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 1euz_1_E DATA FIRST_RESID 4 DATA SEQUENCE IDPFEMAVKQ LERAAQYMDI SEEALEWLKK PMRIVEVSVP IEMDDGSVKV DATA SEQUENCE FTGFRVQHNW ARGPTKGGIR WHPAETLSTV KALATWMTWK VAVVDLPYGG DATA SEQUENCE GKGGIIVNPK ELSEREQERL ARAYIRAVYD VIGPWTDIPA PDVYTNPKIM DATA SEQUENCE GWMMDEYETI MRRKGPAFGV ITGKPLSIGG SLGRGTATAQ GAIFTIREAA DATA SEQUENCE KALGIDLKGK KIAVQGYGNA GYYTAKLAKE QLGMTVVAVS DSRGGIYNPD DATA SEQUENCE GLDPDEVLKW KREHGSVKDF PGATNITNEE LLELEVDVLA PAAIEEVITE DATA SEQUENCE KNADNIKAKI VAEVANGPVT PEADDILREK GILQIPDFLC NAGGVTVSYF DATA SEQUENCE EWVQNINGYY WTEEEVREKL DKKMTKAFWE VYNTHKDKNI HMRDAAYVVA DATA SEQUENCE VSRVYQAMKD RGWVKK 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.174 176.117 0.095 0.000 1.063 4 I CA 0.000 61.351 61.300 0.085 0.000 1.566 4 I CB 0.000 38.071 38.000 0.119 0.000 1.214 5 D N 1.153 121.590 120.400 0.063 0.000 2.149 5 D HA -0.008 4.632 4.640 -0.000 0.000 0.201 5 D C -0.381 175.956 176.300 0.061 0.000 0.972 5 D CA 2.116 56.147 54.000 0.051 0.000 0.835 5 D CB -0.022 40.806 40.800 0.047 0.000 0.966 5 D HN 0.475 nan 8.370 nan 0.000 0.476 6 P HA -0.071 nan 4.420 nan 0.000 0.218 6 P C 1.031 178.342 177.300 0.018 0.000 1.149 6 P CA 0.679 63.841 63.100 0.104 0.000 0.817 6 P CB -0.070 31.703 31.700 0.121 0.000 0.785 7 F N 1.173 121.042 119.950 -0.135 0.000 2.098 7 F HA -0.082 4.445 4.527 -0.000 0.000 0.294 7 F C 2.059 177.761 175.800 -0.163 0.000 1.107 7 F CA 1.375 59.251 58.000 -0.207 0.000 1.234 7 F CB -0.930 37.975 39.000 -0.158 0.000 1.002 7 F HN -0.133 nan 8.300 nan 0.000 0.472 8 E N -0.054 120.004 120.200 -0.236 0.000 2.108 8 E HA -0.364 3.986 4.350 -0.000 0.000 0.203 8 E C 2.296 178.770 176.600 -0.210 0.000 1.022 8 E CA 2.096 58.347 56.400 -0.248 0.000 0.823 8 E CB -0.439 29.210 29.700 -0.084 0.000 0.744 8 E HN 0.503 nan 8.360 nan 0.000 0.456 9 M N 0.185 119.723 119.600 -0.104 0.000 2.117 9 M HA -0.175 4.304 4.480 -0.000 0.000 0.262 9 M C 2.225 178.508 176.300 -0.029 0.000 1.065 9 M CA 1.742 57.040 55.300 -0.004 0.000 1.114 9 M CB -0.016 32.661 32.600 0.128 0.000 1.361 9 M HN 0.146 nan 8.290 nan 0.000 0.408 10 A N -0.528 122.127 122.820 -0.276 0.000 1.898 10 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 10 A C 2.014 179.411 177.584 -0.310 0.000 1.181 10 A CA 1.697 53.432 52.037 -0.503 0.000 0.620 10 A CB -1.005 17.331 19.000 -1.107 0.000 0.819 10 A HN 0.411 nan 8.150 nan 0.000 0.442 11 V N 0.267 119.912 119.914 -0.448 0.000 2.295 11 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 11 V C 2.444 178.431 176.094 -0.179 0.000 1.049 11 V CA 2.360 64.454 62.300 -0.344 0.000 1.024 11 V CB -0.691 30.840 31.823 -0.486 0.000 0.648 11 V HN 0.551 nan 8.190 nan 0.000 0.447 12 K N -0.236 120.075 120.400 -0.149 0.000 2.057 12 K HA -0.268 4.052 4.320 -0.000 0.000 0.207 12 K C 2.276 178.831 176.600 -0.074 0.000 1.049 12 K CA 1.835 58.069 56.287 -0.089 0.000 0.931 12 K CB -0.226 32.240 32.500 -0.056 0.000 0.714 12 K HN 0.447 nan 8.250 nan 0.000 0.440 13 Q N 0.824 120.609 119.800 -0.026 0.000 2.224 13 Q HA -0.139 4.201 4.340 -0.000 0.000 0.203 13 Q C 2.042 177.872 176.000 -0.284 0.000 0.970 13 Q CA 0.725 56.496 55.803 -0.053 0.000 0.865 13 Q CB 0.079 28.930 28.738 0.188 0.000 0.922 13 Q HN 0.202 nan 8.270 nan 0.000 0.445 14 L N 0.630 121.740 121.223 -0.187 0.000 2.023 14 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 14 L C 1.764 178.484 176.870 -0.250 0.000 1.073 14 L CA 1.886 56.563 54.840 -0.272 0.000 0.745 14 L CB -0.345 41.677 42.059 -0.062 0.000 0.900 14 L HN 0.148 nan 8.230 nan 0.000 0.435 15 E N -0.518 119.587 120.200 -0.158 0.000 2.097 15 E HA -0.287 4.063 4.350 -0.000 0.000 0.196 15 E C 2.267 178.786 176.600 -0.134 0.000 1.000 15 E CA 1.234 57.556 56.400 -0.130 0.000 0.804 15 E CB -0.330 29.310 29.700 -0.099 0.000 0.740 15 E HN 0.290 nan 8.360 nan 0.000 0.454 16 R N 1.167 121.589 120.500 -0.131 0.000 2.081 16 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 16 R C 1.867 178.155 176.300 -0.020 0.000 1.131 16 R CA 1.823 57.876 56.100 -0.079 0.000 0.960 16 R CB -0.466 29.794 30.300 -0.067 0.000 0.856 16 R HN 0.185 nan 8.270 nan 0.000 0.436 17 A N 0.247 122.969 122.820 -0.163 0.000 2.072 17 A HA 0.212 4.532 4.320 -0.000 0.000 0.216 17 A C 2.282 179.870 177.584 0.007 0.000 1.156 17 A CA 1.002 53.001 52.037 -0.063 0.000 0.701 17 A CB -0.374 18.297 19.000 -0.549 0.000 0.816 17 A HN 0.441 nan 8.150 nan 0.000 0.458 18 A N -0.854 121.889 122.820 -0.129 0.000 1.978 18 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 18 A C 2.322 179.824 177.584 -0.137 0.000 1.170 18 A CA 2.331 54.286 52.037 -0.136 0.000 0.636 18 A CB -1.038 17.871 19.000 -0.151 0.000 0.810 18 A HN 0.858 nan 8.150 nan 0.000 0.448 19 Q N -1.588 118.088 119.800 -0.207 0.000 2.368 19 Q HA -0.190 4.150 4.340 -0.000 0.000 0.210 19 Q C 1.433 177.122 176.000 -0.519 0.000 0.982 19 Q CA 1.781 57.352 55.803 -0.388 0.000 0.884 19 Q CB -1.218 27.203 28.738 -0.529 0.000 0.933 19 Q HN 0.934 nan 8.270 nan 0.000 0.460 20 Y N -0.334 119.925 120.300 -0.069 0.000 2.571 20 Y HA 0.467 5.017 4.550 -0.000 0.000 0.275 20 Y C 0.653 176.533 175.900 -0.034 0.000 1.179 20 Y CA -0.130 57.946 58.100 -0.042 0.000 1.242 20 Y CB -0.012 38.431 38.460 -0.028 0.000 1.126 20 Y HN 0.556 nan 8.280 nan 0.000 0.524 21 M N -2.934 116.678 119.600 0.020 0.000 2.682 21 M HA 0.460 4.940 4.480 -0.000 0.000 0.272 21 M C -2.010 174.275 176.300 -0.025 0.000 1.232 21 M CA -0.979 54.330 55.300 0.015 0.000 0.849 21 M CB 2.012 34.624 32.600 0.020 0.000 1.695 21 M HN -0.319 nan 8.290 nan 0.000 0.481 22 D N 2.319 122.722 120.400 0.005 0.000 2.339 22 D HA 0.565 5.205 4.640 -0.000 0.000 0.241 22 D C -1.539 174.763 176.300 0.004 0.000 1.183 22 D CA 0.198 54.205 54.000 0.012 0.000 0.859 22 D CB 0.857 41.687 40.800 0.050 0.000 1.067 22 D HN 0.672 nan 8.370 nan 0.000 0.484 23 I N 2.345 122.854 120.570 -0.101 0.000 2.644 23 I HA 0.129 4.299 4.170 -0.000 0.000 0.291 23 I C -0.091 175.915 176.117 -0.184 0.000 1.180 23 I CA -0.510 60.584 61.300 -0.342 0.000 1.040 23 I CB 1.811 39.479 38.000 -0.553 0.000 1.255 23 I HN 0.290 nan 8.210 nan 0.000 0.422 24 S N 4.385 120.043 115.700 -0.071 0.000 2.589 24 S HA 0.067 4.537 4.470 -0.000 0.000 0.265 24 S C 0.908 175.498 174.600 -0.017 0.000 1.342 24 S CA -0.075 58.142 58.200 0.028 0.000 1.005 24 S CB 1.529 64.811 63.200 0.138 0.000 0.909 24 S HN 0.776 nan 8.310 nan 0.000 0.555 25 E N 1.086 121.293 120.200 0.012 0.000 2.110 25 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 25 E C 2.016 178.647 176.600 0.052 0.000 0.988 25 E CA 1.958 58.367 56.400 0.015 0.000 0.804 25 E CB -0.316 29.395 29.700 0.018 0.000 0.745 25 E HN 0.909 nan 8.360 nan 0.000 0.458 26 E N -0.342 119.909 120.200 0.085 0.000 2.107 26 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 26 E C 2.097 178.814 176.600 0.196 0.000 0.982 26 E CA 0.921 57.406 56.400 0.142 0.000 0.809 26 E CB -0.316 29.474 29.700 0.149 0.000 0.756 26 E HN 0.223 nan 8.360 nan 0.000 0.459 27 A N 2.455 125.359 122.820 0.141 0.000 1.877 27 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 27 A C 2.310 179.956 177.584 0.102 0.000 1.186 27 A CA 1.189 53.293 52.037 0.111 0.000 0.620 27 A CB -0.716 18.309 19.000 0.041 0.000 0.822 27 A HN 0.350 nan 8.150 nan 0.000 0.443 28 L N -0.264 120.970 121.223 0.018 0.000 2.012 28 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 28 L C 2.449 179.386 176.870 0.112 0.000 1.073 28 L CA 2.248 57.103 54.840 0.025 0.000 0.748 28 L CB -0.971 41.067 42.059 -0.034 0.000 0.891 28 L HN 0.419 nan 8.230 nan 0.000 0.431 29 E N -0.858 119.414 120.200 0.120 0.000 2.118 29 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 29 E C 1.847 178.564 176.600 0.195 0.000 0.992 29 E CA 1.061 57.536 56.400 0.126 0.000 0.804 29 E CB -0.492 29.267 29.700 0.099 0.000 0.741 29 E HN 0.617 nan 8.360 nan 0.000 0.458 30 W N 1.420 122.745 121.300 0.043 0.000 2.354 30 W HA -0.105 4.555 4.660 -0.000 0.000 0.315 30 W C 1.842 178.397 176.519 0.060 0.000 1.206 30 W CA 0.947 58.314 57.345 0.037 0.000 1.290 30 W CB -0.546 28.952 29.460 0.063 0.000 1.152 30 W HN 0.023 nan 8.180 nan 0.000 0.489 31 L N 0.848 122.362 121.223 0.485 0.000 2.450 31 L HA -0.177 4.163 4.340 -0.000 0.000 0.224 31 L C 2.075 179.241 176.870 0.493 0.000 1.149 31 L CA 1.090 56.223 54.840 0.489 0.000 0.816 31 L CB -0.510 41.831 42.059 0.470 0.000 0.932 31 L HN -0.100 nan 8.230 nan 0.000 0.449 32 K N -0.235 120.349 120.400 0.308 0.000 2.367 32 K HA 0.107 4.427 4.320 -0.000 0.000 0.194 32 K C 0.123 176.884 176.600 0.270 0.000 1.027 32 K CA 0.217 56.639 56.287 0.226 0.000 1.075 32 K CB 0.404 32.958 32.500 0.090 0.000 0.845 32 K HN 0.189 nan 8.250 nan 0.000 0.529 33 K N 2.098 122.627 120.400 0.215 0.000 2.307 33 K HA 0.267 4.587 4.320 -0.000 0.000 0.263 33 K C -2.783 173.857 176.600 0.067 0.000 0.973 33 K CA -2.213 54.158 56.287 0.140 0.000 0.846 33 K CB 1.575 34.056 32.500 -0.032 0.000 1.100 33 K HN -0.209 nan 8.250 nan 0.000 0.438 34 P HA 0.041 nan 4.420 nan 0.000 0.267 34 P C 0.282 177.514 177.300 -0.113 0.000 1.205 34 P CA 0.184 63.309 63.100 0.043 0.000 0.765 34 P CB 0.577 32.288 31.700 0.018 0.000 0.828 35 M N 1.646 121.127 119.600 -0.199 0.000 2.175 35 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 35 M C 1.136 177.433 176.300 -0.006 0.000 1.063 35 M CA 1.681 56.825 55.300 -0.260 0.000 1.119 35 M CB -0.040 32.179 32.600 -0.634 0.000 1.377 35 M HN 0.273 nan 8.290 nan 0.000 0.415 36 R N 0.667 121.261 120.500 0.157 0.000 2.502 36 R HA 0.563 4.903 4.340 -0.000 0.000 0.300 36 R C -1.817 174.526 176.300 0.071 0.000 0.984 36 R CA -0.241 55.943 56.100 0.140 0.000 0.882 36 R CB 1.292 31.717 30.300 0.208 0.000 1.180 36 R HN 0.107 nan 8.270 nan 0.000 0.444 37 I N 4.921 125.506 120.570 0.024 0.000 2.382 37 I HA 0.340 4.510 4.170 -0.000 0.000 0.286 37 I C -0.760 175.383 176.117 0.044 0.000 1.002 37 I CA -1.050 60.258 61.300 0.013 0.000 1.135 37 I CB 2.083 40.056 38.000 -0.046 0.000 1.288 37 I HN 0.246 nan 8.210 nan 0.000 0.448 38 V N 5.774 125.736 119.914 0.080 0.000 2.378 38 V HA 0.301 4.421 4.120 -0.000 0.000 0.288 38 V C -0.079 176.115 176.094 0.166 0.000 1.016 38 V CA -0.614 61.738 62.300 0.088 0.000 0.840 38 V CB 1.681 33.533 31.823 0.049 0.000 0.994 38 V HN 0.724 nan 8.190 nan 0.000 0.431 39 E N 4.424 124.720 120.200 0.161 0.000 2.109 39 E HA 0.602 4.951 4.350 -0.000 0.000 0.278 39 E C -0.935 175.681 176.600 0.027 0.000 0.954 39 E CA -0.500 56.000 56.400 0.167 0.000 0.779 39 E CB 1.722 31.564 29.700 0.238 0.000 1.093 39 E HN 0.645 nan 8.360 nan 0.000 0.401 40 V N 1.352 121.242 119.914 -0.040 0.000 2.680 40 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 40 V C 0.013 176.071 176.094 -0.061 0.000 1.052 40 V CA -1.022 61.254 62.300 -0.041 0.000 0.908 40 V CB 1.772 33.575 31.823 -0.034 0.000 1.001 40 V HN 0.557 nan 8.190 nan 0.000 0.431 41 S N 2.620 118.296 115.700 -0.041 0.000 2.516 41 S HA 0.373 4.843 4.470 -0.000 0.000 0.282 41 S C -0.000 174.598 174.600 -0.003 0.000 1.286 41 S CA -0.233 57.947 58.200 -0.034 0.000 1.066 41 S CB 0.742 63.921 63.200 -0.035 0.000 0.884 41 S HN 0.803 nan 8.310 nan 0.000 0.491 42 V N 7.311 127.243 119.914 0.029 0.000 2.250 42 V HA 0.308 4.427 4.120 -0.000 0.000 0.268 42 V C -2.180 173.980 176.094 0.109 0.000 1.043 42 V CA -1.705 60.647 62.300 0.087 0.000 0.814 42 V CB 0.747 32.654 31.823 0.140 0.000 1.072 42 V HN 0.628 nan 8.190 nan 0.000 0.451 43 P HA 0.551 nan 4.420 nan 0.000 0.290 43 P C -0.635 176.702 177.300 0.060 0.000 1.276 43 P CA -0.327 62.788 63.100 0.024 0.000 0.808 43 P CB 2.012 33.702 31.700 -0.016 0.000 0.966 44 I N -1.580 119.038 120.570 0.080 0.000 2.785 44 I HA 0.552 4.722 4.170 -0.000 0.000 0.302 44 I C -0.377 175.757 176.117 0.029 0.000 1.069 44 I CA -1.368 59.974 61.300 0.071 0.000 1.045 44 I CB 2.775 40.847 38.000 0.120 0.000 1.236 44 I HN 0.181 nan 8.210 nan 0.000 0.429 45 E N 5.911 126.117 120.200 0.009 0.000 2.129 45 E HA 0.218 4.568 4.350 -0.000 0.000 0.283 45 E C -0.419 176.183 176.600 0.003 0.000 1.080 45 E CA -0.797 55.600 56.400 -0.004 0.000 0.867 45 E CB 0.705 30.396 29.700 -0.014 0.000 1.056 45 E HN 0.497 nan 8.360 nan 0.000 0.404 46 M N 3.315 122.920 119.600 0.007 0.000 2.252 46 M HA -0.072 4.408 4.480 -0.000 0.000 0.329 46 M C 0.860 177.158 176.300 -0.002 0.000 1.101 46 M CA 0.400 55.707 55.300 0.012 0.000 1.117 46 M CB 0.164 32.770 32.600 0.010 0.000 1.563 46 M HN 0.557 nan 8.290 nan 0.000 0.445 47 D N 1.681 122.079 120.400 -0.003 0.000 2.191 47 D HA -0.205 4.435 4.640 -0.000 0.000 0.195 47 D C 1.013 177.308 176.300 -0.009 0.000 1.003 47 D CA 1.767 55.762 54.000 -0.009 0.000 0.867 47 D CB -0.202 40.594 40.800 -0.006 0.000 0.926 47 D HN 0.662 nan 8.370 nan 0.000 0.450 48 D N -1.100 119.296 120.400 -0.007 0.000 2.323 48 D HA 0.102 4.742 4.640 -0.000 0.000 0.239 48 D C 1.476 177.769 176.300 -0.012 0.000 1.129 48 D CA 0.792 54.787 54.000 -0.009 0.000 0.865 48 D CB -0.319 40.476 40.800 -0.008 0.000 0.913 48 D HN 0.235 nan 8.370 nan 0.000 0.517 49 G N 0.198 108.991 108.800 -0.013 0.000 2.220 49 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.269 49 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.269 49 G C 0.460 175.348 174.900 -0.019 0.000 0.977 49 G CA 0.697 45.788 45.100 -0.016 0.000 0.634 49 G HN 0.887 nan 8.290 nan 0.000 0.539 50 S N -0.759 114.929 115.700 -0.020 0.000 2.592 50 S HA 0.653 5.123 4.470 -0.000 0.000 0.271 50 S C 0.080 174.659 174.600 -0.035 0.000 1.326 50 S CA -0.247 57.935 58.200 -0.029 0.000 1.024 50 S CB 2.472 65.653 63.200 -0.032 0.000 0.921 50 S HN 0.941 nan 8.310 nan 0.000 0.527 51 V N 2.869 122.754 119.914 -0.048 0.000 2.370 51 V HA 0.454 4.574 4.120 -0.000 0.000 0.279 51 V C 0.215 176.245 176.094 -0.107 0.000 1.029 51 V CA -0.535 61.729 62.300 -0.059 0.000 0.870 51 V CB 1.043 32.835 31.823 -0.052 0.000 0.984 51 V HN 0.939 nan 8.190 nan 0.000 0.451 52 K N 3.989 124.301 120.400 -0.147 0.000 2.244 52 K HA 0.644 4.964 4.320 -0.000 0.000 0.260 52 K C -1.193 175.151 176.600 -0.428 0.000 0.951 52 K CA -0.596 55.493 56.287 -0.329 0.000 0.826 52 K CB 1.948 34.159 32.500 -0.481 0.000 1.108 52 K HN 0.464 nan 8.250 nan 0.000 0.433 53 V N 5.884 125.544 119.914 -0.423 0.000 2.348 53 V HA 0.288 4.408 4.120 -0.000 0.000 0.270 53 V C -0.452 175.351 176.094 -0.486 0.000 1.037 53 V CA -0.515 61.588 62.300 -0.329 0.000 0.872 53 V CB -0.132 31.581 31.823 -0.183 0.000 1.002 53 V HN 0.581 nan 8.190 nan 0.000 0.464 54 F N 1.878 121.767 119.950 -0.102 0.000 2.379 54 F HA 0.402 4.929 4.527 -0.000 0.000 0.332 54 F C 1.143 176.854 175.800 -0.149 0.000 1.096 54 F CA -0.412 57.509 58.000 -0.132 0.000 1.105 54 F CB 1.169 40.062 39.000 -0.179 0.000 1.189 54 F HN 0.295 nan 8.300 nan 0.000 0.515 55 T N 2.112 116.661 114.554 -0.008 0.000 2.729 55 T HA 0.481 4.831 4.350 -0.000 0.000 0.296 55 T C 0.384 174.865 174.700 -0.365 