900 0.171 0.000 1.162 98 Y CA -1.384 56.672 58.100 -0.075 0.000 1.174 98 Y CB 1.813 40.228 38.460 -0.076 0.000 1.228 98 Y HN 0.834 nan 8.280 nan 0.000 0.473 99 I N 2.071 122.820 120.570 0.297 0.000 2.656 99 I HA 0.437 4.609 4.170 0.003 0.000 0.292 99 I C -1.718 174.474 176.117 0.125 0.000 1.144 99 I CA -0.767 60.702 61.300 0.282 0.000 1.038 99 I CB 1.706 39.974 38.000 0.446 0.000 1.244 99 I HN 0.556 nan 8.210 nan 0.000 0.420 100 K N 4.700 125.128 120.400 0.046 0.000 2.426 100 K HA 0.354 4.675 4.320 0.003 0.000 0.254 100 K C -1.164 175.342 176.600 -0.157 0.000 0.936 100 K CA -0.809 55.400 56.287 -0.129 0.000 0.801 100 K CB 1.672 33.983 32.500 -0.315 0.000 1.139 100 K HN 0.441 nan 8.250 nan 0.000 0.424 101 N N 2.398 121.039 118.700 -0.099 0.000 2.437 101 N HA 0.139 4.881 4.740 0.003 0.000 0.259 101 N C -0.554 174.889 175.510 -0.111 0.000 0.983 101 N CA -0.128 52.965 53.050 0.071 0.000 0.937 101 N CB 0.533 39.110 38.487 0.150 0.000 1.122 101 N HN 0.483 nan 8.380 nan 0.000 0.499 102 Y N 1.900 122.316 120.300 0.195 0.000 2.500 102 Y HA 0.297 4.849 4.550 0.003 0.000 0.270 102 Y C 0.837 176.786 175.900 0.082 0.000 1.134 102 Y CA 0.057 58.235 58.100 0.130 0.000 1.293 102 Y CB 0.041 38.588 38.460 0.145 0.000 1.063 102 Y HN 0.404 nan 8.280 nan 0.000 0.534 103 M N 0.058 119.774 119.600 0.194 0.000 2.198 103 M HA 0.014 4.496 4.480 0.003 0.000 0.315 103 M C 1.310 177.650 176.300 0.067 0.000 1.134 103 M CA -0.003 55.351 55.300 0.091 0.000 1.171 103 M CB 0.609 33.225 32.600 0.027 0.000 1.413 103 M HN 0.043 nan 8.290 nan 0.000 0.467 104 Q N 0.559 120.377 119.800 0.030 0.000 2.083 104 Q HA 0.084 4.426 4.340 0.003 0.000 0.198 104 Q C 0.233 176.238 176.000 0.008 0.000 0.969 104 Q CA 0.906 56.720 55.803 0.019 0.000 0.838 104 Q CB -0.183 28.561 28.738 0.011 0.000 0.900 104 Q HN 0.562 nan 8.270 nan 0.000 0.436 105 V N 3.508 123.429 119.914 0.012 0.000 2.607 105 V HA 0.053 4.174 4.120 0.003 0.000 0.289 105 V C 0.572 176.684 176.094 0.029 0.000 1.053 105 V CA -0.740 61.565 62.300 0.009 0.000 0.996 105 V CB 1.368 33.214 31.823 0.038 0.000 0.995 105 V HN 0.262 nan 8.190 nan 0.000 0.476 106 E N 4.292 124.424 120.200 -0.113 0.000 2.392 106 E HA 0.307 4.659 4.350 0.003 0.000 0.259 106 E C -0.966 175.790 176.600 0.261 0.000 1.108 106 E CA -0.205 56.087 56.400 -0.179 0.000 0.916 106 E CB 1.261 30.461 29.700 -0.833 0.000 0.989 106 E HN 0.504 nan 8.360 nan 0.000 0.432 107 F N -0.946 119.206 119.950 0.336 0.000 2.629 107 F HA 0.623 5.151 4.527 0.003 0.000 0.316 107 F C -1.319 174.556 175.800 0.126 0.000 1.081 107 F CA -2.000 56.204 58.000 0.340 0.000 0.954 107 F CB 0.943 40.142 39.000 0.332 0.000 1.337 107 F HN 0.284 nan 8.300 nan 0.000 0.474 108 F N 3.769 123.605 119.950 -0.190 0.000 2.371 108 F HA 0.551 5.080 4.527 0.003 0.000 0.363 108 F C -0.712 174.997 175.800 -0.151 0.000 1.122 108 F CA -1.331 56.251 58.000 -0.697 0.000 1.129 108 F CB 0.950 39.216 39.000 -1.223 0.000 1.173 108 F HN 0.596 nan 8.300 nan 0.000 0.489 109 L N 7.783 128.702 121.223 -0.508 0.000 2.361 109 L HA 0.270 4.612 4.340 0.003 0.000 0.278 109 L C 0.756 177.211 176.870 -0.692 0.000 1.113 109 L CA 0.306 54.928 54.840 -0.363 0.000 0.849 109 L CB 0.439 42.344 42.059 -0.257 0.000 1.155 109 L HN 0.574 nan 8.230 nan 0.000 0.452 110 K N 2.446 122.603 120.400 -0.405 0.000 2.063 110 K HA 0.259 4.580 4.320 0.003 0.000 0.204 110 K C 0.338 176.817 176.600 -0.201 0.000 1.039 110 K CA 1.051 57.156 56.287 -0.303 0.000 0.957 110 K CB -0.032 32.403 32.500 -0.109 0.000 0.764 110 K HN 0.808 nan 8.250 nan 0.000 0.447 111 S N -0.574 115.040 115.700 -0.143 0.000 2.611 111 S HA 0.550 5.022 4.470 0.003 0.000 0.268 111 S C -1.691 172.856 174.600 -0.089 0.000 1.156 111 S CA -1.115 57.042 58.200 -0.072 0.000 0.817 111 S CB 1.299 64.493 63.200 -0.010 0.000 1.122 111 S HN 0.032 nan 8.310 nan 0.000 0.466 112 L N 0.703 121.899 121.223 -0.045 0.000 2.410 112 L HA 0.869 5.210 4.340 0.003 0.000 0.270 112 L C -1.181 175.696 176.870 0.013 0.000 0.983 112 L CA 0.222 54.955 54.840 -0.179 0.000 0.822 112 L CB 2.073 43.745 42.059 -0.646 0.000 1.285 112 L HN 0.963 nan 8.230 nan 0.000 0.409 113 T N 5.882 120.413 114.554 -0.040 0.000 2.879 113 T HA 0.620 4.972 4.350 0.003 0.000 0.290 113 T C -0.733 173.951 174.700 -0.027 0.000 0.993 113 T CA -0.344 61.755 62.100 -0.002 0.000 0.975 113 T CB 1.147 69.988 68.868 -0.046 0.000 0.981 113 T HN 0.482 nan 8.240 nan 0.000 0.439 114 L N 3.271 124.494 121.223 -0.000 0.000 2.322 114 L HA 0.612 4.954 4.340 0.003 0.000 0.281 114 L C 0.285 177.136 176.870 -0.031 0.000 1.014 114 L CA -0.805 54.018 54.840 -0.029 0.000 0.815 114 L CB 1.645 43.677 42.059 -0.045 0.000 1.247 114 L HN 0.633 nan 8.230 nan 0.000 0.421 123 I N 2.860 123.376 120.570 -0.091 0.000 2.389 123 I HA 0.500 4.672 4.170 0.003 0.000 0.288 123 I C 0.125 176.130 176.117 -0.188 0.000 0.999 123 I CA -0.758 60.445 61.300 -0.163 0.000 1.129 123 I CB 1.618 39.553 38.000 -0.107 0.000 1.288 123 I HN 0.302 nan 8.210 nan 0.000 0.444 124 R N 5.452 125.741 120.500 -0.351 0.000 2.532 124 R HA 0.676 5.018 4.340 0.003 0.000 0.295 124 R C -1.526 174.533 176.300 -0.400 0.000 0.968 124 R CA -0.634 55.310 56.100 -0.260 0.000 0.916 124 R CB 1.844 31.959 30.300 -0.307 0.000 1.124 124 R HN 0.322 nan 8.270 nan 0.000 0.463 125 F N 1.071 120.973 119.950 -0.080 0.000 2.507 125 F HA 0.311 4.840 4.527 0.003 0.000 0.328 125 F C -0.266 175.538 175.800 0.006 0.000 1.136 125 F CA -0.936 57.069 58.000 0.010 0.000 0.930 125 F CB 1.868 40.959 39.000 0.151 0.000 1.166 125 F HN 0.071 nan 8.300 nan 0.000 0.436 126 V N 3.448 123.461 119.914 0.164 0.000 2.333 126 V HA 0.153 4.275 4.120 0.003 0.000 0.274 126 V C 0.041 176.202 176.094 0.112 0.000 1.028 126 V CA -0.219 62.153 62.300 0.121 0.000 0.851 126 V CB 0.733 32.640 31.823 0.139 0.000 1.000 126 V HN 1.101 nan 8.190 nan 0.000 0.456 127 C N 2.284 121.566 119.300 -0.029 0.000 2.519 127 C HA 0.162 4.624 4.460 0.003 0.000 0.297 127 C C 1.246 176.160 174.990 -0.126 0.000 1.414 127 C CA -0.485 58.426 59.018 -0.178 0.000 1.893 127 C CB -0.591 26.699 27.740 -0.750 0.000 2.134 127 C HN 0.913 nan 8.230 nan 0.000 0.580 128 N N 1.771 120.283 118.700 -0.313 0.000 2.669 128 N HA -0.159 4.582 4.740 0.003 0.000 0.266 128 N C -0.456 174.876 175.510 -0.297 0.000 1.024 128 N CA 1.277 54.093 53.050 -0.389 0.000 0.766 128 N CB -0.745 37.806 38.487 0.106 0.000 0.898 128 N HN 0.659 nan 8.380 nan 0.000 0.548 129 S N -0.752 114.560 115.700 -0.648 0.000 2.536 129 S HA 0.549 5.020 4.470 0.003 0.000 0.271 129 S C -1.006 173.523 174.600 -0.117 0.000 1.134 129 S CA -0.807 57.365 58.200 -0.047 0.000 0.897 129 S CB 0.796 64.197 63.200 0.335 0.000 1.094 129 S HN 0.302 nan 8.310 nan 0.000 0.473 130 W N 2.811 124.330 121.300 0.365 0.000 2.266 130 W HA 0.488 5.149 4.660 0.003 0.000 0.317 130 W C -0.343 176.322 176.519 0.244 0.000 1.310 130 W CA -0.366 57.181 57.345 0.336 0.000 1.207 130 W CB 0.920 30.651 29.460 0.451 0.000 1.199 130 W HN 0.356 nan 8.180 nan 0.000 0.544 131 V N 5.847 125.851 119.914 0.149 0.000 2.326 131 V HA 0.196 4.318 4.120 0.003 0.000 0.281 131 V C -0.310 175.777 176.094 -0.013 0.000 1.015 131 V CA -1.179 61.153 62.300 0.053 0.000 0.823 131 V CB -0.424 31.159 31.823 -0.399 0.000 1.009 131 V HN 0.345 nan 8.190 nan 0.000 0.436 132 Y N 2.089 122.491 120.300 0.170 0.000 2.289 132 Y HA 0.209 4.760 4.550 0.003 0.000 0.332 132 Y C 1.307 177.122 175.900 -0.141 0.000 1.324 132 Y CA -0.505 57.539 58.100 -0.093 0.000 1.478 132 Y CB 0.418 38.660 38.460 -0.363 0.000 1.378 132 Y HN 0.595 nan 8.280 nan 0.000 0.558 133 N N 0.387 119.058 118.700 -0.048 0.000 2.412 133 N HA -0.143 4.598 4.740 0.003 0.000 0.254 133 N C 1.145 176.593 175.510 -0.104 0.000 1.232 133 N CA 0.706 53.719 53.050 -0.061 0.000 0.880 133 N CB 1.044 39.498 38.487 -0.055 0.000 1.076 133 N HN 0.843 nan 8.380 nan 0.000 0.458 134 T N 3.214 117.737 114.554 -0.051 0.000 2.802 134 T HA -0.139 4.212 4.350 0.003 0.000 0.269 134 T C 1.437 176.127 174.700 -0.016 0.000 1.062 134 T CA 1.516 63.611 62.100 -0.007 0.000 1.133 134 T CB 0.009 68.777 68.868 -0.168 0.000 0.852 134 T HN 0.584 nan 8.240 nan 0.000 0.485 135 K N 0.112 120.476 120.400 -0.060 0.000 2.365 135 K HA 0.130 4.452 4.320 0.003 0.000 0.199 135 K C 1.944 178.451 176.600 -0.154 0.000 1.045 135 K CA 0.642 56.890 56.287 -0.064 0.000 0.962 135 K CB -0.071 32.405 32.500 -0.040 0.000 0.759 135 K HN 0.407 nan 8.250 nan 0.000 0.469 136 L N 0.054 121.077 121.223 -0.334 0.000 2.492 136 L HA -0.001 4.341 4.340 0.003 0.000 0.223 136 L C 0.107 176.695 176.870 -0.471 0.000 1.132 136 L CA 0.197 54.673 54.840 -0.608 0.000 0.850 136 L CB -0.032 41.319 42.059 -1.180 0.000 0.966 136 L HN 0.036 nan 8.230 nan 0.000 0.454 137 Y N -0.262 119.952 120.300 -0.144 0.000 2.323 137 Y HA 0.149 4.700 4.550 0.003 0.000 0.331 137 Y C 1.204 177.079 175.900 -0.041 0.000 1.092 137 Y CA -0.900 57.160 58.100 -0.066 0.000 1.150 137 Y CB 1.185 39.615 38.460 -0.050 0.000 1.200 137 Y HN -0.177 nan 8.280 nan 0.000 0.472 138 K N 1.273 121.772 120.400 0.166 0.000 2.103 138 K HA -0.027 4.294 4.320 0.003 0.000 0.204 138 K C 0.074 176.706 176.600 0.053 0.000 1.052 138 K CA 1.103 57.440 56.287 0.082 0.000 0.945 138 K CB 0.172 32.714 32.500 0.070 0.000 0.722 138 K HN 0.682 nan 8.250 nan 0.000 0.443 139 S N -0.639 115.089 115.700 0.045 0.000 2.570 139 S HA 0.383 4.855 4.470 0.003 0.000 0.286 139 S C -0.413 174.136 174.600 -0.084 0.000 1.099 139 S CA -1.178 57.011 58.200 -0.018 0.000 0.913 139 S CB 1.970 65.165 63.200 -0.009 0.000 1.085 139 S HN -0.096 nan 8.310 nan 0.000 0.480 140 V N 3.492 123.321 119.914 -0.142 0.000 2.673 140 V HA 0.209 4.331 4.120 0.003 0.000 0.303 140 V C 0.849 176.834 176.094 -0.181 0.000 1.046 140 V CA -0.346 61.840 62.300 -0.190 0.000 1.126 140 V CB -0.360 31.253 31.823 -0.350 0.000 0.934 140 V HN 0.784 nan 8.190 nan 0.000 0.487 141 R N 3.801 124.120 120.500 -0.301 0.000 2.522 141 R HA 0.334 4.675 4.340 0.003 0.000 0.284 141 R C -0.314 175.773 176.300 -0.355 0.000 1.032 141 R CA 0.111 55.960 56.100 -0.419 0.000 1.049 141 R CB 0.020 30.089 30.300 -0.385 0.000 0.956 141 R HN 0.757 nan 8.270 nan 0.000 0.422 142 I N 3.046 123.222 120.570 -0.655 0.000 2.545 142 I HA 0.457 4.629 4.170 0.003 0.000 0.292 142 I C -1.302 174.046 176.117 -1.281 0.000 1.040 142 I CA -0.893 59.908 61.300 -0.832 0.000 1.068 142 I CB 1.136 38.703 38.000 -0.722 0.000 1.251 142 I HN 0.306 nan 8.210 nan 0.000 0.424 143 F N 6.060 125.398 119.950 -1.019 0.000 2.551 143 F HA 0.553 5.081 4.527 0.003 0.000 0.316 143 F C -0.696 174.689 175.800 -0.692 0.000 1.089 143 F CA -0.460 57.065 58.000 -0.791 0.000 0.915 143 F CB 1.788 40.207 39.000 -0.969 0.000 1.186 143 F HN 0.174 nan 8.300 nan 0.000 0.456 144 F N 1.104 121.096 119.950 0.071 0.000 2.483 144 F HA 0.737 5.266 4.527 0.003 0.000 0.329 144 F C 0.565 176.419 175.800 0.089 0.000 1.064 144 F CA -1.092 56.969 58.000 0.102 0.000 0.986 144 F CB 0.995 39.994 39.000 -0.002 0.000 1.218 144 F HN 0.562 nan 8.300 nan 0.000 0.484 145 A N 1.170 123.955 122.820 -0.058 0.000 2.386 145 A HA 0.149 4.471 4.320 0.003 0.000 0.246 145 A C 0.890 178.213 177.584 -0.434 0.000 1.089 145 A CA -0.362 51.178 52.037 -0.827 0.000 0.790 145 A CB -0.061 18.389 19.000 -0.916 0.000 1.042 145 A HN 0.842 nan 8.150 nan 0.000 0.497 146 N N 0.717 119.085 118.700 -0.552 0.000 2.535 146 N HA -0.063 4.678 4.740 0.003 0.000 0.203 146 N C -0.077 175.205 175.510 -0.380 0.000 1.301 146 N CA 0.270 53.111 53.050 -0.348 0.000 0.859 146 N CB -0.553 37.779 38.487 -0.260 0.000 1.055 146 N HN 0.589 nan 8.380 nan 0.000 0.457 147 H N 0.005 118.917 119.070 -0.264 0.000 2.615 147 H HA 0.264 4.822 4.556 0.003 0.000 0.363 147 H C 0.004 174.962 175.328 -0.616 0.000 1.148 147 H CA 0.076 55.862 56.048 -0.436 0.000 1.401 147 H CB 0.823 30.301 29.762 -0.472 0.000 1.461 147 H HN 0.006 nan 8.280 nan 0.000 0.588 148 T N 3.380 117.594 114.554 -0.565 0.000 2.797 148 T HA 0.428 4.779 4.350 0.003 0.000 0.279 148 T C -0.833 173.455 174.700 -0.687 0.000 0.991 148 T CA -0.548 61.243 62.100 -0.516 0.000 0.979 148 T CB 0.202 68.888 68.868 -0.303 0.000 0.943 148 T HN 0.329 nan 8.240 nan 0.000 0.444 149 Y N 1.471 121.666 120.300 -0.174 0.000 2.332 149 Y HA 0.421 4.973 4.550 0.003 0.000 0.325 149 Y C 0.307 176.014 175.900 -0.323 0.000 1.054 149 Y CA -1.628 56.357 58.100 -0.192 0.000 1.119 149 Y CB 0.663 39.036 38.460 -0.144 0.000 1.168 149 Y HN 0.584 nan 8.280 nan 0.000 0.439 150 V N 1.552 121.314 119.914 -0.252 0.000 3.209 150 V HA 0.058 4.179 4.120 0.003 0.000 0.305 150 V C -1.994 174.019 176.094 -0.135 0.000 1.127 150 V CA -0.880 61.203 62.300 -0.361 0.000 1.235 150 V CB 0.674 32.274 31.823 -0.370 0.000 0.987 150 V HN 0.567 nan 8.190 nan 0.000 0.499 151 P HA -0.173 nan 4.420 nan 0.000 0.216 151 P C 2.017 179.290 177.300 -0.045 0.000 1.157 151 P CA 2.436 65.522 63.100 -0.023 0.000 0.880 151 P CB -0.161 31.558 31.700 0.033 0.000 0.791 152 S N -1.332 114.345 115.700 -0.038 0.000 2.500 152 S HA -0.123 4.348 4.470 0.003 0.000 0.239 152 S C 1.413 175.972 174.600 -0.069 0.000 0.989 152 S CA 1.011 59.185 58.200 -0.044 0.000 0.951 152 S CB -0.828 62.355 63.200 -0.029 0.000 0.759 152 S HN 0.130 nan 8.310 nan 0.000 0.523 153 E N 1.109 121.263 120.200 -0.077 0.000 2.498 153 E HA 0.154 4.506 4.350 0.003 0.000 0.203 153 E C -0.257 176.176 176.600 -0.278 0.000 1.013 153 E CA 0.058 56.403 56.400 -0.091 0.000 0.927 153 E CB 0.432 30.148 29.700 0.027 0.000 1.012 153 E HN 0.447 nan 8.360 nan 0.000 0.482 154 T N 3.774 118.162 114.554 -0.276 0.000 2.888 154 T HA 0.138 4.490 4.350 0.003 0.000 0.301 154 T C -2.364 172.083 174.700 -0.421 0.000 1.001 154 T CA -0.900 60.929 62.100 -0.451 0.000 1.147 154 T CB 0.644 69.386 68.868 -0.210 0.000 0.931 154 T HN -0.098 nan 8.240 nan 0.000 0.541 155 P HA 0.126 nan 4.420 nan 0.000 0.265 155 P C 0.604 177.819 177.300 -0.141 0.000 1.193 155 P CA -0.124 62.806 63.100 -0.284 0.000 0.765 155 P CB 0.392 31.956 31.700 -0.227 0.000 0.823 156 A N 6.478 129.242 122.820 -0.093 0.000 1.927 156 A HA -0.167 4.155 4.320 0.003 0.000 0.220 156 A C -0.456 177.114 177.584 -0.024 0.000 1.185 156 A CA 1.952 53.957 52.037 -0.054 0.000 0.639 156 A CB -2.360 16.615 19.000 -0.040 0.000 0.820 156 A HN 0.511 nan 8.150 nan 0.000 0.451 157 P HA 0.010 nan 4.420 nan 0.000 0.230 157 P C 0.799 178.172 177.300 0.122 0.000 1.158 157 P CA 0.692 63.827 63.100 0.059 0.000 0.769 157 P CB 0.040 31.805 31.700 0.107 0.000 0.807 158 L N -2.706 118.594 121.223 0.129 0.000 2.664 158 L HA 0.083 4.424 4.340 0.003 0.000 0.233 158 L C 1.920 178.885 176.870 0.158 0.000 1.113 158 L CA -0.001 55.010 54.840 0.285 0.000 0.896 158 L CB -0.253 41.975 42.059 0.282 0.000 1.163 158 L HN -0.212 nan 8.230 nan 0.000 0.497 159 V N -0.321 119.605 119.914 0.020 0.000 2.252 159 V HA -0.340 3.782 4.120 0.003 0.000 0.249 159 V C 2.644 178.733 176.094 -0.009 0.000 1.056 159 V CA 2.428 64.719 62.300 -0.015 0.000 1.022 159 V CB -0.357 31.440 31.823 -0.043 0.000 0.641 159 V HN 0.456 nan 8.190 nan 0.000 0.445 160 S N -1.715 113.943 115.700 -0.070 0.000 2.383 160 S HA -0.168 4.303 4.470 0.003 0.000 0.227 160 S C 1.931 176.530 174.600 -0.001 0.000 1.026 160 S CA 1.358 59.506 58.200 -0.087 0.000 0.981 160 S CB -0.349 62.740 63.200 -0.185 0.000 0.818 160 S HN 0.617 nan 8.310 nan 0.000 0.472 161 Y N 1.704 122.059 120.300 0.091 0.000 2.224 161 Y HA 0.002 4.554 4.550 0.003 0.000 0.289 161 Y C 2.546 178.568 175.900 0.203 0.000 1.146 161 Y CA 1.290 59.474 58.100 0.139 0.000 1.182 161 Y CB -0.654 37.901 38.460 0.158 0.000 0.983 161 Y HN 0.224 nan 8.280 nan 0.000 0.524 162 R N 0.382 121.066 120.500 0.307 0.000 2.070 162 R HA -0.220 4.121 4.340 0.003 0.000 0.233 162 R C 2.178 178.511 176.300 0.054 0.000 1.137 162 R CA 1.924 58.074 56.100 0.084 0.000 0.945 162 R CB -0.198 30.061 30.300 -0.068 0.000 0.845 162 R HN 0.202 nan 8.270 nan 0.000 0.430 163 E N 0.546 120.774 120.200 0.047 0.000 2.106 163 E HA -0.163 4.189 4.350 0.003 0.000 0.192 163 E C 1.678 178.305 176.600 0.045 0.000 0.984 163 E CA 1.407 57.824 56.400 0.027 0.000 0.806 163 E CB 0.007 29.713 29.700 0.010 0.000 0.750 163 E HN 0.299 nan 8.360 nan 0.000 0.458 164 E N 0.333 120.580 120.200 0.077 0.000 2.106 164 E HA -0.192 4.160 4.350 0.003 0.000 0.192 164 E C 1.950 178.598 176.600 0.081 0.000 0.984 164 E CA 1.286 57.735 56.400 0.081 0.000 0.806 164 E CB -0.230 29.538 29.700 0.113 0.000 0.750 164 E HN 0.345 nan 8.360 nan 0.000 0.458 165 E N 1.018 121.283 120.200 0.108 0.000 2.106 165 E HA -0.101 4.250 4.350 0.003 0.000 0.192 165 E C 2.152 178.778 176.600 0.044 0.000 0.984 165 E CA 0.723 57.172 56.400 0.081 0.000 0.806 165 E CB -0.289 29.495 29.700 0.140 0.000 0.750 165 E HN 0.186 nan 8.360 nan 0.000 0.458 166 L N 0.234 121.472 121.223 0.025 0.000 2.046 166 L HA -0.153 4.189 4.340 0.003 0.000 0.208 166 L C 2.505 179.372 176.870 -0.005 0.000 1.077 166 L CA 1.462 56.297 54.840 -0.007 0.000 0.747 166 L CB -0.372 41.670 42.059 -0.027 0.000 0.896 166 L HN 0.099 nan 8.230 nan 0.000 0.432 167 K N -0.687 119.721 120.400 0.013 0.000 2.147 167 K HA -0.174 4.148 4.320 0.003 0.000 0.205 167 K C 2.393 179.011 176.600 0.030 0.000 1.049 167 K CA 1.515 57.813 56.287 0.019 0.000 0.936 167 K CB -0.194 32.323 32.500 0.027 0.000 0.722 167 K HN 0.143 nan 8.250 nan 0.000 0.446 168 S N 1.150 116.873 115.700 0.039 0.000 2.368 168 S HA -0.061 4.411 4.470 0.003 0.000 0.224 168 S C 1.886 176.528 174.600 0.069 0.000 1.029 168 S CA 0.832 59.060 58.200 0.048 0.000 0.988 168 S CB -0.113 63.110 63.200 0.040 0.000 0.838 168 S HN 0.198 nan 8.310 nan 0.000 0.462 169 L N 0.650 121.921 121.223 0.080 0.000 2.201 169 L HA 0.037 4.379 4.340 0.003 0.000 0.212 169 L C 2.759 179.716 176.870 0.146 0.000 1.105 169 L CA 0.956 55.885 54.840 0.148 0.000 0.775 169 L CB -0.297 41.838 42.059 0.126 0.000 0.913 169 L HN 0.249 nan 8.230 nan 0.000 0.440 170 R N -0.208 120.330 120.500 0.063 0.000 2.161 170 R HA 0.125 4.467 4.340 0.003 0.000 0.213 170 R C 1.200 177.528 176.300 0.047 0.000 1.055 170 R CA 0.489 56.615 56.100 0.044 0.000 0.996 170 R CB -0.127 30.170 30.300 -0.004 0.000 0.901 170 R HN 0.403 nan 8.270 nan 0.000 0.456 171 G N 1.791 110.617 108.800 0.043 0.000 2.641 171 G HA2 -0.364 3.597 3.960 0.003 0.000 0.254 171 G HA3 -0.364 3.597 3.960 0.003 0.000 0.254 171 G C -0.108 174.804 174.900 0.020 0.000 1.315 171 G CA 0.291 45.406 45.100 0.025 0.000 0.907 171 G HN 0.549 nan 8.290 nan 0.000 0.572 172 N N -0.357 118.347 118.700 0.007 0.000 2.200 172 N HA 0.480 5.221 4.740 0.003 0.000 0.224 172 N C 1.504 177.017 175.510 0.006 0.000 1.179 172 N CA 1.120 54.176 53.050 0.010 0.000 0.877 172 N CB 0.803 39.293 38.487 0.005 0.000 1.072 172 N HN 2.351 nan 8.380 nan 0.000 0.519 173 G N -0.477 108.323 108.800 -0.000 0.000 2.162 173 G HA2 -0.292 3.669 3.960 0.003 0.000 0.260 173 G HA3 -0.292 3.669 3.960 0.003 0.000 0.260 173 G C 0.133 175.017 174.900 -0.026 0.000 0.976 173 G CA 0.845 45.943 45.100 -0.003 0.000 0.655 173 G HN 0.951 nan 8.290 nan 0.000 0.533 174 T N -2.841 111.689 114.554 -0.041 0.000 2.901 174 T HA 0.915 5.266 4.350 0.003 0.000 0.293 174 T C 0.446 175.098 174.700 -0.081 0.000 1.084 174 T CA 0.382 62.449 62.100 -0.054 0.000 1.008 174 T CB 2.311 71.155 68.868 -0.040 0.000 1.170 174 T HN 2.360 nan 8.240 nan 0.000 0.509 175 G N 0.544 109.289 108.800 -0.092 0.000 2.692 175 G HA2 0.028 3.990 3.960 0.003 0.000 0.686 175 G HA3 0.028 3.990 3.960 0.003 0.000 0.686 175 G C -0.652 174.146 174.900 -0.170 0.000 1.243 175 G CA -0.364 44.665 45.100 -0.117 0.000 0.782 175 G HN 1.135 nan 8.290 nan 0.000 0.625 176 E N 1.227 121.320 120.200 -0.179 0.000 2.223 176 E HA 0.353 4.705 4.350 0.003 0.000 0.282 176 E C 0.706 177.108 176.600 -0.330 0.000 1.046 176 E CA -0.764 55.498 56.400 -0.230 0.000 0.857 176 E CB 0.402 29.991 29.700 -0.185 0.000 1.055 176 E HN 0.435 nan 8.360 nan 0.000 0.409 177 R N 3.842 124.046 120.500 -0.495 0.000 2.491 177 R HA 0.203 4.545 4.340 0.003 0.000 0.283 177 R C -0.067 175.814 176.300 -0.698 0.000 1.072 177 R CA -0.188 55.415 56.100 -0.829 0.000 1.048 177 R CB 0.599 29.879 30.300 -1.699 0.000 0.983 177 R HN 0.468 nan 8.270 nan 0.000 0.450 178 K N 1.797 121.801 120.400 -0.660 0.000 2.185 178 K HA 0.113 4.435 4.320 0.003 0.000 0.240 178 K C 0.997 177.283 176.600 -0.523 0.000 0.983 178 K CA -0.682 55.242 56.287 -0.605 0.000 0.873 178 K CB 1.379 33.343 32.500 -0.894 0.000 1.118 178 K HN 0.565 nan 8.250 nan 0.000 0.441 179 E N 0.939 120.869 120.200 -0.450 0.000 2.086 179 E HA -0.261 4.091 4.350 0.003 0.000 0.200 179 E C 1.033 177.399 176.600 -0.388 0.000 1.012 179 E CA 2.064 58.297 56.400 -0.277 0.000 0.812 179 E CB -0.077 29.517 29.700 -0.177 0.000 0.743 179 E HN 0.595 nan 8.360 nan 0.000 0.453 180 Y N 0.000 120.027 120.300 -0.456 0.000 2.490 180 Y HA 0.284 4.836 4.550 0.003 0.000 0.281 180 Y C 0.131 175.894 175.900 -0.228 0.000 1.174 180 Y CA -0.497 57.164 58.100 -0.731 0.000 1.295 180 Y CB -0.326 37.270 38.460 -1.441 0.000 1.062 180 Y HN -0.235 nan 8.280 nan 0.000 0.522 181 D N 1.985 122.253 120.400 -0.219 0.000 2.382 181 D HA 0.137 4.779 4.640 0.003 0.000 0.240 181 D C 0.072 176.459 176.300 0.145 0.000 1.146 181 D CA 0.144 54.154 54.000 0.017 0.000 0.897 181 D CB 0.681 41.392 40.800 -0.148 0.000 1.197 181 D HN 0.345 nan 8.370 nan 0.000 0.432 182 R N 1.253 121.841 120.500 0.147 0.000 2.772 182 R HA 0.356 4.697 4.340 0.003 0.000 0.358 182 R C -0.528 175.850 176.300 0.129 0.000 1.143 182 R CA -0.283 55.892 56.100 0.124 0.000 1.153 182 R CB 0.293 30.713 30.300 0.201 0.000 1.329 182 R HN 0.293 nan 8.270 nan 0.000 0.615 183 I N 1.232 121.844 120.570 0.069 0.000 2.339 183 I HA 0.276 4.448 4.170 0.003 0.000 0.290 183 I C -0.667 175.436 176.117 -0.022 0.000 0.994 183 I CA -0.847 60.498 61.300 0.075 0.000 1.191 183 I CB 0.914 38.918 38.000 0.008 0.000 1.343 183 I HN 0.075 nan 8.210 nan 0.000 0.458 184 Y N 4.781 125.086 120.300 0.008 0.000 2.335 184 Y HA 0.517 5.068 4.550 0.003 0.000 0.339 184 Y C 0.035 175.847 175.900 -0.146 0.000 0.987 184 Y CA -0.388 57.676 58.100 -0.061 0.000 1.140 184 Y CB 0.974 39.403 38.460 -0.050 0.000 1.173 184 Y HN 0.470 nan 8.280 nan 0.000 0.486 185 D N 0.838 121.170 120.400 -0.112 0.000 2.665 185 D HA 0.319 4.961 4.640 0.003 0.000 0.287 185 D C -1.635 174.467 176.300 -0.331 0.000 1.266 185 D CA -0.766 53.102 54.000 -0.220 0.000 0.830 185 D CB 1.448 42.219 40.800 -0.049 0.000 1.356 185 D HN 0.272 nan 8.370 nan 0.000 0.437 186 Y N 0.254 120.552 120.300 -0.003 0.000 2.496 186 Y HA 0.603 5.155 4.550 0.003 0.000 0.331 186 Y C 0.400 176.268 175.900 -0.054 0.000 1.140 186 Y CA -0.515 57.560 58.100 -0.041 0.000 1.166 186 Y CB 1.458 39.884 38.460 -0.057 0.000 1.249 186 Y HN 0.109 nan 8.280 nan 0.000 0.479 187 D N -0.529 119.927 120.400 0.094 0.000 2.653 187 D HA 0.382 5.024 4.640 0.003 0.000 0.258 187 D C -1.225 175.077 176.300 0.003 0.000 1.252 187 D CA -0.447 53.564 54.000 0.019 0.000 0.777 187 D CB 2.241 43.015 40.800 -0.043 0.000 1.339 187 D HN 0.381 nan 8.370 nan 0.000 0.422 188 V N -0.215 119.708 119.914 0.016 0.000 3.336 188 V HA 0.438 4.559 4.120 0.003 0.000 0.304 188 V C 0.019 176.139 176.094 0.044 0.000 1.073 188 V CA -0.193 62.156 62.300 0.082 0.000 1.074 188 V CB 0.377 32.254 31.823 0.090 0.000 1.161 188 V HN 0.488 nan 8.190 nan 0.000 0.460 189 Y N 2.786 123.096 120.300 0.017 0.000 2.636 189 Y HA 0.313 4.865 4.550 0.003 0.000 0.334 189 Y C 1.140 176.996 175.900 -0.073 0.000 1.286 189 Y CA -0.517 57.573 58.100 -0.016 0.000 1.688 189 Y CB -0.474 37.959 38.460 -0.046 0.000 1.662 189 Y HN 0.838 nan 8.280 nan 0.000 0.465 190 N N -0.252 118.459 118.700 0.018 0.000 2.235 190 N HA -0.011 4.730 4.740 0.003 0.000 0.231 190 N C -0.135 175.352 175.510 -0.039 0.000 1.177 190 N CA 0.003 53.042 53.050 -0.019 0.000 0.874 190 N CB 0.068 38.540 38.487 -0.026 0.000 1.097 190 N HN 0.464 nan 8.380 nan 0.000 0.518 191 D N -0.201 120.182 120.400 -0.028 0.000 2.479 191 D HA 0.111 4.753 4.640 0.003 0.000 0.218 191 D C 1.071 177.404 176.300 0.055 0.000 1.177 191 D CA -0.308 53.674 54.000 -0.030 0.000 0.830 191 D CB -0.152 40.581 40.800 -0.113 0.000 1.014 191 D HN 0.192 nan 8.370 nan 0.000 0.503 192 L N 0.017 121.258 121.223 0.030 0.000 2.253 192 L HA 0.286 4.628 4.340 0.003 0.000 0.205 192 L C 1.621 178.474 176.870 -0.028 0.000 1.078 192 L CA 0.452 55.297 54.840 0.009 0.000 0.805 192 L CB -0.320 41.718 42.059 -0.036 0.000 0.963 192 L HN 0.048 nan 8.230 nan 0.000 0.459 193 G N -0.213 108.560 108.800 -0.045 0.000 2.572 193 G HA2 0.073 4.035 3.960 0.003 0.000 0.261 193 G HA3 0.073 4.035 3.960 0.003 0.000 0.261 193 G C -0.319 174.562 174.900 -0.032 0.000 1.197 193 G CA -0.110 44.958 45.100 -0.054 0.000 0.870 193 G HN 0.140 nan 8.290 nan 0.000 0.548 194 N N 0.451 119.130 118.700 -0.035 0.000 2.703 194 N HA 0.253 4.994 4.740 0.003 0.000 0.283 194 N C -1.426 174.067 175.510 -0.029 0.000 1.851 194 N CA -1.657 51.378 53.050 -0.024 0.000 0.826 194 N CB 1.492 39.968 38.487 -0.019 0.000 1.239 194 N HN 0.151 nan 8.380 nan 0.000 0.495 195 P HA -0.072 nan 4.420 nan 0.000 0.219 195 P C 0.338 177.624 177.300 -0.024 0.000 1.146 195 P CA 1.000 64.083 63.100 -0.029 0.000 0.808 195 P CB 0.587 32.269 31.700 -0.029 0.000 0.779 196 D N -0.107 120.279 120.400 -0.023 0.000 2.264 196 D HA -0.110 4.532 4.640 0.003 0.000 0.208 196 D C 2.011 178.300 176.300 -0.019 0.000 0.966 196 D CA 1.007 54.995 54.000 -0.021 0.000 0.864 196 D CB -0.291 40.496 40.800 -0.021 0.000 0.933 196 D HN 0.298 nan 8.370 nan 0.000 0.499 197 K N -0.600 119.788 120.400 -0.019 0.000 2.166 197 K HA 0.025 4.347 4.320 0.003 0.000 0.201 197 K C 0.033 176.621 176.600 -0.020 