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_F DATA FIRST_RESID 3 DATA SEQUENCE EIDPFEMAVK QLERAAQYMD ISEEALEWLK KPMRIVEVSV PIEMDDGSVK DATA SEQUENCE VFTGFRVQHN WARGPTKGGI RWHPAETLST VKALATWMTW KVAVVDLPYG DATA SEQUENCE GGKGGIIVNP KELSEREQER LARAYIRAVY DVIGPWTDIP APDVYTNPKI DATA SEQUENCE MGWMMDEYET IMRRKGPAFG VITGKPLSIG GSLGRGTATA QGAIFTIREA DATA SEQUENCE AKALGIDLKG KKIAVQGYGN AGYYTAKLAK EQLGMTVVAV SDSRGGIYNP DATA SEQUENCE DGLDPDEVLK WKREHGSVKD FPGATNITNE ELLELEVDVL APAAIEEVIT DATA SEQUENCE EKNADNIKAK IVAEVANGPV TPEADDILRE KGILQIPDFL CNAGGVTVSY DATA SEQUENCE FEWVQNINGY YWTEEEVREK LDKKMTKAFW EVYNTHKDKN IHMRDAAYVV DATA SEQUENCE AVSRVYQAMK DRGWVKK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.607 176.600 0.012 0.000 1.382 3 E CA 0.000 56.403 56.400 0.006 0.000 0.976 3 E CB 0.000 29.711 29.700 0.019 0.000 0.812 4 I N -0.877 119.712 120.570 0.032 0.000 1.702 4 I HA 0.121 4.292 4.170 0.000 0.000 0.314 4 I C -1.350 174.808 176.117 0.069 0.000 3.023 4 I CA 0.405 61.746 61.300 0.069 0.000 1.020 4 I CB 1.897 39.974 38.000 0.128 0.000 2.358 4 I HN 0.543 nan 8.210 nan 0.000 0.693 5 D N -0.898 119.553 120.400 0.086 0.000 1.598 5 D HA -0.118 4.522 4.640 0.000 0.000 0.248 5 D C -2.070 174.280 176.300 0.083 0.000 0.798 5 D CA 0.784 54.821 54.000 0.062 0.000 1.124 5 D CB -1.327 39.505 40.800 0.053 0.000 1.461 5 D HN 0.294 nan 8.370 nan 0.000 0.769 6 P HA -0.017 nan 4.420 nan 0.000 0.215 6 P C 1.539 178.877 177.300 0.064 0.000 1.157 6 P CA 1.476 64.661 63.100 0.142 0.000 0.874 6 P CB -0.288 31.486 31.700 0.123 0.000 0.790 7 F N 0.593 120.469 119.950 -0.123 0.000 2.113 7 F HA -0.155 4.372 4.527 0.000 0.000 0.297 7 F C 2.256 177.984 175.800 -0.120 0.000 1.103 7 F CA 1.340 59.223 58.000 -0.195 0.000 1.248 7 F CB -0.281 38.619 39.000 -0.166 0.000 0.999 7 F HN -0.138 nan 8.300 nan 0.000 0.475 8 E N 0.227 120.353 120.200 -0.124 0.000 2.065 8 E HA -0.363 3.987 4.350 0.000 0.000 0.201 8 E C 2.182 178.698 176.600 -0.140 0.000 1.016 8 E CA 2.168 58.471 56.400 -0.162 0.000 0.818 8 E CB -0.315 29.362 29.700 -0.038 0.000 0.749 8 E HN 0.503 nan 8.360 nan 0.000 0.453 9 M N 0.166 119.752 119.600 -0.024 0.000 2.065 9 M HA -0.240 4.240 4.480 0.000 0.000 0.259 9 M C 2.303 178.679 176.300 0.127 0.000 1.069 9 M CA 1.933 57.286 55.300 0.088 0.000 1.110 9 M CB -0.142 32.590 32.600 0.219 0.000 1.328 9 M HN 0.189 nan 8.290 nan 0.000 0.405 10 A N -0.378 122.451 122.820 0.015 0.000 1.873 10 A HA -0.191 4.129 4.320 0.000 0.000 0.218 10 A C 2.036 179.548 177.584 -0.120 0.000 1.193 10 A CA 2.281 54.228 52.037 -0.150 0.000 0.629 10 A CB -1.389 17.037 19.000 -0.956 0.000 0.826 10 A HN 0.437 nan 8.150 nan 0.000 0.447 11 V N 0.122 119.815 119.914 -0.368 0.000 2.392 11 V HA -0.314 3.806 4.120 0.000 0.000 0.249 11 V C 2.487 178.505 176.094 -0.126 0.000 1.059 11 V CA 2.436 64.562 62.300 -0.291 0.000 1.051 11 V CB -0.726 30.814 31.823 -0.471 0.000 0.658 11 V HN 0.548 nan 8.190 nan 0.000 0.455 12 K N 0.266 120.608 120.400 -0.097 0.000 2.026 12 K HA -0.220 4.100 4.320 0.000 0.000 0.208 12 K C 2.236 178.809 176.600 -0.045 0.000 1.048 12 K CA 1.837 58.090 56.287 -0.055 0.000 0.929 12 K CB -0.266 32.216 32.500 -0.030 0.000 0.713 12 K HN 0.702 nan 8.250 nan 0.000 0.439 13 Q N 0.706 120.505 119.800 -0.002 0.000 2.369 13 Q HA -0.115 4.225 4.340 0.000 0.000 0.206 13 Q C 2.033 177.918 176.000 -0.192 0.000 0.963 13 Q CA 0.843 56.589 55.803 -0.096 0.000 0.894 13 Q CB -0.198 28.524 28.738 -0.026 0.000 0.965 13 Q HN 0.210 nan 8.270 nan 0.000 0.475 14 L N 1.064 122.261 121.223 -0.043 0.000 2.095 14 L HA -0.011 4.329 4.340 0.000 0.000 0.204 14 L C 1.928 178.735 176.870 -0.105 0.000 1.080 14 L CA 1.636 56.432 54.840 -0.074 0.000 0.759 14 L CB -0.133 41.976 42.059 0.083 0.000 0.914 14 L HN 0.035 nan 8.230 nan 0.000 0.439 15 E N -0.309 119.843 120.200 -0.081 0.000 2.077 15 E HA -0.270 4.080 4.350 0.000 0.000 0.193 15 E C 2.247 178.787 176.600 -0.100 0.000 0.989 15 E CA 1.299 57.649 56.400 -0.084 0.000 0.800 15 E CB -0.243 29.414 29.700 -0.071 0.000 0.746 15 E HN 0.450 nan 8.360 nan 0.000 0.452 16 R N 0.912 121.353 120.500 -0.098 0.000 2.083 16 R HA -0.159 4.181 4.340 0.000 0.000 0.237 16 R C 2.159 178.439 176.300 -0.033 0.000 1.137 16 R CA 1.589 57.648 56.100 -0.069 0.000 0.951 16 R CB -0.269 29.995 30.300 -0.060 0.000 0.851 16 R HN 0.152 nan 8.270 nan 0.000 0.434 17 A N 0.533 123.309 122.820 -0.073 0.000 2.067 17 A HA 0.060 4.380 4.320 0.000 0.000 0.219 17 A C 2.216 179.794 177.584 -0.011 0.000 1.158 17 A CA 1.176 53.237 52.037 0.040 0.000 0.661 17 A CB -0.468 18.474 19.000 -0.096 0.000 0.801 17 A HN 0.554 nan 8.150 nan 0.000 0.452 18 A N -1.032 121.725 122.820 -0.105 0.000 2.216 18 A HA -0.076 4.244 4.320 0.000 0.000 0.214 18 A C 1.903 179.373 177.584 -0.191 0.000 1.160 18 A CA 1.196 53.155 52.037 -0.129 0.000 0.725 18 A CB -0.282 18.642 19.000 -0.127 0.000 0.784 18 A HN 0.464 nan 8.150 nan 0.000 0.472 19 Q N -1.213 118.390 119.800 -0.328 0.000 2.187 19 Q HA -0.074 4.266 4.340 0.000 0.000 0.199 19 Q C 0.481 176.050 176.000 -0.719 0.000 0.957 19 Q CA 1.217 56.672 55.803 -0.580 0.000 0.857 19 Q CB -0.333 27.893 28.738 -0.852 0.000 0.929 19 Q HN 0.885 nan 8.270 nan 0.000 0.453 20 Y N 0.001 120.281 120.300 -0.033 0.000 2.493 20 Y HA 0.292 4.842 4.550 0.000 0.000 0.275 20 Y C 0.872 176.768 175.900 -0.006 0.000 1.183 20 Y CA -0.326 57.764 58.100 -0.015 0.000 1.258 20 Y CB -0.021 38.435 38.460 -0.006 0.000 1.108 20 Y HN 0.038 nan 8.280 nan 0.000 0.521 21 M N -2.547 117.059 119.600 0.011 0.000 2.534 21 M HA 0.466 4.946 4.480 0.000 0.000 0.280 21 M C -2.033 174.269 176.300 0.003 0.000 1.217 21 M CA -0.885 54.436 55.300 0.035 0.000 0.893 21 M CB 1.966 34.604 32.600 0.063 0.000 1.730 21 M HN -0.223 nan 8.290 nan 0.000 0.483 22 D N 1.989 122.413 120.400 0.040 0.000 2.336 22 D HA 0.604 5.244 4.640 0.000 0.000 0.249 22 D C -1.362 174.990 176.300 0.087 0.000 1.213 22 D CA 0.252 54.280 54.000 0.047 0.000 0.870 22 D CB 0.839 41.680 40.800 0.067 0.000 1.076 22 D HN 0.583 nan 8.370 nan 0.000 0.483 23 I N 2.354 122.904 120.570 -0.033 0.000 2.569 23 I HA 0.295 4.465 4.170 0.000 0.000 0.290 23 I C -0.125 175.890 176.117 -0.171 0.000 1.088 23 I CA -0.570 60.586 61.300 -0.239 0.000 1.047 23 I CB 1.410 39.151 38.000 -0.431 0.000 1.237 23 I HN 0.393 nan 8.210 nan 0.000 0.421 24 S N 5.300 120.922 115.700 -0.129 0.000 2.589 24 S HA 0.100 4.570 4.470 0.000 0.000 0.265 24 S C 0.940 175.503 174.600 -0.061 0.000 1.342 24 S CA -0.095 58.093 58.200 -0.020 0.000 1.005 24 S CB 1.315 64.567 63.200 0.086 0.000 0.909 24 S HN 0.825 nan 8.310 nan 0.000 0.555 25 E N 1.089 121.283 120.200 -0.011 0.000 2.028 25 E HA -0.185 4.165 4.350 0.000 0.000 0.190 25 E C 1.710 178.328 176.600 0.030 0.000 0.984 25 E CA 1.384 57.782 56.400 -0.003 0.000 0.800 25 E CB -0.533 29.172 29.700 0.008 0.000 0.758 25 E HN 0.865 nan 8.360 nan 0.000 0.448 26 E N 0.163 120.401 120.200 0.062 0.000 2.132 26 E HA -0.299 4.051 4.350 0.000 0.000 0.218 26 E C 1.974 178.671 176.600 0.161 0.000 1.058 26 E CA 1.939 58.412 56.400 0.122 0.000 0.882 26 E CB -0.240 29.538 29.700 0.130 0.000 0.774 26 E HN 0.367 nan 8.360 nan 0.000 0.467 27 A N 0.728 123.595 122.820 0.078 0.000 1.898 27 A HA -0.126 4.194 4.320 0.000 0.000 0.216 27 A C 2.182 179.784 177.584 0.030 0.000 1.181 27 A CA 0.862 52.915 52.037 0.026 0.000 0.620 27 A CB -0.532 18.357 19.000 -0.185 0.000 0.819 27 A HN 0.239 nan 8.150 nan 0.000 0.442 28 L N -0.570 120.632 121.223 -0.034 0.000 2.046 28 L HA -0.172 4.168 4.340 0.000 0.000 0.208 28 L C 2.656 179.582 176.870 0.093 0.000 1.077 28 L CA 1.541 56.382 54.840 0.003 0.000 0.747 28 L CB -0.383 41.650 42.059 -0.044 0.000 0.896 28 L HN 0.414 nan 8.230 nan 0.000 0.432 29 E N -0.679 119.581 120.200 0.101 0.000 2.077 29 E HA -0.275 4.075 4.350 0.000 0.000 0.193 29 E C 1.803 