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 2igo_1_F DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.273 176.300 -0.045 0.000 1.140 43 M CA 0.000 55.319 55.300 0.032 0.000 0.988 43 M CB 0.000 32.466 32.600 -0.223 0.000 1.302 44 D N 1.547 121.938 120.400 -0.016 0.000 2.364 44 D HA 0.225 4.865 4.640 0.000 0.000 0.236 44 D C 1.237 177.414 176.300 -0.204 0.000 1.221 44 D CA 0.434 54.330 54.000 -0.173 0.000 0.891 44 D CB 0.772 41.363 40.800 -0.348 0.000 1.190 44 D HN 0.708 nan 8.370 nan 0.000 0.449 45 I N -2.351 118.094 120.570 -0.208 0.000 3.936 45 I HA 0.295 4.465 4.170 0.000 0.000 0.330 45 I C 0.071 176.114 176.117 -0.123 0.000 1.509 45 I CA -0.426 60.808 61.300 -0.110 0.000 1.126 45 I CB 0.243 38.201 38.000 -0.070 0.000 1.115 45 I HN -0.053 nan 8.210 nan 0.000 0.424 46 K N 1.221 121.405 120.400 -0.360 0.000 2.502 46 K HA 0.534 4.854 4.320 0.000 0.000 0.254 46 K C -1.854 174.451 176.600 -0.491 0.000 0.947 46 K CA -0.370 55.755 56.287 -0.270 0.000 0.834 46 K CB 0.856 33.270 32.500 -0.144 0.000 1.112 46 K HN 0.172 nan 8.250 nan 0.000 0.427 47 Y N 1.455 121.735 120.300 -0.033 0.000 2.562 47 Y HA 0.260 4.810 4.550 0.000 0.000 0.343 47 Y C 0.765 176.633 175.900 -0.053 0.000 1.025 47 Y CA -0.735 57.337 58.100 -0.048 0.000 1.082 47 Y CB 1.829 40.255 38.460 -0.055 0.000 1.264 47 Y HN 0.614 nan 8.280 nan 0.000 0.478 48 D N 0.248 120.725 120.400 0.128 0.000 2.091 48 D HA -0.006 4.634 4.640 0.000 0.000 0.199 48 D C -0.268 176.031 176.300 -0.002 0.000 0.980 48 D CA 1.484 55.548 54.000 0.106 0.000 0.831 48 D CB 0.178 41.112 40.800 0.223 0.000 0.987 48 D HN 0.117 nan 8.370 nan 0.000 0.460 49 V N 1.113 121.014 119.914 -0.020 0.000 2.588 49 V HA 0.384 4.504 4.120 0.000 0.000 0.304 49 V C -0.257 175.739 176.094 -0.165 0.000 1.042 49 V CA -1.007 61.191 62.300 -0.171 0.000 0.877 49 V CB 2.396 34.102 31.823 -0.196 0.000 0.996 49 V HN 0.007 nan 8.190 nan 0.000 0.425 50 V N 3.124 122.893 119.914 -0.243 0.000 2.555 50 V HA 0.745 4.865 4.120 0.000 0.000 0.302 50 V C -0.628 175.405 176.094 -0.102 0.000 1.038 50 V CA -0.617 61.598 62.300 -0.142 0.000 0.887 50 V CB 1.765 33.573 31.823 -0.025 0.000 0.991 50 V HN 0.683 nan 8.190 nan 0.000 0.434 51 I N 4.068 124.607 120.570 -0.051 0.000 2.436 51 I HA 0.468 4.638 4.170 0.000 0.000 0.289 51 I C -0.587 175.557 176.117 0.044 0.000 1.010 51 I CA -0.942 60.320 61.300 -0.064 0.000 1.098 51 I CB 2.251 40.200 38.000 -0.084 0.000 1.266 51 I HN 0.445 nan 8.210 nan 0.000 0.434 52 V N 5.595 125.518 119.914 0.016 0.000 2.348 52 V HA 0.771 4.891 4.120 0.000 0.000 0.270 52 V C 0.466 176.571 176.094 0.017 0.000 1.037 52 V CA -0.211 62.120 62.300 0.053 0.000 0.872 52 V CB 0.471 32.300 31.823 0.011 0.000 1.002 52 V HN 1.063 nan 8.190 nan 0.000 0.464 53 G N 3.917 112.743 108.800 0.044 0.000 2.885 53 G HA2 0.012 3.972 3.960 0.000 0.000 0.685 53 G HA3 0.012 3.972 3.960 0.000 0.000 0.685 53 G C -0.127 174.796 174.900 0.038 0.000 1.216 53 G CA -0.266 44.853 45.100 0.032 0.000 0.790 53 G HN 1.300 nan 8.290 nan 0.000 0.631 54 S N 1.032 116.758 115.700 0.043 0.000 2.624 54 S HA 0.630 5.100 4.470 0.000 0.000 0.246 54 S C 1.181 175.802 174.600 0.035 0.000 1.072 54 S CA 0.681 58.914 58.200 0.055 0.000 1.045 54 S CB 0.556 63.802 63.200 0.078 0.000 0.851 54 S HN 1.930 nan 8.310 nan 0.000 0.480 55 G N 2.534 111.346 108.800 0.020 0.000 2.553 55 G HA2 0.434 4.394 3.960 0.000 0.000 0.278 55 G HA3 0.434 4.394 3.960 0.000 0.000 0.278 55 G C -1.177 173.716 174.900 -0.011 0.000 1.349 55 G CA -1.452 43.645 45.100 -0.006 0.000 1.037 55 G HN 0.251 nan 8.290 nan 0.000 0.508 56 P HA -0.077 nan 4.420 nan 0.000 0.220 56 P C 1.717 178.981 177.300 -0.059 0.000 1.148 56 P CA 0.801 63.873 63.100 -0.047 0.000 0.803 56 P CB 0.190 31.888 31.700 -0.004 0.000 0.782 57 I N 0.187 120.752 120.570 -0.008 0.000 2.277 57 I HA -0.047 4.123 4.170 0.000 0.000 0.243 57 I C 2.747 178.934 176.117 0.116 0.000 1.094 57 I CA 1.550 62.874 61.300 0.041 0.000 1.393 57 I CB -2.318 35.732 38.000 0.083 0.000 1.078 57 I HN 0.001 nan 8.210 nan 0.000 0.417 58 G N 0.556 109.403 108.800 0.078 0.000 2.469 58 G HA2 -0.271 3.689 3.960 0.000 0.000 0.219 58 G HA3 -0.271 3.689 3.960 0.000 0.000 0.219 58 G C 1.772 176.685 174.900 0.020 0.000 1.150 58 G CA 1.184 46.319 45.100 0.059 0.000 0.763 58 G HN 0.422 nan 8.290 nan 0.000 0.561 59 C N 0.531 119.821 119.300 -0.016 0.000 2.419 59 C HA 0.030 4.490 4.460 0.000 0.000 0.283 59 C C 3.173 178.059 174.990 -0.174 0.000 1.373 59 C CA 1.355 60.328 59.018 -0.075 0.000 1.781 59 C CB -1.040 26.700 27.740 -0.000 0.000 1.886 59 C HN 0.457 nan 8.230 nan 0.000 0.520 60 T N -0.054 114.419 114.554 -0.135 0.000 2.737 60 T HA -0.133 4.217 4.350 0.000 0.000 0.265 60 T C 1.471 176.025 174.700 -0.242 0.000 1.038 60 T CA 1.507 63.492 62.100 -0.191 0.000 1.144 60 T CB -0.414 68.351 68.868 -0.171 0.000 0.866 60 T HN 0.548 nan 8.240 nan 0.000 0.434 61 Y N 1.574 121.746 120.300 -0.215 0.000 2.151 61 Y HA -0.126 4.424 4.550 0.000 0.000 0.284 61 Y C 2.733 178.423 175.900 -0.350 0.000 1.166 61 Y CA 1.069 59.019 58.100 -0.251 0.000 1.163 61 Y CB -0.628 37.703 38.460 -0.214 0.000 0.974 61 Y HN 0.208 nan 8.280 nan 0.000 0.511 62 A N 0.000 122.636 122.820 -0.308 0.000 1.873 62 A HA -0.191 4.129 4.320 0.000 0.000 0.215 62 A C 2.292 179.281 177.584 -0.991 0.000 1.186 62 A CA 1.607 53.218 52.037 -0.709 0.000 0.616 62 A CB -0.702 17.680 19.000 -1.029 0.000 0.823 62 A HN 0.405 nan 8.150 nan 0.000 0.442 63 R N -0.293 119.715 120.500 -0.821 0.000 2.083 63 R HA -0.163 4.177 4.340 0.000 0.000 0.237 63 R C 2.002 178.084 176.300 -0.363 0.000 1.137 63 R CA 1.801 57.571 56.100 -0.550 0.000 0.951 63 R CB -0.223 29.800 30.300 -0.462 0.000 0.851 63 R HN 0.602 nan 8.270 nan 0.000 0.434 64 E N 0.387 120.406 120.200 -0.302 0.000 2.028 64 E HA -0.157 4.193 4.350 0.000 0.000 0.190 64 E C 2.204 178.719 176.600 -0.143 0.000 0.984 64 E CA 1.104 57.397 56.400 -0.179 0.000 0.800 64 E CB -0.132 29.465 29.700 -0.172 0.000 0.758 64 E HN 0.385 nan 8.360 nan 0.000 0.448 65 L N 0.689 121.797 121.223 -0.192 0.000 2.044 65 L HA -0.113 4.227 4.340 0.000 0.000 0.205 65 L C 2.631 179.513 176.870 0.020 0.000 1.075 65 L CA 0.514 55.273 54.840 -0.134 0.000 0.747 65 L CB -0.497 41.388 42.059 -0.290 0.000 0.903 65 L HN -0.041 nan 8.230 nan 0.000 0.435 66 V N 0.567 120.412 119.914 -0.116 0.000 2.332 66 V HA -0.253 3.867 4.120 0.000 0.000 0.248 66 V C 2.596 178.702 176.094 0.019 0.000 1.055 66 V CA 2.153 64.424 62.300 -0.049 0.000 1.038 66 V CB -1.330 30.374 31.823 -0.198 0.000 0.651 66 V HN 0.593 nan 8.190 nan 0.000 0.450 67 G N -0.721 108.065 108.800 -0.022 0.000 2.443 67 G HA2 -0.076 3.884 3.960 0.000 0.000 0.219 67 G HA3 -0.076 3.884 3.960 0.000 0.000 0.219 67 G C 1.455 176.381 174.900 0.045 0.000 1.131 67 G CA 0.730 45.840 45.100 0.016 0.000 0.775 67 G HN 0.643 nan 8.290 nan 0.000 0.547 68 A N -0.267 122.601 122.820 0.080 0.000 2.259 68 A HA 0.478 4.798 4.320 0.000 0.000 0.208 68 A C 1.944 179.577 177.584 0.082 0.000 1.201 68 A CA 1.197 53.307 52.037 0.122 0.000 0.824 68 A CB -0.509 18.634 19.000 0.237 0.000 0.838 68 A HN 1.521 nan 8.150 nan 0.000 0.485 69 G N -2.230 106.613 108.800 0.072 0.000 2.157 69 G HA2 -0.286 3.674 3.960 0.000 0.000 0.248 69 G HA3 -0.286 3.674 3.960 0.000 0.000 0.248 69 G C -0.012 174.841 174.900 -0.078 0.000 0.979 69 G CA 0.229 45.326 45.100 -0.006 0.000 0.650 69 G HN 0.423 nan 8.290 nan 0.000 0.529 70 Y N 0.408 120.698 120.300 -0.018 0.000 2.379 70 Y HA 0.428 4.978 4.550 0.000 0.000 0.337 70 Y C 1.114 176.993 175.900 -0.035 0.000 1.238 70 Y CA 0.063 58.148 58.100 -0.025 0.000 1.405 70 Y CB 0.695 39.135 38.460 -0.035 0.000 1.310 70 Y HN 0.090 nan 8.280 nan 0.000 0.569 71 K N 2.691 123.158 120.400 0.110 0.000 2.273 71 K HA 0.442 4.762 4.320 0.000 0.000 0.287 71 K C -1.635 175.052 176.600 0.144 0.000 1.089 71 K CA -0.172 56.154 56.287 0.064 0.000 0.909 71 K CB 0.111 32.615 32.500 0.006 0.000 1.123 71 K HN 0.505 nan 8.250 nan 0.000 0.473 72 V N 3.144 123.122 119.914 0.108 0.000 2.513 72 V HA 0.583 4.703 4.120 0.000 0.000 0.299 72 V C -0.283 175.687 176.094 -0.206 0.000 1.035 72 V CA -0.931 61.384 62.300 0.026 0.000 0.889 72 V CB 1.446 33.334 31.823 0.108 0.000 0.988 72 V HN 0.890 nan 8.190 nan 0.000 0.440 73 A N 5.651 128.194 122.820 -0.462 0.000 2.342 73 A HA 0.931 5.251 4.320 0.000 0.000 0.323 73 A C -0.664 176.536 177.584 -0.640 0.000 1.125 73 A CA -0.608 50.922 52.037 -0.845 0.000 0.785 73 A CB 1.493 19.593 19.000 -1.500 0.000 1.221 73 A HN 0.907 nan 8.150 nan 0.000 0.463 74 M N 2.457 121.606 119.600 -0.752 0.000 2.326 74 M HA 0.716 5.196 4.480 0.000 0.000 0.306 74 M C -2.152 173.827 176.300 -0.535 0.000 1.054 74 M CA -0.407 54.652 55.300 -0.401 0.000 0.922 74 M CB 1.152 33.714 32.600 -0.063 0.000 1.632 74 M HN 0.598 nan 8.290 nan 0.000 0.436 75 F N 2.420 122.360 119.950 -0.015 0.000 2.480 75 F HA 0.583 5.110 4.527 0.000 0.000 0.329 75 F C -0.073 175.725 175.800 -0.004 0.000 1.091 75 F CA -0.461 57.548 58.000 0.015 0.000 0.972 75 F CB 1.410 40.394 39.000 -0.026 0.000 1.150 75 F HN 0.454 nan 8.300 nan 0.000 0.467 76 D N 2.634 123.134 120.400 0.167 0.000 2.819 76 D HA 0.222 4.862 4.640 0.000 0.000 0.232 76 D C 0.408 176.735 176.300 0.044 0.000 1.160 76 D CA -0.359 53.686 54.000 0.075 0.000 0.858 76 D CB 2.499 43.327 40.800 0.047 0.000 1.610 76 D HN 0.646 nan 8.370 nan 0.000 0.481 77 I N 1.760 122.308 120.570 -0.036 0.000 2.676 77 I HA 0.064 4.234 4.170 0.000 0.000 0.259 77 I C 1.085 177.165 176.117 -0.062 0.000 1.194 77 I CA 0.681 61.918 61.300 -0.105 0.000 1.473 77 I CB 0.139 37.960 38.000 -0.299 0.000 1.096 77 I HN 0.331 nan 8.210 nan 0.000 0.443 78 G N 0.014 108.796 108.800 -0.030 0.000 2.537 78 G HA2 0.390 4.350 3.960 0.000 0.000 0.297 78 G HA3 0.390 4.350 3.960 0.000 0.000 0.297 78 G C -0.863 174.054 174.900 0.028 0.000 1.310 78 G CA -0.423 44.681 45.100 0.006 0.000 1.027 78 G HN 0.293 nan 8.290 nan 0.000 0.505 79 E N -1.423 118.798 120.200 0.035 0.000 2.281 79 E HA 0.379 4.729 4.350 0.000 0.000 0.262 79 E C -0.503 176.118 176.600 0.035 0.000 0.933 79 E CA -0.754 55.667 56.400 0.036 0.000 0.809 79 E CB 2.502 32.226 29.700 0.040 0.000 1.242 79 E HN 0.270 nan 8.360 nan 0.000 0.418 80 I N 2.540 123.129 120.570 0.031 0.000 2.517 80 I HA -0.006 4.164 4.170 0.000 0.000 0.285 80 I C -0.199 175.942 176.117 0.040 0.000 1.106 80 I CA 0.672 61.992 61.300 0.033 0.000 1.402 80 I CB 0.109 38.123 38.000 0.023 0.000 1.399 80 I HN 0.510 nan 8.210 nan 0.000 0.535 81 D N 2.672 123.101 120.400 0.050 0.000 3.404 81 D HA 0.043 4.683 4.640 0.000 0.000 0.329 81 D C -0.145 176.205 176.300 0.083 0.000 1.421 81 D CA -0.349 53.687 54.000 0.061 0.000 0.742 81 D CB -0.044 40.791 40.800 0.058 0.000 1.290 81 D HN 0.205 nan 8.370 nan 0.000 0.600 82 S N -0.108 115.643 115.700 0.086 0.000 2.664 82 S HA 0.632 5.102 4.470 0.000 0.000 0.245 82 S C 0.929 175.596 174.600 0.113 0.000 1.019 82 S CA 0.018 58.288 58.200 0.116 0.000 0.996 82 S CB 0.662 63.933 63.200 0.118 0.000 0.878 82 S HN 0.885 nan 8.310 nan 0.000 0.493 83 G N 1.470 110.324 108.800 0.090 0.000 2.584 83 G HA2 -0.231 3.729 3.960 0.000 0.000 0.229 83 G HA3 -0.231 3.729 3.960 0.000 0.000 0.229 83 G C 0.338 175.271 174.900 0.056 0.000 1.320 83 G CA -0.221 44.925 45.100 0.076 0.000 0.891 83 G HN 0.303 nan 8.290 nan 0.000 0.573 84 L N 0.295 121.545 121.223 0.046 0.000 2.217 84 L HA 0.119 4.459 4.340 0.000 0.000 0.211 84 L C 1.533 178.416 176.870 0.021 0.000 1.107 84 L CA 1.089 55.945 54.840 0.027 0.000 0.783 84 L CB -0.298 41.773 42.059 0.020 0.000 0.919 84 L HN 0.331 nan 8.230 nan 0.000 0.442 85 K N 1.755 122.177 120.400 0.037 0.000 2.250 85 K HA 0.313 4.633 4.320 0.000 0.000 0.285 85 K C -0.323 176.299 176.600 0.037 0.000 1.097 85 K CA -0.192 56.113 56.287 0.030 0.000 0.913 85 K CB 0.729 33.261 32.500 0.053 0.000 1.179 85 K HN 0.091 nan 8.250 nan 0.000 0.462 86 I N 2.143 122.719 120.570 0.010 0.000 2.668 86 I HA -0.070 4.100 4.170 0.000 0.000 0.285 86 I C 1.337 177.471 176.117 0.029 0.000 1.168 86 I CA 0.679 61.990 61.300 0.017 0.000 1.424 86 I CB 0.232 38.231 38.000 -0.001 0.000 1.377 86 I HN 0.957 nan 8.210 nan 0.000 0.560 87 G N 4.375 113.204 108.800 0.049 0.000 2.179 87 G HA2 -0.193 3.767 3.960 0.000 0.000 0.257 87 G HA3 -0.193 3.767 3.960 0.000 0.000 0.257 87 G C 0.279 175.228 174.900 0.082 0.000 1.010 87 G CA 0.152 45.286 45.100 0.056 0.000 0.736 87 G HN 0.968 nan 8.290 nan 0.000 0.513 88 A N -0.660 122.225 122.820 0.108 0.000 2.242 88 A HA 0.686 5.006 4.320 0.000 0.000 0.304 88 A C 0.525 178.234 177.584 0.209 0.000 1.100 88 A CA -0.429 51.709 52.037 0.168 0.000 0.860 88 A CB 0.392 19.494 19.000 0.169 0.000 1.168 88 A HN 0.589 nan 8.150 nan 0.000 0.503 89 H N 0.404 119.611 119.070 0.228 0.000 2.848 89 H HA 0.114 4.670 4.556 0.000 0.000 0.317 89 H C 0.679 176.137 175.328 0.217 0.000 1.046 89 H CA 0.663 56.861 56.048 0.250 0.000 1.470 89 H CB 0.871 30.801 29.762 0.280 0.000 1.483 89 H HN 0.643 nan 8.280 nan 0.000 0.548 90 K N 3.519 124.129 120.400 0.350 0.000 2.365 90 K HA -0.105 4.215 4.320 0.000 0.000 0.199 90 K C 1.602 178.461 176.600 0.431 0.000 1.045 90 K CA 0.624 57.174 56.287 0.439 0.000 0.962 90 K CB 0.362 33.144 32.500 0.469 0.000 0.759 90 K HN 0.406 nan 8.250 nan 0.000 0.469 91 K N 0.917 121.419 120.400 0.171 0.000 2.459 91 K HA 0.011 4.331 4.320 0.000 0.000 0.193 91 K C 0.962 177.575 176.600 0.022 0.000 1.030 91 K CA 0.377 56.414 56.287 -0.417 0.000 1.026 91 K CB 0.256 32.089 32.500 -1.112 0.000 0.809 91 K HN 0.015 nan 8.250 nan 0.000 0.504 92 N N 0.990 119.811 118.700 0.202 0.000 2.461 92 N HA -0.063 4.677 4.740 0.000 0.000 0.188 92 N C 0.046 175.816 175.510 0.433 0.000 1.134 92 N CA 0.623 53.823 53.050 0.249 0.000 0.878 92 N CB -0.003 38.683 38.487 0.331 0.000 0.972 92 N HN 0.320 nan 8.380 nan 0.000 0.456 93 T N -2.226 112.555 114.554 0.378 0.000 2.903 93 T HA 0.105 4.455 4.350 0.000 0.000 0.314 93 T C 1.836 176.746 174.700 0.350 0.000 1.078 93 T CA -0.559 61.736 62.100 0.324 0.000 1.114 93 T CB 1.093 70.098 68.868 0.229 0.000 0.987 93 T HN -0.186 nan 8.240 nan 0.000 0.548 94 V N 1.596 121.679 119.914 0.282 0.000 2.332 94 V HA -0.134 3.986 4.120 0.000 0.000 0.248 94 V C 2.963 179.140 176.094 0.138 0.000 1.055 94 V CA 1.934 64.385 62.300 0.252 0.000 1.038 94 V CB -0.915 30.981 31.823 0.122 0.000 0.651 94 V HN 0.878 nan 8.190 nan 0.000 0.450 95 E N -0.409 119.804 120.200 0.022 0.000 2.085 95 E HA -0.207 4.143 4.350 0.000 0.000 0.194 95 E C 2.112 178.648 176.600 -0.107 0.000 0.994 95 E CA 1.652 57.989 56.400 -0.105 0.000 0.801 95 E CB -0.284 29.247 29.700 -0.282 0.000 0.743 95 E HN 0.762 nan 8.360 nan 0.000 0.453 96 Y N 0.959 121.340 120.300 0.135 0.000 2.457 96 Y HA -0.002 4.548 4.550 0.000 0.000 0.292 96 Y C 2.350 178.279 175.900 0.049 0.000 1.125 96 Y CA 0.609 58.776 58.100 0.111 0.000 1.254 96 Y CB -0.112 38.421 38.460 0.122 0.000 1.012 96 Y HN 0.079 nan 8.280 nan 0.000 0.555 97 Q N 0.047 119.954 119.800 0.180 0.000 2.297 97 Q HA -0.124 4.216 4.340 0.000 0.000 0.204 97 Q C 1.648 177.718 176.000 0.117 0.000 0.962 97 Q CA 0.980 56.839 55.803 0.093 0.000 0.879 97 Q CB -0.047 28.682 28.738 -0.014 0.000 0.947 97 Q HN 0.478 nan 8.270 nan 0.000 0.462 98 K N 0.272 120.745 120.400 0.122 0.000 2.262 98 K HA 0.054 4.374 4.320 0.000 0.000 0.200 98 K C 0.490 177.147 176.600 0.096 0.000 1.049 98 K CA 0.447 56.790 56.287 0.094 0.000 0.979 98 K CB 0.466 33.008 32.500 0.069 0.000 0.773 98 K HN 0.077 nan 8.250 nan 0.000 0.474 99 N N 1.186 119.966 118.700 0.134 0.000 2.703 99 N HA 0.057 4.797 4.740 0.000 0.000 0.283 99 N C 0.236 175.895 175.510 0.250 0.000 1.851 99 N CA 0.045 53.191 53.050 0.159 0.000 0.826 99 N CB 1.033 39.598 38.487 0.129 0.000 1.239 99 N HN 0.061 nan 8.380 nan 0.000 0.495 100 I N 0.446 121.137 120.570 0.203 0.000 2.286 100 I HA -0.220 3.950 4.170 0.000 0.000 0.248 100 I C 0.816 177.065 176.117 0.220 0.000 1.115 100 I CA 1.685 63.105 61.300 0.200 0.000 1.392 100 I CB 0.306 38.379 38.000 0.121 0.000 1.065 100 I HN 0.096 nan 8.210 nan 0.000 0.418 101 D N 1.039 121.564 120.400 0.208 0.000 2.310 101 D HA -0.137 4.503 4.640 0.000 0.000 0.212 101 D C 1.935 178.337 176.300 0.169 0.000 0.965 101 D CA 0.573 54.690 54.000 0.196 0.000 0.879 101 D CB -0.075 40.871 40.800 0.243 0.000 0.921 101 D HN 0.325 nan 8.370 nan 0.000 0.510 102 K N 0.051 120.589 120.400 0.230 0.000 2.362 102 K HA -0.071 4.249 4.320 0.000 0.000 0.200 102 K C 1.692 178.400 176.600 0.180 0.000 1.046 102 K CA -0.033 56.394 56.287 0.234 0.000 0.952 102 K CB -0.361 32.344 32.500 0.341 0.000 0.753 102 K HN 0.199 nan 8.250 nan 0.000 0.466 103 F N 1.475 121.400 119.950 -0.041 0.000 2.333 103 F HA -0.183 4.344 4.527 0.000 0.000 0.300 103 F C 1.848 177.527 175.800 -0.202 0.000 1.083 103 F CA 0.658 58.454 58.000 -0.339 0.000 1.395 103 F CB -0.076 38.689 39.000 -0.392 0.000 1.056 103 F HN -0.286 nan 8.300 nan 0.000 0.529 104 V N 0.296 120.139 119.914 -0.119 0.000 2.469 104 V HA -0.355 3.765 4.120 0.000 0.000 0.251 104 V C 1.766 177.705 176.094 -0.258 0.000 1.064 104 V CA 2.315 64.501 62.300 -0.189 0.000 1.066 104 V CB -0.994 30.733 31.823 -0.159 0.000 0.667 104 V HN 0.377 nan 8.190 nan 0.000 0.461 105 N N -0.220 118.349 118.700 -0.218 0.000 2.244 105 N HA -0.111 4.629 4.740 0.000 0.000 0.183 105 N C 1.637 176.988 175.510 -0.265 0.000 1.016 105 N CA 1.066 54.007 53.050 -0.182 0.000 0.866 105 N CB -0.186 38.250 38.487 -0.084 0.000 0.980 105 N HN 0.329 nan 8.380 nan 0.000 0.430 106 V N 1.165 120.788 119.914 -0.485 0.000 2.307 106 V HA -0.189 3.931 4.120 0.000 0.000 0.245 106 V C 2.040 177.843 176.094 -0.484 0.000 1.045 106 V CA 1.372 63.333 62.300 -0.564 0.000 1.024 106 V CB -0.467 30.680 31.823 -1.126 0.000 0.651 106 V HN 0.295 nan 8.190 nan 0.000 0.449 107 I N -0.281 119.938 120.570 -0.585 0.000 2.163 107 I HA -0.344 3.826 4.170 0.000 0.000 0.243 107 I C 2.703 178.706 176.117 -0.190 0.000 1.085 107 I CA 1.833 62.941 61.300 -0.320 0.000 1.347 107 I CB -0.399 37.458 38.000 -0.238 0.000 1.044 107 I HN 0.357 nan 8.210 nan 0.000 0.408 108 Q N 0.293 119.981 119.800 -0.187 0.000 2.119 108 Q HA -0.114 4.226 4.340 0.000 0.000 0.201 108 Q C 2.334 178.277 176.000 -0.096 0.000 0.972 108 Q CA 1.393 57.121 55.803 -0.125 0.000 0.847 108 Q CB -0.388 28.273 28.738 -0.128 0.000 0.903 108 Q HN 0.643 nan 8.270 nan 0.000 0.433 109 G N 1.349 110.083 108.800 -0.110 0.000 2.479 109 G HA2 -0.267 3.693 3.960 0.000 0.000 0.220 109 G HA3 -0.267 3.693 3.960 0.000 0.000 0.220 109 G C 1.101 175.972 174.900 -0.047 0.000 1.115 109 G CA 0.938 45.995 45.100 -0.072 0.000 0.757 109 G HN 0.489 nan 8.290 nan 0.000 0.560 110 Q N -0.835 118.931 119.800 -0.056 0.000 2.171 110 Q HA 0.396 4.736 4.340 0.000 0.000 0.218 110 Q C 0.175 176.174 176.000 -0.001 0.000 0.822 110 Q CA -0.276 55.515 55.803 -0.020 0.000 0.987 110 Q CB 0.250 28.975 28.738 -0.021 0.000 1.144 110 Q HN 0.273 nan 8.270 nan 0.000 0.494 111 L N 2.175 123.391 121.223 -0.012 0.000 2.264 111 L HA 0.462 4.802 4.340 0.000 0.000 0.287 111 L C -0.844 176.035 176.870 0.016 0.000 1.039 111 L CA -0.686 54.157 54.840 0.005 0.000 0.829 111 L CB 1.059 43.110 42.059 -0.013 0.000 1.211 111 L HN 0.172 nan 8.230 nan 0.000 0.427 112 M N 2.276 121.903 119.600 0.045 0.000 2.129 112 M HA 0.260 4.740 4.480 0.000 0.000 0.348 112 M C 0.266 176.601 176.300 0.059 0.000 1.116 112 M CA 0.099 55.432 55.300 0.054 0.000 1.022 112 M CB 1.701 34.351 32.600 0.083 0.000 1.599 112 M HN 0.314 nan 8.290 nan 0.000 0.449 113 S N 1.765 117.488 115.700 0.039 0.000 2.552 113 S HA 0.077 4.547 4.470 0.000 0.000 0.289 113 S C 1.424 176.057 174.600 0.056 0.000 1.304 113 S CA -0.544 57.678 58.200 0.037 0.000 1.063 113 S CB 0.571 63.781 63.200 0.017 0.000 0.848 113 S HN 0.588 nan 8.310 nan 0.000 0.499 114 V N 2.512 122.471 119.914 0.074 0.000 2.323 114 V HA 0.019 4.139 4.120 0.000 0.000 0.244 114 V C 1.166 177.260 176.094 0.000 0.000 1.041 114 V CA 1.379 63.715 62.300 0.060 0.000 1.025 114 V CB 0.053 31.949 31.823 0.121 0.000 0.656 114 V HN 0.785 nan 8.190 nan 0.000 0.451 115 S N -0.489 115.229 115.700 