0.000 0.928 55 T CA -0.537 61.438 62.100 -0.208 0.000 1.045 55 T CB 0.552 69.267 68.868 -0.256 0.000 0.902 55 T HN 0.813 nan 8.240 nan 0.000 0.500 56 G N 1.861 110.459 108.800 -0.337 0.000 2.509 56 G HA2 0.761 4.721 3.960 -0.000 0.000 0.328 56 G HA3 0.761 4.721 3.960 -0.000 0.000 0.328 56 G C -1.455 173.184 174.900 -0.435 0.000 1.194 56 G CA -0.636 44.320 45.100 -0.239 0.000 0.967 56 G HN 0.520 nan 8.290 nan 0.000 0.488 57 F N -0.930 119.179 119.950 0.266 0.000 2.601 57 F HA 0.736 5.263 4.527 -0.000 0.000 0.309 57 F C -0.002 175.934 175.800 0.228 0.000 1.089 57 F CA -0.977 57.127 58.000 0.172 0.000 0.940 57 F CB 2.942 42.008 39.000 0.110 0.000 1.273 57 F HN 0.417 nan 8.300 nan 0.000 0.450 58 R N 1.338 122.038 120.500 0.334 0.000 2.538 58 R HA 0.811 5.151 4.340 -0.000 0.000 0.292 58 R C -2.297 174.088 176.300 0.142 0.000 1.008 58 R CA -0.613 55.626 56.100 0.231 0.000 0.896 58 R CB 1.781 32.169 30.300 0.147 0.000 1.187 58 R HN 0.474 nan 8.270 nan 0.000 0.440 59 V N 5.571 125.549 119.914 0.106 0.000 2.409 59 V HA 0.422 4.542 4.120 -0.000 0.000 0.291 59 V C -0.612 175.532 176.094 0.083 0.000 1.020 59 V CA -0.703 61.634 62.300 0.061 0.000 0.848 59 V CB 1.770 33.588 31.823 -0.009 0.000 0.990 59 V HN 0.711 nan 8.190 nan 0.000 0.430 60 Q N 3.867 123.743 119.800 0.126 0.000 2.431 60 Q HA 0.358 4.698 4.340 -0.000 0.000 0.249 60 Q C 0.652 176.799 176.000 0.245 0.000 1.025 60 Q CA -0.573 55.357 55.803 0.212 0.000 0.835 60 Q CB 1.510 30.412 28.738 0.272 0.000 1.207 60 Q HN 0.854 nan 8.270 nan 0.000 0.490 61 H N 3.260 122.380 119.070 0.083 0.000 2.333 61 H HA 0.030 4.586 4.556 -0.000 0.000 0.302 61 H C -0.281 175.055 175.328 0.014 0.000 1.075 61 H CA 1.067 57.115 56.048 0.001 0.000 1.348 61 H CB 0.839 30.536 29.762 -0.107 0.000 1.393 61 H HN 0.605 nan 8.280 nan 0.000 0.509 62 N N -0.968 117.652 118.700 -0.134 0.000 2.635 62 N HA -0.037 4.703 4.740 -0.000 0.000 0.260 62 N C -1.558 174.047 175.510 0.159 0.000 1.078 62 N CA -0.332 52.610 53.050 -0.181 0.000 1.012 62 N CB 0.588 38.931 38.487 -0.239 0.000 1.677 62 N HN 0.370 nan 8.380 nan 0.000 0.514 63 W N 3.387 124.869 121.300 0.303 0.000 2.357 63 W HA 0.619 5.279 4.660 -0.000 0.000 0.386 63 W C 0.827 177.526 176.519 0.300 0.000 0.889 63 W CA -0.275 57.236 57.345 0.276 0.000 2.425 63 W CB -0.475 29.132 29.460 0.245 0.000 1.244 63 W HN 0.564 nan 8.180 nan 0.000 0.646 64 A N 1.872 124.767 122.820 0.125 0.000 1.892 64 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 64 A C 2.187 179.717 177.584 -0.090 0.000 1.188 64 A CA 1.581 53.434 52.037 -0.307 0.000 0.631 64 A CB -0.318 18.399 19.000 -0.472 0.000 0.822 64 A HN 0.346 nan 8.150 nan 0.000 0.447 65 R N -0.951 119.573 120.500 0.040 0.000 2.240 65 R HA 0.229 4.569 4.340 -0.000 0.000 0.203 65 R C 0.920 177.301 176.300 0.135 0.000 1.011 65 R CA 0.873 57.008 56.100 0.058 0.000 1.007 65 R CB -0.091 30.244 30.300 0.059 0.000 0.911 65 R HN 0.607 nan 8.270 nan 0.000 0.468 66 G N 0.633 109.575 108.800 0.236 0.000 2.327 66 G HA2 0.068 4.028 3.960 -0.000 0.000 0.291 66 G HA3 0.068 4.028 3.960 -0.000 0.000 0.291 66 G C -3.083 172.028 174.900 0.351 0.000 1.290 66 G CA -1.085 44.197 45.100 0.302 0.000 0.857 66 G HN -0.247 nan 8.290 nan 0.000 0.520 67 P HA 0.213 nan 4.420 nan 0.000 0.264 67 P C 0.861 178.198 177.300 0.061 0.000 1.193 67 P CA 0.472 63.676 63.100 0.173 0.000 0.763 67 P CB 0.123 31.872 31.700 0.083 0.000 0.810 68 T N 0.577 115.166 114.554 0.058 0.000 2.937 68 T HA 0.199 4.549 4.350 -0.000 0.000 0.316 68 T C -0.011 174.527 174.700 -0.271 0.000 1.079 68 T CA -0.156 61.932 62.100 -0.019 0.000 1.131 68 T CB 0.422 69.339 68.868 0.083 0.000 1.000 68 T HN 0.336 nan 8.240 nan 0.000 0.549 69 K N 0.629 120.831 120.400 -0.329 0.000 2.422 69 K HA 0.720 5.040 4.320 -0.000 0.000 0.251 69 K C -0.303 176.147 176.600 -0.250 0.000 0.933 69 K CA 0.052 56.049 56.287 -0.484 0.000 0.798 69 K CB 1.823 33.791 32.500 -0.886 0.000 1.238 69 K HN 1.274 nan 8.250 nan 0.000 0.428 70 G N 0.550 109.228 108.800 -0.203 0.000 2.350 70 G HA2 0.378 4.338 3.960 -0.000 0.000 0.304 70 G HA3 0.378 4.338 3.960 -0.000 0.000 0.304 70 G C -0.865 173.990 174.900 -0.074 0.000 1.421 70 G CA -0.461 44.570 45.100 -0.114 0.000 0.934 70 G HN 0.769 nan 8.290 nan 0.000 0.632 71 G N -1.352 107.416 108.800 -0.053 0.000 2.522 71 G HA2 0.652 4.612 3.960 -0.000 0.000 0.304 71 G HA3 0.652 4.612 3.960 -0.000 0.000 0.304 71 G C -0.430 174.456 174.900 -0.024 0.000 1.210 71 G CA -0.792 44.276 45.100 -0.053 0.000 0.960 71 G HN 0.769 nan 8.290 nan 0.000 0.497 72 I N 0.334 120.870 120.570 -0.057 0.000 2.389 72 I HA 0.346 4.516 4.170 -0.000 0.000 0.288 72 I C -0.020 176.052 176.117 -0.076 0.000 0.999 72 I CA -0.546 60.724 61.300 -0.051 0.000 1.129 72 I CB 1.807 39.734 38.000 -0.122 0.000 1.288 72 I HN 0.341 nan 8.210 nan 0.000 0.444 73 R N 5.129 125.658 120.500 0.050 0.000 2.407 73 R HA 0.445 4.785 4.340 -0.000 0.000 0.303 73 R C -1.651 174.861 176.300 0.352 0.000 0.981 73 R CA -0.670 55.490 56.100 0.100 0.000 0.905 73 R CB 1.431 31.788 30.300 0.094 0.000 1.099 73 R HN 0.410 nan 8.270 nan 0.000 0.459 74 W N 3.554 124.898 121.300 0.072 0.000 2.296 74 W HA 0.346 5.006 4.660 -0.000 0.000 0.316 74 W C 0.081 176.747 176.519 0.246 0.000 1.022 74 W CA -0.309 57.093 57.345 0.096 0.000 1.324 74 W CB 0.409 29.895 29.460 0.042 0.000 1.227 74 W HN 0.443 nan 8.180 nan 0.000 0.409 75 H N 4.428 123.680 119.070 0.303 0.000 3.038 75 H HA 0.176 4.732 4.556 -0.000 0.000 0.362 75 H C -1.852 173.587 175.328 0.185 0.000 1.167 75 H CA -1.538 54.673 56.048 0.271 0.000 1.197 75 H CB 3.360 33.237 29.762 0.191 0.000 1.840 75 H HN -0.014 nan 8.280 nan 0.000 0.540 76 P HA 0.013 nan 4.420 nan 0.000 0.233 76 P C 0.642 178.070 177.300 0.214 0.000 1.167 76 P CA 0.734 63.885 63.100 0.086 0.000 0.770 76 P CB 0.294 31.997 31.700 0.005 0.000 0.837 77 A N -0.924 122.151 122.820 0.426 0.000 2.348 77 A HA 0.123 4.443 4.320 -0.000 0.000 0.224 77 A C 0.882 178.613 177.584 0.244 0.000 1.227 77 A CA 0.002 52.235 52.037 0.327 0.000 0.885 77 A CB -0.541 18.662 19.000 0.340 0.000 0.933 77 A HN -0.022 nan 8.150 nan 0.000 0.506 78 E N 1.751 122.121 120.200 0.283 0.000 2.452 78 E HA 0.297 4.646 4.350 -0.000 0.000 0.261 78 E C 0.437 177.171 176.600 0.225 0.000 0.987 78 E CA 0.821 57.368 56.400 0.244 0.000 0.926 78 E CB 0.420 30.312 29.700 0.319 0.000 0.934 78 E HN 0.503 nan 8.360 nan 0.000 0.452 79 T N 0.812 115.428 114.554 0.104 0.000 2.901 79 T HA 0.283 4.633 4.350 -0.000 0.000 0.293 79 T C 0.679 175.136 174.700 -0.405 0.000 1.084 79 T CA -0.931 61.159 62.100 -0.017 0.000 1.008 79 T CB 0.808 69.669 68.868 -0.012 0.000 1.170 79 T HN 0.254 nan 8.240 nan 0.000 0.509 80 L N 1.643 122.419 121.223 -0.745 0.000 2.012 80 L HA 0.003 4.343 4.340 -0.000 0.000 0.210 80 L C 2.748 179.327 176.870 -0.484 0.000 1.073 80 L CA 2.562 56.821 54.840 -0.969 0.000 0.748 80 L CB -1.288 40.358 42.059 -0.689 0.000 0.891 80 L HN 0.960 nan 8.230 nan 0.000 0.431 81 S N -1.829 113.701 115.700 -0.283 0.000 2.383 81 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 81 S C 1.864 176.410 174.600 -0.091 0.000 1.030 81 S CA 1.956 60.065 58.200 -0.152 0.000 1.002 81 S CB -0.390 62.793 63.200 -0.028 0.000 0.829 81 S HN 0.674 nan 8.310 nan 0.000 0.467 82 T N 1.267 115.770 114.554 -0.085 0.000 2.812 82 T HA 0.006 4.356 4.350 -0.000 0.000 0.264 82 T C 1.852 176.530 174.700 -0.036 0.000 1.042 82 T CA 1.383 63.476 62.100 -0.012 0.000 1.140 82 T CB -0.407 68.471 68.868 0.017 0.000 0.870 82 T HN 0.288 nan 8.240 nan 0.000 0.445 83 V N 1.391 121.230 119.914 -0.125 0.000 2.358 83 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 83 V C 2.454 178.476 176.094 -0.120 0.000 1.047 83 V CA 1.461 63.706 62.300 -0.092 0.000 1.035 83 V CB -0.499 31.253 31.823 -0.117 0.000 0.658 83 V HN 0.419 nan 8.190 nan 0.000 0.452 84 K N 0.450 120.711 120.400 -0.232 0.000 2.020 84 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 84 K C 2.342 178.843 176.600 -0.164 0.000 1.050 84 K CA 1.762 57.867 56.287 -0.304 0.000 0.929 84 K CB -0.567 31.510 32.500 -0.705 0.000 0.714 84 K HN 0.467 nan 8.250 nan 0.000 0.443 85 A N 1.230 123.992 122.820 -0.098 0.000 1.873 85 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 85 A C 2.156 179.517 177.584 -0.372 0.000 1.193 85 A CA 1.654 53.484 52.037 -0.346 0.000 0.629 85 A CB -0.806 17.981 19.000 -0.356 0.000 0.826 85 A HN 0.209 nan 8.150 nan 0.000 0.447 86 L N -0.950 120.299 121.223 0.042 0.000 2.141 86 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 86 L C 3.015 179.907 176.870 0.037 0.000 1.094 86 L CA 0.840 55.823 54.840 0.239 0.000 0.763 86 L CB -0.472 41.702 42.059 0.192 0.000 0.908 86 L HN 0.431 nan 8.230 nan 0.000 0.437 87 A N -0.221 122.562 122.820 -0.063 0.000 1.873 87 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 87 A C 2.394 179.820 177.584 -0.264 0.000 1.186 87 A CA 2.286 54.268 52.037 -0.092 0.000 0.616 87 A CB -0.944 18.034 19.000 -0.037 0.000 0.823 87 A HN 0.359 nan 8.150 nan 0.000 0.442 88 T N -1.147 113.125 114.554 -0.470 0.000 2.652 88 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 88 T C 1.618 175.692 174.700 -1.044 0.000 1.039 88 T CA 1.389 62.844 62.100 -1.075 0.000 1.153 88 T CB -0.377 68.025 68.868 -0.775 0.000 0.863 88 T HN 0.645 nan 8.240 nan 0.000 0.428 89 W N 0.790 121.768 121.300 -0.537 0.000 2.364 89 W HA 0.029 4.689 4.660 -0.000 0.000 0.281 89 W C 2.262 178.455 176.519 -0.544 0.000 1.219 89 W CA 0.451 57.517 57.345 -0.466 0.000 1.220 89 W CB -1.003 28.366 29.460 -0.152 0.000 1.127 89 W HN 0.274 nan 8.180 nan 0.000 0.556 90 M N 0.073 119.543 119.600 -0.217 0.000 2.229 90 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 90 M C 1.972 178.119 176.300 -0.254 0.000 1.063 90 M CA 1.755 56.949 55.300 -0.176 0.000 1.114 90 M CB -0.947 31.588 32.600 -0.108 0.000 1.387 90 M HN -0.278 nan 8.290 nan 0.000 0.420 91 T N -0.573 113.710 114.554 -0.452 0.000 2.759 91 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 91 T C 1.329 175.887 174.700 -0.236 0.000 1.042 91 T CA 1.937 63.813 62.100 -0.374 0.000 1.140 91 T CB -0.577 68.015 68.868 -0.459 0.000 0.864 91 T HN 0.625 nan 8.240 nan 0.000 0.455 92 W N 1.422 122.622 121.300 -0.167 0.000 2.381 92 W HA 0.045 4.705 4.660 -0.000 0.000 0.301 92 W C 2.596 178.913 176.519 -0.337 0.000 1.205 92 W CA 0.207 57.328 57.345 -0.373 0.000 1.285 92 W CB -0.140 28.783 29.460 -0.894 0.000 1.133 92 W HN 0.141 nan 8.180 nan 0.000 0.521 93 K N 1.297 121.618 120.400 -0.131 0.000 2.026 93 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 93 K C 1.949 178.604 176.600 0.092 0.000 1.048 93 K CA 2.221 58.547 56.287 0.064 0.000 0.929 93 K CB -0.402 32.127 32.500 0.047 0.000 0.713 93 K HN 0.144 nan 8.250 nan 0.000 0.439 94 V N -1.384 118.555 119.914 0.043 0.000 2.515 94 V HA -0.085 4.035 4.120 -0.000 0.000 0.250 94 V C 2.217 178.337 176.094 0.044 0.000 1.058 94 V CA 1.648 63.977 62.300 0.048 0.000 1.064 94 V CB -1.013 30.864 31.823 0.089 0.000 0.675 94 V HN 0.332 nan 8.190 nan 0.000 0.461 95 A N -0.031 122.842 122.820 0.089 0.000 1.929 95 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 95 A C 2.399 180.053 177.584 0.117 0.000 1.176 95 A CA 1.701 53.803 52.037 0.109 0.000 0.628 95 A CB -0.710 18.398 19.000 0.181 0.000 0.816 95 A HN 0.404 nan 8.150 nan 0.000 0.444 96 V N 0.575 120.590 119.914 0.167 0.000 2.515 96 V HA -0.168 3.952 4.120 -0.000 0.000 0.250 96 V C 2.183 178.338 176.094 0.102 0.000 1.058 96 V CA 2.108 64.514 62.300 0.176 0.000 1.064 96 V CB -0.004 32.011 31.823 0.321 0.000 0.675 96 V HN 0.537 nan 8.190 nan 0.000 0.461 97 V N -2.478 117.481 119.914 0.076 0.000 3.633 97 V HA 0.326 4.446 4.120 -0.000 0.000 0.283 97 V C 0.818 176.905 176.094 -0.012 0.000 1.305 97 V CA 0.590 62.910 62.300 0.034 0.000 1.153 97 V CB -0.476 31.358 31.823 0.018 0.000 0.950 97 V HN 0.607 nan 8.190 nan 0.000 0.432 98 D N 0.300 120.693 120.400 -0.012 0.000 2.737 98 D HA -0.164 4.476 4.640 -0.000 0.000 0.243 98 D C -0.396 175.809 176.300 -0.157 0.000 1.109 98 D CA 0.556 54.532 54.000 -0.041 0.000 0.702 98 D CB -1.404 39.394 40.800 -0.005 0.000 1.068 98 D HN 0.567 nan 8.370 nan 0.000 0.432 99 L N 0.432 121.523 121.223 -0.220 0.000 2.343 99 L HA 0.478 4.818 4.340 -0.000 0.000 0.275 99 L C -1.313 175.331 176.870 -0.378 0.000 1.056 99 L CA -1.839 52.705 54.840 -0.492 0.000 0.804 99 L CB 1.271 43.039 42.059 -0.485 0.000 1.203 99 L HN -0.052 nan 8.230 nan 0.000 0.440 100 P HA 0.104 nan 4.420 nan 0.000 0.228 100 P C -1.244 175.933 177.300 -0.206 0.000 1.748 100 P CA 0.312 63.266 63.100 -0.242 0.000 0.909 100 P CB -0.242 31.400 31.700 -0.096 0.000 1.882 101 Y N -0.458 119.786 120.300 -0.092 0.000 2.698 101 Y HA 0.720 5.270 4.550 -0.000 0.000 0.332 101 Y C 1.144 177.043 175.900 -0.003 0.000 1.119 101 Y CA -0.978 57.071 58.100 -0.084 0.000 1.109 101 Y CB 0.886 39.244 38.460 -0.170 0.000 1.308 101 Y HN 0.028 nan 8.280 nan 0.000 0.499 102 G N -1.058 107.873 108.800 0.218 0.000 3.251 102 G HA2 0.552 4.512 3.960 -0.000 0.000 0.248 102 G HA3 0.552 4.512 3.960 -0.000 0.000 0.248 102 G C -1.028 173.912 174.900 0.066 0.000 1.320 102 G CA -0.698 44.495 45.100 0.154 0.000 0.982 102 G HN 0.800 nan 8.290 nan 0.000 0.575 103 G N -1.181 107.657 108.800 0.062 0.000 2.417 103 G HA2 0.640 4.600 3.960 -0.000 0.000 0.320 103 G HA3 0.640 4.600 3.960 -0.000 0.000 0.320 103 G C -0.262 174.657 174.900 0.032 0.000 1.204 103 G CA 0.198 45.291 45.100 -0.011 0.000 0.923 103 G HN 0.954 nan 8.290 nan 0.000 0.466 104 G N 0.356 109.144 108.800 -0.019 0.000 2.605 104 G HA2 0.683 4.643 3.960 -0.000 0.000 0.296 104 G HA3 0.683 4.643 3.960 -0.000 0.000 0.296 104 G C -1.441 173.454 174.900 -0.008 0.000 1.304 104 G CA -0.779 44.325 45.100 0.006 0.000 0.941 104 G HN 0.669 nan 8.290 nan 0.000 0.475 105 K N -1.074 119.341 120.400 0.026 0.000 2.551 105 K HA 0.711 5.031 4.320 -0.000 0.000 0.269 105 K C -0.289 176.371 176.600 0.099 0.000 0.949 105 K CA -0.159 56.151 56.287 0.039 0.000 0.849 105 K CB 2.127 34.643 32.500 0.027 0.000 1.411 105 K HN 1.050 nan 8.250 nan 0.000 0.432 106 G N -0.275 108.603 108.800 0.129 0.000 2.733 106 G HA2 0.795 4.755 3.960 -0.000 0.000 0.288 106 G HA3 0.795 4.755 3.960 -0.000 0.000 0.288 106 G C -1.079 173.943 174.900 0.202 0.000 1.373 106 G CA -0.567 44.669 45.100 0.227 0.000 0.895 106 G HN 0.756 nan 8.290 nan 0.000 0.479 107 G N -1.295 107.678 108.800 0.287 0.000 2.601 107 G HA2 0.566 4.526 3.960 -0.000 0.000 0.291 107 G HA3 0.566 4.526 3.960 -0.000 0.000 0.291 107 G C -1.704 173.327 174.900 0.218 0.000 1.456 107 G CA -0.668 44.595 45.100 0.271 0.000 0.804 107 G HN 0.686 nan 8.290 nan 0.000 0.499 108 I N 0.598 121.250 120.570 0.136 0.000 2.498 108 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 108 I C -0.243 175.881 176.117 0.011 0.000 1.032 108 I CA -0.810 60.446 61.300 -0.073 0.000 1.073 108 I CB 2.469 40.188 38.000 -0.468 