178.503 176.600 0.167 0.000 0.989 29 E CA 1.064 57.527 56.400 0.106 0.000 0.800 29 E CB -0.451 29.295 29.700 0.077 0.000 0.746 29 E HN 0.587 nan 8.360 nan 0.000 0.452 30 W N 1.514 122.823 121.300 0.015 0.000 2.325 30 W HA -0.149 4.511 4.660 0.000 0.000 0.299 30 W C 1.751 178.286 176.519 0.027 0.000 1.215 30 W CA 1.060 58.405 57.345 -0.001 0.000 1.244 30 W CB -0.409 29.058 29.460 0.011 0.000 1.140 30 W HN 0.040 nan 8.180 nan 0.000 0.523 31 L N 0.400 121.883 121.223 0.434 0.000 2.478 31 L HA -0.104 4.236 4.340 0.000 0.000 0.223 31 L C 2.123 179.289 176.870 0.492 0.000 1.140 31 L CA 0.819 55.938 54.840 0.466 0.000 0.842 31 L CB -0.425 41.925 42.059 0.484 0.000 0.953 31 L HN -0.195 nan 8.230 nan 0.000 0.452 32 K N -0.273 120.305 120.400 0.298 0.000 2.361 32 K HA 0.062 4.382 4.320 0.000 0.000 0.196 32 K C 0.202 176.978 176.600 0.293 0.000 1.039 32 K CA 0.413 56.830 56.287 0.217 0.000 1.001 32 K CB 0.339 32.891 32.500 0.087 0.000 0.795 32 K HN 0.095 nan 8.250 nan 0.000 0.495 33 K N 1.982 122.510 120.400 0.215 0.000 2.263 33 K HA 0.240 4.560 4.320 0.000 0.000 0.272 33 K C -2.729 173.928 176.600 0.095 0.000 1.033 33 K CA -2.162 54.200 56.287 0.126 0.000 0.884 33 K CB 1.391 33.848 32.500 -0.072 0.000 1.107 33 K HN -0.223 nan 8.250 nan 0.000 0.460 34 P HA -0.024 nan 4.420 nan 0.000 0.261 34 P C 0.447 177.694 177.300 -0.089 0.000 1.183 34 P CA 0.510 63.653 63.100 0.072 0.000 0.761 34 P CB 0.502 32.201 31.700 -0.001 0.000 0.785 35 M N 2.044 121.549 119.600 -0.159 0.000 2.254 35 M HA -0.072 4.408 4.480 0.000 0.000 0.265 35 M C 1.035 177.338 176.300 0.005 0.000 1.066 35 M CA 1.522 56.683 55.300 -0.232 0.000 1.123 35 M CB 0.043 32.276 32.600 -0.613 0.000 1.388 35 M HN 0.257 nan 8.290 nan 0.000 0.425 36 R N 0.491 121.085 120.500 0.155 0.000 2.538 36 R HA 0.571 4.911 4.340 0.000 0.000 0.292 36 R C -1.862 174.483 176.300 0.076 0.000 1.008 36 R CA -0.216 55.971 56.100 0.145 0.000 0.896 36 R CB 1.528 31.961 30.300 0.222 0.000 1.187 36 R HN 0.078 nan 8.270 nan 0.000 0.440 37 I N 4.474 125.059 120.570 0.025 0.000 2.436 37 I HA 0.403 4.573 4.170 0.000 0.000 0.289 37 I C -0.847 175.293 176.117 0.037 0.000 1.010 37 I CA -1.068 60.238 61.300 0.009 0.000 1.098 37 I CB 2.203 40.171 38.000 -0.053 0.000 1.266 37 I HN 0.261 nan 8.210 nan 0.000 0.434 38 V N 5.966 125.924 119.914 0.073 0.000 2.487 38 V HA 0.380 4.500 4.120 0.000 0.000 0.298 38 V C -0.385 175.800 176.094 0.152 0.000 1.028 38 V CA -0.534 61.815 62.300 0.080 0.000 0.860 38 V CB 2.039 33.890 31.823 0.047 0.000 0.991 38 V HN 0.707 nan 8.190 nan 0.000 0.427 39 E N 4.089 124.373 120.200 0.140 0.000 2.199 39 E HA 0.700 5.050 4.350 0.000 0.000 0.265 39 E C -1.468 175.158 176.600 0.044 0.000 0.882 39 E CA -0.477 56.022 56.400 0.165 0.000 0.759 39 E CB 2.110 31.966 29.700 0.260 0.000 1.148 39 E HN 0.587 nan 8.360 nan 0.000 0.412 40 V N 0.718 120.622 119.914 -0.017 0.000 2.962 40 V HA 0.553 4.673 4.120 0.000 0.000 0.313 40 V C -0.083 175.987 176.094 -0.040 0.000 1.099 40 V CA -1.063 61.222 62.300 -0.025 0.000 0.971 40 V CB 1.771 33.572 31.823 -0.036 0.000 1.028 40 V HN 0.552 nan 8.190 nan 0.000 0.430 41 S N 1.768 117.454 115.700 -0.023 0.000 2.505 41 S HA 0.475 4.945 4.470 0.000 0.000 0.276 41 S C -0.075 174.532 174.600 0.012 0.000 1.274 41 S CA -0.356 57.835 58.200 -0.016 0.000 1.053 41 S CB 1.052 64.241 63.200 -0.019 0.000 0.919 41 S HN 0.727 nan 8.310 nan 0.000 0.490 42 V N 7.052 126.996 119.914 0.050 0.000 2.239 42 V HA 0.297 4.417 4.120 0.000 0.000 0.267 42 V C -2.161 174.011 176.094 0.130 0.000 1.056 42 V CA -1.780 60.577 62.300 0.095 0.000 0.830 42 V CB 0.611 32.514 31.823 0.135 0.000 1.090 42 V HN 0.642 nan 8.190 nan 0.000 0.459 43 P HA 0.489 nan 4.420 nan 0.000 0.293 43 P C -0.564 176.783 177.300 0.078 0.000 1.300 43 P CA -0.192 62.947 63.100 0.066 0.000 0.792 43 P CB 1.748 33.458 31.700 0.017 0.000 0.925 44 I N -0.864 119.775 120.570 0.115 0.000 2.846 44 I HA 0.610 4.780 4.170 0.000 0.000 0.307 44 I C -0.341 175.805 176.117 0.048 0.000 1.053 44 I CA -1.487 59.856 61.300 0.072 0.000 1.050 44 I CB 2.656 40.699 38.000 0.071 0.000 1.239 44 I HN 0.174 nan 8.210 nan 0.000 0.439 45 E N 5.152 125.363 120.200 0.018 0.000 2.081 45 E HA 0.275 4.625 4.350 0.000 0.000 0.281 45 E C -0.420 176.185 176.600 0.007 0.000 0.986 45 E CA -0.847 55.557 56.400 0.005 0.000 0.796 45 E CB 0.805 30.501 29.700 -0.008 0.000 1.085 45 E HN 0.506 nan 8.360 nan 0.000 0.398 46 M N 3.015 122.625 119.600 0.015 0.000 2.198 46 M HA -0.048 4.432 4.480 0.000 0.000 0.292 46 M C 0.772 177.071 176.300 -0.001 0.000 1.150 46 M CA 0.475 55.784 55.300 0.016 0.000 1.168 46 M CB 0.046 32.657 32.600 0.018 0.000 1.388 46 M HN 0.603 nan 8.290 nan 0.000 0.447 47 D N 0.934 121.332 120.400 -0.003 0.000 2.178 47 D HA -0.151 4.489 4.640 0.000 0.000 0.201 47 D C 1.038 177.334 176.300 -0.007 0.000 0.980 47 D CA 1.388 55.383 54.000 -0.009 0.000 0.842 47 D CB -0.251 40.545 40.800 -0.007 0.000 0.948 47 D HN 0.646 nan 8.370 nan 0.000 0.472 48 D N -1.235 119.162 120.400 -0.005 0.000 2.352 48 D HA 0.114 4.754 4.640 0.000 0.000 0.232 48 D C 1.485 177.780 176.300 -0.009 0.000 1.055 48 D CA 0.809 54.806 54.000 -0.006 0.000 0.891 48 D CB -0.078 40.719 40.800 -0.006 0.000 0.897 48 D HN 0.190 nan 8.370 nan 0.000 0.529 49 G N -0.139 108.656 108.800 -0.009 0.000 2.217 49 G HA2 -0.292 3.668 3.960 0.000 0.000 0.246 49 G HA3 -0.292 3.668 3.960 0.000 0.000 0.246 49 G C 0.434 175.326 174.900 -0.013 0.000 0.990 49 G CA 0.304 45.397 45.100 -0.012 0.000 0.627 49 G HN 0.892 nan 8.290 nan 0.000 0.522 50 S N -0.309 115.383 115.700 -0.014 0.000 2.584 50 S HA 0.657 5.127 4.470 0.000 0.000 0.273 50 S C 0.124 174.712 174.600 -0.021 0.000 1.311 50 S CA -0.221 57.966 58.200 -0.021 0.000 1.034 50 S CB 2.369 65.553 63.200 -0.026 0.000 0.939 50 S HN 0.987 nan 8.310 nan 0.000 0.513 51 V N 3.433 123.329 119.914 -0.030 0.000 2.364 51 V HA 0.419 4.539 4.120 0.000 0.000 0.272 51 V C 0.312 176.368 176.094 -0.063 0.000 1.036 51 V CA -0.488 61.793 62.300 -0.031 0.000 0.880 51 V CB 0.872 32.678 31.823 -0.028 0.000 0.991 51 V HN 0.950 nan 8.190 nan 0.000 0.460 52 K N 4.104 124.461 120.400 -0.072 0.000 2.182 52 K HA 0.650 4.970 4.320 0.000 0.000 0.262 52 K C -1.205 175.258 176.600 -0.227 0.000 0.957 52 K CA -0.582 55.580 56.287 -0.208 0.000 0.842 52 K CB 1.897 34.209 32.500 -0.312 0.000 1.099 52 K HN 0.453 nan 8.250 nan 0.000 0.438 53 V N 5.930 125.670 119.914 -0.290 0.000 2.348 53 V HA 0.318 4.438 4.120 0.000 0.000 0.270 53 V C -0.506 175.389 176.094 -0.331 0.000 1.037 53 V CA -0.526 61.659 62.300 -0.192 0.000 0.872 53 V CB 0.076 31.827 31.823 -0.121 0.000 1.002 53 V HN 0.606 nan 8.190 nan 0.000 0.464 54 F N 1.911 121.804 119.950 -0.094 0.000 2.380 54 F HA 0.492 5.019 4.527 0.000 0.000 0.321 54 F C 1.037 176.755 175.800 -0.137 0.000 1.103 54 F CA -0.409 57.517 58.000 -0.122 0.000 1.067 54 F CB 1.255 40.157 39.000 -0.163 0.000 1.265 54 F HN 0.266 nan 8.300 nan 0.000 0.517 55 T N 1.126 115.690 114.554 0.017 0.000 2.749 55 T HA 0.589 4.939 4.350 0.000 0.000 0.287 55 T C 0.115 174.590 174.700 -0.376 0.000 0.970 55 T CA -0.642 61.345 62.100 -0.190 0.000 0.980 55 T CB 0.888 69.618 68.868 -0.230 0.000 0.924 55 T HN 0.816 nan 8.240 nan 0.000 0.456 56 G N 1.947 110.528 108.800 -0.366 0.000 2.481 56 G HA2 0.746 4.707 3.960 0.000 0.000 0.315 56 G HA3 0.746 4.707 3.960 0.000 0.000 0.315 56 G C -1.534 173.140 174.900 -0.378 0.000 1.231 56 G CA -0.652 44.290 45.100 -0.264 0.000 0.968 56 G HN 0.519 nan 8.290 nan 0.000 0.482 57 F N -0.386 119.715 119.950 0.253 0.000 2.551 57 F HA 0.764 5.291 4.527 0.000 0.000 0.316 57 F C 0.173 176.099 175.800 0.211 0.000 1.089 57 F CA -1.097 57.000 58.000 0.162 0.000 0.915 57 F CB 2.932 41.989 39.000 0.095 0.000 1.186 57 F HN 0.411 nan 8.300 nan 0.000 0.456 58 R N 1.494 122.180 120.500 