0.000 1.052 197 K CA 0.397 56.673 56.287 -0.019 0.000 0.969 197 K CB 0.446 32.935 32.500 -0.019 0.000 0.761 197 K HN -0.016 nan 8.250 nan 0.000 0.459 198 S N -0.352 115.334 115.700 -0.023 0.000 2.579 198 S HA 0.039 4.511 4.470 0.003 0.000 0.290 198 S C -0.245 174.339 174.600 -0.027 0.000 1.123 198 S CA -0.748 57.438 58.200 -0.024 0.000 0.894 198 S CB 1.280 64.465 63.200 -0.026 0.000 1.095 198 S HN 0.371 nan 8.310 nan 0.000 0.450 199 E N 2.901 123.087 120.200 -0.023 0.000 2.409 199 E HA -0.053 4.299 4.350 0.003 0.000 0.198 199 E C 1.015 177.596 176.600 -0.031 0.000 1.024 199 E CA 0.510 56.896 56.400 -0.024 0.000 0.861 199 E CB -0.126 29.563 29.700 -0.017 0.000 0.788 199 E HN 0.564 nan 8.360 nan 0.000 0.521 200 K N 0.671 121.051 120.400 -0.034 0.000 2.365 200 K HA 0.032 4.354 4.320 0.003 0.000 0.199 200 K C 1.546 178.110 176.600 -0.061 0.000 1.045 200 K CA 0.578 56.838 56.287 -0.045 0.000 0.962 200 K CB 0.085 32.560 32.500 -0.042 0.000 0.759 200 K HN 0.229 nan 8.250 nan 0.000 0.469 201 L N 0.678 121.868 121.223 -0.055 0.000 2.653 201 L HA 0.195 4.537 4.340 0.003 0.000 0.231 201 L C 0.564 177.395 176.870 -0.065 0.000 1.153 201 L CA -0.596 54.206 54.840 -0.064 0.000 0.933 201 L CB 0.212 42.240 42.059 -0.051 0.000 1.175 201 L HN -0.035 nan 8.230 nan 0.000 0.473 202 A N 0.937 123.721 122.820 -0.060 0.000 2.388 202 A HA 0.626 4.947 4.320 0.003 0.000 0.257 202 A C 0.049 177.585 177.584 -0.080 0.000 1.095 202 A CA -0.095 51.908 52.037 -0.058 0.000 0.791 202 A CB 0.366 19.341 19.000 -0.041 0.000 1.029 202 A HN 0.191 nan 8.150 nan 0.000 0.489 203 R N 1.515 121.960 120.500 -0.091 0.000 2.725 203 R HA 0.510 4.852 4.340 0.003 0.000 0.277 203 R C -2.915 173.294 176.300 -0.153 0.000 0.987 203 R CA -1.776 54.245 56.100 -0.133 0.000 0.901 203 R CB 1.285 31.493 30.300 -0.153 0.000 1.207 203 R HN 0.702 nan 8.270 nan 0.000 0.463 204 P HA 0.107 nan 4.420 nan 0.000 0.271 204 P C -0.143 176.968 177.300 -0.315 0.000 1.216 204 P CA -0.334 62.582 63.100 -0.307 0.000 0.776 204 P CB 0.695 31.989 31.700 -0.677 0.000 0.881 205 V N 4.035 123.846 119.914 -0.172 0.000 2.521 205 V HA 0.027 4.149 4.120 0.003 0.000 0.286 205 V C 0.807 176.816 176.094 -0.141 0.000 1.034 205 V CA -0.008 62.229 62.300 -0.104 0.000 1.045 205 V CB 0.116 31.934 31.823 -0.008 0.000 0.974 205 V HN 0.347 nan 8.190 nan 0.000 0.480 206 L N 5.483 126.612 121.223 -0.157 0.000 2.265 206 L HA 0.812 5.154 4.340 0.003 0.000 0.289 206 L C 0.576 177.480 176.870 0.057 0.000 1.033 206 L CA -0.059 54.661 54.840 -0.200 0.000 0.814 206 L CB 1.016 42.657 42.059 -0.697 0.000 1.203 206 L HN 0.931 nan 8.230 nan 0.000 0.423 207 G N 1.279 110.188 108.800 0.181 0.000 2.640 207 G HA2 0.316 4.277 3.960 0.003 0.000 0.686 207 G HA3 0.316 4.277 3.960 0.003 0.000 0.686 207 G C 0.262 175.263 174.900 0.168 0.000 1.229 207 G CA -0.301 44.934 45.100 0.225 0.000 0.796 207 G HN 1.050 nan 8.290 nan 0.000 0.654 208 G N -1.279 107.608 108.800 0.147 0.000 2.159 208 G HA2 0.259 4.221 3.960 0.003 0.000 0.256 208 G HA3 0.259 4.221 3.960 0.003 0.000 0.256 208 G C 0.779 175.742 174.900 0.105 0.000 0.977 208 G CA 1.558 46.719 45.100 0.102 0.000 0.652 208 G HN 2.806 nan 8.290 nan 0.000 0.531 209 S N -1.543 114.241 115.700 0.139 0.000 2.588 209 S HA 0.762 5.234 4.470 0.003 0.000 0.275 209 S C 1.097 175.760 174.600 0.106 0.000 1.130 209 S CA 0.693 58.961 58.200 0.113 0.000 0.855 209 S CB 1.530 64.810 63.200 0.133 0.000 1.116 209 S HN 1.367 nan 8.310 nan 0.000 0.472 210 S N 0.544 116.277 115.700 0.055 0.000 2.461 210 S HA -0.037 4.435 4.470 0.003 0.000 0.228 210 S C 1.454 176.046 174.600 -0.014 0.000 1.005 210 S CA 1.240 59.463 58.200 0.039 0.000 0.942 210 S CB -1.086 62.125 63.200 0.018 0.000 0.776 210 S HN 0.761 nan 8.310 nan 0.000 0.514 211 T N 1.258 115.751 114.554 -0.101 0.000 2.812 211 T HA 0.164 4.515 4.350 0.003 0.000 0.264 211 T C -0.179 174.228 174.700 -0.488 0.000 1.042 211 T CA 0.897 62.780 62.100 -0.363 0.000 1.140 211 T CB -0.317 68.232 68.868 -0.532 0.000 0.870 211 T HN 0.468 nan 8.240 nan 0.000 0.445 212 F N 2.522 122.533 119.950 0.102 0.000 2.550 212 F HA 0.364 4.892 4.527 0.003 0.000 0.348 212 F C -2.489 173.413 175.800 0.170 0.000 1.219 212 F CA -3.394 54.675 58.000 0.115 0.000 1.203 212 F CB 0.919 39.950 39.000 0.051 0.000 1.436 212 F HN -0.083 nan 8.300 nan 0.000 0.541 213 P HA 0.193 nan 4.420 nan 0.000 0.274 213 P C -1.156 176.491 177.300 0.578 0.000 1.231 213 P CA -0.025 63.344 63.100 0.448 0.000 0.790 213 P CB 1.806 33.769 31.700 0.438 0.000 0.951 214 Y N 0.727 121.116 120.300 0.149 0.000 2.583 214 Y HA 0.287 4.838 4.550 0.003 0.000 0.330 214 Y C -2.651 172.961 175.900 -0.479 0.000 1.185 214 Y CA -1.921 55.934 58.100 -0.409 0.000 1.107 214 Y CB 1.481 39.809 38.460 -0.220 0.000 1.344 214 Y HN 0.268 nan 8.280 nan 0.000 0.463 215 P HA 0.212 nan 4.420 nan 0.000 0.269 215 P C -0.646 176.528 177.300 -0.209 0.000 1.215 215 P CA -0.136 62.522 63.100 -0.737 0.000 0.780 215 P CB 0.569 31.715 31.700 -0.923 0.000 0.898 216 R N 2.114 122.505 120.500 -0.182 0.000 2.583 216 R HA 0.477 4.818 4.340 0.003 0.000 0.268 216 R C 0.713 177.050 176.300 0.060 0.000 1.101 216 R CA -0.327 55.793 56.100 0.033 0.000 1.180 216 R CB 0.481 30.799 30.300 0.029 0.000 1.128 216 R HN 0.613 nan 8.270 nan 0.000 0.568 217 R N -1.465 119.026 120.500 -0.016 0.000 2.950 217 R HA 0.565 4.907 4.340 0.003 0.000 0.253 217 R C -0.133 176.109 176.300 -0.098 0.000 1.168 217 R CA -0.798 55.229 56.100 -0.121 0.000 1.014 217 R CB -0.278 29.738 30.300 -0.473 0.000 1.228 217 R HN 0.597 nan 8.270 nan 0.000 0.487 218 G N 0.602 109.339 108.800 -0.105 0.000 2.365 218 G HA2 0.189 4.151 3.960 0.003 0.000 0.249 218 G HA3 0.189 4.151 3.960 0.003 0.000 0.249 218 G C -0.625 174.228 174.900 -0.079 0.000 1.288 218 G CA -0.526 44.515 45.100 -0.099 0.000 0.887 218 G HN 0.563 nan 8.290 nan 0.000 0.524 219 R N 1.074 121.535 120.500 -0.065 0.000 2.537 219 R HA 0.197 4.539 4.340 0.003 0.000 0.280 219 R C 1.345 177.621 176.300 -0.040 0.000 1.058 219 R CA 0.679 56.741 56.100 -0.063 0.000 1.057 219 R CB 0.466 30.730 30.300 -0.061 0.000 0.973 219 R HN 0.613 nan 8.270 nan 0.000 0.438 220 T N 0.165 114.657 114.554 -0.103 0.000 2.964 220 T HA 0.179 4.530 4.350 0.003 0.000 0.249 220 T C 1.244 175.800 174.700 -0.241 0.000 1.000 220 T CA 0.334 62.349 62.100 -0.143 0.000 0.992 220 T CB 0.346 69.113 68.868 -0.168 0.000 1.087 220 T HN 0.753 nan 8.240 nan 0.000 0.489 221 G N 2.462 111.144 108.800 -0.197 0.000 2.249 221 G HA2 -0.323 3.639 3.960 0.003 0.000 0.273 221 G HA3 -0.323 3.639 3.960 0.003 0.000 0.273 221 G C 0.830 175.620 174.900 -0.183 0.000 1.036 221 G CA 0.469 45.459 45.100 -0.182 0.000 0.824 221 G HN 0.560 nan 8.290 nan 0.000 0.504 222 R N 0.054 120.436 120.500 -0.196 0.000 2.237 222 R HA 0.314 4.656 4.340 0.003 0.000 0.219 222 R C 1.689 177.907 176.300 -0.136 0.000 1.080 222 R CA 0.892 56.885 56.100 -0.178 0.000 0.995 222 R CB -0.067 30.107 30.300 -0.210 0.000 0.875 222 R HN 1.630 nan 8.270 nan 0.000 0.462 223 G N 1.067 109.792 108.800 -0.125 0.000 2.663 223 G HA2 -0.161 3.801 3.960 0.003 0.000 0.686 223 G HA3 -0.161 3.801 3.960 0.003 0.000 0.686 223 G C -2.878 171.970 174.900 -0.086 0.000 1.288 223 G CA -1.018 44.025 45.100 -0.095 0.000 0.836 223 G HN -0.039 nan 8.290 nan 0.000 0.584 224 P HA 0.370 nan 4.420 nan 0.000 0.274 224 P C 0.846 178.114 177.300 -0.053 0.000 1.237 224 P CA 0.478 63.544 63.100 -0.057 0.000 0.793 224 P CB 0.738 32.411 31.700 -0.044 0.000 0.977 225 T N -1.826 112.699 114.554 -0.048 0.000 2.766 225 T HA 0.113 4.465 4.350 0.003 0.000 0.295 225 T C 1.499 176.179 174.700 -0.033 0.000 1.024 225 T CA -0.569 61.507 62.100 -0.041 0.000 1.018 225 T CB -0.171 68.675 68.868 -0.037 0.000 1.002 225 T HN 0.114 nan 8.240 nan 0.000 0.532 226 V N 1.431 121.328 119.914 -0.029 0.000 2.453 226 V HA -0.092 4.030 4.120 0.003 0.000 0.247 226 V C 3.040 179.121 176.094 -0.021 0.000 1.048 226 V CA 2.132 64.418 62.300 -0.024 0.000 1.049 226 V CB -1.259 30.551 31.823 -0.022 0.000 0.672 226 V HN 1.165 nan 8.190 nan 0.000 0.457 227 T N -2.878 111.664 114.554 -0.021 0.000 3.067 227 T HA 0.019 4.370 4.350 0.003 0.000 0.257 227 T C 0.453 175.142 174.700 -0.017 0.000 1.105 227 T CA 0.664 62.753 62.100 -0.018 0.000 1.104 227 T CB 0.092 68.950 68.868 -0.017 0.000 0.925 227 T HN 0.409 nan 8.240 nan 0.000 0.498 228 D N 1.447 121.835 120.400 -0.021 0.000 2.479 228 D HA 0.308 4.950 4.640 0.003 0.000 0.246 228 D C -2.190 174.096 176.300 -0.023 0.000 1.336 228 D CA -2.346 51.642 54.000 -0.020 0.000 0.967 228 D CB 2.206 42.993 40.800 -0.021 0.000 1.275 228 D HN -0.137 nan 8.370 nan 0.000 0.577 229 P HA -0.071 nan 4.420 nan 0.000 0.225 229 P C 0.219 177.505 177.300 -0.023 0.000 1.148 229 P CA 0.778 63.865 63.100 -0.022 0.000 0.779 229 P CB 0.311 32.001 31.700 -0.017 0.000 0.780 230 N N -1.277 117.412 118.700 -0.019 0.000 2.336 230 N HA 0.040 4.782 4.740 0.003 0.000 0.189 230 N C -0.097 175.397 175.510 -0.026 0.000 1.113 230 N CA 0.184 53.224 53.050 -0.016 0.000 0.858 230 N CB 0.215 38.699 38.487 -0.004 0.000 0.970 230 N HN 0.035 nan 8.380 nan 0.000 0.471 231 T N 0.349 114.883 114.554 -0.034 0.000 2.823 231 T HA 0.154 4.505 4.350 0.003 0.000 0.279 231 T C -0.497 174.169 174.700 -0.057 0.000 0.998 231 T CA -0.598 61.476 62.100 -0.043 0.000 0.994 231 T CB 2.399 71.243 68.868 -0.040 0.000 0.960 231 T HN 0.032 nan 8.240 nan 0.000 0.448 232 E N 2.831 122.986 120.200 -0.075 0.000 2.316 232 E HA 0.174 4.526 4.350 0.003 0.000 0.275 232 E C 0.269 176.806 176.600 -0.105 0.000 1.029 232 E CA -0.749 55.589 56.400 -0.105 0.000 0.871 232 E CB 0.555 30.166 29.700 -0.149 0.000 1.022 232 E HN 0.537 nan 8.360 nan 0.000 0.418 233 K N 3.698 124.037 120.400 -0.102 0.000 2.336 233 K HA 0.019 4.341 4.320 0.003 0.000 0.262 233 K C -0.018 176.519 176.600 -0.104 0.000 0.992 233 K CA -0.452 55.784 56.287 -0.085 0.000 0.927 233 K CB 0.503 32.957 32.500 -0.077 0.000 0.956 233 K HN 0.359 nan 8.250 nan 0.000 0.495 234 Q N 0.071 119.841 119.800 -0.049 0.000 2.454 234 Q HA 0.244 4.585 4.340 0.003 0.000 0.247 234 Q C 0.144 176.133 176.000 -0.018 0.000 1.028 234 Q CA 0.408 56.213 55.803 0.002 0.000 0.910 234 Q CB 1.334 30.093 28.738 0.035 0.000 1.276 234 Q HN 0.878 nan 8.270 nan 0.000 0.489 235 G N 0.302 109.147 108.800 0.075 0.000 2.706 235 G HA2 0.306 4.268 3.960 0.003 0.000 0.297 235 G HA3 0.306 4.268 3.960 0.003 0.000 0.297 235 G C -0.089 174.921 174.900 0.184 0.000 1.403 235 G CA -0.519 44.616 45.100 0.057 0.000 0.954 235 G HN 0.540 nan 8.290 nan 0.000 0.500 236 E N -0.645 119.614 120.200 0.098 0.000 2.150 236 E HA -0.003 4.348 4.350 0.003 0.000 0.193 236 E C 0.391 177.061 176.600 0.118 0.000 0.985 236 E CA 0.867 57.318 56.400 0.084 0.000 0.814 236 E CB 0.302 30.024 29.700 0.036 0.000 0.752 236 E HN 0.165 nan 8.360 nan 0.000 0.466 237 V N 1.483 121.486 119.914 0.149 0.000 2.531 237 V HA 0.190 4.312 4.120 0.003 0.000 0.301 237 V C -1.030 175.238 176.094 0.290 0.000 1.034 237 V CA -0.703 61.698 62.300 0.170 0.000 0.865 237 V CB 1.351 33.217 31.823 0.072 0.000 0.995 237 V HN 0.006 nan 8.190 nan 0.000 0.424 238 F N 4.734 124.670 119.950 -0.023 0.000 2.390 238 F HA 0.374 4.902 4.527 0.003 0.000 0.361 238 F C 0.188 175.987 175.800 -0.003 0.000 1.124 238 F CA -1.131 56.860 58.000 -0.015 0.000 1.149 238 F CB 0.357 39.337 39.000 -0.032 0.000 1.160 238 F HN 0.582 nan 8.300 nan 0.000 0.501 239 Y N 4.867 125.155 120.300 -0.019 0.000 2.702 239 Y HA 0.408 4.959 4.550 0.003 0.000 0.336 239 Y C -0.438 175.408 175.900 -0.090 0.000 1.235 239 Y CA -0.578 57.469 58.100 -0.088 0.000 1.492 239 Y CB 0.565 38.925 38.460 -0.166 0.000 1.308 239 Y HN 0.356 nan 8.280 nan 0.000 0.589 240 V N 3.259 122.568 119.914 -1.008 0.000 2.925 240 V HA 0.610 4.732 4.120 0.003 0.000 0.311 240 V C -2.922 172.269 176.094 -1.505 0.000 1.104 240 V CA -3.075 58.595 62.300 -1.051 0.000 0.954 240 V CB 1.637 33.197 31.823 -0.438 0.000 1.022 240 V HN 0.694 nan 8.190 nan 0.000 0.427 241 P HA 0.114 nan 4.420 nan 0.000 0.263 241 P C 0.572 177.626 177.300 -0.410 0.000 1.175 241 P CA 0.237 62.865 63.100 -0.787 0.000 0.761 241 P CB 0.519 31.531 31.700 -1.147 0.000 0.794 242 R N 3.693 124.099 120.500 -0.156 0.000 2.134 242 R HA -0.217 4.125 4.340 0.003 0.000 0.248 242 R C 1.043 177.428 176.300 0.142 0.000 1.143 242 R CA 2.125 58.228 56.100 0.006 0.000 0.957 242 R CB -1.157 29.236 30.300 0.156 0.000 0.867 242 R HN 0.453 nan 8.270 nan 0.000 0.441 243 D N 0.159 120.697 120.400 0.230 0.000 2.378 243 D HA -0.068 4.573 4.640 0.003 0.000 0.227 243 D C 1.027 177.455 176.300 0.212 0.000 1.012 243 D CA 0.484 54.689 54.000 0.342 0.000 0.905 243 D CB 0.080 41.110 40.800 0.384 0.000 0.895 243 D HN 0.344 nan 8.370 nan 0.000 0.532 244 E N 0.358 120.602 120.200 0.074 0.000 2.371 244 E HA -0.052 4.300 4.350 0.003 0.000 0.194 244 E C 0.607 177.221 176.600 0.024 0.000 1.012 244 E CA 0.127 56.549 56.400 0.037 0.000 0.860 244 E CB -0.159 29.500 29.700 -0.067 0.000 0.811 244 E HN 0.111 nan 8.360 nan 0.000 0.502 245 N N 1.576 120.283 118.700 0.012 0.000 2.521 245 N HA 0.054 4.795 4.740 0.003 0.000 0.236 245 N C -0.649 174.880 175.510 0.032 0.000 1.067 245 N CA -0.061 52.987 53.050 -0.003 0.000 0.939 245 N CB 0.017 38.469 38.487 -0.058 0.000 1.201 245 N HN -0.051 nan 8.380 nan 0.000 0.511 246 L N 2.177 123.402 121.223 0.002 0.000 2.477 246 L HA 0.275 4.617 4.340 0.003 0.000 0.272 246 L C 1.456 178.159 176.870 -0.278 0.000 1.157 246 L CA -0.554 54.213 54.840 -0.121 0.000 0.889 246 L CB 0.112 42.070 42.059 -0.169 0.000 1.158 246 L HN 0.444 nan 8.230 nan 0.000 0.473 247 G N 2.703 111.361 108.800 -0.236 0.000 2.504 247 G HA2 0.435 4.397 3.960 0.003 0.000 0.288 247 G HA3 0.435 4.397 3.960 0.003 0.000 0.288 247 G C -0.605 174.008 174.900 -0.479 0.000 1.182 247 G CA -0.360 44.633 45.100 -0.179 0.000 0.894 247 G HN 0.654 nan 8.290 nan 0.000 0.521 248 H N 0.518 119.610 119.070 0.036 0.000 2.806 248 H HA 0.234 4.792 4.556 0.003 0.000 0.367 248 H C 0.737 176.085 175.328 0.033 0.000 1.136 248 H CA -0.604 55.460 56.048 0.026 0.000 1.178 248 H CB 2.362 32.143 29.762 0.032 0.000 1.718 248 H HN 0.259 nan 8.280 nan 0.000 0.540 249 L N 0.732 122.038 121.223 0.139 0.000 2.093 249 L HA -0.037 4.305 4.340 0.003 0.000 0.208 249 L C 0.429 177.359 176.870 0.099 0.000 1.085 249 L CA 1.439 56.338 54.840 0.098 0.000 0.755 249 L CB -0.053 42.050 42.059 0.074 0.000 0.904 249 L HN 0.226 nan 8.230 nan 0.000 0.435 250 K N -0.836 119.629 120.400 0.108 0.000 2.235 250 K HA 0.174 4.496 4.320 0.003 0.000 0.266 250 K C 0.809 177.446 176.600 0.061 0.000 0.980 250 K CA -0.192 56.137 56.287 0.070 0.000 0.849 250 K CB 2.099 34.628 32.500 0.048 0.000 1.098 250 K HN -0.257 nan 8.250 nan 0.000 0.445 251 S N 2.806 118.533 115.700 0.046 0.000 2.400 251 S HA -0.159 4.313 4.470 0.003 0.000 0.232 251 S C 1.561 176.150 174.600 -0.018 0.000 1.025 251 S CA 1.547 59.765 58.200 0.029 0.000 0.993 251 S CB -0.015 63.201 63.200 0.027 0.000 0.808 251 S HN 0.677 nan 8.310 nan 0.000 0.478 252 K N -0.094 120.294 120.400 -0.019 0.000 2.360 252 K HA -0.046 4.276 4.320 0.003 0.000 0.201 252 K C 0.661 177.213 176.600 -0.080 0.000 1.046 252 K CA 1.453 57.717 56.287 -0.039 0.000 0.945 252 K CB -0.184 32.304 32.500 -0.020 0.000 0.750 252 K HN 0.199 nan 8.250 nan 0.000 0.464 253 D N 1.251 121.576 120.400 -0.125 0.000 2.340 253 D HA 0.071 4.713 4.640 0.003 0.000 0.220 253 D C 0.297 176.217 176.300 -0.632 0.000 1.039 253 D CA 0.335 54.180 54.000 -0.258 0.000 0.866 253 D CB 0.515 41.215 40.800 -0.166 0.000 0.913 253 D HN 0.365 nan 8.370 nan 0.000 0.523 254 A N 0.919 123.459 122.820 -0.466 0.000 3.117 254 A HA 0.176 4.497 4.320 0.003 0.000 0.255 254 A C 1.680 179.173 177.584 -0.152 0.000 1.583 254 A CA -0.195 51.616 52.037 -0.376 0.000 1.234 254 A CB -0.961 18.018 19.000 -0.035 0.000 1.076 254 A HN 0.175 nan 8.150 nan 0.000 0.653 255 L N 0.261 121.394 121.223 -0.150 0.000 2.081 255 L HA -0.234 4.107 4.340 0.003 0.000 0.212 255 L C 2.790 179.664 176.870 0.007 0.000 1.080 255 L CA 1.711 56.527 54.840 -0.041 0.000 0.754 255 L CB -0.405 41.654 42.059 0.001 0.000 0.893 255 L HN 0.760 nan 8.230 nan 0.000 0.433 256 E N 1.529 121.749 120.200 0.033 0.000 2.267 256 E HA -0.244 4.107 4.350 0.003 0.000 0.197 256 E C 1.917 178.532 176.600 0.026 0.000 0.998 256 E CA 1.736 58.169 56.400 0.055 0.000 0.830 256 E CB -0.556 29.199 29.700 0.091 0.000 0.751 256 E HN 0.809 nan 8.360 nan 0.000 0.491 257 I N -2.012 118.567 120.570 0.014 0.000 3.251 257 I HA 0.230 4.401 4.170 0.003 0.000 0.277 257 I C 2.155 178.265 176.117 -0.011 0.000 1.268 257 I CA 0.702 62.001 61.300 -0.001 0.000 1.449 257 I CB -0.307 37.695 38.000 0.004 0.000 1.083 257 I HN -0.045 nan 8.210 nan 0.000 0.464 258 G N 2.113 110.909 108.800 -0.007 0.000 2.440 258 G HA2 -0.308 3.654 3.960 0.003 0.000 0.218 258 G HA3 -0.308 3.654 3.960 0.003 0.000 0.218 258 G C 1.744 176.642 174.900 -0.003 0.000 1.154 258 G CA 1.726 46.822 45.100 -0.006 0.000 0.767 258 G HN 0.549 nan 8.290 nan 0.000 0.552 259 T N -0.872 113.678 114.554 -0.006 0.000 2.788 259 T HA -0.043 4.309 4.350 0.003 0.000 0.268 259 T C 2.130 176.808 174.700 -0.038 0.000 1.044 259 T CA 1.668 63.759 62.100 -0.016 0.000 1.139 259 T CB -0.169 68.679 68.868 -0.033 0.000 0.867 259 T HN 0.383 nan 8.240 nan 0.000 0.454 260 K N 0.962 121.331 120.400 -0.052 0.000 2.026 260 K HA -0.053 4.268 4.320 0.003 0.000 0.208 260 K C 2.599 179.170 176.600 -0.048 0.000 1.048 260 K CA 1.442 57.688 56.287 -0.068 0.000 0.929 260 K CB -0.275 32.180 32.500 -0.074 0.000 0.713 260 K HN 0.343 nan 8.250 nan 0.000 0.439 261 S N 1.208 116.888 115.700 -0.034 0.000 2.368 261 S HA -0.135 4.337 4.470 0.003 0.000 0.224 261 S C 1.733 176.314 174.600 -0.031 0.000 1.029 261 S CA 1.005 59.186 58.200 -0.031 0.000 0.988 261 S CB -0.254 62.932 63.200 -0.024 0.000 0.838 261 S HN 0.252 nan 8.310 nan 0.000 0.462 262 L N 1.478 122.694 121.223 -0.012 0.000 2.017 262 L HA -0.042 4.300 4.340 0.003 0.000 0.208 262 L C 2.473 179.341 176.870 -0.004 0.000 1.073 262 L CA 1.882 56.727 54.840 0.008 0.000 0.745 262 L CB -0.929 41.162 42.059 0.053 0.000 0.894 262 L HN 0.271 nan 8.230 nan 0.000 0.432 263 S N -1.445 114.246 115.700 -0.015 0.000 2.368 263 S HA -0.191 4.281 4.470 0.003 0.000 0.224 263 S C 1.900 176.480 174.600 -0.034 0.000 1.029 263 S CA 1.454 59.640 58.200 -0.023 0.000 0.988 263 S CB -0.146 63.027 63.200 -0.046 0.000 0.838 263 S HN 0.658 nan 8.310 nan 0.000 0.462 264 Q N -0.585 119.189 119.800 -0.043 0.000 2.269 264 Q HA 0.205 4.547 4.340 0.003 0.000 0.201 264 Q C 1.733 177.706 176.000 -0.046 0.000 0.946 264 Q CA 1.035 56.812 55.803 -0.043 0.000 0.877 264 Q CB 0.148 28.859 28.738 -0.045 0.000 0.963 264 Q HN 0.575 nan 8.270 nan 0.000 0.472 265 I N -1.521 119.016 120.570 -0.056 0.000 3.570 265 I HA -0.064 4.108 4.170 0.003 0.000 0.270 265 I C 1.860 177.907 176.117 -0.117 0.000 1.162 265 I CA 0.192 61.449 61.300 -0.071 0.000 1.413 265 I CB 0.246 38.208 38.000 -0.064 0.000 1.437 265 I HN -0.109 nan 8.210 nan 0.000 0.457 266 V N 0.946 120.771 119.914 -0.149 0.000 2.307 266 V HA -0.267 3.854 4.120 0.003 0.000 0.245 266 V C 2.440 178.324 176.094 -0.350 0.000 1.045 266 V CA 1.975 64.088 62.300 -0.313 0.000 1.024 266 V CB -0.717 30.933 31.823 -0.290 0.000 0.651 266 V HN 0.450 nan 8.190 nan 0.000 0.449 267 Q N 0.082 119.811 119.800 -0.118 0.000 2.045 267 Q HA -0.223 4.118 4.340 0.003 0.000 0.206 267 Q C -0.028 175.985 176.000 0.023 0.000 0.991 267 Q CA 2.518 58.335 55.803 0.023 0.000 0.851 267 Q CB -0.977 27.787 28.738 0.044 0.000 0.911 267 Q HN 0.482 nan 8.270 nan 0.000 0.418 268 P HA -0.136 nan 4.420 nan 0.000 0.216 268 P C 0.674 177.981 177.300 0.011 0.000 1.150 268 P CA 2.020 65.120 63.100 -0.000 0.000 0.837 268 P CB -0.180 31.508 31.700 -0.020 0.000 0.786 269 A N -1.332 121.456 122.820 -0.054 0.000 1.902 269 A HA -0.197 4.125 4.320 0.003 0.000 0.217 269 A C 1.931 179.565 177.584 0.083 0.000 1.181 269 A CA 1.452 53.459 52.037 -0.050 0.000 0.623 269 A CB -1.741 17.157 19.000 -0.170 0.000 0.818 269 A HN 0.036 nan 8.150 nan 0.000 0.443 270 F N 0.417 120.409 119.950 0.071 0.000 2.102 270 F HA -0.106 4.422 4.527 0.003 0.000 0.298 270 F C 2.400 178.334 175.800 0.223 0.000 1.105 270 F CA 1.326 59.414 58.000 0.147 0.000 1.239 270 F CB -1.035 38.030 39.000 0.109 0.000 0.991 270 F HN 0.360 nan 8.300 nan 0.000 0.474 271 E N -0.119 120.259 120.200 0.296 0.000 2.118 271 E HA -0.212 4.139 4.350 0.003 0.000 0.195 271 E C 2.320 179.049 176.600 0.215 0.000 0.992 271 E CA 1.718 58.230 56.400 0.187 0.000 0.804 271 E CB -0.318 29.429 29.700 0.077 0.000 0.741 271 E HN 0.424 nan 8.360 nan 0.000 0.458 272 S N 0.983 116.783 115.700 0.167 0.000 2.383 272 S HA -0.097 4.374 4.470 0.003 0.000 0.227 272 S C 2.272 176.952 174.600 0.133 0.000 1.026 272 S CA 0.850 59.121 58.200 0.119 0.000 0.981 272 S CB -0.208 63.036 63.200 0.073 0.000 0.818 272 S HN 0.286 nan 8.310 nan 0.000 0.472 273 A N 0.752 123.678 122.820 0.177 0.000 1.978 273 A HA 0.106 4.427 4.320 0.003 0.000 0.220 273 A C 1.858 179.431 177.584 -0.018 0.000 1.170 273 A CA 1.351 53.435 52.037 0.078 0.000 0.636 273 A CB -0.931 18.121 19.000 0.086 0.000 0.810 273 A HN 0.558 nan 8.150 nan 0.000 0.448 274 F N 0.204 120.165 119.950 0.019 0.000 2.219 274 F HA -0.030 4.498 4.527 0.003 0.000 0.294 274 F C 2.004 177.800 175.800 -0.006 0.000 1.086 274 F CA 1.232 59.226 58.000 -0.010 0.000 1.330 274 F CB -0.247 38.737 39.000 -0.028 0.000 1.047 274 F HN 0.161 nan 8.300 nan 0.000 0.495 275 D N 0.271 120.783 120.400 0.186 0.000 2.178 275 D HA -0.103 4.539 4.640 0.003 0.000 0.201 275 D C 2.092 178.425 176.300 0.056 0.000 0.980 275 D CA 1.164 55.224 54.000 0.100 0.000 0.842 275 D CB -0.307 40.541 40.800 0.079 0.000 0.948 275 D HN 0.260 nan 8.370 nan 0.000 0.472 276 L N 0.046 121.295 121.223 0.042 0.000 2.591 276 L HA 0.093 4.435 4.340 0.003 0.000 0.228 276 L C 0.310 177.174 176.870 -0.011 0.000 1.133 276 L CA 0.056 54.904 54.840 0.014 0.000 0.880 276 L CB -0.215 41.852 42.059 0.012 0.000 1.033 276 L HN -0.078 nan 8.230 nan 0.000 0.450 277 K N -0.427 119.959 120.400 -0.024 0.000 3.096 277 K HA -0.178 4.144 4.320 0.003 0.000 0.266 277 K C 0.837 177.385 176.600 -0.087 0.000 1.043 277 K CA 0.462 56.715 56.287 -0.057 0.000 0.758 277 K CB -1.916 30.569 32.500 -0.026 0.000 1.260 277 K HN 0.245 nan 8.250 nan 0.000 0.481 278 S N -0.545 115.082 115.700 -0.121 0.000 2.548 278 S HA 0.005 4.477 4.470 0.003 0.000 0.215 278 S C 0.620 175.118 174.600 -0.169 0.000 0.976 278 S CA 0.427 58.559 58.200 -0.113 0.000 0.908 278 S CB 0.834 63.988 63.200 -0.077 0.000 0.781 278 S HN 0.498 nan 8.310 nan 0.000 0.519 279 T N 2.094 116.480 114.554 -0.280 0.000 2.923 279 T HA 0.443 4.794 4.350 0.003 0.000 0.311 279 T C -3.174 171.324 174.700 -0.338 0.000 1.183 279 T CA -1.870 60.034 62.100 -0.327 0.000 1.020 279 T CB 1.228 69.806 68.868 -0.484 0.000 1.165 279 T HN -0.254 nan 8.240 nan 0.000 0.482 280 P HA 0.166 nan 4.420 nan 0.000 0.266 280 P C 0.939 178.158 177.300 -0.136 0.000 1.195 280 P CA -0.387 62.660 63.100 -0.088 0.000 0.768 280 P CB 0.343 32.066 31.700 0.039 0.000 0.838 281 I N 0.300 120.863 120.570 -0.011 0.000 2.439 281 I HA -0.039 4.133 4.170 0.003 0.000 0.251 281 I C 1.035 177.162 176.117 0.017 0.000 1.139 281 I CA 1.627 63.001 61.300 0.122 0.000 1.438 281 I CB -0.851 37.221 38.000 0.120 0.000 1.085 281 I HN 0.389 nan 8.210 nan 0.000 0.427 282 E N -0.051 120.064 120.200 -0.143 0.000 2.299 282 E HA 0.385 4.737 4.350 0.003 0.000 0.265 282 E C -1.091 175.206 176.600 -0.505 0.000 0.911 282 E CA -0.891 55.305 56.400 -0.341 0.000 0.789 282 E CB 2.097 31.606 29.700 -0.319 0.000 1.246 282 E HN -0.169 nan 8.360 nan 0.000 0.427 283 F N 1.230 121.001 119.950 -0.299 0.000 2.429 283 F HA 0.119 4.648 4.527 0.003 0.000 0.348 283 F C 1.869 177.415 175.800 -0.422 0.000 1.109 283 F CA 0.148 58.000 58.000 -0.248 0.000 1.232 283 F CB 0.492 39.423 39.000 -0.116 0.000 1.157 283 F HN 0.424 nan 8.300 nan 0.000 0.564 284 H N -0.340 118.852 119.070 0.203 0.000 2.885 284 H HA 0.208 4.766 4.556 0.003 0.000 0.260 284 H C 0.267 175.623 175.328 0.048 0.000 0.985 284 H CA 0.631 56.737 56.048 0.097 0.000 1.210 284 H CB 0.772 30.565 29.762 0.051 0.000 1.466 284 H HN 0.500 nan 8.280 nan 0.000 0.493 285 S N -1.015 114.764 115.700 0.132 0.000 2.607 285 S HA 0.222 4.694 4.470 0.003 0.000 0.273 285 S C 0.235 174.895 174.600 0.100 0.000 1.148 285 S CA -0.738 57.480 58.200 0.030 0.000 0.833 285 S CB 0.827 64.037 63.200 0.016 0.000 1.130 285 S HN -0.179 nan 8.310 nan 0.000 0.470 286 F N 1.271 121.161 119.950 -0.100 0.000 2.171 286 F HA 0.001 4.530 4.527 0.003 0.000 0.300 286 F C 2.726 178.380 175.800 -0.243 0.000 1.090 286 F CA 1.554 59.434 58.000 -0.200 0.000 1.293 286 F CB -1.197 37.781 39.000 -0.037 0.000 1.013 286 F HN 0.734 nan 8.300 nan 0.000 0.486 287 Q N 0.848 120.756 119.800 0.180 0.000 2.226 287 Q HA -0.173 4.168 4.340 0.003 0.000 0.204 287 Q C 1.505 177.507 176.000 0.003 0.000 0.975 287 Q CA 1.683 57.582 55.803 0.160 0.000 0.866 287 Q CB -0.485 28.332 28.738 0.133 0.000 0.915 287 Q HN 0.246 nan 8.270 nan 0.000 0.440 288 D N -1.110 119.280 120.400 -0.017 0.000 2.178 288 D HA -0.111 4.531 4.640 0.003 0.000 0.201 288 D C 1.694 177.884 176.300 -0.184 0.000 0.980 288 D CA 1.108 55.112 54.000 0.007 0.000 0.842 288 D CB 0.078 40.986 40.800 0.179 0.000 0.948 288 D HN 0.190 nan 8.370 nan 0.000 0.472 289 V N 1.036 120.637 119.914 -0.522 0.000 2.346 289 V HA -0.172 3.949 4.120 0.003 0.000 0.244 289 V C 2.198 177.969 176.094 -0.538 0.000 1.037 289 V CA 1.242 63.064 62.300 -0.796 0.000 1.029 289 V CB -0.512 30.688 31.823 -1.038 0.000 0.663 289 V HN 0.266 nan 8.190 nan 0.000 0.454 290 H N 0.152 119.013 119.070 -0.348 0.000 2.422 290 H HA -0.147 4.411 4.556 0.003 0.000 0.298 290 H C 2.152 177.026 175.328 -0.756 0.000 1.098 290 H CA 1.594 57.299 56.048 -0.572 0.000 1.315 290 H CB -0.360 29.249 29.762 -0.255 0.000 1.382 290 H HN 0.429 nan 8.280 nan 0.000 0.523 291 D N 0.754 121.000 120.400 -0.257 0.000 2.182 291 D HA -0.117 4.525 4.640 0.003 0.000 0.201 291 D C 2.407 178.614 176.300 -0.155 0.000 0.986 291 D CA 0.351 54.252 54.000 -0.165 0.000 0.847 291 D CB -0.278 40.496 40.800 -0.043 0.000 0.942 291 D HN 0.331 nan 8.370 nan 0.000 0.467 292 L N 0.022 121.152 121.223 -0.154 0.000 2.129 292 L HA -0.206 4.136 4.340 0.003 0.000 0.212 292 L C 1.869 178.868 176.870 0.216 0.000 1.087 292 L CA 1.173 56.059 54.840 0.077 0.000 0.757 292 L CB -0.537 41.554 42.059 0.052 0.000 0.896 292 L HN 0.258 nan 8.230 nan 0.000 0.434 293 Y N -2.908 117.509 120.300 0.195 0.000 2.531 293 Y HA 0.391 4.943 4.550 0.003 0.000 0.249 293 Y C 1.356 177.341 175.900 0.142 0.000 1.168 293 Y CA -0.761 57.465 58.100 0.211 0.000 1.226 293 Y CB -0.495 38.080 38.460 0.191 0.000 1.177 293 Y HN 0.071 nan 8.280 nan 0.000 0.527 294 E N 0.869 121.047 120.200 -0.037 0.000 2.933 294 E HA 0.247 4.599 4.350 0.003 0.000 0.301 294 E C 1.933 178.562 176.600 0.048 0.000 0.836 294 E CA 0.214 56.624 56.400 0.018 0.000 1.213 294 E CB -0.437 29.218 29.700 -0.074 0.000 2.349 294 E HN 0.294 nan 8.360 nan 0.000 0.558 295 G N 0.141 108.954 108.800 0.022 0.000 2.484 295 G HA2 0.275 4.237 3.960 0.003 0.000 0.218 295 G HA3 0.275 4.237 3.960 0.003 0.000 0.218 295 G C 0.693 175.628 174.900 0.057 0.000 1.130 295 G CA 0.634 45.756 45.100 0.038 0.000 0.784 295 G HN 0.592 nan 8.290 nan 0.000 0.543 296 G N -0.777 108.065 108.800 0.070 0.000 2.582 296 G HA2 -0.078 3.884 3.960 0.003 0.000 0.222 296 G HA3 -0.078 3.884 3.960 0.003 0.000 0.222 296 G C -0.698 174.261 174.900 0.098 0.000 1.311 296 G CA -0.229 44.938 45.100 0.112 0.000 0.915 296 G HN 0.836 nan 8.290 nan 0.000 0.528 297 I N -0.029 120.607 120.570 0.111 0.000 2.509 297 I HA 0.630 4.802 4.170 0.003 0.000 0.293 297 I C -0.026 176.124 176.117 0.056 0.000 1.020 297 I CA -1.174 60.176 61.300 0.084 0.000 1.088 297 I CB 1.345 39.411 38.000 0.111 0.000 1.267 297 I HN 0.533 nan 8.210 nan 0.000 0.430 298 K N 7.885 128.304 120.400 0.032 0.000 2.227 298 K HA 0.575 4.897 4.320 0.003 0.000 0.280 298 K C -1.217 175.397 176.600 0.024 0.000 1.041 298 K CA -0.390 55.917 56.287 0.035 0.000 0.905 298 K CB 1.411 33.908 32.500 -0.004 0.000 1.068 298 K HN 0.507 nan 8.250 nan 0.000 0.470 299 L N 3.603 124.870 121.223 0.074 0.000 2.309 299 L HA 0.500 4.842 4.340 0.003 0.000 0.261 299 L C -2.414 174.536 176.870 0.134 0.000 1.021 299 L CA -2.792 52.090 54.840 0.070 0.000 0.823 299 L CB 1.907 44.019 42.059 0.088 0.000 1.366 299 L HN 0.329 nan 8.230 nan 0.000 0.423 300 P HA 0.107 nan 4.420 nan 0.000 0.266 300 P C 0.048 177.389 177.300 0.069 0.000 1.195 300 P CA 0.031 63.200 63.100 0.116 0.000 0.768 300 P CB 0.563 32.298 31.700 0.057 0.000 0.838 301 R N 2.441 122.956 120.500 0.025 0.000 2.113 301 R HA -0.197 4.144 4.340 0.003 0.000 0.244 301 R C 1.673 177.917 176.300 -0.093 0.000 1.142 301 R CA 2.156 58.153 56.100 -0.172 0.000 0.953 301 R CB -0.705 29.483 30.300 -0.187 0.000 0.860 301 R HN 0.674 nan 8.270 nan 0.000 0.438 302 D N 0.185 120.561 120.400 -0.041 0.000 2.263 302 D HA -0.106 4.536 4.640 0.003 0.000 0.208 302 D C 1.750 178.029 176.300 -0.035 0.000 0.971 302 D CA 0.919 54.898 54.000 -0.034 0.000 0.867 302 D CB -0.174 40.616 40.800 -0.016 0.000 0.929 302 D HN 0.128 nan 8.370 nan 0.000 0.492 303 V N 1.312 121.214 119.914 -0.021 0.000 2.379 303 V HA -0.177 3.945 4.120 0.003 0.000 0.245 303 V C 2.663 178.723 176.094 -0.057 0.000 1.044 303 V CA 0.746 63.032 62.300 -0.023 0.000 1.036 303 V CB -0.246 31.601 31.823 0.039 0.000 0.664 303 V HN 0.152 nan 8.190 nan 0.000 0.453 304 I N 0.390 120.929 120.570 -0.053 0.000 2.286 304 I HA -0.162 4.010 4.170 0.003 0.000 0.248 304 I C 2.482 178.556 176.117 -0.073 0.000 1.115 304 I CA 1.568 62.825 61.300 -0.072 0.000 1.392 304 I CB -1.297 36.652 38.000 -0.085 0.000 1.065 304 I HN 0.290 nan 8.210 nan 0.000 0.418 305 S N 0.202 115.859 115.700 -0.072 0.000 2.447 305 S HA -0.101 4.370 4.470 0.003 0.000 0.233 305 S C 1.958 176.526 174.600 -0.053 0.000 1.006 305 S CA 1.276 59.440 58.200 -0.060 0.000 0.957 305 S CB -0.204 62.961 63.200 -0.058 0.000 0.773 305 S HN 0.480 nan 8.310 nan 0.000 0.507 306 T N 1.912 116.427 114.554 -0.063 0.000 2.942 306 T HA 0.212 4.564 4.350 0.003 0.000 0.265 306 T C 1.604 176.258 174.700 -0.076 0.000 1.062 306 T CA 0.671 62.730 62.100 -0.068 0.000 1.139 306 T CB -0.115 68.704 68.868 -0.082 0.000 0.883 306 T HN 0.337 nan 8.240 nan 0.000 0.468 307 I N 0.142 120.659 120.570 -0.088 0.000 2.556 307 I HA 0.142 4.314 4.170 0.003 0.000 0.251 307 I C 2.199 178.308 176.117 -0.013 0.000 1.105 307 I CA 0.443 61.700 61.300 -0.072 0.000 1.436 307 I CB -0.164 37.756 38.000 -0.134 0.000 1.139 307 I HN 0.107 nan 8.210 nan 0.000 0.438 308 I N 2.519 123.079 120.570 -0.016 0.000 2.381 308 I HA -0.209 3.962 4.170 0.003 0.000 0.255 308 I C -0.470 175.649 176.117 0.003 0.000 1.140 308 I CA 1.521 62.824 61.300 0.005 0.000 1.404 308 I CB -0.519 37.474 38.000 -0.012 0.000 1.075 308 I HN 0.181 nan 8.210 nan 0.000 0.433 309 P HA 0.095 nan 4.420 nan 0.000 0.267 309 P C 0.188 177.485 177.300 -0.005 0.000 1.289 309 P CA 0.204 63.300 63.100 -0.006 0.000 0.866 309 P CB 0.135 31.828 31.700 -0.012 0.000 1.309 310 L N 1.955 123.175 121.223 -0.005 0.000 2.367 310 L HA 0.278 4.620 4.340 0.003 0.000 0.275 310 L C -2.122 174.744 176.870 -0.006 0.000 1.129 310 L CA -2.104 52.732 54.840 -0.007 0.000 0.839 310 L CB -0.093 41.959 42.059 -0.011 0.000 1.133 310 L HN -0.178 nan 8.230 nan 0.000 0.453 311 P HA 0.091 nan 4.420 nan 0.000 0.269 311 P C 0.707 177.995 177.300 -0.021 0.000 1.209 311 P CA 0.055 63.149 63.100 -0.010 0.000 0.776 311 P CB 0.973 32.670 31.700 -0.004 0.000 0.876 312 V N 1.427 121.322 119.914 -0.032 0.000 0.516 312 V HA -0.345 3.776 4.120 0.003 0.000 0.092 312 V C 1.990 178.044 176.094 -0.067 0.000 2.243 312 V CA 2.307 64.578 62.300 -0.048 0.000 3.573 312 V CB -1.997 29.801 31.823 -0.041 0.000 0.862 312 V HN 0.527 nan 8.190 nan 0.000 0.902 313 I N 1.319 121.861 120.570 -0.046 0.000 2.208 313 I HA -0.229 3.942 4.170 0.003 0.000 0.245 313 I C 2.565 178.650 176.117 -0.054 0.000 1.097 313 I CA 2.769 64.043 61.300 -0.044 0.000 1.363 313 I CB -1.205 36.807 38.000 0.021 0.000 1.051 313 I HN 0.833 nan 8.210 nan 0.000 0.413 314 K N 0.794 121.187 120.400 -0.012 0.000 2.360 314 K HA -0.143 4.179 4.320 0.003 0.000 0.201 314 K C 1.258 177.834 176.600 -0.041 0.000 1.046 314 K CA 1.096 57.391 56.287 0.012 0.000 0.945 314 K CB -0.171 32.336 32.500 0.012 0.000 0.750 314 K HN 0.272 nan 8.250 nan 0.000 0.464 315 E N 1.124 121.267 120.200 -0.095 0.000 2.435 315 E HA 0.015 4.366 4.350 0.003 0.000 0.195 315 E C 1.851 178.323 176.600 -0.213 0.000 1.029 315 E CA 0.390 56.723 56.400 -0.112 0.000 0.865 315 E CB 0.032 29.681 29.700 -0.086 0.000 0.833 315 E HN 0.430 nan 8.360 nan 0.000 0.510 316 L N -0.408 120.574 121.223 -0.403 0.000 2.313 316 L HA -0.016 4.325 4.340 0.003 0.000 0.214 316 L C 0.144 176.510 176.870 -0.840 0.000 1.119 316 L CA 0.734 55.139 54.840 -0.725 0.000 0.809 316 L CB -0.108 41.275 42.059 -1.127 0.000 0.933 316 L HN 0.040 nan 8.230 nan 0.000 0.449 317 Y N -1.766 118.441 120.300 -0.154 0.000 2.534 317 Y HA 0.511 5.063 4.550 0.003 0.000 0.345 317 Y C -0.055 175.791 175.900 -0.091 0.000 1.031 317 Y CA -1.354 56.636 58.100 -0.185 0.000 1.022 317 Y CB 0.968 39.262 38.460 -0.277 0.000 1.292 317 Y HN -0.226 nan 8.280 nan 0.000 0.459 318 R N 0.564 121.129 120.500 0.108 0.000 2.500 318 R HA 0.715 5.056 4.340 0.003 0.000 0.275 318 R C -0.519 175.826 176.300 0.074 0.000 1.051 318 R CA -0.517 55.628 56.100 0.074 0.000 1.088 318 R CB 1.748 32.087 30.300 0.066 0.000 1.063 318 R HN 0.791 nan 8.270 nan 0.000 0.511 319 T N -0.668 113.917 114.554 0.052 0.000 2.843 319 T HA 0.089 4.441 4.350 0.003 0.000 0.302 319 T C -0.538 174.180 174.700 0.029 0.000 1.232 319 T CA -0.794 61.327 62.100 0.036 0.000 1.009 319 T CB 1.275 70.156 68.868 0.023 0.000 1.254 319 T HN 0.714 nan 8.240 nan 0.000 0.504 320 D N 0.374 120.790 120.400 0.026 0.000 2.349 320 D HA 0.230 4.871 4.640 0.003 0.000 0.214 320 D C 1.472 177.776 176.300 0.007 0.000 1.063 320 D CA 0.788 54.803 54.000 0.025 0.000 0.847 320 D CB -0.349 40.475 40.800 0.040 0.000 0.933 320 D HN 1.144 nan 8.370 nan 0.000 0.513 321 G N 0.201 108.997 108.800 -0.007 0.000 2.184 321 G HA2 -0.338 3.624 3.960 0.003 0.000 0.264 321 G HA3 -0.338 3.624 3.960 0.003 0.000 0.264 321 G C 0.990 175.849 174.900 -0.069 0.000 0.975 321 G CA 0.753 45.837 45.100 -0.028 0.000 0.642 321 G HN 0.407 nan 8.290 nan 0.000 0.536 322 Q N -1.790 117.960 119.800 -0.083 0.000 2.618 322 Q HA 0.244 4.585 4.340 0.003 0.000 0.209 322 Q C 1.571 177.327 176.000 -0.408 0.000 0.797 322 Q CA 1.357 57.027 55.803 -0.222 0.000 0.888 322 Q CB 0.318 28.989 28.738 -0.111 0.000 1.244 322 Q HN 0.706 nan 8.270 nan 0.000 0.626 323 H N -1.106 117.962 119.070 -0.004 0.000 3.680 323 H HA 0.418 4.975 4.556 0.003 0.000 0.260 323 H C -0.099 175.225 175.328 -0.006 0.000 1.183 323 H CA -0.105 55.939 56.048 -0.006 0.000 1.159 323 H CB 1.637 31.395 29.762 -0.006 0.000 1.567 323 H HN -0.007 nan 8.280 nan 0.000 0.648 324 I N 2.055 122.683 120.570 0.096 0.000 2.412 324 I HA 0.272 4.444 4.170 0.003 0.000 0.296 324 I C -0.811 175.317 176.117 0.019 0.000 0.987 324 I CA -0.602 60.735 61.300 0.063 0.000 1.180 324 I CB 2.133 40.172 38.000 0.065 0.000 1.340 324 I HN -0.055 nan 8.210 nan 0.000 0.455 325 L N 6.386 127.611 121.223 0.003 0.000 2.381 325 L HA 0.513 4.855 4.340 0.003 0.000 0.274 325 L C -0.700 176.184 176.870 0.024 0.000 0.988 325 L CA -0.747 54.050 54.840 -0.073 0.000 0.824 325 L CB 1.833 43.719 42.059 -0.288 0.000 1.263 325 L HN 0.522 nan 8.230 nan 0.000 0.410 326 K N 3.497 123.940 120.400 0.072 0.000 2.413 326 K HA 0.517 4.839 4.320 0.003 0.000 0.257 326 K C -1.093 175.645 176.600 0.230 0.000 0.946 326 K CA -0.582 55.815 56.287 0.183 0.000 0.823 326 K CB 2.142 34.737 32.500 0.158 0.000 1.109 326 K HN 0.165 nan 8.250 nan 0.000 0.427 327 F N 3.671 123.800 119.950 0.298 0.000 2.378 327 F HA 0.248 4.777 4.527 0.003 0.000 0.319 327 F C -1.483 174.478 175.800 0.268 0.000 1.155 327 F CA -1.795 56.399 58.000 0.323 0.000 1.157 327 F CB 0.286 39.530 39.000 0.405 0.000 1.252 327 F HN 0.369 nan 8.300 nan 0.000 0.550 328 P HA -0.002 nan 4.420 nan 0.000 0.277 328 P C -1.284 176.177 177.300 0.267 0.000 1.240 328 P CA -0.574 62.659 63.100 0.221 0.000 0.798 328 P CB 0.724 32.447 31.700 0.039 0.000 0.979 329 Q N 2.841 122.693 119.800 0.088 0.000 2.262 329 Q HA 0.145 4.486 4.340 0.003 0.000 0.272 329 Q C -2.026 173.833 176.000 -0.236 0.000 1.076 329 Q CA -1.574 54.090 55.803 -0.232 0.000 0.905 329 Q CB -0.109 28.526 28.738 -0.171 0.000 1.182 329 Q HN 0.285 nan 8.270 nan 0.000 0.390 330 P HA -0.007 nan 4.420 nan 0.000 0.268 330 P C -0.409 176.726 177.300 -0.275 0.000 1.205 330 P CA 0.083 63.032 63.100 -0.251 0.000 0.771 330 P CB 0.637 32.050 31.700 -0.479 0.000 0.858 331 H N 0.864 119.753 119.070 -0.300 0.000 2.353 331 H HA -0.143 4.414 4.556 0.003 0.000 0.298 331 H C 1.791 176.892 175.328 -0.377 0.000 1.103 331 H CA 1.531 57.348 56.048 -0.384 0.000 1.293 331 H CB -0.694 28.678 29.762 -0.650 0.000 1.372 331 H HN 0.138 nan 8.280 nan 0.000 0.501 332 V N 1.079 120.834 119.914 -0.266 0.000 2.828 332 V HA -0.142 3.980 4.120 0.003 0.000 0.260 332 V C 1.667 177.720 176.094 -0.068 0.000 1.101 332 V CA 1.737 63.938 62.300 -0.166 0.000 1.123 332 V CB -0.353 31.425 31.823 -0.075 0.000 0.704 332 V HN 0.496 nan 8.190 nan 0.000 0.493 333 V N -3.779 116.059 119.914 -0.126 0.000 3.427 333 V HA 0.210 4.331 4.120 0.003 0.000 0.305 333 V C 1.727 177.770 176.094 -0.086 0.000 1.412 333 V CA 0.521 62.782 62.300 -0.065 0.000 1.086 333 V CB 0.069 31.847 31.823 -0.074 0.000 0.964 333 V HN 0.458 nan 8.190 nan 0.000 0.439 334 Q N 0.420 120.146 119.800 -0.123 0.000 2.291 334 Q HA -0.057 4.284 4.340 0.003 0.000 0.206 334 Q C 1.981 177.949 176.000 -0.053 0.000 0.976 334 Q CA 2.009 57.747 55.803 -0.108 0.000 0.875 334 Q CB 0.196 28.842 28.738 -0.153 0.000 0.927 334 Q HN 0.703 nan 8.270 nan 0.000 0.450 335 V N -1.609 118.287 119.914 -0.031 0.000 3.013 335 V HA 0.079 4.201 4.120 0.003 0.000 0.238 335 V C 0.497 176.593 176.094 0.002 0.000 1.161 335 V CA 0.386 62.680 62.300 -0.009 0.000 1.170 335 V CB 1.437 33.260 31.823 0.001 0.000 0.917 335 V HN -0.021 nan 8.190 nan 0.000 0.478 336 S N 0.142 115.850 115.700 0.013 0.000 2.733 336 S HA 0.301 4.772 4.470 0.003 0.000 0.294 336 S C 0.513 175.144 174.600 0.053 0.000 1.149 336 S CA -0.487 57.727 58.200 0.023 0.000 1.034 336 S CB 1.783 64.998 63.200 0.024 0.000 1.015 336 S HN 0.506 nan 8.310 nan 0.000 0.486 337 Q N 3.224 123.050 119.800 0.043 0.000 2.472 337 Q HA 0.062 4.404 4.340 0.003 0.000 0.208 337 Q C 1.106 177.247 176.000 0.234 0.000 0.958 337 Q CA 1.354 57.216 55.803 0.098 0.000 0.932 337 Q CB -0.091 28.599 28.738 -0.080 0.000 1.007 337 Q HN 0.629 nan 8.270 nan 0.000 0.508 338 S N -1.135 114.618 115.700 0.088 0.000 2.512 338 S HA 0.388 4.859 4.470 0.003 0.000 0.216 338 S C 1.916 176.361 174.600 -0.257 0.000 1.006 338 S CA 0.001 58.157 58.200 -0.073 0.000 0.915 338 S CB 0.427 63.585 63.200 -0.070 0.000 0.824 338 S HN 0.410 nan 8.310 nan 0.000 0.497 339 A N 2.743 125.529 122.820 -0.056 0.000 2.024 339 A HA -0.032 4.289 4.320 0.003 0.000 0.220 339 A C 1.985 179.552 177.584 -0.027 0.000 1.164 339 A CA 1.262 53.275 52.037 -0.040 0.000 0.643 339 A CB -1.398 17.628 19.000 0.044 0.000 0.806 339 A HN 0.948 nan 8.150 nan 0.000 0.451 340 W N 0.585 121.898 121.300 0.022 0.000 2.364 340 W HA -0.197 4.465 4.660 0.003 0.000 0.281 340 W C 1.608 178.138 176.519 0.018 0.000 1.219 340 W CA 1.391 58.751 57.345 0.025 0.000 1.220 340 W CB -1.045 28.407 29.460 -0.013 0.000 1.127 340 W HN 0.517 nan 8.180 nan 0.000 0.556 341 M N 1.895 120.890 119.600 -1.009 0.000 2.618 341 M HA 0.158 4.640 4.480 0.003 0.000 0.240 341 M C 0.644 176.732 176.300 -0.354 0.000 1.123 341 M CA 1.054 55.779 55.300 -0.958 0.000 1.060 341 M CB -1.128 30.569 32.600 -1.504 0.000 1.535 341 M HN -0.153 nan 8.290 nan 0.000 0.507 342 T N -1.503 112.940 114.554 -0.184 0.000 2.913 342 T HA 0.149 4.501 4.350 0.003 0.000 0.297 342 T C 0.386 175.138 174.700 0.087 0.000 1.029 342 T CA -0.451 61.626 62.100 -0.038 0.000 1.104 342 T CB 1.220 70.084 68.868 -0.008 0.000 0.964 342 T HN 0.126 nan 8.240 nan 0.000 0.532 343 D N 1.423 121.908 120.400 0.142 0.000 2.178 343 D HA -0.059 4.582 4.640 0.003 0.000 0.201 343 D C 1.907 178.363 176.300 0.260 0.000 0.980 343 D CA 1.161 55.324 54.000 0.272 0.000 0.842 343 D CB -0.090 40.877 40.800 0.278 0.000 0.948 343 D HN 0.743 nan 8.370 nan 0.000 0.472 344 E N 0.379 120.671 120.200 0.154 0.000 2.058 344 E HA -0.184 4.167 4.350 0.003 0.000 0.194 344 E C 1.908 178.579 176.600 0.119 0.000 0.997 344 E CA 1.092 57.562 56.400 0.116 0.000 0.801 344 E CB -0.121 29.623 29.700 0.073 0.000 0.746 344 E HN 0.192 nan 8.360 nan 0.000 0.450 345 E N -0.215 120.066 120.200 0.136 0.000 2.107 345 E HA -0.124 4.228 4.350 0.003 0.000 0.191 345 E C 1.663 178.360 176.600 0.162 0.000 0.982 345 E CA 0.582 57.066 56.400 0.140 0.000 0.809 345 E CB -0.345 29.450 29.700 0.159 0.000 0.756 345 E HN 0.275 nan 8.360 nan 0.000 0.459 346 F N 0.823 120.806 119.950 0.056 0.000 2.091 346 F HA -0.191 4.337 4.527 0.003 0.000 0.299 346 F C 1.990 177.800 175.800 0.015 0.000 1.103 346 F CA 2.117 60.144 58.000 0.044 0.000 1.228 346 F CB -0.768 38.266 39.000 0.057 0.000 0.984 346 F HN 0.100 nan 8.300 nan 0.000 0.477 347 A N 0.403 123.208 122.820 -0.025 0.000 1.929 347 A HA -0.114 4.208 4.320 0.003 0.000 0.216 347 A C 2.409 179.883 177.584 -0.184 0.000 1.176 347 A CA 1.296 53.221 52.037 -0.186 0.000 0.628 347 A CB -0.836 18.158 19.000 -0.010 0.000 0.816 347 A HN 0.462 nan 8.150 nan 0.000 0.444 348 R N 0.099 120.546 120.500 -0.088 0.000 2.105 348 R HA -0.149 4.193 4.340 0.003 0.000 0.239 348 R C 1.659 177.876 176.300 -0.139 0.000 1.135 348 R CA 1.678 57.721 56.100 -0.095 0.000 0.967 348 R CB -0.229 30.066 30.300 -0.009 0.000 0.861 348 R HN 0.662 nan 8.270 nan 0.000 0.442 349 E N -0.153 119.950 120.200 -0.162 0.000 2.409 349 E HA -0.147 4.205 4.350 0.003 0.000 0.198 349 E C 1.710 178.153 176.600 -0.262 0.000 1.024 349 E CA 0.815 57.062 56.400 -0.255 0.000 0.861 349 E CB 0.026 29.535 29.700 -0.318 0.000 0.788 349 E HN 0.457 nan 8.360 nan 0.000 0.521 350 M N 0.142 119.578 119.600 -0.274 0.000 2.557 350 M HA -0.006 4.476 4.480 0.003 0.000 0.259 350 M C 1.980 178.124 176.300 -0.259 0.000 1.086 350 M CA 1.069 56.210 55.300 -0.265 0.000 1.096 350 M CB 0.039 32.453 32.600 -0.310 0.000 1.424 350 M HN 0.196 nan 8.290 nan 0.000 0.488 351 I N -4.853 115.552 120.570 -0.275 0.000 4.327 351 I HA 0.448 4.620 4.170 0.003 0.000 0.331 351 I C 1.093 177.167 176.117 -0.071 0.000 1.348 351 I CA -0.108 61.025 61.300 -0.280 0.000 1.152 351 I CB 0.392 38.011 38.000 -0.636 0.000 1.151 351 I HN -0.021 nan 8.210 nan 0.000 0.410 352 A N 1.167 123.911 122.820 -0.127 0.000 2.596 352 A HA 0.724 5.046 4.320 0.003 0.000 0.276 352 A C 0.706 178.358 177.584 0.114 0.000 0.962 352 A CA 0.141 52.090 52.037 -0.148 0.000 1.010 352 A CB -0.397 18.507 19.000 -0.160 0.000 1.220 352 A HN 0.379 nan 8.150 nan 0.000 0.549 353 G N -0.777 107.950 108.800 -0.121 0.000 2.702 353 G HA2 0.442 4.404 3.960 0.003 0.000 0.254 353 G HA3 0.442 4.404 3.960 0.003 0.000 0.254 353 G C 1.221 175.997 174.900 -0.205 0.000 1.380 353 G CA 0.429 45.226 45.100 -0.506 0.000 1.042 353 G HN 0.826 nan 8.290 nan 0.000 0.557 354 V N -2.110 117.613 119.914 -0.319 0.000 2.626 354 V HA 0.054 4.176 4.120 0.003 0.000 0.252 354 V C 0.942 176.885 176.094 -0.252 0.000 1.067 354 V CA 1.932 64.127 62.300 -0.174 0.000 1.081 354 V CB -0.552 31.081 31.823 -0.316 0.000 0.686 354 V HN 0.570 nan 8.190 nan 0.000 0.468 355 N N 1.508 120.075 118.700 -0.221 0.000 2.844 355 N HA 0.334 5.075 4.740 0.003 0.000 0.268 355 N C -2.322 173.152 175.510 -0.060 0.000 1.574 355 N CA -1.115 51.915 53.050 -0.034 0.000 0.838 355 N CB 1.621 40.142 38.487 0.056 0.000 1.177 355 N HN 0.344 nan 8.380 nan 0.000 0.495 356 P HA 0.149 nan 4.420 nan 0.000 0.256 356 P C 0.481 177.756 177.300 -0.042 0.000 1.384 356 P CA 0.041 63.075 63.100 -0.111 0.000 0.879 356 P CB -0.681 30.955 31.700 -0.106 0.000 1.403 357 C N -3.173 116.099 119.300 -0.046 0.000 2.969 357 C HA 0.485 4.946 4.460 0.003 0.000 0.260 357 C C 1.385 176.437 174.990 0.102 0.000 1.618 357 C CA -0.475 58.581 59.018 0.063 0.000 1.774 357 C CB -1.106 26.629 27.740 -0.008 0.000 3.063 357 C HN 0.036 nan 8.230 nan 0.000 0.506 358 V N 0.544 120.488 119.914 0.050 0.000 3.307 358 V HA 0.221 4.343 4.120 0.003 0.000 0.244 358 V C 1.222 177.263 176.094 -0.090 0.000 1.196 358 V CA 0.197 62.481 62.300 -0.026 0.000 1.132 358 V CB -0.098 31.679 31.823 -0.076 0.000 0.875 358 V HN 0.671 nan 8.190 nan 0.000 0.468 359 I N 1.866 122.388 120.570 -0.081 0.000 2.880 359 I HA 0.019 4.190 4.170 0.003 0.000 0.296 359 I C 0.390 176.513 176.117 0.011 0.000 1.220 359 I CA 0.775 62.025 61.300 -0.083 0.000 1.435 359 I CB 0.224 38.127 38.000 -0.162 0.000 1.339 359 I HN 0.247 nan 8.210 nan 0.000 0.583 360 R N 4.313 124.848 120.500 0.058 0.000 2.795 360 R HA 0.480 4.822 4.340 0.003 0.000 0.275 360 R C -0.449 175.974 176.300 0.204 0.000 0.981 360 R CA -0.794 55.371 56.100 0.109 0.000 0.917 360 R CB 1.777 32.086 30.300 0.015 0.000 1.202 360 R HN 0.786 nan 8.270 nan 0.000 0.469 361 G N 0.982 109.863 108.800 0.135 0.000 2.483 361 G HA2 0.363 4.325 3.960 0.003 0.000 0.248 361 G HA3 0.363 4.325 3.960 0.003 0.000 0.248 361 G C -1.151 173.638 174.900 -0.186 0.000 1.248 361 G CA -0.242 44.738 45.100 -0.201 0.000 0.838 361 G HN 0.279 nan 8.290 nan 0.000 0.566 362 L N 0.565 121.619 121.223 -0.282 0.000 2.319 362 L HA 0.473 4.815 4.340 0.003 0.000 0.281 362 L C 0.594 177.390 176.870 -0.124 0.000 1.005 362 L CA -0.298 54.467 54.840 -0.125 0.000 0.828 362 L CB 1.462 43.498 42.059 -0.039 0.000 1.227 362 L HN 0.706 nan 8.230 nan 0.000 0.415 363 E N 3.719 123.873 120.200 -0.077 0.000 2.501 363 E HA 0.120 4.471 4.350 0.003 0.000 0.201 363 E C -0.556 176.039 176.600 -0.007 0.000 1.016 363 E CA 0.062 56.428 56.400 -0.056 0.000 0.920 363 E CB 0.713 30.378 29.700 -0.058 0.000 1.023 363 E HN 0.766 nan 8.360 nan 0.000 0.474 364 E N -0.060 120.151 120.200 0.018 0.000 2.429 364 E HA 0.522 4.874 4.350 0.003 0.000 0.276 364 E C -1.340 175.329 176.600 0.116 0.000 0.953 364 E CA -0.939 55.489 56.400 0.048 0.000 0.787 364 E CB 1.754 31.456 29.700 0.003 0.000 1.307 364 E HN -0.093 nan 8.360 nan 0.000 0.458 365 F N 1.506 121.442 119.950 -0.024 0.000 2.596 365 F HA 0.445 4.974 4.527 0.003 0.000 0.311 365 F C -2.469 173.321 175.800 -0.015 0.000 1.116 365 F CA -1.481 56.508 58.000 -0.019 0.000 0.957 365 F CB 1.799 40.791 39.000 -0.013 0.000 1.250 365 F HN 0.471 nan 8.300 nan 0.000 0.444 366 P HA 0.329 nan 4.420 nan 0.000 0.274 366 P C -2.918 173.985 177.300 -0.661 0.000 1.256 366 P CA -1.166 61.169 63.100 -1.275 0.000 0.795 366 P CB 0.233 31.477 31.700 -0.760 0.000 1.038 367 P HA 0.166 nan 4.420 nan 0.000 0.271 367 P C -0.413 176.737 177.300 -0.251 0.000 1.218 367 P CA 0.138 63.056 63.100 -0.303 0.000 0.780 367 P CB 0.938 32.497 31.700 -0.234 0.000 0.901 368 K N 0.772 121.069 120.400 -0.171 0.000 2.185 368 K HA 0.574 4.896 4.320 0.003 0.000 0.240 368 K C 0.061 176.586 176.600 -0.125 0.000 0.983 368 K CA -0.740 55.464 56.287 -0.138 0.000 0.873 368 K CB 1.349 33.797 32.500 -0.087 0.000 1.118 368 K HN 0.356 nan 8.250 nan 0.000 0.441 369 S N 0.228 115.872 115.700 -0.093 0.000 2.536 369 S HA 0.298 4.769 4.470 0.003 0.000 0.298 369 S C -0.270 174.348 174.600 0.031 0.000 1.083 369 S CA -0.767 57.416 58.200 -0.029 0.000 0.995 369 S CB 0.773 63.962 63.200 -0.018 0.000 1.058 369 S HN 0.563 nan 8.310 nan 0.000 0.488 370 N N 2.636 121.374 118.700 0.064 0.000 2.230 370 N HA 0.254 4.995 4.740 0.003 0.000 0.202 370 N C -0.198 175.371 175.510 0.099 0.000 1.119 370 N CA 0.073 53.163 53.050 0.067 0.000 0.851 370 N CB -0.011 38.510 38.487 0.057 0.000 0.990 370 N HN 0.539 nan 8.380 nan 0.000 0.497 371 L N 0.554 121.857 121.223 0.133 0.000 2.436 371 L HA 0.152 4.494 4.340 0.003 0.000 0.265 371 L C 0.654 177.658 176.870 0.223 0.000 1.168 371 L CA -0.566 54.387 54.840 0.189 0.000 0.815 371 L CB 0.485 42.636 42.059 0.152 0.000 1.109 371 L HN -0.103 nan 8.230 nan 0.000 0.462 372 D N 3.550 124.106 120.400 0.261 0.000 2.346 372 D HA 0.052 4.694 4.640 0.003 0.000 0.260 372 D C -1.412 174.985 176.300 0.161 0.000 1.252 372 D CA -1.787 52.306 54.000 0.156 0.000 0.895 372 D CB 1.162 42.004 40.800 0.069 0.000 1.097 372 D HN 0.224 nan 8.370 nan 0.000 0.489 373 P HA -0.117 nan 4.420 nan 0.000 0.222 373 P C 0.934 178.265 177.300 0.053 0.000 1.147 373 P CA 0.575 63.744 63.100 0.115 0.000 0.790 373 P CB 0.250 32.003 31.700 0.088 0.000 0.780 374 A N -0.214 122.613 122.820 0.011 0.000 2.015 374 A HA -0.093 4.228 4.320 0.003 0.000 0.219 374 A C 2.250 179.782 177.584 -0.088 0.000 1.163 374 A CA 1.115 53.137 52.037 -0.026 0.000 0.646 374 A CB -1.220 17.763 19.000 -0.029 0.000 0.806 374 A HN 0.170 nan 8.150 nan 0.000 0.448 375 I N -2.970 117.491 120.570 -0.181 0.000 2.628 375 I HA -0.065 4.107 4.170 0.003 0.000 0.255 375 I C 1.534 177.365 176.117 -0.478 0.000 1.119 375 I CA 0.868 61.914 61.300 -0.423 0.000 1.448 375 I CB 0.021 37.552 38.000 -0.782 0.000 1.133 375 I HN 0.351 nan 8.210 nan 0.000 0.438 376 Y N 0.976 121.291 120.300 0.025 0.000 2.467 376 Y HA 0.480 5.032 4.550 0.003 0.000 0.250 376 Y C 1.138 177.088 175.900 0.084 0.000 1.155 376 Y CA 0.002 58.123 58.100 0.034 0.000 1.249 376 Y CB 0.007 38.485 38.460 0.030 0.000 1.146 376 Y HN 0.157 nan 8.280 nan 0.000 0.524 377 G N 0.540 109.447 108.800 0.178 0.000 2.712 377 G HA2 -0.228 3.733 3.960 0.003 0.000 0.683 377 G HA3 -0.228 3.733 3.960 0.003 0.000 0.683 377 G C -1.035 173.966 174.900 0.168 0.000 1.320 377 G CA -0.715 44.486 45.100 0.168 0.000 0.847 377 G HN 0.123 nan 8.290 nan 0.000 0.553 378 D N 0.157 120.629 120.400 0.120 0.000 2.586 378 D HA 0.090 4.731 4.640 0.003 0.000 0.234 378 D C 1.409 177.786 176.300 0.129 0.000 1.132 378 D CA 0.398 54.456 54.000 0.097 0.000 0.860 378 D CB 0.641 41.477 40.800 0.060 0.000 1.159 378 D HN 0.366 nan 8.370 nan 0.000 0.490 379 Q N 1.597 121.467 119.800 0.117 0.000 2.247 379 Q HA 0.039 4.380 4.340 0.003 0.000 0.204 379 Q C 0.321 176.333 176.000 0.021 0.000 0.872 379 Q CA -0.072 55.807 55.803 0.127 0.000 0.951 379 Q CB -0.035 28.800 28.738 0.161 0.000 1.099 379 Q HN 0.546 nan 8.270 nan 0.000 0.501 380 S N -0.038 115.668 115.700 0.009 0.000 2.568 380 S HA 0.151 4.623 4.470 0.003 0.000 0.282 380 S C 0.430 174.995 174.600 -0.058 0.000 1.338 380 S CA -0.424 57.752 58.200 -0.041 0.000 1.045 380 S CB 1.381 64.567 63.200 -0.023 0.000 0.873 380 S HN 0.130 nan 8.310 nan 0.000 0.516 381 S N 1.350 116.978 115.700 -0.120 0.000 2.576 381 S HA 0.244 4.715 4.470 0.003 0.000 0.276 381 S C 0.730 175.295 174.600 -0.058 0.000 1.339 381 S CA -0.671 57.456 58.200 -0.121 0.000 1.039 381 S CB 0.241 63.308 63.200 -0.222 0.000 0.902 381 S HN 0.697 nan 8.310 nan 0.000 0.516 382 K N 3.186 123.580 120.400 -0.010 0.000 2.374 382 K HA 0.303 4.625 4.320 0.003 0.000 0.196 382 K C -0.055 176.576 176.600 0.050 0.000 1.023 