0.000 1.251 108 I HN 0.283 nan 8.210 nan 0.000 0.426 109 I N 6.820 127.412 120.570 0.036 0.000 2.357 109 I HA 0.209 4.379 4.170 -0.000 0.000 0.300 109 I C -0.341 175.821 176.117 0.075 0.000 1.159 109 I CA 0.147 61.513 61.300 0.110 0.000 1.339 109 I CB 0.187 38.272 38.000 0.142 0.000 1.458 109 I HN 0.259 nan 8.210 nan 0.000 0.577 110 V N 5.914 125.820 119.914 -0.015 0.000 3.048 110 V HA 0.381 4.501 4.120 -0.000 0.000 0.303 110 V C -1.140 174.906 176.094 -0.081 0.000 1.214 110 V CA -0.731 61.491 62.300 -0.130 0.000 0.984 110 V CB 2.634 34.072 31.823 -0.641 0.000 1.054 110 V HN 0.656 nan 8.190 nan 0.000 0.430 111 N N 7.020 125.678 118.700 -0.071 0.000 2.500 111 N HA 0.478 5.218 4.740 -0.000 0.000 0.236 111 N C -1.650 173.794 175.510 -0.111 0.000 1.022 111 N CA -2.185 50.810 53.050 -0.092 0.000 0.935 111 N CB 1.809 40.255 38.487 -0.069 0.000 1.147 111 N HN 0.493 nan 8.380 nan 0.000 0.512 112 P HA -0.059 nan 4.420 nan 0.000 0.230 112 P C 0.353 177.613 177.300 -0.067 0.000 1.158 112 P CA 0.896 63.983 63.100 -0.022 0.000 0.769 112 P CB 0.447 32.264 31.700 0.194 0.000 0.807 113 K N 0.238 120.550 120.400 -0.148 0.000 2.366 113 K HA -0.027 4.293 4.320 -0.000 0.000 0.198 113 K C 1.456 178.016 176.600 -0.067 0.000 1.044 113 K CA 0.761 56.973 56.287 -0.125 0.000 0.973 113 K CB -0.021 32.377 32.500 -0.171 0.000 0.767 113 K HN 0.293 nan 8.250 nan 0.000 0.475 114 E N 0.618 120.784 120.200 -0.056 0.000 2.465 114 E HA 0.115 4.465 4.350 -0.000 0.000 0.191 114 E C -0.286 176.306 176.600 -0.013 0.000 1.053 114 E CA -0.005 56.379 56.400 -0.026 0.000 0.869 114 E CB 0.321 30.013 29.700 -0.013 0.000 0.977 114 E HN 0.154 nan 8.360 nan 0.000 0.483 115 L N 1.373 122.584 121.223 -0.019 0.000 2.341 115 L HA 0.275 4.615 4.340 -0.000 0.000 0.278 115 L C 0.521 177.401 176.870 0.017 0.000 1.005 115 L CA -0.853 53.982 54.840 -0.008 0.000 0.818 115 L CB 1.793 43.827 42.059 -0.042 0.000 1.259 115 L HN 0.037 nan 8.230 nan 0.000 0.418 116 S N 1.196 116.906 115.700 0.017 0.000 2.596 116 S HA 0.076 4.545 4.470 -0.000 0.000 0.260 116 S C 0.943 175.575 174.600 0.054 0.000 1.336 116 S CA -0.492 57.724 58.200 0.027 0.000 0.993 116 S CB 1.066 64.273 63.200 0.012 0.000 0.923 116 S HN 0.640 nan 8.310 nan 0.000 0.567 117 E N 0.836 121.080 120.200 0.074 0.000 2.130 117 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 117 E C 2.109 178.723 176.600 0.022 0.000 0.998 117 E CA 1.069 57.547 56.400 0.131 0.000 0.806 117 E CB -0.138 29.649 29.700 0.146 0.000 0.738 117 E HN 0.504 nan 8.360 nan 0.000 0.459 118 R N 0.575 121.054 120.500 -0.034 0.000 2.090 118 R HA -0.026 4.314 4.340 -0.000 0.000 0.228 118 R C 2.107 178.332 176.300 -0.125 0.000 1.110 118 R CA 0.705 56.735 56.100 -0.117 0.000 0.973 118 R CB -0.337 29.919 30.300 -0.075 0.000 0.869 118 R HN 0.339 nan 8.270 nan 0.000 0.440 119 E N 0.499 120.665 120.200 -0.057 0.000 2.150 119 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 119 E C 2.042 178.612 176.600 -0.050 0.000 0.985 119 E CA 0.738 57.111 56.400 -0.045 0.000 0.814 119 E CB 0.048 29.738 29.700 -0.016 0.000 0.752 119 E HN 0.383 nan 8.360 nan 0.000 0.466 120 Q N 0.554 120.366 119.800 0.020 0.000 2.050 120 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 120 Q C 2.176 178.268 176.000 0.153 0.000 0.980 120 Q CA 1.410 57.336 55.803 0.205 0.000 0.840 120 Q CB -0.053 28.951 28.738 0.444 0.000 0.898 120 Q HN 0.279 nan 8.270 nan 0.000 0.424 121 E N 0.863 120.844 120.200 -0.364 0.000 2.110 121 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 121 E C 1.956 178.383 176.600 -0.289 0.000 0.988 121 E CA 0.837 56.736 56.400 -0.835 0.000 0.804 121 E CB 0.135 28.904 29.700 -1.551 0.000 0.745 121 E HN 0.200 nan 8.360 nan 0.000 0.458 122 R N -0.029 120.355 120.500 -0.193 0.000 2.073 122 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 122 R C 2.581 178.876 176.300 -0.008 0.000 1.134 122 R CA 1.353 57.402 56.100 -0.085 0.000 0.952 122 R CB -0.440 29.820 30.300 -0.065 0.000 0.850 122 R HN 0.241 nan 8.270 nan 0.000 0.433 123 L N 0.670 121.878 121.223 -0.025 0.000 2.093 123 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 123 L C 2.282 179.226 176.870 0.124 0.000 1.085 123 L CA 1.765 56.557 54.840 -0.081 0.000 0.755 123 L CB -0.472 41.319 42.059 -0.448 0.000 0.904 123 L HN 0.126 nan 8.230 nan 0.000 0.435 124 A N -0.301 122.732 122.820 0.355 0.000 1.877 124 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 124 A C 2.410 180.215 177.584 0.369 0.000 1.186 124 A CA 1.901 54.253 52.037 0.525 0.000 0.620 124 A CB -0.539 18.844 19.000 0.639 0.000 0.822 124 A HN 0.496 nan 8.150 nan 0.000 0.443 125 R N -0.644 119.991 120.500 0.225 0.000 2.092 125 R HA 0.001 4.341 4.340 -0.000 0.000 0.231 125 R C 2.397 178.789 176.300 0.154 0.000 1.119 125 R CA 1.070 57.271 56.100 0.168 0.000 0.970 125 R CB -0.403 29.939 30.300 0.070 0.000 0.864 125 R HN 0.503 nan 8.270 nan 0.000 0.440 126 A N 0.266 123.167 122.820 0.136 0.000 1.969 126 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 126 A C 1.864 179.541 177.584 0.156 0.000 1.169 126 A CA 0.881 52.986 52.037 0.114 0.000 0.635 126 A CB -0.507 18.546 19.000 0.088 0.000 0.810 126 A HN 0.389 nan 8.150 nan 0.000 0.445 127 Y N 0.806 121.167 120.300 0.101 0.000 2.109 127 Y HA -0.185 4.365 4.550 -0.000 0.000 0.285 127 Y C 2.073 178.061 175.900 0.147 0.000 1.131 127 Y CA 1.545 59.716 58.100 0.119 0.000 1.121 127 Y CB -0.203 38.367 38.460 0.183 0.000 0.987 127 Y HN 0.224 nan 8.280 nan 0.000 0.495 128 I N 0.599 121.280 120.570 0.184 0.000 2.194 128 I HA -0.328 3.842 4.170 -0.000 0.000 0.246 128 I C 2.337 178.546 176.117 0.153 0.000 1.093 128 I CA 1.679 63.074 61.300 0.157 0.000 1.355 128 I CB -1.257 36.917 38.000 0.290 0.000 1.046 128 I HN 0.302 nan 8.210 nan 0.000 0.413 129 R N 0.536 121.105 120.500 0.115 0.000 2.120 129 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 129 R C 2.315 178.644 176.300 0.049 0.000 1.123 129 R CA 1.396 57.539 56.100 0.071 0.000 0.975 129 R CB -0.287 30.032 30.300 0.032 0.000 0.866 129 R HN 0.393 nan 8.270 nan 0.000 0.446 130 A N 0.475 123.296 122.820 0.001 0.000 1.935 130 A HA -0.029 4.291 4.320 -0.000 0.000 0.214 130 A C 1.974 179.519 177.584 -0.064 0.000 1.178 130 A CA 1.077 53.094 52.037 -0.033 0.000 0.640 130 A CB 0.073 19.043 19.000 -0.050 0.000 0.825 130 A HN 0.218 nan 8.150 nan 0.000 0.447 131 V N -3.917 115.908 119.914 -0.148 0.000 3.542 131 V HA 0.146 4.266 4.120 -0.000 0.000 0.296 131 V C 1.724 177.796 176.094 -0.036 0.000 1.364 131 V CA 0.515 62.722 62.300 -0.155 0.000 1.118 131 V CB -1.423 30.181 31.823 -0.365 0.000 0.972 131 V HN 0.443 nan 8.190 nan 0.000 0.430 132 Y N 2.689 122.971 120.300 -0.030 0.000 2.139 132 Y HA -0.280 4.270 4.550 -0.000 0.000 0.282 132 Y C 2.163 178.107 175.900 0.074 0.000 1.179 132 Y CA 2.553 60.693 58.100 0.066 0.000 1.161 132 Y CB -0.155 38.333 38.460 0.047 0.000 0.970 132 Y HN 0.368 nan 8.280 nan 0.000 0.511 133 D N -0.510 119.940 120.400 0.084 0.000 2.218 133 D HA -0.140 4.500 4.640 -0.000 0.000 0.204 133 D C 2.019 178.279 176.300 -0.067 0.000 0.976 133 D CA 1.820 55.839 54.000 0.030 0.000 0.853 133 D CB -0.310 40.536 40.800 0.078 0.000 0.939 133 D HN 0.494 nan 8.370 nan 0.000 0.481 134 V N -0.854 119.010 119.914 -0.083 0.000 3.647 134 V HA 0.220 4.340 4.120 -0.000 0.000 0.279 134 V C 0.922 176.936 176.094 -0.134 0.000 1.314 134 V CA -0.302 61.934 62.300 -0.107 0.000 1.125 134 V CB -0.782 30.993 31.823 -0.080 0.000 0.907 134 V HN 0.057 nan 8.190 nan 0.000 0.434 135 I N -1.611 118.865 120.570 -0.155 0.000 3.100 135 I HA 1.070 5.240 4.170 -0.000 0.000 0.312 135 I C 0.156 176.159 176.117 -0.190 0.000 1.063 135 I CA -0.561 60.639 61.300 -0.166 0.000 1.031 135 I CB 1.799 39.703 38.000 -0.159 0.000 1.243 135 I HN 0.231 nan 8.210 nan 0.000 0.483 136 G N 1.362 110.027 108.800 -0.226 0.000 2.352 136 G HA2 0.210 4.170 3.960 -0.000 0.000 0.305 136 G HA3 0.210 4.170 3.960 -0.000 0.000 0.305 136 G C -2.892 171.950 174.900 -0.096 0.000 1.537 136 G CA -0.448 44.539 45.100 -0.188 0.000 0.959 136 G HN 0.417 nan 8.290 nan 0.000 0.668 137 P HA -0.012 nan 4.420 nan 0.000 0.226 137 P C 0.510 177.783 177.300 -0.044 0.000 1.146 137 P CA 1.299 64.409 63.100 0.017 0.000 0.773 137 P CB 0.105 31.776 31.700 -0.050 0.000 0.772 138 W N -1.460 119.981 121.300 0.235 0.000 2.684 138 W HA 0.210 4.870 4.660 -0.000 0.000 0.381 138 W C 1.238 177.816 176.519 0.099 0.000 0.975 138 W CA 0.038 57.526 57.345 0.239 0.000 1.789 138 W CB 0.322 29.897 29.460 0.193 0.000 1.161 138 W HN -0.180 nan 8.180 nan 0.000 0.564 139 T N -1.601 113.040 114.554 0.144 0.000 3.174 139 T HA 0.071 4.421 4.350 -0.000 0.000 0.252 139 T C -0.668 173.982 174.700 -0.083 0.000 0.984 139 T CA 0.464 62.558 62.100 -0.010 0.000 1.113 139 T CB 0.521 69.346 68.868 -0.071 0.000 1.088 139 T HN -0.256 nan 8.240 nan 0.000 0.442 140 D N 0.088 120.423 120.400 -0.108 0.000 2.726 140 D HA 0.301 4.941 4.640 -0.000 0.000 0.203 140 D C -1.891 174.303 176.300 -0.177 0.000 1.297 140 D CA -0.336 53.578 54.000 -0.144 0.000 0.863 140 D CB 0.761 41.491 40.800 -0.116 0.000 1.669 140 D HN 0.180 nan 8.370 nan 0.000 0.561 141 I N 4.951 125.376 120.570 -0.241 0.000 2.464 141 I HA 0.362 4.532 4.170 -0.000 0.000 0.277 141 I C -2.201 173.795 176.117 -0.202 0.000 1.040 141 I CA -1.759 59.394 61.300 -0.244 0.000 1.153 141 I CB 1.657 39.423 38.000 -0.390 0.000 1.274 141 I HN 0.081 nan 8.210 nan 0.000 0.469 142 P HA 0.574 nan 4.420 nan 0.000 0.297 142 P C -0.590 176.662 177.300 -0.080 0.000 1.303 142 P CA -0.356 62.706 63.100 -0.064 0.000 0.753 142 P CB 0.877 32.598 31.700 0.035 0.000 1.281 143 A N -1.689 121.088 122.820 -0.071 0.000 2.540 143 A HA 0.638 4.958 4.320 -0.000 0.000 0.291 143 A C -3.015 174.504 177.584 -0.108 0.000 1.083 143 A CA -1.209 50.774 52.037 -0.090 0.000 0.650 143 A CB 0.216 19.159 19.000 -0.096 0.000 1.292 143 A HN 0.226 nan 8.150 nan 0.000 0.435 144 P HA 0.513 nan 4.420 nan 0.000 0.275 144 P C -0.684 176.534 177.300 -0.136 0.000 1.228 144 P CA 0.516 63.520 63.100 -0.160 0.000 0.786 144 P CB 0.987 32.595 31.700 -0.154 0.000 0.927 145 D N 0.260 120.565 120.400 -0.158 0.000 3.402 145 D HA 0.216 4.856 4.640 -0.000 0.000 0.287 145 D C -0.831 175.381 176.300 -0.147 0.000 1.365 145 D CA -0.497 53.428 54.000 -0.125 0.000 1.012 145 D CB 0.748 41.496 40.800 -0.088 0.000 1.325 145 D HN -0.043 nan 8.370 nan 0.000 0.627 146 V N 2.600 122.425 119.914 -0.149 0.000 2.555 146 V HA -0.097 4.023 4.120 -0.000 0.000 0.299 146 V C -0.208 175.799 176.094 -0.145 0.000 1.012 146 V CA 0.906 63.056 62.300 -0.251 0.000 1.180 146 V CB -1.032 30.654 31.823 -0.229 0.000 0.887 146 V HN 0.637 nan 8.190 nan 0.000 0.476 147 Y N 2.089 122.379 120.300 -0.017 0.000 4.409 147 Y HA -0.217 4.333 4.550 -0.000 0.000 0.228 147 Y C 0.960 176.712 175.900 -0.248 0.000 1.108 147 Y CA 0.952 59.025 58.100 -0.044 0.000 1.955 147 Y CB -2.501 36.010 38.460 0.086 0.000 1.615 147 Y HN 0.941 nan 8.280 nan 0.000 0.665 148 T N -1.390 113.023 114.554 -0.234 0.000 2.916 148 T HA 0.817 5.167 4.350 -0.000 0.000 0.292 148 T C -0.105 174.422 174.700 -0.287 0.000 1.055 148 T CA -0.133 61.692 62.100 -0.459 0.000 1.009 148 T CB 3.313 71.756 68.868 -0.708 0.000 1.118 148 T HN 0.314 nan 8.240 nan 0.000 0.497 149 N N -0.287 118.229 118.700 -0.307 0.000 3.039 149 N HA 0.503 5.243 4.740 -0.000 0.000 0.257 149 N C -2.784 172.573 175.510 -0.256 0.000 1.497 149 N CA -1.849 51.062 53.050 -0.231 0.000 0.861 149 N CB 0.272 38.639 38.487 -0.200 0.000 1.479 149 N HN 0.226 nan 8.380 nan 0.000 0.547 150 P HA -0.225 nan 4.420 nan 0.000 0.216 150 P C 1.024 178.129 177.300 -0.324 0.000 1.150 150 P CA 1.652 64.615 63.100 -0.230 0.000 0.843 150 P CB 0.249 31.837 31.700 -0.186 0.000 0.787 151 K N 0.128 120.283 120.400 -0.409 0.000 2.009 151 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 151 K C 1.964 177.978 176.600 -0.977 0.000 1.049 151 K CA 1.684 57.562 56.287 -0.683 0.000 0.929 151 K CB -0.671 31.432 32.500 -0.661 0.000 0.714 151 K HN 0.071 nan 8.250 nan 0.000 0.440 152 I N 1.075 121.222 120.570 -0.705 0.000 2.361 152 I HA -0.271 3.899 4.170 -0.000 0.000 0.251 152 I C 2.329 178.333 176.117 -0.188 0.000 1.133 152 I CA 0.708 61.760 61.300 -0.413 0.000 1.413 152 I CB -0.169 37.589 38.000 -0.403 0.000 1.073 152 I HN 0.273 nan 8.210 nan 0.000 0.424 153 M N 0.191 119.652 119.600 -0.232 0.000 2.229 153 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 153 M C 2.422 178.674 176.300 -0.079 0.000 1.063 153 M CA 1.577 56.805 55.300 -0.121 0.000 1.114 153 M CB -1.728 30.785 32.600 -0.144 0.000 1.387 153 M HN 0.301 nan 8.290 nan 0.000 0.420 154 G N -0.573 108.116 108.800 -0.186 0.000 2.402 154 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 154 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 154 G C 1.230 176.183 174.900 0.090 0.000 1.162 154 G CA 0.277 45.303 45.100 -0.124 0.000 0.777 154 G HN 0.380 nan 8.290 nan 0.000 0.539 155 W N 0.572 121.893 121.300 0.034 0.000 2.381 155 W HA 0.162 4.822 4.660 -0.000 0.000 0.301 155 W C 2.676 179.262 176.519 0.111 0.000 1.205 155 W CA 0.379 57.766 57.345 0.071 0.000 1.285 155 W CB -1.013 28.493 29.460 0.077 0.000 1.133 155 W HN 0.204 nan 8.180 nan 0.000 0.521 156 M N -0.540 119.273 119.600 0.355 0.000 2.117 156 M HA -0.219 4.261 4.480 -0.000 0.000 0.262 156 M C 2.332 178.799 176.300 0.279 0.000 1.065 156 M CA 1.453 56.934 55.300 0.303 0.000 1.114 156 M CB -0.658 32.096 32.600 0.257 0.000 1.361 156 M HN -0.164 nan 8.290 nan 0.000 0.408 157 M N 0.425 120.159 119.600 0.223 0.000 2.132 157 M HA -0.212 4.268 4.480 -0.000 0.000 0.263 157 M C 1.374 177.856 176.300 0.303 0.000 1.065 157 M CA 2.122 57.568 55.300 0.244 0.000 1.122 157 M CB -0.802 31.893 32.600 0.158 0.000 1.365 157 M HN 0.197 nan 8.290 nan 0.000 0.411 158 D N -0.115 120.442 120.400 0.262 0.000 2.117 158 D HA -0.232 4.408 4.640 -0.000 0.000 0.197 158 D C 1.833 178.260 176.300 0.210 0.000 0.987 158 D CA 1.657 55.800 54.000 0.238 0.000 0.829 158 D CB 0.013 40.949 40.800 0.226 0.000 0.961 158 D HN 0.412 nan 8.370 nan 0.000 0.460 159 E N -1.141 119.192 120.200 0.222 0.000 2.110 159 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 159 E C 1.800 178.517 176.600 0.197 0.000 0.988 159 E CA 0.923 57.431 56.400 0.179 0.000 0.804 159 E CB -0.542 29.271 29.700 0.189 0.000 0.745 159 E HN 0.512 nan 8.360 nan 0.000 0.458 160 Y N 1.264 121.681 120.300 0.196 0.000 2.145 160 Y HA -0.162 4.388 4.550 -0.000 0.000 0.286 160 Y C 2.196 178.230 175.900 0.222 0.000 1.145 160 Y CA 2.292 60.548 58.100 0.259 0.000 1.148 160 Y CB -0.212 38.386 38.460 0.231 0.000 0.981 160 Y HN 0.140 nan 8.280 nan 0.000 0.507 161 E N -1.039 119.298 120.200 0.227 0.000 2.153 161 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 161 E C 1.863 178.474 176.600 0.018 0.000 0.988 161 E CA 1.697 58.175 56.400 0.129 0.000 0.811 161 E CB -0.044 29.773 29.700 