0.309 0.000 2.502 58 R HA 0.749 5.089 4.340 0.000 0.000 0.298 58 R C -2.255 174.122 176.300 0.129 0.000 1.018 58 R CA -0.458 55.772 56.100 0.217 0.000 0.899 58 R CB 1.532 31.921 30.300 0.149 0.000 1.181 58 R HN 0.521 nan 8.270 nan 0.000 0.444 59 V N 5.305 125.275 119.914 0.093 0.000 2.398 59 V HA 0.397 4.517 4.120 0.000 0.000 0.286 59 V C -0.302 175.834 176.094 0.070 0.000 1.026 59 V CA -0.621 61.707 62.300 0.047 0.000 0.868 59 V CB 1.670 33.478 31.823 -0.025 0.000 0.982 59 V HN 0.706 nan 8.190 nan 0.000 0.443 60 Q N 3.338 123.209 119.800 0.118 0.000 2.466 60 Q HA 0.288 4.628 4.340 0.000 0.000 0.242 60 Q C 0.894 177.037 176.000 0.239 0.000 1.046 60 Q CA -0.389 55.538 55.803 0.207 0.000 0.841 60 Q CB 0.950 29.854 28.738 0.277 0.000 1.193 60 Q HN 0.836 nan 8.270 nan 0.000 0.508 61 H N 2.976 122.082 119.070 0.060 0.000 2.299 61 H HA -0.011 4.545 4.556 0.000 0.000 0.302 61 H C -0.107 175.217 175.328 -0.006 0.000 1.078 61 H CA 1.144 57.182 56.048 -0.017 0.000 1.323 61 H CB 0.798 30.486 29.762 -0.123 0.000 1.381 61 H HN 0.481 nan 8.280 nan 0.000 0.498 62 N N -0.904 117.681 118.700 -0.191 0.000 2.493 62 N HA -0.019 4.721 4.740 0.000 0.000 0.279 62 N C -1.662 173.913 175.510 0.109 0.000 1.082 62 N CA -0.407 52.502 53.050 -0.234 0.000 0.963 62 N CB 0.787 39.081 38.487 -0.321 0.000 1.627 62 N HN 0.406 nan 8.380 nan 0.000 0.499 63 W N 3.609 125.060 121.300 0.251 0.000 1.903 63 W HA 0.656 5.316 4.660 0.000 0.000 0.349 63 W C 0.510 177.169 176.519 0.233 0.000 0.814 63 W CA -0.599 56.876 57.345 0.217 0.000 2.728 63 W CB -0.417 29.159 29.460 0.192 0.000 1.621 63 W HN 0.542 nan 8.180 nan 0.000 0.644 64 A N 1.416 124.289 122.820 0.088 0.000 1.929 64 A HA -0.039 4.281 4.320 0.000 0.000 0.216 64 A C 2.107 179.621 177.584 -0.117 0.000 1.176 64 A CA 0.946 52.787 52.037 -0.328 0.000 0.628 64 A CB -0.174 18.543 19.000 -0.471 0.000 0.816 64 A HN 0.344 nan 8.150 nan 0.000 0.444 65 R N -0.735 119.782 120.500 0.028 0.000 2.310 65 R HA 0.270 4.610 4.340 0.000 0.000 0.202 65 R C 0.785 177.161 176.300 0.127 0.000 0.933 65 R CA 0.776 56.909 56.100 0.055 0.000 1.054 65 R CB -0.012 30.326 30.300 0.064 0.000 0.985 65 R HN 0.605 nan 8.270 nan 0.000 0.489 66 G N 0.849 109.774 108.800 0.209 0.000 2.346 66 G HA2 -0.078 3.882 3.960 0.000 0.000 0.294 66 G HA3 -0.078 3.882 3.960 0.000 0.000 0.294 66 G C -3.064 171.991 174.900 0.260 0.000 1.294 66 G CA -1.280 43.976 45.100 0.260 0.000 0.962 66 G HN -0.196 nan 8.290 nan 0.000 0.508 67 P HA 0.266 nan 4.420 nan 0.000 0.265 67 P C 0.701 177.933 177.300 -0.113 0.000 1.187 67 P CA 0.556 63.654 63.100 -0.003 0.000 0.766 67 P CB 0.288 31.891 31.700 -0.162 0.000 0.820 68 T N -0.108 114.386 114.554 -0.099 0.000 2.913 68 T HA 0.511 4.861 4.350 0.000 0.000 0.297 68 T C -0.190 174.309 174.700 -0.336 0.000 1.029 68 T CA -0.520 61.514 62.100 -0.110 0.000 1.104 68 T CB 0.806 69.691 68.868 0.029 0.000 0.964 68 T HN 0.194 nan 8.240 nan 0.000 0.532 69 K N 0.298 120.488 120.400 -0.349 0.000 2.427 69 K HA 0.719 5.039 4.320 0.000 0.000 0.252 69 K C -0.493 175.972 176.600 -0.225 0.000 0.931 69 K CA -0.161 55.848 56.287 -0.462 0.000 0.793 69 K CB 1.714 33.730 32.500 -0.806 0.000 1.211 69 K HN 1.239 nan 8.250 nan 0.000 0.426 70 G N 0.990 109.684 108.800 -0.175 0.000 2.384 70 G HA2 0.413 4.373 3.960 0.000 0.000 0.300 70 G HA3 0.413 4.373 3.960 0.000 0.000 0.300 70 G C -0.619 174.241 174.900 -0.066 0.000 1.582 70 G CA -0.409 44.635 45.100 -0.093 0.000 0.875 70 G HN 0.739 nan 8.290 nan 0.000 0.628 71 G N -1.113 107.656 108.800 -0.052 0.000 2.651 71 G HA2 0.544 4.504 3.960 0.000 0.000 0.260 71 G HA3 0.544 4.504 3.960 0.000 0.000 0.260 71 G C -0.140 174.736 174.900 -0.040 0.000 1.216 71 G CA -0.520 44.546 45.100 -0.057 0.000 0.913 71 G HN 0.762 nan 8.290 nan 0.000 0.535 72 I N 0.337 120.857 120.570 -0.082 0.000 2.406 72 I HA 0.355 4.525 4.170 0.000 0.000 0.290 72 I C -0.088 175.962 176.117 -0.111 0.000 0.999 72 I CA -0.640 60.606 61.300 -0.089 0.000 1.124 72 I CB 1.885 39.770 38.000 -0.190 0.000 1.289 72 I HN 0.401 nan 8.210 nan 0.000 0.441 73 R N 5.133 125.642 120.500 0.015 0.000 2.393 73 R HA 0.449 4.789 4.340 0.000 0.000 0.310 73 R C -1.781 174.703 176.300 0.306 0.000 0.968 73 R CA -0.743 55.392 56.100 0.058 0.000 0.867 73 R CB 1.625 31.943 30.300 0.031 0.000 1.124 73 R HN 0.414 nan 8.270 nan 0.000 0.450 74 W N 3.714 125.027 121.300 0.022 0.000 2.278 74 W HA 0.371 5.031 4.660 0.000 0.000 0.317 74 W C 0.127 176.783 176.519 0.229 0.000 1.030 74 W CA -0.306 57.090 57.345 0.086 0.000 1.334 74 W CB 0.248 29.759 29.460 0.085 0.000 1.215 74 W HN 0.499 nan 8.180 nan 0.000 0.405 75 H N 4.613 123.817 119.070 0.224 0.000 3.087 75 H HA 0.104 4.660 4.556 0.000 0.000 0.348 75 H C -1.830 173.583 175.328 0.141 0.000 1.092 75 H CA -1.414 54.731 56.048 0.162 0.000 1.285 75 H CB 3.317 33.097 29.762 0.030 0.000 1.875 75 H HN -0.016 nan 8.280 nan 0.000 0.512 76 P HA -0.031 nan 4.420 nan 0.000 0.221 76 P C 0.662 177.917 177.300 -0.074 0.000 1.150 76 P CA 0.831 63.856 63.100 -0.124 0.000 0.800 76 P CB 0.261 31.885 31.700 -0.127 0.000 0.787 77 A N -0.348 122.385 122.820 -0.145 0.000 2.476 77 A HA 0.148 4.468 4.320 0.000 0.000 0.263 77 A C 0.631 178.334 177.584 0.198 0.000 1.342 77 A CA -0.115 51.963 52.037 0.068 0.000 0.926 77 A CB -0.916 18.153 19.000 0.115 0.000 1.019 77 A HN -0.012 nan 8.150 nan 0.000 0.515 78 E N 1.376 121.705 120.200 0.215 0.000 2.338 78 E HA 0.431 4.781 4.350 0.000 0.000 0.272 78 E C 0.361 177.104 176.600 0.238 0.000 1.029 78 E CA 0.441 56.995 56.400 0.256 0.000 0.872 78 E CB 0.624 30.508 29.700 0.307 0.000 1.015 78 E HN 0.444 nan 8.360 nan 0.000 0.417 79 T N 1.286 115.916 114.554 0.127 0.000 2.901 79 T HA 0.265 4.615 4.350 0.000 0.000 0.293 79 T C 0.572 175.060 174.700 -0.353 0.000 1.084 79 T CA -0.894 61.196 62.100 -0.015 0.000 1.008 79 T CB 0.847 69.704 68.868 -0.019 0.000 1.170 79 T HN 0.323 nan 8.240 nan 0.000 0.509 80 L N 1.626 122.408 121.223 -0.735 0.000 2.191 80 L HA 0.086 4.426 4.340 0.000 0.000 0.212 80 L C 2.610 179.197 176.870 -0.473 0.000 1.103 80 L CA 2.153 56.421 54.840 -0.954 0.000 0.769 80 L CB -1.136 40.395 42.059 -0.880 0.000 0.908 80 L HN 0.923 nan 8.230 nan 0.000 0.438 81 S N -1.556 113.973 115.700 -0.285 0.000 2.356 81 S HA -0.195 4.275 4.470 0.000 0.000 0.223 81 S C 1.899 176.433 174.600 -0.110 0.000 1.032 81 S CA 1.857 59.961 58.200 -0.160 0.000 1.005 81 S CB -0.389 62.787 63.200 -0.040 0.000 0.867 81 S HN 0.659 nan 8.310 nan 0.000 0.449 82 T N 1.906 116.414 114.554 -0.077 0.000 2.652 82 T HA -0.097 4.253 4.350 0.000 0.000 0.267 82 T C 1.875 176.539 174.700 -0.061 0.000 1.039 82 T CA 1.695 63.784 62.100 -0.017 0.000 1.153 82 T CB -0.801 68.084 68.868 0.029 0.000 0.863 82 T HN 0.278 nan 8.240 nan 0.000 0.428 83 V N 1.661 121.508 119.914 -0.113 0.000 2.332 83 V HA -0.234 3.886 4.120 0.000 0.000 0.248 83 V C 2.488 178.489 176.094 -0.155 0.000 1.055 83 V CA 1.726 63.966 62.300 -0.099 0.000 1.038 83 V CB -0.585 31.173 31.823 -0.109 0.000 0.651 83 V HN 0.485 nan 8.190 nan 0.000 0.450 84 K N 0.167 120.408 120.400 -0.265 0.000 2.057 84 K HA -0.106 4.214 4.320 0.000 0.000 0.207 84 K C 2.345 178.796 176.600 -0.248 0.000 1.049 84 K CA 1.439 57.511 56.287 -0.359 0.000 0.931 84 K CB -0.463 31.581 32.500 -0.761 0.000 0.714 84 K HN 0.474 nan 8.250 nan 0.000 0.440 85 A N 1.419 124.123 122.820 -0.194 0.000 1.883 85 A HA -0.153 4.167 4.320 0.000 0.000 0.217 85 A C 2.126 179.268 177.584 -0.738 0.000 1.186 85 A CA 1.389 53.132 52.037 -0.492 0.000 0.624 85 A CB -0.688 18.037 19.000 -0.460 0.000 0.822 85 A HN 0.166 nan 8.150 nan 0.000 0.444 86 L N -0.976 120.104 121.223 -0.237 0.000 2.156 86 L HA -0.119 4.221 4.340 0.000 0.000 0.208 86 L C 3.030 179.859 176.870 -0.069 0.000 1.095 86 L CA 0.827 55.690 54.840 0.039 0.000 0.770 86 L CB -0.480 41.645 42.059 