382 K CA 0.064 56.365 56.287 0.022 0.000 1.103 382 K CB -0.167 32.356 32.500 0.038 0.000 0.848 382 K HN 0.620 nan 8.250 nan 0.000 0.528 383 I N 2.742 123.347 120.570 0.059 0.000 2.471 383 I HA -0.030 4.142 4.170 0.003 0.000 0.286 383 I C 0.725 176.987 176.117 0.240 0.000 1.079 383 I CA -0.040 61.354 61.300 0.156 0.000 1.398 383 I CB 0.693 38.834 38.000 0.235 0.000 1.403 383 I HN -0.013 nan 8.210 nan 0.000 0.530 384 T N 2.638 117.311 114.554 0.198 0.000 2.837 384 T HA 0.505 4.856 4.350 0.003 0.000 0.285 384 T C 0.971 175.759 174.700 0.147 0.000 0.984 384 T CA -0.490 61.726 62.100 0.193 0.000 1.049 384 T CB 1.960 70.883 68.868 0.091 0.000 0.947 384 T HN 0.648 nan 8.240 nan 0.000 0.472 385 A N 2.471 125.361 122.820 0.116 0.000 1.908 385 A HA -0.077 4.245 4.320 0.003 0.000 0.218 385 A C 1.907 179.403 177.584 -0.146 0.000 1.181 385 A CA 1.494 53.401 52.037 -0.217 0.000 0.627 385 A CB -0.805 18.055 19.000 -0.234 0.000 0.818 385 A HN 0.883 nan 8.150 nan 0.000 0.445 386 D N 0.098 120.461 120.400 -0.061 0.000 2.309 386 D HA -0.094 4.548 4.640 0.003 0.000 0.212 386 D C 2.077 178.341 176.300 -0.061 0.000 0.968 386 D CA 1.418 55.382 54.000 -0.060 0.000 0.882 386 D CB -0.244 40.537 40.800 -0.031 0.000 0.918 386 D HN 0.624 nan 8.370 nan 0.000 0.503 387 S N -0.476 115.195 115.700 -0.048 0.000 2.558 387 S HA 0.055 4.527 4.470 0.003 0.000 0.217 387 S C 0.921 175.476 174.600 -0.075 0.000 0.975 387 S CA -0.295 57.878 58.200 -0.046 0.000 0.912 387 S CB -0.131 63.062 63.200 -0.012 0.000 0.776 387 S HN 0.089 nan 8.310 nan 0.000 0.526 388 L N 2.183 123.342 121.223 -0.107 0.000 2.350 388 L HA 0.464 4.805 4.340 0.003 0.000 0.275 388 L C -0.123 176.648 176.870 -0.165 0.000 1.099 388 L CA -0.619 54.140 54.840 -0.135 0.000 0.808 388 L CB 0.603 42.557 42.059 -0.174 0.000 1.149 388 L HN 0.098 nan 8.230 nan 0.000 0.442 389 D N 3.931 124.229 120.400 -0.170 0.000 2.428 389 D HA 0.234 4.876 4.640 0.003 0.000 0.221 389 D C -0.030 176.092 176.300 -0.296 0.000 1.123 389 D CA -0.178 53.709 54.000 -0.189 0.000 0.869 389 D CB 0.877 41.588 40.800 -0.148 0.000 1.032 389 D HN 0.392 nan 8.370 nan 0.000 0.506 390 L N 3.018 123.988 121.223 -0.421 0.000 3.034 390 L HA 0.191 4.533 4.340 0.003 0.000 0.245 390 L C 0.067 176.499 176.870 -0.730 0.000 1.295 390 L CA -0.402 53.875 54.840 -0.938 0.000 1.068 390 L CB -0.097 41.418 42.059 -0.905 0.000 1.426 390 L HN 0.220 nan 8.230 nan 0.000 0.531 391 D N 1.462 121.675 120.400 -0.311 0.000 2.751 391 D HA -0.212 4.430 4.640 0.003 0.000 0.233 391 D C 1.333 177.667 176.300 0.057 0.000 1.149 391 D CA 1.379 55.350 54.000 -0.048 0.000 0.682 391 D CB -1.024 39.846 40.800 0.117 0.000 1.068 391 D HN 0.759 nan 8.370 nan 0.000 0.429 392 G N -1.878 106.906 108.800 -0.025 0.000 2.195 392 G HA2 -0.364 3.598 3.960 0.003 0.000 0.246 392 G HA3 -0.364 3.598 3.960 0.003 0.000 0.246 392 G C 0.167 175.042 174.900 -0.041 0.000 0.984 392 G CA 0.156 45.240 45.100 -0.027 0.000 0.633 392 G HN 0.404 nan 8.290 nan 0.000 0.525 393 Y N 2.324 122.530 120.300 -0.157 0.000 2.304 393 Y HA 0.497 5.048 4.550 0.001 0.000 0.327 393 Y C 1.596 177.414 175.900 -0.137 0.000 1.209 393 Y CA 0.393 58.430 58.100 -0.105 0.000 1.299 393 Y CB 0.941 39.364 38.460 -0.061 0.000 1.249 393 Y HN 0.296 nan 8.280 nan 0.000 0.519 394 T N -0.569 114.003 114.554 0.028 0.000 2.874 394 T HA 0.173 4.524 4.350 0.003 0.000 0.281 394 T C 1.112 175.808 174.700 -0.005 0.000 0.994 394 T CA -0.848 61.239 62.100 -0.022 0.000 1.015 394 T CB 0.842 69.693 68.868 -0.029 0.000 1.028 394 T HN 0.710 nan 8.240 nan 0.000 0.523 395 M N 0.886 120.443 119.600 -0.071 0.000 2.108 395 M HA -0.067 4.415 4.480 0.003 0.000 0.261 395 M C 1.440 177.729 176.300 -0.019 0.000 1.066 395 M CA 1.719 56.957 55.300 -0.104 0.000 1.107 395 M CB -1.311 31.172 32.600 -0.194 0.000 1.356 395 M HN 0.711 nan 8.290 nan 0.000 0.406 396 D N 0.016 120.416 120.400 0.000 0.000 2.144 396 D HA -0.161 4.481 4.640 0.003 0.000 0.199 396 D C 1.941 178.274 176.300 0.054 0.000 0.984 396 D CA 1.470 55.485 54.000 0.024 0.000 0.834 396 D CB -0.248 40.561 40.800 0.016 0.000 0.955 396 D HN 0.584 nan 8.370 nan 0.000 0.465 397 E N 0.563 120.813 120.200 0.083 0.000 2.072 397 E HA -0.089 4.263 4.350 0.003 0.000 0.191 397 E C 2.124 178.875 176.600 0.252 0.000 0.985 397 E CA 0.899 57.396 56.400 0.162 0.000 0.801 397 E CB -0.011 29.790 29.700 0.167 0.000 0.750 397 E HN 0.179 nan 8.360 nan 0.000 0.452 398 A N 1.244 124.210 122.820 0.243 0.000 1.877 398 A HA -0.159 4.162 4.320 0.003 0.000 0.216 398 A C 2.197 179.826 177.584 0.076 0.000 1.186 398 A CA 1.042 53.203 52.037 0.207 0.000 0.620 398 A CB -0.644 18.476 19.000 0.200 0.000 0.822 398 A HN 0.117 nan 8.150 nan 0.000 0.443 399 L N -0.798 120.451 121.223 0.044 0.000 2.017 399 L HA -0.137 4.205 4.340 0.003 0.000 0.208 399 L C 2.843 179.709 176.870 -0.007 0.000 1.073 399 L CA 1.267 56.107 54.840 0.000 0.000 0.745 399 L CB -0.845 41.225 42.059 0.018 0.000 0.894 399 L HN 0.497 nan 8.230 nan 0.000 0.432 400 G N -0.667 108.149 108.800 0.027 0.000 2.422 400 G HA2 -0.229 3.732 3.960 0.003 0.000 0.218 400 G HA3 -0.229 3.732 3.960 0.003 0.000 0.218 400 G C 1.609 176.524 174.900 0.026 0.000 1.140 400 G CA 0.873 45.987 45.100 0.023 0.000 0.775 400 G HN 0.501 nan 8.290 nan 0.000 0.545 401 S N -0.261 115.469 115.700 0.051 0.000 2.593 401 S HA 0.165 4.637 4.470 0.003 0.000 0.217 401 S C 1.042 175.637 174.600 -0.007 0.000 0.966 401 S CA -0.018 58.212 58.200 0.050 0.000 0.914 401 S CB 0.128 63.404 63.200 0.126 0.000 0.776 401 S HN 0.210 nan 8.310 nan 0.000 0.523 402 R N 0.597 121.065 120.500 -0.053 0.000 3.336 402 R HA -0.126 4.215 4.340 0.003 0.000 0.260 402 R C 0.079 176.281 176.300 -0.162 0.000 1.032 402 R CA 0.587 56.606 56.100 -0.135 0.000 0.693 402 R CB -2.524 27.736 30.300 -0.066 0.000 1.134 402 R HN 0.633 nan 8.270 nan 0.000 0.433 403 R N -0.589 119.803 120.500 -0.179 0.000 2.397 403 R HA 0.209 4.551 4.340 0.003 0.000 0.241 403 R C 0.313 176.499 176.300 -0.191 0.000 0.914 403 R CA -0.318 55.656 56.100 -0.209 0.000 1.071 403 R CB 0.462 30.491 30.300 -0.450 0.000 1.116 403 R HN -0.053 nan 8.270 nan 0.000 0.524 404 L N 0.922 121.953 121.223 -0.320 0.000 2.307 404 L HA 0.474 4.816 4.340 0.003 0.000 0.284 404 L C -1.030 175.485 176.870 -0.592 0.000 1.023 404 L CA -0.186 54.536 54.840 -0.197 0.000 0.810 404 L CB 0.819 42.846 42.059 -0.053 0.000 1.231 404 L HN -0.188 nan 8.230 nan 0.000 0.423 405 F N 4.005 123.956 119.950 0.002 0.000 2.675 405 F HA 0.776 5.304 4.527 0.001 0.000 0.324 405 F C -0.048 175.751 175.800 -0.002 0.000 1.106 405 F CA -0.777 57.208 58.000 -0.025 0.000 0.970 405 F CB 1.868 40.819 39.000 -0.083 0.000 1.385 405 F HN 0.406 nan 8.300 nan 0.000 0.489 406 M N 1.232 120.931 119.600 0.164 0.000 2.534 406 M HA 0.667 5.149 4.480 0.003 0.000 0.280 406 M C -2.365 173.924 176.300 -0.018 0.000 1.217 406 M CA -0.908 54.435 55.300 0.071 0.000 0.893 406 M CB 2.573 35.199 32.600 0.044 0.000 1.730 406 M HN 0.427 nan 8.290 nan 0.000 0.483 407 L N 2.442 123.624 121.223 -0.068 0.000 2.301 407 L HA 0.553 4.894 4.340 0.003 0.000 0.278 407 L C -1.416 175.297 176.870 -0.261 0.000 1.022 407 L CA 0.329 55.042 54.840 -0.211 0.000 0.854 407 L CB 0.873 42.832 42.059 -0.166 0.000 1.226 407 L HN 0.766 nan 8.230 nan 0.000 0.429 408 D N 3.281 123.470 120.400 -0.353 0.000 2.443 408 D HA 0.192 4.834 4.640 0.003 0.000 0.221 408 D C -0.443 175.679 176.300 -0.298 0.000 1.097 408 D CA 0.029 53.895 54.000 -0.224 0.000 0.865 408 D CB 0.489 41.222 40.800 -0.112 0.000 1.034 408 D HN 0.424 nan 8.370 nan 0.000 0.511 409 Y N 2.137 122.492 120.300 0.092 0.000 2.607 409 Y HA 0.096 4.648 4.550 0.003 0.000 0.266 409 Y C 1.846 177.887 175.900 0.234 0.000 1.178 409 Y CA -0.358 57.846 58.100 0.173 0.000 1.226 409 Y CB -0.137 38.408 38.460 0.142 0.000 1.144 409 Y HN 0.620 nan 8.280 nan 0.000 0.528 410 H N 0.562 119.745 119.070 0.189 0.000 2.276 410 H HA -0.127 4.430 4.556 0.003 0.000 0.301 410 H C 0.768 176.165 175.328 0.114 0.000 1.073 410 H CA 2.256 58.385 56.048 0.136 0.000 1.311 410 H CB 0.192 29.991 29.762 0.062 0.000 1.379 410 H HN 0.235 nan 8.280 nan 0.000 0.494 411 D N 0.324 120.885 120.400 0.268 0.000 2.183 411 D HA -0.050 4.592 4.640 0.003 0.000 0.203 411 D C 2.520 178.885 176.300 0.108 0.000 0.969 411 D CA 0.558 54.646 54.000 0.146 0.000 0.842 411 D CB -0.119 40.778 40.800 0.161 0.000 0.957 411 D HN 0.436 nan 8.370 nan 0.000 0.484 412 I N -0.488 120.202 120.570 0.200 0.000 2.202 412 I HA -0.237 3.935 4.170 0.003 0.000 0.242 412 I C 1.677 177.854 176.117 0.101 0.000 1.091 412 I CA 0.944 62.368 61.300 0.206 0.000 1.368 412 I CB -0.063 38.152 38.000 0.359 0.000 1.058 412 I HN -0.083 nan 8.210 nan 0.000 0.410 413 F N -0.737 119.285 119.950 0.119 0.000 2.530 413 F HA -0.034 4.495 4.527 0.003 0.000 0.292 413 F C 2.275 178.071 175.800 -0.006 0.000 1.109 413 F CA 0.456 58.508 58.000 0.087 0.000 1.450 413 F CB -0.263 38.781 39.000 0.073 0.000 1.114 413 F HN -0.016 nan 8.300 nan 0.000 0.560 414 M N 1.505 121.089 119.600 -0.028 0.000 2.106 414 M HA -0.139 4.343 4.480 0.003 0.000 0.259 414 M C -1.107 175.005 176.300 -0.313 0.000 1.068 414 M CA 2.217 57.341 55.300 -0.293 0.000 1.100 414 M CB -1.675 30.539 32.600 -0.644 0.000 1.351 414 M HN -0.185 nan 8.290 nan 0.000 0.404 415 P HA -0.120 nan 4.420 nan 0.000 0.225 415 P C 0.431 177.620 177.300 -0.185 0.000 1.148 415 P CA 1.396 64.423 63.100 -0.122 0.000 0.779 415 P CB -0.201 31.468 31.700 -0.050 0.000 0.780 416 Y N -2.572 117.686 120.300 -0.069 0.000 2.467 416 Y HA 0.068 4.620 4.550 0.003 0.000 0.250 416 Y C 2.039 177.903 175.900 -0.060 0.000 1.155 416 Y CA -0.034 58.008 58.100 -0.097 0.000 1.249 416 Y CB -0.201 38.186 38.460 -0.122 0.000 1.146 416 Y HN -0.294 nan 8.280 nan 0.000 0.524 417 V N 0.245 120.214 119.914 0.091 0.000 2.343 417 V HA -0.319 3.803 4.120 0.003 0.000 0.247 417 V C 2.507 178.601 176.094 0.000 0.000 1.051 417 V CA 2.211 64.546 62.300 0.059 0.000 1.036 417 V CB -0.412 31.417 31.823 0.010 0.000 0.654 417 V HN 0.329 nan 8.190 nan 0.000 0.451 418 R N 0.398 120.886 120.500 -0.020 0.000 2.080 418 R HA -0.237 4.105 4.340 0.003 0.000 0.236 418 R C 2.551 178.825 176.300 -0.045 0.000 1.137 418 R CA 2.165 58.244 56.100 -0.035 0.000 0.943 418 R CB -0.303 29.980 30.300 -0.028 0.000 0.846 418 R HN 0.797 nan 8.270 nan 0.000 0.431 419 Q N -0.156 119.580 119.800 -0.106 0.000 2.167 419 Q HA -0.144 4.198 4.340 0.003 0.000 0.202 419 Q C 2.085 178.070 176.000 -0.026 0.000 0.970 419 Q CA 1.447 57.157 55.803 -0.156 0.000 0.855 419 Q CB -0.278 28.164 28.738 -0.492 0.000 0.911 419 Q HN 0.437 nan 8.270 nan 0.000 0.438 420 I N 1.784 122.361 120.570 0.011 0.000 2.202 420 I HA -0.225 3.947 4.170 0.003 0.000 0.242 420 I C 1.470 177.645 176.117 0.098 0.000 1.091 420 I CA 0.976 62.361 61.300 0.142 0.000 1.368 420 I CB -0.335 37.763 38.000 0.163 0.000 1.058 420 I HN 0.231 nan 8.210 nan 0.000 0.410 421 N N 0.493 119.216 118.700 0.037 0.000 2.520 421 N HA -0.143 4.599 4.740 0.003 0.000 0.185 421 N C 1.670 177.191 175.510 0.019 0.000 1.068 421 N CA 0.694 53.746 53.050 0.004 0.000 0.911 421 N CB -0.181 38.276 38.487 -0.050 0.000 0.961 421 N HN 0.350 nan 8.380 nan 0.000 0.446 422 Q N 0.178 120.003 119.800 0.041 0.000 2.378 422 Q HA 0.111 4.452 4.340 0.003 0.000 0.205 422 Q C 0.400 176.438 176.000 0.064 0.000 0.954 422 Q CA 0.179 56.011 55.803 0.048 0.000 0.901 422 Q CB 0.080 28.853 28.738 0.059 0.000 0.981 422 Q HN 0.429 nan 8.270 nan 0.000 0.483 423 L N 1.866 123.141 121.223 0.087 0.000 2.452 423 L HA 0.080 4.422 4.340 0.003 0.000 0.267 423 L C 0.586 177.481 176.870 0.041 0.000 1.188 423 L CA -0.464 54.422 54.840 0.076 0.000 0.821 423 L CB 0.170 42.288 42.059 0.099 0.000 1.102 423 L HN -0.025 nan 8.230 nan 0.000 0.470 424 N N 0.491 119.207 118.700 0.027 0.000 2.508 424 N HA 0.020 4.761 4.740 0.003 0.000 0.264 424 N C 0.658 176.174 175.510 0.010 0.000 1.216 424 N CA 0.088 53.146 53.050 0.014 0.000 0.943 424 N CB 1.249 39.740 38.487 0.007 0.000 1.113 424 N HN 0.632 nan 8.380 nan 0.000 0.447 425 S N -1.350 114.354 115.700 0.005 0.000 3.445 425 S HA -0.209 4.263 4.470 0.003 0.000 0.319 425 S C -0.358 174.244 174.600 0.003 0.000 1.209 425 S CA 1.081 59.280 58.200 -0.002 0.000 0.934 425 S CB -1.064 62.126 63.200 -0.016 0.000 0.999 425 S HN 0.905 nan 8.310 nan 0.000 0.582 426 A N 0.626 123.457 122.820 0.018 0.000 2.359 426 A HA 0.757 5.079 4.320 0.003 0.000 0.303 426 A C -0.486 177.111 177.584 0.022 0.000 1.066 426 A CA -0.624 51.431 52.037 0.030 0.000 0.730 426 A CB 1.247 20.282 19.000 0.058 0.000 1.211 426 A HN 0.066 nan 8.150 nan 0.000 0.439 427 K N 1.137 121.547 120.400 0.017 0.000 2.565 427 K HA 0.670 4.992 4.320 0.003 0.000 0.251 427 K C -1.109 175.470 176.600 -0.034 0.000 0.956 427 K CA -0.307 55.958 56.287 -0.036 0.000 0.809 427 K CB 1.968 34.434 32.500 -0.056 0.000 1.267 427 K HN 0.771 nan 8.250 nan 0.000 0.438 428 T N 0.969 115.451 114.554 -0.120 0.000 2.812 428 T HA 0.738 5.089 4.350 0.003 0.000 0.294 428 T C -1.532 172.984 174.700 -0.306 0.000 1.159 428 T CA -0.417 61.627 62.100 -0.094 0.000 1.008 428 T CB 0.825 69.711 68.868 0.029 0.000 1.289 428 T HN 0.337 nan 8.240 nan 0.000 0.514 429 Y N 0.105 120.323 120.300 -0.136 0.000 2.562 429 Y HA 0.699 5.251 4.550 0.003 0.000 0.343 429 Y C 0.347 176.186 175.900 -0.102 0.000 1.025 429 Y CA -1.070 56.942 58.100 -0.146 0.000 1.082 429 Y CB 1.926 40.252 38.460 -0.223 0.000 1.264 429 Y HN 0.776 nan 8.280 nan 0.000 0.478 430 A N 1.657 124.555 122.820 0.129 0.000 2.279 430 A HA 0.525 4.847 4.320 0.003 0.000 0.306 430 A C 0.047 177.705 177.584 0.124 0.000 1.300 430 A CA -0.374 51.716 52.037 0.089 0.000 0.925 430 A CB -0.638 18.344 19.000 -0.031 0.000 1.152 430 A HN 0.685 nan 8.150 nan 0.000 0.544 431 T N 0.488 115.115 114.554 0.122 0.000 2.934 431 T HA 0.718 5.069 4.350 0.003 0.000 0.283 431 T C -0.184 174.638 174.700 0.202 0.000 1.005 431 T CA -0.783 61.408 62.100 0.151 0.000 1.041 431 T CB 1.311 70.255 68.868 0.128 0.000 1.042 431 T HN 0.711 nan 8.240 nan 0.000 0.505 432 R N 0.844 121.440 120.500 0.160 0.000 2.533 432 R HA 0.498 4.839 4.340 0.003 0.000 0.288 432 R C -1.431 174.950 176.300 0.134 0.000 1.039 432 R CA -0.483 55.693 56.100 0.125 0.000 0.909 432 R CB 1.993 32.353 30.300 0.100 0.000 1.195 432 R HN 0.840 nan 8.270 nan 0.000 0.438 433 T N 5.264 119.896 114.554 0.130 0.000 2.807 433 T HA 0.454 4.806 4.350 0.003 0.000 0.279 433 T C -0.234 174.570 174.700 0.173 0.000 0.993 433 T CA -0.604 61.611 62.100 0.193 0.000 0.970 433 T CB 0.924 69.929 68.868 0.227 0.000 0.950 433 T HN 0.299 nan 8.240 nan 0.000 0.441 434 I N 4.063 124.767 120.570 0.223 0.000 2.353 434 I HA 0.462 4.633 4.170 0.003 0.000 0.293 434 I C -0.203 176.051 176.117 0.228 0.000 0.992 434 I CA -0.892 60.536 61.300 0.214 0.000 1.268 434 I CB 0.965 39.111 38.000 0.243 0.000 1.387 434 I HN 0.499 nan 8.210 nan 0.000 0.478 435 L N 6.023 127.375 121.223 0.214 0.000 2.362 435 L HA 0.519 4.861 4.340 0.003 0.000 0.271 435 L C -0.780 176.257 176.870 0.278 0.000 1.002 435 L CA -0.609 54.362 54.840 0.217 0.000 0.818 435 L CB 2.244 44.385 42.059 0.137 0.000 1.298 435 L HN 0.352 nan 8.230 nan 0.000 0.420 436 F N 3.018 123.021 119.950 0.087 0.000 2.482 436 F HA 0.571 5.100 4.527 0.002 0.000 0.331 436 F C -0.837 174.983 175.800 0.034 0.000 1.115 436 F CA -1.025 57.004 58.000 0.047 0.000 0.955 436 F CB 1.591 40.577 39.000 -0.023 0.000 1.136 436 F HN 0.265 nan 8.300 nan 0.000 0.452 437 L N 7.599 128.379 121.223 -0.739 0.000 2.295 437 L HA 0.432 4.773 4.340 0.003 0.000 0.288 437 L C -0.077 176.219 176.870 -0.957 0.000 1.079 437 L CA 0.032 54.517 54.840 -0.590 0.000 0.830 437 L CB -0.015 41.869 42.059 -0.292 0.000 1.200 437 L HN 0.633 nan 8.230 nan 0.000 0.438 438 R N 3.469 123.693 120.500 -0.460 0.000 2.707 438 R HA 0.105 4.446 4.340 0.003 0.000 0.270 438 R C 0.864 177.076 176.300 -0.147 0.000 1.083 438 R CA -0.355 55.634 56.100 -0.184 0.000 1.182 438 R CB 0.429 30.754 30.300 0.041 0.000 1.084 438 R HN 0.631 nan 8.270 nan 0.000 0.528 439 E N 1.097 121.295 120.200 -0.003 0.000 2.204 439 E HA -0.202 4.150 4.350 0.003 0.000 0.195 439 E C 0.859 177.465 176.600 0.009 0.000 0.990 439 E CA 1.463 57.878 56.400 0.025 0.000 0.821 439 E CB -0.027 29.747 29.700 0.123 0.000 0.750 439 E HN 0.593 nan 8.360 nan 0.000 0.477 440 D N -0.676 119.730 120.400 0.011 0.000 2.363 440 D HA -0.014 4.627 4.640 0.003 0.000 0.226 440 D C 1.276 177.566 176.300 -0.018 0.000 1.020 440 D CA 0.820 54.824 54.000 0.007 0.000 0.892 440 D CB 0.136 40.947 40.800 0.019 0.000 0.900 440 D HN 0.203 nan 8.370 nan 0.000 0.531 441 G N -0.291 108.478 108.800 -0.051 0.000 2.175 441 G HA2 -0.254 3.708 3.960 0.003 0.000 0.244 441 G HA3 -0.254 3.708 3.960 0.003 0.000 0.244 441 G C 0.466 175.310 174.900 -0.094 0.000 0.982 441 G CA 0.512 45.568 45.100 -0.073 0.000 0.641 441 G HN 0.823 nan 8.290 nan 0.000 0.527 442 T N -0.792 113.716 114.554 -0.076 0.000 2.934 442 T HA 0.753 5.105 4.350 0.003 0.000 0.283 442 T C 0.373 175.011 174.700 -0.103 0.000 1.005 442 T CA -0.854 61.200 62.100 -0.077 0.000 1.041 442 T CB 2.261 71.113 68.868 -0.027 0.000 1.042 442 T HN 0.459 nan 8.240 nan 0.000 0.505 443 L N 1.789 122.945 121.223 -0.111 0.000 2.334 443 L HA 0.561 4.903 4.340 0.003 0.000 0.277 443 L C 0.348 177.225 176.870 0.012 0.000 1.075 443 L CA -0.814 53.966 54.840 -0.100 0.000 0.804 443 L CB 1.182 43.141 42.059 -0.167 0.000 1.174 443 L HN 0.837 nan 8.230 nan 0.000 0.438 444 K N 3.121 123.573 120.400 0.087 0.000 2.427 444 K HA 0.594 4.915 4.320 0.003 0.000 0.252 444 K C -2.901 173.830 176.600 0.218 0.000 0.931 444 K CA -1.865 54.517 56.287 0.158 0.000 0.793 444 K CB 2.248 34.844 32.500 0.162 0.000 1.211 444 K HN 0.122 nan 8.250 nan 0.000 0.426 445 P HA -0.007 nan 4.420 nan 0.000 0.281 445 P C 0.454 177.931 177.300 0.295 0.000 1.252 445 P CA -0.548 62.799 63.100 0.412 0.000 0.778 445 P CB 1.455 33.598 31.700 0.739 0.000 0.895 446 V N -0.076 119.987 119.914 0.249 0.000 3.604 446 V HA 0.723 4.845 4.120 0.003 0.000 0.277 446 V C 0.375 176.523 176.094 0.091 0.000 1.399 446 V CA 0.278 62.633 62.300 0.091 0.000 1.034 446 V CB -0.222 31.629 31.823 0.048 0.000 0.824 446 V HN 0.688 nan 8.190 nan 0.000 0.439 447 A N 0.004 122.987 122.820 0.271 0.000 2.594 447 A HA 0.806 5.127 4.320 0.003 0.000 0.296 447 A C -1.544 176.277 177.584 0.396 0.000 1.056 447 A CA -0.403 51.817 52.037 0.305 0.000 0.693 447 A CB 1.278 20.398 19.000 0.201 0.000 1.278 447 A HN 0.275 nan 8.150 nan 0.000 0.408 448 I N 1.128 121.934 120.570 0.392 0.000 2.499 448 I HA 0.396 4.567 4.170 0.003 0.000 0.288 448 I C -0.284 175.921 176.117 0.146 0.000 1.048 448 I CA -0.223 61.222 61.300 0.241 0.000 1.062 448 I CB 2.134 40.209 38.000 0.124 0.000 1.238 448 I HN 0.835 nan 8.210 nan 0.000 0.426 449 E N 7.236 127.500 120.200 0.107 0.000 2.151 449 E HA 0.502 4.854 4.350 0.003 0.000 0.275 449 E C -1.454 175.151 176.600 0.009 0.000 0.936 449 E CA -0.595 55.843 56.400 0.063 0.000 0.777 449 E CB 1.214 30.963 29.700 0.082 0.000 1.108 449 E HN 0.515 nan 8.360 nan 0.000 0.401 450 L N 4.046 125.200 121.223 -0.116 0.000 2.297 450 L HA 0.362 4.704 4.340 0.003 0.000 0.277 450 L C -0.544 176.279 176.870 -0.079 0.000 1.040 450 L CA -0.560 54.073 54.840 -0.346 0.000 0.867 450 L CB 1.350 42.764 42.059 -1.075 0.000 1.244 450 L HN 0.438 nan 8.230 nan 0.000 0.433 451 S N 4.002 119.784 115.700 0.137 0.000 2.525 451 S HA 0.749 5.220 4.470 0.003 0.000 0.290 451 S C -0.252 174.469 174.600 0.202 0.000 1.152 451 S CA -0.544 57.782 58.200 0.209 0.000 1.072 451 S CB 1.826 65.165 63.200 0.233 0.000 1.027 451 S HN 0.355 nan 8.310 nan 0.000 0.500 452 L N 3.600 124.906 121.223 0.139 0.000 2.370 452 L HA 0.572 4.914 4.340 0.003 0.000 0.266 452 L C -2.368 174.331 176.870 -0.285 0.000 1.002 452 L CA -2.484 52.309 54.840 -0.080 0.000 0.818 452 L CB 2.460 44.439 42.059 -0.133 0.000 1.325 452 L HN 0.389 nan 8.230 nan 0.000 0.418 453 P HA 0.237 nan 4.420 nan 0.000 0.277 453 P C -1.483 175.560 177.300 -0.430 0.000 1.240 453 P CA -0.238 62.784 63.100 -0.129 0.000 0.798 453 P CB 0.886 32.645 31.700 0.098 0.000 0.979 454 H N -0.962 118.179 119.070 0.118 0.000 2.679 454 H HA 0.594 5.151 4.556 0.003 0.000 0.360 454 H C -0.603 174.754 175.328 0.048 0.000 1.105 454 H CA -0.547 55.544 56.048 0.072 0.000 1.196 454 H CB 1.877 31.680 29.762 0.068 0.000 1.636 454 H HN 0.288 nan 8.280 nan 0.000 0.531 455 S N 1.614 117.387 115.700 0.122 0.000 2.546 455 S HA 0.644 5.115 4.470 0.003 0.000 0.272 455 S C -0.792 173.839 174.600 0.051 0.000 1.140 455 S CA -0.575 57.657 58.200 0.053 0.000 0.920 455 S CB 0.749 63.950 63.200 0.000 0.000 1.083 455 S HN 0.889 nan 8.310 nan 0.000 0.476 456 A N 2.322 125.162 122.820 0.034 0.000 2.567 456 A HA 0.484 4.806 4.320 0.003 0.000 0.240 456 A C 1.488 179.084 177.584 0.020 0.000 1.053 456 A CA 0.856 52.909 52.037 0.027 0.000 0.755 456 A CB -1.115 17.894 19.000 0.015 0.000 0.978 456 A HN 2.284 nan 8.150 nan 0.000 0.507 457 G N 2.110 110.924 108.800 0.023 0.000 2.176 457 G HA2 -0.166 3.796 3.960 0.003 0.000 0.232 457 G HA3 -0.166 3.796 3.960 0.003 0.000 0.232 457 G C -0.140 174.772 174.900 0.021 0.000 0.986 457 G CA 0.141 45.252 45.100 0.017 0.000 0.643 457 G HN 0.829 nan 8.290 nan 0.000 0.522 458 D N 0.140 120.560 120.400 0.033 0.000 2.424 458 D HA 0.355 4.997 4.640 0.003 0.000 0.244 458 D C 1.862 178.182 176.300 0.033 0.000 1.134 458 D CA -0.158 53.862 54.000 0.034 0.000 0.881 458 D CB 1.027 41.861 40.800 0.056 0.000 1.191 458 D HN 0.181 nan 8.370 nan 0.000 0.445 459 L N 0.932 122.169 121.223 0.024 0.000 2.179 459 L HA -0.039 4.303 4.340 0.003 0.000 0.208 459 L C 1.458 178.345 176.870 0.028 0.000 1.096 459 L CA 0.538 55.391 54.840 0.022 0.000 0.779 459 L CB -0.141 41.928 42.059 0.016 0.000 0.922 459 L HN 0.207 nan 8.230 nan 0.000 0.443 460 S N -0.111 115.606 115.700 0.029 0.000 2.549 460 S HA 0.349 4.821 4.470 0.003 0.000 0.279 460 S C 0.864 175.499 174.600 0.058 0.000 1.321 460 S CA 0.006 58.226 58.200 0.033 0.000 1.054 460 S CB 1.577 64.786 63.200 0.016 0.000 0.899 460 S HN 0.251 nan 8.310 nan 0.000 0.497 461 A N 3.968 126.822 122.820 0.056 0.000 2.308 461 A HA 0.611 4.933 4.320 0.003 0.000 0.217 461 A C 0.985 178.622 177.584 0.090 0.000 1.216 461 A CA 0.280 52.358 52.037 0.068 0.000 0.864 461 A CB -0.498 18.531 19.000 0.049 0.000 0.902 461 A HN 1.122 nan 8.150 nan 0.000 0.499 462 A N 0.394 123.268 122.820 0.090 0.000 2.498 462 A HA 0.495 4.816 4.320 0.003 0.000 0.239 462 A C 0.441 178.147 177.584 0.204 0.000 1.068 462 A CA 0.518 52.622 52.037 0.112 0.000 0.766 462 A CB -0.141 18.893 19.000 0.055 0.000 1.003 462 A HN 1.326 nan 8.150 nan 0.000 0.497 463 V N -0.092 119.954 119.914 0.220 0.000 3.126 463 V HA 0.777 4.899 4.120 0.003 0.000 0.314 463 V C 0.231 176.502 176.094 0.294 0.000 1.138 463 V CA -0.749 61.730 62.300 0.297 0.000 1.034 463 V CB 1.339 33.235 31.823 0.121 0.000 1.075 463 V HN 0.843 nan 8.190 nan 0.000 0.442 464 S N 2.091 117.985 115.700 0.323 0.000 2.579 464 S HA 0.515 4.987 4.470 0.003 0.000 0.275 464 S C -0.244 174.427 174.600 0.119 0.000 1.345 464 S CA -0.405 57.941 58.200 0.242 0.000 1.031 464 S CB 0.261 63.615 63.200 0.257 0.000 0.892 464 S HN 1.033 nan 8.310 nan 0.000 0.529 465 Q N -0.850 118.971 119.800 0.036 0.000 2.522 465 Q HA 0.654 4.995 4.340 0.003 0.000 0.285 465 Q C -2.037 173.961 176.000 -0.004 0.000 0.982 465 Q CA -1.025 54.789 55.803 0.018 0.000 0.805 465 Q CB 1.134 29.885 28.738 0.021 0.000 1.457 465 Q HN 0.362 nan 8.270 nan 0.000 0.394 466 V N 1.333 121.269 119.914 0.036 0.000 2.483 466 V HA 0.580 4.701 4.120 0.003 0.000 0.295 466 V C -0.518 175.630 176.094 0.089 0.000 1.035 466 V CA -0.595 61.743 62.300 0.064 0.000 0.896 466 V CB 1.652 33.523 31.823 0.079 0.000 0.986 466 V HN 0.624 nan 8.190 nan 0.000 0.447 467 V N 6.060 126.061 119.914 0.146 0.000 2.540 467 V HA 0.552 4.674 4.120 0.003 0.000 0.302 467 V C -0.279 176.007 176.094 0.319 0.000 1.035 467 V CA -0.541 61.894 62.300 0.226 0.000 0.873 467 V CB 1.772 33.755 31.823 0.267 0.000 0.992 467 V HN 0.634 nan 8.190 nan 0.000 0.428 468 L N 4.574 125.882 121.223 0.140 0.000 2.322 468 L HA 0.603 4.945 4.340 0.003 0.000 0.269 468 L C -2.466 174.049 176.870 -0.592 0.000 1.012 468 L CA -2.162 52.595 54.840 -0.138 0.000 0.815 468 L CB 1.997 43.980 42.059 -0.126 0.000 1.295 468 L HN 0.382 nan 8.230 nan 0.000 0.438 469 P HA 0.154 nan 4.420 nan 0.000 0.265 469 P C -1.220 175.613 177.300 -0.778 0.000 1.187 469 P CA 0.075 62.148 63.100 -1.713 0.000 0.766 469 P CB 0.666 31.671 31.700 -1.160 0.000 0.820 470 A N 2.552 124.998 122.820 -0.623 0.000 2.540 470 A HA 0.375 4.696 4.320 0.003 0.000 0.297 470 A C 0.215 177.715 177.584 -0.139 0.000 1.056 470 A CA -0.575 51.315 52.037 -0.246 0.000 0.700 470 A CB 1.282 20.215 19.000 -0.111 0.000 1.280 470 A HN 0.433 nan 8.150 nan 0.000 0.398 471 K N 0.382 120.718 120.400 -0.107 0.000 2.354 471 K HA 0.175 4.497 4.320 0.003 0.000 0.194 471 K C -0.083 176.476 176.600 -0.068 0.000 1.045 471 K CA 0.692 56.935 56.287 -0.073 0.000 1.026 471 K CB 0.675 33.130 32.500 -0.074 0.000 0.866 471 K HN 0.798 nan 8.250 nan 0.000 0.530 472 E N -0.301 119.860 120.200 -0.064 0.000 2.359 472 E HA 0.482 4.834 4.350 0.003 0.000 0.266 472 E C -0.154 176.416 176.600 -0.049 0.000 0.920 472 E CA -0.720 55.643 56.400 -0.061 0.000 0.788 472 E CB 1.952 31.621 29.700 -0.051 0.000 1.279 472 E HN 0.134 nan 8.360 nan 0.000 0.438 473 G N -0.122 108.646 108.800 -0.053 0.000 2.697 473 G HA2 -0.297 3.665 3.960 0.003 0.000 0.240 473 G HA3 -0.297 3.665 3.960 0.003 0.000 0.240 473 G C 0.651 175.529 174.900 -0.036 0.000 1.346 473 G CA -0.222 44.858 45.100 -0.034 0.000 0.887 473 G HN 0.570 nan 8.290 nan 0.000 0.569 474 V N 0.377 120.282 119.914 -0.015 0.000 2.594 474 V HA -0.067 4.054 4.120 0.003 0.000 0.253 474 V C 2.640 178.728 176.094 -0.009 0.000 1.069 474 V CA 3.260 65.539 62.300 -0.035 0.000 1.082 474 V CB -0.592 31.206 31.823 -0.042 0.000 0.680 474 V HN 0.745 nan 8.190 nan 0.000 0.469 475 E N 0.816 121.028 120.200 0.019 0.000 2.110 475 E HA -0.169 4.182 4.350 0.003 0.000 0.193 475 E C 2.399 179.040 176.600 0.069 0.000 0.988 475 E CA 1.619 58.046 56.400 0.045 0.000 0.804 475 E CB -0.406 29.308 29.700 0.024 0.000 0.745 475 E HN 0.843 nan 8.360 nan 0.000 0.458 476 S N -0.605 115.114 115.700 0.030 0.000 2.402 476 S HA -0.118 4.354 4.470 0.003 0.000 0.229 476 S C 2.013 176.665 174.600 0.087 0.000 1.021 476 S CA 1.402 59.637 58.200 0.059 0.000 0.974 476 S CB -0.520 62.666 63.200 -0.024 0.000 0.800 476 S HN 0.148 nan 8.310 nan 0.000 0.484 477 T N 2.625 117.197 114.554 0.031 0.000 2.812 477 T HA 0.202 4.553 4.350 0.003 0.000 0.264 477 T C 1.708 176.467 174.700 0.098 0.000 1.042 477 T CA 1.280 63.413 62.100 0.056 0.000 1.140 477 T CB -0.423 68.460 68.868 0.026 0.000 0.870 477 T HN 0.393 nan 8.240 nan 0.000 0.445 478 I N 0.292 120.915 120.570 0.090 0.000 2.286 478 I HA -0.154 4.018 4.170 0.003 0.000 0.248 478 I C 2.438 178.657 176.117 0.171 0.000 1.115 478 I CA 1.163 62.534 61.300 0.118 0.000 1.392 478 I CB -0.280 37.787 38.000 0.110 0.000 1.065 478 I HN 0.458 nan 8.210 nan 0.000 0.418 479 W N 1.584 122.885 121.300 0.002 0.000 2.381 479 W HA -0.236 4.426 4.660 0.003 0.000 0.301 479 W C 2.274 178.774 176.519 -0.032 0.000 1.205 479 W CA 0.979 58.310 57.345 -0.024 0.000 1.285 479 W CB -0.135 29.295 29.460 -0.050 0.000 1.133 479 W HN 0.146 nan 8.180 nan 0.000 0.521 480 L N 1.587 122.782 121.223 -0.047 0.000 2.046 480 L HA -0.191 4.151 4.340 0.003 0.000 0.208 480 L C 2.450 179.311 176.870 -0.014 0.000 1.077 480 L CA 1.925 56.702 54.840 -0.106 0.000 0.747 480 L CB -1.091 41.010 42.059 0.069 0.000 0.896 480 L HN -0.025 nan 8.230 nan 0.000 0.432 481 L N -0.781 120.472 121.223 0.049 0.000 2.093 481 L HA -0.150 4.192 4.340 0.003 0.000 0.208 481 L C 2.687 179.496 176.870 -0.101 0.000 1.085 481 L CA 1.062 55.876 54.840 -0.044 0.000 0.755 481 L CB -0.949 41.137 42.059 0.044 0.000 0.904 481 L HN 0.370 nan 8.230 nan 0.000 0.435 482 A N 0.187 122.981 122.820 -0.043 0.000 1.908 482 A HA -0.229 4.093 4.320 0.003 0.000 0.218 482 A C 2.337 179.776 177.584 -0.242 0.000 1.181 482 A CA 1.702 53.712 52.037 -0.044 0.000 0.627 482 A CB -0.354 18.556 19.000 -0.149 0.000 0.818 482 A HN 0.317 nan 8.150 nan 0.000 0.445 483 K N -0.430 119.628 120.400 -0.570 0.000 2.097 483 K HA -0.069 4.253 4.320 0.003 0.000 0.206 483 K C 2.315 178.807 176.600 -0.179 0.000 1.049 483 K CA 1.063 56.969 56.287 -0.634 0.000 0.933 483 K CB -0.325 31.532 32.500 -1.073 0.000 0.717 483 K HN 0.456 nan 8.250 nan 0.000 0.442 484 A N 0.747 123.471 122.820 -0.159 0.000 1.902 484 A HA -0.179 4.143 4.320 0.003 0.000 0.217 484 A C 1.867 179.327 177.584 -0.206 0.000 1.181 484 A CA 1.317 53.238 52.037 -0.193 0.000 0.623 484 A CB -0.739 17.980 19.000 -0.468 0.000 0.818 484 A HN 0.254 nan 8.150 nan 0.000 0.443 485 Y N -0.256 120.006 120.300 -0.063 0.000 2.224 485 Y HA -0.154 4.398 4.550 0.002 0.000 0.289 485 Y C 2.612 178.489 175.900 -0.039 0.000 1.146 485 Y CA 1.221 59.307 58.100 -0.024 0.000 1.182 485 Y CB -0.798 37.695 38.460 0.055 0.000 0.983 485 Y HN 0.093 nan 8.280 nan 0.000 0.524 486 V N -0.106 119.895 119.914 0.145 0.000 2.295 486 V HA -0.287 3.834 4.120 0.003 0.000 0.246 486 V C 2.198 178.367 176.094 0.124 0.000 1.049 486 V CA 1.493 63.890 62.300 0.162 0.000 1.024 486 V CB -0.576 31.419 31.823 0.286 0.000 0.648 486 V HN 0.323 nan 8.190 nan 0.000 0.447 487 I N -0.295 120.358 120.570 0.139 0.000 2.493 487 I HA -0.132 4.040 4.170 0.003 0.000 0.254 487 I C 2.425 178.549 176.117 0.013 0.000 1.160 487 I CA 1.200 62.558 61.300 0.098 0.000 1.445 487 I CB -1.139 36.936 38.000 0.125 0.000 1.086 487 I HN 0.165 nan 8.210 nan 0.000 0.433 488 V N 1.336 121.230 119.914 -0.033 0.000 2.295 488 V HA -0.280 3.841 4.120 0.003 0.000 0.246 488 V C 2.188 178.222 176.094 -0.101 0.000 1.049 488 V CA 1.891 64.161 62.300 -0.051 0.000 1.024 488 V CB -0.845 30.945 31.823 -0.054 0.000 0.648 488 V HN 0.478 nan 8.190 nan 0.000 0.447 489 N N -0.091 118.436 118.700 -0.287 0.000 2.069 489 N HA -0.249 4.492 4.740 0.003 0.000 0.191 489 N C 1.669 176.866 175.510 -0.521 0.000 1.031 489 N CA 1.702 54.306 53.050 -0.743 0.000 0.852 489 N CB -0.174 37.711 38.487 -1.002 0.000 1.018 489 N HN 0.551 nan 8.380 nan 0.000 0.423 490 D N -0.026 120.198 120.400 -0.293 0.000 2.117 490 D HA -0.099 4.542 4.640 0.003 0.000 0.197 490 D C 2.034 178.439 176.300 0.174 0.000 0.987 490 D CA 0.825 54.812 54.000 -0.022 0.000 0.829 490 D CB -0.017 40.886 40.800 0.171 0.000 0.961 490 D HN -0.008 nan 8.370 nan 0.000 0.460 491 S N -1.414 114.388 115.700 0.169 0.000 2.383 491 S HA -0.141 4.330 4.470 0.003 0.000 0.227 491 S C 2.142 176.995 174.600 0.423 0.000 1.026 491 S CA 1.107 59.499 58.200 0.319 0.000 0.981 491 S CB -0.576 62.783 63.200 0.265 0.000 0.818 491 S HN 0.495 nan 8.310 nan 0.000 0.472 492 C N 0.238 119.754 119.300 0.360 0.000 2.432 492 C HA 0.004 4.466 4.460 0.003 0.000 0.277 492 C C 2.320 177.439 174.990 0.215 0.000 1.249 492 C CA 0.840 60.055 59.018 0.329 0.000 1.725 492 C CB -1.654 26.338 27.740 0.420 0.000 2.028 492 C HN 0.791 nan 8.230 nan 0.000 0.477 493 Y N 0.364 120.761 120.300 0.161 0.000 2.242 493 Y HA -0.204 4.348 4.550 0.003 0.000 0.291 493 Y C 2.819 178.825 175.900 0.176 0.000 1.137 493 Y CA 2.201 60.395 58.100 0.157 0.000 1.181 493 Y CB -0.700 37.879 38.460 0.198 0.000 0.989 493 Y HN 0.510 nan 8.280 nan 0.000 0.527 494 H N -0.501 118.747 119.070 0.297 0.000 2.293 494 H HA -0.214 4.344 4.556 0.003 0.000 0.300 494 H C 2.062 177.473 175.328 0.139 0.000 1.082 494 H CA 2.024 58.205 56.048 0.222 0.000 1.308 494 H CB -0.055 29.828 29.762 0.201 0.000 1.375 494 H HN 0.359 nan 8.280 nan 0.000 0.495 495 Q N 0.708 120.432 119.800 -0.126 0.000 2.079 495 Q HA -0.038 4.304 4.340 0.003 0.000 0.200 495 Q C 2.649 178.506 176.000 -0.239 0.000 0.974 495 Q CA 1.528 57.169 55.803 -0.271 0.000 0.840 495 Q CB -0.179 28.291 28.738 -0.445 0.000 0.898 495 Q HN 0.557 nan 8.270 nan 0.000 0.430 496 L N -1.172 119.921 121.223 -0.217 0.000 2.162 496 L HA -0.014 4.328 4.340 0.003 0.000 0.205 496 L C 1.831 178.655 176.870 -0.077 0.000 1.086 496 L CA 0.381 55.136 54.840 -0.142 0.000 0.778 496 L CB -0.187 41.757 42.059 -0.191 0.000 0.928 496 L HN 0.279 nan 8.230 nan 0.000 0.446 497 M N -1.457 117.997 119.600 -0.243 0.000 2.755 497 M HA 0.111 4.593 4.480 0.003 0.000 0.247 497 M C 2.423 178.652 176.300 -0.119 0.000 1.275 497 M CA 0.891 56.008 55.300 -0.304 0.000 1.252 497 M CB -1.133 30.909 32.600 -0.930 0.000 1.215 497 M HN -0.096 nan 8.290 nan 0.000 0.527 498 S N -0.024 115.630 115.700 -0.077 0.000 2.383 498 S HA -0.172 4.300 4.470 0.003 0.000 0.229 498 S C 1.906 176.562 174.600 0.094 0.000 1.030 498 S CA 1.638 59.893 58.200 0.091 0.000 1.002 498 S CB -0.473 62.846 63.200 0.199 0.000 0.829 498 S HN 0.546 nan 8.310 nan 0.000 0.467 499 H N -1.196 117.796 119.070 -0.129 0.000 2.283 499 H HA 0.013 4.571 4.556 0.003 0.000 0.320 499 H C 2.177 177.561 175.328 0.092 0.000 1.074 499 H CA 0.494 56.514 56.048 -0.047 0.000 1.476 499 H CB -0.266 29.356 29.762 -0.233 0.000 1.465 499 H HN 0.452 nan 8.280 nan 0.000 0.573 500 W N 1.527 122.770 121.300 -0.094 0.000 2.353 500 W HA -0.231 4.431 4.660 0.003 0.000 0.319 500 W C 2.019 178.518 176.519 -0.032 0.000 1.207 500 W CA 1.360 58.611 57.345 -0.158 0.000 1.291 500 W CB -0.594 28.689 29.460 -0.295 0.000 1.159 500 W HN 0.369 nan 8.180 nan 0.000 0.478 501 L N 2.330 123.409 121.223 -0.240 0.000 1.994 501 L HA -0.215 4.126 4.340 0.003 0.000 0.208 501 L C 1.991 178.715 176.870 -0.243 0.000 1.071 501 L CA 2.367 57.002 54.840 -0.343 0.000 0.745 501 L CB -1.426 40.570 42.059 -0.105 0.000 0.892 501 L HN -0.125 nan 8.230 nan 0.000 0.431 502 N N -1.081 117.616 118.700 -0.005 0.000 2.396 502 N HA -0.090 4.651 4.740 0.003 0.000 0.180 502 N C 1.488 177.103 175.510 0.175 0.000 1.028 502 N CA 1.442 54.601 53.050 0.182 0.000 0.893 502 N CB -0.260 38.385 38.487 0.262 0.000 0.967 502 N HN 0.717 nan 8.380 nan 0.000 0.440 503 T N -2.780 111.827 114.554 0.088 0.000 3.499 503 T HA 0.088 4.440 4.350 0.003 0.000 0.227 503 T C 1.602 176.240 174.700 -0.102 0.000 0.946 503 T CA 0.016 62.164 62.100 0.080 0.000 1.368 503 T CB -0.338 68.652 68.868 0.202 0.000 1.227 503 T HN 0.014 nan 8.240 nan 0.000 0.398 504 H N 1.836 120.758 119.070 -0.248 0.000 2.265 504 H HA -0.083 4.475 4.556 0.003 0.000 0.293 504 H C 2.672 177.628 175.328 -0.620 0.000 1.089 504 H CA 2.164 57.925 56.048 -0.478 0.000 1.244 504 H CB -0.604 28.682 29.762 -0.794 0.000 1.355 504 H HN 0.581 nan 8.280 nan 0.000 0.485 505 A N 0.946 123.251 122.820 -0.858 0.000 1.897 505 A HA 0.058 4.379 4.320 0.003 0.000 0.215 505 A C 2.647 179.976 177.584 -0.425 0.000 1.181 505 A CA 1.353 52.970 52.037 -0.700 0.000 0.620 505 A CB -0.662 17.746 19.000 -0.988 0.000 0.821 505 A HN 0.448 nan 8.150 nan 0.000 0.443 506 A N -1.243 121.387 122.820 -0.318 0.000 2.015 506 A HA -0.027 4.295 4.320 0.003 0.000 0.219 506 A C 2.086 179.820 177.584 0.251 0.000 1.163 506 A CA 2.006 54.010 52.037 -0.056 0.000 0.646 506 A CB -0.394 18.639 19.000 0.054 0.000 0.806 506 A HN 0.519 nan 8.150 nan 0.000 0.448 507 M N -0.297 119.415 119.600 0.188 0.000 2.334 507 M HA 0.055 4.537 4.480 0.003 0.000 0.266 507 M C 1.701 178.101 176.300 0.166 0.000 1.082 507 M CA 1.712 57.220 55.300 0.347 0.000 1.141 507 M CB -0.391 32.350 32.600 0.235 0.000 1.380 507 M HN 0.537 nan 8.290 nan 0.000 0.440 508 E N -0.046 120.148 120.200 -0.009 0.000 2.097 508 E HA -0.198 4.154 4.350 0.003 0.000 0.196 508 E C -0.978 175.571 176.600 -0.085 0.000 1.000 508 E CA 1.569 57.938 56.400 -0.051 0.000 0.804 508 E CB -0.893 28.782 29.700 -0.041 0.000 0.740 508 E HN 0.344 nan 8.360 nan 0.000 0.454 509 P HA -0.152 nan 4.420 nan 0.000 0.216 509 P C 0.664 177.858 177.300 -0.177 0.000 1.150 509 P CA 1.257 64.224 63.100 -0.222 0.000 0.837 509 P CB -0.103 31.207 31.700 -0.649 0.000 0.786 510 F N -1.293 118.707 119.950 0.084 0.000 2.234 510 F HA -0.114 4.415 4.527 0.003 0.000 0.299 510 F C 2.277 178.043 175.800 -0.058 0.000 1.087 510 F CA 0.840 58.914 58.000 0.124 0.000 1.340 510 F CB -1.617 37.559 39.000 0.293 0.000 1.031 510 F HN -0.252 nan 8.300 nan 0.000 0.500 511 V N 0.312 120.088 119.914 -0.229 0.000 2.307 511 V HA -0.277 3.844 4.120 0.003 0.000 0.245 511 V C 2.336 178.430 176.094 0.000 0.000 1.045 511 V CA 1.690 63.679 62.300 -0.519 0.000 1.024 511 V CB -0.635 30.976 31.823 -0.354 0.000 0.651 511 V HN 0.255 nan 8.190 nan 0.000 0.449 512 I N 0.676 121.269 120.570 0.039 0.000 2.127 512 I HA -0.263 3.909 4.170 0.003 0.000 0.241 512 I C 2.729 178.902 176.117 0.094 0.000 1.075 512 I CA 1.677 62.999 61.300 0.036 0.000 1.334 512 I CB -0.677 37.145 38.000 -0.296 0.000 1.040 512 I HN 0.281 nan 8.210 nan 0.000 0.405 513 A N 0.328 123.286 122.820 0.230 0.000 1.908 513 A HA -0.234 4.088 4.320 0.003 0.000 0.218 513 A C 2.382 180.325 177.584 0.598 0.000 1.181 513 A CA 2.596 54.890 52.037 0.429 0.000 0.627 513 A CB -1.204 17.970 19.000 0.289 0.000 0.818 513 A HN 0.429 nan 8.150 nan 0.000 0.445 514 T N -0.790 114.104 114.554 0.568 0.000 2.684 514 T HA -0.154 4.198 4.350 0.003 0.000 0.267 514 T C 1.803 176.550 174.700 0.078 0.000 1.036 514 T CA 1.577 63.886 62.100 0.349 0.000 1.148 514 T CB -0.479 68.550 68.868 0.269 0.000 0.863 514 T HN 0.630 nan 8.240 nan 0.000 0.436 515 H N 0.783 119.855 119.070 0.004 0.000 2.428 515 H HA 0.147 4.705 4.556 0.003 0.000 0.296 515 H C 2.496 177.716 175.328 -0.180 0.000 1.062 515 H CA 0.859 56.776 56.048 -0.218 0.000 1.350 515 H CB 0.078 29.182 29.762 -1.098 0.000 1.403 515 H HN 0.305 nan 8.280 nan 0.000 0.533 516 R N -0.400 120.099 120.500 -0.001 0.000 2.148 516 R HA -0.039 4.303 4.340 0.003 0.000 0.223 516 R C 1.180 177.301 176.300 -0.298 0.000 1.088 516 R CA 0.816 56.852 56.100 -0.107 0.000 0.985 516 R CB 0.244 30.501 30.300 -0.072 0.000 0.880 516 R HN 0.428 nan 8.270 nan 0.000 0.451 517 H N -1.387 117.793 119.070 0.184 0.000 3.255 517 H HA 0.259 4.817 4.556 0.003 0.000 0.256 517 H C -0.078 175.294 175.328 0.074 0.000 1.049 517 H CA 0.047 56.201 56.048 0.178 0.000 1.202 517 H CB 0.961 30.915 29.762 0.320 0.000 1.497 517 H HN -0.034 nan 8.280 nan 0.000 0.503 518 L N 1.999 123.274 121.223 0.086 0.000 2.280 518 L HA 0.257 4.599 4.340 0.003 0.000 0.287 518 L C 0.699 177.529 176.870 -0.067 0.000 1.023 518 L CA -0.520 54.265 54.840 -0.093 0.000 0.819 518 L CB 1.927 43.811 42.059 -0.291 0.000 1.212 518 L HN -0.013 nan 8.230 nan 0.000 0.420 519 S N 1.625 117.264 115.700 -0.102 0.000 2.573 519 S HA 0.061 4.532 4.470 0.003 0.000 0.277 519 S C 1.430 175.684 174.600 -0.577 0.000 1.346 519 S CA -0.463 57.580 58.200 -0.262 0.000 1.034 519 S CB 1.367 64.433 63.200 -0.223 0.000 0.879 519 S HN 0.468 nan 8.310 nan 0.000 0.528 520 V N 3.447 122.883 119.914 -0.796 0.000 2.688 520 V HA -0.117 4.005 4.120 0.003 0.000 0.256 520 V C 1.830 177.625 176.094 -0.498 0.000 1.084 520 V CA 1.785 63.446 62.300 -1.066 0.000 1.103 520 V CB -1.225 30.308 31.823 -0.483 0.000 0.688 520 V HN 0.799 nan 8.190 nan 0.000 0.480 521 L N -0.817 120.176 121.223 -0.384 0.000 2.418 521 L HA 0.139 4.481 4.340 0.003 0.000 0.218 521 L C 1.592 178.370 176.870 -0.154 0.000 1.125 521 L CA 0.345 55.039 54.840 -0.243 0.000 0.835 521 L CB -0.642 41.269 42.059 -0.248 0.000 0.953 521 L HN 0.392 nan 8.230 nan 0.000 0.454 522 H N 2.507 121.457 119.070 -0.200 0.000 2.886 522 H HA 0.032 4.589 4.556 0.003 0.000 0.329 522 H C -1.519 173.746 175.328 -0.106 0.000 1.044 522 H CA -1.549 54.423 56.048 -0.127 0.000 1.456 522 H CB 1.558 31.270 29.762 -0.083 0.000 1.464 522 H HN -0.086 nan 8.280 nan 0.000 0.573 523 P HA -0.171 nan 4.420 nan 0.000 0.218 523 P C 1.529 178.959 177.300 0.216 0.000 1.148 523 P CA 0.881 63.845 63.100 -0.227 0.000 0.822 523 P CB 0.520 31.596 31.700 -1.041 0.000 0.784 524 I N -1.707 119.093 120.570 0.384 0.000 2.500 524 I HA -0.163 4.009 4.170 0.003 0.000 0.252 524 I C 2.587 178.667 176.117 -0.062 0.000 1.142 524 I CA 0.791 62.151 61.300 0.099 0.000 1.451 524 I CB -1.682 36.253 38.000 -0.109 0.000 1.093 524 I HN -0.081 nan 8.210 nan 0.000 0.430 525 Y N 2.558 122.783 120.300 -0.125 0.000 2.145 525 Y HA -0.227 4.325 4.550 0.003 0.000 0.286 525 Y C 2.513 178.338 175.900 -0.125 0.000 1.145 525 Y CA 1.867 59.861 58.100 -0.177 0.000 1.148 525 Y CB -0.146 38.236 38.460 -0.130 0.000 0.981 525 Y HN 0.024 nan 8.280 nan 0.000 0.507 526 K N -0.390 120.150 120.400 0.233 0.000 2.148 526 K HA -0.158 4.164 4.320 0.003 0.000 0.204 526 K C 1.931 178.451 176.600 -0.133 0.000 1.050 526 K CA 1.370 57.746 56.287 0.148 0.000 0.942 526 K CB -0.356 32.358 32.500 0.355 0.000 0.724 526 K HN 0.309 nan 8.250 nan 0.000 0.446 527 L N 1.022 122.134 121.223 -0.184 0.000 2.056 527 L HA -0.106 4.235 4.340 0.003 0.000 0.207 527 L C 1.761 178.484 176.870 -0.245 0.000 1.078 527 L CA 1.580 56.190 54.840 -0.384 0.000 0.749 527 L CB -0.076 41.694 42.059 -0.483 0.000 0.901 527 L HN 0.089 nan 8.230 nan 0.000 0.433 528 L N -1.453 119.600 121.223 -0.283 0.000 2.202 528 L HA -0.026 4.316 4.340 0.003 0.000 0.205 528 L C 2.448 178.847 176.870 -0.786 0.000 1.083 528 L CA 1.050 55.668 54.840 -0.370 0.000 0.790 528 L CB -1.119 40.763 42.059 -0.296 0.000 0.942 528 L HN 0.380 nan 8.230 nan 0.000 0.452 529 T N -2.083 112.004 114.554 -0.777 0.000 2.778 529 T HA -0.104 4.247 4.350 0.003 0.000 0.269 529 T C -0.540 173.851 174.700 -0.516 0.000 1.050 529 T CA 0.826 62.474 62.100 -0.753 0.000 1.137 529 T CB -1.645 66.795 68.868 -0.713 0.000 0.860 529 T HN 0.162 nan 8.240 nan 0.000 0.468 530 P HA -0.064 nan 4.420 nan 0.000 0.220 530 P C 1.089 178.075 177.300 -0.523 0.000 1.148 530 P CA 0.953 63.756 63.100 -0.496 0.000 0.803 530 P CB -0.196 31.117 31.700 -0.646 0.000 0.782 531 H N -2.757 116.136 119.070 -0.295 0.000 2.543 531 H HA 0.100 4.657 4.556 0.003 0.000 0.269 531 H C 0.415 175.754 175.328 0.019 0.000 1.005 531 H CA 0.736 56.689 56.048 -0.158 0.000 1.146 531 H CB -0.029 29.641 29.762 -0.154 0.000 1.353 531 H HN 0.288 nan 8.280 nan 0.000 0.595 532 Y N -0.120 120.216 120.300 0.061 0.000 2.481 532 Y HA 0.172 4.723 4.550 0.003 0.000 0.247 532 Y C 1.347 177.286 175.900 0.064 0.000 1.151 532 Y CA -0.947 57.205 58.100 0.088 0.000 1.238 532 Y CB 0.098 38.633 38.460 0.126 0.000 1.179 532 Y HN -0.060 nan 8.280 nan 0.000 0.524 533 R N 2.410 123.002 120.500 0.154 0.000 2.485 533 R HA -0.152 4.189 4.340 0.003 0.000 0.304 533 R C 0.527 176.892 176.300 0.108 0.000 0.934 533 R CA 0.894 57.059 56.100 0.109 0.000 1.102 533 R CB -0.157 30.165 30.300 0.037 0.000 0.906 533 R HN 0.389 nan 8.270 nan 0.000 0.407 534 N N 1.693 120.461 118.700 0.114 0.000 2.900 534 N HA -0.311 4.430 4.740 0.003 0.000 0.240 534 N C 0.484 176.053 175.510 0.098 0.000 0.953 534 N CA 1.712 54.825 53.050 0.106 0.000 0.950 534 N CB -1.420 37.139 38.487 0.121 0.000 1.102 534 N HN 0.867 nan 8.380 nan 0.000 0.593 535 N N -0.580 118.176 118.700 0.093 0.000 2.058 535 N HA -0.076 4.665 4.740 0.003 0.000 0.191 535 N C 1.684 177.242 175.510 0.079 0.000 1.037 535 N CA 1.498 54.586 53.050 0.063 0.000 0.848 535 N CB -0.098 38.425 38.487 0.059 0.000 1.021 535 N HN 0.361 nan 8.380 nan 0.000 0.422 536 M N 0.284 119.923 119.600 0.065 0.000 2.159 536 M HA -0.132 4.349 4.480 0.003 0.000 0.263 536 M C 1.878 178.199 176.300 0.035 0.000 1.063 536 M CA 1.065 56.386 55.300 0.035 0.000 1.110 536 M CB -0.341 32.252 32.600 -0.013 0.000 1.374 536 M HN 0.238 nan 8.290 nan 0.000 0.411 537 N N 1.454 120.176 118.700 0.038 0.000 2.058 537 N HA -0.140 4.601 4.740 0.003 0.000 0.191 537 N C 1.592 177.148 175.510 0.075 0.000 1.037 537 N CA 1.664 54.735 53.050 0.035 0.000 0.848 537 N CB -0.322 38.192 38.487 0.046 0.000 1.021 537 N HN 0.515 nan 8.380 nan 0.000 0.422 538 I N -2.069 118.573 120.570 0.119 0.000 2.361 538 I HA -0.122 4.050 4.170 0.003 0.000 0.251 538 I C 1.317 177.552 176.117 0.197 0.000 1.133 538 I CA 1.342 62.737 61.300 0.158 0.000 1.413 538 I CB -0.494 37.642 38.000 0.226 0.000 1.073 538 I HN -0.050 nan 8.210 nan 0.000 0.424 539 N N 2.095 120.939 118.700 0.240 0.000 2.120 539 N HA -0.080 4.662 4.740 0.003 0.000 0.188 539 N C 2.056 177.704 175.510 0.229 0.000 1.024 539 N CA 1.959 55.210 53.050 0.335 0.000 0.852 539 N CB -0.463 38.200 38.487 0.295 0.000 1.003 539 N HN 0.564 nan 8.380 nan 0.000 0.424 540 A N 0.697 123.597 122.820 0.134 0.000 1.902 540 A HA -0.030 4.292 4.320 0.003 0.000 0.217 540 A C 2.250 179.827 177.584 -0.010 0.000 1.181 540 A CA 0.916 53.027 52.037 0.123 0.000 0.623 540 A CB -0.722 18.341 19.000 0.105 0.000 0.818 540 A HN 0.234 nan 8.150 nan 0.000 0.443 541 L N -0.879 120.324 121.223 -0.034 0.000 2.201 541 L HA -0.149 4.193 4.340 0.003 0.000 0.212 541 L C 2.991 179.760 176.870 -0.168 0.000 1.105 541 L CA 0.831 55.593 54.840 -0.131 0.000 0.775 541 L CB -0.405 41.623 42.059 -0.053 0.000 0.913 541 L HN 0.443 nan 8.230 nan 0.000 0.440 542 A N 0.070 122.842 122.820 -0.080 0.000 1.897 542 A HA -0.143 4.178 4.320 0.003 0.000 0.215 542 A C 2.370 179.816 177.584 -0.230 0.000 1.181 542 A CA 1.026 52.969 52.037 -0.157 0.000 0.620 542 A CB -0.349 18.593 19.000 -0.098 0.000 0.821 542 A HN 0.286 nan 8.150 nan 0.000 0.443 543 R N -0.672 119.760 120.500 -0.114 0.000 2.152 543 R HA -0.157 4.185 4.340 0.003 0.000 0.232 543 R C 2.401 178.572 176.300 -0.215 0.000 1.117 543 R CA 1.517 57.588 56.100 -0.048 0.000 0.981 543 R CB -0.224 30.193 30.300 0.194 0.000 0.870 543 R HN 0.798 nan 8.270 nan 0.000 0.451 544 Q N -0.316 119.125 119.800 -0.599 0.000 2.163 544 Q HA -0.016 4.325 4.340 0.003 0.000 0.198 544 Q C 0.905 176.651 176.000 -0.424 0.000 0.954 544 Q CA 1.346 56.604 55.803 -0.908 0.000 0.851 544 Q CB 0.448 28.326 28.738 -1.433 0.000 0.928 544 Q HN 0.131 nan 8.270 nan 0.000 0.459 545 S N -0.803 114.707 115.700 -0.317 0.000 2.628 545 S HA 0.110 4.582 4.470 0.003 0.000 0.246 545 S C 1.010 175.503 174.600 -0.179 0.000 1.062 545 S CA -0.299 57.776 58.200 -0.210 0.000 1.028 545 S CB 0.531 63.628 63.200 -0.171 0.000 0.985 545 S HN 0.266 nan 8.310 nan 0.000 0.551 546 L N 2.056 123.146 121.223 -0.221 0.000 2.269 546 L HA 0.483 4.825 4.340 0.003 0.000 0.200 546 L C 1.211 177.898 176.870 -0.306 0.000 1.069 546 L CA 1.220 55.917 54.840 -0.240 0.000 0.804 546 L CB -0.003 41.890 42.059 -0.277 0.000 0.987 546 L HN 0.390 nan 8.230 nan 0.000 0.468 547 I N -1.454 118.885 120.570 -0.385 0.000 3.927 547 I HA 0.272 4.443 4.170 0.003 0.000 0.332 547 I C -0.028 175.921 176.117 -0.279 0.000 1.485 547 I CA -0.651 60.397 61.300 -0.421 0.000 1.131 547 I CB -0.605 36.974 38.000 -0.702 0.000 1.092 547 I HN 0.183 nan 8.210 nan 0.000 0.410 548 N N 2.397 120.973 118.700 -0.207 0.000 2.381 548 N HA 0.255 4.997 4.740 0.003 0.000 0.254 548 N C 0.115 175.547 175.510 -0.130 0.000 1.264 548 N CA -0.230 52.738 53.050 -0.137 0.000 0.942 548 N CB 0.953 39.373 38.487 -0.111 0.000 1.190 548 N HN 0.182 nan 8.380 nan 0.000 0.495 549 A N 0.657 123.415 122.820 -0.103 0.000 2.522 549 A HA 0.099 4.421 4.320 0.003 0.000 0.256 549 A C 0.732 178.263 177.584 -0.089 0.000 1.086 549 A CA 0.115 52.090 52.037 -0.104 0.000 0.763 549 A CB -1.129 17.818 19.000 -0.088 0.000 1.024 549 A HN 0.918 nan 8.150 nan 0.000 0.502 550 N N 0.040 118.685 118.700 -0.092 0.000 2.800 550 N HA -0.149 4.593 4.740 0.003 0.000 0.250 550 N C 0.548 176.015 175.510 -0.071 0.000 1.078 550 N CA 1.625 54.631 53.050 -0.074 0.000 0.804 550 N CB -1.406 37.044 38.487 -0.062 0.000 1.135 550 N HN 1.196 nan 8.380 nan 0.000 0.565 551 G N -0.428 108.319 108.800 -0.090 0.000 2.553 551 G HA2 0.370 4.331 3.960 0.003 0.000 0.278 551 G HA3 0.370 4.331 3.960 0.003 0.000 0.278 551 G C 1.453 176.312 174.900 -0.069 0.000 1.349 551 G CA -0.018 45.025 45.100 -0.094 0.000 1.037 551 G HN 0.101 nan 8.290 nan 0.000 0.508 552 I N 0.107 120.639 120.570 -0.064 0.000 2.127 552 I HA -0.138 4.033 4.170 0.003 0.000 0.241 552 I C 2.782 178.915 176.117 0.027 0.000 1.075 552 I CA 1.043 62.337 61.300 -0.012 0.000 1.334 552 I CB -0.923 37.075 38.000 -0.002 0.000 1.040 552 I HN 0.271 nan 8.210 nan 0.000 0.405 553 I N 0.877 121.426 120.570 -0.035 0.000 2.179 553 I HA -0.232 3.940 4.170 0.003 0.000 0.242 553 I C 2.509 178.659 176.117 0.055 0.000 1.088 553 I CA 1.356 62.655 61.300 -0.001 0.000 1.357 553 I CB -1.248 36.600 38.000 -0.254 0.000 1.051 553 I HN 0.342 nan 8.210 nan 0.000 0.409 554 E N 0.294 120.470 120.200 -0.041 0.000 2.153 554 E HA -0.191 4.160 4.350 0.003 0.000 0.194 554 E C 1.855 178.454 176.600 -0.001 0.000 0.988 554 E CA 1.869 58.248 56.400 -0.036 0.000 0.811 554 E CB -0.070 29.575 29.700 -0.090 0.000 0.746 554 E HN 0.597 nan 8.360 nan 0.000 0.466 555 T N -2.439 112.116 114.554 0.002 0.000 3.107 555 T HA 0.020 4.372 4.350 0.003 0.000 0.249 555 T C 1.686 176.385 174.700 -0.002 0.000 1.096 555 T CA 0.938 63.032 62.100 -0.010 0.000 1.012 555 T CB 0.196 69.048 68.868 -0.025 0.000 0.977 555 T HN 0.133 nan 8.240 nan 0.000 0.527 556 T N -2.214 112.375 114.554 0.058 0.000 2.958 556 T HA 0.432 4.783 4.350 0.003 0.000 0.256 556 T C -0.068 174.559 174.700 -0.121 0.000 0.983 556 T CA -0.537 61.554 62.100 -0.014 0.000 0.924 556 T CB -0.138 68.736 68.868 0.010 0.000 1.136 556 T HN 0.222 nan 8.240 nan 0.000 0.506 557 F N 0.971 120.902 119.950 -0.032 0.000 2.470 557 F HA 0.587 5.116 4.527 0.002 0.000 0.329 557 F C 1.192 176.992 175.800 0.000 0.000 1.072 557 F CA -2.018 55.975 58.000 -0.013 0.000 0.989 557 F CB 1.592 40.586 39.000 -0.010 0.000 1.193 557 F HN -0.120 nan 8.300 nan 0.000 0.481 558 L N 4.186 125.510 121.223 0.168 0.000 2.030 558 L HA -0.189 4.153 4.340 0.003 0.000 0.222 558 L C -1.037 175.929 176.870 0.159 0.000 1.082 558 L CA 2.418 57.339 54.840 0.136 0.000 0.785 558 L CB -1.405 40.748 42.059 0.157 0.000 0.895 558 L HN 0.477 nan 8.230 nan 0.000 0.439 559 P HA -0.048 nan 4.420 nan 0.000 0.230 559 P C 0.958 178.343 177.300 0.142 0.000 1.158 559 P CA 1.017 64.228 63.100 0.185 0.000 0.769 559 P CB 0.107 31.877 31.700 0.117 0.000 0.807 560 S N 0.663 116.406 115.700 0.072 0.000 3.938 560 S HA -0.303 4.169 4.470 0.003 0.000 0.624 560 S C 1.530 176.065 174.600 -0.108 0.000 2.186 560 S CA 2.228 60.419 58.200 -0.015 0.000 4.144 560 S CB -1.590 61.596 63.200 -0.025 0.000 0.230 560 S HN 0.411 nan 8.310 nan 0.000 0.755 561 K N 0.521 120.773 120.400 -0.246 0.000 2.519 561 K HA -0.073 4.248 4.320 0.003 0.000 0.196 561 K C 1.290 177.655 176.600 -0.392 0.000 1.041 561 K CA 2.012 58.087 56.287 -0.353 0.000 0.954 561 K CB -0.398 31.837 32.500 -0.442 0.000 0.774 561 K HN 0.646 nan 8.250 nan 0.000 0.480 562 Y N 1.195 121.479 120.300 -0.025 0.000 2.457 562 Y HA 0.204 4.756 4.550 0.003 0.000 0.263 562 Y C 2.118 177.928 175.900 -0.150 0.000 1.164 562 Y CA -0.342 57.745 58.100 -0.023 0.000 1.274 562 Y CB 0.418 38.934 38.460 0.092 0.000 1.097 562 Y HN 0.052 nan 8.280 nan 0.000 0.523 563 S N 0.087 115.758 115.700 -0.048 0.000 2.359 563 S HA -0.194 4.277 4.470 0.003 0.000 0.222 563 S C 2.179 176.661 174.600 -0.197 0.000 1.038 563 S CA 1.996 60.117 58.200 -0.132 0.000 1.051 563 S CB -0.730 62.385 63.200 -0.142 0.000 0.944 563 S HN 0.272 nan 8.310 nan 0.000 0.433 564 V N 2.918 122.696 119.914 -0.227 0.000 2.358 564 V HA -0.191 3.930 4.120 0.003 0.000 0.246 564 V C 2.505 178.450 176.094 -0.248 0.000 1.047 564 V CA 1.993 64.127 62.300 -0.276 0.000 1.035 564 V CB -1.139 30.468 31.823 -0.359 0.000 0.658 564 V HN 0.702 nan 8.190 nan 0.000 0.452 565 E N 0.359 120.436 120.200 -0.206 0.000 2.204 565 E HA -0.241 4.110 4.350 0.003 0.000 0.195 565 E C 2.130 178.736 176.600 0.010 0.000 0.990 565 E CA 1.493 57.826 56.400 -0.112 0.000 0.821 565 E CB -0.464 29.216 29.700 -0.033 0.000 0.750 565 E HN 0.512 nan 8.360 nan 0.000 0.477 566 M N 1.720 121.205 119.600 -0.191 0.000 2.149 566 M HA -0.162 4.320 4.480 0.003 0.000 0.261 566 M C 2.560 178.799 176.300 -0.102 0.000 1.064 566 M CA 2.003 57.076 55.300 -0.378 0.000 1.102 566 M CB -0.366 31.843 32.600 -0.651 0.000 1.369 566 M HN 0.322 nan 8.290 nan 0.000 0.408 567 S N -1.072 114.603 115.700 -0.041 0.000 2.423 567 S HA -0.113 4.359 4.470 0.003 0.000 0.231 567 S C 1.911 176.695 174.600 0.306 0.000 1.014 567 S CA 1.458 59.721 58.200 0.105 0.000 0.965 567 S CB -0.454 62.853 63.200 0.178 0.000 0.785 567 S HN 0.462 nan 8.310 nan 0.000 0.495 568 S N 1.844 117.728 115.700 0.306 0.000 2.371 568 S HA 0.111 4.583 4.470 0.003 0.000 0.224 568 S C 2.137 176.989 174.600 0.419 0.000 1.029 568 S CA 1.005 59.482 58.200 0.462 0.000 0.978 568 S CB -0.866 62.527 63.200 0.321 0.000 0.833 568 S HN 0.770 nan 8.310 nan 0.000 0.466 569 A N 0.854 123.869 122.820 0.325 0.000 1.902 569 A HA 0.001 4.322 4.320 0.003 0.000 0.217 569 A C 2.310 180.046 177.584 0.254 0.000 1.181 569 A CA 1.780 53.989 52.037 0.285 0.000 0.623 569 A CB -0.999 18.189 19.000 0.315 0.000 0.818 569 A HN 0.463 nan 8.150 nan 0.000 0.443 570 V N -1.502 118.552 119.914 0.234 0.000 2.427 570 V HA -0.241 3.881 4.120 0.003 0.000 0.248 570 V C 2.329 178.599 176.094 0.293 0.000 1.051 570 V CA 1.875 64.315 62.300 0.234 0.000 1.048 570 V CB -0.992 30.929 31.823 0.164 0.000 0.666 570 V HN 0.722 nan 8.190 nan 0.000 0.456 571 Y N 1.502 121.917 120.300 0.192 0.000 2.333 571 Y HA -0.216 4.336 4.550 0.003 0.000 0.290 571 Y C 2.314 178.376 175.900 0.270 0.000 1.144 571 Y CA 1.401 59.621 58.100 0.200 0.000 1.228 571 Y CB -0.323 38.199 38.460 0.103 0.000 0.985 571 Y HN 0.223 nan 8.280 nan 0.000 0.542 572 K N -0.054 120.468 120.400 0.202 0.000 2.218 572 K HA -0.214 4.107 4.320 0.003 0.000 0.205 572 K C 0.965 177.618 176.600 0.089 0.000 1.046 572 K CA 1.851 58.207 56.287 0.115 0.000 0.933 572 K CB -0.316 32.274 32.500 0.150 0.000 0.728 572 K HN 0.528 nan 8.250 nan 0.000 0.454 573 N N -0.856 117.915 118.700 0.118 0.000 2.203 573 N HA 0.006 4.748 4.740 0.003 0.000 0.207 573 N C -0.620 174.921 175.510 0.052 0.000 1.130 573 N CA -0.491 52.612 53.050 0.089 0.000 0.861 573 N CB 0.266 38.813 38.487 0.100 0.000 1.005 573 N HN 0.180 nan 8.380 nan 0.000 0.507 574 W N 2.014 123.224 121.300 -0.149 0.000 2.253 574 W HA 0.309 4.971 4.660 0.003 0.000 0.322 574 W C -0.829 175.437 176.519 -0.420 0.000 1.342 574 W CA -0.119 57.111 57.345 -0.193 0.000 1.218 574 W CB 0.524 29.924 29.460 -0.100 0.000 1.205 574 W HN -0.338 nan 8.180 nan 0.000 0.551 575 V N 9.869 129.034 119.914 -1.249 0.000 2.443 575 V HA 0.065 4.187 4.120 0.003 0.000 0.293 575 V C 0.548 175.456 176.094 -1.977 0.000 1.021 575 V CA -0.858 60.255 62.300 -1.978 0.000 0.848 575 V CB 0.796 31.691 31.823 -1.546 0.000 0.998 575 V HN 0.721 nan 8.190 nan 0.000 0.424 576 F N 4.427 123.019 119.950 -2.263 0.000 2.091 576 F HA -0.248 4.281 4.527 0.003 0.000 0.299 576 F C 2.487 177.887 175.800 -0.667 0.000 1.103 576 F CA 2.844 60.073 58.000 -1.284 0.000 1.228 576 F CB -0.106 38.562 39.000 -0.553 0.000 0.984 576 F HN 0.622 nan 8.300 nan 0.000 0.477 577 T N -3.075 111.110 114.554 -0.615 0.000 3.035 577 T HA -0.101 4.250 4.350 0.003 0.000 0.268 577 T C 1.332 175.743 174.700 -0.481 0.000 1.109 577 T CA 1.156 62.996 62.100 -0.434 0.000 1.119 577 T CB -0.461 68.325 68.868 -0.137 0.000 0.900 577 T HN 0.200 nan 8.240 nan 0.000 0.503 578 D N 0.974 121.003 120.400 -0.619 0.000 2.340 578 D HA 0.048 4.689 4.640 0.003 0.000 0.220 578 D C 1.925 177.974 176.300 -0.419 0.000 1.039 578 D CA 0.244 53.953 54.000 -0.484 0.000 0.866 578 D CB 0.053 40.557 40.800 -0.493 0.000 0.913 578 D HN 0.356 nan 8.370 nan 0.000 0.523 579 Q N 0.220 119.739 119.800 -0.468 0.000 2.432 579 Q HA 0.148 4.489 4.340 0.003 0.000 0.205 579 Q C 0.662 176.557 176.000 -0.175 0.000 0.945 579 Q CA 0.051 55.710 55.803 -0.240 0.000 0.924 579 Q CB -0.076 28.548 28.738 -0.191 0.000 1.016 579 Q HN 0.136 nan 8.270 nan 0.000 0.503 580 A N 1.284 123.897 122.820 -0.345 0.000 2.511 580 A HA 0.071 4.393 4.320 0.003 0.000 0.242 580 A C 1.227 178.225 177.584 -0.977 0.000 1.069 580 A CA -0.220 51.474 52.037 -0.571 0.000 0.763 580 A CB 0.162 18.947 19.000 -0.358 0.000 1.001 580 A HN 0.270 nan 8.150 nan 0.000 0.498 581 L N 4.196 124.348 121.223 -1.785 0.000 2.012 581 L HA -0.054 4.288 4.340 0.003 0.000 0.210 581 L C -0.795 175.487 176.870 -0.980 0.000 1.073 581 L CA 2.554 56.595 54.840 -1.331 0.000 0.748 581 L CB -1.229 39.802 42.059 -1.714 0.000 0.891 581 L HN 0.532 nan 8.230 nan 0.000 0.431 582 P HA -0.142 nan 4.420 nan 0.000 0.215 582 P C 1.582 178.628 177.300 -0.423 0.000 1.157 582 P CA 2.032 64.755 63.100 -0.629 0.000 0.868 582 P CB -0.207 31.180 31.700 -0.521 0.000 0.788 583 A N -0.135 122.433 122.820 -0.421 0.000 1.908 583 A HA -0.267 4.054 4.320 0.003 0.000 0.218 583 A C 2.196 179.625 177.584 -0.259 0.000 1.181 583 A CA 2.322 54.183 52.037 -0.294 0.000 0.627 583 A CB -1.707 17.119 19.000 -0.289 0.000 0.818 583 A HN 0.197 nan 8.150 nan 0.000 0.445 584 D N -0.178 120.048 120.400 -0.291 0.000 2.097 584 D HA -0.133 4.509 4.640 0.003 0.000 0.195 584 D C 1.821 178.044 176.300 -0.129 0.000 0.989 584 D CA 1.425 55.313 54.000 -0.186 0.000 0.827 584 D CB -0.231 40.483 40.800 -0.142 0.000 0.966 584 D HN 0.426 nan 8.370 nan 0.000 0.456 585 L N 0.002 121.121 121.223 -0.174 0.000 2.046 585 L HA -0.122 4.219 4.340 0.003 0.000 0.208 585 L C 2.619 179.446 176.870 -0.071 0.000 1.077 585 L CA 0.785 55.559 54.840 -0.111 0.000 0.747 585 L CB -0.416 41.529 42.059 -0.189 0.000 0.896 585 L HN 0.182 nan 8.230 nan 0.000 0.432 586 I N -0.206 120.297 120.570 -0.112 0.000 2.252 586 I HA -0.284 3.888 4.170 0.003 0.000 0.245 586 I C 2.719 178.798 176.117 -0.064 0.000 1.102 586 I CA 1.224 62.476 61.300 -0.081 0.000 1.385 586 I CB -0.275 37.664 38.000 -0.101 0.000 1.064 586 I HN 0.229 nan 8.210 nan 0.000 0.414 587 K N 1.311 121.660 120.400 -0.086 0.000 2.103 587 K HA -0.155 4.167 4.320 0.003 0.000 0.207 587 K C 2.051 178.626 176.600 -0.041 0.000 1.048 587 K CA 1.411 57.653 56.287 -0.075 0.000 0.930 587 K CB 0.003 32.438 32.500 -0.108 0.000 0.716 587 K HN 0.224 nan 8.250 nan 0.000 0.444 588 R N -0.687 119.801 120.500 -0.020 0.000 2.313 588 R HA 0.026 4.368 4.340 0.003 0.000 0.199 588 R C 0.755 177.084 176.300 0.047 0.000 0.958 588 R CA 0.564 56.674 56.100 0.018 0.000 1.047 588 R CB 0.189 30.519 30.300 0.050 0.000 0.955 588 R HN 0.506 nan 8.270 nan 0.000 0.481 589 G N 1.159 109.978 108.800 0.031 0.000 2.198 589 G HA2 -0.272 3.689 3.960 0.003 0.000 0.260 589 G HA3 -0.272 3.689 3.960 0.003 0.000 0.260 589 G C 0.595 175.580 174.900 0.142 0.000 1.025 589 G CA 0.502 45.628 45.100 0.044 0.000 0.769 589 G HN 0.349 nan 8.290 nan 0.000 0.507 590 V N -4.333 115.683 119.914 0.170 0.000 3.578 590 V HA 0.824 4.945 4.120 0.003 0.000 0.290 590 V C 0.787 176.979 176.094 0.163 0.000 1.376 590 V CA 0.847 63.305 62.300 0.264 0.000 1.083 590 V CB 0.079 32.079 31.823 0.294 0.000 0.911 590 V HN 1.985 nan 8.190 nan 0.000 0.433 591 A N 1.015 123.882 122.820 0.078 0.000 2.612 591 A HA 0.869 5.191 4.320 0.003 0.000 0.293 591 A C -1.054 176.530 177.584 -0.001 0.000 1.075 591 A CA -0.481 51.570 52.037 0.023 0.000 0.680 591 A CB 1.777 20.755 19.000 -0.037 0.000 1.279 591 A HN 0.890 nan 8.150 nan 0.000 0.411 592 I N -1.713 118.851 120.570 -0.010 0.000 2.785 592 I HA 0.639 4.811 4.170 0.003 0.000 0.302 592 I C -0.212 175.888 176.117 -0.029 0.000 1.069 592 I CA -0.987 60.302 61.300 -0.018 0.000 1.045 592 I CB 2.010 40.005 38.000 -0.008 0.000 1.236 592 I HN 0.685 nan 8.210 nan 0.000 0.429 593 K N 2.233 122.614 120.400 -0.033 0.000 2.401 593 K HA 0.121 4.442 4.320 0.003 0.000 0.278 593 K C -1.123 175.464 176.600 -0.021 0.000 1.018 593 K CA 0.272 56.539 56.287 -0.033 0.000 0.981 593 K CB 0.450 32.931 32.500 -0.033 0.000 0.933 593 K HN 0.795 nan 8.250 nan 0.000 0.477 594 D N 5.394 125.782 120.400 -0.019 0.000 2.318 594 D HA 0.210 4.852 4.640 0.003 0.000 0.233 594 D C -2.303 173.989 176.300 -0.013 0.000 1.348 594 D CA -1.712 52.280 54.000 -0.014 0.000 0.983 594 D CB 1.635 42.428 40.800 -0.011 0.000 1.416 594 D HN 0.202 nan 8.370 nan 0.000 0.558 595 P HA -0.119 nan 4.420 nan 0.000 0.221 595 P C 1.189 178.479 177.300 -0.016 0.000 1.145 595 P CA 0.994 64.087 63.100 -0.012 0.000 0.795 595 P CB 0.211 31.905 31.700 -0.009 0.000 0.775 596 S N -2.248 113.443 115.700 -0.016 0.000 2.607 596 S HA -0.007 4.465 4.470 0.003 0.000 0.224 596 S C 0.867 175.450 174.600 -0.029 0.000 0.969 596 S CA 0.271 58.459 58.200 -0.020 0.000 0.927 596 S CB -1.465 61.726 63.200 -0.015 0.000 0.772 596 S HN 0.224 nan 8.310 nan 0.000 0.533 597 T N -1.490 113.045 114.554 -0.033 0.000 2.943 597 T HA 0.537 4.889 4.350 0.003 0.000 0.284 597 T C -2.084 172.560 174.700 -0.092 0.000 1.015 597 T CA -1.905 60.165 62.100 -0.051 0.000 1.042 597 T CB 1.134 69.984 68.868 -0.029 0.000 1.055 597 T HN -0.153 nan 8.240 nan 0.000 0.500 598 P HA -0.140 nan 4.420 nan 0.000 0.216 598 P C 1.029 178.120 177.300 -0.348 0.000 1.153 598 P CA 1.261 64.170 63.100 -0.319 0.000 0.858 598 P CB -0.004 31.387 31.700 -0.514 0.000 0.789 599 H N -2.702 116.364 119.070 -0.007 0.000 2.529 599 H HA 0.328 4.886 4.556 0.003 0.000 0.277 599 H C 1.544 176.858 175.328 -0.023 0.000 1.004 599 H CA 0.886 56.931 56.048 -0.005 0.000 1.167 599 H CB -0.055 29.689 29.762 -0.030 0.000 1.445 599 H HN 0.180 nan 8.280 nan 0.000 0.554 600 G N 1.124 109.947 108.800 0.038 0.000 2.179 600 G HA2 -0.291 3.670 3.960 0.003 0.000 0.260 600 G HA3 -0.291 3.670 3.960 0.003 0.000 0.260 600 G C 0.375 175.271 174.900 -0.007 0.000 0.977 600 G CA 0.562 45.670 45.100 0.012 0.000 0.641 600 G HN 0.487 nan 8.290 nan 0.000 0.533 601 V N -3.288 116.625 119.914 -0.002 0.000 2.925 601 V HA 0.874 4.995 4.120 0.003 0.000 0.311 601 V C -0.241 175.845 176.094 -0.013 0.000 1.104 601 V CA -1.075 61.207 62.300 -0.030 0.000 0.954 601 V CB 1.991 33.765 31.823 -0.082 0.000 1.022 601 V HN 0.578 nan 8.190 nan 0.000 0.427 602 R N 3.549 124.040 120.500 -0.015 0.000 2.343 602 R HA 0.665 5.007 4.340 0.003 0.000 0.320 602 R C -1.115 175.185 176.300 0.000 0.000 0.956 602 R CA -0.769 55.329 56.100 -0.003 0.000 0.836 602 R CB 1.392 31.692 30.300 0.001 0.000 1.151 602 R HN 0.923 nan 8.270 nan 0.000 0.450 603 L N 5.926 127.151 121.223 0.003 0.000 2.416 603 L HA 0.114 4.456 4.340 0.003 0.000 0.272 603 L C 1.292 178.193 176.870 0.051 0.000 1.161 603 L CA -0.198 54.655 54.840 0.021 0.000 0.845 603 L CB 0.963 43.031 42.059 0.015 0.000 1.119 603 L HN 0.709 nan 8.230 nan 0.000 0.464 604 L N 3.959 125.238 121.223 0.094 0.000 2.418 604 L HA 0.154 4.496 4.340 0.003 0.000 0.218 604 L C 0.468 177.394 176.870 0.092 0.000 1.125 604 L CA 0.640 55.558 54.840 0.130 0.000 0.835 604 L CB 0.097 42.300 42.059 0.239 0.000 0.953 604 L HN 0.522 nan 8.230 nan 0.000 0.454 605 I N 0.334 120.913 120.570 0.015 0.000 2.405 605 I HA 0.024 4.196 4.170 0.003 0.000 0.280 605 I C 1.225 177.340 176.117 -0.003 0.000 1.027 605 I CA -0.192 61.044 61.300 -0.107 0.000 1.161 605 I CB 1.567 39.369 38.000 -0.331 0.000 1.300 605 I HN 0.140 nan 8.210 nan 0.000 0.463 606 E N 3.133 123.327 120.200 -0.010 0.000 2.110 606 E HA -0.223 4.128 4.350 0.003 0.000 0.193 606 E C 0.430 177.042 176.600 0.020 0.000 0.988 606 E CA 1.046 57.453 56.400 0.011 0.000 0.804 606 E CB 0.113 29.817 29.700 0.006 0.000 0.745 606 E HN 0.470 nan 8.360 nan 0.000 0.458 607 D N 0.189 120.592 120.400 0.006 0.000 2.781 607 D HA 0.005 4.647 4.640 0.003 0.000 0.254 607 D C -1.642 174.676 176.300 0.031 0.000 1.213 607 D CA -0.614 53.395 54.000 0.014 0.000 0.994 607 D CB -0.325 40.474 40.800 -0.002 0.000 1.019 607 D HN 0.145 nan 8.370 nan 0.000 0.514 608 Y N 2.601 122.833 120.300 -0.113 0.000 2.593 608 Y HA 0.379 4.930 4.550 0.002 0.000 0.331 608 Y C -1.936 173.876 175.900 -0.146 0.000 0.986 608 Y CA -3.021 54.994 58.100 -0.141 0.000 1.262 608 Y CB 1.225 39.604 38.460 -0.135 0.000 1.098 608 Y HN 0.131 nan 8.280 nan 0.000 0.506 609 P HA -0.279 nan 4.420 nan 0.000 0.214 609 P C 1.355 178.527 177.300 -0.214 0.000 1.163 609 P CA 1.881 64.869 63.100 -0.187 0.000 0.889 609 P CB -0.108 31.276 31.700 -0.527 0.000 0.790 610 Y N 0.691 120.800 120.300 -0.318 0.000 2.128 610 Y HA -0.212 4.340 4.550 0.003 0.000 0.284 610 Y C 2.330 178.135 175.900 -0.158 0.000 1.154 610 Y CA 1.785 59.825 58.100 -0.101 0.000 1.149 610 Y CB -1.198 37.283 38.460 0.034 0.000 0.976 610 Y HN -0.115 nan 8.280 nan 0.000 0.505 611 A N 0.682 123.011 122.820 -0.818 0.000 1.898 611 A HA -0.029 4.293 4.320 0.003 0.000 0.216 611 A C 2.447 179.711 177.584 -0.533 0.000 1.181 611 A CA 1.884 53.348 52.037 -0.955 0.000 0.620 611 A CB -1.510 16.709 19.000 -1.302 0.000 0.819 611 A HN 0.651 nan 8.150 nan 0.000 0.442 612 A N 0.084 122.712 122.820 -0.319 0.000 1.898 612 A HA -0.146 4.176 4.320 0.003 0.000 0.216 612 A C 1.744 179.262 177.584 -0.109 0.000 1.181 612 A CA 1.916 53.857 52.037 -0.159 0.000 0.620 612 A CB -0.552 18.417 19.000 -0.052 0.000 0.819 612 A HN 0.439 nan 8.150 nan 0.000 0.442 613 D N -0.344 120.029 120.400 -0.046 0.000 2.149 613 D HA -0.013 4.629 4.640 0.003 0.000 0.201 613 D C 2.078 178.388 176.300 0.017 0.000 0.972 613 D CA 1.317 55.350 54.000 0.055 0.000 0.835 613 D CB -0.718 40.214 40.800 0.220 0.000 0.966 613 D HN 0.407 nan 8.370 nan 0.000 0.476 614 G N 0.758 109.500 108.800 -0.096 0.000 2.440 614 G HA2 -0.214 3.747 3.960 0.003 0.000 0.218 614 G HA3 -0.214 3.747 3.960 0.003 0.000 0.218 614 G C 1.698 176.536 174.900 -0.104 0.000 1.154 614 G CA 0.311 45.404 45.100 -0.013 0.000 0.767 614 G HN 0.254 nan 8.290 nan 0.000 0.552 615 L N 0.179 121.208 121.223 -0.322 0.000 2.131 615 L HA -0.057 4.284 4.340 0.003 0.000 0.210 615 L C 2.946 179.574 176.870 -0.402 0.000 1.092 615 L CA 0.883 55.427 54.840 -0.493 0.000 0.759 615 L CB -0.227 41.391 42.059 -0.736 0.000 0.903 615 L HN 0.149 nan 8.230 nan 0.000 0.435 616 E N 0.132 120.216 120.200 -0.194 0.000 2.047 616 E HA -0.178 4.173 4.350 0.003 0.000 0.191 616 E C 2.286 178.947 176.600 0.102 0.000 0.987 616 E CA 1.121 57.522 56.400 0.002 0.000 0.799 616 E CB -0.141 29.594 29.700 0.057 0.000 0.752 616 E HN 0.371 nan 8.360 nan 0.000 0.449 617 I N 0.641 121.310 120.570 0.165 0.000 2.226 617 I HA -0.246 3.926 4.170 0.003 0.000 0.245 617 I C 2.426 178.742 176.117 0.332 0.000 1.100 617 I CA 0.910 62.374 61.300 0.274 0.000 1.374 617 I CB -1.279 36.943 38.000 0.370 0.000 1.057 617 I HN 0.323 nan 8.210 nan 0.000 0.413 618 W N 2.600 123.951 121.300 0.084 0.000 2.318 618 W HA -0.287 4.374 4.660 0.002 0.000 0.313 618 W C 2.504 179.004 176.519 -0.033 0.000 1.221 618 W CA 2.472 59.758 57.345 -0.099 0.000 1.266 618 W CB -0.199 28.934 29.460 -0.544 0.000 1.150 618 W HN 0.157 nan 8.180 nan 0.000 0.496 619 A N 0.966 123.849 122.820 0.104 0.000 1.902 619 A HA -0.073 4.248 4.320 0.003 0.000 0.217 619 A C 2.212 179.830 177.584 0.057 0.000 1.181 619 A CA 2.787 54.873 52.037 0.082 0.000 0.623 619 A CB -1.327 17.822 19.000 0.248 0.000 0.818 619 A HN 0.357 nan 8.150 nan 0.000 0.443 620 A N -0.028 122.878 122.820 0.142 0.000 1.902 620 A HA -0.074 4.248 4.320 0.003 0.000 0.217 620 A C 2.111 179.841 177.584 0.244 0.000 1.181 620 A CA 1.525 53.712 52.037 0.249 0.000 0.623 620 A CB -0.608 18.581 19.000 0.315 0.000 0.818 620 A HN 0.500 nan 8.150 nan 0.000 0.443 621 I N -0.595 120.066 120.570 0.152 0.000 2.226 621 I HA -0.259 3.912 4.170 0.003 0.000 0.245 621 I C 2.524 178.520 176.117 -0.201 0.000 1.100 621 I CA 1.789 63.057 61.300 -0.053 0.000 1.374 621 I CB -0.258 37.720 38.000 -0.036 0.000 1.057 621 I HN 0.362 nan 8.210 nan 0.000 0.413 622 K N 0.712 120.923 120.400 -0.315 0.000 2.032 622 K HA -0.196 4.125 4.320 0.003 0.000 0.209 622 K C 2.108 178.618 176.600 -0.151 0.000 1.048 622 K CA 2.112 58.198 56.287 -0.336 0.000 0.927 622 K CB -0.139 32.121 32.500 -0.400 0.000 0.712 622 K HN 0.215 nan 8.250 nan 0.000 0.441 623 T N 0.799 115.326 114.554 -0.045 0.000 2.720 623 T HA -0.211 4.140 4.350 0.003 0.000 0.268 623 T C 1.203 175.950 174.700 0.078 0.000 1.037 623 T CA 1.508 63.629 62.100 0.036 0.000 1.144 623 T CB -0.377 68.552 68.868 0.101 0.000 0.864 623 T HN 0.542 nan 8.240 nan 0.000 0.444 624 W N 1.595 122.786 121.300 -0.182 0.000 2.355 624 W HA -0.168 4.494 4.660 0.002 0.000 0.309 624 W C 1.732 178.167 176.519 -0.141 0.000 1.206 624 W CA 0.599 57.796 57.345 -0.246 0.000 1.284 624 W CB -0.462 28.501 29.460 -0.828 0.000 1.145 624 W HN 0.040 nan 8.180 nan 0.000 0.502 625 V N 1.787 121.430 119.914 -0.451 0.000 2.343 625 V HA -0.334 3.788 4.120 0.003 0.000 0.247 625 V C 2.461 178.407 176.094 -0.247 0.000 1.051 625 V CA 2.318 64.314 62.300 -0.507 0.000 1.036 625 V CB -1.131 30.467 31.823 -0.375 0.000 0.654 625 V HN 0.257 nan 8.190 nan 0.000 0.451 626 Q N -0.542 119.167 119.800 -0.152 0.000 2.226 626 Q HA -0.247 4.094 4.340 0.003 0.000 0.204 626 Q C 2.275 178.255 176.000 -0.035 0.000 0.975 626 Q CA 1.711 57.468 55.803 -0.076 0.000 0.866 626 Q CB -0.050 28.657 28.738 -0.052 0.000 0.915 626 Q HN 0.745 nan 8.270 nan 0.000 0.440 627 E N -0.604 119.590 120.200 -0.010 0.000 2.190 627 E HA -0.144 4.208 4.350 0.003 0.000 0.191 627 E C 1.488 178.108 176.600 0.034 0.000 0.978 627 E CA 0.189 56.617 56.400 0.047 0.000 0.839 627 E CB 0.079 29.868 29.700 0.149 0.000 0.787 627 E HN 0.338 nan 8.360 nan 0.000 0.473 628 Y N 0.613 120.784 120.300 -0.216 0.000 2.153 628 Y HA -0.174 4.378 4.550 0.002 0.000 0.289 628 Y C 2.074 177.957 175.900 -0.029 0.000 1.127 628 Y CA 1.468 59.436 58.100 -0.220 0.000 1.131 628 Y CB -0.345 37.707 38.460 -0.679 0.000 0.995 628 Y HN -0.131 nan 8.280 nan 0.000 0.505 629 V N 1.365 121.325 119.914 0.076 0.000 2.278 629 V HA -0.299 3.822 4.120 0.003 0.000 0.251 629 V C -0.521 175.634 176.094 0.102 0.000 1.062 629 V CA 2.626 65.000 62.300 0.124 0.000 1.038 629 V CB -1.868 29.983 31.823 0.045 0.000 0.646 629 V HN 0.320 nan 8.190 nan 0.000 0.447 630 P HA -0.108 nan 4.420 nan 0.000 0.221 630 P C 1.714 178.928 177.300 -0.143 0.000 1.145 630 P CA 1.172 64.255 63.100 -0.029 0.000 0.795 630 P CB -0.093 31.585 31.700 -0.036 0.000 0.775 631 L N -3.247 117.803 121.223 -0.289 0.000 2.275 631 L HA -0.120 4.222 4.340 0.003 0.000 0.215 631 L C 1.461 177.781 176.870 -0.916 0.000 1.119 631 L CA 1.418 55.892 54.840 -0.610 0.000 0.790 631 L CB -0.535 41.032 42.059 -0.819 0.000 0.919 631 L HN 0.078 nan 8.230 nan 0.000 0.443 632 Y N -3.058 117.087 120.300 -0.257 0.000 2.423 632 Y HA 0.202 4.754 4.550 0.003 0.000 0.257 632 Y C -0.288 175.267 175.900 -0.574 0.000 1.087 632 Y CA -0.746 57.108 58.100 -0.409 0.000 1.258 632 Y CB 0.516 38.682 38.460 -0.490 0.000 1.237 632 Y HN -0.099 nan 8.280 nan 0.000 0.517 633 Y N -0.868 119.421 120.300 -0.018 0.000 2.329 633 Y HA 0.599 5.151 4.550 0.003 0.000 0.328 633 Y C 0.656 176.533 175.900 -0.038 0.000 0.992 633 Y CA -1.111 56.983 58.100 -0.010 0.000 1.151 633 Y CB 1.574 40.042 38.460 0.014 0.000 1.150 633 Y HN -0.041 nan 8.280 nan 0.000 0.450 634 A N 3.856 126.715 122.820 0.064 0.000 1.935 634 A HA 0.219 4.541 4.320 0.003 0.000 0.214 634 A C 0.872 178.482 177.584 0.044 0.000 1.178 634 A CA 0.816 52.868 52.037 0.024 0.000 0.640 634 A CB 0.179 19.172 19.000 -0.011 0.000 0.825 634 A HN 0.715 nan 8.150 nan 0.000 0.447 635 R N -1.517 119.025 120.500 0.069 0.000 2.855 635 R HA 0.321 4.663 4.340 0.003 0.000 0.266 635 R C -0.698 175.645 176.300 0.071 0.000 1.034 635 R CA -0.622 55.511 56.100 0.055 0.000 0.944 635 R CB 0.572 30.894 30.300 0.038 0.000 1.219 635 R HN -0.005 nan 8.270 nan 0.000 0.474 636 D N 1.120 121.547 120.400 0.045 0.000 2.182 636 D HA -0.154 4.487 4.640 0.003 0.000 0.201 636 D C 0.679 177.012 176.300 0.055 0.000 0.986 636 D CA 1.772 55.794 54.000 0.037 0.000 0.847 636 D CB -0.027 40.787 40.800 0.023 0.000 0.942 636 D HN 0.503 nan 8.370 nan 0.000 0.467 637 D N 0.744 121.180 120.400 0.059 0.000 2.178 637 D HA -0.114 4.527 4.640 0.003 0.000 0.201 637 D C 1.470 177.829 176.300 0.098 0.000 0.980 637 D CA 0.815 54.855 54.000 0.066 0.000 0.842 637 D CB -0.082 40.749 40.800 0.050 0.000 0.948 637 D HN 0.163 nan 8.370 nan 0.000 0.472 638 D N -0.086 120.392 120.400 0.130 0.000 2.219 638 D HA -0.076 4.566 4.640 0.003 0.000 0.205 638 D C 2.070 178.574 176.300 0.340 0.000 0.970 638 D CA 0.429 54.551 54.000 0.202 0.000 0.851 638 D CB 0.057 40.982 40.800 0.208 0.000 0.943 638 D HN 0.155 nan 8.370 nan 0.000 0.488 639 V N 0.957 121.010 119.914 0.233 0.000 2.407 639 V HA -0.146 3.975 4.120 0.003 0.000 0.245 639 V C 2.431 178.592 176.094 0.110 0.000 1.041 639 V CA 1.144 63.496 62.300 0.088 0.000 1.040 639 V CB -0.324 31.436 31.823 -0.105 0.000 0.671 639 V HN 0.119 nan 8.190 nan 0.000 0.455 640 K N 0.761 121.219 120.400 0.096 0.000 2.148 640 K HA -0.146 4.176 4.320 0.003 0.000 0.204 640 K C 1.396 178.067 176.600 0.119 0.000 1.050 640 K CA 1.889 58.233 56.287 0.094 0.000 0.942 640 K CB -0.203 32.339 32.500 0.071 0.000 0.724 640 K HN 0.563 nan 8.250 nan 0.000 0.446 641 N N 0.921 119.699 118.700 0.129 0.000 2.314 641 N HA -0.046 4.696 4.740 0.003 0.000 0.200 641 N C -0.739 174.861 175.510 0.151 0.000 1.135 641 N CA -0.238 52.886 53.050 0.123 0.000 0.835 641 N CB 0.332 38.875 38.487 0.093 0.000 0.989 641 N HN 0.141 nan 8.380 nan 0.000 0.478 642 D N 0.501 121.026 120.400 0.208 0.000 2.365 642 D HA 0.054 4.696 4.640 0.003 0.000 0.237 642 D C 0.803 177.247 176.300 0.239 0.000 1.190 642 D CA 0.088 54.238 54.000 0.250 0.000 0.867 642 D CB 1.235 42.273 40.800 0.397 0.000 1.050 642 D HN -0.067 nan 8.370 nan 0.000 0.491 643 S N 3.503 119.315 115.700 0.188 0.000 2.382 643 S HA -0.157 4.315 4.470 0.003 0.000 0.228 643 S C 1.491 176.214 174.600 0.205 0.000 1.027 643 S CA 1.216 59.526 58.200 0.183 0.000 0.991 643 S CB 0.081 63.316 63.200 0.057 0.000 0.823 643 S HN 0.570 nan 8.310 nan 0.000 0.469 644 E N 0.030 120.345 120.200 0.192 0.000 2.047 644 E HA -0.103 4.248 4.350 0.003 0.000 0.191 644 E C 2.045 178.808 176.600 0.273 0.000 0.987 644 E CA 1.147 57.672 56.400 0.207 0.000 0.799 644 E CB -0.239 29.578 29.700 0.194 0.000 0.752 644 E HN 0.347 nan 8.360 nan 0.000 0.449 645 L N 1.292 122.683 121.223 0.280 0.000 2.042 645 L HA -0.231 4.110 4.340 0.003 0.000 0.210 645 L C 2.182 179.325 176.870 0.455 0.000 1.076 645 L CA 1.706 56.740 54.840 0.323 0.000 0.749 645 L CB -0.275 41.959 42.059 0.293 0.000 0.893 645 L HN 0.072 nan 8.230 nan 0.000 0.432 646 Q N -1.218 118.795 119.800 0.356 0.000 2.119 646 Q HA -0.201 4.141 4.340 0.003 0.000 0.201 646 Q C 2.250 178.378 176.000 0.214 0.000 0.972 646 Q CA 1.647 57.624 55.803 0.290 0.000 0.847 646 Q CB -0.484 28.392 28.738 0.230 0.000 0.903 646 Q HN 0.619 nan 8.270 nan 0.000 0.433 647 H N -1.092 118.028 119.070 0.082 0.000 2.389 647 H HA -0.117 4.441 4.556 0.003 0.000 0.299 647 H C 1.479 176.661 175.328 -0.243 0.000 1.081 647 H CA 1.340 57.300 56.048 -0.146 0.000 1.345 647 H CB -0.386 29.255 29.762 -0.202 0.000 1.393 647 H HN 0.366 nan 8.280 nan 0.000 0.520 648 W N 0.469 121.765 121.300 -0.007 0.000 2.332 648 W HA -0.240 4.421 4.660 0.002 0.000 0.321 648 W C 2.360 178.970 176.519 0.152 0.000 1.219 648 W CA 1.537 58.951 57.345 0.115 0.000 1.277 648 W CB -0.864 28.718 29.460 0.204 0.000 1.161 648 W HN 0.314 nan 8.180 nan 0.000 0.476 649 W N 1.872 123.064 121.300 -0.181 0.000 2.355 649 W HA -0.242 4.419 4.660 0.003 0.000 0.309 649 W C 2.348 178.625 176.519 -0.403 0.000 1.206 649 W CA 1.953 58.996 57.345 -0.504 0.000 1.284 649 W CB -0.562 28.764 29.460 -0.224 0.000 1.145 649 W HN -0.045 nan 8.180 nan 0.000 0.502 650 K N 0.714 120.964 120.400 -0.250 0.000 2.103 650 K HA -0.281 4.041 4.320 0.003 0.000 0.207 650 K C 2.012 178.330 176.600 -0.470 0.000 1.048 650 K CA 2.012 58.070 56.287 -0.381 0.000 0.930 650 K CB -0.440 31.892 32.500 -0.280 0.000 0.716 650 K HN 0.158 nan 8.250 nan 0.000 0.444 651 E N -0.511 119.452 120.200 -0.394 0.000 2.112 651 E HA -0.108 4.243 4.350 0.003 0.000 0.190 651 E C 1.788 178.109 176.600 -0.464 0.000 0.979 651 E CA 0.695 56.895 56.400 -0.333 0.000 0.814 651 E CB -0.036 29.606 29.700 -0.098 0.000 0.762 651 E HN 0.420 nan 8.360 nan 0.000 0.460 652 A N 0.515 123.000 122.820 -0.559 0.000 1.908 652 A HA -0.150 4.172 4.320 0.003 0.000 0.218 652 A C 2.320 179.388 177.584 -0.861 0.000 1.181 652 A CA 1.519 53.158 52.037 -0.663 0.000 0.627 652 A CB -0.552 18.008 19.000 -0.733 0.000 0.818 652 A HN 0.209 nan 8.150 nan 0.000 0.445 653 V N -0.220 119.007 119.914 -1.146 0.000 2.302 653 V HA -0.180 3.942 4.120 0.003 0.000 0.243 653 V C 2.302 177.900 176.094 -0.826 0.000 1.036 653 V CA 2.004 63.507 62.300 -1.328 0.000 1.020 653 V CB -0.843 29.909 31.823 -1.785 0.000 0.657 653 V HN 0.617 nan 8.190 nan 0.000 0.453 654 E N -0.254 119.549 120.200 -0.662 0.000 2.274 654 E HA -0.130 4.221 4.350 0.003 0.000 0.194 654 E C 1.926 178.293 176.600 -0.390 0.000 0.996 654 E CA 0.697 56.828 56.400 -0.449 0.000 0.840 654 E CB 0.110 29.592 29.700 -0.364 0.000 0.772 654 E HN 0.419 nan 8.360 nan 0.000 0.491 655 K N -0.679 119.419 120.400 -0.505 0.000 2.309 655 K HA 0.121 4.442 4.320 0.003 0.000 0.210 655 K C 2.098 178.247 176.600 -0.752 0.000 1.114 655 K CA 0.823 56.749 56.287 -0.601 0.000 0.912 655 K CB -0.822 31.223 32.500 -0.759 0.000 1.198 655 K HN 