0.196 0.000 0.746 161 E HN 0.507 nan 8.360 nan 0.000 0.466 162 T N 1.143 115.711 114.554 0.023 0.000 2.701 162 T HA -0.092 4.258 4.350 -0.000 0.000 0.263 162 T C 1.910 176.549 174.700 -0.101 0.000 1.040 162 T CA 1.258 63.346 62.100 -0.021 0.000 1.147 162 T CB -0.127 68.743 68.868 0.002 0.000 0.865 162 T HN 0.195 nan 8.240 nan 0.000 0.426 163 I N 0.842 121.305 120.570 -0.179 0.000 2.315 163 I HA -0.107 4.063 4.170 -0.000 0.000 0.248 163 I C 2.525 178.435 176.117 -0.345 0.000 1.117 163 I CA 1.100 62.188 61.300 -0.352 0.000 1.404 163 I CB -0.392 37.215 38.000 -0.654 0.000 1.071 163 I HN 0.252 nan 8.210 nan 0.000 0.419 164 M N 0.581 120.011 119.600 -0.282 0.000 2.476 164 M HA -0.073 4.407 4.480 -0.000 0.000 0.262 164 M C 0.286 176.539 176.300 -0.079 0.000 1.079 164 M CA 1.101 56.301 55.300 -0.166 0.000 1.104 164 M CB 0.093 32.532 32.600 -0.269 0.000 1.409 164 M HN 0.194 nan 8.290 nan 0.000 0.467 165 R N 0.793 121.246 120.500 -0.080 0.000 3.776 165 R HA -0.185 4.155 4.340 -0.000 0.000 0.312 165 R C -0.241 176.049 176.300 -0.017 0.000 1.181 165 R CA 0.995 57.070 56.100 -0.042 0.000 0.836 165 R CB -3.063 27.214 30.300 -0.038 0.000 1.324 165 R HN 0.650 nan 8.270 nan 0.000 0.501 166 R N -1.032 119.463 120.500 -0.008 0.000 3.770 166 R HA -0.214 4.126 4.340 -0.000 0.000 0.305 166 R C 0.946 177.252 176.300 0.010 0.000 1.184 166 R CA 1.442 57.544 56.100 0.002 0.000 0.823 166 R CB -0.671 29.624 30.300 -0.008 0.000 1.285 166 R HN 0.199 nan 8.270 nan 0.000 0.499 167 K N -0.237 120.178 120.400 0.025 0.000 2.305 167 K HA 0.096 4.416 4.320 -0.000 0.000 0.199 167 K C 1.318 177.951 176.600 0.055 0.000 1.047 167 K CA 1.417 57.725 56.287 0.035 0.000 0.976 167 K CB 0.422 32.946 32.500 0.041 0.000 0.765 167 K HN 0.421 nan 8.250 nan 0.000 0.474 168 G N 1.326 110.175 108.800 0.082 0.000 3.176 168 G HA2 0.337 4.297 3.960 -0.000 0.000 0.272 168 G HA3 0.337 4.297 3.960 -0.000 0.000 0.272 168 G C -2.691 172.259 174.900 0.083 0.000 1.349 168 G CA -0.896 44.267 45.100 0.106 0.000 0.953 168 G HN -0.173 nan 8.290 nan 0.000 0.559 169 P HA 0.250 nan 4.420 nan 0.000 0.241 169 P C 0.721 178.076 177.300 0.092 0.000 1.760 169 P CA 0.165 63.281 63.100 0.026 0.000 1.081 169 P CB 0.647 32.339 31.700 -0.012 0.000 1.975 170 A N 1.995 124.899 122.820 0.141 0.000 2.019 170 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 170 A C 1.638 179.420 177.584 0.330 0.000 1.164 170 A CA 0.876 53.102 52.037 0.315 0.000 0.644 170 A CB -1.137 18.082 19.000 0.366 0.000 0.805 170 A HN 0.218 nan 8.150 nan 0.000 0.449 171 F N 0.431 120.438 119.950 0.095 0.000 2.202 171 F HA -0.088 4.439 4.527 -0.000 0.000 0.301 171 F C 2.399 178.214 175.800 0.026 0.000 1.082 171 F CA 0.632 58.670 58.000 0.064 0.000 1.313 171 F CB -1.206 37.838 39.000 0.073 0.000 1.024 171 F HN 0.302 nan 8.300 nan 0.000 0.495 172 G N -1.174 107.729 108.800 0.173 0.000 3.124 172 G HA2 0.064 4.024 3.960 -0.000 0.000 0.212 172 G HA3 0.064 4.024 3.960 -0.000 0.000 0.212 172 G C 1.568 176.529 174.900 0.103 0.000 1.181 172 G CA 0.484 45.630 45.100 0.077 0.000 0.803 172 G HN 0.294 nan 8.290 nan 0.000 0.529 173 V N -0.347 119.556 119.914 -0.018 0.000 3.129 173 V HA 0.487 4.607 4.120 -0.000 0.000 0.259 173 V C 0.476 176.485 176.094 -0.141 0.000 1.116 173 V CA 0.744 62.907 62.300 -0.230 0.000 1.127 173 V CB -0.177 31.203 31.823 -0.738 0.000 0.742 173 V HN 0.272 nan 8.190 nan 0.000 0.474 174 I N -0.422 120.125 120.570 -0.038 0.000 2.753 174 I HA 0.384 4.553 4.170 -0.000 0.000 0.291 174 I C -0.244 175.863 176.117 -0.016 0.000 1.425 174 I CA -0.016 61.261 61.300 -0.038 0.000 1.039 174 I CB 2.306 40.295 38.000 -0.018 0.000 1.349 174 I HN 0.183 nan 8.210 nan 0.000 0.430 175 T N 1.726 116.257 114.554 -0.038 0.000 2.919 175 T HA 0.746 5.096 4.350 -0.000 0.000 0.282 175 T C 0.590 175.250 174.700 -0.065 0.000 1.020 175 T CA -0.153 61.927 62.100 -0.033 0.000 0.994 175 T CB 1.573 70.431 68.868 -0.017 0.000 1.180 175 T HN 1.576 nan 8.240 nan 0.000 0.566 176 G N 0.672 109.431 108.800 -0.068 0.000 2.204 176 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.244 176 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.244 176 G C -0.205 174.625 174.900 -0.117 0.000 1.062 176 G CA 0.009 45.055 45.100 -0.090 0.000 0.798 176 G HN 0.831 nan 8.290 nan 0.000 0.496 177 K N 0.038 120.366 120.400 -0.121 0.000 2.106 177 K HA 0.496 4.816 4.320 -0.000 0.000 0.246 177 K C -2.366 174.131 176.600 -0.173 0.000 0.987 177 K CA -2.070 54.120 56.287 -0.163 0.000 0.904 177 K CB 1.125 33.508 32.500 -0.196 0.000 1.071 177 K HN -0.017 nan 8.250 nan 0.000 0.453 178 P HA -0.003 nan 4.420 nan 0.000 0.268 178 P C 0.480 177.663 177.300 -0.196 0.000 1.205 178 P CA 0.177 63.168 63.100 -0.181 0.000 0.771 178 P CB 0.440 32.031 31.700 -0.182 0.000 0.858 179 L N 1.538 122.664 121.223 -0.162 0.000 2.261 179 L HA -0.201 4.138 4.340 -0.000 0.000 0.216 179 L C 2.116 178.853 176.870 -0.222 0.000 1.114 179 L CA 1.858 56.593 54.840 -0.176 0.000 0.777 179 L CB -0.825 41.158 42.059 -0.126 0.000 0.910 179 L HN 0.468 nan 8.230 nan 0.000 0.440 180 S N 0.651 116.236 115.700 -0.192 0.000 2.428 180 S HA -0.062 4.408 4.470 -0.000 0.000 0.230 180 S C 1.272 175.736 174.600 -0.227 0.000 1.014 180 S CA 0.398 58.494 58.200 -0.173 0.000 0.957 180 S CB -0.407 62.726 63.200 -0.112 0.000 0.784 180 S HN 0.579 nan 8.310 nan 0.000 0.499 181 I N -2.723 117.640 120.570 -0.345 0.000 2.997 181 I HA 0.786 4.956 4.170 -0.000 0.000 0.329 181 I C 0.851 176.289 176.117 -1.131 0.000 1.367 181 I CA -0.357 60.553 61.300 -0.650 0.000 0.902 181 I CB 0.165 37.906 38.000 -0.432 0.000 2.104 181 I HN 0.271 nan 8.210 nan 0.000 0.581 182 G N 1.392 109.712 108.800 -0.801 0.000 2.175 182 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 182 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 182 G C 0.610 175.409 174.900 -0.168 0.000 0.982 182 G CA -0.305 44.497 45.100 -0.496 0.000 0.641 182 G HN 0.933 nan 8.290 nan 0.000 0.527 183 G N -0.218 108.445 108.800 -0.228 0.000 2.699 183 G HA2 0.495 4.454 3.960 -0.000 0.000 0.246 183 G HA3 0.495 4.454 3.960 -0.000 0.000 0.246 183 G C 0.244 175.125 174.900 -0.032 0.000 1.219 183 G CA 0.983 46.013 45.100 -0.118 0.000 0.866 183 G HN 1.186 nan 8.290 nan 0.000 0.572 184 S N -0.878 114.811 115.700 -0.019 0.000 2.501 184 S HA 0.501 4.971 4.470 -0.000 0.000 0.301 184 S C 0.239 174.844 174.600 0.009 0.000 1.096 184 S CA -0.814 57.392 58.200 0.010 0.000 1.063 184 S CB 0.636 63.833 63.200 -0.004 0.000 1.042 184 S HN 0.460 nan 8.310 nan 0.000 0.494 185 L N 3.700 124.943 121.223 0.034 0.000 2.525 185 L HA 0.298 4.638 4.340 -0.000 0.000 0.278 185 L C 1.612 178.516 176.870 0.057 0.000 1.218 185 L CA 0.996 55.860 54.840 0.039 0.000 0.878 185 L CB 0.066 42.165 42.059 0.066 0.000 1.127 185 L HN 1.130 nan 8.230 nan 0.000 0.492 186 G N 2.105 110.919 108.800 0.023 0.000 2.179 186 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 186 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 186 G C 1.196 176.089 174.900 -0.011 0.000 0.990 186 G CA 0.285 45.397 45.100 0.021 0.000 0.646 186 G HN 0.704 nan 8.290 nan 0.000 0.517 187 R N 0.817 121.303 120.500 -0.023 0.000 2.092 187 R HA 0.014 4.354 4.340 -0.000 0.000 0.231 187 R C 2.644 178.898 176.300 -0.076 0.000 1.119 187 R CA 2.201 58.278 56.100 -0.039 0.000 0.970 187 R CB -0.778 29.496 30.300 -0.044 0.000 0.864 187 R HN 0.456 nan 8.270 nan 0.000 0.440 188 G N -0.288 108.450 108.800 -0.103 0.000 2.408 188 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 188 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 188 G C 1.292 176.038 174.900 -0.257 0.000 1.150 188 G CA 1.208 46.229 45.100 -0.132 0.000 0.776 188 G HN 0.534 nan 8.290 nan 0.000 0.542 189 T N -1.932 112.407 114.554 -0.359 0.000 3.163 189 T HA 0.604 4.954 4.350 -0.000 0.000 0.252 189 T C 2.158 176.711 174.700 -0.246 0.000 1.056 189 T CA 0.935 62.738 62.100 -0.495 0.000 0.947 189 T CB 0.673 69.171 68.868 -0.616 0.000 1.016 189 T HN 0.249 nan 8.240 nan 0.000 0.554 190 A N 2.284 125.022 122.820 -0.138 0.000 1.865 190 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 190 A C 2.525 180.070 177.584 -0.065 0.000 1.191 190 A CA 2.185 54.184 52.037 -0.064 0.000 0.623 190 A CB -1.533 17.452 19.000 -0.024 0.000 0.826 190 A HN 0.507 nan 8.150 nan 0.000 0.444 191 T N 0.148 114.664 114.554 -0.064 0.000 2.708 191 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 191 T C 2.222 176.880 174.700 -0.069 0.000 1.037 191 T CA 1.737 63.807 62.100 -0.050 0.000 1.146 191 T CB -0.476 68.369 68.868 -0.038 0.000 0.865 191 T HN 0.604 nan 8.240 nan 0.000 0.435 192 A N 1.144 123.913 122.820 -0.083 0.000 1.873 192 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 192 A C 2.275 179.751 177.584 -0.180 0.000 1.186 192 A CA 1.937 53.915 52.037 -0.098 0.000 0.616 192 A CB -0.798 18.176 19.000 -0.044 0.000 0.823 192 A HN 0.424 nan 8.150 nan 0.000 0.442 193 Q N 0.093 119.751 119.800 -0.237 0.000 2.096 193 Q HA -0.061 4.278 4.340 -0.000 0.000 0.204 193 Q C 1.925 177.624 176.000 -0.502 0.000 0.982 193 Q CA 2.299 57.854 55.803 -0.414 0.000 0.850 193 Q CB -1.112 27.425 28.738 -0.336 0.000 0.901 193 Q HN 0.499 nan 8.270 nan 0.000 0.422 194 G N -0.095 108.596 108.800 -0.182 0.000 2.446 194 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 194 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 194 G C 1.495 176.373 174.900 -0.037 0.000 1.168 194 G CA 1.172 46.271 45.100 -0.002 0.000 0.771 194 G HN 0.552 nan 8.290 nan 0.000 0.551 195 A N 0.486 123.250 122.820 -0.094 0.000 1.902 195 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 195 A C 2.328 179.834 177.584 -0.130 0.000 1.181 195 A CA 1.475 53.457 52.037 -0.093 0.000 0.623 195 A CB -0.356 18.591 19.000 -0.087 0.000 0.818 195 A HN 0.287 nan 8.150 nan 0.000 0.443 196 I N -1.040 119.407 120.570 -0.205 0.000 2.361 196 I HA -0.187 3.983 4.170 -0.000 0.000 0.251 196 I C 2.173 178.206 176.117 -0.140 0.000 1.133 196 I CA 1.038 62.208 61.300 -0.217 0.000 1.413 196 I CB -0.610 37.212 38.000 -0.297 0.000 1.073 196 I HN 0.427 nan 8.210 nan 0.000 0.424 197 F N 0.012 119.906 119.950 -0.093 0.000 2.146 197 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 197 F C 2.690 178.360 175.800 -0.215 0.000 1.096 197 F CA 1.292 59.228 58.000 -0.107 0.000 1.275 197 F CB -0.787 38.184 39.000 -0.048 0.000 1.008 197 F HN 0.150 nan 8.300 nan 0.000 0.480 198 T N -1.276 113.252 114.554 -0.043 0.000 2.867 198 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 198 T C 1.746 176.145 174.700 -0.502 0.000 1.057 198 T CA 0.987 62.903 62.100 -0.306 0.000 1.136 198 T CB -0.772 68.016 68.868 -0.132 0.000 0.874 198 T HN 0.247 nan 8.240 nan 0.000 0.466 199 I N 0.792 121.192 120.570 -0.283 0.000 2.252 199 I HA -0.055 4.115 4.170 -0.000 0.000 0.245 199 I C 3.135 179.088 176.117 -0.275 0.000 1.102 199 I CA 1.103 62.248 61.300 -0.259 0.000 1.385 199 I CB -0.316 37.590 38.000 -0.157 0.000 1.064 199 I HN 0.185 nan 8.210 nan 0.000 0.414 200 R N 0.698 121.074 120.500 -0.207 0.000 2.092 200 R HA -0.158 4.182 4.340 -0.000 0.000 0.231 200 R C 2.054 178.218 176.300 -0.226 0.000 1.119 200 R CA 1.264 57.279 56.100 -0.142 0.000 0.970 200 R CB 0.057 30.349 30.300 -0.014 0.000 0.864 200 R HN 0.260 nan 8.270 nan 0.000 0.440 201 E N 0.346 120.278 120.200 -0.447 0.000 2.107 201 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 201 E C 1.844 177.905 176.600 -0.899 0.000 0.982 201 E CA 1.113 57.139 56.400 -0.624 0.000 0.809 201 E CB -0.247 28.866 29.700 -0.979 0.000 0.756 201 E HN 0.401 nan 8.360 nan 0.000 0.459 202 A N 1.503 123.574 122.820 -1.248 0.000 1.940 202 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 202 A C 2.386 179.779 177.584 -0.317 0.000 1.176 202 A CA 2.028 53.609 52.037 -0.759 0.000 0.631 202 A CB -0.500 18.161 19.000 -0.565 0.000 0.814 202 A HN 0.256 nan 8.150 nan 0.000 0.446 203 A N -0.439 122.232 122.820 -0.249 0.000 1.898 203 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 203 A C 2.102 179.658 177.584 -0.047 0.000 1.181 203 A CA 1.887 53.856 52.037 -0.113 0.000 0.620 203 A CB -0.444 18.501 19.000 -0.091 0.000 0.819 203 A HN 0.514 nan 8.150 nan 0.000 0.442 204 K N -0.355 120.030 120.400 -0.024 0.000 2.044 204 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 204 K C 2.171 178.862 176.600 0.152 0.000 1.049 204 K CA 1.414 57.760 56.287 0.099 0.000 0.927 204 K CB -0.329 32.310 32.500 0.233 0.000 0.713 204 K HN 0.414 nan 8.250 nan 0.000 0.443 205 A N 0.552 123.464 122.820 0.154 0.000 1.933 205 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 205 A C 1.825 179.464 177.584 0.091 0.000 1.175 205 A CA 1.267 53.379 52.037 0.124 0.000 0.628 205 A CB -0.371 18.421 19.000 -0.346 0.000 0.814 205 A HN 0.304 nan 8.150 nan 0.000 0.444 206 L N -1.364 119.881 121.223 0.036 0.000 2.592 206 L HA 0.232 4.572 4.340 -0.000 0.000 0.227 206 L C 1.605 178.504 176.870 0.048 0.000 1.127 206 L CA 0.422 55.295 54.840 0.054 0.000 0.884 206 L CB -0.185 41.888 42.059 0.024 0.000 1.065 206 L HN 0.564 nan 8.230 nan 0.000 0.457 207 G N 1.188 110.017 108.800 0.049 0.000 2.155 207 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 207 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 207 G C 0.249 175.162 174.900 0.022 0.000 0.983 207 G CA -0.000 45.123 45.100 0.038 0.000 0.676 207 G HN 0.341 nan 8.290 nan 0.000 0.528 208 I N 0.991 121.567 120.570 0.010 0.000 2.371 208 I HA 0.280 4.449 4.170 -0.000 0.000 0.290 208 I C 0.069 176.184 176.117 -0.003 0.000 1.028 208 I CA -0.631 60.669 61.300 -0.000 0.000 1.345 208 I CB 1.216 39.209 38.000 -0.012 0.000 1.407 208 I HN 0.038 nan 8.210 nan 0.000 0.501 209 D N 6.651 127.051 120.400 -0.001 0.000 2.393 209 D HA 0.173 4.813 4.640 -0.000 0.000 0.232 209 D C 0.847 177.143 176.300 -0.008 0.000 1.192 209 D CA -0.062 53.936 54.000 -0.002 0.000 0.882 209 D CB 0.866 41.667 40.800 0.002 0.000 1.038 209 D HN 0.445 nan 8.370 nan 0.000 0.499 210 L N 2.812 124.026 121.223 -0.015 0.000 2.362 210 L HA -0.051 4.289 4.340 -0.000 0.000 0.219 210 L C 1.638 178.498 176.870 -0.016 0.000 1.134 210 L CA 0.505 55.333 54.840 -0.021 0.000 0.807 210 L CB -0.327 41.713 42.059 -0.032 0.000 0.927 210 L HN 0.367 nan 8.230 nan 0.000 0.447 211 K N 0.995 121.389 120.400 -0.010 0.000 2.395 211 K HA 0.063 4.383 4.320 -0.000 0.000 0.283 211 K C 0.938 177.533 176.600 -0.008 0.000 1.068 211 K CA 0.933 57.215 56.287 -0.008 0.000 1.039 211 K CB 0.128 32.625 32.500 -0.004 0.000 0.924 211 K HN 0.291 nan 8.250 nan 0.000 0.468 212 G N 3.481 112.275 108.800 -0.010 0.000 2.194 212 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.236 212 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.236 212 G C -0.074 174.820 174.900 -0.009 0.000 0.987 212 G CA -0.161 44.933 45.100 -0.009 0.000 0.635 212 G HN 0.549 nan 8.290 nan 0.000 0.520 213 K N 0.678 121.071 120.400 -0.011 0.000 2.102 213 K HA 