0.110 0.000 0.914 86 L HN 0.435 nan 8.230 nan 0.000 0.439 87 A N -0.394 122.337 122.820 -0.148 0.000 1.969 87 A HA -0.170 4.150 4.320 0.000 0.000 0.218 87 A C 2.353 179.751 177.584 -0.310 0.000 1.169 87 A CA 2.172 54.123 52.037 -0.144 0.000 0.635 87 A CB -0.744 18.207 19.000 -0.082 0.000 0.810 87 A HN 0.361 nan 8.150 nan 0.000 0.445 88 T N -1.428 112.799 114.554 -0.545 0.000 2.777 88 T HA -0.136 4.214 4.350 0.000 0.000 0.266 88 T C 1.582 175.677 174.700 -1.008 0.000 1.040 88 T CA 1.075 62.552 62.100 -1.037 0.000 1.141 88 T CB -0.272 68.068 68.868 -0.880 0.000 0.868 88 T HN 0.682 nan 8.240 nan 0.000 0.444 89 W N 0.989 122.012 121.300 -0.462 0.000 2.402 89 W HA 0.122 4.782 4.660 0.000 0.000 0.286 89 W C 2.163 178.443 176.519 -0.399 0.000 1.221 89 W CA 0.234 57.349 57.345 -0.383 0.000 1.257 89 W CB -0.890 28.485 29.460 -0.142 0.000 1.120 89 W HN 0.230 nan 8.180 nan 0.000 0.551 90 M N 0.031 119.558 119.600 -0.122 0.000 2.117 90 M HA -0.145 4.335 4.480 0.000 0.000 0.262 90 M C 1.867 178.082 176.300 -0.143 0.000 1.065 90 M CA 1.692 56.941 55.300 -0.086 0.000 1.114 90 M CB -1.819 30.741 32.600 -0.067 0.000 1.361 90 M HN -0.130 nan 8.290 nan 0.000 0.408 91 T N -0.529 113.830 114.554 -0.324 0.000 2.737 91 T HA -0.223 4.127 4.350 0.000 0.000 0.269 91 T C 1.535 176.153 174.700 -0.138 0.000 1.040 91 T CA 1.723 63.644 62.100 -0.299 0.000 1.142 91 T CB -0.452 68.129 68.868 -0.478 0.000 0.861 91 T HN 0.569 nan 8.240 nan 0.000 0.456 92 W N 1.036 122.352 121.300 0.028 0.000 2.453 92 W HA 0.172 4.832 4.660 0.000 0.000 0.289 92 W C 2.597 179.165 176.519 0.082 0.000 1.215 92 W CA -0.089 57.234 57.345 -0.035 0.000 1.297 92 W CB -0.083 29.153 29.460 -0.374 0.000 1.113 92 W HN 0.111 nan 8.180 nan 0.000 0.551 93 K N 1.318 121.853 120.400 0.225 0.000 2.026 93 K HA -0.204 4.116 4.320 0.000 0.000 0.208 93 K C 1.973 178.697 176.600 0.207 0.000 1.048 93 K CA 2.186 58.660 56.287 0.311 0.000 0.929 93 K CB -0.413 32.198 32.500 0.185 0.000 0.713 93 K HN 0.121 nan 8.250 nan 0.000 0.439 94 V N -1.689 118.304 119.914 0.132 0.000 2.626 94 V HA -0.022 4.098 4.120 0.000 0.000 0.252 94 V C 2.045 178.186 176.094 0.078 0.000 1.067 94 V CA 1.621 63.975 62.300 0.091 0.000 1.081 94 V CB -0.713 31.182 31.823 0.120 0.000 0.686 94 V HN 0.308 nan 8.190 nan 0.000 0.468 95 A N -0.229 122.679 122.820 0.147 0.000 2.016 95 A HA 0.067 4.387 4.320 0.000 0.000 0.217 95 A C 2.323 179.988 177.584 0.136 0.000 1.162 95 A CA 1.440 53.567 52.037 0.149 0.000 0.662 95 A CB -0.441 18.701 19.000 0.237 0.000 0.812 95 A HN 0.442 nan 8.150 nan 0.000 0.450 96 V N 0.499 120.516 119.914 0.173 0.000 2.667 96 V HA -0.122 3.998 4.120 0.000 0.000 0.252 96 V C 1.796 177.902 176.094 0.019 0.000 1.065 96 V CA 2.033 64.389 62.300 0.093 0.000 1.083 96 V CB 0.211 32.068 31.823 0.056 0.000 0.692 96 V HN 0.544 nan 8.190 nan 0.000 0.468 97 V N -2.576 117.350 119.914 0.020 0.000 3.177 97 V HA 0.403 4.523 4.120 0.000 0.000 0.342 97 V C 0.805 176.877 176.094 -0.036 0.000 1.379 97 V CA 0.361 62.656 62.300 -0.008 0.000 1.191 97 V CB -0.263 31.550 31.823 -0.016 0.000 1.167 97 V HN 0.533 nan 8.190 nan 0.000 0.471 98 D N 0.718 121.103 120.400 -0.026 0.000 2.811 98 D HA -0.199 4.441 4.640 0.000 0.000 0.231 98 D C -0.004 176.200 176.300 -0.160 0.000 1.157 98 D CA 0.776 54.746 54.000 -0.050 0.000 0.716 98 D CB -1.241 39.551 40.800 -0.013 0.000 1.077 98 D HN 0.646 nan 8.370 nan 0.000 0.428 99 L N -0.083 120.981 121.223 -0.265 0.000 2.426 99 L HA 0.299 4.639 4.340 0.000 0.000 0.271 99 L C -1.257 175.360 176.870 -0.422 0.000 1.169 99 L CA -1.459 53.023 54.840 -0.597 0.000 0.836 99 L CB 0.223 41.865 42.059 -0.695 0.000 1.112 99 L HN -0.054 nan 8.230 nan 0.000 0.465 100 P HA 0.129 nan 4.420 nan 0.000 0.218 100 P C -1.248 176.016 177.300 -0.059 0.000 1.793 100 P CA 0.123 63.117 63.100 -0.177 0.000 0.941 100 P CB -0.203 31.476 31.700 -0.035 0.000 1.919 101 Y N -0.260 119.963 120.300 -0.129 0.000 2.499 101 Y HA 0.620 5.170 4.550 0.000 0.000 0.347 101 Y C 1.212 177.095 175.900 -0.029 0.000 0.987 101 Y CA -1.471 56.553 58.100 -0.127 0.000 1.044 101 Y CB 1.551 39.893 38.460 -0.197 0.000 1.245 101 Y HN 0.055 nan 8.280 nan 0.000 0.461 102 G N -0.092 108.806 108.800 0.164 0.000 2.532 102 G HA2 0.512 4.472 3.960 0.000 0.000 0.291 102 G HA3 0.512 4.472 3.960 0.000 0.000 0.291 102 G C -0.371 174.558 174.900 0.047 0.000 1.349 102 G CA -0.533 44.646 45.100 0.132 0.000 1.038 102 G HN 0.817 nan 8.290 nan 0.000 0.518 103 G N -1.622 107.206 108.800 0.045 0.000 2.372 103 G HA2 0.651 4.611 3.960 0.000 0.000 0.323 103 G HA3 0.651 4.611 3.960 0.000 0.000 0.323 103 G C -0.296 174.612 174.900 0.014 0.000 1.152 103 G CA 0.154 45.245 45.100 -0.016 0.000 0.906 103 G HN 1.005 nan 8.290 nan 0.000 0.460 104 G N 0.088 108.869 108.800 -0.032 0.000 2.690 104 G HA2 0.668 4.628 3.960 0.000 0.000 0.291 104 G HA3 0.668 4.628 3.960 0.000 0.000 0.291 104 G C -1.582 173.305 174.900 -0.021 0.000 1.403 104 G CA -0.730 44.363 45.100 -0.012 0.000 0.864 104 G HN 0.697 nan 8.290 nan 0.000 0.480 105 K N -1.165 119.241 120.400 0.008 0.000 2.597 105 K HA 0.701 5.021 4.320 0.000 0.000 0.282 105 K C -0.384 176.266 176.600 0.084 0.000 0.975 105 K CA -0.050 56.252 56.287 0.024 0.000 0.867 105 K CB 2.114 34.619 32.500 0.007 0.000 1.465 105 K HN 1.162 nan 8.250 nan 0.000 0.417 106 G N -0.360 108.507 108.800 0.112 0.000 2.694 106 G HA2 0.784 4.744 3.960 0.000 0.000 0.290 106 G HA3 0.784 4.744 3.960 0.000 0.000 0.290 106 G C -1.142 173.875 174.900 0.194 0.000 1.386 106 G CA -0.535 44.693 45.100 0.213 0.000 0.872 106 G HN 0.746 nan 8.290 nan 0.000 0.475 107 G N -1.107 107.861 108.800 0.280 0.000 2.632 107 G HA2 0.562 4.522 3.960 0.000 0.000 0.292 107 G HA3 0.562 4.522 3.960 0.000 0.000 0.292 107 G C -1.599 173.412 174.900 0.186 0.000 1.465 107 G CA -0.647 44.612 45.100 0.264 0.000 0.824 107 G HN 0.668 nan 8.290 nan 0.000 0.509 108 I N 0.854 121.496 120.570 0.120 0.000 2.498 108 I HA 0.363 4.533 4.170 0.000 0.000 0.290 108 I C -0.326 175.782 176.117 -0.015 0.000 1.032 108 I CA -0.864 60.389 61.300 -0.078 0.000 1.073 108 I CB 2.424 40.204 38.000 -0.367 0.000 1.251 108 I HN 0.280 nan 8.210 nan 0.000 0.426 109 I N 6.816 127.383 120.570 -0.005 0.000 2.311 109 I HA 0.232 4.402 4.170 0.000 0.000 0.297 109 I C -0.310 175.856 176.117 0.081 0.000 1.131 109 I CA 0.110 61.458 61.300 0.079 0.000 1.289 109 I CB 0.395 38.460 38.000 0.107 0.000 1.446 109 I HN 0.250 nan 8.210 nan 0.000 0.524 110 V N 6.004 125.928 119.914 0.016 0.000 3.000 110 V HA 0.391 4.511 4.120 0.000 0.000 0.300 110 V C -1.228 174.864 176.094 -0.002 0.000 1.251 110 V CA -0.697 61.577 62.300 -0.045 0.000 0.972 110 V CB 2.579 34.094 31.823 -0.513 0.000 1.065 110 V HN 0.668 nan 8.190 nan 0.000 0.431 111 N N 6.425 125.139 118.700 0.024 0.000 2.462 111 N HA 0.533 5.273 4.740 0.000 0.000 0.242 111 N C -2.027 173.486 175.510 0.005 0.000 1.010 111 N CA -2.089 50.984 53.050 0.038 0.000 0.939 111 N CB 2.007 40.514 38.487 0.032 0.000 1.127 111 N HN 0.403 nan 8.380 nan 0.000 0.509 112 P HA -0.052 nan 4.420 nan 0.000 0.224 112 P C 0.624 177.923 177.300 -0.002 0.000 1.157 112 P CA 0.978 64.100 63.100 0.037 0.000 0.799 112 P CB 0.155 32.001 31.700 0.243 0.000 0.809 113 K N -0.835 119.533 120.400 -0.053 0.000 2.525 113 K HA 0.050 4.370 4.320 0.000 0.000 0.192 113 K C 1.547 178.135 176.600 -0.020 0.000 1.029 113 K CA 1.106 57.360 56.287 -0.055 0.000 1.029 113 K CB -0.697 31.743 32.500 -0.100 0.000 0.814 113 K HN 0.094 nan 8.250 nan 0.000 0.503 114 E N 1.696 121.891 120.200 -0.008 0.000 2.442 114 E HA 0.157 4.507 4.350 0.000 0.000 0.195 114 E C 0.726 177.331 176.600 0.007 0.000 1.030 114 E CA 0.192 56.596 56.400 0.006 0.000 0.869 114 E CB -0.097 29.616 29.700 0.022 0.000 0.857 114 E HN 0.271 nan 8.360 nan 0.000 0.505 115 L N 2.129 123.349 121.223 -0.005 