0.031 0.000 2.736 115 S HA 0.552 5.022 4.470 0.000 0.000 0.285 115 S C -1.172 173.425 174.600 -0.004 0.000 1.163 115 S CA -0.480 57.700 58.200 -0.035 0.000 1.025 115 S CB 1.546 64.677 63.200 -0.115 0.000 1.030 115 S HN -0.000 nan 8.310 nan 0.000 0.486 116 V N 7.761 127.661 119.914 -0.022 0.000 2.384 116 V HA 0.579 4.699 4.120 0.000 0.000 0.287 116 V C -1.989 174.086 176.094 -0.032 0.000 1.020 116 V CA -1.808 60.479 62.300 -0.021 0.000 0.850 116 V CB 1.591 33.403 31.823 -0.019 0.000 0.987 116 V HN 0.731 nan 8.190 nan 0.000 0.436 117 P HA 0.195 nan 4.420 nan 0.000 0.274 117 P C -0.219 177.055 177.300 -0.044 0.000 1.246 117 P CA -0.176 62.902 63.100 -0.036 0.000 0.795 117 P CB 1.075 32.755 31.700 -0.034 0.000 1.006 118 V N 2.546 122.437 119.914 -0.039 0.000 2.617 118 V HA -0.051 4.069 4.120 0.000 0.000 0.304 118 V C 1.318 177.361 176.094 -0.086 0.000 1.040 118 V CA 0.246 62.518 62.300 -0.047 0.000 1.149 118 V CB -0.787 31.028 31.823 -0.015 0.000 0.914 118 V HN 0.628 nan 8.190 nan 0.000 0.487 119 N N 3.764 122.406 118.700 -0.098 0.000 2.497 119 N HA 0.093 4.833 4.740 0.000 0.000 0.271 119 N C 0.610 175.956 175.510 -0.272 0.000 1.142 119 N CA 0.426 53.393 53.050 -0.138 0.000 0.965 119 N CB 1.539 39.973 38.487 -0.088 0.000 1.077 119 N HN 0.869 nan 8.380 nan 0.000 0.462 120 T N 0.714 114.987 114.554 -0.469 0.000 3.252 120 T HA 0.268 4.618 4.350 0.000 0.000 0.286 120 T C 0.797 175.005 174.700 -0.820 0.000 1.013 120 T CA -0.436 60.965 62.100 -1.165 0.000 0.914 120 T CB -0.424 67.874 68.868 -0.951 0.000 1.131 120 T HN 0.273 nan 8.240 nan 0.000 0.529 121 L N 1.830 122.853 121.223 -0.334 0.000 2.490 121 L HA 0.334 4.674 4.340 0.000 0.000 0.274 121 L C 0.203 177.114 176.870 0.067 0.000 1.201 121 L CA -0.600 54.171 54.840 -0.115 0.000 0.869 121 L CB 0.676 42.705 42.059 -0.049 0.000 1.123 121 L HN 0.053 nan 8.230 nan 0.000 0.484 122 V N 4.596 124.572 119.914 0.102 0.000 2.406 122 V HA 0.194 4.314 4.120 0.000 0.000 0.272 122 V C 0.130 176.294 176.094 0.117 0.000 1.043 122 V CA -0.425 61.995 62.300 0.200 0.000 0.915 122 V CB 1.683 33.605 31.823 0.165 0.000 0.988 122 V HN 0.401 nan 8.190 nan 0.000 0.466 123 V N 5.616 125.600 119.914 0.116 0.000 2.328 123 V HA 0.350 4.470 4.120 0.000 0.000 0.278 123 V C 0.257 176.381 176.094 0.050 0.000 1.021 123 V CA -0.411 61.931 62.300 0.070 0.000 0.838 123 V CB 1.501 33.366 31.823 0.069 0.000 0.999 123 V HN 1.066 nan 8.190 nan 0.000 0.447 124 D N 2.141 122.564 120.400 0.038 0.000 2.501 124 D HA 0.004 4.644 4.640 0.000 0.000 0.224 124 D C 1.038 177.348 176.300 0.016 0.000 1.202 124 D CA 0.232 54.245 54.000 0.022 0.000 0.829 124 D CB 0.415 41.227 40.800 0.021 0.000 1.023 124 D HN 0.548 nan 8.370 nan 0.000 0.499 125 T N -1.528 113.038 114.554 0.021 0.000 3.266 125 T HA 0.364 4.714 4.350 0.000 0.000 0.278 125 T C 0.694 175.406 174.700 0.020 0.000 1.010 125 T CA -0.551 61.559 62.100 0.017 0.000 0.909 125 T CB -0.199 68.680 68.868 0.018 0.000 1.122 125 T HN 0.001 nan 8.240 nan 0.000 0.536 126 L N 1.537 122.773 121.223 0.022 0.000 2.472 126 L HA 0.387 4.727 4.340 0.000 0.000 0.260 126 L C 1.153 178.034 176.870 0.020 0.000 1.209 126 L CA -0.680 54.176 54.840 0.027 0.000 0.817 126 L CB 0.459 42.538 42.059 0.033 0.000 1.106 126 L HN 0.234 nan 8.230 nan 0.000 0.479 127 S N 0.689 116.403 115.700 0.024 0.000 2.572 127 S HA 0.126 4.596 4.470 0.000 0.000 0.279 127 S C -1.545 173.064 174.600 0.015 0.000 1.341 127 S CA -1.040 57.171 58.200 0.019 0.000 1.043 127 S CB 0.838 64.052 63.200 0.025 0.000 0.887 127 S HN 0.372 nan 8.310 nan 0.000 0.516 128 P HA -0.057 nan 4.420 nan 0.000 0.221 128 P C 1.269 178.572 177.300 0.005 0.000 1.145 128 P CA 1.177 64.276 63.100 -0.002 0.000 0.795 128 P CB -0.152 31.546 31.700 -0.003 0.000 0.775 129 T N -5.612 108.954 114.554 0.019 0.000 3.067 129 T HA 0.098 4.448 4.350 0.000 0.000 0.261 129 T C 1.007 175.741 174.700 0.056 0.000 1.110 129 T CA 0.052 62.171 62.100 0.031 0.000 1.113 129 T CB -0.568 68.320 68.868 0.032 0.000 0.917 129 T HN -0.103 nan 8.240 nan 0.000 0.499 130 S N 1.370 117.107 115.700 0.061 0.000 2.576 130 S HA 0.307 4.777 4.470 0.000 0.000 0.276 130 S C -0.550 174.138 174.600 0.146 0.000 1.339 130 S CA -1.005 57.260 58.200 0.108 0.000 1.039 130 S CB 0.228 63.486 63.200 0.096 0.000 0.902 130 S HN 0.607 nan 8.310 nan 0.000 0.516 131 W N 2.619 123.926 121.300 0.011 0.000 2.216 131 W HA 0.246 4.906 4.660 0.000 0.000 0.326 131 W C 0.105 176.636 176.519 0.020 0.000 1.319 131 W CA 0.112 57.463 57.345 0.009 0.000 1.213 131 W CB 0.300 29.765 29.460 0.008 0.000 1.171 131 W HN 0.485 nan 8.180 nan 0.000 0.557 132 Q N 4.049 123.486 119.800 -0.605 0.000 2.331 132 Q HA 0.539 4.879 4.340 0.000 0.000 0.272 132 Q C -0.558 174.662 176.000 -1.300 0.000 1.062 132 Q CA -0.873 54.566 55.803 -0.605 0.000 0.806 132 Q CB 2.131 30.686 28.738 -0.304 0.000 1.312 132 Q HN 0.623 nan 8.270 nan 0.000 0.431 133 A N 1.217 123.459 122.820 -0.962 0.000 2.313 133 A HA 0.281 4.601 4.320 0.000 0.000 0.261 133 A C 0.577 177.969 177.584 -0.321 0.000 1.090 133 A CA -0.116 51.586 52.037 -0.559 0.000 0.807 133 A CB 0.572 19.574 19.000 0.004 0.000 1.055 133 A HN 0.788 nan 8.150 nan 0.000 0.492 134 S N -0.488 115.062 115.700 -0.249 0.000 2.593 134 S HA 0.140 4.610 4.470 0.000 0.000 0.217 134 S C 0.682 175.168 174.600 -0.190 0.000 0.966 134 S CA 0.713 58.790 58.200 -0.206 0.000 0.914 134 S CB -0.438 62.667 63.200 -0.157 0.000 0.776 134 S HN 1.104 nan 8.310 nan 0.000 0.523 135 T N -1.672 112.802 114.554 -0.133 0.000 2.865 135 T HA 0.633 4.983 4.350 0.000 0.000 0.294 135 T C -0.876 173.756 174.700 -0.113 0.000 1.119 135 T CA -0.765 61.262 62.100 -0.121 0.000 1.007 135 T CB 0.699 69.606 68.868 0.064 0.000 1.225 135 T HN -0.094 nan 8.240 nan 0.000 0.515 136 F N 3.031 123.047 119.950 0.110 0.000 2.605 136 F HA 0.389 4.916 4.527 0.000 0.000 0.352 136 F C 0.425 176.244 175.800 0.032 0.000 1.236 136 F CA -1.879 56.135 58.000 0.024 0.000 1.267 136 F CB -0.954 38.043 39.000 -0.004 0.000 1.632 136 F HN 0.559 nan 8.300 nan 0.000 0.639 137 F N -0.825 119.221 119.950 0.159 0.000 2.399 137 F HA 0.556 5.083 4.527 0.000 0.000 0.313 137 F C -0.021 175.851 175.800 0.119 0.000 1.202 137 F CA -1.593 56.481 58.000 0.122 0.000 1.192 137 F CB -0.180 38.883 39.000 0.104 0.000 1.256 137 F HN -0.179 nan 8.300 nan 0.000 0.558 138 V N 2.744 122.793 119.914 0.226 0.000 2.421 138 V HA 0.283 4.403 4.120 0.000 0.000 0.271 138 V C 0.185 176.312 176.094 0.055 0.000 1.031 138 V CA -0.032 62.324 62.300 0.094 0.000 1.032 138 V CB -0.585 31.316 31.823 0.130 0.000 1.009 138 V HN 0.729 nan 8.190 nan 0.000 0.477 139 R N 3.802 124.232 120.500 -0.116 0.000 2.725 139 R HA 0.427 4.767 4.340 0.000 0.000 0.277 139 R C -0.107 176.151 176.300 -0.070 0.000 0.987 139 R CA -0.880 55.111 56.100 -0.181 0.000 0.901 139 R CB 1.440 31.470 30.300 -0.449 0.000 1.207 139 R HN 0.716 nan 8.270 nan 0.000 0.463 140 N N 0.878 119.563 118.700 -0.025 0.000 2.735 140 N HA -0.185 4.555 4.740 0.000 0.000 0.248 140 N C 0.506 176.008 175.510 -0.013 0.000 1.083 140 N CA 1.498 54.537 53.050 -0.018 0.000 0.703 140 N CB -1.207 37.261 38.487 -0.032 0.000 1.005 140 N HN 1.077 nan 8.380 nan 0.000 0.550 141 G N -1.699 107.100 108.800 -0.002 0.000 2.189 141 G HA2 -0.351 3.609 3.960 0.000 0.000 0.267 141 G HA3 -0.351 3.609 3.960 0.000 0.000 0.267 141 G C 0.321 175.218 174.900 -0.005 0.000 0.975 141 G CA 1.133 46.233 45.100 0.000 0.000 0.644 141 G HN 1.412 nan 8.290 nan 0.000 0.537 142 S N -0.483 115.207 115.700 -0.015 0.000 2.579 142 S HA 0.429 4.899 4.470 0.000 0.000 0.275 142 S C 0.168 174.759 174.600 -0.015 0.000 1.345 142 S CA 0.111 58.298 58.200 -0.022 0.000 1.031 142 S CB 1.655 64.834 63.200 -0.036 0.000 0.892 142 S HN 0.625 nan 8.310 nan 0.000 0.529 143 N N 2.353 121.036 118.700 -0.028 0.000 2.462 143 N HA 0.351 5.091 4.740 0.000 0.000 0.242 143 N C -1.598 173.896 175.510 -0.026 0.000 1.010 143 N CA -2.538 50.489 53.050 -0.039 0.000 0.939 143 N CB 1.156 39.591 38.487 -0.085 0.000 1.127 143 N HN 0.389 nan 8.380 nan 0.000 0.509 144 P HA -0.049 nan 4.420 nan 0.000 0.233 144 P C 0.369 177.691 177.300 0.036 0.000 1.167 144 P CA 0.783 63.899 63.100 0.027 0.000 0.770 144 P CB 0.567 32.298 31.700 0.052 0.000 0.837 145 E N -0.095 120.115 120.200 0.017 0.000 2.204 145 E HA -0.121 4.229 4.350 0.000 0.000 0.194 145 E C 0.938 177.543 176.600 0.008 0.000 0.989 145 E CA 0.754 57.180 56.400 0.044 0.000 0.824 145 E CB -0.204 29.465 29.700 -0.051 0.000 0.756 145 E HN 0.297 nan 8.360 nan 0.000 0.477 146 Q N 2.220 121.989 119.800 -0.052 0.000 2.314 146 Q HA 0.033 4.373 4.340 0.000 0.000 0.257 146 Q C -0.881 175.120 176.000 0.002 0.000 0.975 146 Q CA -0.175 55.593 55.803 -0.058 0.000 0.933 146 Q CB 0.718 29.412 28.738 -0.073 0.000 1.195 146 Q HN -0.172 nan 8.270 nan 0.000 0.426 147 D N 5.930 126.351 120.400 0.035 0.000 2.371 147 D HA 0.044 4.684 4.640 0.000 0.000 0.256 147 D C -1.678 174.633 176.300 0.019 0.000 1.193 147 D CA -1.760 52.261 54.000 0.037 0.000 0.881 147 D CB 1.285 42.120 40.800 0.059 0.000 1.143 147 D HN 0.424 nan 8.370 nan 0.000 0.473 148 P HA -0.079 nan 4.420 nan 0.000 0.223 148 P C 1.287 178.586 177.300 -0.002 0.000 1.151 148 P CA 0.675 63.770 63.100 -0.009 0.000 0.787 148 P CB 0.343 32.026 31.700 -0.027 0.000 0.788 149 L N -1.237 119.989 121.223 0.005 0.000 2.592 149 L HA 0.168 4.508 4.340 0.000 0.000 0.227 149 L C 1.469 178.350 176.870 0.019 0.000 1.127 149 L CA 0.288 55.133 54.840 0.007 0.000 0.884 149 L CB -0.212 41.849 42.059 0.002 0.000 1.065 149 L HN -0.154 nan 8.230 nan 0.000 0.457 150 R N -0.012 120.508 120.500 0.033 0.000 2.734 150 R HA 0.216 4.556 4.340 0.000 0.000 0.395 150 R C -0.451 175.899 176.300 0.083 0.000 1.096 150 R CA -0.262 55.870 56.100 0.054 0.000 1.071 150 R CB 0.356 30.691 30.300 0.058 0.000 1.348 150 R HN 0.048 nan 8.270 nan 0.000 0.600 151 N N 0.546 119.272 118.700 0.045 0.000 2.471 151 N HA 0.379 5.119 4.740 0.000 0.000 0.288 151 N C -0.706 174.719 175.510 -0.142 0.000 1.220 151 N CA -0.650 52.411 53.050 0.018 0.000 0.893 151 N CB 1.263 39.756 38.487 0.010 0.000 1.256 151 N HN 0.095 nan 8.380 nan 0.000 0.534 152 L N 2.106 123.103 121.223 -0.376 0.000 2.494 152 L HA 0.214 4.554 4.340 0.000 0.000 0.251 152 L C 1.380 178.073 176.870 -0.296 0.000 1.119 152 L CA -0.272 54.216 54.840 -0.588 0.000 1.026 152 L CB 0.399 41.697 42.059 -1.269 0.000 1.370 152 L HN 0.630 nan 8.230 nan 0.000 0.426 153 S N -0.364 115.251 115.700 -0.143 0.000 2.423 153 S HA -0.116 4.354 4.470 0.000 0.000 0.231 153 S C 1.883 176.443 174.600 -0.065 0.000 1.014 153 S CA 0.910 59.071 58.200 -0.064 0.000 0.965 153 S CB -0.226 62.949 63.200 -0.041 0.000 0.785 153 S HN 0.634 nan 8.310 nan 0.000 0.495 154 G N 0.777 109.522 108.800 -0.092 0.000 2.598 154 G HA2 0.009 3.969 3.960 0.000 0.000 0.215 154 G HA3 0.009 3.969 3.960 0.000 0.000 0.215 154 G C 0.663 175.521 174.900 -0.070 0.000 1.131 154 G CA -0.078 44.977 45.100 -0.075 0.000 0.785 154 G HN 0.372 nan 8.290 nan 0.000 0.539 155 Q N 0.399 120.138 119.800 -0.101 0.000 2.364 155 Q HA 0.533 4.873 4.340 0.000 0.000 0.267 155 Q C -0.117 175.900 176.000 0.029 0.000 0.999 155 Q CA 0.307 56.078 55.803 -0.054 0.000 0.886 155 Q CB 1.425 30.115 28.738 -0.081 0.000 1.243 155 Q HN 0.283 nan 8.270 nan 0.000 0.415 156 A N 1.689 124.534 122.820 0.041 0.000 2.610 156 A HA 0.700 5.020 4.320 0.000 0.000 0.291 156 A C -1.164 176.459 177.584 0.065 0.000 1.086 156 A CA -0.492 51.576 52.037 0.052 0.000 0.677 156 A CB 1.206 20.222 19.000 0.028 0.000 1.278 156 A HN 0.477 nan 8.150 nan 0.000 0.414 157 V N -1.979 117.987 119.914 0.087 0.000 2.914 157 V HA 0.936 5.056 4.120 0.000 0.000 0.314 157 V C -0.379 175.779 176.094 0.107 0.000 1.084 157 V CA -0.525 61.843 62.300 0.113 0.000 0.963 157 V CB 1.569 33.508 31.823 0.194 0.000 1.025 157 V HN 0.903 nan 8.190 nan 0.000 0.432 158 T N 2.894 117.505 114.554 0.096 0.000 2.797 158 T HA 0.591 4.941 4.350 0.000 0.000 0.279 158 T C -0.262 174.473 174.700 0.058 0.000 0.991 158 T CA -0.492 61.648 62.100 0.066 0.000 0.979 158 T CB 1.078 69.973 68.868 0.045 0.000 0.943 158 T HN 0.759 nan 8.240 nan 0.000 0.444 159 R N 2.644 123.168 120.500 0.040 0.000 2.402 159 R HA 0.569 4.909 4.340 0.000 0.000 0.290 159 R C -0.904 175.406 176.300 0.017 0.000 1.321 159 R CA -0.535 55.568 56.100 0.005 0.000 1.283 159 R CB 0.844 31.127 30.300 -0.027 0.000 1.111 159 R HN 0.508 nan 8.270 nan 0.000 0.578 160 V N -1.828 118.097 119.914 0.018 0.000 3.120 160 V HA 0.453 4.573 4.120 0.000 0.000 0.303 160 V C -0.120 175.989 176.094 0.024 0.000 1.238 160 V CA -1.105 61.210 62.300 0.025 0.000 1.008 160 V CB 2.011 33.852 31.823 0.029 0.000 1.064 160 V HN 0.101 nan 8.190 nan 0.000 0.434 161 V N 3.307 123.239 119.914 0.030 0.000 2.585 161 V HA 0.524 4.644 4.120 0.000 0.000 0.296 161 V C 1.724 177.838 176.094 0.034 0.000 1.035 161 V CA 1.916 64.237 62.300 0.035 0.000 1.084 161 V CB 0.194 32.039 31.823 0.038 0.000 0.953 161 V HN 2.110 nan 8.190 nan 0.000 0.483 162 G N 3.287 112.105 108.800 0.031 0.000 2.217 162 G HA2 -0.032 3.928 3.960 0.000 0.000 0.246 162 G HA3 -0.032 3.928 3.960 0.000 0.000 0.246 162 G C 1.024 175.917 174.900 -0.011 0.000 0.990 162 G CA 0.325 45.435 45.100 0.018 0.000 0.627 162 G HN 2.119 nan 8.290 nan 0.000 0.522 163 G N 0.086 108.887 108.800 0.001 0.000 2.594 163 G HA2 -0.276 3.684 3.960 0.000 0.000 0.297 163 G HA3 -0.276 3.684 3.960 0.000 0.000 0.297 163 G C 1.148 176.038 174.900 -0.018 0.000 1.273 163 G CA 1.330 46.429 45.100 -0.002 0.000 0.974 163 G HN 1.127 nan 8.290 nan 0.000 0.552 164 M N 1.591 121.176 119.600 -0.025 0.000 2.557 164 M HA 0.020 4.500 4.480 0.000 0.000 0.259 164 M C 2.671 178.926 176.300 -0.075 0.000 1.086 164 M CA 1.665 56.959 55.300 -0.010 0.000 1.096 164 M CB -0.116 32.506 32.600 0.036 0.000 1.424 164 M HN 0.699 nan 8.290 nan 0.000 0.488 165 S N -0.661 114.902 115.700 -0.229 0.000 2.603 165 S HA -0.066 4.404 4.470 0.000 0.000 0.229 165 S C 1.708 176.216 174.600 -0.154 0.000 0.972 165 S CA 1.103 59.011 58.200 -0.485 0.000 0.935 165 S CB -0.931 61.921 63.200 -0.579 0.000 0.769 165 S HN 0.574 nan 8.310 nan 0.000 0.536 166 T N -2.173 112.323 114.554 -0.097 0.000 3.035 166 T HA 0.401 4.751 4.350 0.000 0.000 0.268 166 T C 1.310 175.848 174.700 -0.271 0.000 1.109 166 T CA 0.625 62.654 62.100 -0.118 0.000 1.119 166 T CB -0.131 68.734 68.868 -0.006 0.000 0.900 166 T HN 0.587 nan 8.240 nan 0.000 0.503 167 A N 0.022 122.782 122.820 -0.100 0.000 2.600 167 A HA 0.432 4.752 4.320 0.000 0.000 0.252 167 A C 0.597 178.388 177.584 0.345 0.000 1.200 167 A CA -0.737 51.390 52.037 0.151 0.000 0.981 167 A CB -0.109 18.980 19.000 0.148 0.000 1.207 167 A HN 0.631 nan 8.150 nan 0.000 0.577 168 W N 0.124 121.435 121.300 0.019 0.000 2.034 168 W HA 0.384 5.044 4.660 0.000 0.000 0.357 168 W C 0.061 176.662 176.519 0.136 0.000 1.326 168 W CA 0.702 58.112 57.345 0.109 0.000 1.318 168 W CB -0.854 28.650 29.460 0.074 0.000 1.193 168 W HN -0.035 nan 8.180 nan 0.000 0.620 169 T N 0.922 115.431 114.554 -0.076 0.000 3.085 169 T HA -0.019 4.331 4.350 0.000 0.000 0.263 169 T C 1.036 175.278 174.700 -0.763 0.000 1.127 169 T CA 1.163 63.036 62.100 -0.379 0.000 1.103 169 T CB -0.550 68.253 68.868 -0.109 0.000 0.921 169 T HN 0.670 nan 8.240 nan 0.000 0.510 170 C N 0.957 119.391 119.300 -1.443 0.000 4.465 170 C HA -0.109 4.351 4.460 0.000 0.000 0.274 170 C C 1.097 175.579 174.990 -0.846 0.000 1.337 170 C CA -0.659 57.300 59.018 -1.764 0.000 1.822 170 C CB -2.665 24.592 27.740 -0.804 0.000 1.357 170 C HN 0.766 nan 8.230 nan 0.000 0.753 171 A N 1.071 123.580 122.820 -0.518 0.000 2.347 171 A HA 0.580 4.900 4.320 0.000 0.000 0.287 171 A C 0.743 178.215 177.584 -0.188 0.000 1.199 171 A CA 0.984 52.878 52.037 -0.239 0.000 0.851 171 A CB 0.195 19.121 19.000 -0.124 0.000 1.118 171 A HN 1.266 nan 8.150 nan 0.000 0.525 172 T N 1.706 116.175 114.554 -0.141 0.000 3.466 172 T HA 0.495 4.845 4.350 0.000 0.000 0.297 172 T C -2.669 171.975 174.700 -0.093 0.000 1.640 172 T CA -1.573 60.487 62.100 -0.067 0.000 1.631 172 T CB 0.399 69.269 68.868 0.003 0.000 0.928 172 T HN 0.447 nan 8.240 nan 0.000 0.688 173 P HA 0.320 nan 4.420 nan 0.000 0.274 173 P C -0.096 177.058 177.300 -0.244 0.000 1.237 173 P CA -0.590 62.400 63.100 -0.184 0.000 0.793 173 P CB 1.083 32.633 31.700 -0.250 0.000 0.977 174 R N 0.700 120.974 120.500 -0.378 0.000 2.531 174 R HA 0.365 4.705 4.340 0.000 0.000 0.273 174 R C 0.103 176.300 176.300 -0.172 0.000 1.070 174 R CA -0.489 55.188 56.100 -0.705 0.000 1.112 174 R CB 0.163 29.933 30.300 -0.882 0.000 1.049 174 R HN 0.371 nan 8.270 nan 0.000 0.508 175 F N 2.049 121.785 119.950 -0.358 0.000 2.443 175 F HA 0.013 4.540 4.527 0.000 0.000 0.353 175 F C 1.058 176.682 175.800 -0.293 0.000 1.101 175 F CA -1.309 56.503 58.000 -0.313 0.000 1.226 175 F CB 0.082 38.884 39.000 -0.330 0.000 1.140 175 F HN 0.535 nan 8.300 nan 0.000 0.557 176 D N 2.381 122.716 120.400 -0.109 0.000 2.398 176 D HA 0.105 4.745 4.640 0.000 0.000 0.247 176 D C 1.137 177.354 176.300 -0.138 0.000 1.227 176 D CA -0.430 53.503 54.000 -0.111 0.000 0.980 176 D CB 0.513 41.264 40.800 -0.082 0.000 1.106 176 D HN 0.471 nan 8.370 nan 0.000 0.493 177 R N -0.397 120.048 120.500 -0.093 0.000 2.103 177 R HA -0.174 4.166 4.340 0.000 0.000 0.242 177 R C 1.985 178.233 176.300 -0.087 0.000 1.142 177 R CA 1.614 57.666 56.100 -0.080 0.000 0.960 177 R CB -0.166 30.120 30.300 -0.023 0.000 0.858 177 R HN 0.628 nan 8.270 nan 0.000 0.439 178 E N 0.286 120.431 120.200 -0.091 0.000 2.209 178 E HA -0.219 4.131 4.350 0.000 0.000 0.196 178 E C 1.436 177.927 176.600 -0.181 0.000 0.993 178 E CA 1.171 57.522 56.400 -0.082 0.000 0.819 178 E CB 0.144 29.850 29.700 0.010 0.000 0.745 178 E HN 0.480 nan 8.360 nan 0.000 0.477 179 Q N -0.442 119.150 119.800 -0.346 0.000 2.319 179 Q HA 0.124 4.464 4.340 0.000 0.000 0.202 179 Q C 0.435 176.324 176.000 -0.184 0.000 0.896 179 Q CA -0.073 55.463 55.803 -0.446 0.000 0.942 179 Q CB 0.681 28.834 28.738 -0.975 0.000 1.083 179 Q HN -0.072 nan 8.270 nan 0.000 0.510 180 R N 1.713 122.157 120.500 -0.094 0.000 2.637 180 R HA 0.369 4.709 4.340 0.000 0.000 0.291 180 R C -2.760 173.522 176.300 -0.030 0.000 0.963 180 R CA -2.117 53.935 56.100 -0.080 0.000 0.901 180 R CB 1.293 31.384 30.300 -0.350 0.000 1.160 180 R HN -0.158 nan 8.270 nan 0.000 0.457 181 P HA 0.110 nan 4.420 nan 0.000 0.275 181 P C -0.700 176.769 177.300 0.282 0.000 1.228 181 P CA -0.254 62.937 63.100 0.151 0.000 0.786 181 P CB 0.611 32.410 31.700 0.166 0.000 0.927 182 L N 2.756 124.118 121.223 0.230 0.000 2.416 182 L HA 0.136 4.476 4.340 0.000 0.000 0.272 182 L C 1.585 178.631 176.870 0.294 0.000 1.161 182 L CA 0.000 55.044 54.840 0.340 0.000 0.845 182 L CB 0.149 42.454 42.059 0.409 0.000 1.119 182 L HN 0.373 nan 8.230 nan 0.000 0.464 183 L N 3.503 124.922 121.223 0.328 0.000 2.515 183 L HA 0.203 4.543 4.340 0.000 0.000 0.223 183 L C -0.234 176.798 176.870 0.269 0.000 1.079 183 L CA 0.183 55.096 54.840 0.122 0.000 0.857 183 L CB 0.708 42.616 42.059 -0.251 0.000 1.050 183 L HN 0.329 nan 8.230 nan 0.000 0.476 184 V N 0.545 120.630 119.914 0.285 0.000 2.531 184 V HA 0.242 4.362 4.120 0.000 0.000 0.301 184 V C -0.256 175.918 176.094 0.133 0.000 1.034 184 V CA -1.132 61.275 62.300 0.178 0.000 0.865 184 V CB 1.715 33.593 31.823 0.092 0.000 0.995 184 V HN 0.105 nan 8.190 nan 0.000 0.424 185 K N 2.925 123.269 120.400 -0.093 0.000 2.382 185 K HA 0.159 4.479 4.320 0.000 0.000 0.275 185 K C 0.247 176.803 176.600 -0.072 0.000 1.009 185 K CA -0.096 56.061 56.287 -0.216 0.000 0.970 185 K CB 0.175 32.385 32.500 -0.484 0.000 0.934 185 K HN 0.777 nan 8.250 nan 0.000 0.479 186 D N 2.165 122.545 120.400 -0.032 0.000 2.706 186 D HA -0.216 4.424 4.640 0.000 0.000 0.230 186 D C -0.575 175.730 176.300 0.009 0.000 1.184 186 D CA 1.169 55.166 54.000 -0.005 0.000 0.628 186 D CB -0.589 40.197 40.800 -0.023 0.000 1.019 186 D HN 0.551 nan 8.370 nan 0.000 0.415 187 D N -1.235 119.184 120.400 0.032 0.000 2.351 187 D HA 0.366 5.006 4.640 0.000 0.000 0.235 187 D C 0.672 177.008 176.300 0.060 