0.504 4.824 4.320 -0.000 0.000 0.244 213 K C 0.462 177.056 176.600 -0.011 0.000 1.021 213 K CA -0.200 56.081 56.287 -0.009 0.000 0.913 213 K CB 0.729 33.222 32.500 -0.013 0.000 1.062 213 K HN 0.318 nan 8.250 nan 0.000 0.485 214 K N 1.001 121.398 120.400 -0.005 0.000 2.156 214 K HA 0.457 4.777 4.320 -0.000 0.000 0.271 214 K C -0.209 176.389 176.600 -0.004 0.000 0.995 214 K CA -0.517 55.770 56.287 0.000 0.000 0.890 214 K CB 1.343 33.855 32.500 0.020 0.000 1.073 214 K HN 0.481 nan 8.250 nan 0.000 0.454 215 I N 0.872 121.438 120.570 -0.008 0.000 2.608 215 I HA 0.528 4.698 4.170 -0.000 0.000 0.295 215 I C -1.506 174.611 176.117 0.000 0.000 1.049 215 I CA -0.606 60.688 61.300 -0.010 0.000 1.063 215 I CB 1.698 39.683 38.000 -0.024 0.000 1.248 215 I HN 0.744 nan 8.210 nan 0.000 0.424 216 A N 6.921 129.744 122.820 0.005 0.000 2.343 216 A HA 0.751 5.071 4.320 -0.000 0.000 0.316 216 A C -1.479 176.110 177.584 0.009 0.000 1.104 216 A CA -0.492 51.552 52.037 0.013 0.000 0.768 216 A CB 1.588 20.603 19.000 0.024 0.000 1.213 216 A HN 0.452 nan 8.150 nan 0.000 0.456 217 V N 3.147 123.073 119.914 0.019 0.000 2.378 217 V HA 0.317 4.437 4.120 -0.000 0.000 0.288 217 V C 0.148 176.272 176.094 0.049 0.000 1.016 217 V CA -0.483 61.839 62.300 0.037 0.000 0.840 217 V CB 1.390 33.256 31.823 0.071 0.000 0.994 217 V HN 0.959 nan 8.190 nan 0.000 0.431 218 Q N 3.071 122.894 119.800 0.038 0.000 2.288 218 Q HA 0.546 4.886 4.340 -0.000 0.000 0.258 218 Q C 0.332 176.372 176.000 0.067 0.000 0.957 218 Q CA 0.661 56.489 55.803 0.041 0.000 0.919 218 Q CB 1.271 30.023 28.738 0.022 0.000 1.185 218 Q HN 1.165 nan 8.270 nan 0.000 0.408 219 G N 2.982 111.839 108.800 0.096 0.000 2.788 219 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.686 219 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.686 219 G C -1.307 173.743 174.900 0.250 0.000 1.147 219 G CA -0.633 44.543 45.100 0.128 0.000 0.755 219 G HN 0.636 nan 8.290 nan 0.000 0.634 220 Y N 1.983 122.300 120.300 0.029 0.000 2.696 220 Y HA 0.480 5.030 4.550 -0.000 0.000 0.255 220 Y C 1.549 177.475 175.900 0.043 0.000 1.103 220 Y CA 0.227 58.353 58.100 0.043 0.000 1.126 220 Y CB 0.229 38.712 38.460 0.038 0.000 1.197 220 Y HN 1.036 nan 8.280 nan 0.000 0.574 221 G N 0.305 109.123 108.800 0.031 0.000 2.527 221 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.279 221 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.279 221 G C 1.178 176.042 174.900 -0.060 0.000 1.374 221 G CA 0.153 45.242 45.100 -0.019 0.000 1.053 221 G HN 0.410 nan 8.290 nan 0.000 0.539 222 N N -0.503 118.195 118.700 -0.003 0.000 2.166 222 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 222 N C 2.382 177.980 175.510 0.147 0.000 1.019 222 N CA 1.299 54.402 53.050 0.089 0.000 0.856 222 N CB -0.134 38.424 38.487 0.119 0.000 0.993 222 N HN 0.437 nan 8.380 nan 0.000 0.426 223 A N 0.593 123.453 122.820 0.066 0.000 1.854 223 A HA 0.070 4.389 4.320 -0.000 0.000 0.214 223 A C 2.345 179.932 177.584 0.005 0.000 1.192 223 A CA 1.674 53.737 52.037 0.045 0.000 0.611 223 A CB -1.351 17.654 19.000 0.009 0.000 0.832 223 A HN 0.432 nan 8.150 nan 0.000 0.442 224 G N -1.263 107.534 108.800 -0.006 0.000 2.476 224 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.218 224 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.218 224 G C 1.554 176.403 174.900 -0.086 0.000 1.164 224 G CA 1.465 46.571 45.100 0.010 0.000 0.768 224 G HN 0.582 nan 8.290 nan 0.000 0.560 225 Y N 0.560 120.571 120.300 -0.483 0.000 2.053 225 Y HA -0.220 4.330 4.550 -0.000 0.000 0.277 225 Y C 2.553 178.208 175.900 -0.409 0.000 1.159 225 Y CA 1.666 59.282 58.100 -0.806 0.000 1.125 225 Y CB -0.650 37.213 38.460 -0.995 0.000 0.969 225 Y HN 0.242 nan 8.280 nan 0.000 0.492 226 Y N 0.230 120.223 120.300 -0.511 0.000 2.373 226 Y HA -0.133 4.417 4.550 -0.000 0.000 0.293 226 Y C 2.642 178.348 175.900 -0.324 0.000 1.129 226 Y CA 1.675 59.478 58.100 -0.494 0.000 1.226 226 Y CB -0.857 37.453 38.460 -0.250 0.000 1.000 226 Y HN 0.152 nan 8.280 nan 0.000 0.549 227 T N -0.339 114.164 114.554 -0.085 0.000 2.708 227 T HA -0.218 4.132 4.350 -0.000 0.000 0.266 227 T C 2.263 176.904 174.700 -0.098 0.000 1.037 227 T CA 1.414 63.465 62.100 -0.083 0.000 1.146 227 T CB -0.611 68.225 68.868 -0.053 0.000 0.865 227 T HN 0.404 nan 8.240 nan 0.000 0.435 228 A N 1.668 124.430 122.820 -0.097 0.000 1.877 228 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 228 A C 2.240 179.747 177.584 -0.128 0.000 1.186 228 A CA 1.950 53.947 52.037 -0.068 0.000 0.620 228 A CB -0.568 18.461 19.000 0.049 0.000 0.822 228 A HN 0.474 nan 8.150 nan 0.000 0.443 229 K N -0.930 119.311 120.400 -0.266 0.000 2.026 229 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 229 K C 1.753 178.270 176.600 -0.139 0.000 1.048 229 K CA 1.497 57.626 56.287 -0.263 0.000 0.929 229 K CB -0.247 31.931 32.500 -0.536 0.000 0.713 229 K HN 0.292 nan 8.250 nan 0.000 0.439 230 L N 0.890 122.040 121.223 -0.121 0.000 2.109 230 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 230 L C 2.431 179.247 176.870 -0.089 0.000 1.086 230 L CA 1.729 56.513 54.840 -0.093 0.000 0.760 230 L CB -1.010 40.980 42.059 -0.116 0.000 0.910 230 L HN 0.242 nan 8.230 nan 0.000 0.437 231 A N -0.572 122.194 122.820 -0.090 0.000 1.933 231 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 231 A C 2.439 179.990 177.584 -0.055 0.000 1.175 231 A CA 1.983 53.977 52.037 -0.072 0.000 0.628 231 A CB -0.420 18.540 19.000 -0.066 0.000 0.814 231 A HN 0.410 nan 8.150 nan 0.000 0.444 232 K N -0.171 120.196 120.400 -0.055 0.000 2.007 232 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 232 K C 1.865 178.446 176.600 -0.032 0.000 1.047 232 K CA 1.606 57.868 56.287 -0.041 0.000 0.937 232 K CB -0.221 32.254 32.500 -0.042 0.000 0.718 232 K HN 0.564 nan 8.250 nan 0.000 0.438 233 E N -0.119 120.059 120.200 -0.035 0.000 2.158 233 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 233 E C 2.214 178.804 176.600 -0.016 0.000 0.982 233 E CA 0.926 57.314 56.400 -0.020 0.000 0.823 233 E CB 0.177 29.867 29.700 -0.017 0.000 0.766 233 E HN 0.398 nan 8.360 nan 0.000 0.468 234 Q N 0.076 119.859 119.800 -0.028 0.000 2.274 234 Q HA 0.109 4.449 4.340 -0.000 0.000 0.198 234 Q C 2.103 178.097 176.000 -0.011 0.000 0.955 234 Q CA 0.306 56.099 55.803 -0.018 0.000 0.859 234 Q CB 0.421 29.136 28.738 -0.038 0.000 0.956 234 Q HN 0.180 nan 8.270 nan 0.000 0.516 235 L N -0.941 120.266 121.223 -0.026 0.000 2.418 235 L HA 0.170 4.510 4.340 -0.000 0.000 0.218 235 L C 1.050 177.909 176.870 -0.018 0.000 1.125 235 L CA 0.679 55.506 54.840 -0.022 0.000 0.835 235 L CB -0.003 42.033 42.059 -0.038 0.000 0.953 235 L HN 0.541 nan 8.230 nan 0.000 0.454 236 G N 0.154 108.942 108.800 -0.019 0.000 2.136 236 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.242 236 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.242 236 G C 0.290 175.179 174.900 -0.018 0.000 0.989 236 G CA 0.077 45.168 45.100 -0.015 0.000 0.682 236 G HN 0.205 nan 8.290 nan 0.000 0.522 237 M N 0.022 119.607 119.600 -0.025 0.000 2.114 237 M HA 0.458 4.938 4.480 -0.000 0.000 0.293 237 M C 0.468 176.752 176.300 -0.026 0.000 1.201 237 M CA 0.342 55.626 55.300 -0.026 0.000 1.107 237 M CB 0.612 33.193 32.600 -0.031 0.000 1.405 237 M HN 0.039 nan 8.290 nan 0.000 0.486 238 T N 1.343 115.882 114.554 -0.026 0.000 2.788 238 T HA 0.385 4.735 4.350 -0.000 0.000 0.296 238 T C -0.492 174.187 174.700 -0.035 0.000 1.009 238 T CA -0.550 61.531 62.100 -0.031 0.000 0.949 238 T CB 0.643 69.494 68.868 -0.029 0.000 0.946 238 T HN 0.339 nan 8.240 nan 0.000 0.453 239 V N 5.580 125.467 119.914 -0.045 0.000 2.397 239 V HA 0.063 4.183 4.120 -0.000 0.000 0.262 239 V C 1.533 177.585 176.094 -0.070 0.000 1.047 239 V CA 0.045 62.316 62.300 -0.049 0.000 1.003 239 V CB 0.381 32.172 31.823 -0.054 0.000 1.037 239 V HN 0.870 nan 8.190 nan 0.000 0.480 240 V N 2.021 121.909 119.914 -0.043 0.000 3.590 240 V HA 0.704 4.824 4.120 -0.000 0.000 0.265 240 V C 0.694 176.769 176.094 -0.032 0.000 1.239 240 V CA 0.716 62.972 62.300 -0.073 0.000 1.117 240 V CB -0.027 31.809 31.823 0.021 0.000 0.818 240 V HN 0.854 nan 8.190 nan 0.000 0.451 241 A N 0.332 123.155 122.820 0.004 0.000 2.566 241 A HA 0.822 5.142 4.320 -0.000 0.000 0.297 241 A C -0.867 176.690 177.584 -0.046 0.000 1.059 241 A CA 0.086 52.133 52.037 0.016 0.000 0.691 241 A CB 1.948 21.027 19.000 0.132 0.000 1.282 241 A HN 1.435 nan 8.150 nan 0.000 0.401 242 V N -0.772 119.074 119.914 -0.114 0.000 3.181 242 V HA 1.030 5.150 4.120 -0.000 0.000 0.308 242 V C -0.300 175.707 176.094 -0.145 0.000 1.214 242 V CA -0.043 62.166 62.300 -0.152 0.000 1.053 242 V CB 1.509 33.093 31.823 -0.398 0.000 1.069 242 V HN 2.193 nan 8.190 nan 0.000 0.441 243 S N 0.243 115.889 115.700 -0.089 0.000 2.625 243 S HA 0.872 5.342 4.470 -0.000 0.000 0.271 243 S C -1.398 173.220 174.600 0.028 0.000 1.161 243 S CA -0.165 58.010 58.200 -0.041 0.000 0.820 243 S CB 2.124 65.324 63.200 0.000 0.000 1.137 243 S HN 1.500 nan 8.310 nan 0.000 0.470 244 D N -0.441 119.989 120.400 0.049 0.000 2.801 244 D HA 0.495 5.135 4.640 -0.000 0.000 0.277 244 D C 1.346 177.687 176.300 0.068 0.000 1.125 244 D CA -0.007 54.049 54.000 0.093 0.000 1.102 244 D CB 0.175 41.046 40.800 0.118 0.000 1.400 244 D HN 0.589 nan 8.370 nan 0.000 0.601 245 S N -0.819 114.923 115.700 0.070 0.000 2.400 245 S HA -0.213 4.257 4.470 -0.000 0.000 0.232 245 S C 1.793 176.424 174.600 0.052 0.000 1.025 245 S CA 0.881 59.115 58.200 0.057 0.000 0.993 245 S CB -0.355 62.881 63.200 0.060 0.000 0.808 245 S HN 0.339 nan 8.310 nan 0.000 0.478 246 R N 1.851 122.385 120.500 0.057 0.000 2.092 246 R HA 0.369 4.709 4.340 -0.000 0.000 0.231 246 R C 1.308 177.635 176.300 0.046 0.000 1.119 246 R CA 1.059 57.192 56.100 0.054 0.000 0.970 246 R CB -0.657 29.682 30.300 0.065 0.000 0.864 246 R HN 0.681 nan 8.270 nan 0.000 0.440 247 G N -3.287 105.539 108.800 0.043 0.000 2.341 247 G HA2 0.384 4.344 3.960 -0.000 0.000 0.293 247 G HA3 0.384 4.344 3.960 -0.000 0.000 0.293 247 G C -1.008 173.906 174.900 0.024 0.000 1.298 247 G CA -0.677 44.443 45.100 0.033 0.000 0.868 247 G HN 0.352 nan 8.290 nan 0.000 0.540 248 G N -1.246 107.564 108.800 0.016 0.000 2.685 248 G HA2 0.928 4.888 3.960 -0.000 0.000 0.298 248 G HA3 0.928 4.888 3.960 -0.000 0.000 0.298 248 G C -0.579 174.324 174.900 0.006 0.000 1.277 248 G CA -0.259 44.841 45.100 -0.000 0.000 0.986 248 G HN 1.587 nan 8.290 nan 0.000 0.487 249 I N -2.580 117.981 120.570 -0.015 0.000 2.769 249 I HA 0.747 4.917 4.170 -0.000 0.000 0.298 249 I C -1.770 174.371 176.117 0.041 0.000 1.128 249 I CA -1.341 59.959 61.300 -0.000 0.000 1.031 249 I CB 2.681 40.643 38.000 -0.064 0.000 1.235 249 I HN 0.467 nan 8.210 nan 0.000 0.423 250 Y N 4.427 124.692 120.300 -0.059 0.000 2.421 250 Y HA 0.611 5.161 4.550 -0.000 0.000 0.339 250 Y C -1.616 174.260 175.900 -0.040 0.000 0.996 250 Y CA -0.850 57.218 58.100 -0.052 0.000 1.046 250 Y CB 1.734 40.171 38.460 -0.038 0.000 1.226 250 Y HN 0.777 nan 8.280 nan 0.000 0.445 251 N N 8.059 126.295 118.700 -0.775 0.000 2.519 251 N HA 0.326 5.066 4.740 -0.000 0.000 0.291 251 N C -2.584 172.501 175.510 -0.708 0.000 1.107 251 N CA -2.059 50.587 53.050 -0.674 0.000 0.904 251 N CB 2.935 41.255 38.487 -0.279 0.000 1.500 251 N HN 0.383 nan 8.380 nan 0.000 0.510 252 P HA -0.061 nan 4.420 nan 0.000 0.218 252 P C 0.139 177.338 177.300 -0.168 0.000 1.148 252 P CA 1.208 64.115 63.100 -0.321 0.000 0.822 252 P CB 0.528 32.156 31.700 -0.119 0.000 0.784 253 D N -0.638 119.670 120.400 -0.154 0.000 2.349 253 D HA 0.219 4.859 4.640 -0.000 0.000 0.224 253 D C 1.119 177.368 176.300 -0.085 0.000 1.029 253 D CA 0.790 54.736 54.000 -0.091 0.000 0.879 253 D CB 0.061 40.819 40.800 -0.070 0.000 0.906 253 D HN 0.203 nan 8.370 nan 0.000 0.528 254 G N 0.510 109.237 108.800 -0.122 0.000 3.055 254 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.685 254 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.685 254 G C -0.904 173.937 174.900 -0.099 0.000 1.212 254 G CA -0.962 44.078 45.100 -0.099 0.000 0.822 254 G HN 0.105 nan 8.290 nan 0.000 0.610 255 L N 2.271 123.419 121.223 -0.126 0.000 2.334 255 L HA 0.503 4.843 4.340 -0.000 0.000 0.277 255 L C 0.376 177.179 176.870 -0.111 0.000 1.075 255 L CA -0.947 53.798 54.840 -0.159 0.000 0.804 255 L CB 1.532 43.421 42.059 -0.284 0.000 1.174 255 L HN 0.667 nan 8.230 nan 0.000 0.438 256 D N 3.656 124.008 120.400 -0.078 0.000 2.280 256 D HA 0.185 4.825 4.640 -0.000 0.000 0.243 256 D C -2.000 174.284 176.300 -0.027 0.000 1.129 256 D CA -1.735 52.251 54.000 -0.023 0.000 0.848 256 D CB 2.305 43.130 40.800 0.042 0.000 1.107 256 D HN 0.205 nan 8.370 nan 0.000 0.471 257 P HA -0.078 nan 4.420 nan 0.000 0.218 257 P C 0.685 178.170 177.300 0.307 0.000 1.149 257 P CA 0.709 63.902 63.100 0.154 0.000 0.817 257 P CB 0.447 32.177 31.700 0.051 0.000 0.785 258 D N -0.191 120.341 120.400 0.220 0.000 2.097 258 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 258 D C 1.866 178.274 176.300 0.181 0.000 0.989 258 D CA 1.123 55.257 54.000 0.222 0.000 0.827 258 D CB -0.485 40.406 40.800 0.151 0.000 0.966 258 D HN 0.315 nan 8.370 nan 0.000 0.456 259 E N 0.368 120.674 120.200 0.176 0.000 2.085 259 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 259 E C 2.314 179.120 176.600 0.343 0.000 0.994 259 E CA 0.693 57.260 56.400 0.277 0.000 0.801 259 E CB 0.085 29.996 29.700 0.351 0.000 0.743 259 E HN 0.079 nan 8.360 nan 0.000 0.453 260 V N 1.301 121.232 119.914 0.029 0.000 2.427 260 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 260 V C 2.273 178.509 176.094 0.237 0.000 1.051 260 V CA 1.244 63.472 62.300 -0.120 0.000 1.048 260 V CB -0.366 31.175 31.823 -0.469 0.000 0.666 260 V HN 0.216 nan 8.190 nan 0.000 0.456 261 L N 0.054 121.446 121.223 0.281 0.000 2.046 261 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 261 L C 2.425 179.346 176.870 0.085 0.000 1.077 261 L CA 1.921 56.846 54.840 0.142 0.000 0.747 261 L CB -0.713 41.197 42.059 -0.248 0.000 0.896 261 L HN 0.187 nan 8.230 nan 0.000 0.432 262 K N -1.094 119.383 120.400 0.128 0.000 2.009 262 K HA -0.275 4.045 4.320 -0.000 0.000 0.210 262 K C 2.019 178.710 176.600 0.152 0.000 1.049 262 K CA 2.085 58.441 56.287 0.115 0.000 0.929 262 K CB -0.737 31.855 32.500 0.154 0.000 0.714 262 K HN 0.556 nan 8.250 nan 0.000 0.440 263 W N 2.597 124.006 121.300 0.180 0.000 2.304 263 W HA -0.298 4.362 4.660 -0.000 0.000 0.315 263 W C 1.961 178.587 176.519 0.180 0.000 1.233 263 W CA 1.824 59.328 57.345 0.265 0.000 1.261 263 W CB -0.188 29.566 29.460 0.491 0.000 1.150 263 W HN 0.098 nan 8.180 nan 0.000 0.494 264 K N 0.457 120.987 120.400 0.217 0.000 2.097 264 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 264 K C 2.272 178.843 176.600 -0.047 0.000 1.049 264 K CA 1.491 57.841 56.287 0.105 0.000 0.933 264 K CB -0.227 32.386 32.500 0.188 