0.000 2.289 115 L HA 0.379 4.719 4.340 0.000 0.000 0.285 115 L C 0.813 177.692 176.870 0.015 0.000 1.049 115 L CA -0.798 54.035 54.840 -0.011 0.000 0.804 115 L CB 1.778 43.797 42.059 -0.066 0.000 1.195 115 L HN 0.335 nan 8.230 nan 0.000 0.428 116 S N 1.439 117.147 115.700 0.012 0.000 2.600 116 S HA 0.087 4.557 4.470 0.000 0.000 0.265 116 S C 0.976 175.601 174.600 0.042 0.000 1.325 116 S CA -0.654 57.561 58.200 0.024 0.000 1.002 116 S CB 1.302 64.508 63.200 0.010 0.000 0.921 116 S HN 0.571 nan 8.310 nan 0.000 0.554 117 E N 1.170 121.414 120.200 0.072 0.000 2.086 117 E HA -0.214 4.136 4.350 0.000 0.000 0.200 117 E C 2.060 178.648 176.600 -0.019 0.000 1.012 117 E CA 1.512 57.988 56.400 0.127 0.000 0.812 117 E CB -0.432 29.365 29.700 0.162 0.000 0.743 117 E HN 0.783 nan 8.360 nan 0.000 0.453 118 R N 0.692 121.159 120.500 -0.055 0.000 2.092 118 R HA -0.117 4.223 4.340 0.000 0.000 0.231 118 R C 2.024 178.232 176.300 -0.154 0.000 1.119 118 R CA 1.414 57.432 56.100 -0.137 0.000 0.970 118 R CB 0.055 30.306 30.300 -0.081 0.000 0.864 118 R HN 0.184 nan 8.270 nan 0.000 0.440 119 E N -0.144 120.003 120.200 -0.088 0.000 2.152 119 E HA -0.165 4.186 4.350 0.000 0.000 0.192 119 E C 2.082 178.615 176.600 -0.112 0.000 0.983 119 E CA 0.788 57.137 56.400 -0.085 0.000 0.818 119 E CB 0.094 29.766 29.700 -0.047 0.000 0.758 119 E HN 0.430 nan 8.360 nan 0.000 0.467 120 Q N 0.640 120.405 119.800 -0.058 0.000 2.084 120 Q HA -0.219 4.121 4.340 0.000 0.000 0.202 120 Q C 2.121 178.134 176.000 0.022 0.000 0.978 120 Q CA 1.253 57.107 55.803 0.084 0.000 0.844 120 Q CB -0.022 28.914 28.738 0.331 0.000 0.898 120 Q HN 0.306 nan 8.270 nan 0.000 0.426 121 E N 0.799 120.713 120.200 -0.477 0.000 2.072 121 E HA -0.197 4.153 4.350 0.000 0.000 0.191 121 E C 1.953 178.368 176.600 -0.308 0.000 0.985 121 E CA 0.705 56.602 56.400 -0.839 0.000 0.801 121 E CB 0.160 28.996 29.700 -1.440 0.000 0.750 121 E HN 0.191 nan 8.360 nan 0.000 0.452 122 R N 0.111 120.478 120.500 -0.222 0.000 2.096 122 R HA -0.194 4.147 4.340 0.000 0.000 0.240 122 R C 2.517 178.793 176.300 -0.039 0.000 1.139 122 R CA 1.570 57.606 56.100 -0.106 0.000 0.952 122 R CB -0.486 29.762 30.300 -0.088 0.000 0.854 122 R HN 0.207 nan 8.270 nan 0.000 0.436 123 L N 0.494 121.674 121.223 -0.072 0.000 2.017 123 L HA -0.133 4.207 4.340 0.000 0.000 0.208 123 L C 2.248 179.197 176.870 0.131 0.000 1.073 123 L CA 2.113 56.883 54.840 -0.117 0.000 0.745 123 L CB -0.743 41.020 42.059 -0.493 0.000 0.894 123 L HN 0.201 nan 8.230 nan 0.000 0.432 124 A N -0.412 122.617 122.820 0.349 0.000 1.883 124 A HA -0.257 4.063 4.320 0.000 0.000 0.217 124 A C 2.413 180.212 177.584 0.358 0.000 1.186 124 A CA 2.105 54.449 52.037 0.512 0.000 0.624 124 A CB -0.588 18.755 19.000 0.572 0.000 0.822 124 A HN 0.532 nan 8.150 nan 0.000 0.444 125 R N -0.785 119.842 120.500 0.212 0.000 2.090 125 R HA 0.031 4.371 4.340 0.000 0.000 0.228 125 R C 2.423 178.809 176.300 0.143 0.000 1.110 125 R CA 1.046 57.241 56.100 0.157 0.000 0.973 125 R CB -0.386 29.951 30.300 0.061 0.000 0.869 125 R HN 0.507 nan 8.270 nan 0.000 0.440 126 A N 0.345 123.240 122.820 0.125 0.000 1.968 126 A HA -0.178 4.142 4.320 0.000 0.000 0.217 126 A C 1.878 179.550 177.584 0.147 0.000 1.169 126 A CA 0.818 52.917 52.037 0.102 0.000 0.638 126 A CB -0.552 18.492 19.000 0.073 0.000 0.812 126 A HN 0.377 nan 8.150 nan 0.000 0.446 127 Y N 0.930 121.288 120.300 0.096 0.000 2.070 127 Y HA -0.243 4.307 4.550 0.000 0.000 0.280 127 Y C 2.082 178.068 175.900 0.144 0.000 1.148 127 Y CA 1.849 60.022 58.100 0.121 0.000 1.125 127 Y CB -0.192 38.384 38.460 0.193 0.000 0.975 127 Y HN 0.241 nan 8.280 nan 0.000 0.492 128 I N 0.560 121.252 120.570 0.204 0.000 2.208 128 I HA -0.318 3.852 4.170 0.000 0.000 0.245 128 I C 2.331 178.530 176.117 0.137 0.000 1.097 128 I CA 1.688 63.090 61.300 0.170 0.000 1.363 128 I CB -1.329 36.848 38.000 0.294 0.000 1.051 128 I HN 0.305 nan 8.210 nan 0.000 0.413 129 R N 0.642 121.199 120.500 0.094 0.000 2.152 129 R HA -0.072 4.268 4.340 0.000 0.000 0.232 129 R C 2.339 178.657 176.300 0.030 0.000 1.117 129 R CA 1.356 57.483 56.100 0.045 0.000 0.981 129 R CB -0.346 29.960 30.300 0.011 0.000 0.870 129 R HN 0.392 nan 8.270 nan 0.000 0.451 130 A N 0.720 123.533 122.820 -0.011 0.000 1.898 130 A HA -0.051 4.269 4.320 0.000 0.000 0.214 130 A C 2.004 179.546 177.584 -0.070 0.000 1.183 130 A CA 1.266 53.275 52.037 -0.046 0.000 0.622 130 A CB -0.140 18.816 19.000 -0.074 0.000 0.824 130 A HN 0.223 nan 8.150 nan 0.000 0.444 131 V N -3.134 116.685 119.914 -0.159 0.000 3.514 131 V HA 0.165 4.285 4.120 0.000 0.000 0.301 131 V C 1.597 177.685 176.094 -0.011 0.000 1.346 131 V CA 0.539 62.749 62.300 -0.151 0.000 1.156 131 V CB -1.363 30.241 31.823 -0.366 0.000 1.029 131 V HN 0.471 nan 8.190 nan 0.000 0.428 132 Y N 2.279 122.565 120.300 -0.024 0.000 2.207 132 Y HA -0.169 4.381 4.550 0.000 0.000 0.287 132 Y C 2.050 177.999 175.900 0.081 0.000 1.156 132 Y CA 2.313 60.455 58.100 0.071 0.000 1.182 132 Y CB 0.001 38.483 38.460 0.037 0.000 0.979 132 Y HN 0.408 nan 8.280 nan 0.000 0.521 133 D N -0.417 120.036 120.400 0.088 0.000 2.348 133 D HA -0.079 4.561 4.640 0.000 0.000 0.216 133 D C 1.727 177.991 176.300 -0.061 0.000 0.970 133 D CA 1.413 55.430 54.000 0.028 0.000 0.889 133 D CB 0.150 41.001 40.800 0.085 0.000 0.912 133 D HN 0.495 nan 8.370 nan 0.000 0.524 134 V N -1.347 118.519 119.914 -0.080 0.000 3.556 134 V HA 0.247 4.367 4.120 0.000 0.000 0.287 134 V C 0.804 176.821 176.094 -0.129 0.000 1.422 134 V CA -0.467 61.772 62.300 -0.102 0.000 1.038 134 V CB -0.391 31.387 31.823 -0.074 0.000 0.850 134 V HN 0.031 nan 8.190 nan 0.000 0.437 135 I N -0.974 119.513 120.570 -0.137 0.000 3.076 135 I HA 1.044 5.215 4.170 0.000 0.000 0.313 135 I C 0.202 176.206 176.117 -0.189 0.000 1.053 135 I CA -0.425 60.781 61.300 -0.158 0.000 1.048 135 I CB 1.680 39.597 38.000 -0.139 0.000 1.264 135 I HN 0.273 nan 8.210 nan 0.000 0.498 136 G N 1.627 110.270 108.800 -0.263 0.000 2.337 136 G HA2 0.182 4.142 3.960 0.000 0.000 0.310 136 G HA3 0.182 4.142 3.960 0.000 0.000 0.310 136 G C -2.857 171.955 174.900 -0.146 0.000 1.534 136 G CA -0.381 44.590 45.100 -0.214 0.000 0.982 136 G HN 0.441 nan 8.290 nan 0.000 0.672 137 P HA 0.003 nan 4.420 nan 0.000 0.226 137 P C 0.517 177.758 177.300 -0.097 0.000 1.153 137 P CA 1.215 64.312 63.100 -0.006 0.000 0.777 137 P CB 0.167 31.861 31.700 -0.010 0.000 0.794 138 W N -0.738 120.687 121.300 0.209 0.000 2.818 138 W HA 0.229 4.889 4.660 0.000 0.000 0.403 138 W C 1.134 177.677 176.519 0.039 0.000 0.991 138 W CA 0.020 57.483 57.345 0.197 0.000 1.925 138 W CB 0.318 29.890 29.460 0.188 0.000 1.166 138 W HN -0.147 nan 8.180 nan 0.000 0.605 139 T N -1.748 112.841 114.554 0.059 0.000 3.280 139 T HA 0.053 4.403 4.350 0.000 0.000 0.256 139 T C -0.675 173.927 174.700 -0.162 0.000 0.995 139 T CA 0.358 62.413 62.100 -0.075 0.000 1.144 139 T CB 0.511 69.317 68.868 -0.104 0.000 1.140 139 T HN -0.222 nan 8.240 nan 0.000 0.423 140 D N 0.168 120.459 120.400 -0.182 0.000 2.688 140 D HA 0.327 4.967 4.640 0.000 0.000 0.210 140 D C -1.950 174.214 176.300 -0.226 0.000 1.333 140 D CA -0.367 53.512 54.000 -0.202 0.000 0.920 140 D CB 0.662 41.373 40.800 -0.148 0.000 1.554 140 D HN 0.140 nan 8.370 nan 0.000 0.579 141 I N 5.357 125.748 120.570 -0.297 0.000 2.405 141 I HA 0.378 4.548 4.170 0.000 0.000 0.280 141 I C -2.125 173.863 176.117 -0.215 0.000 1.027 141 I CA -1.707 59.422 61.300 -0.285 0.000 1.161 141 I CB 1.750 39.492 38.000 -0.430 0.000 1.300 141 I HN 0.143 nan 8.210 nan 0.000 0.463 142 P HA 0.576 nan 4.420 nan 0.000 0.293 142 P C -0.745 176.503 177.300 -0.086 0.000 1.298 142 P CA -0.417 62.639 63.100 -0.074 0.000 0.757 142 P CB 0.809 32.515 31.700 0.009 0.000 1.262 143 A N -1.662 121.112 122.820 -0.078 0.000 2.515 143 A HA 0.624 