0.000 1.331 187 D CA -0.021 54.001 54.000 0.037 0.000 0.959 187 D CB 0.735 41.551 40.800 0.026 0.000 1.432 187 D HN 0.003 nan 8.370 nan 0.000 0.544 188 A N 2.725 125.581 122.820 0.059 0.000 1.930 188 A HA -0.122 4.198 4.320 0.000 0.000 0.217 188 A C 1.606 179.238 177.584 0.080 0.000 1.175 188 A CA 1.281 53.363 52.037 0.075 0.000 0.627 188 A CB -0.020 19.016 19.000 0.061 0.000 0.815 188 A HN 0.483 nan 8.150 nan 0.000 0.443 189 D N 0.171 120.608 120.400 0.062 0.000 2.144 189 D HA -0.027 4.613 4.640 0.000 0.000 0.200 189 D C 2.134 178.473 176.300 0.065 0.000 0.978 189 D CA 1.433 55.468 54.000 0.059 0.000 0.833 189 D CB -0.316 40.510 40.800 0.043 0.000 0.961 189 D HN 0.444 nan 8.370 nan 0.000 0.470 190 A N 0.741 123.596 122.820 0.059 0.000 1.970 190 A HA -0.148 4.172 4.320 0.000 0.000 0.216 190 A C 1.925 179.553 177.584 0.074 0.000 1.170 190 A CA 1.624 53.692 52.037 0.052 0.000 0.645 190 A CB -0.397 18.626 19.000 0.037 0.000 0.816 190 A HN 0.139 nan 8.150 nan 0.000 0.447 191 D N 0.031 120.499 120.400 0.113 0.000 2.084 191 D HA -0.169 4.471 4.640 0.000 0.000 0.194 191 D C 1.245 177.703 176.300 0.264 0.000 0.990 191 D CA 1.609 55.722 54.000 0.188 0.000 0.826 191 D CB -0.140 40.797 40.800 0.229 0.000 0.971 191 D HN 0.309 nan 8.370 nan 0.000 0.453 192 D N -0.153 120.374 120.400 0.213 0.000 2.149 192 D HA -0.185 4.455 4.640 0.000 0.000 0.194 192 D C 1.954 178.367 176.300 0.188 0.000 1.001 192 D CA 1.607 55.733 54.000 0.209 0.000 0.849 192 D CB -0.595 40.283 40.800 0.131 0.000 0.939 192 D HN 0.353 nan 8.370 nan 0.000 0.449 193 A N 0.432 123.322 122.820 0.117 0.000 1.898 193 A HA -0.175 4.145 4.320 0.000 0.000 0.216 193 A C 2.143 179.757 177.584 0.050 0.000 1.181 193 A CA 1.780 53.863 52.037 0.076 0.000 0.620 193 A CB -0.480 18.546 19.000 0.044 0.000 0.819 193 A HN 0.148 nan 8.150 nan 0.000 0.442 194 E N -0.743 119.464 120.200 0.011 0.000 2.047 194 E HA -0.186 4.164 4.350 0.000 0.000 0.191 194 E C 1.675 178.168 176.600 -0.179 0.000 0.987 194 E CA 1.487 57.820 56.400 -0.113 0.000 0.799 194 E CB -0.473 29.122 29.700 -0.175 0.000 0.752 194 E HN 0.721 nan 8.360 nan 0.000 0.449 195 W N 0.706 121.968 121.300 -0.064 0.000 2.358 195 W HA -0.114 4.546 4.660 0.000 0.000 0.303 195 W C 2.165 178.670 176.519 -0.024 0.000 1.208 195 W CA 1.229 58.497 57.345 -0.129 0.000 1.274 195 W CB -0.360 29.070 29.460 -0.050 0.000 1.138 195 W HN 0.229 nan 8.180 nan 0.000 0.515 196 D N 0.026 120.600 120.400 0.290 0.000 2.144 196 D HA -0.207 4.433 4.640 0.000 0.000 0.199 196 D C 2.144 178.519 176.300 0.124 0.000 0.984 196 D CA 1.401 55.539 54.000 0.231 0.000 0.834 196 D CB -0.225 40.669 40.800 0.156 0.000 0.955 196 D HN -0.020 nan 8.370 nan 0.000 0.465 197 R N -0.243 120.281 120.500 0.041 0.000 2.073 197 R HA -0.090 4.250 4.340 0.000 0.000 0.234 197 R C 2.408 178.666 176.300 -0.071 0.000 1.134 197 R CA 1.154 57.240 56.100 -0.024 0.000 0.952 197 R CB -0.298 29.968 30.300 -0.057 0.000 0.850 197 R HN 0.266 nan 8.270 nan 0.000 0.433 198 L N -0.564 120.578 121.223 -0.134 0.000 2.027 198 L HA -0.163 4.177 4.340 0.000 0.000 0.206 198 L C 2.377 179.172 176.870 -0.125 0.000 1.074 198 L CA 1.137 55.842 54.840 -0.224 0.000 0.745 198 L CB -0.672 41.136 42.059 -0.419 0.000 0.898 198 L HN 0.181 nan 8.230 nan 0.000 0.433 199 Y N 0.425 120.727 120.300 0.003 0.000 2.207 199 Y HA -0.258 4.292 4.550 0.000 0.000 0.287 199 Y C 2.882 178.759 175.900 -0.038 0.000 1.156 199 Y CA 1.650 59.758 58.100 0.012 0.000 1.182 199 Y CB -1.139 37.360 38.460 0.066 0.000 0.979 199 Y HN 0.137 nan 8.280 nan 0.000 0.521 200 T N -0.462 114.165 114.554 0.122 0.000 2.777 200 T HA -0.176 4.174 4.350 0.000 0.000 0.266 200 T C 1.992 176.663 174.700 -0.049 0.000 1.040 200 T CA 1.469 63.594 62.100 0.042 0.000 1.141 200 T CB -0.136 68.750 68.868 0.028 0.000 0.868 200 T HN 0.229 nan 8.240 nan 0.000 0.444 201 K N 0.876 121.190 120.400 -0.142 0.000 2.026 201 K HA -0.041 4.279 4.320 0.000 0.000 0.208 201 K C 2.545 178.809 176.600 -0.559 0.000 1.048 201 K CA 1.201 57.279 56.287 -0.348 0.000 0.929 201 K CB -0.314 31.940 32.500 -0.411 0.000 0.713 201 K HN 0.263 nan 8.250 nan 0.000 0.439 202 A N 1.372 123.968 122.820 -0.374 0.000 1.908 202 A HA -0.238 4.082 4.320 0.000 0.000 0.218 202 A C 1.839 179.420 177.584 -0.004 0.000 1.181 202 A CA 1.971 53.865 52.037 -0.238 0.000 0.627 202 A CB -0.545 18.433 19.000 -0.036 0.000 0.818 202 A HN 0.481 nan 8.150 nan 0.000 0.445 203 E N 0.087 120.332 120.200 0.075 0.000 2.106 203 E HA -0.145 4.205 4.350 0.000 0.000 0.192 203 E C 2.371 179.056 176.600 0.141 0.000 0.984 203 E CA 1.370 57.861 56.400 0.153 0.000 0.806 203 E CB -0.189 29.574 29.700 0.104 0.000 0.750 203 E HN 0.822 nan 8.360 nan 0.000 0.458 204 S N 0.255 115.989 115.700 0.057 0.000 2.368 204 S HA -0.192 4.278 4.470 0.000 0.000 0.224 204 S C 1.919 176.667 174.600 0.246 0.000 1.029 204 S CA 0.737 59.003 58.200 0.110 0.000 0.988 204 S CB -0.500 62.742 63.200 0.070 0.000 0.838 204 S HN 0.198 nan 8.310 nan 0.000 0.462 205 Y N 0.755 121.063 120.300 0.013 0.000 2.165 205 Y HA 0.031 4.581 4.550 0.000 0.000 0.286 205 Y C 2.138 178.066 175.900 0.047 0.000 1.155 205 Y CA 0.138 58.211 58.100 -0.046 0.000 1.164 205 Y CB -1.226 37.113 38.460 -0.202 0.000 0.978 205 Y HN 0.306 nan 8.280 nan 0.000 0.513 206 F N 0.103 120.214 119.950 0.268 0.000 2.789 206 F HA 0.044 4.571 4.527 0.000 0.000 0.300 206 F C 0.797 176.716 175.800 0.198 0.000 1.132 206 F CA 0.169 58.319 58.000 0.250 0.000 1.404 206 F CB -0.331 38.838 39.000 0.282 0.000 1.114 206 F HN 0.012 nan 8.300 nan 0.000 0.584 207 Q N 0.554 120.557 119.800 0.338 0.000 2.470 207 Q HA -0.185 4.155 4.340 0.000 0.000 0.294 207 Q C -0.007 176.090 176.000 0.162 0.000 1.356 207 Q CA 0.664 56.588 55.803 0.203 0.000 0.805 207 Q CB -2.537 26.297 28.738 0.160 0.000 1.157 207 Q HN 0.197 nan 8.270 nan 0.000 0.431 208 T N -0.091 114.569 114.554 0.177 0.000 2.884 208 T HA 0.546 4.896 4.350 0.000 0.000 0.298 208 T C 0.716 175.453 174.700 0.062 0.000 0.998 208 T CA 0.461 62.629 62.100 0.114 0.000 1.124 208 T CB 1.432 70.377 68.868 0.128 0.000 0.931 208 T HN 0.469 nan 8.240 nan 0.000 0.531 209 G N 0.618 109.438 108.800 0.033 0.000 2.694 209 G HA2 0.557 4.517 3.960 0.000 0.000 0.290 209 G HA3 0.557 4.517 3.960 0.000 0.000 0.290 209 G C 0.037 174.948 174.900 0.019 0.000 1.386 209 G CA -0.721 44.389 45.100 0.017 0.000 0.872 209 G HN 0.617 nan 8.290 nan 0.000 0.475 210 T N -2.352 112.212 114.554 0.017 0.000 3.339 210 T HA 0.276 4.626 4.350 0.000 0.000 0.292 210 T C 0.047 174.762 174.700 0.025 0.000 1.012 210 T CA 0.341 62.459 62.100 0.031 0.000 0.937 210 T CB 0.394 69.285 68.868 0.038 0.000 1.164 210 T HN 0.478 nan 8.240 nan 0.000 0.509 211 D N 0.166 120.563 120.400 -0.004 0.000 2.500 211 D HA 0.059 4.699 4.640 0.000 0.000 0.217 211 D C 1.371 177.609 176.300 -0.105 0.000 1.159 211 D CA -0.056 53.920 54.000 -0.041 0.000 0.828 211 D CB -0.135 40.636 40.800 -0.048 0.000 1.039 211 D HN 0.265 nan 8.370 nan 0.000 0.512 212 Q N -0.423 119.313 119.800 -0.106 0.000 2.436 212 Q HA 0.156 4.496 4.340 0.000 0.000 0.209 212 Q C 0.227 175.852 176.000 -0.625 0.000 0.965 212 Q CA 0.852 56.458 55.803 -0.327 0.000 0.910 212 Q CB -0.279 28.244 28.738 -0.358 0.000 0.980 212 Q HN 0.300 nan 8.270 nan 0.000 0.491 213 F N -0.206 119.577 119.950 -0.278 0.000 2.698 213 F HA 0.232 4.759 4.527 0.000 0.000 0.304 213 F C 1.198 176.792 175.800 -0.344 0.000 1.108 213 F CA -0.587 57.204 58.000 -0.348 0.000 1.263 213 F CB 0.322 39.032 39.000 -0.483 0.000 1.013 213 F HN -0.006 nan 8.300 nan 0.000 0.532 214 K N 0.488 120.785 120.400 -0.172 0.000 2.211 214 K HA -0.153 4.167 4.320 0.000 0.000 0.204 214 K C 0.519 176.970 176.600 -0.249 0.000 1.047 214 K CA 1.770 57.987 56.287 -0.116 0.000 0.935 214 K CB -0.208 32.221 32.500 -0.118 0.000 0.728 214 K HN 0.331 nan 8.250 nan 0.000 0.452 215 E N 1.648 121.570 120.200 -0.463 0.000 2.736 215 E HA 0.066 4.416 4.350 0.000 0.000 0.208 215 E C -0.915 175.411 176.600 -0.458 0.000 0.996 215 E CA -0.325 55.475 56.400 -1.000 0.000 1.104 215 E CB 1.112 30.026 29.700 -1.309 0.000 1.111 215 E HN 0.237 nan 8.360 nan 0.000 0.455 216 S N 0.518 116.170 115.700 -0.080 0.000 2.523 216 S HA 0.209 4.679 4.470 0.000 0.000 0.275 216 S C 1.221 175.930 174.600 0.181 0.000 1.281 216 S CA -0.508 57.741 58.200 0.081 0.000 1.050 216 S CB 0.590 63.891 63.200 0.169 0.000 0.937 216 S HN 0.251 nan 8.310 nan 0.000 0.492 217 I N 4.511 125.073 120.570 -0.014 0.000 2.179 217 I HA -0.170 4.000 4.170 0.000 0.000 0.242 217 I C 2.805 178.726 176.117 -0.327 0.000 1.088 217 I CA 1.172 62.176 61.300 -0.493 0.000 1.357 217 I CB -0.266 37.228 38.000 -0.843 0.000 1.051 217 I HN 0.714 nan 8.210 nan 0.000 0.409 218 R N -0.376 120.034 120.500 -0.151 0.000 2.083 218 R HA -0.251 4.089 4.340 0.000 0.000 0.237 218 R C 2.387 178.705 176.300 0.030 0.000 1.137 218 R CA 2.004 58.068 56.100 -0.060 0.000 0.951 218 R CB -0.769 29.515 30.300 -0.026 0.000 0.851 218 R HN 0.441 nan 8.270 nan 0.000 0.434 219 H N 1.099 120.185 119.070 0.027 0.000 2.290 219 H HA -0.067 4.489 4.556 0.000 0.000 0.298 219 H C 1.812 177.207 175.328 0.112 0.000 1.087 219 H CA 2.000 58.087 56.048 0.065 0.000 1.291 219 H CB -0.126 29.710 29.762 0.123 0.000 1.369 219 H HN 0.138 nan 8.280 nan 0.000 0.492 220 N N 0.016 118.825 118.700 0.181 0.000 2.270 220 N HA -0.121 4.619 4.740 0.000 0.000 0.181 220 N C 2.050 177.710 175.510 0.250 0.000 1.016 220 N CA 0.969 54.170 53.050 0.252 0.000 0.870 220 N CB -0.189 38.661 38.487 0.606 0.000 0.979 220 N HN 0.309 nan 8.380 nan 0.000 0.431 221 L N 1.432 122.806 121.223 0.252 0.000 2.012 221 L HA -0.141 4.199 4.340 0.000 0.000 0.210 221 L C 2.141 179.064 176.870 0.088 0.000 1.073 221 L CA 1.442 56.435 54.840 0.255 0.000 0.748 221 L CB -0.608 41.542 42.059 0.152 0.000 0.891 221 L HN -0.128 nan 8.230 nan 0.000 0.431 222 V N -0.736 119.178 119.914 -0.001 0.000 2.270 222 V HA -0.261 3.859 4.120 0.000 0.000 0.245 222 V C 2.468 178.477 176.094 -0.142 0.000 1.043 222 V CA 1.637 63.898 62.300 -0.066 0.000 1.014 222 V CB -0.755 31.003 31.823 -0.108 0.000 0.645 222 V HN 0.506 nan 8.190 nan 0.000 0.447 223 L N 1.106 122.205 121.223 -0.206 0.000 1.997 223 L HA -0.227 4.113 4.340 0.000 0.000 0.216 223 L C 2.197 178.992 176.870 -0.124 0.000 1.074 223 L CA 2.237 56.952 54.840 -0.209 0.000 0.763 223 L CB -0.951 40.951 42.059 -0.262 0.000 0.890 223 L HN 0.347 nan 8.230 nan 0.000 0.434 224 N N -0.566 118.115 118.700 -0.032 0.000 2.216 224 N HA -0.164 4.576 4.740 0.000 0.000 0.183 224 N C 1.810 177.303 175.510 -0.028 0.000 1.017 224 N CA 1.073 54.125 53.050 0.003 0.000 0.861 224 N CB -0.286 38.234 38.487 0.056 0.000 0.986 224 N HN 0.260 nan 8.380 nan 0.000 0.428 225 K N 1.553 121.935 120.400 -0.031 0.000 2.026 225 K HA 0.039 4.360 4.320 0.000 0.000 0.208 225 K C 1.916 178.467 176.600 -0.081 0.000 1.048 225 K CA 1.005 57.272 56.287 -0.035 0.000 0.929 225 K CB -0.540 31.958 32.500 -0.004 0.000 0.713 225 K HN 0.119 nan 8.250 nan 0.000 0.439 226 L N 0.056 121.154 121.223 -0.208 0.000 2.093 226 L HA -0.163 4.177 4.340 0.000 0.000 0.208 226 L C 2.267 178.950 176.870 -0.311 0.000 1.085 226 L CA 1.666 56.264 54.840 -0.403 0.000 0.755 226 L CB -0.797 40.579 42.059 -1.138 0.000 0.904 226 L HN 0.257 nan 8.230 nan 0.000 0.435 227 T N -0.723 113.690 114.554 -0.236 0.000 2.665 227 T HA -0.284 4.066 4.350 0.000 0.000 0.268 227 T C 1.779 176.532 174.700 0.087 0.000 1.035 227 T CA 1.851 63.977 62.100 0.044 0.000 1.151 227 T CB -0.171 68.735 68.868 0.063 0.000 0.862 227 T HN 0.407 nan 8.240 nan 0.000 0.438 228 E N 0.578 120.792 120.200 0.024 0.000 2.058 228 E HA -0.196 4.154 4.350 0.000 0.000 0.194 228 E C 2.185 178.788 176.600 0.005 0.000 0.997 228 E CA 1.087 57.495 56.400 0.015 0.000 0.801 228 E CB 0.013 29.706 29.700 -0.012 0.000 0.746 228 E HN 0.385 nan 8.360 nan 0.000 0.450 229 E N -0.425 119.766 120.200 -0.015 0.000 2.153 229 E HA -0.165 4.185 4.350 0.000 0.000 0.194 229 E C 1.000 177.452 176.600 -0.247 0.000 0.988 229 E CA 0.951 57.271 56.400 -0.133 0.000 0.811 229 E CB -0.032 29.571 29.700 -0.162 0.000 0.746 229 E HN 0.480 nan 8.360 nan 0.000 0.466 230 Y N 0.428 120.769 120.300 0.067 0.000 2.658 230 Y HA 0.196 4.746 4.550 0.000 0.000 0.276 230 Y C 0.589 176.557 175.900 0.113 0.000 1.167 230 Y CA -0.407 57.772 58.100 0.132 0.000 1.230 230 Y CB 0.291 38.931 38.460 0.299 0.000 1.144 230 Y HN -0.270 nan 8.280 nan 0.000 0.529 231 K N 0.752 121.244 120.400 0.152 0.000 2.491 231 K HA 0.095 4.415 4.320 0.000 0.000 0.279 231 K C 1.220 177.880 176.600 0.100 0.000 1.026 231 K CA 1.268 57.625 56.287 0.117 0.000 1.070 231 K CB -0.089 32.448 32.500 0.061 0.000 0.887 231 K HN 0.655 nan 8.250 nan 0.000 0.481 232 G N 3.214 112.076 108.800 0.104 0.000 2.155 232 G HA2 -0.309 3.651 3.960 0.000 0.000 0.257 232 G HA3 -0.309 3.651 3.960 0.000 0.000 0.257 232 G C 0.515 175.473 174.900 0.096 0.000 0.983 232 G CA 0.900 46.050 45.100 0.084 0.000 0.676 232 G HN 0.765 nan 8.290 nan 0.000 0.528 233 Q N -1.642 118.243 119.800 0.141 0.000 2.534 233 Q HA 0.273 4.613 4.340 0.000 0.000 0.252 233 Q C 1.165 177.259 176.000 0.155 0.000 0.850 233 Q CA 0.168 56.065 55.803 0.155 0.000 0.974 233 Q CB 0.966 29.825 28.738 0.202 0.000 1.205 233 Q HN 0.487 nan 8.270 nan 0.000 0.593 234 R N 0.442 121.049 120.500 0.177 0.000 2.707 234 R HA 0.371 4.711 4.340 0.000 0.000 0.272 234 R C -1.633 174.697 176.300 0.049 0.000 1.011 234 R CA -0.700 55.417 56.100 0.028 0.000 0.893 234 R CB 1.761 31.887 30.300 -0.290 0.000 1.233 234 R HN -0.025 nan 8.270 nan 0.000 0.464 235 D N 1.615 121.976 120.400 -0.064 0.000 2.168 235 D HA 0.353 4.993 4.640 0.000 0.000 0.246 235 D C -0.713 175.462 176.300 -0.209 0.000 1.050 235 D CA 0.127 54.121 54.000 -0.010 0.000 0.857 235 D CB 1.272 42.077 40.800 0.008 0.000 1.169 235 D HN 0.128 nan 8.370 nan 0.000 0.453 236 F N 0.915 120.868 119.950 0.006 0.000 2.507 236 F HA 0.358 4.885 4.527 0.000 0.000 0.327 236 F C 0.778 176.592 175.800 0.023 0.000 1.068 236 F CA -0.581 57.415 58.000 -0.007 0.000 0.965 236 F CB 1.737 40.725 39.000 -0.020 0.000 1.192 236 F HN 0.230 nan 8.300 nan 0.000 0.476 237 Q N 0.000 119.922 119.800 0.203 0.000 2.814 237 Q HA 0.338 4.678 4.340 0.000 0.000 0.322 237 Q C -1.597 174.518 176.000 0.191 0.000 0.861 237 Q CA -1.282 54.622 55.803 0.167 0.000 0.773 237 Q CB 1.678 30.478 28.738 0.103 0.000 1.423 237 Q HN 0.608 nan 8.270 nan 0.000 0.495 238 Q N 0.926 120.853 119.800 0.210 0.000 2.332 238 Q HA 0.260 4.600 4.340 0.000 0.000 0.263 238 Q C -0.451 175.612 176.000 0.105 0.000 0.979 238 Q CA -0.264 55.667 55.803 0.214 0.000 0.885 238 Q CB 0.561 29.382 28.738 0.138 0.000 1.218 238 Q HN 0.576 nan 8.270 nan 0.000 0.405 239 I N 6.750 127.361 120.570 0.069 0.000 2.906 239 I HA -0.106 4.064 4.170 0.000 0.000 0.301 239 I C -1.966 174.158 176.117 0.013 0.000 1.221 239 I CA -1.120 60.194 61.300 0.023 0.000 1.435 239 I CB 0.059 38.040 38.000 -0.032 0.000 1.345 239 I HN 0.429 nan 8.210 nan 0.000 0.558 240 P HA 0.234 nan 4.420 nan 0.000 0.271 240 P C -0.880 176.405 177.300 -0.025 0.000 1.233 240 P CA 0.134 63.229 63.100 -0.007 0.000 0.764 240 P CB 0.460 32.142 31.700 -0.030 0.000 0.825 241 L N 2.496 123.719 121.223 0.000 0.000 2.365 241 L HA 0.629 4.969 4.340 0.000 0.000 0.273 241 L C 0.335 177.201 176.870 -0.007 0.000 1.000 241 L CA -1.159 53.679 54.840 -0.003 0.000 0.819 241 L CB 2.081 44.213 42.059 0.122 0.000 1.284 241 L HN 0.245 nan 8.230 nan 0.000 0.418 242 A N 3.223 125.995 122.820 -0.080 0.000 2.671 242 A HA 0.740 5.060 4.320 0.000 0.000 0.306 242 A C 0.020 177.633 177.584 0.049 0.000 1.473 242 A CA 0.127 52.164 52.037 0.000 0.000 1.155 242 A CB -0.383 18.564 19.000 -0.088 0.000 1.123 242 A HN 0.784 nan 8.150 nan 0.000 0.545 243 A N 1.919 124.734 122.820 -0.008 0.000 2.590 243 A HA 0.718 5.038 4.320 0.000 0.000 0.296 243 A C -0.493 176.975 177.584 -0.194 0.000 1.050 243 A CA -0.468 51.459 52.037 -0.183 0.000 0.697 243 A CB 0.750 19.442 19.000 -0.512 0.000 1.277 243 A HN 0.626 nan 8.150 nan 0.000 0.411 244 T N 1.513 115.924 114.554 -0.239 0.000 2.840 244 T HA 0.486 4.836 4.350 0.000 0.000 0.287 244 T C -0.015 174.540 174.700 -0.242 0.000 0.991 244 T CA -0.395 61.596 62.100 -0.181 0.000 0.964 244 T CB 1.116 69.936 68.868 -0.080 0.000 0.954 244 T HN 0.715 nan 8.240 nan 0.000 0.438 245 R N 2.310 122.656 120.500 -0.255 0.000 2.442 245 R HA 0.252 4.592 4.340 0.000 0.000 0.291 245 R C 0.776 176.995 176.300 -0.135 0.000 1.069 245 R CA -0.363 55.579 56.100 -0.262 0.000 1.022 245 R CB 0.382 30.492 30.300 -0.315 0.000 0.976 245 R HN 0.384 nan 8.270 nan 0.000 0.443 246 R N 1.048 121.515 120.500 -0.056 0.000 2.279 246 R HA 0.143 4.483 4.340 0.000 0.000 0.195 246 R C 0.027 176.306 176.300 -0.035 0.000 0.905 246 R CA 0.578 56.666 56.100 -0.021 0.000 1.044 246 R CB 0.402 30.726 30.300 0.041 0.000 1.056 246 R HN 0.760 nan 8.270 nan 0.000 0.535 247 S N -1.516 114.169 115.700 -0.025 0.000 2.615 247 S HA 0.336 4.806 4.470 0.000 0.000 0.268 247 S C -2.673 171.896 174.600 -0.051 0.000 1.146 247 S CA -1.010 57.172 58.200 -0.030 0.000 0.818 247 S CB 2.037 65.237 63.200 0.000 0.000 1.111 247 S HN -0.254 nan 8.310 nan 0.000 0.465 248 P HA -0.009 nan 4.420 nan 0.000 0.222 248 P C 0.999 178.268 177.300 -0.051 0.000 1.142 248 P CA 1.863 64.921 63.100 -0.071 0.000 0.788 248 P CB -0.169 31.509 31.700 -0.036 0.000 0.767 249 T N -6.882 107.676 114.554 0.007 0.000 3.145 249 T HA 0.299 4.649 4.350 0.000 0.000 0.281 249 T C -0.277 174.485 174.700 0.103 0.000 1.003 249 T CA -0.375 61.751 62.100 0.044 0.000 0.901 249 T CB -0.599 68.317 68.868 0.080 0.000 1.112 249 T HN -0.123 nan 8.240 nan 0.000 0.535 250 F N 1.642 121.529 119.950 -0.105 0.000 2.617 250 F HA 0.634 5.161 4.527 0.000 0.000 0.325 250 F C -1.419 174.250 175.800 -0.218 0.000 1.179 250 F CA -1.120 56.813 58.000 -0.111 0.000 0.965 250 F CB 1.829 40.782 39.000 -0.078 0.000 1.232 250 F HN -0.101 nan 8.300 nan 0.000 0.461 251 V N 5.305 124.901 119.914 -0.531 0.000 2.398 251 V HA 0.271 4.391 4.120 0.000 0.000 0.286 251 V C -0.179 175.390 176.094 -0.875 0.000 1.026 251 V CA -0.756 61.123 62.300 -0.702 0.000 0.868 251 V CB 1.638 32.843 31.823 -1.031 0.000 0.982 251 V HN 0.705 nan 8.190 nan 0.000 0.443 252 E N 4.745 124.672 120.200 -0.455 0.000 1.996 252 E HA 0.146 4.496 4.350 0.000 0.000 0.280 252 E C -1.050 175.335 176.600 -0.359 0.000 1.092 252 E CA -0.587 55.679 56.400 -0.224 0.000 0.862 252 E CB 0.412 30.169 29.700 0.095 0.000 1.066 252 E HN 0.636 nan 8.360 nan 0.000 0.396 253 W N 2.975 124.178 121.300 -0.162 0.000 2.216 253 W HA 0.086 4.746 4.660 0.000 0.000 0.326 253 W C 0.712 177.267 176.519 0.059 0.000 1.319 253 W CA -0.501 56.730 57.345 -0.190 0.000 1.213 253 W CB 0.752 29.843 29.460 -0.615 0.000 1.171 253 W HN 0.329 nan 8.180 nan 0.000 0.557 254 S N 1.688 117.603 115.700 0.357 0.000 2.624 254 S HA 0.610 5.080 4.470 0.000 0.000 0.263 254 S C 0.126 175.184 174.600 0.764 0.000 1.287 254 S CA -0.513 57.975 58.200 0.480 0.000 0.990 254 S CB 1.112 64.601 63.200 0.482 0.000 0.950 254 S HN 0.521 nan 8.310 nan 0.000 0.561 255 S N -0.845 115.243 115.700 0.646 0.000 2.655 255 S HA 0.648 5.118 4.470 0.000 0.000 0.266 255 S C 0.629 175.431 174.600 0.337 0.000 1.149 255 S CA -0.366 58.129 58.200 0.492 0.000 0.818 255 S CB 0.546 63.965 63.200 0.365 0.000 1.130 255 S HN 0.772 nan 8.310 nan 0.000 0.476 256 A N 1.563 124.478 122.820 0.158 0.000 1.948 256 A HA -0.191 4.129 4.320 0.000 0.000 0.220 256 A C 2.010 179.648 177.584 0.090 0.000 1.177 256 A CA 2.162 54.255 52.037 0.094 0.000 0.636 256 A CB -1.484 17.538 19.000 0.037 0.000 0.815 256 A HN 0.872 nan 8.150 nan 0.000 0.449 257 N N -0.470 118.289 118.700 0.099 0.000 2.149 257 N HA -0.167 4.573 4.740 0.000 0.000 0.188 257 N C 1.587 177.126 175.510 0.049 0.000 1.019 257 N CA 2.122 55.202 53.050 0.049 0.000 0.857 257 N CB -0.289 38.238 38.487 0.066 0.000 0.997 257 N HN 0.466 nan 8.380 nan 0.000 0.426 258 T N 0.749 115.386 114.554 0.138 0.000 2.720 258 T HA -0.095 4.255 4.350 0.000 0.000 0.268 258 T C 2.080 176.822 174.700 0.071 0.000 1.037 