0.000 0.717 264 K HN 0.072 nan 8.250 nan 0.000 0.442 265 R N 0.319 120.778 120.500 -0.068 0.000 2.115 265 R HA -0.072 4.268 4.340 -0.000 0.000 0.226 265 R C 1.979 178.139 176.300 -0.233 0.000 1.100 265 R CA 1.532 57.558 56.100 -0.124 0.000 0.980 265 R CB 0.035 30.273 30.300 -0.103 0.000 0.875 265 R HN 0.324 nan 8.270 nan 0.000 0.445 266 E N -0.988 118.980 120.200 -0.386 0.000 2.170 266 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 266 E C 0.950 176.967 176.600 -0.972 0.000 0.981 266 E CA 0.725 56.702 56.400 -0.705 0.000 0.830 266 E CB 0.307 29.468 29.700 -0.897 0.000 0.775 266 E HN 0.450 nan 8.360 nan 0.000 0.470 267 H N -2.352 116.459 119.070 -0.431 0.000 3.233 267 H HA 0.286 4.842 4.556 -0.000 0.000 0.263 267 H C 1.226 176.424 175.328 -0.217 0.000 1.168 267 H CA 0.754 56.549 56.048 -0.422 0.000 1.159 267 H CB 1.817 31.099 29.762 -0.801 0.000 1.593 267 H HN 0.299 nan 8.280 nan 0.000 0.580 268 G N 1.280 110.031 108.800 -0.082 0.000 2.349 268 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.213 268 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.213 268 G C 0.367 175.293 174.900 0.044 0.000 1.044 268 G CA 0.287 45.380 45.100 -0.012 0.000 0.633 268 G HN 0.597 nan 8.290 nan 0.000 0.506 269 S N -1.104 114.651 115.700 0.092 0.000 2.671 269 S HA 0.659 5.129 4.470 -0.000 0.000 0.277 269 S C 1.042 175.815 174.600 0.290 0.000 1.165 269 S CA 0.340 58.633 58.200 0.154 0.000 0.822 269 S CB 1.616 64.895 63.200 0.132 0.000 1.150 269 S HN 1.595 nan 8.310 nan 0.000 0.479 270 V N -1.680 118.379 119.914 0.241 0.000 2.970 270 V HA 0.139 4.259 4.120 -0.000 0.000 0.260 270 V C 0.977 177.249 176.094 0.295 0.000 1.100 270 V CA 1.058 63.515 62.300 0.262 0.000 1.122 270 V CB -1.200 30.597 31.823 -0.043 0.000 0.721 270 V HN 0.876 nan 8.190 nan 0.000 0.483 271 K N 1.080 121.634 120.400 0.257 0.000 2.527 271 K HA -0.100 4.220 4.320 -0.000 0.000 0.278 271 K C 0.475 177.251 176.600 0.294 0.000 0.981 271 K CA 1.023 57.435 56.287 0.208 0.000 1.009 271 K CB -0.139 32.459 32.500 0.162 0.000 0.895 271 K HN 0.571 nan 8.250 nan 0.000 0.493 272 D N 1.558 122.032 120.400 0.124 0.000 2.983 272 D HA -0.274 4.366 4.640 -0.000 0.000 0.225 272 D C -0.218 175.893 176.300 -0.314 0.000 1.174 272 D CA 0.881 54.895 54.000 0.023 0.000 0.831 272 D CB -1.486 39.398 40.800 0.140 0.000 1.104 272 D HN 0.445 nan 8.370 nan 0.000 0.421 273 F N 1.370 120.933 119.950 -0.644 0.000 2.612 273 F HA 0.160 4.687 4.527 -0.000 0.000 0.389 273 F C -1.660 173.645 175.800 -0.825 0.000 1.055 273 F CA -1.209 56.027 58.000 -1.274 0.000 1.232 273 F CB 0.504 39.048 39.000 -0.759 0.000 1.044 273 F HN -0.240 nan 8.300 nan 0.000 0.560 274 P HA 0.110 nan 4.420 nan 0.000 0.256 274 P C 0.445 177.408 177.300 -0.561 0.000 1.173 274 P CA 1.697 64.246 63.100 -0.919 0.000 0.768 274 P CB 0.135 31.292 31.700 -0.905 0.000 0.758 275 G N 2.162 110.782 108.800 -0.300 0.000 2.175 275 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.244 275 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.244 275 G C 0.354 175.200 174.900 -0.091 0.000 0.982 275 G CA -0.034 44.969 45.100 -0.161 0.000 0.641 275 G HN 0.851 nan 8.290 nan 0.000 0.527 276 A N -0.056 122.725 122.820 -0.066 0.000 2.295 276 A HA 0.822 5.142 4.320 -0.000 0.000 0.318 276 A C 0.451 178.027 177.584 -0.013 0.000 1.134 276 A CA 0.615 52.639 52.037 -0.021 0.000 0.827 276 A CB 0.846 19.874 19.000 0.046 0.000 1.136 276 A HN 0.692 nan 8.150 nan 0.000 0.493 277 T N 2.535 117.109 114.554 0.034 0.000 2.856 277 T HA 0.246 4.596 4.350 -0.000 0.000 0.292 277 T C 0.013 174.758 174.700 0.074 0.000 0.980 277 T CA -0.451 61.694 62.100 0.075 0.000 1.091 277 T CB 0.250 69.221 68.868 0.172 0.000 0.936 277 T HN 0.590 nan 8.240 nan 0.000 0.503 278 N N 3.490 122.218 118.700 0.046 0.000 2.458 278 N HA 0.379 5.119 4.740 -0.000 0.000 0.270 278 N C -0.075 175.458 175.510 0.038 0.000 1.102 278 N CA -0.256 52.819 53.050 0.041 0.000 0.967 278 N CB 0.893 39.400 38.487 0.034 0.000 1.078 278 N HN 0.665 nan 8.380 nan 0.000 0.471 279 I N -2.069 118.522 120.570 0.035 0.000 3.002 279 I HA 0.570 4.740 4.170 -0.000 0.000 0.310 279 I C 0.548 176.670 176.117 0.008 0.000 1.087 279 I CA -0.956 60.351 61.300 0.012 0.000 1.017 279 I CB 1.975 39.974 38.000 -0.002 0.000 1.226 279 I HN 0.268 nan 8.210 nan 0.000 0.443 280 T N -0.605 113.948 114.554 -0.002 0.000 2.828 280 T HA 0.204 4.554 4.350 -0.000 0.000 0.290 280 T C 0.844 175.545 174.700 0.001 0.000 1.019 280 T CA -0.490 61.611 62.100 0.002 0.000 1.031 280 T CB 0.827 69.695 68.868 -0.001 0.000 1.001 280 T HN 0.673 nan 8.240 nan 0.000 0.531 281 N N 0.514 119.218 118.700 0.007 0.000 2.149 281 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 281 N C 1.777 177.286 175.510 -0.001 0.000 1.019 281 N CA 1.521 54.575 53.050 0.007 0.000 0.857 281 N CB -0.315 38.180 38.487 0.014 0.000 0.997 281 N HN 0.813 nan 8.380 nan 0.000 0.426 282 E N 1.498 121.696 120.200 -0.003 0.000 2.077 282 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 282 E C 1.497 178.085 176.600 -0.020 0.000 0.989 282 E CA 1.283 57.678 56.400 -0.008 0.000 0.800 282 E CB -0.140 29.556 29.700 -0.007 0.000 0.746 282 E HN 0.327 nan 8.360 nan 0.000 0.452 283 E N -0.407 119.777 120.200 -0.026 0.000 2.268 283 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 283 E C 1.969 178.534 176.600 -0.058 0.000 0.995 283 E CA 0.666 57.037 56.400 -0.049 0.000 0.836 283 E CB -0.099 29.567 29.700 -0.057 0.000 0.763 283 E HN 0.319 nan 8.360 nan 0.000 0.491 284 L N 0.221 121.423 121.223 -0.033 0.000 2.109 284 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 284 L C 1.850 178.707 176.870 -0.022 0.000 1.086 284 L CA 0.789 55.615 54.840 -0.024 0.000 0.760 284 L CB 0.076 42.133 42.059 -0.003 0.000 0.910 284 L HN 0.170 nan 8.230 nan 0.000 0.437 285 L N -0.564 120.648 121.223 -0.018 0.000 2.141 285 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 285 L C 1.829 178.686 176.870 -0.022 0.000 1.094 285 L CA 1.113 55.944 54.840 -0.015 0.000 0.763 285 L CB -0.400 41.653 42.059 -0.010 0.000 0.908 285 L HN 0.295 nan 8.230 nan 0.000 0.437 286 E N -0.061 120.119 120.200 -0.033 0.000 2.476 286 E HA 0.122 4.471 4.350 -0.000 0.000 0.191 286 E C 0.237 176.805 176.600 -0.054 0.000 1.064 286 E CA -0.257 56.119 56.400 -0.039 0.000 0.866 286 E CB 0.253 29.927 29.700 -0.043 0.000 0.952 286 E HN 0.396 nan 8.360 nan 0.000 0.492 287 L N 1.455 122.644 121.223 -0.057 0.000 2.417 287 L HA 0.107 4.447 4.340 -0.000 0.000 0.268 287 L C 0.638 177.486 176.870 -0.037 0.000 1.158 287 L CA -0.075 54.723 54.840 -0.070 0.000 0.819 287 L CB 0.632 42.656 42.059 -0.059 0.000 1.112 287 L HN 0.047 nan 8.230 nan 0.000 0.458 288 E N 2.831 123.011 120.200 -0.034 0.000 2.003 288 E HA 0.327 4.677 4.350 -0.000 0.000 0.279 288 E C -1.144 175.460 176.600 0.007 0.000 1.132 288 E CA -0.420 55.973 56.400 -0.012 0.000 0.888 288 E CB 0.469 30.163 29.700 -0.010 0.000 1.056 288 E HN 0.381 nan 8.360 nan 0.000 0.399 289 V N 1.019 120.935 119.914 0.004 0.000 3.078 289 V HA 0.343 4.463 4.120 -0.000 0.000 0.311 289 V C 0.230 176.323 176.094 -0.001 0.000 1.138 289 V CA -0.870 61.435 62.300 0.008 0.000 1.007 289 V CB 1.959 33.788 31.823 0.010 0.000 1.045 289 V HN 0.397 nan 8.190 nan 0.000 0.432 290 D N 0.957 121.354 120.400 -0.004 0.000 2.097 290 D HA 0.066 4.706 4.640 -0.000 0.000 0.197 290 D C 0.531 176.818 176.300 -0.022 0.000 0.984 290 D CA 1.720 55.712 54.000 -0.013 0.000 0.826 290 D CB 0.165 40.955 40.800 -0.016 0.000 0.973 290 D HN 0.477 nan 8.370 nan 0.000 0.460 291 V N 1.253 121.152 119.914 -0.024 0.000 2.444 291 V HA 0.331 4.451 4.120 -0.000 0.000 0.294 291 V C -0.792 175.288 176.094 -0.022 0.000 1.022 291 V CA -0.983 61.298 62.300 -0.032 0.000 0.850 291 V CB 2.121 33.916 31.823 -0.046 0.000 0.992 291 V HN -0.053 nan 8.190 nan 0.000 0.426 292 L N 4.876 126.086 121.223 -0.021 0.000 2.287 292 L HA 0.861 5.201 4.340 -0.000 0.000 0.287 292 L C 0.292 177.150 176.870 -0.020 0.000 1.022 292 L CA -0.159 54.672 54.840 -0.015 0.000 0.814 292 L CB 1.269 43.321 42.059 -0.012 0.000 1.217 292 L HN 0.750 nan 8.230 nan 0.000 0.420 293 A N 7.470 130.280 122.820 -0.016 0.000 2.644 293 A HA 0.641 4.961 4.320 -0.000 0.000 0.343 293 A C -2.583 174.997 177.584 -0.008 0.000 1.324 293 A CA -1.324 50.702 52.037 -0.019 0.000 0.846 293 A CB -0.164 18.821 19.000 -0.025 0.000 1.128 293 A HN 0.547 nan 8.150 nan 0.000 0.484 294 P HA 0.223 nan 4.420 nan 0.000 0.269 294 P C 0.077 177.372 177.300 -0.008 0.000 1.263 294 P CA 0.433 63.529 63.100 -0.005 0.000 0.813 294 P CB 1.077 32.771 31.700 -0.011 0.000 0.868 295 A N 3.036 125.859 122.820 0.006 0.000 3.041 295 A HA 0.631 4.951 4.320 -0.000 0.000 0.307 295 A C 0.619 178.210 177.584 0.011 0.000 1.116 295 A CA 0.021 52.060 52.037 0.004 0.000 1.001 295 A CB -0.081 18.926 19.000 0.012 0.000 1.112 295 A HN 0.535 nan 8.150 nan 0.000 0.556 296 A N 0.030 122.853 122.820 0.004 0.000 3.077 296 A HA 0.718 5.038 4.320 -0.000 0.000 0.179 296 A C -0.357 177.223 177.584 -0.007 0.000 0.929 296 A CA -0.248 51.794 52.037 0.009 0.000 1.294 296 A CB 0.072 19.087 19.000 0.025 0.000 1.984 296 A HN 0.203 nan 8.150 nan 0.000 0.732 297 I N 2.237 122.806 120.570 -0.001 0.000 2.836 297 I HA 0.132 4.302 4.170 -0.000 0.000 0.285 297 I C 0.747 176.853 176.117 -0.019 0.000 1.174 297 I CA 0.228 61.523 61.300 -0.008 0.000 1.405 297 I CB 0.318 38.320 38.000 0.004 0.000 1.385 297 I HN 0.773 nan 8.210 nan 0.000 0.594 298 E N 5.668 125.851 120.200 -0.028 0.000 2.349 298 E HA 0.066 4.415 4.350 -0.000 0.000 0.262 298 E C -0.394 176.195 176.600 -0.018 0.000 1.088 298 E CA -0.351 56.028 56.400 -0.036 0.000 0.899 298 E CB 0.560 30.227 29.700 -0.054 0.000 1.044 298 E HN 0.544 nan 8.360 nan 0.000 0.420 299 E N -0.117 120.071 120.200 -0.019 0.000 2.320 299 E HA -0.190 4.160 4.350 -0.000 0.000 0.234 299 E C 0.812 177.412 176.600 -0.001 0.000 1.183 299 E CA 0.605 57.001 56.400 -0.006 0.000 0.713 299 E CB -1.788 27.915 29.700 0.003 0.000 1.226 299 E HN 0.513 nan 8.360 nan 0.000 0.382 300 V N -3.178 116.733 119.914 -0.004 0.000 3.125 300 V HA 0.189 4.309 4.120 -0.000 0.000 0.249 300 V C 1.044 177.139 176.094 0.001 0.000 1.113 300 V CA 0.510 62.810 62.300 -0.000 0.000 1.106 300 V CB 0.178 32.001 31.823 -0.001 0.000 0.768 300 V HN 0.266 nan 8.190 nan 0.000 0.468 301 I N 3.025 123.594 120.570 -0.000 0.000 2.321 301 I HA 0.567 4.737 4.170 -0.000 0.000 0.291 301 I C 0.351 176.472 176.117 0.007 0.000 0.998 301 I CA 0.243 61.545 61.300 0.003 0.000 1.227 301 I CB 1.431 39.434 38.000 0.004 0.000 1.368 301 I HN 0.455 nan 8.210 nan 0.000 0.466 302 T N 0.136 114.696 114.554 0.008 0.000 2.669 302 T HA 0.289 4.639 4.350 -0.000 0.000 0.283 302 T C 0.711 175.418 174.700 0.013 0.000 1.019 302 T CA -0.621 61.485 62.100 0.011 0.000 1.039 302 T CB 1.728 70.602 68.868 0.010 0.000 1.374 302 T HN 0.571 nan 8.240 nan 0.000 0.523 303 E N 0.371 120.579 120.200 0.013 0.000 2.118 303 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 303 E C 1.830 178.436 176.600 0.011 0.000 0.992 303 E CA 1.427 57.836 56.400 0.014 0.000 0.804 303 E CB -0.109 29.599 29.700 0.014 0.000 0.741 303 E HN 0.591 nan 8.360 nan 0.000 0.458 304 K N 0.245 120.651 120.400 0.009 0.000 2.032 304 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 304 K C 1.581 178.184 176.600 0.005 0.000 1.048 304 K CA 1.610 57.901 56.287 0.007 0.000 0.927 304 K CB -0.233 32.271 32.500 0.007 0.000 0.712 304 K HN 0.245 nan 8.250 nan 0.000 0.441 305 N N -0.101 118.602 118.700 0.005 0.000 2.184 305 N HA 0.121 4.861 4.740 -0.000 0.000 0.206 305 N C 1.282 176.794 175.510 0.002 0.000 1.151 305 N CA 0.509 53.560 53.050 0.002 0.000 0.878 305 N CB 0.214 38.701 38.487 -0.001 0.000 1.014 305 N HN 0.057 nan 8.380 nan 0.000 0.512 306 A N 1.098 123.922 122.820 0.007 0.000 1.978 306 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 306 A C 1.684 179.273 177.584 0.007 0.000 1.170 306 A CA 1.530 53.573 52.037 0.010 0.000 0.636 306 A CB -0.437 18.574 19.000 0.017 0.000 0.810 306 A HN 0.226 nan 8.150 nan 0.000 0.448 307 D N -0.513 119.890 120.400 0.005 0.000 2.269 307 D HA -0.073 4.567 4.640 -0.000 0.000 0.208 307 D C 1.191 177.490 176.300 -0.002 0.000 0.963 307 D CA 0.997 54.999 54.000 0.003 0.000 0.864 307 D CB -0.294 40.508 40.800 0.003 0.000 0.936 307 D HN 0.648 nan 8.370 nan 0.000 0.505 308 N N 0.055 118.752 118.700 -0.004 0.000 2.463 308 N HA -0.011 4.729 4.740 -0.000 0.000 0.181 308 N C 0.279 175.783 175.510 -0.012 0.000 1.078 308 N CA -0.042 53.002 53.050 -0.009 0.000 0.902 308 N CB 0.504 38.984 38.487 -0.012 0.000 0.970 308 N HN 0.037 nan 8.380 nan 0.000 0.451 309 I N 1.175 121.741 120.570 -0.007 0.000 2.556 309 I HA 0.002 4.172 4.170 -0.000 0.000 0.284 309 I C 0.925 177.037 176.117 -0.008 0.000 1.114 309 I CA 0.520 61.815 61.300 -0.008 0.000 1.418 309 I CB 1.220 39.219 38.000 -0.003 0.000 1.394 309 I HN -0.045 nan 8.210 nan 0.000 0.552 310 K N 3.831 124.224 120.400 -0.011 0.000 2.373 310 K HA 0.311 4.631 4.320 -0.000 0.000 0.200 310 K C 0.526 177.122 176.600 -0.008 0.000 1.054 310 K CA -0.019 56.262 56.287 -0.010 0.000 1.065 310 K CB 0.571 33.063 32.500 -0.014 0.000 0.886 310 K HN 0.724 nan 8.250 nan 0.000 0.546 311 A N 1.287 124.102 122.820 -0.008 0.000 2.483 311 A HA 0.052 4.372 4.320 -0.000 0.000 0.238 311 A C 0.578 178.157 177.584 -0.008 0.000 1.070 311 A CA 0.176 52.207 52.037 -0.009 0.000 0.770 311 A CB 0.346 19.339 19.000 -0.012 0.000 1.008 311 A HN 0.234 nan 8.150 nan 0.000 0.497 312 K N 0.918 121.313 120.400 -0.009 0.000 2.076 312 K HA 0.101 4.421 4.320 -0.000 0.000 0.204 312 K C -0.254 176.338 176.600 -0.012 0.000 1.051 312 K CA 1.049 57.332 56.287 -0.007 0.000 0.949 312 K CB -0.083 32.413 32.500 -0.007 0.000 0.726 312 K HN 0.690 nan 8.250 nan 0.000 0.443 313 I N 1.481 122.036 120.570 -0.025 0.000 2.389 313 I HA 0.132 4.302 4.170 -0.000 0.000 0.288 313 I C -0.905 175.192 176.117 -0.033 0.000 0.999 313 I CA -0.822 60.456 61.300 -0.037 0.000 1.129 313 I CB 2.215 40.176 38.000 -0.065 0.000 1.288 313 I HN -0.260 nan 8.210 nan 0.000 0.444 314 V N 6.270 126.168 119.914 -0.027 0.000 2.294 314 V HA 0.440 4.560 4.120 -0.000 0.000 0.272 314 V C 0.517 176.591 176.094 -0.034 0.000 1.027 314 V CA -0.563 61.722 62.300 -0.024 0.000 0.823 314 V CB 1.144 32.960 31.823 -0.011 0.000 1.030 314 V HN 0.815 nan 8.190 nan 0.000 0.457 315 A N 4.614 127.407 122.820 -0.045 0.000 2.343 315 A HA 0.402 4.722 4.320 -0.000 0.000 0.305 315 A C 0.506 178.061 177.584 -0.049 0.000 1.308 315 A CA -0.417 51.586 52.037 -0.056 0.000 0.949 315 A CB -0.150 18.808 19.000 -0.070 0.000 1.148 315 A HN 0.831 nan 8.150 nan 0.000 0.545 316 E N 3.107 123.274 120.200 -0.053 0.000 1.791 316 E HA 0.125 4.475 4.350 -0.000 0.000 0.263 316 E C 0.469 177.035 176.600 -0.057 0.000 1.213 316 E CA -0.309 56.057 56.400 -0.055 0.000 0.991 316 E CB 0.429 30.089 29.700 -0.067 0.000 