4.944 4.320 0.000 0.000 0.292 143 A C -2.951 174.564 177.584 -0.115 0.000 1.065 143 A CA -1.113 50.871 52.037 -0.090 0.000 0.641 143 A CB 0.342 19.293 19.000 -0.081 0.000 1.306 143 A HN 0.260 nan 8.150 nan 0.000 0.441 144 P HA 0.460 nan 4.420 nan 0.000 0.274 144 P C -0.844 176.376 177.300 -0.134 0.000 1.256 144 P CA 0.479 63.482 63.100 -0.163 0.000 0.795 144 P CB 1.069 32.675 31.700 -0.156 0.000 1.038 145 D N -1.221 119.088 120.400 -0.152 0.000 3.948 145 D HA 0.070 4.710 4.640 0.000 0.000 0.338 145 D C -0.896 175.332 176.300 -0.120 0.000 1.541 145 D CA -0.351 53.579 54.000 -0.117 0.000 0.973 145 D CB 0.770 41.510 40.800 -0.100 0.000 1.449 145 D HN -0.059 nan 8.370 nan 0.000 0.624 146 V N 3.286 123.115 119.914 -0.142 0.000 2.452 146 V HA -0.039 4.081 4.120 0.000 0.000 0.286 146 V C 0.187 176.209 176.094 -0.121 0.000 0.995 146 V CA 0.761 62.922 62.300 -0.230 0.000 1.116 146 V CB -1.149 30.436 31.823 -0.398 0.000 0.954 146 V HN 0.563 nan 8.190 nan 0.000 0.473 147 Y N 2.009 122.304 120.300 -0.008 0.000 4.916 147 Y HA -0.228 4.323 4.550 0.000 0.000 0.247 147 Y C 1.092 176.914 175.900 -0.130 0.000 0.962 147 Y CA 0.861 58.975 58.100 0.023 0.000 1.933 147 Y CB -2.628 35.942 38.460 0.182 0.000 1.451 147 Y HN 0.838 nan 8.280 nan 0.000 0.539 148 T N -0.401 114.058 114.554 -0.157 0.000 2.950 148 T HA 0.770 5.120 4.350 0.000 0.000 0.288 148 T C 0.068 174.620 174.700 -0.246 0.000 1.035 148 T CA -0.075 61.783 62.100 -0.403 0.000 1.028 148 T CB 3.176 71.632 68.868 -0.685 0.000 1.109 148 T HN 0.361 nan 8.240 nan 0.000 0.514 149 N N -0.667 117.866 118.700 -0.278 0.000 3.106 149 N HA 0.445 5.185 4.740 0.000 0.000 0.253 149 N C -2.886 172.474 175.510 -0.251 0.000 1.506 149 N CA -1.943 50.980 53.050 -0.212 0.000 0.876 149 N CB 0.275 38.657 38.487 -0.175 0.000 1.452 149 N HN 0.207 nan 8.380 nan 0.000 0.542 150 P HA -0.203 nan 4.420 nan 0.000 0.217 150 P C 1.043 178.143 177.300 -0.333 0.000 1.148 150 P CA 1.731 64.691 63.100 -0.233 0.000 0.828 150 P CB 0.252 31.840 31.700 -0.188 0.000 0.783 151 K N 0.039 120.189 120.400 -0.417 0.000 2.032 151 K HA -0.159 4.162 4.320 0.000 0.000 0.209 151 K C 1.918 177.920 176.600 -0.996 0.000 1.048 151 K CA 1.577 57.439 56.287 -0.707 0.000 0.927 151 K CB -0.605 31.466 32.500 -0.715 0.000 0.712 151 K HN 0.068 nan 8.250 nan 0.000 0.441 152 I N 0.807 120.981 120.570 -0.661 0.000 2.439 152 I HA -0.232 3.938 4.170 0.000 0.000 0.251 152 I C 2.275 178.287 176.117 -0.174 0.000 1.139 152 I CA 0.519 61.611 61.300 -0.347 0.000 1.438 152 I CB -0.116 37.660 38.000 -0.373 0.000 1.085 152 I HN 0.235 nan 8.210 nan 0.000 0.427 153 M N 0.262 119.720 119.600 -0.235 0.000 2.108 153 M HA -0.118 4.362 4.480 0.000 0.000 0.261 153 M C 2.446 178.685 176.300 -0.102 0.000 1.066 153 M CA 1.869 57.083 55.300 -0.143 0.000 1.107 153 M CB -1.911 30.591 32.600 -0.163 0.000 1.356 153 M HN 0.327 nan 8.290 nan 0.000 0.406 154 G N -0.822 107.862 108.800 -0.193 0.000 2.422 154 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 154 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 154 G C 1.250 176.179 174.900 0.049 0.000 1.146 154 G CA 0.351 45.364 45.100 -0.144 0.000 0.769 154 G HN 0.382 nan 8.290 nan 0.000 0.547 155 W N 0.647 121.944 121.300 -0.004 0.000 2.381 155 W HA 0.130 4.790 4.660 0.000 0.000 0.301 155 W C 2.727 179.291 176.519 0.075 0.000 1.205 155 W CA 0.534 57.902 57.345 0.037 0.000 1.285 155 W CB -0.927 28.562 29.460 0.050 0.000 1.133 155 W HN 0.211 nan 8.180 nan 0.000 0.521 156 M N -0.726 119.059 119.600 0.309 0.000 2.132 156 M HA -0.220 4.260 4.480 0.000 0.000 0.263 156 M C 2.332 178.778 176.300 0.242 0.000 1.065 156 M CA 1.368 56.827 55.300 0.264 0.000 1.122 156 M CB -0.784 31.948 32.600 0.220 0.000 1.365 156 M HN -0.159 nan 8.290 nan 0.000 0.411 157 M N 0.935 120.637 119.600 0.170 0.000 2.073 157 M HA -0.270 4.210 4.480 0.000 0.000 0.258 157 M C 1.496 177.943 176.300 0.245 0.000 1.070 157 M CA 2.346 57.755 55.300 0.181 0.000 1.103 157 M CB -0.912 31.719 32.600 0.051 0.000 1.321 157 M HN 0.211 nan 8.290 nan 0.000 0.405 158 D N -0.274 120.244 120.400 0.197 0.000 2.116 158 D HA -0.249 4.391 4.640 0.000 0.000 0.193 158 D C 1.828 178.239 176.300 0.186 0.000 0.998 158 D CA 1.978 56.092 54.000 0.191 0.000 0.836 158 D CB -0.088 40.818 40.800 0.177 0.000 0.951 158 D HN 0.463 nan 8.370 nan 0.000 0.449 159 E N -1.165 119.153 120.200 0.197 0.000 2.077 159 E HA -0.205 4.145 4.350 0.000 0.000 0.193 159 E C 1.897 178.602 176.600 0.175 0.000 0.989 159 E CA 0.985 57.481 56.400 0.159 0.000 0.800 159 E CB -0.623 29.177 29.700 0.166 0.000 0.746 159 E HN 0.540 nan 8.360 nan 0.000 0.452 160 Y N 1.188 121.599 120.300 0.184 0.000 2.181 160 Y HA -0.163 4.387 4.550 0.000 0.000 0.288 160 Y C 2.213 178.255 175.900 0.236 0.000 1.146 160 Y CA 2.274 60.530 58.100 0.259 0.000 1.164 160 Y CB -0.121 38.479 38.460 0.234 0.000 0.982 160 Y HN 0.152 nan 8.280 nan 0.000 0.515 161 E N -0.996 119.355 120.200 0.252 0.000 2.110 161 E HA -0.191 4.159 4.350 0.000 0.000 0.193 161 E C 1.913 178.544 176.600 0.051 0.000 0.988 161 E CA 1.710 58.214 56.400 0.173 0.000 0.804 161 E CB -0.076 29.768 29.700 0.241 0.000 0.745 161 E HN 0.479 nan 8.360 nan 0.000 0.458 162 T N 1.114 115.692 114.554 0.040 0.000 2.746 162 T HA -0.130 4.220 4.350 0.000 0.000 0.267 162 T C 1.871 176.512 174.700 -0.097 0.000 1.039 162 T CA 1.323 63.416 62.100 -0.013 0.000 1.142 162 T CB -0.123 68.745 68.868 -0.001 0.000 0.866 162 T HN 0.196 nan 8.240 nan 0.000 0.444 163 I N 0.649 121.104 120.570 -0.192 0.000 2.353 163 I HA -0.050 4.120 4.170 0.000 0.000 0.248 163 I C 2.509 178.426 176.117 -0.333 0.000 1.119 163 I CA 0.966 62.035 61.300 -0.385 0.000 1.417 163 I CB -0.347 37.169 38.000 -0.806 0.000 1.078 163 I HN 0.222 nan 8.210 nan 0.000 0.421 164 M N 0.616 120.074 119.600 -0.237 0.000 2.374 164 M HA -0.098 4.382 4.480 0.000 0.000 0.264 164 M C 0.175 176.459 176.300 -0.026 0.000 1.067 164 M CA 1.241 56.493 55.300 -0.080 0.000 1.103 164 M CB 0.131 32.663 32.600 -0.113 0.000 1.402 164 M HN 0.172 nan 8.290 nan 0.000 0.444 165 R N 0.962 121.439 120.500 -0.039 0.000 3.532 165 R HA -0.170 4.170 4.340 0.000 0.000 0.284 165 R C -0.289 176.022 176.300 0.019 0.000 1.140 165 R CA 0.950 57.044 56.100 -0.011 0.000 0.768 165 R CB -3.148 27.145 30.300 -0.013 0.000 1.252 165 R HN 0.651 nan 8.270 nan 0.000 0.454 166 R N -0.671 119.852 120.500 0.039 0.000 3.627 166 R HA -0.226 4.114 4.340 0.000 0.000 0.281 166 R C 0.881 177.212 176.300 0.052 0.000 1.140 166 R CA 1.438 57.570 56.100 0.055 0.000 0.761 166 R CB -0.596 29.729 30.300 0.041 0.000 1.181 166 R HN 0.247 nan 8.270 nan 0.000 0.472 167 K N -0.190 120.248 120.400 0.063 0.000 2.459 167 K HA 0.126 4.446 4.320 0.000 0.000 0.193 167 K C 1.171 177.823 176.600 0.086 0.000 1.030 167 K CA 1.170 57.496 56.287 0.065 0.000 1.026 167 K CB 0.785 33.324 32.500 0.066 0.000 0.809 167 K HN 0.475 nan 8.250 nan 0.000 0.504 168 G N 1.242 110.109 108.800 0.111 0.000 2.682 168 G HA2 0.245 4.205 3.960 0.000 0.000 0.303 168 G HA3 0.245 4.205 3.960 0.000 0.000 0.303 168 G C -2.861 172.115 174.900 0.126 0.000 1.341 168 G CA -0.775 44.405 45.100 0.133 0.000 0.784 168 G HN -0.225 nan 8.290 nan 0.000 0.497 169 P HA 0.252 nan 4.420 nan 0.000 0.235 169 P C 0.917 178.301 177.300 0.139 0.000 1.765 169 P CA 0.410 63.551 63.100 0.067 0.000 1.034 169 P CB 0.487 32.203 31.700 0.026 0.000 1.984 170 A N 1.036 123.984 122.820 0.213 0.000 2.070 170 A HA -0.179 4.141 4.320 0.000 0.000 0.220 170 A C 1.613 179.436 177.584 0.399 0.000 1.159 170 A CA 0.897 53.157 52.037 0.372 0.000 0.656 170 A CB -1.145 18.117 19.000 0.437 0.000 0.800 170 A HN 0.189 nan 8.150 nan 0.000 0.453 171 F N 0.276 120.289 119.950 0.104 0.000 2.202 171 F HA -0.063 4.464 4.527 0.000 0.000 0.301 171 F C 2.401 178.225 175.800 0.039 0.000 1.082 171 F CA 0.684 