258 T CA 1.438 63.625 62.100 0.146 0.000 1.144 258 T CB -0.342 68.696 68.868 0.284 0.000 0.864 258 T HN 0.073 nan 8.240 nan 0.000 0.444 259 V N -0.527 119.414 119.914 0.046 0.000 2.358 259 V HA 0.129 4.249 4.120 0.000 0.000 0.246 259 V C 0.556 176.610 176.094 -0.065 0.000 1.047 259 V CA 1.016 63.261 62.300 -0.091 0.000 1.035 259 V CB -0.398 31.331 31.823 -0.157 0.000 0.658 259 V HN 0.498 nan 8.190 nan 0.000 0.452 260 F N 0.846 120.674 119.950 -0.204 0.000 2.623 260 F HA 0.383 4.910 4.527 0.000 0.000 0.323 260 F C 0.117 175.795 175.800 -0.203 0.000 1.158 260 F CA -1.545 56.302 58.000 -0.255 0.000 1.030 260 F CB 1.399 40.195 39.000 -0.340 0.000 1.280 260 F HN 0.150 nan 8.300 nan 0.000 0.474 261 D N 4.897 124.783 120.400 -0.855 0.000 2.363 261 D HA -0.007 4.633 4.640 0.000 0.000 0.226 261 D C 1.140 177.144 176.300 -0.493 0.000 1.020 261 D CA 0.974 54.664 54.000 -0.517 0.000 0.892 261 D CB -0.031 40.535 40.800 -0.390 0.000 0.900 261 D HN 0.681 nan 8.370 nan 0.000 0.531 262 L N -1.914 118.834 121.223 -0.792 0.000 4.696 262 L HA -0.243 4.097 4.340 0.000 0.000 0.425 262 L C -0.186 176.653 176.870 -0.052 0.000 1.115 262 L CA 0.485 55.155 54.840 -0.283 0.000 0.996 262 L CB -1.371 40.684 42.059 -0.007 0.000 2.077 262 L HN 0.244 nan 8.230 nan 0.000 0.792 263 Q N 0.894 120.557 119.800 -0.228 0.000 2.327 263 Q HA 0.232 4.572 4.340 0.000 0.000 0.254 263 Q C 0.381 176.450 176.000 0.114 0.000 0.952 263 Q CA -0.162 55.603 55.803 -0.062 0.000 0.884 263 Q CB 0.709 29.373 28.738 -0.124 0.000 1.224 263 Q HN 0.122 nan 8.270 nan 0.000 0.422 264 N N 2.000 120.762 118.700 0.104 0.000 2.454 264 N HA 0.063 4.803 4.740 0.000 0.000 0.254 264 N C -0.335 175.240 175.510 0.107 0.000 1.228 264 N CA 0.485 53.599 53.050 0.106 0.000 0.900 264 N CB 0.566 39.019 38.487 -0.057 0.000 1.089 264 N HN 0.248 nan 8.380 nan 0.000 0.449 265 R N 1.507 122.098 120.500 0.151 0.000 2.686 265 R HA 0.471 4.811 4.340 0.000 0.000 0.283 265 R C -2.498 173.848 176.300 0.077 0.000 0.978 265 R CA -1.628 54.547 56.100 0.124 0.000 0.897 265 R CB 1.945 32.354 30.300 0.182 0.000 1.192 265 R HN 0.360 nan 8.270 nan 0.000 0.457 266 P HA 0.139 nan 4.420 nan 0.000 0.275 266 P C -1.323 176.026 177.300 0.082 0.000 1.228 266 P CA -0.383 62.790 63.100 0.123 0.000 0.786 266 P CB 0.673 32.502 31.700 0.215 0.000 0.927 267 N N -1.468 117.271 118.700 0.065 0.000 2.853 267 N HA 0.254 4.994 4.740 0.000 0.000 0.258 267 N C 0.517 176.042 175.510 0.026 0.000 1.444 267 N CA -0.805 52.266 53.050 0.035 0.000 0.837 267 N CB -0.581 37.914 38.487 0.013 0.000 1.489 267 N HN 0.050 nan 8.380 nan 0.000 0.529 268 T N -0.810 113.751 114.554 0.012 0.000 2.721 268 T HA -0.168 4.182 4.350 0.000 0.000 0.268 268 T C 0.391 175.093 174.700 0.004 0.000 1.038 268 T CA 1.874 63.978 62.100 0.006 0.000 1.145 268 T CB -0.447 68.420 68.868 -0.002 0.000 0.858 268 T HN 0.553 nan 8.240 nan 0.000 0.459 269 D N 0.773 121.172 120.400 -0.003 0.000 2.305 269 D HA 0.241 4.881 4.640 0.000 0.000 0.206 269 D C 0.832 177.133 176.300 0.003 0.000 0.974 269 D CA 0.473 54.468 54.000 -0.009 0.000 0.871 269 D CB 0.244 41.028 40.800 -0.027 0.000 0.947 269 D HN 0.411 nan 8.370 nan 0.000 0.516 270 A N 1.455 124.286 122.820 0.019 0.000 3.300 270 A HA 0.295 4.615 4.320 0.000 0.000 0.300 270 A C -1.955 175.675 177.584 0.075 0.000 1.099 270 A CA -0.818 51.244 52.037 0.042 0.000 0.846 270 A CB 0.930 19.955 19.000 0.042 0.000 1.255 270 A HN -0.178 nan 8.150 nan 0.000 0.519 271 P HA -0.153 nan 4.420 nan 0.000 0.221 271 P C 0.681 178.081 177.300 0.166 0.000 1.145 271 P CA 1.268 64.421 63.100 0.089 0.000 0.795 271 P CB 0.461 32.185 31.700 0.039 0.000 0.775 272 E N -0.579 119.729 120.200 0.180 0.000 2.481 272 E HA 0.080 4.430 4.350 0.000 0.000 0.198 272 E C 0.271 177.090 176.600 0.364 0.000 1.027 272 E CA -0.043 56.538 56.400 0.302 0.000 0.900 272 E CB 0.406 30.200 29.700 0.156 0.000 0.993 272 E HN 0.466 nan 8.360 nan 0.000 0.482 273 E N 0.925 121.254 120.200 0.214 0.000 2.283 273 E HA 0.318 4.668 4.350 0.000 0.000 0.271 273 E C -0.305 176.322 176.600 0.045 0.000 1.031 273 E CA -0.236 56.238 56.400 0.123 0.000 0.868 273 E CB 1.219 30.993 29.700 0.123 0.000 1.094 273 E HN -0.119 nan 8.360 nan 0.000 0.401 274 R N 2.139 122.631 120.500 -0.013 0.000 2.388 274 R HA 0.398 4.738 4.340 0.000 0.000 0.314 274 R C -1.461 174.911 176.300 0.120 0.000 0.959 274 R CA -0.508 55.555 56.100 -0.062 0.000 0.851 274 R CB 0.815 30.954 30.300 -0.268 0.000 1.168 274 R HN 0.385 nan 8.270 nan 0.000 0.472 275 F N 2.383 122.314 119.950 -0.031 0.000 2.588 275 F HA 0.433 4.960 4.527 0.000 0.000 0.318 275 F C -1.556 174.188 175.800 -0.094 0.000 1.155 275 F CA -0.707 57.275 58.000 -0.030 0.000 0.967 275 F CB 1.886 40.941 39.000 0.092 0.000 1.236 275 F HN 0.375 nan 8.300 nan 0.000 0.455 276 N N 4.870 122.945 118.700 -1.042 0.000 2.296 276 N HA 0.591 5.331 4.740 0.000 0.000 0.294 276 N C -1.959 172.542 175.510 -1.682 0.000 1.033 276 N CA -0.675 51.667 53.050 -1.180 0.000 0.839 276 N CB 2.306 40.290 38.487 -0.838 0.000 1.395 276 N HN 0.568 nan 8.380 nan 0.000 0.479 277 L N 2.456 122.907 121.223 -1.287 0.000 2.295 277 L HA 0.623 4.963 4.340 0.000 0.000 0.285 277 L C -1.622 174.680 176.870 -0.947 0.000 1.035 277 L CA -0.265 54.061 54.840 -0.856 0.000 0.806 277 L CB 0.179 42.083 42.059 -0.259 0.000 1.214 277 L HN 0.474 nan 8.230 nan 0.000 0.426 278 F N 6.199 125.902 119.950 -0.412 0.000 2.443 278 F HA 0.528 5.055 4.527 0.000 0.000 0.369 278 F C -2.144 173.612 175.800 -0.073 0.000 1.090 278 F CA -1.988 55.873 58.000 -0.231 0.000 1.129 278 F CB 0.776 39.626 39.000 -0.251 0.000 1.367 278 F HN 0.418 nan 8.300 nan 0.000 0.465 279 P HA 0.296 nan 4.420 nan 0.000 0.276 279 P C 0.051 177.408 177.300 0.095 0.000 1.261 279 P CA -0.141 63.000 63.100 0.067 0.000 0.800 279 P CB 0.990 32.708 31.700 0.030 0.000 1.066 280 A N -0.986 121.874 122.820 0.066 0.000 2.822 280 A HA -0.116 4.204 4.320 0.000 0.000 0.287 280 A C 0.002 177.616 177.584 0.049 0.000 1.479 280 A CA 0.790 52.859 52.037 0.053 0.000 0.779 280 A CB -2.441 16.588 19.000 0.048 0.000 1.022 280 A HN 0.259 nan 8.150 nan 0.000 0.532 281 V N -0.258 119.702 119.914 0.076 0.000 2.376 281 V HA 0.652 4.772 4.120 0.000 0.000 0.287 281 V C 0.626 176.722 176.094 0.003 0.000 1.015 281 V CA -0.308 62.032 62.300 0.066 0.000 0.834 281 V CB 1.440 33.394 31.823 0.217 0.000 1.001 281 V HN 1.420 nan 8.190 nan 0.000 0.428 282 A N 4.404 127.199 122.820 -0.042 0.000 2.350 282 A HA 0.428 4.748 4.320 0.000 0.000 0.293 282 A C 0.209 177.762 177.584 -0.052 0.000 1.231 282 A CA -0.156 51.847 52.037 -0.058 0.000 0.883 282 A CB -0.252 18.759 19.000 0.019 0.000 1.133 282 A HN 0.865 nan 8.150 nan 0.000 0.533 283 C N 2.663 121.909 119.300 -0.090 0.000 2.435 283 C HA 0.367 4.827 4.460 0.000 0.000 0.375 283 C C 1.357 176.316 174.990 -0.052 0.000 1.281 283 C CA -0.248 58.709 59.018 -0.102 0.000 1.963 283 C CB -0.160 27.512 27.740 -0.114 0.000 2.490 283 C HN 1.003 nan 8.230 nan 0.000 0.557 284 E N 0.627 120.826 120.200 -0.002 0.000 2.391 284 E HA 0.134 4.484 4.350 0.000 0.000 0.206 284 E C -0.028 176.575 176.600 0.006 0.000 0.851 284 E CA 0.269 56.688 56.400 0.032 0.000 1.059 284 E CB 0.524 30.299 29.700 0.125 0.000 1.065 284 E HN 0.647 nan 8.360 nan 0.000 0.512 285 R N 0.906 121.419 120.500 0.021 0.000 2.561 285 R HA 0.309 4.649 4.340 0.000 0.000 0.266 285 R C -0.859 175.431 176.300 -0.018 0.000 1.091 285 R CA -0.595 55.498 56.100 -0.011 0.000 0.927 285 R CB 2.071 32.347 30.300 -0.039 0.000 1.240 285 R HN -0.092 nan 8.270 nan 0.000 0.449 286 V N -0.453 119.432 119.914 -0.048 0.000 2.509 286 V HA 0.515 4.635 4.120 0.000 0.000 0.284 286 V C 0.225 176.273 176.094 -0.076 0.000 1.047 286 V CA -0.750 61.489 62.300 -0.101 0.000 0.952 286 V CB 1.620 33.337 31.823 -0.178 0.000 0.988 286 V HN 0.441 nan 8.190 nan 0.000 0.469 287 V N 5.959 125.811 119.914 -0.103 0.000 2.406 287 V HA 0.426 4.546 4.120 0.000 0.000 0.272 287 V C 0.724 176.792 176.094 -0.043 0.000 1.043 287 V CA -0.386 61.874 62.300 -0.066 0.000 0.915 287 V CB 0.719 32.516 31.823 -0.044 0.000 0.988 287 V HN 0.937 nan 8.190 nan 0.000 0.466 288 R N 3.612 124.107 120.500 -0.008 0.000 2.490 288 R HA 0.296 4.636 4.340 0.000 0.000 0.278 288 R C 0.275 176.608 176.300 0.055 0.000 1.069 288 R CA -0.574 55.580 56.100 0.091 0.000 1.080 288 R CB 0.712 31.041 30.300 0.048 0.000 1.030 288 R HN 0.883 nan 8.270 nan 0.000 0.491 289 N N 1.201 119.947 118.700 0.076 0.000 2.381 289 N HA 0.029 4.769 4.740 0.000 0.000 0.254 289 N C 0.502 176.011 175.510 -0.002 0.000 1.264 289 N CA -0.003 53.060 53.050 0.021 0.000 0.942 289 N CB 0.452 38.946 38.487 0.012 0.000 1.190 289 N HN 0.548 nan 8.380 nan 0.000 0.495 290 A N 0.052 122.862 122.820 -0.015 0.000 2.015 290 A HA -0.007 4.313 4.320 0.000 0.000 0.219 290 A C 1.975 179.537 177.584 -0.037 0.000 1.163 290 A CA 0.787 52.809 52.037 -0.024 0.000 0.646 290 A CB -0.763 18.224 19.000 -0.021 0.000 0.806 290 A HN 0.643 nan 8.150 nan 0.000 0.448 291 L N -0.352 120.840 121.223 -0.052 0.000 2.627 291 L HA 0.019 4.359 4.340 0.000 0.000 0.233 291 L C -0.095 176.690 176.870 -0.142 0.000 1.144 291 L CA -0.199 54.594 54.840 -0.078 0.000 0.892 291 L CB -0.451 41.564 42.059 -0.074 0.000 1.039 291 L HN 0.387 nan 8.230 nan 0.000 0.442 292 N N 0.477 119.090 118.700 -0.144 0.000 2.714 292 N HA -0.197 4.543 4.740 0.000 0.000 0.252 292 N C 0.912 175.881 175.510 -0.902 0.000 1.014 292 N CA 1.101 53.987 53.050 -0.273 0.000 0.735 292 N CB -1.033 37.426 38.487 -0.047 0.000 0.924 292 N HN 0.546 nan 8.380 nan 0.000 0.540 293 S N -2.045 113.199 115.700 -0.759 0.000 2.687 293 S HA 0.230 4.700 4.470 0.000 0.000 0.247 293 S C 0.193 174.507 174.600 -0.478 0.000 1.050 293 S CA -0.241 57.537 58.200 -0.703 0.000 1.063 293 S CB 1.509 64.535 63.200 -0.289 0.000 1.039 293 S HN 0.386 nan 8.310 nan 0.000 0.580 294 E N 0.584 120.644 120.200 -0.233 0.000 2.363 294 E HA 0.396 4.746 4.350 0.000 0.000 0.281 294 E C -1.609 175.163 176.600 0.286 0.000 0.953 294 E CA -0.842 55.637 56.400 0.132 0.000 0.778 294 E CB 1.325 31.071 29.700 0.076 0.000 1.220 294 E HN 0.141 nan 8.360 nan 0.000 0.431 295 I N 3.915 124.613 120.570 0.212 0.000 2.371 295 I HA 0.083 4.253 4.170 0.000 0.000 0.290 295 I C 1.152 177.190 176.117 -0.132 0.000 1.028 295 I CA 0.075 61.322 61.300 -0.089 0.000 1.345 295 I CB 1.064 38.759 38.000 -0.508 0.000 1.407 295 I HN 0.689 nan 8.210 nan 0.000 0.501 296 E N 3.688 123.831 120.200 -0.096 0.000 2.086 296 E HA -0.004 4.346 4.350 0.000 0.000 0.190 296 E C 0.550 177.167 176.600 0.028 0.000 0.975 296 E CA 0.688 57.086 56.400 -0.003 0.000 0.813 296 E CB 0.246 29.954 29.700 0.013 0.000 0.768 296 E HN 0.748 nan 8.360 nan 0.000 0.457 297 S N -0.814 114.837 115.700 -0.081 0.000 2.615 297 S HA 0.518 4.988 4.470 0.000 0.000 0.269 297 S C -1.232 173.351 174.600 -0.027 0.000 1.161 297 S CA -1.069 57.169 58.200 0.063 0.000 0.817 297 S CB 1.401 64.660 63.200 0.098 0.000 1.131 297 S HN 0.025 nan 8.310 nan 0.000 0.467 298 L N 2.025 123.345 121.223 0.161 0.000 2.287 298 L HA 0.616 4.956 4.340 0.000 0.000 0.287 298 L C -0.691 176.194 176.870 0.025 0.000 1.022 298 L CA -0.151 54.733 54.840 0.073 0.000 0.814 298 L CB 0.895 43.021 42.059 0.110 0.000 1.217 298 L HN 0.989 nan 8.230 nan 0.000 0.420 299 H N 5.450 124.480 119.070 -0.067 0.000 2.604 299 H HA 0.604 5.160 4.556 0.000 0.000 0.306 299 H C -0.479 174.797 175.328 -0.087 0.000 1.075 299 H CA -0.303 55.709 56.048 -0.059 0.000 1.357 299 H CB 0.715 30.446 29.762 -0.051 0.000 1.426 299 H HN 0.662 nan 8.280 nan 0.000 0.470 300 I N 1.754 122.039 120.570 -0.475 0.000 2.846 300 I HA 0.416 4.586 4.170 0.000 0.000 0.307 300 I C -1.193 174.800 176.117 -0.207 0.000 1.053 300 I CA -1.009 60.107 61.300 -0.306 0.000 1.050 300 I CB 2.536 40.311 38.000 -0.374 0.000 1.239 300 I HN 0.669 nan 8.210 nan 0.000 0.439 301 H N 3.285 122.260 119.070 -0.158 0.000 2.800 301 H HA 0.234 4.790 4.556 0.000 0.000 0.322 301 H C -1.430 173.896 175.328 -0.004 0.000 0.979 301 H CA -0.693 55.304 56.048 -0.085 0.000 1.277 301 H CB 1.453 31.199 29.762 -0.027 0.000 1.484 301 H HN 0.769 nan 8.280 nan 0.000 0.512 302 D N 5.468 125.878 120.400 0.016 0.000 2.358 302 D HA -0.013 4.627 4.640 0.000 0.000 0.258 302 D C 1.114 177.260 176.300 -0.257 0.000 1.223 302 D CA -0.027 53.959 54.000 -0.023 0.000 0.886 302 D CB 0.925 41.822 40.800 0.161 0.000 1.120 302 D HN 0.674 nan 8.370 nan 0.000 0.482 303 L N 4.225 125.289 121.223 -0.266 0.000 2.291 303 L HA -0.113 4.227 4.340 0.000 0.000 0.214 303 L C 1.873 178.681 176.870 -0.104 0.000 1.120 303 L CA 0.186 54.859 54.840 -0.279 0.000 0.799 303 L CB -0.089 41.904 42.059 -0.110 0.000 0.925 303 L HN 0.521 nan 8.230 nan 0.000 0.446 304 I N -0.528 120.020 120.570 -0.037 0.000 2.296 304 I HA -0.138 4.032 4.170 0.000 0.000 0.242 304 I C 2.706 178.835 176.117 0.019 0.000 1.087 304 I CA 1.632 62.936 61.300 0.007 0.000 1.393 304 I CB -1.207 36.812 38.000 0.032 0.000 1.093 304 I HN 0.264 nan 8.210 nan 0.000 0.421 305 S N 0.350 116.073 115.700 0.039 0.000 2.470 305 S HA 0.115 4.585 4.470 0.000 0.000 0.225 305 S C 1.855 176.484 174.600 0.049 0.000 1.006 305 S CA 0.753 58.987 58.200 0.056 0.000 0.934 305 S CB -0.031 63.227 63.200 0.097 0.000 0.778 305 S HN 0.600 nan 8.310 nan 0.000 0.517 306 G N 1.334 110.162 108.800 0.046 0.000 2.205 306 G HA2 -0.218 3.742 3.960 0.000 0.000 0.261 306 G HA3 -0.218 3.742 3.960 0.000 0.000 0.261 306 G C -0.426 174.556 174.900 0.136 0.000 0.980 306 G CA 0.168 45.352 45.100 0.139 0.000 0.632 306 G HN 0.572 nan 8.290 nan 0.000 0.533 307 D N 0.786 121.197 120.400 0.018 0.000 2.414 307 D HA 0.402 5.042 4.640 0.000 0.000 0.242 307 D C 0.862 176.984 176.300 -0.296 0.000 1.129 307 D CA 0.302 54.167 54.000 -0.224 0.000 0.885 307 D CB 0.586 41.137 40.800 -0.416 0.000 1.198 307 D HN 0.338 nan 8.370 nan 0.000 0.437 308 R N 1.806 122.024 120.500 -0.471 0.000 2.387 308 R HA 0.482 4.822 4.340 0.000 0.000 0.314 308 R C -0.672 175.221 176.300 -0.679 0.000 0.958 308 R CA -0.610 55.237 56.100 -0.421 0.000 0.846 308 R CB 0.968 31.132 30.300 -0.227 0.000 1.147 308 R HN 0.289 nan 8.270 nan 0.000 0.447 309 F N 0.316 120.094 119.950 -0.287 0.000 2.611 309 F HA 0.338 4.865 4.527 0.000 0.000 0.324 309 F C 0.533 176.197 175.800 -0.226 0.000 1.061 309 F CA -0.981 56.901 58.000 -0.197 0.000 0.954 309 F CB 1.584 40.490 39.000 -0.157 0.000 1.301 309 F HN 0.173 nan 8.300 nan 0.000 0.482 310 E N 2.565 122.853 120.200 0.147 0.000 2.156 310 E HA 0.380 4.730 4.350 0.000 0.000 0.279 310 E C -0.839 175.816 176.600 0.093 0.000 0.965 310 E CA -0.410 56.056 56.400 0.109 0.000 0.789 310 E CB 2.036 31.816 29.700 0.133 0.000 1.098 310 E HN 0.264 nan 8.360 nan 0.000 0.397 311 I N 2.462 123.065 120.570 0.055 0.000 2.412 311 I HA 0.286 4.456 4.170 0.000 0.000 0.296 311 I C 0.185 176.415 176.117 0.188 0.000 0.987 311 I CA -0.818 60.533 61.300 0.085 0.000 1.180 311 I CB 1.430 39.426 38.000 -0.008 0.000 1.340 311 I HN 0.328 nan 8.210 nan 0.000 0.455 312 K N 4.372 124.886 120.400 0.189 0.000 2.221 312 K HA 0.833 5.153 4.320 0.000 0.000 0.258 312 K C -1.205 175.473 176.600 0.130 0.000 0.944 312 K CA -0.331 56.082 56.287 0.210 0.000 0.823 312 K CB 1.963 34.549 32.500 0.144 0.000 1.113 312 K HN 0.808 nan 8.250 nan 0.000 0.431 313 A N 2.639 125.472 122.820 0.021 0.000 2.594 313 A HA 0.375 4.695 4.320 0.000 0.000 0.291 313 A C -0.550 176.944 177.584 -0.149 0.000 1.105 313 A CA -0.683 51.232 52.037 -0.204 0.000 0.694 313 A CB 1.095 19.759 19.000 -0.561 0.000 1.291 313 A HN 0.781 nan 8.150 nan 0.000 0.410 314 D N -0.461 119.888 120.400 -0.085 0.000 2.149 314 D HA 0.083 4.723 4.640 0.000 0.000 0.201 314 D C 0.380 176.618 176.300 -0.103 0.000 0.972 314 D CA 1.729 55.751 54.000 0.036 0.000 0.835 314 D CB 0.144 41.016 40.800 0.120 0.000 0.966 314 D HN 0.232 nan 8.370 nan 0.000 0.476 315 V N 0.906 120.594 119.914 -0.376 0.000 2.487 315 V HA 0.262 4.382 4.120 0.000 0.000 0.298 315 V C -1.162 174.680 176.094 -0.420 0.000 1.028 315 V CA -0.846 61.219 62.300 -0.392 0.000 0.860 315 V CB 1.565 33.041 31.823 -0.577 0.000 0.991 315 V HN -0.051 nan 8.190 nan 0.000 0.427 316 Y N 3.091 123.379 120.300 -0.020 0.000 2.334 316 Y HA 0.650 5.200 4.550 0.000 0.000 0.336 316 Y C -0.029 175.833 175.900 -0.064 0.000 0.960 316 Y CA -0.810 57.267 58.100 -0.039 0.000 1.164 316 Y CB 2.041 40.480 38.460 -0.034 0.000 1.155 316 Y HN 0.379 nan 8.280 nan 0.000 0.478 317 V N 5.647 125.519 119.914 -0.069 0.000 2.448 317 V HA 0.397 4.517 4.120 0.000 0.000 0.295 317 V C -0.367 175.591 176.094 -0.226 0.000 1.025 317 V CA -0.931 61.219 62.300 -0.251 0.000 0.859 317 V CB 1.648 33.099 31.823 -0.620 0.000 0.988 317 V HN 0.585 nan 8.190 nan 0.000 0.431 318 L N 5.163 126.250 121.223 -0.226 0.000 2.280 318 L HA 0.578 4.918 4.340 0.000 0.000 0.287 318 L C 0.280 177.052 176.870 -0.165 0.000 1.023 318 L CA -0.185 54.550 54.840 -0.176 0.000 0.819 318 L CB 1.645 43.583 42.059 -0.202 0.000 1.212 318 L HN 0.824 nan 8.230 nan 0.000 0.420 319 T N -1.568 112.927 114.554 -0.098 0.000 3.741 319 T HA 0.326 4.676 4.350 0.000 0.000 0.242 319 T C 0.580 175.291 174.700 0.019 0.000 1.042 319 T CA -0.160 61.924 62.100 -0.027 0.000 1.278 319 T CB 0.957 69.811 68.868 -0.023 0.000 0.994 319 T HN 0.531 nan 8.240 nan 0.000 0.594 320 A N 0.860 123.698 122.820 0.030 0.000 2.370 320 A HA 0.758 5.078 4.320 0.000 0.000 0.238 320 A C 1.397 179.058 177.584 0.128 0.000 1.289 320 A CA 0.103 52.181 52.037 0.068 0.000 0.885 320 A CB -0.903 18.134 19.000 0.062 0.000 0.961 320 A HN 1.729 nan 8.150 nan 0.000 0.499 321 G N -2.525 106.348 108.800 0.121 0.000 2.699 321 G HA2 0.246 4.206 3.960 0.000 0.000 0.686 321 G HA3 0.246 4.206 3.960 0.000 0.000 0.686 321 G C 0.776 175.769 174.900 0.154 0.000 1.301 321 G CA -0.317 44.861 45.100 0.130 0.000 0.816 321 G HN 1.303 nan 8.290 nan 0.000 0.595 322 A N -0.431 122.467 122.820 0.129 0.000 1.933 322 A HA 0.195 4.515 4.320 0.000 0.000 0.218 322 A C 2.646 180.311 177.584 0.134 0.000 1.175 322 A CA 3.275 55.385 52.037 0.122 0.000 0.628 322 A CB -0.364 18.685 19.000 0.082 0.000 0.814 322 A HN 1.588 nan 8.150 nan 0.000 0.444 323 V N -0.991 118.956 119.914 0.055 0.000 2.331 323 V HA -0.184 3.936 4.120 0.000 0.000 0.242 323 V C 2.222 178.313 176.094 -0.005 0.000 1.034 323 V CA 2.092 64.387 62.300 -0.008 0.000 1.027 323 V CB -1.064 30.635 31.823 -0.207 0.000 0.667 323 V HN 0.733 nan 8.190 nan 0.000 0.457 324 H N -0.032 119.110 119.070 0.121 0.000 2.462 324 H HA -0.061 4.495 4.556 0.000 0.000 0.292 324 H C 2.276 177.603 175.328 -0.000 0.000 1.049 324 H CA 1.137 57.212 56.048 0.045 0.000 1.334 324 H CB 0.049 29.816 29.762 0.008 0.000 1.404 324 H HN 0.326 nan 8.280 nan 0.000 0.544 325 N N -0.138 118.639 118.700 0.128 0.000 2.084 325 N HA -0.119 4.621 4.740 0.000 0.000 0.190 325 N C 1.790 177.298 175.510 -0.004 0.000 1.030 325 N CA 1.757 54.820 53.050 0.023 0.000 0.849 325 N CB -0.475 38.014 38.487 0.003 0.000 1.012 325 N HN 0.331 nan 8.380 nan 0.000 0.423 326 T N 0.907 115.533 114.554 0.121 0.000 2.708 326 T HA -0.173 4.177 4.350 0.000 0.000 0.266 326 T C 1.845 176.425 174.700 -0.199 0.000 1.037 326 T CA 1.127 63.293 62.100 0.109 0.000 1.146 326 T CB -0.264 68.813 68.868 0.348 0.000 0.865 326 T HN 0.345 nan 8.240 nan 0.000 0.435 327 Q N 0.177 119.753 119.800 -0.373 0.000 2.077 327 Q HA -0.168 4.172 4.340 0.000 0.000 0.206 327 Q C 2.320 178.033 176.000 -0.478 0.000 0.989 327 Q CA 1.380 56.603 55.803 -0.966 0.000 0.853 327 Q CB -0.294 28.203 28.738 -0.402 0.000 0.907 327 Q HN 0.348 nan 8.270 nan 0.000 0.418 328 L N 0.736 121.825 121.223 -0.224 0.000 2.012 328 L HA -0.187 4.153 4.340 0.000 0.000 0.210 328 L C 2.133 178.920 176.870 -0.140 0.000 1.073 328 L CA 1.668 56.419 54.840 -0.149 0.000 0.748 328 L CB -0.848 41.147 42.059 -0.106 0.000 0.891 328 L HN 0.341 nan 8.230 nan 0.000 0.431 329 L N -1.755 119.368 121.223 -0.167 0.000 2.012 329 L HA -0.236 4.104 4.340 0.000 0.000 0.210 329 L C 2.442 179.349 176.870 0.061 0.000 1.073 329 L CA 1.242 56.008 54.840 -0.124 0.000 0.748 329 L CB -0.785 41.095 42.059 -0.299 0.000 