0.108 nan 8.250 nan 0.000 0.471 656 G N 1.727 109.984 108.800 -0.905 0.000 2.446 656 G HA2 -0.217 3.745 3.960 0.003 0.000 0.217 656 G HA3 -0.217 3.745 3.960 0.003 0.000 0.217 656 G C 0.952 175.503 174.900 -0.582 0.000 1.168 656 G CA 0.921 45.596 45.100 -0.708 0.000 0.771 656 G HN 0.307 nan 8.290 nan 0.000 0.551 657 H N 0.315 119.159 119.070 -0.377 0.000 2.481 657 H HA 0.249 4.806 4.556 0.003 0.000 0.273 657 H C 2.142 177.443 175.328 -0.044 0.000 1.145 657 H CA 0.181 56.175 56.048 -0.089 0.000 0.964 657 H CB 0.374 30.217 29.762 0.136 0.000 1.722 657 H HN 0.329 nan 8.280 nan 0.000 0.573 658 G N 0.524 109.261 108.800 -0.105 0.000 2.485 658 G HA2 -0.251 3.711 3.960 0.003 0.000 0.221 658 G HA3 -0.251 3.711 3.960 0.003 0.000 0.221 658 G C 1.225 176.140 174.900 0.026 0.000 1.115 658 G CA 0.501 45.539 45.100 -0.102 0.000 0.751 658 G HN 0.331 nan 8.290 nan 0.000 0.567 659 D N 0.082 120.564 120.400 0.137 0.000 2.350 659 D HA 0.004 4.645 4.640 0.003 0.000 0.216 659 D C 1.875 178.296 176.300 0.201 0.000 0.968 659 D CA 0.497 54.609 54.000 0.186 0.000 0.894 659 D CB 0.146 41.117 40.800 0.284 0.000 0.909 659 D HN 0.349 nan 8.370 nan 0.000 0.520 660 L N 0.530 121.910 121.223 0.262 0.000 3.014 660 L HA 0.170 4.512 4.340 0.003 0.000 0.263 660 L C 1.877 178.910 176.870 0.270 0.000 1.207 660 L CA -0.173 54.831 54.840 0.274 0.000 1.017 660 L CB 0.305 42.625 42.059 0.436 0.000 1.360 660 L HN -0.071 nan 8.230 nan 0.000 0.560 661 K N -0.071 120.384 120.400 0.093 0.000 2.280 661 K HA -0.160 4.161 4.320 0.003 0.000 0.202 661 K C 1.091 177.659 176.600 -0.052 0.000 1.047 661 K CA 1.491 57.731 56.287 -0.078 0.000 0.942 661 K CB -0.145 32.247 32.500 -0.181 0.000 0.739 661 K HN 0.326 nan 8.250 nan 0.000 0.457 662 D N 0.923 121.309 120.400 -0.023 0.000 2.349 662 D HA -0.060 4.582 4.640 0.003 0.000 0.224 662 D C -0.192 176.051 176.300 -0.095 0.000 1.029 662 D CA 0.252 54.224 54.000 -0.046 0.000 0.879 662 D CB 0.071 40.858 40.800 -0.022 0.000 0.906 662 D HN -0.019 nan 8.370 nan 0.000 0.528 663 K N 2.043 122.329 120.400 -0.191 0.000 2.298 663 K HA 0.142 4.464 4.320 0.003 0.000 0.280 663 K C -1.361 174.931 176.600 -0.514 0.000 1.032 663 K CA -1.672 54.311 56.287 -0.506 0.000 0.958 663 K CB 1.214 33.006 32.500 -1.180 0.000 0.978 663 K HN 0.018 nan 8.250 nan 0.000 0.472 664 P HA -0.070 nan 4.420 nan 0.000 0.233 664 P C 0.723 177.973 177.300 -0.084 0.000 1.167 664 P CA 0.811 63.817 63.100 -0.156 0.000 0.770 664 P CB 0.043 31.718 31.700 -0.042 0.000 0.837 665 W N -1.946 119.353 121.300 -0.002 0.000 3.047 665 W HA 0.135 4.797 4.660 0.003 0.000 0.250 665 W C -0.262 176.281 176.519 0.041 0.000 1.314 665 W CA -1.034 56.288 57.345 -0.037 0.000 1.540 665 W CB -1.447 27.921 29.460 -0.153 0.000 1.127 665 W HN -0.200 nan 8.180 nan 0.000 0.679 666 W N 3.918 125.292 121.300 0.124 0.000 2.251 666 W HA 0.210 4.872 4.660 0.003 0.000 0.327 666 W C -1.759 174.955 176.519 0.325 0.000 1.361 666 W CA -1.480 56.035 57.345 0.283 0.000 1.234 666 W CB -0.155 29.310 29.460 0.008 0.000 1.212 666 W HN -0.385 nan 8.180 nan 0.000 0.557 667 P HA -0.043 nan 4.420 nan 0.000 0.269 667 P C 0.516 178.078 177.300 0.437 0.000 1.209 667 P CA 0.006 63.370 63.100 0.441 0.000 0.776 667 P CB 0.814 32.713 31.700 0.332 0.000 0.876 668 K N 1.661 122.205 120.400 0.240 0.000 2.361 668 K HA 0.095 4.417 4.320 0.003 0.000 0.196 668 K C 0.543 177.212 176.600 0.115 0.000 1.039 668 K CA -0.060 56.349 56.287 0.203 0.000 1.001 668 K CB -0.530 32.047 32.500 0.129 0.000 0.795 668 K HN 0.309 nan 8.250 nan 0.000 0.495 669 L N 1.773 122.978 121.223 -0.030 0.000 3.601 669 L HA -0.203 4.139 4.340 0.003 0.000 0.469 669 L C -0.040 176.815 176.870 -0.024 0.000 1.294 669 L CA 0.572 55.334 54.840 -0.130 0.000 0.829 669 L CB -0.750 41.133 42.059 -0.294 0.000 1.628 669 L HN 0.184 nan 8.230 nan 0.000 0.868 670 Q N -0.998 118.800 119.800 -0.003 0.000 2.164 670 Q HA 0.395 4.737 4.340 0.003 0.000 0.226 670 Q C 0.766 176.769 176.000 0.005 0.000 0.813 670 Q CA 0.881 56.695 55.803 0.018 0.000 0.978 670 Q CB 1.091 29.851 28.738 0.036 0.000 1.149 670 Q HN 0.765 nan 8.270 nan 0.000 0.489 671 T N -4.005 110.537 114.554 -0.021 0.000 2.883 671 T HA 0.547 4.899 4.350 0.003 0.000 0.296 671 T C 1.011 175.675 174.700 -0.059 0.000 1.117 671 T CA -0.705 61.382 62.100 -0.023 0.000 1.006 671 T CB 0.911 69.773 68.868 -0.009 0.000 1.191 671 T HN -0.066 nan 8.240 nan 0.000 0.508 672 L N 0.389 121.583 121.223 -0.048 0.000 2.083 672 L HA 0.003 4.345 4.340 0.003 0.000 0.209 672 L C 2.956 179.785 176.870 -0.069 0.000 1.083 672 L CA 1.707 56.507 54.840 -0.068 0.000 0.752 672 L CB -0.490 41.553 42.059 -0.025 0.000 0.899 672 L HN 0.902 nan 8.230 nan 0.000 0.433 673 E N 0.414 120.589 120.200 -0.042 0.000 2.058 673 E HA -0.274 4.077 4.350 0.003 0.000 0.194 673 E C 1.646 178.221 176.600 -0.043 0.000 0.997 673 E CA 1.807 58.186 56.400 -0.034 0.000 0.801 673 E CB 0.092 29.785 29.700 -0.013 0.000 0.746 673 E HN 0.400 nan 8.360 nan 0.000 0.450 674 D N 0.106 120.478 120.400 -0.048 0.000 2.144 674 D HA -0.145 4.497 4.640 0.003 0.000 0.199 674 D C 1.838 178.065 176.300 -0.123 0.000 0.984 674 D CA 0.526 54.488 54.000 -0.063 0.000 0.834 674 D CB -0.169 40.593 40.800 -0.063 0.000 0.955 674 D HN 0.161 nan 8.370 nan 0.000 0.465 675 L N 0.196 121.332 121.223 -0.146 0.000 2.056 675 L HA -0.104 4.238 4.340 0.003 0.000 0.207 675 L C 2.096 178.889 176.870 -0.128 0.000 1.078 675 L CA 1.324 56.060 54.840 -0.173 0.000 0.749 675 L CB -0.534 41.378 42.059 -0.244 0.000 0.901 675 L HN -0.090 nan 8.230 nan 0.000 0.433 676 V N 0.023 119.870 119.914 -0.113 0.000 2.295 676 V HA -0.312 3.810 4.120 0.003 0.000 0.246 676 V C 2.598 178.633 176.094 -0.099 0.000 1.049 676 V CA 2.021 64.255 62.300 -0.111 0.000 1.024 676 V CB -0.689 31.075 31.823 -0.098 0.000 0.648 676 V HN 0.631 nan 8.190 nan 0.000 0.447 677 E N 0.116 120.279 120.200 -0.061 0.000 2.038 677 E HA -0.223 4.128 4.350 0.003 0.000 0.195 677 E C 2.237 178.855 176.600 0.029 0.000 1.000 677 E CA 2.085 58.477 56.400 -0.014 0.000 0.803 677 E CB -0.126 29.591 29.700 0.029 0.000 0.750 677 E HN 0.374 nan 8.360 nan 0.000 0.448 678 V N 0.709 120.644 119.914 0.036 0.000 2.287 678 V HA -0.353 3.769 4.120 0.003 0.000 0.248 678 V C 2.623 178.808 176.094 0.152 0.000 1.053 678 V CA 1.855 64.236 62.300 0.134 0.000 1.027 678 V CB -0.506 31.155 31.823 -0.271 0.000 0.646 678 V HN 0.565 nan 8.190 nan 0.000 0.447 679 C N -0.634 118.692 119.300 0.044 0.000 2.429 679 C HA -0.108 4.353 4.460 0.003 0.000 0.277 679 C C 2.637 177.599 174.990 -0.047 0.000 1.262 679 C CA 0.990 60.017 59.018 0.015 0.000 1.733 679 C CB -1.055 26.639 27.740 -0.077 0.000 2.010 679 C HN 0.632 nan 8.230 nan 0.000 0.483 680 L N 1.167 122.319 121.223 -0.118 0.000 2.012 680 L HA -0.094 4.248 4.340 0.003 0.000 0.210 680 L C 2.190 178.996 176.870 -0.107 0.000 1.073 680 L CA 1.947 56.644 54.840 -0.239 0.000 0.748 680 L CB -0.716 41.096 42.059 -0.411 0.000 0.891 680 L HN 0.332 nan 8.230 nan 0.000 0.431 681 I N -0.888 119.692 120.570 0.016 0.000 2.226 681 I HA -0.311 3.861 4.170 0.003 0.000 0.245 681 I C 2.451 178.688 176.117 0.200 0.000 1.100 681 I CA 1.500 62.874 61.300 0.125 0.000 1.374 681 I CB -0.269 37.604 38.000 -0.211 0.000 1.057 681 I HN 0.260 nan 8.210 nan 0.000 0.413 682 I N 0.752 121.436 120.570 0.190 0.000 2.179 682 I HA -0.309 3.862 4.170 0.003 0.000 0.242 682 I C 2.454 178.664 176.117 0.154 0.000 1.088 682 I CA 1.696 63.122 61.300 0.210 0.000 1.357 682 I CB -0.207 37.916 38.000 0.205 0.000 1.051 682 I HN 0.145 nan 8.210 nan 0.000 0.409 683 I N -0.251 120.329 120.570 0.017 0.000 2.286 683 I HA -0.324 3.848 4.170 0.003 0.000 0.248 683 I C 2.446 178.567 176.117 0.007 0.000 1.115 683 I CA 1.341 62.526 61.300 -0.191 0.000 1.392 683 I CB -0.480 37.292 38.000 -0.380 0.000 1.065 683 I HN 0.538 nan 8.210 nan 0.000 0.418 684 W N 2.238 123.539 121.300 0.000 0.000 2.355 684 W HA -0.215 4.447 4.660 0.003 0.000 0.309 684 W C 2.258 178.891 176.519 0.190 0.000 1.206 684 W CA 1.567 58.997 57.345 0.142 0.000 1.284 684 W CB -0.291 29.358 29.460 0.316 0.000 1.145 684 W HN 0.052 nan 8.180 nan 0.000 0.502 685 I N 1.534 122.180 120.570 0.127 0.000 2.208 685 I HA -0.306 3.865 4.170 0.003 0.000 0.245 685 I C 2.756 178.897 176.117 0.040 0.000 1.097 685 I CA 1.822 63.160 61.300 0.063 0.000 1.363 685 I CB -0.961 37.199 38.000 0.267 0.000 1.051 685 I HN -0.019 nan 8.210 nan 0.000 0.413 686 A N 0.145 123.025 122.820 0.101 0.000 1.968 686 A HA -0.134 4.187 4.320 0.003 0.000 0.217 686 A C 2.332 179.983 177.584 0.113 0.000 1.169 686 A CA 1.888 53.996 52.037 0.119 0.000 0.638 686 A CB -0.426 18.704 19.000 0.215 0.000 0.812 686 A HN 0.540 nan 8.150 nan 0.000 0.446 687 S N -0.815 114.927 115.700 0.070 0.000 2.696 687 S HA 0.444 4.916 4.470 0.003 0.000 0.172 687 S C 2.171 176.781 174.600 0.015 0.000 0.767 687 S CA 0.736 59.002 58.200 0.110 0.000 0.856 687 S CB -0.915 62.379 63.200 0.155 0.000 0.782 687 S HN 0.779 nan 8.310 nan 0.000 0.582 688 A N 1.379 124.094 122.820 -0.173 0.000 1.902 688 A HA 0.092 4.414 4.320 0.003 0.000 0.217 688 A C 2.295 179.598 177.584 -0.468 0.000 1.181 688 A CA 1.664 53.507 52.037 -0.322 0.000 0.623 688 A CB -1.104 17.633 19.000 -0.439 0.000 0.818 688 A HN 0.552 nan 8.150 nan 0.000 0.443 689 L N -0.626 120.100 121.223 -0.828 0.000 1.994 689 L HA -0.192 4.149 4.340 0.003 0.000 0.208 689 L C 2.451 179.252 176.870 -0.115 0.000 1.071 689 L CA 2.758 57.330 54.840 -0.447 0.000 0.745 689 L CB -0.869 40.929 42.059 -0.435 0.000 0.892 689 L HN 0.648 nan 8.230 nan 0.000 0.431 690 H N -0.442 118.549 119.070 -0.131 0.000 2.352 690 H HA -0.149 4.408 4.556 0.003 0.000 0.299 690 H C 1.868 177.179 175.328 -0.028 0.000 1.097 690 H CA 1.585 57.596 56.048 -0.060 0.000 1.311 690 H CB 0.224 29.970 29.762 -0.027 0.000 1.377 690 H HN 0.492 nan 8.280 nan 0.000 0.504 691 A N 1.251 124.086 122.820 0.024 0.000 1.902 691 A HA -0.075 4.246 4.320 0.003 0.000 0.217 691 A C 2.729 180.352 177.584 0.066 0.000 1.181 691 A CA 1.770 53.930 52.037 0.204 0.000 0.623 691 A CB -1.087 18.106 19.000 0.321 0.000 0.818 691 A HN 0.580 nan 8.150 nan 0.000 0.443 692 A N -0.228 122.611 122.820 0.032 0.000 1.972 692 A HA 0.010 4.331 4.320 0.003 0.000 0.219 692 A C 2.110 179.682 177.584 -0.020 0.000 1.169 692 A CA 2.064 54.141 52.037 0.068 0.000 0.635 692 A CB -0.919 18.225 19.000 0.240 0.000 0.810 692 A HN 1.200 nan 8.150 nan 0.000 0.446 693 V N -2.826 117.021 119.914 -0.112 0.000 3.650 693 V HA 0.152 4.274 4.120 0.003 0.000 0.271 693 V C 1.327 177.303 176.094 -0.197 0.000 1.281 693 V CA 1.629 63.887 62.300 -0.069 0.000 1.120 693 V CB -0.654 31.153 31.823 -0.025 0.000 0.856 693 V HN 0.495 nan 8.190 nan 0.000 0.443 694 N N 0.230 118.635 118.700 -0.491 0.000 2.571 694 N HA 0.200 4.942 4.740 0.003 0.000 0.195 694 N C 1.124 176.306 175.510 -0.546 0.000 1.040 694 N CA 0.587 53.194 53.050 -0.737 0.000 0.890 694 N CB -0.053 37.629 38.487 -1.342 0.000 1.233 694 N HN 0.348 nan 8.380 nan 0.000 0.435 695 F N 0.167 120.045 119.950 -0.121 0.000 2.771 695 F HA 0.319 4.847 4.527 0.002 0.000 0.299 695 F C 1.958 177.799 175.800 0.068 0.000 1.177 695 F CA 0.509 58.473 58.000 -0.060 0.000 1.450 695 F CB -0.134 38.796 39.000 -0.118 0.000 1.114 695 F HN 0.162 nan 8.300 nan 0.000 0.587 696 G N -1.084 107.839 108.800 0.204 0.000 3.126 696 G HA2 -0.073 3.889 3.960 0.003 0.000 0.224 696 G HA3 -0.073 3.889 3.960 0.003 0.000 0.224 696 G C 1.534 176.622 174.900 0.314 0.000 1.142 696 G CA -0.091 45.263 45.100 0.423 0.000 0.759 696 G HN 0.103 nan 8.290 nan 0.000 0.550 697 N N 0.540 119.356 118.700 0.193 0.000 2.018 697 N HA -0.190 4.552 4.740 0.003 0.000 0.196 697 N C 1.655 177.279 175.510 0.190 0.000 1.043 697 N CA 1.300 54.462 53.050 0.187 0.000 0.856 697 N CB -0.282 38.319 38.487 0.189 0.000 1.042 697 N HN 0.444 nan 8.380 nan 0.000 0.423 698 Y N 1.493 121.855 120.300 0.105 0.000 2.286 698 Y HA 0.045 4.597 4.550 0.003 0.000 0.293 698 Y C -0.886 175.029 175.900 0.026 0.000 1.124 698 Y CA 0.739 58.883 58.100 0.073 0.000 1.178 698 Y CB -0.847 37.666 38.460 0.087 0.000 1.010 698 Y HN 0.130 nan 8.280 nan 0.000 0.536 699 P HA -0.202 nan 4.420 nan 0.000 0.216 699 P C 0.707 177.796 177.300 -0.352 0.000 1.150 699 P CA 2.045 65.054 63.100 -0.153 0.000 0.843 699 P CB -0.127 31.307 31.700 -0.442 0.000 0.787 700 Y N -1.988 118.248 120.300 -0.105 0.000 2.441 700 Y HA 0.268 4.819 4.550 0.002 0.000 0.288 700 Y C 2.544 178.334 175.900 -0.184 0.000 1.118 700 Y CA 1.134 59.163 58.100 -0.119 0.000 1.215 700 Y CB -0.992 37.448 38.460 -0.034 0.000 1.118 700 Y HN -0.121 nan 8.280 nan 0.000 0.547 701 G N -0.983 107.804 108.800 -0.022 0.000 3.042 701 G HA2 0.047 4.009 3.960 0.003 0.000 0.212 701 G HA3 0.047 4.009 3.960 0.003 0.000 0.212 701 G C 1.804 176.515 174.900 -0.315 0.000 1.166 701 G CA 0.539 45.565 45.100 -0.123 0.000 0.767 701 G HN 0.458 nan 8.290 nan 0.000 0.546 702 G N 0.191 108.640 108.800 -0.585 0.000 2.535 702 G HA2 0.056 4.017 3.960 0.003 0.000 0.218 702 G HA3 0.056 4.017 3.960 0.003 0.000 0.218 702 G C 0.504 175.052 174.900 -0.585 0.000 1.122 702 G CA 0.166 44.659 45.100 -1.011 0.000 0.769 702 G HN 0.391 nan 8.290 nan 0.000 0.549 703 L N 0.714 121.665 121.223 -0.454 0.000 2.277 703 L HA 0.508 4.850 4.340 0.003 0.000 0.284 703 L C 1.165 177.750 176.870 -0.474 0.000 1.028 703 L CA -0.787 53.792 54.840 -0.436 0.000 0.835 703 L CB 1.268 43.046 42.059 -0.470 0.000 1.215 703 L HN -0.034 nan 8.230 nan 0.000 0.425 704 I N 4.322 124.627 120.570 -0.441 0.000 2.423 704 I HA -0.242 3.930 4.170 0.003 0.000 0.254 704 I C 1.766 177.631 176.117 -0.420 0.000 1.151 704 I CA 1.722 62.801 61.300 -0.369 0.000 1.421 704 I CB 0.037 37.868 38.000 -0.281 0.000 1.079 704 I HN 0.818 nan 8.210 nan 0.000 0.431 705 M N -0.329 118.879 119.600 -0.652 0.000 2.296 705 M HA -0.133 4.349 4.480 0.003 0.000 0.265 705 M C 1.926 177.744 176.300 -0.802 0.000 1.064 705 M CA 1.395 56.239 55.300 -0.760 0.000 1.109 705 M CB -0.697 30.970 32.600 -1.556 0.000 1.396 705 M HN 0.244 nan 8.290 nan 0.000 0.430 706 N N 0.278 118.500 118.700 -0.796 0.000 2.333 706 N HA -0.017 4.725 4.740 0.003 0.000 0.178 706 N C -0.065 175.362 175.510 -0.139 0.000 1.018 706 N CA 0.825 53.648 53.050 -0.379 0.000 0.882 706 N CB 0.461 38.780 38.487 -0.280 0.000 0.984 706 N HN -0.014 nan 8.380 nan 0.000 0.434 707 R N 0.644 121.033 120.500 -0.185 0.000 2.644 707 R HA 0.333 4.674 4.340 0.003 0.000 0.271 707 R C -2.700 173.519 176.300 -0.135 0.000 1.687 707 R CA -1.710 54.329 56.100 -0.101 0.000 1.655 707 R CB 0.944 31.204 30.300 -0.066 0.000 1.285 707 R HN 0.263 nan 8.270 nan 0.000 0.643 708 P HA 0.017 nan 4.420 nan 0.000 0.268 708 P C 0.787 177.970 177.300 -0.196 0.000 1.205 708 P CA 0.233 63.218 63.100 -0.192 0.000 0.771 708 P CB 0.879 32.452 31.700 -0.211 0.000 0.858 709 T N -0.612 113.752 114.554 -0.316 0.000 3.044 709 T HA 0.463 4.815 4.350 0.003 0.000 0.250 709 T C 0.570 175.067 174.700 -0.339 0.000 1.081 709 T CA 0.116 61.893 62.100 -0.538 0.000 1.040 709 T CB 0.081 68.244 68.868 -1.176 0.000 0.962 709 T HN 0.623 nan 8.240 nan 0.000 0.506 710 A N 0.933 123.620 122.820 -0.221 0.000 2.604 710 A HA 0.713 5.034 4.320 0.003 0.000 0.295 710 A C -0.747 176.769 177.584 -0.114 0.000 1.067 710 A CA -0.781 51.183 52.037 -0.122 0.000 0.683 710 A CB 1.308 20.233 19.000 -0.126 0.000 1.281 710 A HN 0.584 nan 8.150 nan 0.000 0.407 711 S N 0.146 115.816 115.700 -0.049 0.000 2.526 711 S HA 0.722 5.194 4.470 0.003 0.000 0.293 711 S C -0.041 174.563 174.600 0.007 0.000 1.092 711 S CA -0.868 57.307 58.200 -0.042 0.000 0.980 711 S CB 1.930 65.162 63.200 0.054 0.000 1.048 711 S HN 0.717 nan 8.310 nan 0.000 0.483 712 R N 0.387 120.886 120.500 -0.002 0.000 2.446 712 R HA 0.280 4.622 4.340 0.003 0.000 0.254 712 R C 0.267 176.585 176.300 0.029 0.000 0.918 712 R CA -0.081 56.022 56.100 0.005 0.000 1.069 712 R CB 0.457 30.744 30.300 -0.022 0.000 1.194 712 R HN 0.824 nan 8.270 nan 0.000 0.534 713 R N -0.295 120.249 120.500 0.073 0.000 2.692 713 R HA 0.379 4.720 4.340 0.003 0.000 0.269 713 R C -1.095 175.305 176.300 0.167 0.000 1.030 713 R CA -0.837 55.313 56.100 0.084 0.000 0.882 713 R CB 1.005 31.350 30.300 0.076 0.000 1.250 713 R HN -0.158 nan 8.270 nan 0.000 0.465 714 L N 1.135 122.398 121.223 0.067 0.000 2.567 714 L HA 0.438 4.780 4.340 0.003 0.000 0.238 714 L C 0.448 177.456 176.870 0.230 0.000 1.168 714 L CA -1.323 53.526 54.840 0.014 0.000 0.817 714 L CB 0.399 42.352 42.059 -0.177 0.000 1.409 714 L HN 0.419 nan 8.230 nan 0.000 0.502 715 L N 2.022 123.424 121.223 0.299 0.000 2.453 715 L HA 0.144 4.485 4.340 0.003 0.000 0.272 715 L C -1.805 175.195 176.870 0.217 0.000 1.182 715 L CA -1.457 53.553 54.840 0.284 0.000 0.858 715 L CB 0.062 42.273 42.059 0.254 0.000 1.120 715 L HN 0.394 nan 8.230 nan 0.000 0.474 716 P HA 0.121 nan 4.420 nan 0.000 0.274 716 P C -0.914 176.558 177.300 0.287 0.000 1.231 716 P CA -0.503 62.729 63.100 0.220 0.000 0.790 716 P CB 0.907 32.734 31.700 0.212 0.000 0.951 717 E N 1.559 121.885 120.200 0.210 0.000 2.313 717 E HA 0.177 4.529 4.350 0.003 0.000 0.272 717 E C 0.189 176.828 176.600 0.066 0.000 1.038 717 E CA -0.518 55.964 56.400 0.136 0.000 0.863 717 E CB 1.064 30.808 29.700 0.073 0.000 1.060 717 E HN 0.350 nan 8.360 nan 0.000 0.402 718 K N -0.218 120.068 120.400 -0.190 0.000 2.336 718 K HA 0.160 4.482 4.320 0.003 0.000 0.262 718 K C 0.896 177.333 176.600 -0.271 0.000 0.992 718 K CA 0.816 56.714 56.287 -0.648 0.000 0.927 718 K CB 0.213 32.343 32.500 -0.617 0.000 0.956 718 K HN 0.791 nan 8.250 nan 0.000 0.495 719 G N 0.860 109.513 108.800 -0.244 0.000 2.143 719 G HA2 -0.268 3.694 3.960 0.003 0.000 0.248 719 G HA3 -0.268 3.694 3.960 0.003 0.000 0.248 719 G C 0.072 174.972 174.900 -0.001 0.000 0.991 719 G CA 0.676 45.727 45.100 -0.081 0.000 0.689 719 G HN 0.746 nan 8.290 nan 0.000 0.522 720 T N -3.452 111.134 114.554 0.053 0.000 2.924 720 T HA 0.780 5.131 4.350 0.003 0.000 0.291 720 T C -1.012 173.761 174.700 0.122 0.000 1.045 720 T CA -1.020 61.132 62.100 0.086 0.000 1.015 720 T CB 3.181 72.109 68.868 0.100 0.000 1.103 720 T HN -0.085 nan 8.240 nan 0.000 0.496 721 P HA -0.073 nan 4.420 nan 0.000 0.218 721 P C 0.930 178.294 177.300 0.107 0.000 1.149 721 P CA 1.161 64.315 63.100 0.090 0.000 0.817 721 P CB 0.221 31.960 31.700 0.064 0.000 0.785 722 E N -0.808 119.461 120.200 0.114 0.000 2.077 722 E HA -0.194 4.158 4.350 0.003 0.000 0.193 722 E C 2.124 178.801 176.600 0.129 0.000 0.989 722 E CA 1.090 57.555 56.400 0.110 0.000 0.800 722 E CB -1.256 28.511 29.700 0.112 0.000 0.746 722 E HN 0.323 nan 8.360 nan 0.000 0.452 723 Y N 1.503 121.839 120.300 0.060 0.000 2.200 723 Y HA -0.178 4.373 4.550 0.003 0.000 0.290 723 Y C 1.942 177.876 175.900 0.057 0.000 1.137 723 Y CA 1.438 59.576 58.100 0.063 0.000 1.163 723 Y CB 0.212 38.706 38.460 0.057 0.000 0.988 723 Y HN -0.048 nan 8.280 nan 0.000 0.518 724 E N 0.373 120.722 120.200 0.248 0.000 2.153 724 E HA -0.255 4.097 4.350 0.003 0.000 0.194 724 E C 2.038 178.683 176.600 0.074 0.000 0.988 724 E CA 1.378 57.875 56.400 0.162 0.000 0.811 724 E CB -0.305 29.472 29.700 0.129 0.000 0.746 724 E HN 0.695 nan 8.360 nan 0.000 0.466 725 E N 0.265 120.500 120.200 0.059 0.000 2.106 725 E HA -0.135 4.217 4.350 0.003 0.000 0.192 725 E C 2.056 178.665 176.600 0.015 0.000 0.984 725 E CA 0.739 57.161 56.400 0.037 0.000 0.806 725 E CB 0.007 29.733 29.700 0.044 0.000 0.750 725 E HN 0.196 nan 8.360 nan 0.000 0.458 726 M N 0.232 119.812 119.600 -0.033 0.000 2.202 726 M HA -0.166 4.315 4.480 0.003 0.000 0.262 726 M C 2.167 178.446 176.300 -0.035 0.000 1.063 726 M CA 1.230 56.496 55.300 -0.057 0.000 1.097 726 M CB -0.174 32.304 32.600 -0.202 0.000 1.382 726 M HN 0.238 nan 8.290 nan 0.000 0.413 727 I N 0.076 120.619 120.570 -0.044 0.000 2.277 727 I HA -0.245 3.927 4.170 0.003 0.000 0.243 727 I C 1.836 177.971 176.117 0.030 0.000 1.094 727 I CA 0.984 62.282 61.300 -0.003 0.000 1.393 727 I CB -0.472 37.549 38.000 0.034 0.000 1.078 727 I HN 0.333 nan 8.210 nan 0.000 0.417 728 N N 0.401 119.122 118.700 0.036 0.000 2.415 728 N HA -0.039 4.703 4.740 0.003 0.000 0.176 728 N C 0.406 175.937 175.510 0.035 0.000 1.042 728 N CA 0.630 53.702 53.050 0.037 0.000 0.902 728 N CB -0.026 38.480 38.487 0.032 0.000 0.986 728 N HN 0.220 nan 8.380 nan 0.000 0.447 729 N N 0.593 119.312 118.700 0.031 0.000 2.732 729 N HA -0.012 4.730 4.740 0.003 0.000 0.235 729 N C 0.692 176.179 175.510 -0.039 0.000 1.466 729 N CA -0.185 52.853 53.050 -0.019 0.000 0.751 729 N CB -0.007 38.468 38.487 -0.021 0.000 1.317 729 N HN 0.210 nan 8.380 nan 0.000 0.525 730 H N 0.315 119.339 119.070 -0.076 0.000 2.421 730 H HA 0.031 4.589 4.556 0.003 0.000 0.298 730 H C 0.432 175.697 175.328 -0.105 0.000 1.087 730 H CA 1.200 57.207 56.048 -0.069 0.000 1.330 730 H CB 0.321 30.040 29.762 -0.071 0.000 1.388 730 H HN 0.442 nan 8.280 nan 0.000 0.526 731 E N 0.689 120.349 120.200 -0.900 0.000 2.106 731 E HA -0.136 4.216 4.350 0.003 0.000 0.192 731 E C 2.224 178.668 176.600 -0.261 0.000 0.984 731 E CA 1.000 56.844 56.400 -0.928 0.000 0.806 731 E CB 0.107 29.027 29.700 -1.299 0.000 0.750 731 E HN 0.260 nan 8.360 nan 0.000 0.458 732 K N 1.334 121.641 120.400 -0.156 0.000 2.103 732 K HA -0.039 4.282 4.320 0.003 0.000 0.204 732 K C 1.842 178.474 176.600 0.054 0.000 1.052 732 K CA 1.265 57.553 56.287 0.002 0.000 0.945 732 K CB -0.354 32.161 32.500 0.025 0.000 0.722 732 K HN 0.071 nan 8.250 nan 0.000 0.443 733 A N -0.311 122.538 122.820 0.050 0.000 1.908 733 A HA -0.190 4.131 4.320 0.003 0.000 0.218 733 A C 2.241 179.891 177.584 0.111 0.000 1.181 733 A CA 1.700 53.782 52.037 0.076 0.000 0.627 733 A CB -1.019 18.027 19.000 0.077 0.000 0.818 733 A HN 0.518 nan 8.150 nan 0.000 0.445 734 Y N 0.292 120.621 120.300 0.048 0.000 2.163 734 Y HA -0.127 4.425 4.550 0.003 0.000 0.288 734 Y C 2.031 177.981 175.900 0.082 0.000 1.136 734 Y CA 1.933 60.093 58.100 0.100 0.000 1.147 734 Y CB -0.227 38.405 38.460 0.286 0.000 0.987 734 Y HN 0.213 nan 8.280 nan 0.000 0.509 735 L N -0.288 121.106 121.223 0.285 0.000 2.131 735 L HA -0.201 4.141 4.340 0.003 0.000 0.210 735 L C 2.396 179.292 176.870 0.044 0.000 1.092 735 L CA 1.279 56.226 54.840 0.178 0.000 0.759 735 L CB -0.432 41.763 42.059 0.227 0.000 0.903 735 L HN 0.138 nan 8.230 nan 0.000 0.435 736 R N -0.993 119.524 120.500 0.028 0.000 2.189 736 R HA -0.057 4.284 4.340 0.003 0.000 0.218 736 R C 2.130 178.406 176.300 -0.040 0.000 1.074 736 R CA 1.341 57.441 56.100 0.000 0.000 0.991 736 R CB -0.251 30.063 30.300 0.023 0.000 0.883 736 R HN 0.313 nan 8.270 nan 0.000 0.457 737 T N 1.474 115.970 114.554 -0.096 0.000 2.894 737 T HA 0.057 4.409 4.350 0.003 0.000 0.258 737 T C 1.244 175.807 174.700 -0.227 0.000 1.043 737 T CA 0.681 62.683 62.100 -0.164 0.000 1.141 737 T CB -0.040 68.662 68.868 -0.277 0.000 0.873 737 T HN 0.221 nan 8.240 nan 0.000 0.449 738 I N 0.073 120.468 120.570 -0.292 0.000 3.468 738 I HA 0.369 4.541 4.170 0.003 0.000 0.299 738 I C 0.025 176.048 176.117 -0.157 0.000 1.141 738 I CA -1.088 60.050 61.300 -0.270 0.000 0.950 738 I CB -0.058 37.730 38.000 -0.352 0.000 1.522 738 I HN -0.174 nan 8.210 nan 0.000 0.699 739 T N 2.227 116.684 114.554 -0.160 0.000 2.777 739 T HA -0.065 4.287 4.350 0.003 0.000 0.273 739 T C 0.354 175.001 174.700 -0.089 0.000 1.016 739 T CA 0.242 62.258 62.100 -0.140 0.000 1.156 739 T CB -0.164 68.597 68.868 -0.177 0.000 1.019 739 T HN 0.658 nan 8.240 nan 0.000 0.503 740 S N 1.202 116.829 115.700 -0.121 0.000 2.589 740 S HA 0.102 4.573 4.470 0.003 0.000 0.265 740 S C 1.683 176.138 174.600 -0.241 0.000 1.342 740 S CA -0.657 57.449 58.200 -0.158 0.000 1.005 740 S CB 0.607 63.700 63.200 -0.178 0.000 0.909 740 S HN 0.838 nan 8.310 nan 0.000 0.555 741 K N 1.187 121.311 120.400 -0.460 0.000 2.044 741 K HA -0.168 4.154 4.320 0.003 0.000 0.210 741 K C 1.962 178.267 176.600 -0.491 0.000 1.049 741 K CA 1.758 57.574 56.287 -0.784 0.000 0.927 741 K CB -0.376 31.443 32.500 -1.134 0.000 0.713 741 K HN 0.554 nan 8.250 nan 0.000 0.443 742 L N 1.766 122.603 121.223 -0.644 0.000 1.976 742 L HA -0.080 4.262 4.340 0.003 0.000 0.209 742 L C -1.274 175.341 176.870 -0.426 0.000 1.071 742 L CA 1.760 56.081 54.840 -0.865 0.000 0.746 742 L CB -1.110 40.203 42.059 -1.243 0.000 0.890 742 L HN 0.157 nan 8.230 nan 0.000 0.432 743 P HA -0.113 nan 4.420 nan 0.000 0.220 743 P C 1.472 178.688 177.300 -0.140 0.000 1.148 743 P CA 1.555 64.546 63.100 -0.181 0.000 0.803 743 P CB -0.250 31.351 31.700 -0.165 0.000 0.782 744 T N 0.791 115.253 114.554 -0.153 0.000 2.746 744 T HA -0.072 4.280 4.350 0.003 0.000 0.267 744 T C 1.935 176.591 174.700 -0.073 0.000 1.039 744 T CA 1.092 63.140 62.100 -0.088 0.000 1.142 744 T CB -0.791 68.103 68.868 0.043 0.000 0.866 744 T HN 0.074 nan 8.240 nan 0.000 0.444 745 L N 0.517 121.671 121.223 -0.115 0.000 2.079 745 L HA -0.095 4.247 4.340 0.003 0.000 0.210 745 L C 2.427 179.387 176.870 0.151 0.000 1.081 745 L CA 0.844 55.640 54.840 -0.072 0.000 0.752 745 L CB -0.605 41.188 42.059 -0.443 0.000 0.896 745 L HN 0.253 nan 8.230 nan 0.000 0.433 746 I N -0.867 119.772 120.570 0.114 0.000 2.233 746 I HA -0.236 3.936 4.170 0.003 0.000 0.243 746 I C 2.772 179.013 176.117 0.207 0.000 1.093 746 I CA 1.347 62.795 61.300 0.246 0.000 1.380 746 I CB -1.169 36.926 38.000 0.159 0.000 1.067 746 I HN 0.189 nan 8.210 nan 0.000 0.413 747 S N 0.830 116.595 115.700 0.108 0.000 2.368 747 S HA -0.100 4.372 4.470 0.003 0.000 0.225 747 S C 2.145 176.843 174.600 0.163 0.000 1.030 747 S CA 1.099 59.363 58.200 0.107 0.000 0.999 747 S CB -0.204 62.981 63.200 -0.024 0.000 0.844 747 S HN 0.334 nan 8.310 