58.728 58.000 0.074 0.000 1.313 171 F CB -1.046 38.005 39.000 0.084 0.000 1.024 171 F HN 0.296 nan 8.300 nan 0.000 0.495 172 G N -1.291 107.632 108.800 0.206 0.000 3.088 172 G HA2 0.051 4.011 3.960 0.000 0.000 0.212 172 G HA3 0.051 4.011 3.960 0.000 0.000 0.212 172 G C 1.670 176.645 174.900 0.127 0.000 1.173 172 G CA 0.472 45.649 45.100 0.128 0.000 0.779 172 G HN 0.276 nan 8.290 nan 0.000 0.540 173 V N -0.112 119.790 119.914 -0.019 0.000 2.759 173 V HA 0.322 4.442 4.120 0.000 0.000 0.256 173 V C 0.757 176.751 176.094 -0.166 0.000 1.080 173 V CA 1.228 63.371 62.300 -0.261 0.000 1.101 173 V CB -0.170 31.214 31.823 -0.731 0.000 0.698 173 V HN 0.324 nan 8.190 nan 0.000 0.477 174 I N -1.028 119.511 120.570 -0.052 0.000 2.841 174 I HA 0.440 4.610 4.170 0.000 0.000 0.298 174 I C -0.210 175.899 176.117 -0.014 0.000 1.304 174 I CA -0.010 61.261 61.300 -0.048 0.000 1.019 174 I CB 2.356 40.331 38.000 -0.042 0.000 1.282 174 I HN 0.180 nan 8.210 nan 0.000 0.432 175 T N 1.180 115.716 114.554 -0.029 0.000 2.841 175 T HA 0.692 5.042 4.350 0.000 0.000 0.276 175 T C 0.706 175.371 174.700 -0.058 0.000 1.003 175 T CA -0.133 61.955 62.100 -0.019 0.000 0.995 175 T CB 1.383 70.261 68.868 0.017 0.000 1.260 175 T HN 1.600 nan 8.240 nan 0.000 0.581 176 G N 0.497 109.262 108.800 -0.057 0.000 2.143 176 G HA2 -0.224 3.736 3.960 0.000 0.000 0.248 176 G HA3 -0.224 3.736 3.960 0.000 0.000 0.248 176 G C -0.025 174.807 174.900 -0.113 0.000 0.991 176 G CA 0.425 45.475 45.100 -0.084 0.000 0.689 176 G HN 0.896 nan 8.290 nan 0.000 0.522 177 K N 0.566 120.897 120.400 -0.116 0.000 2.219 177 K HA 0.362 4.682 4.320 0.000 0.000 0.258 177 K C -2.167 174.333 176.600 -0.167 0.000 1.008 177 K CA -1.494 54.696 56.287 -0.162 0.000 0.928 177 K CB 0.385 32.766 32.500 -0.198 0.000 0.983 177 K HN 0.050 nan 8.250 nan 0.000 0.484 178 P HA -0.027 nan 4.420 nan 0.000 0.269 178 P C 0.448 177.642 177.300 -0.176 0.000 1.209 178 P CA 0.130 63.125 63.100 -0.175 0.000 0.776 178 P CB 0.456 32.045 31.700 -0.185 0.000 0.876 179 L N 1.472 122.609 121.223 -0.143 0.000 2.201 179 L HA -0.167 4.173 4.340 0.000 0.000 0.212 179 L C 2.222 178.987 176.870 -0.175 0.000 1.105 179 L CA 1.854 56.606 54.840 -0.146 0.000 0.775 179 L CB -0.745 41.249 42.059 -0.109 0.000 0.913 179 L HN 0.478 nan 8.230 nan 0.000 0.440 180 S N 0.765 116.374 115.700 -0.152 0.000 2.447 180 S HA -0.096 4.374 4.470 0.000 0.000 0.233 180 S C 1.245 175.753 174.600 -0.153 0.000 1.006 180 S CA 0.589 58.711 58.200 -0.131 0.000 0.957 180 S CB -0.409 62.734 63.200 -0.094 0.000 0.773 180 S HN 0.581 nan 8.310 nan 0.000 0.507 181 I N -3.773 116.638 120.570 -0.266 0.000 2.979 181 I HA 0.743 4.913 4.170 0.000 0.000 0.337 181 I C 0.773 176.328 176.117 -0.937 0.000 1.453 181 I CA -0.351 60.631 61.300 -0.529 0.000 0.891 181 I CB 0.468 38.156 38.000 -0.519 0.000 1.887 181 I HN 0.214 nan 8.210 nan 0.000 0.546 182 G N 0.736 109.282 108.800 -0.423 0.000 2.163 182 G HA2 -0.170 3.790 3.960 0.000 0.000 0.213 182 G HA3 -0.170 3.790 3.960 0.000 0.000 0.213 182 G C 0.602 175.490 174.900 -0.020 0.000 0.991 182 G CA -0.377 44.669 45.100 -0.090 0.000 0.653 182 G HN 0.902 nan 8.290 nan 0.000 0.518 183 G N -0.234 108.482 108.800 -0.140 0.000 2.712 183 G HA2 0.500 4.460 3.960 0.000 0.000 0.258 183 G HA3 0.500 4.460 3.960 0.000 0.000 0.258 183 G C 0.269 175.167 174.900 -0.004 0.000 1.241 183 G CA 0.994 46.046 45.100 -0.080 0.000 0.923 183 G HN 1.402 nan 8.290 nan 0.000 0.548 184 S N -1.168 114.524 115.700 -0.013 0.000 2.521 184 S HA 0.531 5.001 4.470 0.000 0.000 0.295 184 S C 0.033 174.627 174.600 -0.009 0.000 1.098 184 S CA -0.863 57.337 58.200 -0.000 0.000 0.999 184 S CB 0.703 63.887 63.200 -0.026 0.000 1.034 184 S HN 0.506 nan 8.310 nan 0.000 0.483 185 L N 3.580 124.806 121.223 0.006 0.000 2.483 185 L HA 0.357 4.697 4.340 0.000 0.000 0.275 185 L C 1.751 178.636 176.870 0.026 0.000 1.220 185 L CA 0.767 55.614 54.840 0.012 0.000 0.833 185 L CB -0.040 42.039 42.059 0.034 0.000 1.102 185 L HN 1.139 nan 8.230 nan 0.000 0.490 186 G N 1.204 110.010 108.800 0.009 0.000 2.176 186 G HA2 -0.305 3.655 3.960 0.000 0.000 0.253 186 G HA3 -0.305 3.655 3.960 0.000 0.000 0.253 186 G C 1.241 176.134 174.900 -0.011 0.000 0.979 186 G CA 0.525 45.634 45.100 0.015 0.000 0.641 186 G HN 0.753 nan 8.290 nan 0.000 0.530 187 R N 0.692 121.177 120.500 -0.025 0.000 2.096 187 R HA 0.019 4.359 4.340 0.000 0.000 0.235 187 R C 2.732 178.980 176.300 -0.085 0.000 1.127 187 R CA 2.305 58.379 56.100 -0.042 0.000 0.968 187 R CB -0.766 29.508 30.300 -0.044 0.000 0.861 187 R HN 0.469 nan 8.270 nan 0.000 0.440 188 G N -0.812 107.917 108.800 -0.120 0.000 2.394 188 G HA2 -0.172 3.788 3.960 0.000 0.000 0.215 188 G HA3 -0.172 3.788 3.960 0.000 0.000 0.215 188 G C 1.197 175.899 174.900 -0.329 0.000 1.165 188 G CA 1.043 46.036 45.100 -0.178 0.000 0.784 188 G HN 0.354 nan 8.290 nan 0.000 0.535 189 T N 1.624 115.948 114.554 -0.384 0.000 3.085 189 T HA 0.253 4.603 4.350 0.000 0.000 0.263 189 T C 2.665 177.212 174.700 -0.255 0.000 1.127 189 T CA 0.831 62.647 62.100 -0.473 0.000 1.103 189 T CB -0.070 68.566 68.868 -0.386 0.000 0.921 189 T HN 0.367 nan 8.240 nan 0.000 0.510 190 A N 2.016 124.747 122.820 -0.148 0.000 1.869 190 A HA -0.235 4.085 4.320 0.000 0.000 0.218 190 A C 2.538 180.084 177.584 -0.064 0.000 1.203 190 A CA 2.466 54.466 52.037 -0.061 0.000 0.638 190 A CB -1.473 17.508 19.000 -0.030 0.000 0.831 190 A HN 0.446 nan 8.150 nan 0.000 0.450 191 T N -0.158 114.350 114.554 -0.077 0.000 2.674 191 T HA 0.021 4.371 4.350 0.000 0.000 0.265 191 T C 2.255 176.905 174.700 -0.084 0.000 1.039 191 T CA 1.840 63.904 62.100 -0.060 0.000 1.150 191 T CB -0.551 68.288 68.868 -0.049 0.000 0.864 191 T HN 0.651 nan 8.240 nan 0.000 0.427 192 A N 1.107 123.857 122.820 -0.117 0.000 1.883 192 A HA -0.181 4.139 4.320 0.000 0.000 0.217 192 A C 2.272 179.735 177.584 -0.201 0.000 1.186 192 A CA 2.065 54.021 52.037 -0.136 0.000 0.624 192 A CB -0.825 18.101 19.000 -0.123 0.000 0.822 192 A HN 0.428 nan 8.150 nan 0.000 0.444 193 Q N -0.160 119.492 119.800 -0.246 0.000 2.050 193 Q HA -0.051 4.289 4.340 0.000 0.000 0.202 193 Q C 2.010 177.709 176.000 -0.502 0.000 0.980 193 Q CA 2.333 57.891 55.803 -0.408 0.000 0.840 193 Q CB -1.126 27.439 28.738 -0.289 0.000 0.898 193 Q HN 0.504 nan 8.270 nan 0.000 0.424 194 G N -0.022 108.696 108.800 -0.138 0.000 2.446 194 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 194 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 194 G C 1.508 176.399 174.900 -0.014 0.000 1.168 194 G CA 1.308 46.451 45.100 0.071 0.000 0.771 194 G HN 0.556 nan 8.290 nan 0.000 0.551 195 A N 0.904 123.674 122.820 -0.083 0.000 1.917 195 A HA -0.062 4.259 4.320 0.000 0.000 0.219 195 A C 2.354 179.859 177.584 -0.133 0.000 1.182 195 A CA 1.604 53.587 52.037 -0.089 0.000 0.633 195 A CB -0.326 18.622 19.000 -0.087 0.000 0.819 195 A HN 0.299 nan 8.150 nan 0.000 0.448 196 I N -1.227 119.210 120.570 -0.223 0.000 2.315 196 I HA -0.182 3.988 4.170 0.000 0.000 0.248 196 I C 2.275 178.271 176.117 -0.201 0.000 1.117 196 I CA 1.212 62.360 61.300 -0.252 0.000 1.404 196 I CB -1.551 36.241 38.000 -0.346 0.000 1.071 196 I HN 0.271 nan 8.210 nan 0.000 0.419 197 F N 1.566 121.458 119.950 -0.098 0.000 2.102 197 F HA -0.221 4.306 4.527 0.000 0.000 0.298 197 F C 2.907 178.572 175.800 -0.225 0.000 1.105 197 F CA 1.831 59.760 58.000 -0.119 0.000 1.239 197 F CB -1.754 37.206 39.000 -0.067 0.000 0.991 197 F HN 0.192 nan 8.300 nan 0.000 0.474 198 T N -1.332 113.191 114.554 -0.050 0.000 2.777 198 T HA -0.168 4.182 4.350 0.000 0.000 0.266 198 T C 2.116 176.545 174.700 -0.451 0.000 1.040 198 T CA 1.430 63.349 62.100 -0.301 0.000 1.141 198 T CB -1.007 67.785 68.868 -0.127 0.000 0.868 198 T HN 0.275 nan 8.240 nan 0.000 0.444 199 I N 1.159 121.577 120.570 -0.253 