0.891 329 L HN 0.104 nan 8.230 nan 0.000 0.431 330 V N -0.084 119.794 119.914 -0.059 0.000 2.407 330 V HA -0.271 3.849 4.120 0.000 0.000 0.248 330 V C 2.085 178.155 176.094 -0.039 0.000 1.055 330 V CA 2.017 64.305 62.300 -0.020 0.000 1.049 330 V CB -0.756 31.011 31.823 -0.093 0.000 0.662 330 V HN 0.496 nan 8.190 nan 0.000 0.455 331 N N -0.031 118.600 118.700 -0.114 0.000 2.573 331 N HA -0.094 4.646 4.740 0.000 0.000 0.187 331 N C 1.471 176.957 175.510 -0.039 0.000 1.107 331 N CA 1.008 54.012 53.050 -0.077 0.000 0.918 331 N CB -0.035 38.391 38.487 -0.101 0.000 0.966 331 N HN 0.388 nan 8.380 nan 0.000 0.448 332 S N -1.489 114.217 115.700 0.009 0.000 2.540 332 S HA 0.314 4.784 4.470 0.000 0.000 0.218 332 S C 1.055 175.620 174.600 -0.057 0.000 0.977 332 S CA 0.221 58.435 58.200 0.024 0.000 0.918 332 S CB 0.538 63.817 63.200 0.132 0.000 0.806 332 S HN 0.528 nan 8.310 nan 0.000 0.496 333 G N 1.186 109.952 108.800 -0.056 0.000 2.141 333 G HA2 -0.240 3.720 3.960 0.000 0.000 0.242 333 G HA3 -0.240 3.720 3.960 0.000 0.000 0.242 333 G C -0.075 174.683 174.900 -0.237 0.000 0.982 333 G CA -0.391 44.620 45.100 -0.148 0.000 0.662 333 G HN 0.419 nan 8.290 nan 0.000 0.527 334 F N 0.709 120.624 119.950 -0.058 0.000 2.370 334 F HA 0.576 5.103 4.527 0.000 0.000 0.324 334 F C 1.601 177.408 175.800 0.011 0.000 1.116 334 F CA 0.810 58.788 58.000 -0.036 0.000 1.123 334 F CB 0.866 39.816 39.000 -0.083 0.000 1.238 334 F HN 0.773 nan 8.300 nan 0.000 0.536 335 G N 1.577 110.520 108.800 0.238 0.000 2.582 335 G HA2 -0.281 3.679 3.960 0.000 0.000 0.288 335 G HA3 -0.281 3.679 3.960 0.000 0.000 0.288 335 G C -0.759 174.217 174.900 0.126 0.000 1.247 335 G CA 0.139 45.348 45.100 0.181 0.000 0.972 335 G HN 0.865 nan 8.290 nan 0.000 0.557 336 Q N -1.036 118.845 119.800 0.135 0.000 2.285 336 Q HA 0.614 4.954 4.340 0.000 0.000 0.269 336 Q C -0.947 175.137 176.000 0.141 0.000 1.030 336 Q CA -0.979 54.882 55.803 0.097 0.000 0.788 336 Q CB 1.742 30.515 28.738 0.058 0.000 1.266 336 Q HN 0.942 nan 8.270 nan 0.000 0.438 337 L N 3.636 124.931 121.223 0.119 0.000 2.395 337 L HA 0.779 5.119 4.340 0.000 0.000 0.269 337 L C 0.319 177.270 176.870 0.135 0.000 1.133 337 L CA 1.803 56.742 54.840 0.164 0.000 0.812 337 L CB 1.042 43.169 42.059 0.112 0.000 1.125 337 L HN 0.861 nan 8.230 nan 0.000 0.452 338 G N 3.365 112.300 108.800 0.226 0.000 2.757 338 G HA2 -0.227 3.733 3.960 0.000 0.000 0.638 338 G HA3 -0.227 3.733 3.960 0.000 0.000 0.638 338 G C -0.510 174.263 174.900 -0.212 0.000 1.344 338 G CA -0.184 45.000 45.100 0.140 0.000 0.855 338 G HN 0.969 nan 8.290 nan 0.000 0.537 339 R N 0.728 120.882 120.500 -0.575 0.000 2.538 339 R HA 0.322 4.662 4.340 0.000 0.000 0.282 339 R C -1.857 173.974 176.300 -0.782 0.000 1.009 339 R CA -0.382 54.947 56.100 -1.285 0.000 1.063 339 R CB -0.033 29.859 30.300 -0.680 0.000 0.945 339 R HN 0.361 nan 8.270 nan 0.000 0.414 340 P HA -0.024 nan 4.420 nan 0.000 0.265 340 P C -1.318 175.820 177.300 -0.271 0.000 1.193 340 P CA 0.349 63.189 63.100 -0.433 0.000 0.765 340 P CB 0.417 31.889 31.700 -0.379 0.000 0.823 341 N N 3.103 121.702 118.700 -0.167 0.000 2.581 341 N HA 0.206 4.946 4.740 0.000 0.000 0.279 341 N C -1.939 173.528 175.510 -0.071 0.000 1.124 341 N CA -1.745 51.237 53.050 -0.113 0.000 0.833 341 N CB 1.347 39.775 38.487 -0.099 0.000 1.338 341 N HN 0.169 nan 8.380 nan 0.000 0.533 342 P HA 0.023 nan 4.420 nan 0.000 0.237 342 P C 0.566 177.850 177.300 -0.026 0.000 1.178 342 P CA 0.432 63.511 63.100 -0.036 0.000 0.766 342 P CB 0.288 31.968 31.700 -0.034 0.000 0.876 343 A N -0.643 122.159 122.820 -0.030 0.000 2.251 343 A HA 0.082 4.402 4.320 0.000 0.000 0.209 343 A C 1.363 178.935 177.584 -0.020 0.000 1.187 343 A CA 0.236 52.260 52.037 -0.023 0.000 0.823 343 A CB -0.590 18.395 19.000 -0.025 0.000 0.846 343 A HN 0.083 nan 8.150 nan 0.000 0.486 344 N N 0.821 119.507 118.700 -0.023 0.000 2.622 344 N HA 0.163 4.903 4.740 0.000 0.000 0.304 344 N C -3.051 172.453 175.510 -0.010 0.000 1.844 344 N CA -0.980 52.059 53.050 -0.018 0.000 0.886 344 N CB 0.842 39.313 38.487 -0.025 0.000 1.366 344 N HN 0.149 nan 8.380 nan 0.000 0.491 345 P HA 0.035 nan 4.420 nan 0.000 0.261 345 P C -2.489 174.820 177.300 0.014 0.000 1.165 345 P CA -0.366 62.739 63.100 0.008 0.000 0.759 345 P CB -0.239 31.468 31.700 0.011 0.000 0.772 346 P HA 0.121 nan 4.420 nan 0.000 0.271 346 P C 1.032 178.352 177.300 0.032 0.000 1.218 346 P CA -0.133 62.987 63.100 0.032 0.000 0.780 346 P CB 1.170 32.904 31.700 0.058 0.000 0.901 347 E N 0.954 121.164 120.200 0.017 0.000 2.049 347 E HA -0.134 4.216 4.350 0.000 0.000 0.198 347 E C 0.109 176.734 176.600 0.042 0.000 1.007 347 E CA 1.131 57.539 56.400 0.014 0.000 0.809 347 E CB -0.010 29.681 29.700 -0.015 0.000 0.749 347 E HN 0.409 nan 8.360 nan 0.000 0.450 348 L N 0.284 121.540 121.223 0.055 0.000 2.362 348 L HA 0.286 4.626 4.340 0.000 0.000 0.271 348 L C -0.131 176.858 176.870 0.198 0.000 1.002 348 L CA -0.813 54.103 54.840 0.127 0.000 0.818 348 L CB 1.903 43.999 42.059 0.063 0.000 1.298 348 L HN 0.140 nan 8.230 nan 0.000 0.420 349 L N 3.002 124.368 121.223 0.238 0.000 3.823 349 L HA -0.171 4.169 4.340 0.000 0.000 0.525 349 L C -1.499 175.485 176.870 0.190 0.000 1.247 349 L CA -0.433 54.550 54.840 0.239 0.000 0.776 349 L CB -0.788 41.445 42.059 0.290 0.000 1.443 349 L HN 0.604 nan 8.230 nan 0.000 0.831 350 P HA -0.082 nan 4.420 nan 0.000 0.230 350 P C 1.221 178.620 177.300 0.165 0.000 1.158 350 P CA 0.832 64.012 63.100 0.132 0.000 0.769 350 P CB 0.387 32.146 31.700 0.099 0.000 0.807 351 S N -0.559 115.257 115.700 0.193 0.000 2.558 351 S HA 0.059 4.529 4.470 0.000 0.000 0.217 351 S C 0.854 175.615 174.600 0.269 0.000 0.975 351 S CA -0.351 58.007 58.200 0.263 0.000 0.912 351 S CB -0.638 62.698 63.200 0.227 0.000 0.776 351 S HN 0.077 nan 8.310 nan 0.000 0.526 352 L N 2.121 123.481 121.223 0.229 0.000 2.499 352 L HA 0.426 4.766 4.340 0.000 0.000 0.273 352 L C 1.209 178.227 176.870 0.246 0.000 1.195 352 L CA 1.071 56.049 54.840 0.230 0.000 0.882 352 L CB -0.291 41.892 42.059 0.207 0.000 1.133 352 L HN 0.332 nan 8.230 nan 0.000 0.483 353 G N 2.513 111.468 108.800 0.259 0.000 2.168 353 G HA2 -0.279 3.681 3.960 0.000 0.000 0.263 353 G HA3 -0.279 3.681 3.960 0.000 0.000 0.263 353 G C 0.452 175.485 174.900 0.221 0.000 0.977 353 G CA 0.476 45.728 45.100 0.254 0.000 0.659 353 G HN 0.826 nan 8.290 nan 0.000 0.533 354 S N -1.560 114.279 115.700 0.231 0.000 2.718 354 S HA 0.644 5.114 4.470 0.000 0.000 0.300 354 S C 0.383 175.140 174.600 0.262 0.000 1.117 354 S CA 0.076 58.359 58.200 0.138 0.000 1.002 354 S CB 0.883 64.095 63.200 0.020 0.000 1.092 354 S HN 0.900 nan 8.310 nan 0.000 0.542 355 Y N -0.973 119.399 120.300 0.119 0.000 4.177 355 Y HA -0.202 4.348 4.550 0.000 0.000 0.227 355 Y C 0.480 176.468 175.900 0.146 0.000 1.154 355 Y CA 0.188 58.357 58.100 0.115 0.000 1.887 355 Y CB -2.172 36.351 38.460 0.106 0.000 1.594 355 Y HN 0.615 nan 8.280 nan 0.000 0.668 356 I N -0.012 120.712 120.570 0.257 0.000 2.634 356 I HA 0.465 4.635 4.170 0.000 0.000 0.284 356 I C 0.681 176.975 176.117 0.294 0.000 1.124 356 I CA 0.371 61.828 61.300 0.261 0.000 1.417 356 I CB 1.264 39.417 38.000 0.254 0.000 1.396 356 I HN 0.202 nan 8.210 nan 0.000 0.571 357 T N 1.982 116.677 114.554 0.235 0.000 2.885 357 T HA 0.691 5.041 4.350 0.000 0.000 0.285 357 T C -0.580 174.175 174.700 0.092 0.000 1.019 357 T CA -0.682 61.553 62.100 0.224 0.000 1.010 357 T CB 2.127 71.075 68.868 0.133 0.000 1.022 357 T HN 0.819 nan 8.240 nan 0.000 0.466 358 E N 0.848 121.087 120.200 0.065 0.000 2.367 358 E HA 0.380 4.730 4.350 0.000 0.000 0.273 358 E C -1.087 175.648 176.600 0.226 0.000 0.903 358 E CA -0.617 55.765 56.400 -0.030 0.000 0.764 358 E CB 2.083 31.535 29.700 -0.414 0.000 1.252 358 E HN 0.723 nan 8.360 nan 0.000 0.446 359 Q N 0.738 120.671 119.800 0.221 0.000 2.260 359 Q HA 0.513 4.853 4.340 0.000 0.000 0.242 359 Q C -0.507 175.700 176.000 0.345 0.000 0.932 359 Q CA -0.630 55.347 55.803 0.290 0.000 0.891 359 Q CB 1.414 30.337 28.738 0.307 0.000 1.222 359 Q HN 0.460 nan 8.270 nan 0.000 0.453 360 S N 1.198 116.997 115.700 0.165 0.000 2.584 360 S HA 0.400 4.870 4.470 0.000 0.000 0.273 360 S C -0.846 173.788 174.600 0.057 0.000 1.311 360 S CA -0.542 57.633 58.200 -0.042 0.000 1.034 360 S CB 0.499 63.588 63.200 -0.185 0.000 0.939 360 S HN 0.365 nan 8.310 nan 0.000 0.513 361 L N 4.462 125.690 121.223 0.008 0.000 2.406 361 L HA 0.687 5.027 4.340 0.000 0.000 0.272 361 L C -0.749 175.967 176.870 -0.256 0.000 0.980 361 L CA -0.687 54.055 54.840 -0.163 0.000 0.831 361 L CB 1.480 43.437 42.059 -0.170 0.000 1.253 361 L HN 0.480 nan 8.230 nan 0.000 0.406 362 V N 2.133 121.811 119.914 -0.393 0.000 2.732 362 V HA 0.760 4.880 4.120 0.000 0.000 0.310 362 V C -0.852 175.096 176.094 -0.243 0.000 1.053 362 V CA -0.676 61.321 62.300 -0.506 0.000 0.957 362 V CB 1.650 32.992 31.823 -0.802 0.000 1.018 362 V HN 0.820 nan 8.190 nan 0.000 0.452 363 F N 4.012 123.745 119.950 -0.361 0.000 2.619 363 F HA 0.853 5.380 4.527 0.000 0.000 0.308 363 F C -0.472 175.195 175.800 -0.222 0.000 1.097 363 F CA -0.255 57.615 58.000 -0.216 0.000 0.953 363 F CB 1.492 40.408 39.000 -0.140 0.000 1.287 363 F HN 1.205 nan 8.300 nan 0.000 0.446 364 C N 2.659 121.249 119.300 -1.182 0.000 3.321 364 C HA 0.799 5.259 4.460 0.000 0.000 0.329 364 C C -1.651 172.743 174.990 -0.993 0.000 1.394 364 C CA -0.707 57.626 59.018 -1.142 0.000 1.291 364 C CB 1.603 28.934 27.740 -0.682 0.000 1.606 364 C HN 1.000 nan 8.230 nan 0.000 0.463 365 Q N 0.577 120.028 119.800 -0.582 0.000 2.351 365 Q HA 0.789 5.130 4.340 0.000 0.000 0.273 365 Q C -0.360 175.649 176.000 0.015 0.000 1.077 365 Q CA -0.256 55.442 55.803 -0.175 0.000 0.843 365 Q CB 2.639 31.274 28.738 -0.173 0.000 1.367 365 Q HN 0.935 nan 8.270 nan 0.000 0.449 366 T N -2.565 112.075 114.554 0.143 0.000 2.924 366 T HA 0.721 5.071 4.350 0.000 0.000 0.291 366 T C -0.604 174.140 174.700 0.072 0.000 1.045 366 T CA -0.737 61.422 62.100 0.099 0.000 1.015 366 T CB 1.234 70.184 68.868 0.137 0.000 1.103 366 T HN 0.263 nan 8.240 nan 0.000 0.496 367 V N 2.517 122.443 119.914 0.020 0.000 2.409 367 V HA 0.416 4.536 4.120 0.000 0.000 0.291 367 V C 0.189 176.284 176.094 0.001 0.000 1.020 367 V CA -0.925 61.379 62.300 0.007 0.000 0.848 367 V CB 1.317 33.135 31.823 -0.009 0.000 0.990 367 V HN 1.019 nan 8.190 nan 0.000 0.430 368 M N 4.587 124.194 119.600 0.012 0.000 2.250 368 M HA 0.115 4.595 4.480 0.000 0.000 0.337 368 M C 0.870 177.168 176.300 -0.003 0.000 1.161 368 M CA 0.708 56.017 55.300 0.016 0.000 1.088 368 M CB 0.690 33.298 32.600 0.013 0.000 1.639 368 M HN 0.925 nan 8.290 nan 0.000 0.447 369 S N 2.469 118.166 115.700 -0.006 0.000 2.568 369 S HA 0.066 4.536 4.470 0.000 0.000 0.282 369 S C 1.003 175.599 174.600 -0.007 0.000 1.338 369 S CA -0.101 58.087 58.200 -0.019 0.000 1.045 369 S CB 0.520 63.705 63.200 -0.025 0.000 0.873 369 S HN 0.808 nan 8.310 nan 0.000 0.516 370 T N 2.352 116.899 114.554 -0.012 0.000 2.699 370 T HA -0.163 4.187 4.350 0.000 0.000 0.268 370 T C 1.613 176.316 174.700 0.005 0.000 1.036 370 T CA 2.093 64.191 62.100 -0.003 0.000 1.147 370 T CB -0.523 68.341 68.868 -0.007 0.000 0.862 370 T HN 0.803 nan 8.240 nan 0.000 0.446 371 E N 0.688 120.888 120.200 -0.000 0.000 2.077 371 E HA -0.068 4.282 4.350 0.000 0.000 0.193 371 E C 2.278 178.892 176.600 0.023 0.000 0.989 371 E CA 0.879 57.283 56.400 0.006 0.000 0.800 371 E CB -0.327 29.370 29.700 -0.005 0.000 0.746 371 E HN 0.418 nan 8.360 nan 0.000 0.452 372 L N 0.797 122.036 121.223 0.026 0.000 2.046 372 L HA -0.194 4.147 4.340 0.000 0.000 0.208 372 L C 2.417 179.323 176.870 0.061 0.000 1.077 372 L CA 0.568 55.438 54.840 0.049 0.000 0.747 372 L CB -0.268 41.818 42.059 0.046 0.000 0.896 372 L HN 0.201 nan 8.230 nan 0.000 0.432 373 I N -0.194 120.398 120.570 0.037 0.000 2.202 373 I HA -0.269 3.901 4.170 0.000 0.000 0.242 373 I C 2.162 178.308 176.117 0.048 0.000 1.091 373 I CA 1.444 62.763 61.300 0.031 0.000 1.368 373 I CB -1.151 36.856 38.000 0.012 0.000 1.058 373 I HN 0.272 nan 8.210 nan 0.000 0.410 374 D N 0.909 121.336 120.400 0.045 0.000 2.123 374 D HA -0.155 4.485 4.640 0.000 0.000 0.196 374 D C 2.383 178.728 176.300 0.076 0.000 0.992 374 D CA 1.808 55.839 54.000 0.050 0.000 0.833 374 D CB -0.142 40.678 40.800 0.033 0.000 0.954 374 D HN 0.382 nan 8.370 nan 0.000 0.455 375 S N 0.015 115.770 115.700 0.091 0.000 2.399 375 S HA -0.127 4.343 4.470 0.000 0.000 0.231 375 S C 2.215 176.960 174.600 0.241 0.000 1.022 375 S CA 0.901 59.188 58.200 0.145 0.000 0.983 375 S CB -0.646 62.639 63.200 0.142 0.000 0.803 375 S HN 0.101 nan 8.310 nan 0.000 0.480 376 V N 3.122 123.161 119.914 0.208 0.000 2.380 376 V HA -0.197 3.923 4.120 0.000 0.000 0.251 376 V C 2.169 178.424 176.094 0.268 0.000 1.063 376 V CA 2.229 64.694 62.300 0.275 0.000 1.055 376 V CB -0.908 30.974 31.823 0.100 0.000 0.657 376 V HN 0.839 nan 8.190 nan 0.000 0.455 377 K N 0.162 120.661 120.400 0.166 0.000 2.514 377 K HA 0.199 4.519 4.320 0.000 0.000 0.207 377 K C 1.495 178.155 176.600 0.100 0.000 1.035 377 K CA 0.655 57.020 56.287 0.130 0.000 1.113 377 K CB 0.245 32.803 32.500 0.096 0.000 0.846 377 K HN 0.411 nan 8.250 nan 0.000 0.491 378 S N 0.570 116.336 115.700 0.110 0.000 2.442 378 S HA -0.152 4.318 4.470 0.000 0.000 0.236 378 S C 0.908 175.509 174.600 0.001 0.000 1.007 378 S CA 1.211 59.434 58.200 0.038 0.000 0.965 378 S CB -0.220 62.979 63.200 -0.002 0.000 0.773 378 S HN 0.299 nan 8.310 nan 0.000 0.504 379 D N 0.685 121.090 120.400 0.008 0.000 2.350 379 D HA 0.216 4.856 4.640 0.000 0.000 0.213 379 D C 0.274 176.602 176.300 0.047 0.000 1.031 379 D CA 0.283 54.277 54.000 -0.010 0.000 0.861 379 D CB -0.055 40.711 40.800 -0.055 0.000 0.926 379 D HN 0.361 nan 8.370 nan 0.000 0.520 380 M N 0.586 120.219 119.600 0.055 0.000 2.233 380 M HA 0.175 4.655 4.480 0.000 0.000 0.350 380 M C 0.298 176.624 176.300 0.043 0.000 1.176 380 M CA 0.258 55.600 55.300 0.071 0.000 1.150 380 M CB 0.714 33.352 32.600 0.063 0.000 1.530 380 M HN -0.304 nan 8.290 nan 0.000 0.459 381 T N 4.497 119.072 114.554 0.034 0.000 2.749 381 T HA 0.660 5.010 4.350 0.000 0.000 0.287 381 T C 0.053 174.732 174.700 -0.034 0.000 0.970 381 T CA -0.353 61.748 62.100 0.001 0.000 0.980 381 T CB 0.445 69.311 68.868 -0.004 0.000 0.924 381 T HN 0.421 nan 8.240 nan 0.000 0.456 382 I N 3.323 123.872 120.570 -0.035 0.000 2.389 382 I HA 0.447 4.617 4.170 0.000 0.000 0.288 382 I C 0.383 176.461 176.117 -0.065 0.000 0.999 382 I CA -0.681 60.572 61.300 -0.078 0.000 1.129 382 I CB 1.326 39.322 38.000 -0.007 0.000 1.288 382 I HN 0.205 nan 8.210 nan 0.000 0.444 383 R N 4.755 125.172 120.500 -0.139 0.000 2.360 383 R HA 0.628 4.968 4.340 0.000 0.000 0.318 383 R C 0.210 176.498 176.300 -0.020 0.000 0.950 383 R CA 0.193 56.248 56.100 -0.075 0.000 0.837 383 R CB 1.600 31.843 30.300 -0.095 0.000 1.165 383 R HN 0.943 nan 8.270 nan 0.000 0.458 384 G N 2.173 111.010 108.800 0.061 0.000 2.488 384 G HA2 -0.280 3.680 3.960 0.000 0.000 0.237 384 G HA3 -0.280 3.680 3.960 0.000 0.000 0.237 384 G C -0.984 174.048 174.900 0.220 0.000 1.209 384 G CA -0.123 45.053 45.100 0.127 0.000 0.929 384 G HN 0.643 nan 8.290 nan 0.000 0.578 385 T N -0.815 113.889 114.554 0.250 0.000 2.952 385 T HA 0.653 5.003 4.350 0.000 0.000 0.305 385 T C -3.180 171.489 174.700 -0.051 0.000 1.064 385 T CA -1.074 61.112 62.100 0.143 0.000 1.008 385 T CB 2.545 71.443 68.868 0.051 0.000 1.078 385 T HN 0.551 nan 8.240 nan 0.000 0.459 386 P HA 0.140 nan 4.420 nan 0.000 0.261 386 P C 1.316 178.412 177.300 -0.341 0.000 1.158 386 P CA 1.687 64.323 63.100 -0.773 0.000 0.758 386 P CB -0.035 31.344 31.700 -0.536 0.000 0.763 387 G N 2.822 111.448 108.800 -0.290 0.000 2.189 387 G HA2 -0.301 3.659 3.960 0.000 0.000 0.267 387 G HA3 -0.301 3.659 3.960 0.000 0.000 0.267 387 G C 0.045 174.920 174.900 -0.042 0.000 0.975 387 G CA 0.538 45.569 45.100 -0.114 0.000 0.644 387 G HN 0.660 nan 8.290 nan 0.000 0.537 388 E N 0.215 120.402 120.200 -0.022 0.000 2.674 388 E HA 0.619 4.969 4.350 0.000 0.000 0.240 388 E C 1.290 177.924 176.600 0.056 0.000 1.213 388 E CA -0.391 56.020 56.400 0.017 0.000 1.357 388 E CB 0.734 30.443 29.700 0.014 0.000 1.467 388 E HN 0.829 nan 8.360 nan 0.000 0.448 389 L N 1.087 122.346 121.223 0.061 0.000 3.832 389 L HA -0.350 3.990 4.340 0.000 0.000 0.359 389 L C 1.379 178.290 176.870 0.068 0.000 2.750 389 L CA 3.010 57.884 54.840 0.056 0.000 2.342 389 L CB -1.804 40.276 42.059 0.034 0.000 2.206 389 L HN 0.633 nan 8.230 nan 0.000 0.725 390 T N -2.878 111.721 114.554 0.075 0.000 3.235 390 T HA 0.176 4.526 4.350 0.000 0.000 0.251 390 T C 0.266 175.025 174.700 0.098 0.000 1.060 390 T CA 0.301 62.440 62.100 0.065 0.000 0.949 390 T CB -0.682 68.215 68.868 0.048 0.000 1.020 390 T HN 0.380 nan 8.240 nan 0.000 0.564 391 Y N 2.357 122.657 120.300 0.000 0.000 2.359 391 Y HA 0.502 5.052 4.550 0.000 0.000 0.334 391 Y C 0.010 175.912 175.900 0.003 0.000 1.058 391 Y CA -0.954 57.148 58.100 0.002 0.000 1.244 391 Y CB 0.738 39.198 38.460 0.000 0.000 1.187 391 Y HN 0.202 nan 8.280 nan 0.000 0.510 392 S N 5.414 120.805 115.700 -0.514 0.000 2.619 392 S HA 0.710 5.180 4.470 0.000 0.000 0.280 392 S C -2.018 172.278 174.600 -0.507 0.000 1.150 392 S CA -0.673 57.293 58.200 -0.391 0.000 0.978 392 S CB 0.712 63.806 63.200 -0.176 0.000 1.041 392 S HN 0.466 nan 8.310 nan 0.000 0.485 393 V N 4.772 124.469 119.914 -0.363 0.000 2.407 393 V HA 0.698 4.818 4.120 0.000 0.000 0.291 393 V C 0.193 176.252 176.094 -0.058 0.000 1.018 393 V CA -0.519 61.658 62.300 -0.205 0.000 0.842 393 V CB 1.217 32.961 31.823 -0.132 0.000 0.996 393 V HN 1.004 nan 8.190 nan 0.000 0.426 394 T N 1.680 116.225 114.554 -0.015 0.000 2.901 394 T HA 0.887 5.237 4.350 0.000 0.000 0.293 394 T C -0.937 173.849 174.700 0.143 0.000 1.084 394 T CA -0.754 61.366 62.100 0.033 0.000 1.008 394 T CB 2.370 71.214 68.868 -0.041 0.000 1.170 394 T HN 0.786 nan 8.240 nan 0.000 0.509 395 Y N -1.839 118.451 120.300 -0.017 0.000 2.644 395 Y HA 0.774 5.324 4.550 0.000 0.000 0.338 395 Y C -0.906 174.985 175.900 -0.015 0.000 1.119 395 Y CA -1.328 56.764 58.100 -0.014 0.000 1.060 395 Y CB 0.873 39.331 38.460 -0.002 0.000 1.294 395 Y HN 0.627 nan 8.280 nan 0.000 0.472 396 T N 4.135 118.686 114.554 -0.005 0.000 2.781 396 T HA 0.390 4.740 4.350 0.000 0.000 0.305 396 T C -2.826 171.877 174.700 0.004 0.000 1.001 396 T CA -1.363 60.683 62.100 -0.090 0.000 0.950 396 T CB 0.587 69.441 68.868 -0.024 0.000 0.955 396 T HN 0.354 nan 8.240 nan 0.000 0.471 397 P HA 0.205 nan 4.420 nan 0.000 0.263 397 P C 1.130 178.468 177.300 0.064 0.000 1.195 397 P CA 0.722 63.863 63.100 0.068 0.000 0.762 397 P CB 0.331 32.012 31.700 -0.031 0.000 0.799 398 G N 2.328 111.182 108.800 0.091 0.000 2.189 398 G HA2 -0.261 3.699 3.960 0.000 0.000 0.267 398 G HA3 -0.261 3.699 3.960 0.000 0.000 0.267 398 G C 0.512 175.423 174.900 0.019 0.000 0.975 398 G CA 0.048 45.174 45.100 0.043 0.000 0.644 398 G HN 0.867 nan 8.290 nan 0.000 0.537 399 A N 0.569 123.403 122.820 0.022 0.000 2.565 399 A HA 0.559 4.879 4.320 0.000 0.000 0.237 399 A C 1.850 179.422 177.584 -0.019 0.000 1.053 399 A CA 1.461 53.498 52.037 0.000 0.000 0.755 399 A CB 0.219 19.223 19.000 0.006 0.000 0.980 399 A HN 1.831 nan 8.150 nan 0.000 0.506 400 S N 1.541 117.227 115.700 -0.024 0.000 2.419 400 S HA -0.159 4.311 4.470 0.000 0.000 0.233 400 S C 1.476 176.044 174.600 -0.053 0.000 1.016 400 S CA 1.798 59.977 58.200 -0.035 0.000 0.974 400 S CB -0.837 62.346 63.200 -0.029 0.000 0.786 400 S HN 1.257 nan 8.310 nan 0.000 0.492 401 T N -0.875 113.648 114.554 -0.053 0.000 3.113 401 T HA 0.197 4.547 4.350 0.000 0.000 0.256 401 T C 0.475 175.113 174.700 -0.103 0.000 1.131 401 T CA -0.353 61.705 62.100 -0.070 0.000 1.074 401 T CB -0.641 68.195 68.868 -0.054 0.000 0.944 401 T HN 0.226 nan 8.240 nan 0.000 0.516 402 N N 2.433 121.071 118.700 -0.103 0.000 2.458 402 N HA 0.126 4.866 4.740 0.000 0.000 0.258 402 N C 1.005 176.350 175.510 -0.274 0.000 1.219 402 N CA -0.073 52.883 53.050 -0.157 0.000 0.902 402 N CB 0.878 39.298 38.487 -0.112 0.000 1.076 402 N HN 0.281 nan 8.380 nan 0.000 0.455 403 K N 1.230 121.361 120.400 -0.449 0.000 2.365 403 K HA 0.031 4.351 4.320 0.000 0.000 0.197 403 K C -0.093 175.905 176.600 -1.003 0.000 1.042 403 K CA 0.701 56.561 56.287 -0.712 0.000 0.987 403 K CB 0.168 32.144 32.500 -0.873 0.000 0.779 403 K HN 0.552 nan 8.250 nan 0.000 0.484 404 H N 0.327 119.067 119.070 -0.550 0.000 2.679 404 H HA 0.307 4.863 4.556 0.000 0.000 0.367 404 H C -2.367 172.629 175.328 -0.553 0.000 1.162 404 H CA -2.704 52.849 56.048 -0.825 0.000 1.181 404 H CB 1.335 30.174 29.762 -1.538 0.000 1.693 404 H HN -0.129 nan 8.280 nan 0.000 0.538 405 P HA -0.031 nan 4.420 nan 0.000 0.270 405 P C 0.397 177.514 177.300 -0.304 0.000 1.223 405 P CA -0.151 62.764 63.100 -0.309 0.000 0.785 405 P CB 1.343 32.838 31.700 -0.342 0.000 0.923 406 D N 0.681 121.036 120.400 -0.075 0.000 2.149 406 D HA -0.150 4.490 4.640 0.000 0.000 0.198 406 D C 1.958 178.288 176.300 0.049 0.000 0.990 406 D CA 1.297 55.326 54.000 0.048 0.000 0.839 406 D CB -0.491 40.428 40.800 0.198 0.000 0.948 406 D HN 0.627 nan 8.370 nan 0.000 0.460 407 W N 0.294 121.669 121.300 0.125 0.000 2.350 407 W HA -0.167 4.493 4.660 0.000 0.000 0.289 407 W C 1.897 178.494 176.519 0.131 0.000 1.215 407 W CA 0.294 57.710 57.345 0.117 0.000 1.236 407 W CB -1.273 28.250 29.460 0.104 0.000 1.130 407 W HN 0.092 nan 8.180 nan 0.000 0.541 408 W N 3.260 124.160 121.300 -0.667 0.000 2.488 408 W HA -0.059 4.601 4.660 0.000 0.000 0.304 408 W C 1.881 178.143 176.519 -0.430 0.000 1.175 408 W CA 1.286 58.187 57.345 -0.742 0.000 1.365 408 W CB -1.070 27.669 29.460 -1.202 0.000 1.131 408 W HN -0.178 nan 8.180 nan 0.000 0.520 409 N N 1.222 119.851 118.700 -0.119 0.000 2.223 409 N HA -0.202 4.538 4.740 0.000 0.000 0.185 409 N C 1.483 176.697 175.510 -0.492 0.000 1.016 409 N CA 1.933 54.702 53.050 -0.468 0.000 0.863 409 N CB -0.579 37.207 38.487 -1.168 0.000 0.983 409 N HN 0.240 nan 8.380 nan 0.000 0.429 410 E N 1.561 121.637 120.200 -0.208 0.000 2.047 410 E HA -0.060 4.290 4.350 0.000 0.000 0.191 410 E C 1.592 178.251 176.600 0.098 0.000 0.987 410 E CA 1.283 57.756 56.400 0.122 0.000 0.799 410 E CB 0.037 29.874 29.700 0.228 0.000 0.752 410 E HN 0.235 nan 8.360 nan 0.000 0.449 411 K N -0.204 120.240 120.400 0.074 0.000 2.063 411 K HA -0.111 4.209 4.320 0.000 0.000 0.208 411 K C 2.161 178.775 176.600 0.024 0.000 1.048 411 K CA 1.475 57.796 56.287 0.055 0.000 0.928 411 K CB -0.249 32.279 32.500 0.047 0.000 0.713 411 K HN 0.071 nan 8.250 nan 0.000 0.442 412 V N 2.093 121.992 119.914 -0.024 0.000 2.307 412 V HA -0.250 3.870 4.120 0.000 0.000 0.245 412 V C 2.473 178.616 176.094 0.080 0.000 1.045 412 V CA 1.715 64.018 62.300 0.004 0.000 1.024 412 V CB -0.447 31.379 31.823 0.004 0.000 0.651 412 V HN 0.360 nan 8.190 nan 0.000 0.449 413 K N 0.206 120.651 120.400 0.075 0.000 2.057 413 K HA -0.233 4.087 4.320 0.000 0.000 0.207 413 K C 1.979 178.647 176.600 0.114 0.000 1.049 413 K CA 1.890 58.251 56.287 0.122 0.000 0.931 413 K CB -0.220 32.419 32.500 0.231 0.000 0.714 413 K HN 0.424 nan 8.250 nan 0.000 0.440 414 N N 0.398 119.169 118.700 0.118 0.000 2.188 414 N HA -0.176 4.564 4.740 0.000 0.000 0.184 414 N C 1.746 177.313 175.510 0.095 0.000 1.018 414 N CA 1.329 54.438 53.050 0.098 0.000 0.858 414 N CB -0.538 38.011 38.487 0.103 0.000 0.989 414 N HN 0.448 nan 8.380 nan 0.000 0.426 415 H N 0.579 119.672 119.070 0.038 0.000 2.326 415 H HA 0.118 4.675 4.556 0.000 0.000 0.301 415 H C 2.027 177.392 175.328 0.062 0.000 1.081 415 H CA 1.642 57.717 56.048 0.044 0.000 1.334 415 H CB -0.059 29.654 29.762 -0.081 0.000 1.385 415 H HN 0.087 nan 8.280 nan 0.000 0.504 416 M N -0.773 118.842 119.600 0.025 0.000 2.229 416 M HA -0.126 4.354 4.480 0.000 0.000 0.264 416 M C 1.765 178.114 176.300 0.081 0.000 1.063 416 M CA 1.074 56.396 55.300 0.038 0.000 1.114 416 M CB 0.040 32.734 32.600 0.156 0.000 1.387 416 M HN 0.339 nan 8.290 nan 0.000 0.420 417 M N -0.317 119.318 119.600 0.058 0.000 2.236 417 M HA -0.081 4.399 4.480 0.000 0.000 0.266 417 M C 2.011 178.290 176.300 -0.035 0.000 1.070 417 M CA 1.426 56.764 55.300 0.064 0.000 1.137 417 M CB -0.974 31.649 32.600 0.039 0.000 1.378 417 M HN 0.270 nan 8.290 nan 0.000 0.426 418 Q N -0.481 119.230 119.800 -0.148 0.000 2.311 418 Q HA -0.038 4.302 4.340 0.000 0.000 0.203 418 Q C 0.082 175.740 176.000 -0.570 0.000 0.954 418 Q CA 0.897 56.486 55.803 -0.356 0.000 0.885 418 Q CB 0.285 28.759 28.738 -0.440 0.000 0.963 418 Q HN 0.576 nan 8.270 nan 0.000 0.471 419 H N 0.214 119.190 119.070 -0.157 0.000 2.380 419 H HA 0.239 4.795 4.556 0.000 0.000 0.231 419 H C 0.298 175.524 175.328 -0.170 0.000 1.415 419 H CA -0.094 55.858 56.048 -0.160 0.000 1.433 419 H CB 0.513 30.109 29.762 -0.276 0.000 1.544 419 H HN 0.214 nan 8.280 nan 0.000 0.503 420 Q N 0.607 120.382 119.800 -0.041 0.000 2.435 420 Q HA -0.089 4.251 4.340 0.000 0.000 0.207 420 Q C 1.857 177.792 176.000 -0.110 0.000 0.956 420 Q CA 0.615 56.349 55.803 -0.115 0.000 0.917 420 Q CB 0.504 29.139 28.738 -0.172 0.000 0.997 420 Q HN 0.496 nan 8.270 nan 0.000 0.497 421 E N 1.341 121.528 120.200 -0.020 0.000 2.427 421 E HA -0.112 4.238 4.350 0.000 0.000 0.196 421 E C -0.479 176.146 176.600 0.041 0.000 1.028 421 E CA 0.514 56.917 56.400 0.005 0.000 0.864 421 E CB 0.085 29.808 29.700 0.038 0.000 0.813 421 E HN 0.143 nan 8.360 nan 0.000 0.514 422 D N 1.948 122.385 120.400 0.062 0.000 2.274 422 D HA 0.137 4.777 4.640 0.000 0.000 0.239 422 D C -1.514 174.835 176.300 0.082 0.000 1.104 422 D CA -2.138 51.931 54.000 0.116 0.000 0.840 422 D CB 1.604 42.505 40.800 0.169 0.000 1.100 422 D HN -0.144 nan 8.370 nan 0.000 0.477 423 P HA 0.061 nan 4.420 nan 0.000 0.245 423 P C -0.159 177.181 177.300 0.067 0.000 1.212 423 P CA 0.210 63.345 63.100 0.058 0.000 0.774 423 P CB 0.444 32.170 31.700 0.043 0.000 0.999 424 L N 1.681 122.957 121.223 0.087 0.000 2.331 424 L HA 0.362 4.702 4.340 0.000 0.000 0.275 424 L C -1.326 175.575 176.870 0.053 0.000 1.022 424 L CA -2.242 52.623 54.840 0.041 0.000 0.812 424 L CB 2.350 44.403 42.059 -0.010 0.000 1.257 424 L HN -0.290 nan 8.230 nan 0.000 0.435 425 P HA 0.088 nan 4.420 nan 0.000 0.251 425 P C 0.232 177.405 177.300 -0.212 0.000 1.223 425 P CA 0.467 63.566 63.100 -0.002 0.000 0.796 425 P CB 0.402 32.115 31.700 0.021 0.000 1.068 426 I N 2.259 122.619 120.570 -0.350 0.000 2.452 426 I HA 0.175 4.345 4.170 0.000 0.000 0.287 426 I C -2.132 173.488 176.117 -0.827 0.000 1.079 426 I CA -2.455 58.569 61.300 -0.460 0.000 1.387 426 I CB 0.223 38.043 38.000 -0.301 0.000 1.404 426 I HN -0.242 nan 8.210 nan 0.000 0.522 427 P HA -0.039 nan 4.420 nan 0.000 0.266 427 P C 0.328 177.378 177.300 -0.417 0.000 1.193 427 P CA 0.122 62.835 63.100 -0.645 0.000 0.770 427 P CB 0.341 31.910 31.700 -0.219 0.000 0.836 428 F N 0.928 120.784 119.950 -0.157 0.000 2.161 428 F HA -0.130 4.397 4.527 0.000 0.000 0.300 428 F C 1.764 177.530 175.800 -0.056 0.000 1.089 428 F CA 1.587 59.530 58.000 -0.096 0.000 1.282 428 F CB -0.789 38.167 39.000 -0.073 0.000 1.010 428 F HN 0.410 nan 8.300 nan 0.000 0.485 429 E N -0.417 119.868 120.200 0.142 0.000 2.465 429 E HA -0.002 4.348 4.350 0.000 0.000 0.195 429 E C -0.215 176.409 176.600 0.040 0.000 1.028 429 E CA -0.222 56.236 56.400 0.096 0.000 0.899 429 E CB -0.145 29.618 29.700 0.104 0.000 1.032 429 E HN 0.176 nan 8.360 nan 0.000 0.468 430 D N 2.891 123.289 120.400 -0.003 0.000 2.520 430 D HA -0.002 4.638 4.640 0.000 0.000 0.243 430 D C -2.296 174.018 176.300 0.024 0.000 1.160 430 D CA -1.138 52.847 54.000 -0.025 0.000 0.877 430 D CB 0.740 41.482 40.800 -0.098 0.000 1.150 430 D HN -0.101 nan 8.370 nan 0.000 0.494 431 P HA 0.064 nan 4.420 nan 0.000 0.272 431 P C -0.491 176.925 177.300 0.193 0.000 1.240 431 P CA -0.370 62.819 63.100 0.148 0.000 0.791 431 P CB 0.399 32.181 31.700 0.137 0.000 0.978 432 E N 1.749 122.085 120.200 0.227 0.000 2.436 432 E HA 0.051 4.401 4.350 0.000 0.000 0.262 432 E C -2.079 174.566 176.600 0.075 0.000 1.063 432 E CA -1.366 55.094 56.400 0.100 0.000 0.944 432 E CB -1.015 28.700 29.700 0.025 0.000 0.950 432 E HN 0.349 nan 8.360 nan 0.000 0.444 433 P HA 0.014 nan 4.420 nan 0.000 0.271 433 P C -0.401 176.899 177.300 -0.001 0.000 1.218 433 P CA 0.133 63.294 63.100 0.102 0.000 0.780 433 P CB 0.534 32.236 31.700 0.003 0.000 0.901 434 Q N 1.007 120.906 119.800 0.165 0.000 3.394 434 Q HA 0.302 4.642 4.340 0.000 0.000 0.285 434 Q C -0.953 175.132 176.000 0.143 0.000 0.866 434 Q CA -0.346 55.425 55.803 -0.054 0.000 0.844 434 Q CB 1.161 29.591 28.738 -0.514 0.000 1.472 434 Q HN 0.192 nan 8.270 nan 0.000 0.401 435 V N 0.622 120.576 119.914 0.066 0.000 2.547 435 V HA 0.718 4.838 4.120 0.000 0.000 0.299 435 V C 0.170 176.283 176.094 0.032 0.000 1.040 435 V CA -0.379 61.961 62.300 0.066 0.000 0.913 435 V CB 2.016 33.810 31.823 -0.048 0.000 0.992 435 V HN 0.442 nan 8.190 nan 0.000 0.449 436 T N 1.688 116.298 114.554 0.093 0.000 2.923 436 T HA 0.465 4.815 4.350 0.000 0.000 0.311 436 T C -0.939 173.699 174.700 -0.104 0.000 1.183 436 T CA -0.319 61.778 62.100 -0.005 0.000 1.020 436 T CB 1.845 70.698 68.868 -0.024 0.000 1.165 436 T HN 0.836 nan 8.240 nan 0.000 0.482 437 T N 4.843 119.161 114.554 -0.393 0.000 2.772 437 T HA 0.595 4.945 4.350 0.000 0.000 0.288 437 T C 0.040 174.579 174.700 -0.267 0.000 0.994 437 T CA -0.620 61.087 62.100 -0.656 0.000 0.951 437 T CB -0.169 67.791 68.868 -1.512 0.000 0.933 437 T HN 0.529 nan 8.240 nan 0.000 0.447 438 L N 4.342 125.499 121.223 -0.110 0.000 2.473 438 L HA 0.357 4.697 4.340 0.000 0.000 0.268 438 L C 0.810 177.691 176.870 0.019 0.000 1.215 438 L CA -0.854 54.004 54.840 0.030 0.000 0.823 438 L CB 0.181 42.252 42.059 0.021 0.000 1.099 438 L HN 0.626 nan 8.230 nan 0.000 0.483 439 F N 2.611 122.487 119.950 -0.125 0.000 2.623 439 F HA -0.049 4.478 4.527 0.000 0.000 0.386 439 F C 0.260 175.805 175.800 -0.426 0.000 1.068 439 F CA 0.505 58.339 58.000 -0.277 0.000 1.265 439 F CB 0.154 39.041 39.000 -0.189 0.000 1.026 439 F HN 0.377 nan 8.300 nan 0.000 0.568 440 Q N 6.397 125.691 119.800 -0.843 0.000 2.456 440 Q HA 0.258 4.598 4.340 0.000 0.000 0.284 440 Q C -2.044 173.488 176.000 -0.779 0.000 1.061 440 Q CA -1.790 53.620 55.803 -0.655 0.000 0.799 440 Q CB 1.359 29.619 28.738 -0.797 0.000 1.445 440 Q HN 0.254 nan 8.270 nan 0.000 0.411 441 P HA -0.221 nan 4.420 nan 0.000 0.216 441 P C 1.227 178.294 177.300 -0.388 0.000 1.154 441 P CA 2.273 65.186 63.100 -0.312 0.000 0.865 441 P CB 0.245 31.858 31.700 -0.145 0.000 0.789 442 S N -1.661 113.817 115.700 -0.370 0.000 2.522 442 S HA -0.099 4.371 4.470 0.000 0.000 0.227 442 S C 0.514 174.909 174.600 -0.342 0.000 0.986 442 S CA 0.214 58.264 58.200 -0.249 0.000 0.929 442 S CB -1.207 61.956 63.200 -0.062 0.000 0.769 442 S HN 0.417 nan 8.310 nan 0.000 0.529 443 H N -1.115 117.501 119.070 -0.755 0.000 2.538 443 H HA 0.476 5.032 4.556 0.000 0.000 0.239 443 H C -3.233 170.908 175.328 -1.978 0.000 1.401 443 H CA -1.845 53.360 56.048 -1.405 0.000 1.499 443 H CB 0.425 29.706 29.762 -0.802 0.000 1.624 443 H HN 0.075 nan 8.280 nan 0.000 0.524 444 P HA 0.079 nan 4.420 nan 0.000 0.230 444 P C -1.283 175.374 177.300 -1.070 0.000 1.791 444 P CA 0.209 62.119 63.100 -1.983 0.000 1.020 444 P CB -1.015 30.057 31.700 -1.048 0.000 1.977 445 W N 0.060 121.068 121.300 -0.486 0.000 3.213 445 W HA 0.476 5.136 4.660 0.000 0.000 0.318 445 W C -0.795 175.815 176.519 0.152 0.000 1.248 445 W CA -1.243 56.131 57.345 0.050 0.000 1.187 445 W CB 0.019 29.516 29.460 0.062 0.000 1.403 445 W HN 0.037 nan 8.180 nan 0.000 0.556 446 H N 1.234 120.568 119.070 0.439 0.000 2.551 446 H HA 0.677 5.233 4.556 0.000 0.000 0.358 446 H C -0.069 175.416 175.328 0.263 0.000 1.151 446 H CA 0.684 56.892 56.048 0.268 0.000 1.374 446 H CB 1.373 31.230 29.762 0.158 0.000 1.473 446 H HN 0.570 nan 8.280 nan 0.000 0.574 447 T N 2.134 116.328 114.554 -0.599 0.000 2.893 447 T HA 0.515 4.865 4.350 0.000 0.000 0.293 447 T C -0.890 173.504 174.700 -0.509 0.000 1.027 447 T CA -1.129 60.640 62.100 -0.552 0.000 0.988 447 T CB 1.681 70.110 68.868 -0.731 0.000 1.043 447 T HN 0.684 nan 8.240 nan 0.000 0.461 448 Q N 1.846 121.548 119.800 -0.163 0.000 2.285 448 Q HA 0.548 4.888 4.340 0.000 0.000 0.269 448 Q C -1.285 174.627 176.000 -0.146 0.000 1.030 448 Q CA -0.634 55.005 55.803 -0.273 0.000 0.788 448 Q CB 2.669 31.090 28.738 -0.529 0.000 1.266 448 Q HN 0.719 nan 8.270 nan 0.000 0.438 449 I N 3.516 123.963 120.570 -0.205 0.000 2.495 449 I HA 0.388 4.558 4.170 0.000 0.000 0.277 449 I C -0.447 175.569 176.117 -0.169 0.000 1.045 449 I CA -0.294 60.761 61.300 -0.408 0.000 1.135 449 I CB 0.490 38.099 38.000 -0.650 0.000 1.241 449 I HN 0.762 nan 8.210 nan 0.000 0.469 450 H N 3.805 122.696 119.070 -0.299 0.000 2.888 450 H HA 0.647 5.203 4.556 0.000 0.000 0.267 450 H C -1.305 173.949 175.328 -0.122 0.000 1.482 450 H CA -1.347 54.595 56.048 -0.178 0.000 1.165 450 H CB 1.383 31.061 29.762 -0.139 0.000 1.866 450 H HN 0.130 nan 8.280 nan 0.000 0.599 451 R N 1.386 121.699 120.500 -0.312 0.000 2.532 451 R HA 0.279 4.619 4.340 0.000 0.000 0.297 451 R C -1.511 174.566 176.300 -0.372 0.000 0.984 451 R CA -0.615 55.294 56.100 -0.317 0.000 0.884 451 R CB 1.758 31.999 30.300 -0.099 0.000 1.182 451 R HN 0.878 nan 8.270 nan 0.000 0.442 452 D N 0.749 120.932 120.400 -0.362 0.000 2.553 452 D HA 0.489 5.129 4.640 0.000 0.000 0.249 452 D C -0.340 175.948 176.300 -0.020 0.000 1.062 452 D CA -0.868 53.025 54.000 -0.179 0.000 1.085 452 D CB 0.534 41.244 40.800 -0.150 0.000 1.350 452 D HN 0.377 nan 8.370 nan 0.000 0.575 453 A N -0.466 122.361 122.820 0.012 0.000 2.498 453 A HA 0.426 4.746 4.320 0.000 0.000 0.239 453 A C -0.877 176.781 177.584 0.122 0.000 1.068 453 A CA 0.041 52.133 52.037 0.092 0.000 0.766 453 A CB -0.499 18.578 19.000 0.128 0.000 1.003 453 A HN 0.464 nan 8.150 nan 0.000 0.497 454 F N 1.366 121.260 119.950 -0.094 0.000 2.608 454 F HA 0.477 5.004 4.527 0.000 0.000 0.309 454 F C 0.246 175.863 175.800 -0.304 0.000 1.103 454 F CA -0.306 57.518 58.000 -0.294 0.000 0.954 454 F CB 2.115 40.777 39.000 -0.562 0.000 1.267 454 F HN 0.404 nan 8.300 nan 0.000 0.444 455 S N 4.789 119.968 115.700 -0.868 0.000 2.642 455 S HA 0.357 4.827 4.470 0.000 0.000 0.309 455 S C -1.086 173.219 174.600 -0.492 0.000 1.125 455 S CA -0.241 57.650 58.200 -0.515 0.000 1.055 455 S CB -0.680 62.234 63.200 -0.476 0.000 1.157 455 S HN 0.439 nan 8.310 nan 0.000 0.513 456 Y N 2.543 122.898 120.300 0.091 0.000 2.377 456 Y HA 0.390 4.940 4.550 0.000 0.000 0.330 456 Y C 1.481 177.442 175.900 0.102 0.000 1.108 456 Y CA 0.183 58.422 58.100 0.232 0.000 1.308 456 Y CB 0.470 39.080 38.460 0.250 0.000 1.216 456 Y HN 0.663 nan 8.280 nan 0.000 0.518 457 G N 1.169 110.124 108.800 0.258 0.000 2.699 457 G HA2 0.262 4.222 3.960 0.000 0.000 0.246 457 G HA3 0.262 4.222 3.960 0.000 0.000 0.246 457 G C 0.902 175.892 174.900 0.151 0.000 1.219 457 G CA -0.062 45.130 45.100 0.153 0.000 0.866 457 G HN 0.890 nan 8.290 nan 0.000 0.572 458 A N -0.110 122.767 122.820 0.095 0.000 1.902 458 A HA -0.020 4.300 4.320 0.000 0.000 0.217 458 A C 2.564 180.192 177.584 0.074 0.000 1.181 458 A CA 1.925 54.008 52.037 0.075 0.000 0.623 458 A CB -0.607 18.424 19.000 0.051 0.000 0.818 458 A HN 0.545 nan 8.150 nan 0.000 0.443 459 V N 0.060 120.020 119.914 0.077 0.000 2.358 459 V HA -0.301 3.819 4.120 0.000 0.000 0.246 459 V C 2.636 178.777 176.094 0.078 0.000 1.047 459 V CA 2.243 64.583 62.300 0.067 0.000 1.035 459 V CB -0.823 31.038 31.823 0.064 0.000 0.658 459 V HN 0.653 nan 8.190 nan 0.000 0.452 460 Q N -0.719 119.158 119.800 0.128 0.000 2.167 460 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 460 Q C 2.181 178.208 176.000 0.045 0.000 0.970 460 Q CA 1.106 56.997 55.803 0.145 0.000 0.855 460 Q CB -0.186 28.760 28.738 0.347 0.000 0.911 460 Q HN 0.653 nan 8.270 nan 0.000 0.438 461 Q N -0.101 119.738 119.800 0.065 0.000 2.500 461 Q HA -0.073 4.267 4.340 0.000 0.000 0.213 461 Q C 1.842 177.831 176.000 -0.017 0.000 0.974 461 Q CA 0.522 56.324 55.803 -0.001 0.000 0.918 461 Q CB 0.013 28.783 28.738 0.053 0.000 0.980 461 Q HN 0.182 nan 8.270 nan 0.000 0.505 462 S N -0.109 115.591 115.700 0.000 0.000 2.453 462 S HA -0.018 4.452 4.470 0.000 0.000 0.231 462 S C 0.826 175.414 174.600 -0.020 0.000 1.005 462 S CA 0.158 58.357 58.200 -0.002 0.000 0.949 462 S CB 0.251 63.458 63.200 0.011 0.000 0.774 462 S HN 0.124 nan 8.310 nan 0.000 0.510 463 I N 2.714 123.258 120.570 -0.043 0.000 2.353 463 I HA 0.268 4.438 4.170 0.000 0.000 0.293 463 I C 0.316 176.383 176.117 -0.082 0.000 0.992 463 I CA -1.063 60.205 61.300 -0.053 0.000 1.268 463 I CB 0.920 38.886 38.000 -0.058 0.000 1.387 463 I HN 0.136 nan 8.210 nan 0.000 0.478 464 D N 4.206 124.576 120.400 -0.049 0.000 2.472 464 D HA -0.075 4.565 4.640 0.000 0.000 0.248 464 D C 1.264 177.519 176.300 -0.075 0.000 1.174 464 D CA 0.236 54.211 54.000 -0.042 0.000 0.883 464 D CB 1.079 41.878 40.800 -0.001 0.000 1.149 464 D HN 0.661 nan 8.370 nan 0.000 0.488 465 S N 4.191 119.834 115.700 -0.095 0.000 2.442 465 S HA -0.183 4.287 4.470 0.000 0.000 0.236 465 S C 1.663 176.229 174.600 -0.058 0.000 1.007 465 S CA 0.596 58.723 58.200 -0.122 0.000 0.965 465 S CB -0.010 63.126 63.200 -0.106 0.000 0.773 465 S HN 0.535 nan 8.310 nan 0.000 0.504 466 R N 0.658 121.141 120.500 -0.028 0.000 2.189 466 R HA 0.178 4.518 4.340 0.000 0.000 0.223 466 R C 1.755 178.034 176.300 -0.036 0.000 1.092 466 R CA 1.146 57.229 56.100 -0.029 0.000 0.989 466 R CB -0.499 29.778 30.300 -0.038 0.000 0.876 466 R HN 0.472 nan 8.270 nan 0.000 0.457 467 L N 0.274 121.476 121.223 -0.035 0.000 2.492 467 L HA 0.126 4.466 4.340 0.000 0.000 0.223 467 L C 0.655 177.518 176.870 -0.012 0.000 1.132 467 L CA 0.189 55.015 54.840 -0.023 0.000 0.850 467 L CB 0.050 42.095 42.059 -0.023 0.000 0.966 467 L HN 0.053 nan 8.230 nan 0.000 0.454 468 I N 0.133 120.688 120.570 -0.025 0.000 2.385 468 I HA 0.256 4.426 4.170 0.000 0.000 0.294 468 I C -0.531 175.593 176.117 0.011 0.000 0.988 468 I CA -0.416 60.881 61.300 -0.005 0.000 1.265 468 I CB 1.865 39.839 38.000 -0.043 0.000 1.388 468 I HN -0.293 nan 8.210 nan 0.000 0.480 469 V N 4.754 124.696 119.914 0.046 0.000 2.656 469 V HA 0.323 4.443 4.120 0.000 0.000 0.307 469 V C -0.797 175.299 176.094 0.002 0.000 1.051 469 V CA -0.854 61.442 62.300 -0.008 0.000 0.893 469 V CB 2.142 33.962 31.823 -0.005 0.000 0.999 469 V HN 0.588 nan 8.190 nan 0.000 0.426 470 D N 2.453 122.787 120.400 -0.111 0.000 2.210 470 D HA 0.446 5.086 4.640 0.000 0.000 0.249 470 D C -0.980 175.274 176.300 -0.077 0.000 1.062 470 D CA 0.107 54.082 54.000 -0.042 0.000 0.891 470 D CB 1.278 42.047 40.800 -0.051 0.000 1.186 470 D HN 0.433 nan 8.370 nan 0.000 0.432 471 W N 1.260 122.528 121.300 -0.053 0.000 2.600 471 W HA 0.455 5.115 4.660 0.000 0.000 0.325 471 W C 0.185 176.745 176.519 0.067 0.000 1.034 471 W CA -0.841 56.521 57.345 0.029 0.000 1.226 471 W CB 1.325 30.691 29.460 -0.156 0.000 1.379 471 W HN -0.069 nan 8.180 nan 0.000 0.466 472 R N 3.031 123.771 120.500 0.399 0.000 2.502 472 R HA 0.484 4.824 4.340 0.000 0.000 0.298 472 R C -1.551 174.904 176.300 0.258 0.000 1.018 472 R CA -0.840 55.375 56.100 0.191 0.000 0.899 472 R CB 1.582 31.961 30.300 0.133 0.000 1.181 472 R HN 0.171 nan 8.270 nan 0.000 0.444 473 F N 2.981 122.757 119.950 -0.290 0.000 2.469 473 F HA 0.514 5.041 4.527 0.000 0.000 0.332 473 F C -0.276 175.364 175.800 -0.266 0.000 1.103 473 F CA -1.515 56.401 58.000 -0.141 0.000 0.979 473 F CB 1.057 39.953 39.000 -0.173 0.000 1.137 473 F HN 0.291 nan 8.300 nan 0.000 0.463 474 F N 1.158 121.279 119.950 0.285 0.000 2.477 474 F HA 0.657 5.184 4.527 0.000 0.000 0.335 474 F C 0.594 176.592 175.800 0.329 0.000 1.130 474 F CA -1.181 56.990 58.000 0.285 0.000 0.948 474 F CB 1.546 40.764 39.000 0.363 0.000 1.154 474 F HN 0.516 nan 8.300 nan 0.000 0.439 475 G N 2.085 111.122 108.800 0.395 0.000 2.437 475 G HA2 0.633 4.593 3.960 0.000 0.000 0.319 475 G HA3 0.633 4.593 3.960 0.000 0.000 0.319 475 G C -0.849 