1.068 316 E HN 0.499 nan 8.360 nan 0.000 0.417 317 V N 1.905 121.791 119.914 -0.047 0.000 2.407 317 V HA -0.108 4.012 4.120 -0.000 0.000 0.245 317 V C 1.257 177.325 176.094 -0.044 0.000 1.041 317 V CA 1.398 63.672 62.300 -0.044 0.000 1.040 317 V CB -0.236 31.565 31.823 -0.036 0.000 0.671 317 V HN 0.614 nan 8.190 nan 0.000 0.455 318 A N 0.805 123.600 122.820 -0.042 0.000 2.387 318 A HA 0.192 4.512 4.320 -0.000 0.000 0.251 318 A C 0.260 177.800 177.584 -0.073 0.000 1.113 318 A CA -0.104 51.903 52.037 -0.051 0.000 0.794 318 A CB -0.122 18.852 19.000 -0.043 0.000 1.069 318 A HN 0.487 nan 8.150 nan 0.000 0.506 319 N N -0.046 118.597 118.700 -0.094 0.000 2.426 319 N HA 0.430 5.170 4.740 -0.000 0.000 0.275 319 N C 0.662 176.073 175.510 -0.165 0.000 1.019 319 N CA 1.002 53.964 53.050 -0.146 0.000 0.941 319 N CB 1.273 39.651 38.487 -0.180 0.000 1.123 319 N HN 1.284 nan 8.380 nan 0.000 0.486 320 G N 3.328 112.020 108.800 -0.181 0.000 2.221 320 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.265 320 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.265 320 G C -1.184 173.664 174.900 -0.088 0.000 1.041 320 G CA -0.126 44.880 45.100 -0.157 0.000 0.807 320 G HN 0.505 nan 8.290 nan 0.000 0.502 321 P HA 0.031 nan 4.420 nan 0.000 0.218 321 P C 0.672 177.955 177.300 -0.028 0.000 1.149 321 P CA 1.090 64.165 63.100 -0.042 0.000 0.817 321 P CB 0.280 31.959 31.700 -0.036 0.000 0.785 322 V N 1.479 121.376 119.914 -0.029 0.000 2.384 322 V HA 0.230 4.350 4.120 -0.000 0.000 0.287 322 V C 0.994 177.079 176.094 -0.014 0.000 1.020 322 V CA -0.700 61.592 62.300 -0.013 0.000 0.850 322 V CB 0.923 32.744 31.823 -0.002 0.000 0.987 322 V HN 0.133 nan 8.190 nan 0.000 0.436 323 T N 3.170 117.722 114.554 -0.003 0.000 2.748 323 T HA 0.219 4.568 4.350 -0.000 0.000 0.304 323 T C -1.588 173.111 174.700 -0.002 0.000 1.041 323 T CA -1.094 61.007 62.100 0.002 0.000 1.033 323 T CB 1.015 69.889 68.868 0.010 0.000 0.995 323 T HN 0.428 nan 8.240 nan 0.000 0.536 324 P HA -0.025 nan 4.420 nan 0.000 0.216 324 P C 1.326 178.630 177.300 0.007 0.000 1.153 324 P CA 1.099 64.192 63.100 -0.012 0.000 0.848 324 P CB 0.012 31.711 31.700 -0.001 0.000 0.787 325 E N -0.189 120.022 120.200 0.017 0.000 2.077 325 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 325 E C 2.165 178.787 176.600 0.036 0.000 0.989 325 E CA 1.493 57.909 56.400 0.026 0.000 0.800 325 E CB -1.025 28.688 29.700 0.022 0.000 0.746 325 E HN 0.124 nan 8.360 nan 0.000 0.452 326 A N 1.338 124.177 122.820 0.032 0.000 1.972 326 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 326 A C 1.629 179.257 177.584 0.074 0.000 1.169 326 A CA 1.728 53.789 52.037 0.040 0.000 0.635 326 A CB -0.508 18.509 19.000 0.028 0.000 0.810 326 A HN 0.114 nan 8.150 nan 0.000 0.446 327 D N 0.585 121.035 120.400 0.085 0.000 2.106 327 D HA -0.169 4.471 4.640 -0.000 0.000 0.191 327 D C 1.395 177.863 176.300 0.280 0.000 0.997 327 D CA 1.679 55.808 54.000 0.214 0.000 0.834 327 D CB -0.396 40.381 40.800 -0.039 0.000 0.956 327 D HN 0.439 nan 8.370 nan 0.000 0.448 328 D N 0.348 120.843 120.400 0.159 0.000 2.092 328 D HA -0.112 4.528 4.640 -0.000 0.000 0.193 328 D C 2.416 178.760 176.300 0.072 0.000 0.994 328 D CA 0.495 54.568 54.000 0.122 0.000 0.828 328 D CB -0.411 40.436 40.800 0.079 0.000 0.963 328 D HN 0.297 nan 8.370 nan 0.000 0.450 329 I N 0.837 121.441 120.570 0.057 0.000 2.127 329 I HA -0.261 3.909 4.170 -0.000 0.000 0.241 329 I C 2.630 178.763 176.117 0.027 0.000 1.075 329 I CA 0.841 62.162 61.300 0.035 0.000 1.334 329 I CB -0.313 37.704 38.000 0.029 0.000 1.040 329 I HN -0.023 nan 8.210 nan 0.000 0.405 330 L N 0.185 121.430 121.223 0.037 0.000 2.012 330 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 330 L C 2.842 179.702 176.870 -0.016 0.000 1.073 330 L CA 1.536 56.386 54.840 0.018 0.000 0.748 330 L CB -0.611 41.471 42.059 0.037 0.000 0.891 330 L HN 0.277 nan 8.230 nan 0.000 0.431 331 R N 0.175 120.649 120.500 -0.043 0.000 2.075 331 R HA -0.216 4.124 4.340 -0.000 0.000 0.232 331 R C 2.176 178.447 176.300 -0.047 0.000 1.126 331 R CA 1.561 57.588 56.100 -0.121 0.000 0.963 331 R CB -0.012 30.138 30.300 -0.249 0.000 0.858 331 R HN 0.181 nan 8.270 nan 0.000 0.435 332 E N 0.732 120.924 120.200 -0.013 0.000 2.153 332 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 332 E C 1.163 177.762 176.600 -0.001 0.000 0.988 332 E CA 1.427 57.827 56.400 -0.001 0.000 0.811 332 E CB 0.174 29.881 29.700 0.011 0.000 0.746 332 E HN 0.231 nan 8.360 nan 0.000 0.466 333 K N -1.270 119.129 120.400 -0.002 0.000 2.487 333 K HA 0.118 4.438 4.320 -0.000 0.000 0.192 333 K C 0.815 177.415 176.600 -0.000 0.000 1.027 333 K CA 0.521 56.809 56.287 0.000 0.000 1.054 333 K CB 0.357 32.858 32.500 0.002 0.000 0.824 333 K HN 0.269 nan 8.250 nan 0.000 0.510 334 G N 2.042 110.839 108.800 -0.004 0.000 2.143 334 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 334 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 334 G C 0.044 174.948 174.900 0.007 0.000 0.991 334 G CA -0.227 44.876 45.100 0.006 0.000 0.689 334 G HN 0.260 nan 8.290 nan 0.000 0.522 335 I N 1.029 121.594 120.570 -0.008 0.000 2.337 335 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 335 I C 1.034 177.140 176.117 -0.019 0.000 1.046 335 I CA -0.564 60.731 61.300 -0.007 0.000 1.324 335 I CB 1.195 39.191 38.000 -0.007 0.000 1.409 335 I HN 0.060 nan 8.210 nan 0.000 0.494 336 L N 7.823 129.046 121.223 -0.000 0.000 2.407 336 L HA 0.148 4.488 4.340 -0.000 0.000 0.282 336 L C -0.020 176.842 176.870 -0.014 0.000 1.110 336 L CA -0.080 54.760 54.840 0.000 0.000 0.863 336 L CB 0.176 42.258 42.059 0.039 0.000 1.207 336 L HN 0.647 nan 8.230 nan 0.000 0.454 337 Q N 4.894 124.680 119.800 -0.023 0.000 2.286 337 Q HA 0.342 4.682 4.340 -0.000 0.000 0.257 337 Q C -0.513 175.484 176.000 -0.005 0.000 0.941 337 Q CA -0.111 55.695 55.803 0.005 0.000 0.912 337 Q CB 1.771 30.555 28.738 0.077 0.000 1.192 337 Q HN 0.580 nan 8.270 nan 0.000 0.410 338 I N 5.356 125.917 120.570 -0.014 0.000 2.281 338 I HA 0.228 4.398 4.170 -0.000 0.000 0.293 338 I C -2.154 173.915 176.117 -0.081 0.000 1.085 338 I CA -2.342 58.947 61.300 -0.018 0.000 1.257 338 I CB 0.269 38.261 38.000 -0.013 0.000 1.430 338 I HN 0.279 nan 8.210 nan 0.000 0.489 339 P HA 0.014 nan 4.420 nan 0.000 0.269 339 P C 0.108 177.250 177.300 -0.263 0.000 1.215 339 P CA -0.161 62.802 63.100 -0.229 0.000 0.780 339 P CB 0.571 32.043 31.700 -0.380 0.000 0.898 340 D N 2.578 122.859 120.400 -0.199 0.000 2.106 340 D HA -0.269 4.371 4.640 -0.000 0.000 0.191 340 D C 1.443 177.694 176.300 -0.082 0.000 0.997 340 D CA 1.863 55.791 54.000 -0.120 0.000 0.834 340 D CB -1.619 39.125 40.800 -0.093 0.000 0.956 340 D HN 0.562 nan 8.370 nan 0.000 0.448 341 F N -0.474 119.409 119.950 -0.113 0.000 2.699 341 F HA 0.238 4.765 4.527 -0.000 0.000 0.298 341 F C 1.852 177.619 175.800 -0.054 0.000 1.154 341 F CA -0.180 57.768 58.000 -0.087 0.000 1.457 341 F CB -0.187 38.760 39.000 -0.088 0.000 1.106 341 F HN 0.061 nan 8.300 nan 0.000 0.585 342 L N 0.152 121.210 121.223 -0.275 0.000 2.200 342 L HA 0.093 4.433 4.340 -0.000 0.000 0.200 342 L C 2.349 179.189 176.870 -0.050 0.000 1.072 342 L CA 1.330 56.091 54.840 -0.133 0.000 0.787 342 L CB -1.109 40.816 42.059 -0.223 0.000 0.957 342 L HN 0.341 nan 8.230 nan 0.000 0.459 343 C N 1.966 121.218 119.300 -0.082 0.000 2.429 343 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 343 C C 2.172 177.145 174.990 -0.029 0.000 1.262 343 C CA 1.236 60.225 59.018 -0.049 0.000 1.733 343 C CB -1.481 26.218 27.740 -0.068 0.000 2.010 343 C HN 0.890 nan 8.230 nan 0.000 0.483 344 N N 0.450 119.136 118.700 -0.024 0.000 2.320 344 N HA 0.294 5.034 4.740 -0.000 0.000 0.237 344 N C 0.507 176.020 175.510 0.005 0.000 1.129 344 N CA 0.759 53.799 53.050 -0.016 0.000 0.854 344 N CB -0.283 38.188 38.487 -0.026 0.000 1.083 344 N HN 0.422 nan 8.380 nan 0.000 0.504 345 A N -0.626 122.208 122.820 0.024 0.000 2.251 345 A HA 0.378 4.698 4.320 -0.000 0.000 0.209 345 A C 1.983 179.582 177.584 0.024 0.000 1.187 345 A CA 0.311 52.371 52.037 0.037 0.000 0.823 345 A CB -0.728 18.311 19.000 0.066 0.000 0.846 345 A HN 0.401 nan 8.150 nan 0.000 0.486 346 G N 0.138 108.954 108.800 0.026 0.000 2.432 346 G HA2 0.015 3.975 3.960 -0.000 0.000 0.219 346 G HA3 0.015 3.975 3.960 -0.000 0.000 0.219 346 G C 1.403 176.306 174.900 0.005 0.000 1.135 346 G CA 1.148 46.269 45.100 0.036 0.000 0.767 346 G HN 0.575 nan 8.290 nan 0.000 0.550 347 G N 0.310 109.103 108.800 -0.011 0.000 2.453 347 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.215 347 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.215 347 G C 1.726 176.609 174.900 -0.027 0.000 1.201 347 G CA 1.067 46.153 45.100 -0.023 0.000 0.784 347 G HN 0.321 nan 8.290 nan 0.000 0.545 348 V N 0.934 120.834 119.914 -0.023 0.000 2.720 348 V HA -0.124 3.996 4.120 -0.000 0.000 0.256 348 V C 2.967 179.048 176.094 -0.021 0.000 1.082 348 V CA 2.625 64.915 62.300 -0.016 0.000 1.101 348 V CB -0.518 31.301 31.823 -0.006 0.000 0.693 348 V HN 0.426 nan 8.190 nan 0.000 0.479 349 T N -0.820 113.689 114.554 -0.075 0.000 2.896 349 T HA -0.079 4.271 4.350 -0.000 0.000 0.263 349 T C 1.798 176.238 174.700 -0.434 0.000 1.050 349 T CA 1.527 63.490 62.100 -0.228 0.000 1.140 349 T CB 0.064 68.829 68.868 -0.172 0.000 0.877 349 T HN 0.366 nan 8.240 nan 0.000 0.457 350 V N 2.248 122.061 119.914 -0.169 0.000 2.667 350 V HA -0.115 4.005 4.120 -0.000 0.000 0.252 350 V C 2.795 178.887 176.094 -0.004 0.000 1.065 350 V CA 1.706 63.986 62.300 -0.034 0.000 1.083 350 V CB -0.671 31.206 31.823 0.090 0.000 0.692 350 V HN 0.637 nan 8.190 nan 0.000 0.468 351 S N 0.128 115.822 115.700 -0.010 0.000 2.382 351 S HA -0.295 4.175 4.470 -0.000 0.000 0.228 351 S C 2.061 176.727 174.600 0.110 0.000 1.027 351 S CA 1.786 60.002 58.200 0.025 0.000 0.991 351 S CB -0.744 62.452 63.200 -0.007 0.000 0.823 351 S HN 0.679 nan 8.310 nan 0.000 0.469 352 Y N 1.659 121.966 120.300 0.011 0.000 2.181 352 Y HA -0.006 4.544 4.550 -0.000 0.000 0.288 352 Y C 1.689 177.718 175.900 0.214 0.000 1.146 352 Y CA 1.326 59.505 58.100 0.132 0.000 1.164 352 Y CB -0.649 37.781 38.460 -0.050 0.000 0.982 352 Y HN 0.232 nan 8.280 nan 0.000 0.515 353 F N 1.163 121.073 119.950 -0.066 0.000 2.216 353 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 353 F C 2.547 178.039 175.800 -0.514 0.000 1.085 353 F CA 1.396 59.184 58.000 -0.353 0.000 1.326 353 F CB -1.149 37.780 39.000 -0.120 0.000 1.027 353 F HN 0.274 nan 8.300 nan 0.000 0.497 354 E N -0.724 119.442 120.200 -0.057 0.000 2.028 354 E HA -0.275 4.075 4.350 -0.000 0.000 0.191 354 E C 2.252 178.821 176.600 -0.052 0.000 0.988 354 E CA 1.363 57.713 56.400 -0.083 0.000 0.799 354 E CB -0.548 29.154 29.700 0.003 0.000 0.755 354 E HN 0.434 nan 8.360 nan 0.000 0.447 355 W N 0.830 122.029 121.300 -0.169 0.000 2.325 355 W HA -0.246 4.414 4.660 -0.000 0.000 0.299 355 W C 1.869 178.242 176.519 -0.244 0.000 1.215 355 W CA 1.626 58.876 57.345 -0.158 0.000 1.244 355 W CB -0.242 29.188 29.460 -0.050 0.000 1.140 355 W HN -0.052 nan 8.180 nan 0.000 0.523 356 V N 0.704 120.518 119.914 -0.167 0.000 2.358 356 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 356 V C 2.276 178.119 176.094 -0.419 0.000 1.047 356 V CA 2.351 64.432 62.300 -0.364 0.000 1.035 356 V CB -0.942 30.746 31.823 -0.225 0.000 0.658 356 V HN 0.264 nan 8.190 nan 0.000 0.452 357 Q N 0.033 119.483 119.800 -0.582 0.000 2.084 357 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 357 Q C 2.083 177.682 176.000 -0.669 0.000 0.978 357 Q CA 1.996 57.329 55.803 -0.783 0.000 0.844 357 Q CB -0.279 27.805 28.738 -1.090 0.000 0.898 357 Q HN 0.762 nan 8.270 nan 0.000 0.426 358 N N 0.832 119.311 118.700 -0.369 0.000 2.028 358 N HA -0.150 4.590 4.740 -0.000 0.000 0.194 358 N C 1.985 177.377 175.510 -0.196 0.000 1.050 358 N CA 1.458 54.442 53.050 -0.110 0.000 0.848 358 N CB -0.355 38.139 38.487 0.011 0.000 1.038 358 N HN 0.314 nan 8.380 nan 0.000 0.423 359 I N -1.575 118.749 120.570 -0.410 0.000 2.916 359 I HA -0.039 4.131 4.170 -0.000 0.000 0.267 359 I C 0.611 176.610 176.117 -0.197 0.000 1.263 359 I CA 1.311 62.392 61.300 -0.365 0.000 1.471 359 I CB -0.132 37.461 38.000 -0.679 0.000 1.089 359 I HN 0.062 nan 8.210 nan 0.000 0.468 360 N N 1.431 120.013 118.700 -0.196 0.000 2.205 360 N HA 0.149 4.889 4.740 -0.000 0.000 0.201 360 N C 1.363 176.866 175.510 -0.011 0.000 1.128 360 N CA 0.818 53.823 53.050 -0.076 0.000 0.867 360 N CB 0.872 39.335 38.487 -0.039 0.000 0.996 360 N HN 0.563 nan 8.380 nan 0.000 0.503 361 G N 0.978 109.747 108.800 -0.051 0.000 2.258 361 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.274 361 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.274 361 G C -0.436 174.528 174.900 0.107 0.000 1.021 361 G CA 0.649 45.782 45.100 0.055 0.000 0.798 361 G HN 0.493 nan 8.290 nan 0.000 0.507 362 Y N -0.830 119.321 120.300 -0.249 0.000 2.396 362 Y HA 0.601 5.151 4.550 -0.000 0.000 0.332 362 Y C -0.596 175.073 175.900 -0.385 0.000 1.034 362 Y CA -1.426 56.599 58.100 -0.124 0.000 1.057 362 Y CB 1.291 39.758 38.460 0.012 0.000 1.220 362 Y HN 0.127 nan 8.280 nan 0.000 0.440 363 Y N 3.532 123.705 120.300 -0.212 0.000 2.446 363 Y HA 0.443 4.993 4.550 -0.000 0.000 0.338 363 Y C -0.848 175.128 175.900 0.126 0.000 1.055 363 Y CA -0.828 57.205 58.100 -0.112 0.000 1.101 363 Y CB 1.148 39.523 38.460 -0.143 0.000 1.221 363 Y HN 0.498 nan 8.280 nan 0.000 0.460 364 W N 1.022 122.365 121.300 0.071 0.000 2.509 364 W HA 0.480 5.140 4.660 -0.000 0.000 0.351 364 W C 0.144 176.691 176.519 0.047 0.000 1.107 364 W CA -1.691 55.682 57.345 0.047 0.000 1.264 364 W CB 0.789 30.248 29.460 -0.003 0.000 1.312 364 W HN 0.479 nan 8.180 nan 0.000 0.608 365 T N -2.091 112.630 114.554 0.278 0.000 2.849 365 T HA 0.097 4.447 4.350 -0.000 0.000 0.284 365 T C 1.007 175.800 174.700 0.155 0.000 1.004 365 T CA -0.211 61.986 62.100 0.162 0.000 1.021 365 T CB 1.421 70.352 68.868 0.105 0.000 1.013 365 T HN 0.432 nan 8.240 nan 0.000 0.527 366 E N 0.687 120.951 120.200 0.106 0.000 2.114 366 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 366 E C 1.803 178.461 176.600 0.096 0.000 1.008 366 E CA 1.950 58.405 56.400 0.092 0.000 0.810 366 E CB -0.311 29.424 29.700 0.059 0.000 0.739 366 E HN 0.818 nan 8.360 nan 0.000 0.456 367 E N 0.119 120.366 120.200 0.078 0.000 2.107 367 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 367 E C 1.989 178.618 176.600 0.047 0.000 0.982 367 E CA 1.236 57.673 56.400 0.060 0.000 0.809 367 E CB -0.087 29.637 29.700 0.040 0.000 0.756 367 E HN 0.387 nan 8.360 nan 0.000 0.459 368 E N -0.045 120.180 120.200 0.041 0.000 2.110 368 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 368 E C 1.919 178.520 176.600 0.001 0.000 0.988 368 E CA 1.040 57.420 56.400 -0.033 0.000 0.804 368 E CB 0.062 29.715 29.700 -0.077 0.000 0.745 