nan 0.000 0.459 748 L N 0.828 122.138 121.223 0.145 0.000 2.083 748 L HA -0.083 4.259 4.340 0.003 0.000 0.209 748 L C 2.665 179.806 176.870 0.451 0.000 1.083 748 L CA 1.249 56.222 54.840 0.221 0.000 0.752 748 L CB -0.607 41.422 42.059 -0.051 0.000 0.899 748 L HN 0.301 nan 8.230 nan 0.000 0.433 749 S N -0.633 115.371 115.700 0.508 0.000 2.368 749 S HA -0.172 4.300 4.470 0.003 0.000 0.224 749 S C 1.951 176.704 174.600 0.254 0.000 1.029 749 S CA 1.240 59.712 58.200 0.454 0.000 0.988 749 S CB -0.281 63.239 63.200 0.532 0.000 0.838 749 S HN 0.259 nan 8.310 nan 0.000 0.462 750 V N 3.416 123.471 119.914 0.235 0.000 2.358 750 V HA -0.111 4.011 4.120 0.003 0.000 0.246 750 V C 2.008 178.210 176.094 0.180 0.000 1.047 750 V CA 1.753 64.155 62.300 0.170 0.000 1.035 750 V CB -0.513 31.400 31.823 0.150 0.000 0.658 750 V HN 0.666 nan 8.190 nan 0.000 0.452 751 I N -2.010 118.703 120.570 0.238 0.000 2.676 751 I HA -0.126 4.046 4.170 0.003 0.000 0.259 751 I C 2.264 178.544 176.117 0.272 0.000 1.194 751 I CA 1.992 63.448 61.300 0.261 0.000 1.473 751 I CB -0.690 37.481 38.000 0.285 0.000 1.096 751 I HN 0.401 nan 8.210 nan 0.000 0.443 752 E N 2.026 122.374 120.200 0.248 0.000 2.072 752 E HA -0.181 4.171 4.350 0.003 0.000 0.191 752 E C 2.286 178.879 176.600 -0.011 0.000 0.985 752 E CA 1.474 57.860 56.400 -0.024 0.000 0.801 752 E CB -0.063 29.483 29.700 -0.257 0.000 0.750 752 E HN 0.644 nan 8.360 nan 0.000 0.452 753 I N 1.127 121.713 120.570 0.027 0.000 2.163 753 I HA -0.312 3.860 4.170 0.003 0.000 0.243 753 I C 2.375 178.534 176.117 0.069 0.000 1.085 753 I CA 0.998 62.314 61.300 0.026 0.000 1.347 753 I CB -0.256 37.765 38.000 0.035 0.000 1.044 753 I HN 0.203 nan 8.210 nan 0.000 0.408 754 L N -0.200 121.080 121.223 0.096 0.000 2.191 754 L HA -0.147 4.195 4.340 0.003 0.000 0.212 754 L C 2.125 179.008 176.870 0.022 0.000 1.103 754 L CA 0.979 55.875 54.840 0.093 0.000 0.769 754 L CB -0.564 41.577 42.059 0.136 0.000 0.908 754 L HN 0.181 nan 8.230 nan 0.000 0.438 755 S N -1.531 114.216 115.700 0.080 0.000 2.575 755 S HA 0.041 4.512 4.470 0.003 0.000 0.215 755 S C 0.755 175.484 174.600 0.215 0.000 0.966 755 S CA 0.031 58.312 58.200 0.135 0.000 0.911 755 S CB 0.071 63.392 63.200 0.202 0.000 0.780 755 S HN 0.302 nan 8.310 nan 0.000 0.514 756 T N 2.778 117.422 114.554 0.151 0.000 2.806 756 T HA 0.255 4.607 4.350 0.003 0.000 0.290 756 T C -0.454 174.332 174.700 0.143 0.000 0.966 756 T CA -0.329 61.835 62.100 0.107 0.000 1.060 756 T CB 0.507 69.410 68.868 0.058 0.000 0.927 756 T HN 0.193 nan 8.240 nan 0.000 0.485 757 H N 1.706 120.878 119.070 0.171 0.000 2.604 757 H HA 0.481 5.039 4.556 0.003 0.000 0.306 757 H C 0.432 175.805 175.328 0.076 0.000 1.075 757 H CA -0.568 55.540 56.048 0.099 0.000 1.357 757 H CB 0.819 30.606 29.762 0.041 0.000 1.426 757 H HN 0.796 nan 8.280 nan 0.000 0.470 758 A N 2.479 125.409 122.820 0.184 0.000 2.483 758 A HA 0.069 4.390 4.320 0.003 0.000 0.238 758 A C 1.501 179.146 177.584 0.100 0.000 1.070 758 A CA 0.255 52.346 52.037 0.090 0.000 0.770 758 A CB 0.195 19.221 19.000 0.043 0.000 1.008 758 A HN 0.845 nan 8.150 nan 0.000 0.497 759 S N 0.188 115.935 115.700 0.078 0.000 2.481 759 S HA -0.111 4.360 4.470 0.003 0.000 0.231 759 S C 0.642 175.293 174.600 0.086 0.000 0.996 759 S CA 1.158 59.409 58.200 0.085 0.000 0.942 759 S CB -0.303 62.936 63.200 0.065 0.000 0.768 759 S HN 0.801 nan 8.310 nan 0.000 0.520 760 D N 0.355 120.807 120.400 0.087 0.000 2.427 760 D HA 0.226 4.867 4.640 0.003 0.000 0.224 760 D C 0.245 176.573 176.300 0.046 0.000 1.157 760 D CA -0.429 53.624 54.000 0.087 0.000 0.828 760 D CB -0.338 40.540 40.800 0.130 0.000 0.974 760 D HN 0.394 nan 8.370 nan 0.000 0.498 761 E N 0.144 120.338 120.200 -0.010 0.000 2.404 761 E HA 0.223 4.574 4.350 0.003 0.000 0.261 761 E C -0.888 175.574 176.600 -0.231 0.000 1.074 761 E CA -0.375 55.914 56.400 -0.185 0.000 0.917 761 E CB 1.057 30.489 29.700 -0.446 0.000 0.965 761 E HN -0.050 nan 8.360 nan 0.000 0.433 762 V N 5.291 125.039 119.914 -0.275 0.000 2.378 762 V HA 0.276 4.398 4.120 0.003 0.000 0.288 762 V C -0.801 175.141 176.094 -0.254 0.000 1.016 762 V CA -0.633 61.572 62.300 -0.157 0.000 0.840 762 V CB 0.261 32.030 31.823 -0.091 0.000 0.994 762 V HN 0.603 nan 8.190 nan 0.000 0.431 763 Y N 3.006 123.270 120.300 -0.060 0.000 2.392 763 Y HA 0.511 5.063 4.550 0.003 0.000 0.323 763 Y C 0.337 176.213 175.900 -0.041 0.000 1.291 763 Y CA -0.912 57.145 58.100 -0.070 0.000 1.345 763 Y CB 0.879 39.259 38.460 -0.132 0.000 1.320 763 Y HN 0.465 nan 8.280 nan 0.000 0.518 764 L N 1.864 123.185 121.223 0.164 0.000 2.540 764 L HA 0.252 4.594 4.340 0.003 0.000 0.276 764 L C 1.026 177.835 176.870 -0.102 0.000 1.212 764 L CA 1.587 56.497 54.840 0.116 0.000 0.893 764 L CB -0.287 41.850 42.059 0.130 0.000 1.138 764 L HN 0.881 nan 8.230 nan 0.000 0.491 765 G N 2.568 111.269 108.800 -0.165 0.000 2.176 765 G HA2 -0.208 3.754 3.960 0.003 0.000 0.232 765 G HA3 -0.208 3.754 3.960 0.003 0.000 0.232 765 G C 0.228 174.987 174.900 -0.236 0.000 0.986 765 G CA 0.252 45.015 45.100 -0.562 0.000 0.643 765 G HN 0.632 nan 8.290 nan 0.000 0.522 766 Q N -0.520 119.348 119.800 0.112 0.000 2.416 766 Q HA 0.824 5.165 4.340 0.003 0.000 0.279 766 Q C -0.104 176.002 176.000 0.177 0.000 1.101 766 Q CA -0.943 54.972 55.803 0.186 0.000 0.830 766 Q CB 1.881 30.672 28.738 0.088 0.000 1.402 766 Q HN 0.264 nan 8.270 nan 0.000 0.445 767 R N 0.625 121.160 120.500 0.058 0.000 2.771 767 R HA 0.127 4.468 4.340 0.003 0.000 0.274 767 R C -0.501 175.765 176.300 -0.057 0.000 0.987 767 R CA -0.485 55.511 56.100 -0.173 0.000 0.908 767 R CB 1.358 31.353 30.300 -0.508 0.000 1.213 767 R HN 0.798 nan 8.270 nan 0.000 0.468 768 D N -0.512 119.850 120.400 -0.063 0.000 2.378 768 D HA -0.071 4.570 4.640 0.003 0.000 0.227 768 D C -0.026 176.304 176.300 0.051 0.000 1.012 768 D CA 0.665 54.670 54.000 0.010 0.000 0.905 768 D CB 0.245 41.059 40.800 0.025 0.000 0.895 768 D HN 0.232 nan 8.370 nan 0.000 0.532 769 N N -0.426 118.316 118.700 0.070 0.000 2.493 769 N HA 0.098 4.840 4.740 0.003 0.000 0.279 769 N C -2.472 173.144 175.510 0.177 0.000 1.082 769 N CA -1.183 51.937 53.050 0.117 0.000 0.963 769 N CB 2.309 40.888 38.487 0.154 0.000 1.627 769 N HN -0.252 nan 8.380 nan 0.000 0.499 770 P HA 0.007 nan 4.420 nan 0.000 0.234 770 P C -0.052 177.100 177.300 -0.246 0.000 1.167 770 P CA 0.903 63.960 63.100 -0.072 0.000 0.763 770 P CB 0.185 31.729 31.700 -0.260 0.000 0.835 771 H N -0.999 118.127 119.070 0.093 0.000 2.475 771 H HA 0.091 4.649 4.556 0.003 0.000 0.276 771 H C 1.506 176.793 175.328 -0.068 0.000 1.126 771 H CA -0.486 55.529 56.048 -0.055 0.000 1.023 771 H CB -0.509 29.228 29.762 -0.041 0.000 1.669 771 H HN 0.377 nan 8.280 nan 0.000 0.573 772 W N 0.866 122.187 121.300 0.035 0.000 2.387 772 W HA -0.040 4.621 4.660 0.003 0.000 0.272 772 W C -0.131 176.396 176.519 0.013 0.000 1.224 772 W CA 0.816 58.168 57.345 0.013 0.000 1.210 772 W CB -0.591 28.844 29.460 -0.042 0.000 1.125 772 W HN 0.065 nan 8.180 nan 0.000 0.572 773 T N -0.015 114.202 114.554 -0.562 0.000 2.894 773 T HA 0.296 4.648 4.350 0.003 0.000 0.309 773 T C 0.808 175.277 174.700 -0.385 0.000 1.208 773 T CA 0.121 61.941 62.100 -0.467 0.000 1.016 773 T CB 1.633 70.125 68.868 -0.627 0.000 1.192 773 T HN -0.014 nan 8.240 nan 0.000 0.491 774 S N 1.549 117.112 115.700 -0.228 0.000 2.558 774 S HA 0.153 4.625 4.470 0.003 0.000 0.217 774 S C 0.123 174.663 174.600 -0.099 0.000 0.975 774 S CA -0.140 57.982 58.200 -0.129 0.000 0.912 774 S CB -0.113 63.076 63.200 -0.018 0.000 0.776 774 S HN 0.694 nan 8.310 nan 0.000 0.526 775 D N 3.433 123.754 120.400 -0.132 0.000 2.342 775 D HA 0.195 4.837 4.640 0.003 0.000 0.260 775 D C 1.273 177.520 176.300 -0.088 0.000 1.278 775 D CA 0.224 54.170 54.000 -0.090 0.000 0.910 775 D CB 1.354 42.130 40.800 -0.040 0.000 1.079 775 D HN 0.422 nan 8.370 nan 0.000 0.496 776 S N 3.280 118.947 115.700 -0.055 0.000 2.400 776 S HA -0.287 4.185 4.470 0.003 0.000 0.232 776 S C 1.568 176.176 174.600 0.014 0.000 1.025 776 S CA 0.963 59.150 58.200 -0.022 0.000 0.993 776 S CB -0.209 62.984 63.200 -0.012 0.000 0.808 776 S HN 0.573 nan 8.310 nan 0.000 0.478 777 K N 2.240 122.637 120.400 -0.004 0.000 2.026 777 K HA 0.123 4.444 4.320 0.003 0.000 0.208 777 K C 2.392 179.062 176.600 0.116 0.000 1.048 777 K CA 1.245 57.543 56.287 0.018 0.000 0.929 777 K CB -0.808 31.652 32.500 -0.067 0.000 0.713 777 K HN 0.389 nan 8.250 nan 0.000 0.439 778 A N 1.879 124.778 122.820 0.131 0.000 1.930 778 A HA -0.014 4.307 4.320 0.003 0.000 0.217 778 A C 2.263 180.144 177.584 0.495 0.000 1.175 778 A CA 1.063 53.331 52.037 0.385 0.000 0.627 778 A CB -0.664 18.571 19.000 0.391 0.000 0.815 778 A HN 0.257 nan 8.150 nan 0.000 0.443 779 L N -0.775 120.573 121.223 0.209 0.000 2.093 779 L HA -0.206 4.135 4.340 0.003 0.000 0.208 779 L C 2.839 179.903 176.870 0.325 0.000 1.085 779 L CA 1.036 56.026 54.840 0.251 0.000 0.755 779 L CB -0.479 41.600 42.059 0.034 0.000 0.904 779 L HN 0.349 nan 8.230 nan 0.000 0.435 780 Q N -0.153 119.786 119.800 0.231 0.000 2.119 780 Q HA -0.123 4.219 4.340 0.003 0.000 0.201 780 Q C 2.434 178.589 176.000 0.258 0.000 0.972 780 Q CA 1.697 57.616 55.803 0.193 0.000 0.847 780 Q CB -0.462 28.352 28.738 0.127 0.000 0.903 780 Q HN 0.514 nan 8.270 nan 0.000 0.433 781 A N 0.088 123.136 122.820 0.379 0.000 1.933 781 A HA -0.156 4.165 4.320 0.003 0.000 0.218 781 A C 1.915 179.815 177.584 0.527 0.000 1.175 781 A CA 1.130 53.466 52.037 0.497 0.000 0.628 781 A CB -0.721 18.675 19.000 0.660 0.000 0.814 781 A HN 0.340 nan 8.150 nan 0.000 0.444 782 F N 0.473 120.633 119.950 0.350 0.000 2.186 782 F HA -0.103 4.426 4.527 0.003 0.000 0.299 782 F C 2.304 178.092 175.800 -0.020 0.000 1.090 782 F CA 1.939 59.867 58.000 -0.120 0.000 1.307 782 F CB -0.304 38.746 39.000 0.084 0.000 1.019 782 F HN 0.312 nan 8.300 nan 0.000 0.489 783 Q N 0.978 120.799 119.800 0.035 0.000 2.124 783 Q HA -0.171 4.171 4.340 0.003 0.000 0.202 783 Q C 2.070 178.000 176.000 -0.116 0.000 0.977 783 Q CA 1.881 57.632 55.803 -0.087 0.000 0.850 783 Q CB -0.281 28.481 28.738 0.041 0.000 0.901 783 Q HN 0.379 nan 8.270 nan 0.000 0.429 784 K N -0.844 119.557 120.400 0.002 0.000 2.097 784 K HA -0.127 4.195 4.320 0.003 0.000 0.206 784 K C 1.881 178.486 176.600 0.007 0.000 1.049 784 K CA 1.143 57.446 56.287 0.027 0.000 0.933 784 K CB -0.324 32.243 32.500 0.111 0.000 0.717 784 K HN 0.218 nan 8.250 nan 0.000 0.442 785 F N 1.481 121.299 119.950 -0.220 0.000 2.102 785 F HA -0.078 4.451 4.527 0.002 0.000 0.298 785 F C 2.042 177.618 175.800 -0.372 0.000 1.105 785 F CA 1.686 59.504 58.000 -0.303 0.000 1.239 785 F CB -0.898 37.758 39.000 -0.573 0.000 0.991 785 F HN -0.029 nan 8.300 nan 0.000 0.474 786 G N 0.245 108.616 108.800 -0.715 0.000 2.408 786 G HA2 -0.282 3.680 3.960 0.003 0.000 0.217 786 G HA3 -0.282 3.680 3.960 0.003 0.000 0.217 786 G C 1.558 176.209 174.900 -0.416 0.000 1.150 786 G CA 0.834 45.511 45.100 -0.706 0.000 0.776 786 G HN 0.355 nan 8.290 nan 0.000 0.542 787 N N 0.671 119.205 118.700 -0.276 0.000 2.188 787 N HA -0.069 4.672 4.740 0.003 0.000 0.184 787 N C 2.039 177.457 175.510 -0.153 0.000 1.018 787 N CA 1.195 54.141 53.050 -0.174 0.000 0.858 787 N CB -0.230 38.193 38.487 -0.106 0.000 0.989 787 N HN 0.236 nan 8.380 nan 0.000 0.426 788 K N 1.465 121.784 120.400 -0.137 0.000 2.057 788 K HA 0.050 4.371 4.320 0.003 0.000 0.207 788 K C 1.946 178.467 176.600 -0.132 0.000 1.049 788 K CA 0.823 57.062 56.287 -0.080 0.000 0.931 788 K CB -0.433 32.076 32.500 0.014 0.000 0.714 788 K HN 0.121 nan 8.250 nan 0.000 0.440 789 L N 0.317 121.384 121.223 -0.261 0.000 2.083 789 L HA -0.153 4.189 4.340 0.003 0.000 0.209 789 L C 2.239 178.983 176.870 -0.209 0.000 1.083 789 L CA 1.414 56.096 54.840 -0.263 0.000 0.752 789 L CB -0.308 41.489 42.059 -0.437 0.000 0.899 789 L HN 0.145 nan 8.230 nan 0.000 0.433 790 K N -0.166 120.108 120.400 -0.210 0.000 2.097 790 K HA -0.215 4.107 4.320 0.003 0.000 0.205 790 K C 2.034 178.546 176.600 -0.146 0.000 1.050 790 K CA 1.258 57.438 56.287 -0.178 0.000 0.938 790 K CB -0.078 32.324 32.500 -0.163 0.000 0.718 790 K HN 0.292 nan 8.250 nan 0.000 0.442 791 E N 1.220 121.348 120.200 -0.119 0.000 2.077 791 E HA -0.187 4.165 4.350 0.003 0.000 0.193 791 E C 1.927 178.475 176.600 -0.085 0.000 0.989 791 E CA 1.019 57.367 56.400 -0.086 0.000 0.800 791 E CB 0.015 29.680 29.700 -0.059 0.000 0.746 791 E HN 0.243 nan 8.360 nan 0.000 0.452 792 I N 0.894 121.413 120.570 -0.085 0.000 2.252 792 I HA -0.236 3.936 4.170 0.003 0.000 0.245 792 I C 2.618 178.658 176.117 -0.128 0.000 1.102 792 I CA 1.236 62.494 61.300 -0.069 0.000 1.385 792 I CB -0.274 37.704 38.000 -0.036 0.000 1.064 792 I HN 0.239 nan 8.210 nan 0.000 0.414 793 E N 1.160 121.244 120.200 -0.193 0.000 2.085 793 E HA -0.268 4.084 4.350 0.003 0.000 0.194 793 E C 2.000 178.390 176.600 -0.350 0.000 0.994 793 E CA 1.440 57.635 56.400 -0.343 0.000 0.801 793 E CB 0.060 29.553 29.700 -0.345 0.000 0.743 793 E HN 0.482 nan 8.360 nan 0.000 0.453 794 E N 0.348 120.418 120.200 -0.216 0.000 2.110 794 E HA -0.223 4.129 4.350 0.003 0.000 0.193 794 E C 2.081 178.607 176.600 -0.123 0.000 0.988 794 E CA 0.997 57.301 56.400 -0.160 0.000 0.804 794 E CB -0.068 29.569 29.700 -0.105 0.000 0.745 794 E HN 0.150 nan 8.360 nan 0.000 0.458 795 K N 1.086 121.427 120.400 -0.099 0.000 2.057 795 K HA -0.121 4.200 4.320 0.003 0.000 0.206 795 K C 2.112 178.690 176.600 -0.037 0.000 1.050 795 K CA 0.829 57.087 56.287 -0.048 0.000 0.935 795 K CB 0.011 32.498 32.500 -0.021 0.000 0.715 795 K HN 0.091 nan 8.250 nan 0.000 0.439 796 L N 0.683 121.856 121.223 -0.084 0.000 2.141 796 L HA -0.140 4.202 4.340 0.003 0.000 0.209 796 L C 2.351 179.239 176.870 0.030 0.000 1.094 796 L CA 0.590 55.426 54.840 -0.007 0.000 0.763 796 L CB -0.360 41.686 42.059 -0.021 0.000 0.908 796 L HN 0.030 nan 8.230 nan 0.000 0.437 797 V N -0.012 119.823 119.914 -0.132 0.000 2.343 797 V HA -0.248 3.874 4.120 0.003 0.000 0.247 797 V C 2.647 178.772 176.094 0.053 0.000 1.051 797 V CA 1.645 63.942 62.300 -0.004 0.000 1.036 797 V CB -0.585 31.181 31.823 -0.095 0.000 0.654 797 V HN 0.424 nan 8.190 nan 0.000 0.451 798 R N -0.289 120.220 120.500 0.014 0.000 2.096 798 R HA -0.120 4.222 4.340 0.003 0.000 0.235 798 R C 2.534 178.868 176.300 0.056 0.000 1.127 798 R CA 1.346 57.463 56.100 0.029 0.000 0.968 798 R CB -0.342 29.964 30.300 0.011 0.000 0.861 798 R HN 0.489 nan 8.270 nan 0.000 0.440 799 R N 0.372 120.915 120.500 0.072 0.000 2.073 799 R HA -0.062 4.280 4.340 0.003 0.000 0.234 799 R C 1.924 178.293 176.300 0.116 0.000 1.134 799 R CA 1.288 57.444 56.100 0.092 0.000 0.952 799 R CB -0.265 30.101 30.300 0.111 0.000 0.850 799 R HN 0.222 nan 8.270 nan 0.000 0.433 800 N N 0.591 119.385 118.700 0.157 0.000 2.309 800 N HA -0.092 4.649 4.740 0.003 0.000 0.182 800 N C 0.927 176.509 175.510 0.120 0.000 1.018 800 N CA 0.909 54.058 53.050 0.164 0.000 0.876 800 N CB -0.180 38.439 38.487 0.219 0.000 0.972 800 N HN 0.239 nan 8.380 nan 0.000 0.434 801 N N 0.796 119.555 118.700 0.099 0.000 2.412 801 N HA -0.068 4.674 4.740 0.003 0.000 0.184 801 N C -0.232 175.314 175.510 0.059 0.000 1.101 801 N CA 0.197 53.292 53.050 0.074 0.000 0.881 801 N CB 0.040 38.564 38.487 0.062 0.000 0.969 801 N HN 0.189 nan 8.380 nan 0.000 0.459 802 D N 1.602 122.039 120.400 0.061 0.000 2.344 802 D HA 0.103 4.745 4.640 0.003 0.000 0.253 802 D C -1.640 174.689 176.300 0.048 0.000 1.255 802 D CA -2.005 52.024 54.000 0.049 0.000 0.894 802 D CB 1.494 42.323 40.800 0.048 0.000 1.067 802 D HN 0.008 nan 8.370 nan 0.000 0.492 803 P HA -0.100 nan 4.420 nan 0.000 0.218 803 P C 1.061 178.383 177.300 0.035 0.000 1.146 803 P CA 0.819 63.942 63.100 0.038 0.000 0.813 803 P CB 0.310 32.029 31.700 0.031 0.000 0.778 804 S N -1.211 114.509 115.700 0.032 0.000 2.515 804 S HA 0.055 4.526 4.470 0.003 0.000 0.231 804 S C 1.303 175.921 174.600 0.030 0.000 0.987 804 S CA 0.730 58.947 58.200 0.028 0.000 0.936 804 S CB -0.596 62.619 63.200 0.024 0.000 0.766 804 S HN 0.181 nan 8.310 nan 0.000 0.528 805 L N 0.767 122.013 121.223 0.039 0.000 2.808 805 L HA 0.245 4.587 4.340 0.003 0.000 0.246 805 L C 2.166 179.067 176.870 0.051 0.000 1.153 805 L CA -0.045 54.821 54.840 0.043 0.000 0.956 805 L CB -0.155 41.936 42.059 0.053 0.000 1.270 805 L HN 0.161 nan 8.230 nan 0.000 0.528 806 Q N 1.574 121.404 119.800 0.051 0.000 2.135 806 Q HA -0.169 4.173 4.340 0.003 0.000 0.204 806 Q C 1.960 177.993 176.000 0.055 0.000 0.981 806 Q CA 2.119 57.956 55.803 0.058 0.000 0.856 806 Q CB -0.094 28.674 28.738 0.050 0.000 0.902 806 Q HN 0.516 nan 8.270 nan 0.000 0.425 807 G N 0.869 109.692 108.800 0.039 0.000 2.469 807 G HA2 -0.280 3.682 3.960 0.003 0.000 0.219 807 G HA3 -0.280 3.682 3.960 0.003 0.000 0.219 807 G C 1.304 176.222 174.900 0.029 0.000 1.150 807 G CA 1.085 46.203 45.100 0.031 0.000 0.763 807 G HN 0.385 nan 8.290 nan 0.000 0.561 808 N N -0.430 118.282 118.700 0.021 0.000 2.414 808 N HA 0.088 4.829 4.740 0.003 0.000 0.177 808 N C 2.166 177.701 175.510 0.041 0.000 1.062 808 N CA 0.111 53.165 53.050 0.007 0.000 0.890 808 N CB -0.015 38.451 38.487 -0.034 0.000 1.070 808 N HN 0.278 nan 8.380 nan 0.000 0.454 809 R N -0.260 120.285 120.500 0.075 0.000 2.240 809 R HA 0.197 4.539 4.340 0.003 0.000 0.203 809 R C 0.728 177.143 176.300 0.191 0.000 1.011 809 R CA 0.635 56.818 56.100 0.138 0.000 1.007 809 R CB 0.313 30.701 30.300 0.146 0.000 0.911 809 R HN 0.081 nan 8.270 nan 0.000 0.468 810 L N -1.806 119.504 121.223 0.145 0.000 2.713 810 L HA 0.317 4.658 4.340 0.003 0.000 0.223 810 L C 0.927 177.875 176.870 0.130 0.000 1.040 810 L CA 0.909 55.836 54.840 0.145 0.000 0.894 810 L CB 0.129 42.254 42.059 0.109 0.000 1.361 810 L HN 0.268 nan 8.230 nan 0.000 0.490 811 G N 0.661 109.521 108.800 0.101 0.000 2.804 811 G HA2 -0.227 3.735 3.960 0.003 0.000 0.230 811 G HA3 -0.227 3.735 3.960 0.003 0.000 0.230 811 G C -1.947 173.000 174.900 0.078 0.000 1.386 811 G CA -0.101 45.053 45.100 0.089 0.000 0.875 811 G HN 0.127 nan 8.290 nan 0.000 0.557 812 P HA -0.037 nan 4.420 nan 0.000 0.226 812 P C 1.857 179.193 177.300 0.060 0.000 1.153 812 P CA 2.101 65.234 63.100 0.055 0.000 0.777 812 P CB -0.270 31.456 31.700 0.044 0.000 0.794 813 V N -4.388 115.576 119.914 0.084 0.000 3.461 813 V HA 0.035 4.156 4.120 0.003 0.000 0.267 813 V C 0.734 176.860 176.094 0.052 0.000 1.186 813 V CA 0.306 62.652 62.300 0.078 0.000 1.154 813 V CB -1.358 30.533 31.823 0.113 0.000 0.802 813 V HN -0.013 nan 8.190 nan 0.000 0.474 814 Q N -0.111 119.726 119.800 0.063 0.000 2.439 814 Q HA -0.207 4.134 4.340 0.003 0.000 0.325 814 Q C -0.415 175.615 176.000 0.050 0.000 1.372 814 Q CA 0.956 56.793 55.803 0.057 0.000 0.909 814 Q CB -1.539 27.223 28.738 0.039 0.000 1.167 814 Q HN 0.700 nan 8.270 nan 0.000 0.418 815 L N 0.573 121.838 121.223 0.070 0.000 2.337 815 L HA 0.470 4.811 4.340 0.003 0.000 0.269 815 L C -2.425 174.541 176.870 0.160 0.000 1.018 815 L CA -1.800 53.065 54.840 0.041 0.000 0.876 815 L CB 1.378 43.384 42.059 -0.089 0.000 1.236 815 L HN -0.179 nan 8.230 nan 0.000 0.436 816 P HA -0.075 nan 4.420 nan 0.000 0.261 816 P C -1.299 176.160 177.300 0.266 0.000 1.183 816 P CA 0.325 63.538 63.100 0.188 0.000 0.761 816 P CB -0.023 31.749 31.700 0.120 0.000 0.785 817 Y N 3.890 124.283 120.300 0.155 0.000 2.680 817 Y HA 0.087 4.639 4.550 0.003 0.000 0.356 817 Y C 1.168 176.994 175.900 -0.124 0.000 1.122 817 Y CA 0.639 58.799 58.100 0.100 0.000 1.509 817 Y CB -0.293 38.244 38.460 0.128 0.000 1.245 817 Y HN 0.356 nan 8.280 nan 0.000 0.513 818 T N 1.376 115.480 114.554 -0.749 0.000 3.085 818 T HA 0.119 4.470 4.350 0.003 0.000 0.264 818 T C 1.479 175.592 174.700 -0.978 0.000 1.019 818 T CA -0.097 61.357 62.100 -1.077 0.000 0.910 818 T CB -0.258 67.918 68.868 -1.153 0.000 1.059 818 T HN 0.634 nan 8.240 nan 0.000 0.542 819 L N 0.254 120.711 121.223 -1.277 0.000 2.261 819 L HA 0.147 4.488 4.340 0.003 0.000 0.216 819 L C 1.801 178.461 176.870 -0.351 0.000 1.114 819 L CA 1.197 55.523 54.840 -0.857 0.000 0.777 819 L CB -0.287 41.244 42.059 -0.879 0.000 0.910 819 L HN 0.352 nan 8.230 nan 0.000 0.440 820 L N -1.638 119.449 121.223 -0.227 0.000 2.769 820 L HA 0.123 4.465 4.340 0.003 0.000 0.240 820 L C -0.182 176.776 176.870 0.147 0.000 1.163 820 L CA -0.569 54.300 54.840 0.049 0.000 0.962 820 L CB 0.066 42.232 42.059 0.179 0.000 1.258 820 L HN 0.020 nan 8.230 nan 0.000 0.513 821 Y N 1.197 121.421 120.300 -0.126 0.000 2.632 821 Y HA 0.055 4.607 4.550 0.002 0.000 0.329 821 Y C -1.229 174.598 175.900 -0.121 0.000 1.174 821 Y CA -2.504 55.530 58.100 -0.110 0.000 1.469 821 Y CB 0.152 38.532 38.460 -0.133 0.000 1.242 821 Y HN -0.040 nan 8.280 nan 0.000 0.540 822 P HA -0.123 nan 4.420 nan 0.000 0.216 822 P C -0.005 177.191 177.300 -0.172 0.000 1.150 822 P CA 1.541 64.600 63.100 -0.068 0.000 0.837 822 P CB 0.233 31.856 31.700 -0.127 0.000 0.786 823 S N -2.128 113.430 115.700 -0.238 0.000 2.651 823 S HA 0.678 5.150 4.470 0.003 0.000 0.291 823 S C -0.194 174.120 174.600 -0.477 0.000 1.141 823 S CA -0.475 57.451 58.200 -0.456 0.000 1.027 823 S CB 1.604 64.604 63.200 -0.334 0.000 1.043 823 S HN -0.006 nan 8.310 nan 0.000 0.530 824 S N 0.164 115.404 115.700 -0.767 0.000 2.565 824 S HA 0.401 4.873 4.470 0.003 0.000 0.274 824 S C -1.572 172.776 174.600 -0.419 0.000 1.144 824 S CA -0.688 57.212 58.200 -0.500 0.000 0.849 824 S CB 1.246 64.164 63.200 -0.471 0.000 1.103 824 S HN 0.769 nan 8.310 nan 0.000 0.455 825 E N 1.842 121.944 120.200 -0.163 0.000 2.359 825 E HA 0.270 4.622 4.350 0.003 0.000 0.255 825 E C 0.127 176.745 176.600 0.030 0.000 1.191 825 E CA -0.558 55.807 56.400 -0.059 0.000 0.952 825 E CB 0.333 30.024 29.700 -0.016 0.000 1.152 825 E HN 0.773 nan 8.360 nan 0.000 0.496 826 E N 0.264 120.510 120.200 0.076 0.000 2.409 826 E HA 0.333 4.685 4.350 0.003 0.000 0.257 826 E C 0.566 177.247 176.600 0.136 0.000 1.150 826 E CA -0.005 56.475 56.400 0.133 0.000 0.942 826 E CB 0.516 30.275 29.700 0.098 0.000 0.979 826 E HN 0.582 nan 8.360 nan 0.000 0.447 827 G N 0.326 109.220 108.800 0.157 0.000 2.466 827 G HA2 -0.166 3.796 3.960 0.003 0.000 0.316 827 G HA3 -0.166 3.796 3.960 0.003 0.000 0.316 827 G C -1.020 173.956 174.900 0.127 0.000 1.270 827 G CA -0.322 44.846 45.100 0.113 0.000 0.982 827 G HN 0.609 nan 8.290 nan 0.000 0.506 828 L N 2.054 123.340 121.223 0.106 0.000 2.449 828 L HA 0.466 4.808 4.340 0.003 0.000 0.255 828 L C 2.018 179.024 176.870 0.226 0.000 1.167 828 L CA 0.459 55.382 54.840 0.139 0.000 1.090 828 L CB 0.202 42.314 42.059 0.088 0.000 1.385 828 L HN 0.957 nan 8.230 nan 0.000 0.411 829 T N -0.861 113.816 114.554 0.206 0.000 3.044 829 T HA 0.001 4.353 4.350 0.003 0.000 0.250 829 T C 0.950 175.754 174.700 0.174 0.000 1.081 829 T CA -0.170 62.055 62.100 0.208 0.000 1.040 829 T CB -0.108 68.861 68.868 0.169 0.000 0.962 829 T HN 0.402 nan 8.240 nan 0.000 0.506 830 F N 2.405 122.289 119.950 -0.110 0.000 3.034 830 F HA -0.252 4.276 4.527 0.002 0.000 0.286 830 F C 0.195 175.867 175.800 -0.213 0.000 0.804 830 F CA 0.885 58.728 58.000 -0.263 0.000 1.161 830 F CB -1.348 37.244 39.000 -0.680 0.000 1.317 830 F HN 0.728 nan 8.300 nan 0.000 0.453 831 R N -0.355 120.079 120.500 -0.110 0.000 2.733 831 R HA 0.726 5.068 4.340 0.003 0.000 0.272 831 R C 0.070 176.340 176.300 -0.051 0.000 1.029 831 R CA -0.826 55.158 56.100 -0.192 0.000 0.888 831 R CB 1.292 31.459 30.300 -0.221 0.000 1.251 831 R HN 1.288 nan 8.270 nan 0.000 0.464 832 G N 0.814 109.556 108.800 -0.097 0.000 3.209 832 G HA2 0.002 3.964 3.960 0.003 0.000 0.686 832 G HA3 0.002 3.964 3.960 0.003 0.000 0.686 832 G C -0.878 174.029 174.900 0.011 0.000 1.065 832 G CA -0.581 44.424 45.100 -0.158 0.000 0.812 832 G HN 0.540 nan 8.290 nan 0.000 0.573 833 I N 4.190 124.834 120.570 0.123 0.000 2.371 833 I HA 0.273 4.445 4.170 0.003 0.000 0.282 833 I C -2.061 174.208 176.117 0.255 0.000 1.031 833 I CA -2.210 59.202 61.300 0.186 0.000 1.180 833 I CB 2.010 40.090 38.000 0.134 0.000 1.336 833 I HN 0.189 nan 8.210 nan 0.000 0.467 834 P HA 0.158 nan 4.420 nan 0.000 0.272 834 P C 0.296 177.657 177.300 0.101 0.000 1.240 834 P CA -0.319 62.756 63.100 -0.040 0.000 0.791 834 P CB 0.705 32.415 31.700 0.016 0.000 0.978 835 N N -0.843 117.883 118.700 0.043 0.000 2.309 835 N HA -0.049 4.692 4.740 0.003 0.000 0.182 835 N C 0.661 176.312 175.510 0.235 0.000 1.018 835 N CA 1.026 54.164 53.050 0.147 0.000 0.876 835 N CB -0.120 38.293 38.487 -0.124 0.000 0.972 835 N HN 0.520 nan 8.380 nan 0.000 0.434 836 S N -1.092 114.680 115.700 0.120 0.000 2.732 836 S HA 0.538 5.010 4.470 0.003 0.000 0.293 836 S C -0.318 174.287 174.600 0.007 0.000 1.159 836 S CA -0.849 57.414 58.200 0.104 0.000 0.847 836 S CB 1.286 64.532 63.200 0.077 0.000 1.169 836 S HN -0.012 nan 8.310 nan 0.000 0.501 837 I N 2.903 123.381 120.570 -0.153 0.000 2.260 837 I HA 0.184 4.356 4.170 0.003 0.000 0.297 837 I C 0.997 176.968 176.117 -0.244 0.000 1.143 837 I CA -0.194 60.748 61.300 -0.596 0.000 1.271 837 I CB 0.569 38.129 38.000 -0.733 0.000 1.461 837 I HN 0.825 nan 8.210 nan 0.000 0.530 838 S N 5.031 120.704 115.700 -0.044 0.000 2.539 838 S HA 0.359 4.831 4.470 0.003 0.000 0.221 838 S C 0.137 174.848 174.600 0.185 0.000 0.987 838 S CA -0.231 58.029 58.200 0.101 0.000 0.929 838 S CB 0.318 63.596 63.200 0.130 0.000 0.832 838 S HN 0.460 nan 8.310 nan 0.000 0.492 839 I N 0.000 120.718 120.570 0.246 0.000 2.984 839 I HA 0.000 4.172 4.170 0.003 0.000 0.288 839 I CA 0.000 61.478 61.300 0.297 0.000 1.566 839 I CB 0.000 38.167 38.000 0.279 0.000 1.214 839 I HN 0.000 nan 8.210 nan 0.000 0.494