174.228 174.900 0.295 0.000 1.158 475 G CA -1.064 44.251 45.100 0.360 0.000 0.899 475 G HN 0.712 nan 8.290 nan 0.000 0.502 476 R N -0.557 120.116 120.500 0.287 0.000 2.457 476 R HA 0.650 4.990 4.340 0.000 0.000 0.284 476 R C -0.942 175.448 176.300 0.150 0.000 1.024 476 R CA -0.538 55.650 56.100 0.147 0.000 1.025 476 R CB 1.172 31.579 30.300 0.179 0.000 1.063 476 R HN 0.261 nan 8.270 nan 0.000 0.493 477 T N 1.987 116.602 114.554 0.102 0.000 2.792 477 T HA 0.111 4.461 4.350 0.000 0.000 0.280 477 T C -0.696 174.088 174.700 0.139 0.000 0.990 477 T CA -0.657 61.559 62.100 0.193 0.000 0.960 477 T CB 1.314 70.382 68.868 0.333 0.000 0.939 477 T HN 0.689 nan 8.240 nan 0.000 0.439 478 E N 4.971 125.255 120.200 0.141 0.000 2.415 478 E HA 0.071 4.421 4.350 0.000 0.000 0.263 478 E C -2.102 174.579 176.600 0.136 0.000 0.995 478 E CA -1.444 55.029 56.400 0.121 0.000 0.915 478 E CB 0.485 30.246 29.700 0.103 0.000 0.951 478 E HN 0.192 nan 8.360 nan 0.000 0.449 479 P HA 0.110 nan 4.420 nan 0.000 0.276 479 P C -1.231 176.223 177.300 0.258 0.000 1.243 479 P CA 0.034 63.278 63.100 0.240 0.000 0.768 479 P CB 0.718 32.585 31.700 0.278 0.000 0.856 480 K N 2.495 122.981 120.400 0.143 0.000 2.378 480 K HA 0.175 4.495 4.320 0.000 0.000 0.252 480 K C 0.936 177.364 176.600 -0.287 0.000 0.931 480 K CA -0.700 55.587 56.287 0.001 0.000 0.794 480 K CB 2.266 34.731 32.500 -0.060 0.000 1.181 480 K HN 0.467 nan 8.250 nan 0.000 0.425 481 E N 2.197 122.066 120.200 -0.552 0.000 2.204 481 E HA -0.183 4.167 4.350 0.000 0.000 0.194 481 E C 0.879 177.219 176.600 -0.433 0.000 0.989 481 E CA 1.243 57.036 56.400 -1.011 0.000 0.824 481 E CB 0.503 29.767 29.700 -0.726 0.000 0.756 481 E HN 0.556 nan 8.360 nan 0.000 0.477 482 E N 0.375 120.425 120.200 -0.250 0.000 2.347 482 E HA -0.099 4.251 4.350 0.000 0.000 0.196 482 E C 0.021 176.558 176.600 -0.104 0.000 1.008 482 E CA 0.216 56.528 56.400 -0.146 0.000 0.852 482 E CB -0.289 29.342 29.700 -0.115 0.000 0.783 482 E HN 0.059 nan 8.360 nan 0.000 0.505 483 N N 2.226 120.852 118.700 -0.123 0.000 2.405 483 N HA 0.137 4.877 4.740 0.000 0.000 0.260 483 N C -0.770 174.803 175.510 0.104 0.000 1.152 483 N CA 0.295 53.327 53.050 -0.030 0.000 0.948 483 N CB 0.929 39.361 38.487 -0.092 0.000 1.111 483 N HN 0.143 nan 8.380 nan 0.000 0.485 484 K N 1.297 121.811 120.400 0.191 0.000 2.422 484 K HA 0.429 4.749 4.320 0.000 0.000 0.251 484 K C -0.995 175.766 176.600 0.268 0.000 0.933 484 K CA -0.935 55.487 56.287 0.226 0.000 0.798 484 K CB 2.372 35.017 32.500 0.242 0.000 1.238 484 K HN 0.177 nan 8.250 nan 0.000 0.428 485 L N 4.413 125.749 121.223 0.187 0.000 2.280 485 L HA 0.538 4.878 4.340 0.000 0.000 0.287 485 L C -1.167 175.644 176.870 -0.098 0.000 1.023 485 L CA -0.044 54.753 54.840 -0.072 0.000 0.819 485 L CB 0.317 42.350 42.059 -0.043 0.000 1.212 485 L HN 0.682 nan 8.230 nan 0.000 0.420 486 W N 3.656 124.674 121.300 -0.471 0.000 3.055 486 W HA 0.647 5.307 4.660 0.000 0.000 0.340 486 W C -2.104 173.932 176.519 -0.805 0.000 1.180 486 W CA -1.244 55.858 57.345 -0.405 0.000 1.077 486 W CB 0.845 30.232 29.460 -0.123 0.000 1.479 486 W HN 0.318 nan 8.180 nan 0.000 0.593 487 F N 1.387 121.549 119.950 0.353 0.000 2.547 487 F HA 0.349 4.876 4.527 0.000 0.000 0.316 487 F C 0.705 176.688 175.800 0.305 0.000 1.121 487 F CA -0.982 57.099 58.000 0.136 0.000 0.911 487 F CB 2.106 41.156 39.000 0.083 0.000 1.179 487 F HN 0.254 nan 8.300 nan 0.000 0.443 488 S N 1.013 116.882 115.700 0.281 0.000 2.562 488 S HA 0.067 4.537 4.470 0.000 0.000 0.281 488 S C 0.766 175.520 174.600 0.257 0.000 1.333 488 S CA -0.529 57.862 58.200 0.318 0.000 1.052 488 S CB 0.408 63.693 63.200 0.142 0.000 0.884 488 S HN 0.687 nan 8.310 nan 0.000 0.506 489 D N 2.984 123.517 120.400 0.222 0.000 2.340 489 D HA 0.073 4.713 4.640 0.000 0.000 0.220 489 D C 1.036 177.397 176.300 0.102 0.000 1.039 489 D CA 0.503 54.587 54.000 0.139 0.000 0.866 489 D CB 0.135 40.996 40.800 0.103 0.000 0.913 489 D HN 0.527 nan 8.370 nan 0.000 0.523 490 K N -0.300 120.164 120.400 0.107 0.000 2.424 490 K HA 0.108 4.428 4.320 0.000 0.000 0.200 490 K C 0.046 176.689 176.600 0.072 0.000 1.279 490 K CA -0.205 56.129 56.287 0.079 0.000 0.918 490 K CB 0.818 33.362 32.500 0.074 0.000 1.287 490 K HN -0.061 nan 8.250 nan 0.000 0.502 491 I N 3.330 123.947 120.570 0.079 0.000 2.519 491 I HA 0.109 4.279 4.170 0.000 0.000 0.287 491 I C 0.577 176.732 176.117 0.064 0.000 1.047 491 I CA 0.028 61.364 61.300 0.059 0.000 1.381 491 I CB 1.048 39.072 38.000 0.041 0.000 1.417 491 I HN 0.232 nan 8.210 nan 0.000 0.540 492 T N 1.160 115.748 114.554 0.055 0.000 2.924 492 T HA 0.603 4.953 4.350 0.000 0.000 0.291 492 T C -0.377 174.361 174.700 0.063 0.000 1.045 492 T CA -0.922 61.218 62.100 0.066 0.000 1.015 492 T CB 2.325 71.228 68.868 0.058 0.000 1.103 492 T HN 0.537 nan 8.240 nan 0.000 0.496 493 D N 0.765 121.219 120.400 0.091 0.000 2.478 493 D HA 0.461 5.101 4.640 0.000 0.000 0.274 493 D C 1.672 178.018 176.300 0.076 0.000 1.234 493 D CA -0.354 53.707 54.000 0.100 0.000 1.069 493 D CB -0.048 40.849 40.800 0.161 0.000 1.113 493 D HN 0.658 nan 8.370 nan 0.000 0.571 494 A N -1.343 121.517 122.820 0.066 0.000 2.070 494 A HA -0.127 4.193 4.320 0.000 0.000 0.220 494 A C 1.243 178.661 177.584 -0.277 0.000 1.159 494 A CA 0.957 52.934 52.037 -0.099 0.000 0.656 494 A CB -0.969 17.944 19.000 -0.145 0.000 0.800 494 A HN 0.560 nan 8.150 nan 0.000 0.453 495 Y N -1.099 119.218 120.300 0.028 0.000 2.658 495 Y HA 0.234 4.784 4.550 0.000 0.000 0.276 495 Y C 0.626 176.549 175.900 0.038 0.000 1.167 495 Y CA -0.265 57.856 58.100 0.035 0.000 1.230 495 Y CB -0.503 37.962 38.460 0.008 0.000 1.144 495 Y HN 0.448 nan 8.280 nan 0.000 0.529 496 N N -0.110 118.658 118.700 0.113 0.000 2.725 496 N HA -0.183 4.557 4.740 0.000 0.000 0.249 496 N C -0.622 174.935 175.510 0.079 0.000 1.103 496 N CA 0.519 53.614 53.050 0.074 0.000 0.707 496 N CB -0.472 38.040 38.487 0.041 0.000 1.043 496 N HN 0.177 nan 8.380 nan 0.000 0.553 497 M N -0.328 119.336 119.600 0.107 0.000 2.528 497 M HA 0.406 4.886 4.480 0.000 0.000 0.318 497 M C -2.146 174.212 176.300 0.098 0.000 1.195 497 M CA -1.978 53.370 55.300 0.079 0.000 1.000 497 M CB 0.577 33.219 32.600 0.071 0.000 1.615 497 M HN -0.285 nan 8.290 nan 0.000 0.469 498 P HA -0.018 nan 4.420 nan 0.000 0.261 498 P C -0.592 176.867 177.300 0.265 0.000 1.183 498 P CA 0.119 63.317 63.100 0.162 0.000 0.761 498 P CB 0.209 32.009 31.700 0.167 0.000 0.785 499 Q N 7.295 127.197 119.800 0.170 0.000 2.255 499 Q HA 0.107 4.447 4.340 0.000 0.000 0.280 499 Q C -2.170 173.811 176.000 -0.032 0.000 1.068 499 Q CA -1.808 54.044 55.803 0.081 0.000 0.911 499 Q CB -0.334 28.403 28.738 -0.001 0.000 1.157 499 Q HN 0.302 nan 8.270 nan 0.000 0.380 500 P HA 0.035 nan 4.420 nan 0.000 0.268 500 P C -0.977 175.822 177.300 -0.835 0.000 1.204 500 P CA 0.043 62.735 63.100 -0.679 0.000 0.768 500 P CB 0.888 32.313 31.700 -0.458 0.000 0.842 501 T N 3.221 117.044 114.554 -1.218 0.000 2.916 501 T HA 0.527 4.877 4.350 0.000 0.000 0.298 501 T C -0.626 173.388 174.700 -1.143 0.000 1.031 501 T CA -0.089 61.307 62.100 -1.174 0.000 0.993 501 T CB 0.567 68.380 68.868 -1.759 0.000 1.045 501 T HN 0.059 nan 8.240 nan 0.000 0.454 502 F N 1.816 121.478 119.950 -0.480 0.000 2.458 502 F HA 0.559 5.086 4.527 0.000 0.000 0.330 502 F C 0.536 176.278 175.800 -0.096 0.000 1.082 502 F CA -0.998 56.844 58.000 -0.262 0.000 0.995 502 F CB 1.286 40.183 39.000 -0.172 0.000 1.170 502 F HN 0.383 nan 8.300 nan 0.000 0.478 503 D N 2.895 123.462 120.400 0.278 0.000 2.375 503 D HA 0.224 4.864 4.640 0.000 0.000 0.259 503 D C -1.839 174.595 176.300 0.224 0.000 1.235 503 D CA -0.069 54.078 54.000 0.246 0.000 0.924 503 D CB 0.412 41.395 40.800 0.305 0.000 1.143 503 D HN 0.288 nan 8.370 nan 0.000 0.529 504 F N 3.258 123.195 119.950 -0.021 0.000 2.581 504 F HA 0.582 5.109 4.527 0.000 0.000 0.311 504 F C -1.270 174.419 175.800 -0.185 0.000 1.113 504 F CA -0.591 57.331 58.000 -0.129 0.000 0.935 504 F CB 1.383 40.245 39.000 -0.229 0.000 1.232 504 F HN 0.018 nan 8.300 nan 0.000 0.445 505 R N 4.479 124.474 120.500 -0.842 0.000 2.725 505 R HA 0.360 4.700 4.340 0.000 0.000 0.277 505 R C -1.576 174.082 176.300 -1.069 0.000 0.987 505 R CA -0.959 54.748 56.100 -0.654 0.000 0.901 505 R CB 1.731 31.864 30.300 -0.279 0.000 1.207 505 R HN 0.581 nan 8.270 nan 0.000 0.463 506 F N 2.789 122.517 119.950 -0.369 0.000 2.602 506 F HA 0.139 4.666 4.527 0.000 0.000 0.385 506 F C -1.319 174.351 175.800 -0.217 0.000 1.063 506 F CA -0.923 56.944 58.000 -0.222 0.000 1.233 506 F CB -0.219 38.781 39.000 -0.001 0.000 1.067 506 F HN 0.147 nan 8.300 nan 0.000 0.564 507 P HA 0.142 nan 4.420 nan 0.000 0.269 507 P C -0.572 176.741 177.300 0.021 0.000 1.209 507 P CA -0.111 62.968 63.100 -0.034 0.000 0.776 507 P CB 0.626 32.322 31.700 -0.007 0.000 0.876 508 A N 2.481 125.300 122.820 -0.001 0.000 2.310 508 A HA 0.616 4.936 4.320 0.000 0.000 0.260 508 A C 1.057 178.654 177.584 0.022 0.000 1.112 508 A CA 0.608 52.650 52.037 0.009 0.000 0.804 508 A CB -0.929 18.068 19.000 -0.004 0.000 1.081 508 A HN 0.805 nan 8.150 nan 0.000 0.499 509 G N -0.327 108.487 108.800 0.024 0.000 2.498 509 G HA2 -0.268 3.692 3.960 0.000 0.000 0.245 509 G HA3 -0.268 3.692 3.960 0.000 0.000 0.245 509 G C 1.044 175.972 174.900 0.047 0.000 1.204 509 G CA 0.825 45.945 45.100 0.033 0.000 0.933 509 G HN 1.104 nan 8.290 nan 0.000 0.574 510 R N -0.049 120.486 120.500 0.058 0.000 2.096 510 R HA -0.059 4.281 4.340 0.000 0.000 0.235 510 R C 2.716 179.071 176.300 0.092 0.000 1.127 510 R CA 2.563 58.708 56.100 0.074 0.000 0.968 510 R CB -0.874 29.472 30.300 0.076 0.000 0.861 510 R HN 0.621 nan 8.270 nan 0.000 0.440 511 T N 0.111 114.723 114.554 0.096 0.000 2.684 511 T HA -0.098 4.252 4.350 0.000 0.000 0.267 511 T C 1.901 176.649 174.700 0.080 0.000 1.036 511 T CA 1.870 64.041 62.100 0.118 0.000 1.148 511 T CB -0.148 68.813 68.868 0.154 0.000 0.863 511 T HN 0.272 nan 8.240 nan 0.000 0.436 512 S N 0.547 116.279 115.700 0.053 0.000 2.395 512 S HA 0.002 4.472 4.470 0.000 0.000 0.225 512 S C 2.010 176.615 174.600 0.010 0.000 1.027 512 S CA 0.866 59.067 58.200 0.001 0.000 0.965 512 S CB -0.147 63.050 63.200 -0.004 0.000 0.812 512 S HN 0.519 nan 8.310 nan 0.000 0.482 513 K N 1.508 121.932 120.400 0.041 0.000 2.057 513 K HA -0.115 4.205 4.320 0.000 0.000 0.207 513 K C 1.898 178.554 176.600 0.094 0.000 1.049 513 K CA 1.461 57.782 56.287 0.057 0.000 0.931 513 K CB -0.091 32.447 32.500 0.063 0.000 0.714 513 K HN 0.327 nan 8.250 nan 0.000 0.440 514 E N -0.194 120.088 120.200 0.137 0.000 2.107 514 E HA -0.141 4.209 4.350 0.000 0.000 0.191 514 E C 1.981 178.681 176.600 0.167 0.000 0.982 514 E CA 0.801 57.348 56.400 0.245 0.000 0.809 514 E CB -0.070 29.801 29.700 0.284 0.000 0.756 514 E HN 0.468 nan 8.360 nan 0.000 0.459 515 A N 1.423 124.305 122.820 0.102 0.000 1.908 515 A HA -0.257 4.063 4.320 0.000 0.000 0.218 515 A C 2.073 179.734 177.584 0.128 0.000 1.181 515 A CA 1.861 53.952 52.037 0.091 0.000 0.627 515 A CB -0.379 18.622 19.000 0.003 0.000 0.818 515 A HN 0.133 nan 8.150 nan 0.000 0.445 516 E N 0.419 120.669 120.200 0.084 0.000 2.107 516 E HA -0.133 4.217 4.350 0.000 0.000 0.191 516 E C 1.309 177.893 176.600 -0.027 0.000 0.982 516 E CA 1.407 57.854 56.400 0.080 0.000 0.809 516 E CB -0.321 29.397 29.700 0.029 0.000 0.756 516 E HN 0.507 nan 8.360 nan 0.000 0.459 517 D N -0.080 120.301 120.400 -0.032 0.000 2.182 517 D HA -0.183 4.457 4.640 0.000 0.000 0.201 517 D C 1.883 177.920 176.300 -0.438 0.000 0.986 517 D CA 1.160 55.117 54.000 -0.072 0.000 0.847 517 D CB -0.294 40.596 40.800 0.151 0.000 0.942 517 D HN 0.333 nan 8.370 nan 0.000 0.467 518 M N -0.330 118.815 119.600 -0.758 0.000 2.132 518 M HA -0.172 4.308 4.480 0.000 0.000 0.263 518 M C 2.049 177.918 176.300 -0.718 0.000 1.065 518 M CA 1.152 55.657 55.300 -1.324 0.000 1.122 518 M CB 0.020 32.078 32.600 -0.904 0.000 1.365 518 M HN -0.032 nan 8.290 nan 0.000 0.411 519 M N 0.358 119.671 119.600 -0.480 0.000 2.080 519 M HA -0.153 4.327 4.480 0.000 0.000 0.260 519 M C 1.767 177.845 176.300 -0.372 0.000 1.068 519 M CA 2.360 57.380 55.300 -0.468 0.000 1.109 519 M CB -0.951 31.452 32.600 -0.328 0.000 1.342 519 M HN 0.240 nan 8.290 nan 0.000 0.405 520 T N 0.140 114.544 114.554 -0.251 0.000 2.720 520 T HA -0.173 4.177 4.350 0.000 0.000 0.268 520 T C 1.471 176.081 174.700 -0.149 0.000 1.037 520 T CA 1.846 63.850 62.100 -0.159 0.000 1.144 520 T CB -0.597 68.225 68.868 -0.078 0.000 0.864 520 T HN 0.544 nan 8.240 nan 0.000 0.444 521 D N 0.483 120.780 120.400 -0.171 0.000 2.117 521 D HA -0.068 4.572 4.640 0.000 0.000 0.197 521 D C 2.054 178.315 176.300 -0.065 0.000 0.987 521 D CA 0.874 54.885 54.000 0.017 0.000 0.829 521 D CB -0.217 40.681 40.800 0.164 0.000 0.961 521 D HN 0.303 nan 8.370 nan 0.000 0.460 522 M N -0.556 118.739 119.600 -0.508 0.000 2.117 522 M HA -0.171 4.309 4.480 0.000 0.000 0.262 522 M C 1.964 177.932 176.300 -0.553 0.000 1.065 522 M CA 1.323 56.031 55.300 -0.986 0.000 1.114 522 M CB -0.161 31.598 32.600 -1.402 0.000 1.361 522 M HN 0.185 nan 8.290 nan 0.000 0.408 523 C N -0.296 118.790 119.300 -0.357 0.000 2.432 523 C HA -0.117 4.343 4.460 0.000 0.000 0.277 523 C C 2.677 177.568 174.990 -0.165 0.000 1.249 523 C CA 0.956 59.886 59.018 -0.148 0.000 1.725 523 C CB -0.971 26.730 27.740 -0.065 0.000 2.028 523 C HN 0.507 nan 8.230 nan 0.000 0.477 524 V N 0.701 120.547 119.914 -0.113 0.000 2.295 524 V HA -0.310 3.810 4.120 0.000 0.000 0.246 524 V C 2.376 178.450 176.094 -0.034 0.000 1.049 524 V CA 2.416 64.685 62.300 -0.051 0.000 1.024 524 V CB -0.674 31.170 31.823 0.035 0.000 0.648 524 V HN 0.612 nan 8.190 nan 0.000 0.447 525 M N 0.673 120.288 119.600 0.024 0.000 2.200 525 M HA -0.136 4.344 4.480 0.000 0.000 0.265 525 M C 2.417 178.617 176.300 -0.167 0.000 1.066 525 M CA 2.114 57.518 55.300 0.174 0.000 1.127 525 M CB -0.161 32.700 32.600 0.434 0.000 1.379 525 M HN 0.540 nan 8.290 nan 0.000 0.420 526 S N 0.551 115.826 115.700 -0.707 0.000 2.402 526 S HA -0.037 4.433 4.470 0.000 0.000 0.229 526 S C 1.992 176.225 174.600 -0.611 0.000 1.021 526 S CA 0.920 58.312 58.200 -1.346 0.000 0.974 526 S CB -0.832 61.312 63.200 -1.759 0.000 0.800 526 S HN 0.570 nan 8.310 nan 0.000 0.484 527 A N 1.945 124.503 122.820 -0.437 0.000 2.070 527 A HA -0.005 4.315 4.320 0.000 0.000 0.220 527 A C 2.130 179.595 177.584 -0.197 0.000 1.159 527 A CA 1.350 53.178 52.037 -0.348 0.000 0.656 527 A CB -0.530 18.298 19.000 -0.288 0.000 0.800 527 A HN 0.639 nan 8.150 nan 0.000 0.453 528 K N -0.768 119.564 120.400 -0.114 0.000 2.432 528 K HA 0.097 4.417 4.320 0.000 0.000 0.196 528 K C 0.975 177.578 176.600 0.004 0.000 1.038 528 K CA 0.462 56.728 56.287 -0.035 0.000 0.986 528 K CB 0.101 32.618 32.500 0.027 0.000 0.782 528 K HN 0.388 nan 8.250 nan 0.000 0.485 529 I N -0.852 119.735 120.570 0.028 0.000 3.445 529 I HA 0.184 4.354 4.170 0.000 0.000 0.288 529 I C 1.058 177.193 176.117 0.029 0.000 1.198 529 I CA 0.541 61.902 61.300 0.101 0.000 1.417 529 I CB 0.181 38.381 38.000 0.334 0.000 1.205 529 I HN 0.091 nan 8.210 nan 0.000 0.448 530 G N -0.632 108.133 108.800 -0.058 0.000 2.322 530 G HA2 0.463 4.423 3.960 0.000 0.000 0.295 530 G HA3 0.463 4.423 3.960 0.000 0.000 0.295 530 G C -0.717 174.047 174.900 -0.226 0.000 1.369 530 G CA -0.142 44.900 45.100 -0.097 0.000 0.821 530 G HN 0.293 nan 8.290 nan 0.000 0.536 531 G N -1.195 107.465 108.800 -0.234 0.000 2.528 531 G HA2 0.583 4.543 3.960 0.000 0.000 0.289 531 G HA3 0.583 4.543 3.960 0.000 0.000 0.289 531 G C -0.283 174.430 174.900 -0.311 0.000 1.192 531 G CA -0.608 44.252 45.100 -0.399 0.000 0.921 531 G HN 0.452 nan 8.290 nan 0.000 0.512 532 F N -0.866 118.990 119.950 -0.157 0.000 2.553 532 F HA 0.215 4.742 4.527 0.000 0.000 0.356 532 F C 0.703 176.441 175.800 -0.103 0.000 1.142 532 F CA -0.686 57.215 58.000 -0.165 0.000 1.322 532 F CB 0.603 39.496 39.000 -0.178 0.000 1.126 532 F HN 0.165 nan 8.300 nan 0.000 0.599 533 L N 5.583 126.873 121.223 0.111 0.000 2.313 533 L HA 0.440 4.780 4.340 0.000 0.000 0.282 533 L C -2.439 174.475 176.870 0.074 0.000 1.092 533 L CA -1.947 52.934 54.840 0.068 0.000 0.831 533 L CB 0.243 42.336 42.059 0.057 0.000 1.159 533 L HN 0.271 nan 8.230 nan 0.000 0.442 534 P HA 0.179 nan 4.420 nan 0.000 0.264 534 P C 0.639 177.989 177.300 0.084 0.000 1.183 534 P CA 1.081 64.220 63.100 0.064 0.000 0.763 534 P CB 0.652 32.385 31.700 0.054 0.000 0.807 535 G N 1.992 110.837 108.800 0.074 0.000 2.225 535 G HA2 -0.243 3.717 3.960 0.000 0.000 0.254 535 G HA3 -0.243 3.717 3.960 0.000 0.000 0.254 535 G C 0.488 175.475 174.900 0.146 0.000 0.988 535 G CA 0.244 45.410 45.100 0.109 0.000 0.625 535 G HN 0.534 nan 8.290 nan 0.000 0.527 536 S N 0.765 116.522 115.700 0.095 0.000 2.474 536 S HA 0.535 5.005 4.470 0.000 0.000 0.224 536 S C 0.398 174.908 174.600 -0.151 0.000 1.209 536 S CA -0.538 57.701 58.200 0.066 0.000 1.212 536 S CB 0.264 63.478 63.200 0.023 0.000 1.137 536 S HN 0.463 nan 8.310 nan 0.000 0.446 537 L N 2.348 123.476 121.223 -0.159 0.000 2.456 537 L HA 0.407 4.747 4.340 0.000 0.000 0.257 537 L C -2.079 174.493 176.870 -0.497 0.000 1.162 537 L CA -2.426 52.187 54.840 -0.379 0.000 0.808 537 L CB 0.009 41.912 42.059 -0.261 0.000 1.136 537 L HN 0.079 nan 8.230 nan 0.000 0.466 538 P HA -0.012 nan 4.420 nan 0.000 0.261 538 P C -1.415 175.653 177.300 -0.387 0.000 1.183 538 P CA 0.193 62.900 63.100 -0.655 0.000 0.761 538 P CB 0.346 31.563 31.700 -0.805 0.000 0.785 539 Q N 1.711 121.328 119.800 -0.305 0.000 2.472 539 Q HA 0.475 4.815 4.340 0.000 0.000 0.281 539 Q C -1.361 174.500 176.000 -0.232 0.000 0.997 539 Q CA -0.895 54.813 55.803 -0.158 0.000 0.828 539 Q CB 0.712 29.433 28.738 -0.029 0.000 1.443 539 Q HN 0.092 nan 8.270 nan 0.000 0.390 540 F N 1.553 121.451 119.950 -0.088 0.000 2.443 540 F HA 0.274 4.801 4.527 0.000 0.000 0.353 540 F C 0.576 176.350 175.800 -0.043 0.000 1.101 540 F CA -0.225 57.726 58.000 -0.081 0.000 1.226 540 F CB 0.866 39.809 39.000 -0.094 0.000 1.140 540 F HN 0.397 nan 8.300 nan 0.000 0.557 541 M N 1.637 121.290 119.600 0.088 0.000 2.291 541 M HA 0.155 4.635 4.480 0.000 0.000 0.324 541 M C 0.217 176.565 176.300 0.079 0.000 1.148 541 M CA -0.637 54.688 55.300 0.041 0.000 1.104 541 M CB 0.518 33.097 32.600 -0.034 0.000 1.483 541 M HN 0.565 nan 8.290 nan 0.000 0.467 542 E N 2.486 122.706 120.200 0.033 0.000 2.568 542 E HA -0.011 4.339 4.350 0.000 0.000 0.262 542 E C -2.129 174.496 176.600 0.041 0.000 0.961 542 E CA -1.170 55.248 56.400 0.029 0.000 0.945 542 E CB 0.367 30.057 29.700 -0.016 0.000 0.924 542 E HN 0.202 nan 8.360 nan 0.000 0.467 543 P HA 0.029 nan 4.420 nan 0.000 0.263 543 P C 0.242 177.458 177.300 -0.140 0.000 1.195 543 P CA 0.958 64.084 63.100 0.043 0.000 0.762 543 P CB 0.619 32.314 31.700 -0.008 0.000 0.799 544 G N 2.578 111.296 108.800 -0.136 0.000 2.175 544 G HA2 -0.319 3.641 3.960 0.000 0.000 0.244 544 G HA3 -0.319 3.641 3.960 0.000 0.000 0.244 544 G C 0.717 175.555 174.900 -0.104 0.000 0.982 544 G CA 0.168 45.147 45.100 -0.202 0.000 0.641 544 G HN 0.530 nan 8.290 nan 0.000 0.527 545 L N 0.792 121.976 121.223 -0.065 0.000 2.187 545 L HA 0.133 4.473 4.340 0.000 0.000 0.213 545 L C 2.776 179.619 176.870 -0.046 0.000 1.100 545 L CA 2.462 57.269 54.840 -0.054 0.000 0.765 545 L CB -0.279 41.745 42.059 -0.058 0.000 0.904 545 L HN 0.435 nan 8.230 nan 0.000 0.437 546 V N -0.245 119.644 119.914 -0.042 0.000 2.594 546 V HA -0.163 3.957 4.120 0.000 0.000 0.253 546 V C 1.571 177.588 176.094 -0.129 0.000 1.069 546 V CA 1.200 63.453 62.300 -0.079 0.000 1.082 546 V CB -0.276 31.531 31.823 -0.027 0.000 0.680 546 V HN 0.494 nan 8.190 nan 0.000 0.469 547 L N 0.013 121.226 121.223 -0.017 0.000 3.634 547 L HA -0.250 4.090 4.340 0.000 0.000 0.423 547 L C 0.342 177.379 176.870 0.278 0.000 1.253 547 L CA 0.851 55.743 54.840 0.086 0.000 0.885 547 L CB -2.467 39.652 42.059 0.100 0.000 1.789 547 L HN 0.564 nan 8.230 nan 0.000 0.904 548 H N -0.721 118.448 119.070 0.165 0.000 2.467 548 H HA 0.261 4.817 4.556 