368 E HN 0.050 nan 8.360 nan 0.000 0.458 369 V N 0.858 120.871 119.914 0.165 0.000 2.515 369 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 369 V C 2.271 178.490 176.094 0.208 0.000 1.058 369 V CA 1.739 64.179 62.300 0.233 0.000 1.064 369 V CB -0.374 31.624 31.823 0.292 0.000 0.675 369 V HN 0.132 nan 8.190 nan 0.000 0.461 370 R N 0.990 121.590 120.500 0.168 0.000 2.057 370 R HA -0.158 4.182 4.340 -0.000 0.000 0.229 370 R C 2.485 178.882 176.300 0.161 0.000 1.136 370 R CA 1.814 58.042 56.100 0.213 0.000 0.952 370 R CB -0.490 29.918 30.300 0.180 0.000 0.848 370 R HN 0.712 nan 8.270 nan 0.000 0.430 371 E N 0.487 120.720 120.200 0.055 0.000 2.097 371 E HA -0.295 4.055 4.350 -0.000 0.000 0.196 371 E C 1.618 178.197 176.600 -0.034 0.000 1.000 371 E CA 1.567 57.955 56.400 -0.019 0.000 0.804 371 E CB -0.108 29.561 29.700 -0.052 0.000 0.740 371 E HN 0.183 nan 8.360 nan 0.000 0.454 372 K N 0.329 120.698 120.400 -0.052 0.000 2.057 372 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 372 K C 2.112 178.870 176.600 0.264 0.000 1.050 372 K CA 0.996 57.255 56.287 -0.048 0.000 0.935 372 K CB -0.357 31.854 32.500 -0.482 0.000 0.715 372 K HN 0.143 nan 8.250 nan 0.000 0.439 373 L N 1.259 122.736 121.223 0.422 0.000 2.046 373 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 373 L C 1.840 178.841 176.870 0.218 0.000 1.077 373 L CA 1.914 57.065 54.840 0.519 0.000 0.747 373 L CB -0.618 41.782 42.059 0.570 0.000 0.896 373 L HN 0.255 nan 8.230 nan 0.000 0.432 374 D N -0.123 120.223 120.400 -0.090 0.000 2.087 374 D HA -0.244 4.396 4.640 -0.000 0.000 0.192 374 D C 2.007 178.093 176.300 -0.357 0.000 0.993 374 D CA 1.734 55.235 54.000 -0.832 0.000 0.828 374 D CB 0.047 40.385 40.800 -0.770 0.000 0.968 374 D HN 0.421 nan 8.370 nan 0.000 0.448 375 K N 0.303 120.624 120.400 -0.132 0.000 2.057 375 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 375 K C 2.369 179.002 176.600 0.055 0.000 1.049 375 K CA 0.739 57.013 56.287 -0.023 0.000 0.931 375 K CB 0.012 32.514 32.500 0.004 0.000 0.714 375 K HN 0.094 nan 8.250 nan 0.000 0.440 376 K N 0.325 120.797 120.400 0.120 0.000 2.026 376 K HA -0.061 4.259 4.320 -0.000 0.000 0.208 376 K C 2.144 178.809 176.600 0.108 0.000 1.048 376 K CA 1.198 57.573 56.287 0.147 0.000 0.929 376 K CB -0.014 32.621 32.500 0.224 0.000 0.713 376 K HN 0.131 nan 8.250 nan 0.000 0.439 377 M N 0.220 119.883 119.600 0.104 0.000 2.200 377 M HA -0.075 4.405 4.480 -0.000 0.000 0.265 377 M C 2.140 178.487 176.300 0.078 0.000 1.066 377 M CA 1.385 56.753 55.300 0.113 0.000 1.127 377 M CB -1.179 31.548 32.600 0.212 0.000 1.379 377 M HN 0.072 nan 8.290 nan 0.000 0.420 378 T N 0.745 115.317 114.554 0.030 0.000 2.643 378 T HA -0.184 4.166 4.350 -0.000 0.000 0.264 378 T C 1.895 176.692 174.700 0.162 0.000 1.045 378 T CA 1.667 63.806 62.100 0.065 0.000 1.155 378 T CB -0.216 68.707 68.868 0.092 0.000 0.863 378 T HN 0.366 nan 8.240 nan 0.000 0.420 379 K N 1.129 121.648 120.400 0.198 0.000 2.074 379 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 379 K C 2.418 179.112 176.600 0.156 0.000 1.048 379 K CA 1.532 57.955 56.287 0.226 0.000 0.926 379 K CB -0.350 32.241 32.500 0.153 0.000 0.713 379 K HN 0.304 nan 8.250 nan 0.000 0.444 380 A N 0.525 123.401 122.820 0.093 0.000 1.929 380 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 380 A C 1.955 179.517 177.584 -0.037 0.000 1.176 380 A CA 1.026 53.091 52.037 0.047 0.000 0.628 380 A CB -0.680 18.351 19.000 0.053 0.000 0.816 380 A HN 0.523 nan 8.150 nan 0.000 0.444 381 F N -0.730 119.126 119.950 -0.156 0.000 2.075 381 F HA -0.205 4.322 4.527 -0.000 0.000 0.297 381 F C 2.065 177.683 175.800 -0.302 0.000 1.113 381 F CA 1.940 59.748 58.000 -0.321 0.000 1.218 381 F CB -0.426 38.238 39.000 -0.559 0.000 0.984 381 F HN 0.400 nan 8.300 nan 0.000 0.472 382 W N 1.047 122.299 121.300 -0.081 0.000 2.318 382 W HA -0.211 4.449 4.660 -0.000 0.000 0.313 382 W C 2.500 178.980 176.519 -0.066 0.000 1.221 382 W CA 1.532 58.852 57.345 -0.043 0.000 1.266 382 W CB -0.637 28.871 29.460 0.080 0.000 1.150 382 W HN 0.070 nan 8.180 nan 0.000 0.496 383 E N -0.104 120.174 120.200 0.129 0.000 2.070 383 E HA -0.249 4.100 4.350 -0.000 0.000 0.197 383 E C 1.982 178.577 176.600 -0.009 0.000 1.004 383 E CA 2.035 58.476 56.400 0.070 0.000 0.805 383 E CB -0.544 29.191 29.700 0.058 0.000 0.744 383 E HN 0.105 nan 8.360 nan 0.000 0.451 384 V N 0.343 120.189 119.914 -0.114 0.000 2.453 384 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 384 V C 1.923 177.915 176.094 -0.169 0.000 1.048 384 V CA 1.588 63.797 62.300 -0.153 0.000 1.049 384 V CB -0.505 31.180 31.823 -0.231 0.000 0.672 384 V HN 0.298 nan 8.190 nan 0.000 0.457 385 Y N 1.882 121.929 120.300 -0.422 0.000 2.130 385 Y HA -0.170 4.380 4.550 -0.000 0.000 0.287 385 Y C 2.324 178.290 175.900 0.110 0.000 1.124 385 Y CA 2.043 59.962 58.100 -0.302 0.000 1.118 385 Y CB -0.639 37.441 38.460 -0.634 0.000 0.994 385 Y HN 0.320 nan 8.280 nan 0.000 0.497 386 N N -1.087 117.628 118.700 0.025 0.000 2.205 386 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 386 N C 1.591 177.068 175.510 -0.056 0.000 1.015 386 N CA 1.760 54.798 53.050 -0.021 0.000 0.862 386 N CB -0.222 38.328 38.487 0.106 0.000 0.986 386 N HN 0.307 nan 8.380 nan 0.000 0.429 387 T N 0.019 114.563 114.554 -0.017 0.000 2.746 387 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 387 T C 1.751 176.444 174.700 -0.012 0.000 1.039 387 T CA 1.222 63.317 62.100 -0.008 0.000 1.142 387 T CB -0.378 68.498 68.868 0.013 0.000 0.866 387 T HN 0.519 nan 8.240 nan 0.000 0.444 388 H N 1.337 120.308 119.070 -0.165 0.000 2.462 388 H HA 0.163 4.718 4.556 -0.000 0.000 0.292 388 H C 1.946 177.162 175.328 -0.188 0.000 1.049 388 H CA 1.059 57.011 56.048 -0.161 0.000 1.334 388 H CB -0.158 29.509 29.762 -0.158 0.000 1.404 388 H HN 0.251 nan 8.280 nan 0.000 0.544 389 K N 0.519 120.559 120.400 -0.601 0.000 1.973 389 K HA -0.110 4.210 4.320 -0.000 0.000 0.210 389 K C 1.898 178.332 176.600 -0.278 0.000 1.045 389 K CA 1.595 57.546 56.287 -0.559 0.000 0.937 389 K CB 0.016 32.245 32.500 -0.452 0.000 0.721 389 K HN 0.252 nan 8.250 nan 0.000 0.438 390 D N 0.820 121.118 120.400 -0.171 0.000 2.116 390 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 390 D C 1.551 177.807 176.300 -0.074 0.000 0.998 390 D CA 1.442 55.385 54.000 -0.095 0.000 0.836 390 D CB -0.086 40.681 40.800 -0.054 0.000 0.951 390 D HN 0.170 nan 8.370 nan 0.000 0.449 391 K N 0.191 120.552 120.400 -0.065 0.000 2.459 391 K HA 0.013 4.333 4.320 -0.000 0.000 0.193 391 K C 0.140 176.720 176.600 -0.034 0.000 1.030 391 K CA -0.154 56.120 56.287 -0.023 0.000 1.026 391 K CB 0.041 32.552 32.500 0.018 0.000 0.809 391 K HN 0.095 nan 8.250 nan 0.000 0.504 392 N N 1.791 120.427 118.700 -0.107 0.000 2.667 392 N HA -0.181 4.558 4.740 -0.000 0.000 0.263 392 N C -0.941 174.534 175.510 -0.059 0.000 1.038 392 N CA 0.704 53.678 53.050 -0.126 0.000 0.749 392 N CB -1.008 37.432 38.487 -0.080 0.000 0.892 392 N HN 0.328 nan 8.380 nan 0.000 0.546 393 I N -2.325 118.213 120.570 -0.054 0.000 3.042 393 I HA 0.399 4.569 4.170 -0.000 0.000 0.310 393 I C 0.660 176.835 176.117 0.098 0.000 1.117 393 I CA -1.128 60.168 61.300 -0.008 0.000 1.003 393 I CB 1.552 39.501 38.000 -0.084 0.000 1.228 393 I HN -0.009 nan 8.210 nan 0.000 0.443 394 H N 3.851 122.891 119.070 -0.050 0.000 3.064 394 H HA 0.052 4.608 4.556 -0.000 0.000 0.329 394 H C 0.875 176.169 175.328 -0.056 0.000 1.020 394 H CA 0.512 56.547 56.048 -0.022 0.000 1.402 394 H CB 1.050 30.755 29.762 -0.095 0.000 1.379 394 H HN 0.660 nan 8.280 nan 0.000 0.594 395 M N 4.294 123.981 119.600 0.146 0.000 2.103 395 M HA -0.287 4.193 4.480 -0.000 0.000 0.255 395 M C 2.332 178.635 176.300 0.005 0.000 1.074 395 M CA 1.746 57.015 55.300 -0.053 0.000 1.090 395 M CB -0.879 31.638 32.600 -0.138 0.000 1.325 395 M HN 0.674 nan 8.290 nan 0.000 0.403 396 R N 0.285 120.826 120.500 0.068 0.000 2.070 396 R HA -0.165 4.175 4.340 -0.000 0.000 0.233 396 R C 1.725 178.048 176.300 0.039 0.000 1.137 396 R CA 1.885 57.934 56.100 -0.084 0.000 0.945 396 R CB -0.184 29.993 30.300 -0.204 0.000 0.845 396 R HN 0.347 nan 8.270 nan 0.000 0.430 397 D N 0.191 120.546 120.400 -0.074 0.000 2.182 397 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 397 D C 1.666 177.948 176.300 -0.029 0.000 0.986 397 D CA 1.445 55.355 54.000 -0.149 0.000 0.847 397 D CB -0.130 40.279 40.800 -0.652 0.000 0.942 397 D HN 0.431 nan 8.370 nan 0.000 0.467 398 A N 1.125 123.934 122.820 -0.019 0.000 1.930 398 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 398 A C 2.352 179.958 177.584 0.036 0.000 1.175 398 A CA 1.938 53.984 52.037 0.015 0.000 0.627 398 A CB -0.518 18.492 19.000 0.017 0.000 0.815 398 A HN 0.240 nan 8.150 nan 0.000 0.443 399 A N -1.485 121.334 122.820 -0.002 0.000 1.898 399 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 399 A C 2.056 179.772 177.584 0.221 0.000 1.181 399 A CA 1.460 53.485 52.037 -0.021 0.000 0.620 399 A CB -0.804 17.933 19.000 -0.439 0.000 0.819 399 A HN 0.556 nan 8.150 nan 0.000 0.442 400 Y N -0.368 120.059 120.300 0.212 0.000 2.207 400 Y HA -0.180 4.370 4.550 -0.000 0.000 0.287 400 Y C 2.603 178.489 175.900 -0.023 0.000 1.156 400 Y CA 1.597 59.745 58.100 0.081 0.000 1.182 400 Y CB -0.365 38.072 38.460 -0.040 0.000 0.979 400 Y HN 0.118 nan 8.280 nan 0.000 0.521 401 V N -1.283 118.732 119.914 0.168 0.000 2.270 401 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 401 V C 2.206 178.355 176.094 0.091 0.000 1.043 401 V CA 1.604 63.963 62.300 0.099 0.000 1.014 401 V CB -0.743 31.133 31.823 0.088 0.000 0.645 401 V HN 0.207 nan 8.190 nan 0.000 0.447 402 V N 0.308 120.279 119.914 0.095 0.000 2.380 402 V HA -0.297 3.823 4.120 -0.000 0.000 0.251 402 V C 2.548 178.713 176.094 0.118 0.000 1.063 402 V CA 2.199 64.555 62.300 0.093 0.000 1.055 402 V CB -1.155 30.714 31.823 0.078 0.000 0.657 402 V HN 0.570 nan 8.190 nan 0.000 0.455 403 A N -0.185 122.725 122.820 0.150 0.000 1.835 403 A HA -0.090 4.230 4.320 -0.000 0.000 0.213 403 A C 2.303 179.992 177.584 0.175 0.000 1.210 403 A CA 1.618 53.767 52.037 0.187 0.000 0.605 403 A CB -0.809 18.322 19.000 0.217 0.000 0.860 403 A HN 0.279 nan 8.150 nan 0.000 0.447 404 V N 0.635 120.579 119.914 0.050 0.000 2.568 404 V HA -0.234 3.886 4.120 -0.000 0.000 0.253 404 V C 2.714 178.868 176.094 0.100 0.000 1.072 404 V CA 2.232 64.526 62.300 -0.009 0.000 1.084 404 V CB -0.917 30.762 31.823 -0.240 0.000 0.676 404 V HN 0.535 nan 8.190 nan 0.000 0.469 405 S N -0.426 115.340 115.700 0.110 0.000 2.356 405 S HA -0.182 4.288 4.470 -0.000 0.000 0.223 405 S C 2.133 176.826 174.600 0.155 0.000 1.032 405 S CA 1.479 59.774 58.200 0.159 0.000 1.005 405 S CB -0.282 62.988 63.200 0.117 0.000 0.867 405 S HN 0.558 nan 8.310 nan 0.000 0.449 406 R N 0.437 121.011 120.500 0.124 0.000 2.081 406 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 406 R C 2.221 178.576 176.300 0.092 0.000 1.131 406 R CA 1.331 57.486 56.100 0.091 0.000 0.960 406 R CB -0.600 29.752 30.300 0.088 0.000 0.856 406 R HN 0.252 nan 8.270 nan 0.000 0.436 407 V N 0.036 120.046 119.914 0.160 0.000 2.307 407 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 407 V C 1.969 178.134 176.094 0.119 0.000 1.045 407 V CA 1.654 64.049 62.300 0.159 0.000 1.024 407 V CB -0.694 31.322 31.823 0.321 0.000 0.651 407 V HN 0.288 nan 8.190 nan 0.000 0.449 408 Y N 1.277 121.579 120.300 0.004 0.000 2.128 408 Y HA -0.303 4.247 4.550 -0.000 0.000 0.284 408 Y C 2.663 178.501 175.900 -0.103 0.000 1.154 408 Y CA 2.222 60.289 58.100 -0.054 0.000 1.149 408 Y CB -0.666 37.780 38.460 -0.023 0.000 0.976 408 Y HN 0.249 nan 8.280 nan 0.000 0.505 409 Q N 0.310 120.080 119.800 -0.051 0.000 2.061 409 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 409 Q C 2.466 178.339 176.000 -0.211 0.000 0.984 409 Q CA 2.153 57.842 55.803 -0.190 0.000 0.846 409 Q CB -0.937 27.743 28.738 -0.096 0.000 0.902 409 Q HN 0.529 nan 8.270 nan 0.000 0.421 410 A N 0.080 122.797 122.820 -0.173 0.000 1.865 410 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 410 A C 2.169 179.480 177.584 -0.456 0.000 1.191 410 A CA 2.099 53.980 52.037 -0.261 0.000 0.623 410 A CB -0.691 18.181 19.000 -0.213 0.000 0.826 410 A HN 0.509 nan 8.150 nan 0.000 0.444 411 M N -1.051 118.265 119.600 -0.473 0.000 2.106 411 M HA -0.225 4.254 4.480 -0.000 0.000 0.259 411 M C 2.217 178.229 176.300 -0.480 0.000 1.068 411 M CA 2.138 57.059 55.300 -0.631 0.000 1.100 411 M CB -0.402 31.949 32.600 -0.416 0.000 1.351 411 M HN 0.319 nan 8.290 nan 0.000 0.404 412 K N 0.074 120.254 120.400 -0.368 0.000 2.097 412 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 412 K C 1.450 177.898 176.600 -0.253 0.000 1.050 412 K CA 1.169 57.271 56.287 -0.308 0.000 0.938 412 K CB -0.044 32.216 32.500 -0.400 0.000 0.718 412 K HN 0.220 nan 8.250 nan 0.000 0.442 413 D N 0.033 120.273 120.400 -0.266 0.000 2.312 413 D HA -0.065 4.575 4.640 -0.000 0.000 0.211 413 D C 1.532 177.712 176.300 -0.201 0.000 0.964 413 D CA 0.838 54.717 54.000 -0.202 0.000 0.877 413 D CB 0.174 40.868 40.800 -0.177 0.000 0.924 413 D HN 0.132 nan 8.370 nan 0.000 0.515 414 R N -0.800 119.510 120.500 -0.317 0.000 2.210 414 R HA 0.168 4.507 4.340 -0.000 0.000 0.203 414 R C 1.351 177.589 176.300 -0.103 0.000 1.010 414 R CA 0.705 56.629 56.100 -0.293 0.000 1.008 414 R CB 0.533 30.391 30.300 -0.736 0.000 0.923 414 R HN 0.139 nan 8.270 nan 0.000 0.469 415 G N -0.552 108.183 108.800 -0.107 0.000 2.159 415 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.227 415 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.227 415 G C 0.365 175.350 174.900 0.142 0.000 0.986 415 G CA 0.022 45.138 45.100 0.025 0.000 0.651 415 G HN 0.207 nan 8.290 nan 0.000 0.523 416 W N 0.416 121.613 121.300 -0.172 0.000 2.355 416 W HA 0.283 4.943 4.660 -0.000 0.000 0.309 416 W C 1.709 178.036 176.519 -0.320 0.000 1.206 416 W CA 1.536 58.705 57.345 -0.294 0.000 1.284 416 W CB -0.966 28.045 29.460 -0.749 0.000 1.145 416 W HN 0.746 nan 8.180 nan 0.000 0.502 417 V N -1.345 118.501 119.914 -0.113 0.000 2.628 417 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 417 V C 0.724 176.808 176.094 -0.017 0.000 1.045 417 V CA -1.246 61.033 62.300 -0.036 0.000 0.905 417 V CB 2.164 33.961 31.823 -0.043 0.000 0.997 417 V HN -0.207 nan 8.190 nan 0.000 0.436 418 K N 1.784 122.200 120.400 0.027 0.000 2.128 418 K HA 0.261 4.581 4.320 -0.000 0.000 0.202 418 K C 0.699 177.297 176.600 -0.003 0.000 1.050 418 K CA 0.881 57.174 56.287 0.010 0.000 0.966 418 K CB 0.088 32.607 32.500 0.033 0.000 0.759 418 K HN 0.697 nan 8.250 nan 0.000 0.454 419 K N 0.000 120.422 120.400 0.036 0.000 2.780 419 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 419 K CA 0.000 56.320 56.287 0.055 0.000 0.838 419 K CB 0.000 32.550 32.500 0.083 0.000 1.064 419 K HN 0.000 nan 8.250 nan 0.000 0.543