0.000 0.000 0.275 548 H C 0.563 176.029 175.328 0.229 0.000 1.131 548 H CA -1.100 55.091 56.048 0.239 0.000 0.989 548 H CB 0.688 30.631 29.762 0.301 0.000 1.696 548 H HN 0.180 nan 8.280 nan 0.000 0.574 549 L N 1.972 123.337 121.223 0.237 0.000 2.540 549 L HA 0.176 4.516 4.340 0.000 0.000 0.276 549 L C 0.622 177.628 176.870 0.226 0.000 1.212 549 L CA 0.762 55.691 54.840 0.149 0.000 0.893 549 L CB 0.295 42.400 42.059 0.077 0.000 1.138 549 L HN 0.285 nan 8.230 nan 0.000 0.491 550 G N 1.889 110.838 108.800 0.248 0.000 2.733 550 G HA2 0.545 4.505 3.960 0.000 0.000 0.288 550 G HA3 0.545 4.505 3.960 0.000 0.000 0.288 550 G C 0.288 175.299 174.900 0.184 0.000 1.373 550 G CA -0.280 44.985 45.100 0.275 0.000 0.895 550 G HN 1.332 nan 8.290 nan 0.000 0.479 551 G N -1.291 107.582 108.800 0.122 0.000 2.162 551 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 551 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 551 G C 1.248 176.214 174.900 0.110 0.000 0.976 551 G CA 1.580 46.760 45.100 0.132 0.000 0.655 551 G HN 1.826 nan 8.290 nan 0.000 0.533 552 T N -2.055 112.511 114.554 0.021 0.000 3.055 552 T HA 0.200 4.550 4.350 0.000 0.000 0.265 552 T C 1.046 175.830 174.700 0.140 0.000 1.111 552 T CA 1.739 63.897 62.100 0.097 0.000 1.118 552 T CB -0.223 68.709 68.868 0.108 0.000 0.909 552 T HN 1.418 nan 8.240 nan 0.000 0.501 553 H N -0.108 119.040 119.070 0.130 0.000 2.823 553 H HA 0.456 5.012 4.556 0.000 0.000 0.222 553 H C -0.042 175.331 175.328 0.075 0.000 1.414 553 H CA -1.381 54.719 56.048 0.086 0.000 1.289 553 H CB -0.344 29.434 29.762 0.027 0.000 1.970 553 H HN 0.317 nan 8.280 nan 0.000 0.517 554 R N 0.438 121.027 120.500 0.147 0.000 2.707 554 R HA 0.325 4.665 4.340 0.000 0.000 0.270 554 R C -0.376 175.987 176.300 0.105 0.000 1.083 554 R CA -0.720 55.439 56.100 0.097 0.000 1.182 554 R CB 0.929 31.278 30.300 0.082 0.000 1.084 554 R HN 0.444 nan 8.270 nan 0.000 0.528 555 M N 0.997 120.633 119.600 0.060 0.000 2.363 555 M HA 0.480 4.960 4.480 0.000 0.000 0.343 555 M C -0.763 175.533 176.300 -0.006 0.000 1.165 555 M CA -0.095 55.215 55.300 0.017 0.000 1.046 555 M CB 1.894 34.477 32.600 -0.027 0.000 1.648 555 M HN 0.925 nan 8.290 nan 0.000 0.452 556 G N 2.259 111.071 108.800 0.020 0.000 2.649 556 G HA2 0.468 4.428 3.960 0.000 0.000 0.290 556 G HA3 0.468 4.428 3.960 0.000 0.000 0.290 556 G C -0.825 174.067 174.900 -0.015 0.000 1.426 556 G CA -0.657 44.415 45.100 -0.047 0.000 0.794 556 G HN 0.710 nan 8.290 nan 0.000 0.483 557 F N -0.159 119.889 119.950 0.163 0.000 2.206 557 F HA 0.196 4.723 4.527 0.000 0.000 0.298 557 F C 1.145 177.064 175.800 0.198 0.000 1.090 557 F CA 1.098 59.199 58.000 0.167 0.000 1.323 557 F CB 0.330 39.387 39.000 0.095 0.000 1.028 557 F HN 0.374 nan 8.300 nan 0.000 0.492 558 D N -0.836 119.711 120.400 0.245 0.000 2.593 558 D HA 0.122 4.762 4.640 0.000 0.000 0.251 558 D C 0.785 176.910 176.300 -0.291 0.000 1.140 558 D CA -0.232 53.753 54.000 -0.025 0.000 0.855 558 D CB 1.142 41.951 40.800 0.015 0.000 1.267 558 D HN 0.097 nan 8.370 nan 0.000 0.532 559 E N 3.186 122.848 120.200 -0.896 0.000 2.086 559 E HA -0.303 4.047 4.350 0.000 0.000 0.200 559 E C 1.222 177.640 176.600 -0.303 0.000 1.012 559 E CA 1.354 57.238 56.400 -0.859 0.000 0.812 559 E CB 0.298 29.351 29.700 -1.078 0.000 0.743 559 E HN 0.420 nan 8.360 nan 0.000 0.453 560 K N -0.158 120.112 120.400 -0.217 0.000 2.067 560 K HA -0.092 4.228 4.320 0.000 0.000 0.203 560 K C 2.044 178.611 176.600 -0.056 0.000 1.048 560 K CA 1.192 57.422 56.287 -0.096 0.000 0.954 560 K CB 0.120 32.579 32.500 -0.069 0.000 0.737 560 K HN 0.070 nan 8.250 nan 0.000 0.444 561 E N 0.394 120.564 120.200 -0.050 0.000 2.152 561 E HA -0.113 4.237 4.350 0.000 0.000 0.192 561 E C 0.672 177.267 176.600 -0.009 0.000 0.983 561 E CA 0.980 57.372 56.400 -0.013 0.000 0.818 561 E CB 0.233 29.936 29.700 0.005 0.000 0.758 561 E HN 0.306 nan 8.360 nan 0.000 0.467 562 D N 0.180 120.567 120.400 -0.022 0.000 2.363 562 D HA 0.043 4.683 4.640 0.000 0.000 0.214 562 D C -0.609 175.620 176.300 -0.118 0.000 1.093 562 D CA -0.000 53.981 54.000 -0.031 0.000 0.837 562 D CB 0.084 40.904 40.800 0.034 0.000 0.948 562 D HN 0.075 nan 8.370 nan 0.000 0.507 563 N N 0.713 119.342 118.700 -0.119 0.000 2.667 563 N HA -0.184 4.556 4.740 0.000 0.000 0.263 563 N C -0.275 175.149 175.510 -0.143 0.000 1.038 563 N CA 0.563 53.518 53.050 -0.158 0.000 0.749 563 N CB -1.423 36.826 38.487 -0.396 0.000 0.892 563 N HN 0.427 nan 8.380 nan 0.000 0.546 564 C N -3.279 116.017 119.300 -0.006 0.000 3.259 564 C HA 0.798 5.258 4.460 0.000 0.000 0.328 564 C C 1.344 176.507 174.990 0.289 0.000 1.425 564 C CA -0.614 58.480 59.018 0.126 0.000 1.465 564 C CB 1.585 29.425 27.740 0.167 0.000 1.890 564 C HN 0.506 nan 8.230 nan 0.000 0.450 565 C N 0.140 119.648 119.300 0.348 0.000 3.095 565 C HA 0.483 4.943 4.460 0.000 0.000 0.472 565 C C 0.701 175.799 174.990 0.179 0.000 1.348 565 C CA 0.624 59.839 59.018 0.328 0.000 2.206 565 C CB -0.335 27.515 27.740 0.184 0.000 3.088 565 C HN 0.962 nan 8.230 nan 0.000 0.599 566 V N 1.499 121.402 119.914 -0.017 0.000 2.960 566 V HA 0.733 4.853 4.120 0.000 0.000 0.315 566 V C -0.722 174.988 176.094 -0.639 0.000 1.087 566 V CA -0.604 61.422 62.300 -0.457 0.000 0.982 566 V CB 1.507 33.194 31.823 -0.226 0.000 1.039 566 V HN 0.432 nan 8.190 nan 0.000 0.437 567 N N 0.475 118.654 118.700 -0.868 0.000 2.495 567 N HA 0.261 5.001 4.740 0.000 0.000 0.294 567 N C 1.076 176.438 175.510 -0.246 0.000 1.276 567 N CA 0.180 52.970 53.050 -0.433 0.000 0.973 567 N CB -0.147 38.132 38.487 -0.346 0.000 1.143 567 N HN 0.932 nan 8.380 nan 0.000 0.589 568 T N -4.569 109.881 114.554 -0.173 0.000 3.113 568 T HA -0.017 4.333 4.350 0.000 0.000 0.263 568 T C 0.105 174.719 174.700 -0.142 0.000 1.143 568 T CA 0.709 62.710 62.100 -0.165 0.000 1.090 568 T CB -0.470 68.314 68.868 -0.142 0.000 0.922 568 T HN 0.449 nan 8.240 nan 0.000 0.521 569 D N 0.906 121.210 120.400 -0.161 0.000 2.339 569 D HA 0.177 4.817 4.640 0.000 0.000 0.217 569 D C 0.548 176.840 176.300 -0.012 0.000 1.050 569 D CA 0.160 54.079 54.000 -0.135 0.000 0.856 569 D CB 0.161 40.757 40.800 -0.340 0.000 0.922 569 D HN 0.363 nan 8.370 nan 0.000 0.518 570 S N 0.197 115.860 115.700 -0.062 0.000 3.482 570 S HA -0.233 4.237 4.470 0.000 0.000 0.294 570 S C 0.513 175.106 174.600 -0.011 0.000 1.244 570 S CA 0.341 58.547 58.200 0.009 0.000 0.911 570 S CB -1.320 61.963 63.200 0.138 0.000 1.070 570 S HN 0.450 nan 8.310 nan 0.000 0.614 571 R N 1.298 121.666 120.500 -0.220 0.000 2.308 571 R HA 0.462 4.802 4.340 0.000 0.000 0.305 571 R C -0.047 175.931 176.300 -0.537 0.000 1.053 571 R CA -0.361 55.412 56.100 -0.546 0.000 0.957 571 R CB 0.660 30.615 30.300 -0.575 0.000 1.022 571 R HN 0.135 nan 8.270 nan 0.000 0.461 572 V N 6.363 125.993 119.914 -0.473 0.000 2.529 572 V HA 0.003 4.123 4.120 0.000 0.000 0.292 572 V C 0.149 176.163 176.094 -0.134 0.000 1.028 572 V CA 0.214 62.324 62.300 -0.318 0.000 1.074 572 V CB -0.149 31.474 31.823 -0.334 0.000 0.958 572 V HN 0.569 nan 8.190 nan 0.000 0.481 573 F N 3.874 123.856 119.950 0.053 0.000 2.623 573 F HA 0.381 4.908 4.527 0.000 0.000 0.383 573 F C 1.589 177.514 175.800 0.208 0.000 1.077 573 F CA 1.474 59.534 58.000 0.099 0.000 1.268 573 F CB -0.052 39.002 39.000 0.090 0.000 1.053 573 F HN 0.795 nan 8.300 nan 0.000 0.571 574 G N 2.272 111.252 108.800 0.300 0.000 2.205 574 G HA2 -0.310 3.650 3.960 0.000 0.000 0.261 574 G HA3 -0.310 3.650 3.960 0.000 0.000 0.261 574 G C -0.159 174.698 174.900 -0.072 0.000 0.980 574 G CA -0.421 44.757 45.100 0.129 0.000 0.632 574 G HN 0.442 nan 8.290 nan 0.000 0.533 575 F N 0.989 120.959 119.950 0.033 0.000 2.427 575 F HA 0.564 5.091 4.527 0.000 0.000 0.348 575 F C 1.362 177.141 175.800 -0.034 0.000 1.125 575 F CA -1.055 56.949 58.000 0.008 0.000 0.989 575 F CB 1.667 40.670 39.000 0.005 0.000 1.165 575 F HN -0.217 nan 8.300 nan 0.000 0.442 576 K N 1.652 122.132 120.400 0.133 0.000 2.147 576 K HA -0.120 4.200 4.320 0.000 0.000 0.205 576 K C 0.887 177.667 176.600 0.300 0.000 1.049 576 K CA 1.285 57.692 56.287 0.199 0.000 0.936 576 K CB 0.040 32.669 32.500 0.215 0.000 0.722 576 K HN 0.643 nan 8.250 nan 0.000 0.446 577 N N -0.061 118.790 118.700 0.251 0.000 2.241 577 N HA 0.027 4.767 4.740 0.000 0.000 0.238 577 N C -0.483 175.112 175.510 0.142 0.000 1.244 577 N CA -0.296 52.954 53.050 0.333 0.000 0.880 577 N CB -0.025 38.725 38.487 0.437 0.000 1.179 577 N HN -0.049 nan 8.380 nan 0.000 0.513 578 L N 0.521 121.628 121.223 -0.195 0.000 2.333 578 L HA 0.696 5.036 4.340 0.000 0.000 0.280 578 L C -1.729 174.729 176.870 -0.686 0.000 1.004 578 L CA -0.577 54.110 54.840 -0.256 0.000 0.820 578 L CB 0.950 42.873 42.059 -0.227 0.000 1.247 578 L HN -0.061 nan 8.230 nan 0.000 0.416 579 F N 4.938 124.810 119.950 -0.130 0.000 2.551 579 F HA 0.678 5.205 4.527 0.000 0.000 0.316 579 F C -0.661 174.987 175.800 -0.254 0.000 1.089 579 F CA -0.661 57.239 58.000 -0.166 0.000 0.915 579 F CB 1.859 40.791 39.000 -0.114 0.000 1.186 579 F HN 0.202 nan 8.300 nan 0.000 0.456 580 L N 1.961 123.146 121.223 -0.064 0.000 2.365 580 L HA 0.892 5.232 4.340 0.000 0.000 0.273 580 L C 0.025 176.904 176.870 0.015 0.000 1.000 580 L CA -0.821 53.910 54.840 -0.182 0.000 0.819 580 L CB 1.907 43.692 42.059 -0.457 0.000 1.284 580 L HN 0.768 nan 8.230 nan 0.000 0.418 581 G N 0.253 109.079 108.800 0.044 0.000 2.498 581 G HA2 0.823 4.783 3.960 0.000 0.000 0.312 581 G HA3 0.823 4.783 3.960 0.000 0.000 0.312 581 G C -0.448 174.577 174.900 0.208 0.000 1.230 581 G CA -0.370 44.864 45.100 0.223 0.000 0.968 581 G HN 0.984 nan 8.290 nan 0.000 0.481 582 G N -1.589 107.322 108.800 0.185 0.000 2.371 582 G HA2 0.044 4.004 3.960 0.000 0.000 0.663 582 G HA3 0.044 4.004 3.960 0.000 0.000 0.663 582 G C 0.682 175.636 174.900 0.090 0.000 1.311 582 G CA 0.005 45.191 45.100 0.144 0.000 0.985 582 G HN 1.183 nan 8.290 nan 0.000 0.566 583 C N 0.649 119.979 119.300 0.050 0.000 2.437 583 C HA 0.242 4.702 4.460 0.000 0.000 0.283 583 C C 2.978 177.941 174.990 -0.046 0.000 1.424 583 C CA 1.618 60.641 59.018 0.009 0.000 1.782 583 C CB -1.289 26.491 27.740 0.067 0.000 1.833 583 C HN 1.272 nan 8.230 nan 0.000 0.532 584 G N 1.425 110.105 108.800 -0.200 0.000 2.479 584 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 584 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 584 G C 1.411 175.931 174.900 -0.634 0.000 1.115 584 G CA 0.722 45.422 45.100 -0.666 0.000 0.757 584 G HN 0.556 nan 8.290 nan 0.000 0.560 585 N N 0.354 118.908 118.700 -0.243 0.000 2.396 585 N HA 0.015 4.755 4.740 0.000 0.000 0.180 585 N C 0.865 176.387 175.510 0.021 0.000 1.028 585 N CA 0.196 53.261 53.050 0.025 0.000 0.893 585 N CB 0.068 38.621 38.487 0.111 0.000 0.967 585 N HN 0.311 nan 8.380 nan 0.000 0.440 586 I N 3.052 123.629 120.570 0.012 0.000 2.452 586 I HA 0.043 4.213 4.170 0.000 0.000 0.287 586 I C -1.348 174.853 176.117 0.140 0.000 1.079 586 I CA -1.046 60.285 61.300 0.052 0.000 1.387 586 I CB 1.334 39.293 38.000 -0.069 0.000 1.404 586 I HN -0.082 nan 8.210 nan 0.000 0.522 587 P HA 0.071 nan 4.420 nan 0.000 0.267 587 P C 0.178 177.572 177.300 0.157 0.000 1.289 587 P CA 0.190 63.363 63.100 0.121 0.000 0.866 587 P CB 0.262 31.993 31.700 0.053 0.000 1.309 588 T N -2.293 112.390 114.554 0.215 0.000 2.923 588 T HA 0.698 5.048 4.350 0.000 0.000 0.281 588 T C 0.146 174.995 174.700 0.248 0.000 0.995 588 T CA -0.899 61.316 62.100 0.193 0.000 0.985 588 T CB 1.298 70.259 68.868 0.154 0.000 1.114 588 T HN 0.052 nan 8.240 nan 0.000 0.548 589 A N 1.799 124.693 122.820 0.124 0.000 2.347 589 A HA 0.605 4.925 4.320 0.000 0.000 0.287 589 A C -0.658 176.897 177.584 -0.049 0.000 1.199 589 A CA -0.795 51.260 52.037 0.030 0.000 0.851 589 A CB -0.932 18.103 19.000 0.058 0.000 1.118 589 A HN 0.852 nan 8.150 nan 0.000 0.525 590 Y N -0.416 119.799 120.300 -0.142 0.000 2.512 590 Y HA 0.719 5.269 4.550 0.000 0.000 0.348 590 Y C 0.768 176.537 175.900 -0.219 0.000 0.990 590 Y CA -0.759 57.066 58.100 -0.458 0.000 1.033 590 Y CB 1.337 39.294 38.460 -0.838 0.000 1.259 590 Y HN 0.383 nan 8.280 nan 0.000 0.461 591 G N 0.465 109.169 108.800 -0.160 0.000 2.673 591 G HA2 0.375 4.335 3.960 0.000 0.000 0.208 591 G HA3 0.375 4.335 3.960 0.000 0.000 0.208 591 G C 0.456 175.457 174.900 0.169 0.000 1.128 591 G CA 0.201 45.412 45.100 0.184 0.000 0.805 591 G HN 0.952 nan 8.290 nan 0.000 0.526 592 A N 0.777 123.527 122.820 -0.117 0.000 2.346 592 A HA 0.470 4.790 4.320 0.000 0.000 0.252 592 A C -0.040 177.466 177.584 -0.131 0.000 1.089 592 A CA -0.485 51.379 52.037 -0.289 0.000 0.797 592 A CB 0.045 18.873 19.000 -0.286 0.000 1.047 592 A HN 0.374 nan 8.150 nan 0.000 0.494 593 N N 1.892 120.370 118.700 -0.370 0.000 2.454 593 N HA 0.245 4.985 4.740 0.000 0.000 0.260 593 N C -2.047 173.376 175.510 -0.145 0.000 1.218 593 N CA -0.923 51.877 53.050 -0.418 0.000 0.904 593 N CB 0.354 38.663 38.487 -0.297 0.000 1.065 593 N HN 0.406 nan 8.380 nan 0.000 0.462 594 P HA 0.011 nan 4.420 nan 0.000 0.245 594 P C 0.482 177.698 177.300 -0.141 0.000 1.203 594 P CA 0.641 63.661 63.100 -0.133 0.000 0.792 594 P CB 0.334 31.948 31.700 -0.144 0.000 0.997 595 T N 0.819 115.365 114.554 -0.013 0.000 2.821 595 T HA -0.104 4.246 4.350 0.000 0.000 0.267 595 T C 1.748 176.548 174.700 0.166 0.000 1.046 595 T CA 0.865 63.020 62.100 0.092 0.000 1.139 595 T CB -0.775 68.190 68.868 0.162 0.000 0.871 595 T HN 0.003 nan 8.240 nan 0.000 0.454 596 L N 1.022 122.357 121.223 0.187 0.000 2.079 596 L HA -0.102 4.238 4.340 0.000 0.000 0.210 596 L C 2.532 179.483 176.870 0.135 0.000 1.081 596 L CA 1.693 56.687 54.840 0.257 0.000 0.752 596 L CB -0.920 41.276 42.059 0.228 0.000 0.896 596 L HN 0.194 nan 8.230 nan 0.000 0.433 597 T N -0.657 113.836 114.554 -0.102 0.000 2.777 597 T HA -0.110 4.240 4.350 0.000 0.000 0.266 597 T C 1.891 176.502 174.700 -0.148 0.000 1.040 597 T CA 1.174 63.113 62.100 -0.268 0.000 1.141 597 T CB -0.409 67.824 68.868 -1.059 0.000 0.868 597 T HN 0.503 nan 8.240 nan 0.000 0.444 598 A N 1.490 124.233 122.820 -0.129 0.000 1.933 598 A HA -0.061 4.259 4.320 0.000 0.000 0.218 598 A C 2.301 179.856 177.584 -0.049 0.000 1.175 598 A CA 1.757 53.760 52.037 -0.058 0.000 0.628 598 A CB -0.719 18.270 19.000 -0.019 0.000 0.814 598 A HN 0.526 nan 8.150 nan 0.000 0.444 599 M N -0.262 119.320 119.600 -0.031 0.000 2.117 599 M HA -0.144 4.336 4.480 0.000 0.000 0.262 599 M C 2.106 178.314 176.300 -0.154 0.000 1.065 599 M CA 2.083 57.330 55.300 -0.089 0.000 1.114 599 M CB -0.154 32.389 32.600 -0.095 0.000 1.361 599 M HN 0.380 nan 8.290 nan 0.000 0.408 600 S N 1.150 116.762 115.700 -0.147 0.000 2.368 600 S HA -0.127 4.343 4.470 0.000 0.000 0.225 600 S C 1.747 176.155 174.600 -0.320 0.000 1.030 600 S CA 1.411 59.456 58.200 -0.259 0.000 0.999 600 S CB -0.536 62.462 63.200 -0.336 0.000 0.844 600 S HN 0.514 nan 8.310 nan 0.000 0.459 601 L N 1.127 122.204 121.223 -0.244 0.000 2.083 601 L HA -0.120 4.220 4.340 0.000 0.000 0.209 601 L C 2.780 179.514 176.870 -0.226 0.000 1.083 601 L CA 1.129 55.825 54.840 -0.240 0.000 0.752 601 L CB -0.704 41.285 42.059 -0.117 0.000 0.899 601 L HN 0.323 nan 8.230 nan 0.000 0.433 602 A N 0.312 122.994 122.820 -0.229 0.000 1.933 602 A HA -0.170 4.150 4.320 0.000 0.000 0.218 602 A C 2.227 179.496 177.584 -0.525 0.000 1.175 602 A CA 1.464 53.247 52.037 -0.424 0.000 0.628 602 A CB -0.615 18.132 19.000 -0.421 0.000 0.814 602 A HN 0.354 nan 8.150 nan 0.000 0.444 603 I N -0.594 119.757 120.570 -0.365 0.000 2.179 603 I HA -0.267 3.903 4.170 0.000 0.000 0.242 603 I C 2.540 178.488 176.117 -0.281 0.000 1.088 603 I CA 1.864 62.980 61.300 -0.306 0.000 1.357 603 I CB -0.250 37.583 38.000 -0.279 0.000 1.051 603 I HN 0.384 nan 8.210 nan 0.000 0.409 604 K N 0.600 120.828 120.400 -0.287 0.000 2.032 604 K HA -0.233 4.087 4.320 0.000 0.000 0.209 604 K C 2.367 178.864 176.600 -0.172 0.000 1.048 604 K CA 1.905 58.049 56.287 -0.238 0.000 0.927 604 K CB -0.165 32.158 32.500 -0.294 0.000 0.712 604 K HN 0.103 nan 8.250 nan 0.000 0.441 605 S N 0.030 115.613 115.700 -0.195 0.000 2.365 605 S HA -0.205 4.265 4.470 0.000 0.000 0.225 605 S C 2.074 176.555 174.600 -0.199 0.000 1.039 605 S CA 1.607 59.724 58.200 -0.139 0.000 1.033 605 S CB -0.531 62.631 63.200 -0.063 0.000 0.887 605 S HN 0.581 nan 8.310 nan 0.000 0.447 606 C N 1.404 120.507 119.300 -0.329 0.000 2.422 606 C HA -0.004 4.456 4.460 0.000 0.000 0.279 606 C C 2.473 177.366 174.990 -0.162 0.000 1.305 606 C CA 0.713 59.555 59.018 -0.292 0.000 1.757 606 C CB -1.473 26.062 27.740 -0.342 0.000 1.962 606 C HN 0.682 nan 8.230 nan 0.000 0.499 607 E N -0.586 119.543 120.200 -0.118 0.000 2.085 607 E HA -0.267 4.083 4.350 0.000 0.000 0.194 607 E C 1.827 178.429 176.600 0.003 0.000 0.994 607 E CA 1.594 57.961 56.400 -0.056 0.000 0.801 607 E CB -0.310 29.354 29.700 -0.060 0.000 0.743 607 E HN 0.849 nan 8.360 nan 0.000 0.453 608 Y N 1.184 121.434 120.300 -0.083 0.000 2.200 608 Y HA -0.156 4.394 4.550 0.000 0.000 0.290 608 Y C 1.954 177.858 175.900 0.007 0.000 1.137 608 Y CA 1.278 59.369 58.100 -0.014 0.000 1.163 608 Y CB -0.078 38.407 38.460 0.043 0.000 0.988 608 Y HN -0.076 nan 8.280 nan 0.000 0.518 609 I N 0.474 121.059 120.570 0.025 0.000 2.163 609 I HA -0.351 3.819 4.170 0.000 0.000 0.243 609 I C 2.333 178.461 176.117 0.019 0.000 1.085 609 I CA 1.708 62.991 61.300 -0.028 0.000 1.347 609 I CB -0.455 37.323 38.000 -0.369 0.000 1.044 609 I HN 0.155 nan 8.210 nan 0.000 0.408 610 K N 0.368 120.742 120.400 -0.043 0.000 2.218 610 K HA -0.241 4.079 4.320 0.000 0.000 0.205 610 K C 1.869 178.519 176.600 0.083 0.000 1.046 610 K CA 1.408 57.746 56.287 0.084 0.000 0.933 610 K CB -0.157 32.369 32.500 0.043 0.000 0.728 610 K HN 0.512 nan 8.250 nan 0.000 0.454 611 Q N -0.698 119.078 119.800 -0.040 0.000 2.356 611 Q HA 0.090 4.430 4.340 0.000 0.000 0.205 611 Q C 0.798 176.681 176.000 -0.196 0.000 0.901 611 Q CA 0.208 55.949 55.803 -0.103 0.000 0.938 611 Q CB 0.575 29.237 28.738 -0.126 0.000 1.081 611 Q HN 0.286 nan 8.270 nan 0.000 0.517 612 N N -0.793 117.759 118.700 -0.246 0.000 2.143 612 N HA 0.172 4.912 4.740 0.000 0.000 0.222 612 N C -0.993 174.092 175.510 -0.708 0.000 1.264 612 N CA 0.235 52.983 53.050 -0.504 0.000 0.897 612 N CB 1.041 39.046 38.487 -0.803 0.000 1.092 612 N HN -0.017 nan 8.380 nan 0.000 0.516 613 F N 0.148 120.122 119.950 0.041 0.000 2.613 613 F HA 0.350 4.877 4.527 0.000 0.000 0.310 613 F C -0.030 175.908 175.800 0.230 0.000 1.085 613 F CA -0.658 57.432 58.000 0.150 0.000 0.945 613 F CB 1.874 40.979 39.000 0.175 0.000 1.298 613 F HN -0.380 nan 8.300 nan 0.000 0.455 614 T N 2.944 117.683 114.554 0.309 0.000 2.779 614 T HA 0.439 4.789 4.350 0.000 0.000 0.280 614 T C -2.710 171.946 174.700 -0.075 0.000 0.987 614 T CA -1.532 60.611 62.100 0.072 0.000 0.966 614 T CB 1.415 70.300 68.868 0.028 0.000 0.933 614 T HN 0.095 nan 8.240 nan 0.000 0.442 615 P HA 0.117 nan 4.420 nan 0.000 0.264 615 P C 0.013 177.206 177.300 -0.178 0.000 1.193 615 P CA -0.319 62.461 63.100 -0.533 0.000 0.763 615 P CB 0.227 31.550 31.700 -0.628 0.000 0.810 616 S N 4.336 119.986 115.700 -0.083 0.000 2.568 616 S HA 0.221 4.691 4.470 0.000 0.000 0.282 616 S C -2.076 172.515 174.600 -0.014 0.000 1.338 616 S CA -1.066 57.116 58.200 -0.031 0.000 1.045 616 S CB -0.830 62.361 63.200 -0.016 0.000 0.873 616 S HN 0.300 nan 8.310 nan 0.000 0.516 617 P HA 0.104 nan 4.420 nan 0.000 0.264 617 P C -0.756 176.629 177.300 0.143 0.000 1.193 617 P CA -0.243 62.891 63.100 0.057 0.000 0.763 617 P CB 0.045 31.768 31.700 0.039 0.000 0.810 618 F N 3.970 123.902 119.950 -0.030 0.000 2.413 618 F HA 0.314 4.841 4.527 0.000 0.000 0.359 618 F C 0.465 176.255 175.800 -0.016 0.000 1.122 618 F CA -0.653 57.335 58.000 -0.020 0.000 1.160 618 F CB 0.028 39.018 39.000 -0.017 0.000 1.146 618 F HN 0.191 nan 8.300 nan 0.000 0.514 619 T N 0.000 114.843 114.554 0.482 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 62.206 62.100 0.177 0.000 1.349 619 T CB 0.000 68.941 68.868 0.122 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658