0.000 2.208 199 I HA -0.184 3.986 4.170 0.000 0.000 0.245 199 I C 3.157 179.125 176.117 -0.247 0.000 1.097 199 I CA 1.595 62.759 61.300 -0.226 0.000 1.363 199 I CB -0.442 37.472 38.000 -0.143 0.000 1.051 199 I HN 0.238 nan 8.210 nan 0.000 0.413 200 R N 0.950 121.330 120.500 -0.200 0.000 2.070 200 R HA -0.183 4.157 4.340 0.000 0.000 0.233 200 R C 2.144 178.296 176.300 -0.245 0.000 1.137 200 R CA 1.571 57.581 56.100 -0.151 0.000 0.945 200 R CB -0.109 30.170 30.300 -0.034 0.000 0.845 200 R HN 0.258 nan 8.270 nan 0.000 0.430 201 E N 0.290 120.240 120.200 -0.416 0.000 2.268 201 E HA -0.130 4.220 4.350 0.000 0.000 0.195 201 E C 1.718 177.796 176.600 -0.870 0.000 0.995 201 E CA 1.001 57.047 56.400 -0.589 0.000 0.836 201 E CB -0.110 29.089 29.700 -0.835 0.000 0.763 201 E HN 0.452 nan 8.360 nan 0.000 0.491 202 A N 1.696 123.914 122.820 -1.004 0.000 1.832 202 A HA -0.053 4.267 4.320 0.000 0.000 0.214 202 A C 2.478 179.907 177.584 -0.259 0.000 1.200 202 A CA 2.023 53.677 52.037 -0.639 0.000 0.610 202 A CB -0.873 17.857 19.000 -0.449 0.000 0.842 202 A HN 0.268 nan 8.150 nan 0.000 0.444 203 A N -0.009 122.693 122.820 -0.196 0.000 1.948 203 A HA -0.264 4.056 4.320 0.000 0.000 0.220 203 A C 2.119 179.671 177.584 -0.053 0.000 1.177 203 A CA 2.458 54.440 52.037 -0.091 0.000 0.636 203 A CB -0.601 18.353 19.000 -0.077 0.000 0.815 203 A HN 0.648 nan 8.150 nan 0.000 0.449 204 K N -0.259 120.102 120.400 -0.064 0.000 2.001 204 K HA -0.150 4.170 4.320 0.000 0.000 0.214 204 K C 2.113 178.761 176.600 0.080 0.000 1.050 204 K CA 1.689 57.992 56.287 0.028 0.000 0.934 204 K CB -0.495 32.061 32.500 0.094 0.000 0.718 204 K HN 0.333 nan 8.250 nan 0.000 0.443 205 A N 0.589 123.455 122.820 0.076 0.000 2.032 205 A HA -0.136 4.184 4.320 0.000 0.000 0.221 205 A C 1.884 179.511 177.584 0.071 0.000 1.165 205 A CA 1.357 53.439 52.037 0.074 0.000 0.645 205 A CB -0.370 18.414 19.000 -0.359 0.000 0.807 205 A HN 0.371 nan 8.150 nan 0.000 0.453 206 L N -1.723 119.528 121.223 0.047 0.000 2.592 206 L HA 0.273 4.613 4.340 0.000 0.000 0.227 206 L C 1.905 178.809 176.870 0.057 0.000 1.127 206 L CA 1.130 56.013 54.840 0.072 0.000 0.884 206 L CB -0.337 41.754 42.059 0.053 0.000 1.065 206 L HN 0.605 nan 8.230 nan 0.000 0.457 207 G N -0.122 108.706 108.800 0.048 0.000 2.284 207 G HA2 -0.333 3.627 3.960 0.000 0.000 0.261 207 G HA3 -0.333 3.627 3.960 0.000 0.000 0.261 207 G C 0.723 175.637 174.900 0.023 0.000 0.997 207 G CA 0.356 45.478 45.100 0.037 0.000 0.621 207 G HN 0.321 nan 8.290 nan 0.000 0.534 208 I N 2.374 122.954 120.570 0.017 0.000 2.828 208 I HA -0.012 4.158 4.170 0.000 0.000 0.292 208 I C 1.336 177.453 176.117 0.001 0.000 1.206 208 I CA 0.576 61.880 61.300 0.007 0.000 1.420 208 I CB 0.388 38.387 38.000 -0.001 0.000 1.368 208 I HN 0.175 nan 8.210 nan 0.000 0.556 209 D N 6.531 126.932 120.400 0.003 0.000 2.224 209 D HA -0.110 4.530 4.640 0.000 0.000 0.205 209 D C 2.045 178.342 176.300 -0.004 0.000 0.965 209 D CA 0.674 54.675 54.000 0.001 0.000 0.852 209 D CB 0.480 41.282 40.800 0.004 0.000 0.947 209 D HN 0.675 nan 8.370 nan 0.000 0.494 210 L N -0.807 120.412 121.223 -0.008 0.000 3.417 210 L HA -0.314 4.026 4.340 0.000 0.000 0.368 210 L C 0.947 177.810 176.870 -0.011 0.000 0.810 210 L CA 1.873 56.704 54.840 -0.014 0.000 3.108 210 L CB -1.351 40.694 42.059 -0.023 0.000 0.687 210 L HN 0.196 nan 8.230 nan 0.000 0.756 211 K N 1.037 121.433 120.400 -0.007 0.000 2.366 211 K HA 0.385 4.705 4.320 0.000 0.000 0.279 211 K C 1.209 177.807 176.600 -0.003 0.000 1.098 211 K CA 1.353 57.638 56.287 -0.004 0.000 1.087 211 K CB -0.626 31.874 32.500 -0.001 0.000 0.901 211 K HN 1.127 nan 8.250 nan 0.000 0.463 212 G N -0.650 108.148 108.800 -0.004 0.000 2.279 212 G HA2 -0.017 3.943 3.960 0.000 0.000 0.223 212 G HA3 -0.017 3.943 3.960 0.000 0.000 0.223 212 G C 0.907 175.804 174.900 -0.005 0.000 1.015 212 G CA 0.864 45.962 45.100 -0.003 0.000 0.621 212 G HN 1.553 nan 8.290 nan 0.000 0.506 213 K N 0.325 120.721 120.400 -0.006 0.000 2.188 213 K HA 0.761 5.081 4.320 0.000 0.000 0.246 213 K C 0.483 177.077 176.600 -0.009 0.000 1.026 213 K CA 1.426 57.708 56.287 -0.007 0.000 0.871 213 K CB -0.324 32.171 32.500 -0.008 0.000 1.042 213 K HN 1.843 nan 8.250 nan 0.000 0.509 214 K N 0.531 120.926 120.400 -0.009 0.000 2.130 214 K HA 0.742 5.062 4.320 0.000 0.000 0.268 214 K C -0.354 176.238 176.600 -0.013 0.000 0.983 214 K CA -0.192 56.089 56.287 -0.010 0.000 0.893 214 K CB 0.940 33.435 32.500 -0.008 0.000 1.066 214 K HN 1.013 nan 8.250 nan 0.000 0.450 215 I N 0.216 120.778 120.570 -0.013 0.000 2.647 215 I HA 0.758 4.928 4.170 0.000 0.000 0.295 215 I C -0.757 175.354 176.117 -0.010 0.000 1.078 215 I CA -0.971 60.321 61.300 -0.014 0.000 1.048 215 I CB 2.207 40.196 38.000 -0.018 0.000 1.239 215 I HN 0.781 nan 8.210 nan 0.000 0.421 216 A N 6.556 129.372 122.820 -0.007 0.000 2.355 216 A HA 0.754 5.074 4.320 0.000 0.000 0.317 216 A C -1.501 176.087 177.584 0.007 0.000 1.094 216 A CA -0.484 51.550 52.037 -0.004 0.000 0.764 216 A CB 1.736 20.731 19.000 -0.008 0.000 1.230 216 A HN 0.460 nan 8.150 nan 0.000 0.448 217 V N 3.292 123.220 119.914 0.023 0.000 2.325 217 V HA 0.255 4.375 4.120 0.000 0.000 0.280 217 V C 0.206 176.337 176.094 0.062 0.000 1.016 217 V CA -0.405 61.924 62.300 0.047 0.000 0.818 217 V CB 1.192 33.068 31.823 0.087 0.000 1.019 217 V HN 0.949 nan 8.190 nan 0.000 0.434 218 Q N 3.593 123.417 119.800 0.041 0.000 2.409 218 Q HA 0.483 4.823 4.340 0.000 0.000 0.240 218 Q C 0.335 176.374 176.000 0.065 0.000 1.226 218 Q CA 0.707 56.534 55.803 0.041 0.000 0.895 218 Q CB 0.462 29.215 28.738 0.025 0.000 1.491 218 Q HN 1.071 nan 8.270 nan 0.000 0.509 219 G N 2.952 111.814 108.800 0.103 0.000 2.453 219 G HA2 -0.122 3.838 3.960 0.000 0.000 0.665 219 G HA3 -0.122 3.838 3.960 0.000 0.000 0.665 219 G C -1.780 173.287 174.900 0.277 0.000 1.411 219 G CA -0.869 44.313 45.100 0.137 0.000 0.889 219 G HN 0.452 nan 8.290 nan 0.000 0.651 220 Y N 1.637 121.954 120.300 0.029 0.000 2.555 220 Y HA 0.519 5.069 4.550 0.000 0.000 0.317 220 Y C 1.161 177.097 175.900 0.061 0.000 0.928 220 Y CA 0.057 58.185 58.100 0.047 0.000 1.116 220 Y CB 0.656 39.132 38.460 0.026 0.000 1.169 220 Y HN 0.978 nan 8.280 nan 0.000 0.627 221 G N 0.074 108.926 108.800 0.086 0.000 2.508 221 G HA2 -0.045 3.915 3.960 0.000 0.000 0.278 221 G HA3 -0.045 3.915 3.960 0.000 0.000 0.278 221 G C 1.077 175.994 174.900 0.028 0.000 1.389 221 G CA -0.146 44.986 45.100 0.054 0.000 1.050 221 G HN 0.447 nan 8.290 nan 0.000 0.522 222 N N -0.501 118.245 118.700 0.077 0.000 2.060 222 N HA -0.241 4.499 4.740 0.000 0.000 0.195 222 N C 2.351 177.937 175.510 0.126 0.000 1.028 222 N CA 1.742 54.890 53.050 0.162 0.000 0.861 222 N CB -0.207 38.361 38.487 0.136 0.000 1.029 222 N HN 0.457 nan 8.380 nan 0.000 0.428 223 A N 0.610 123.454 122.820 0.041 0.000 1.841 223 A HA -0.054 4.266 4.320 0.000 0.000 0.216 223 A C 2.417 179.975 177.584 -0.044 0.000 1.199 223 A CA 2.180 54.217 52.037 -0.002 0.000 0.621 223 A CB -1.649 17.347 19.000 -0.006 0.000 0.835 223 A HN 0.517 nan 8.150 nan 0.000 0.445 224 G N -1.427 107.345 108.800 -0.046 0.000 2.491 224 G HA2 -0.347 3.613 3.960 0.000 0.000 0.218 224 G HA3 -0.347 3.613 3.960 0.000 0.000 0.218 224 G C 1.581 176.326 174.900 -0.259 0.000 1.180 224 G CA 1.608 46.670 45.100 -0.062 0.000 0.774 224 G HN 0.662 nan 8.290 nan 0.000 0.562 225 Y N 0.625 120.508 120.300 -0.694 0.000 2.128 225 Y HA -0.173 4.377 4.550 0.000 0.000 0.284 225 Y C 2.485 178.070 175.900 -0.524 0.000 1.154 225 Y CA 1.399 58.845 58.100 -1.090 0.000 1.149 225 Y CB -0.762 37.047 38.460 -1.084 0.000 0.976 225 Y HN 0.271 nan 8.280 nan 0.000 0.505 226 Y N 0.326 120.126 120.300 -0.833 0.000 2.314 226 Y HA -0.108 4.442 4.550 0.000 0.000 0.293 226 Y C 2.656 178.312 175.900 -0.407 0.000 1.129 226 Y CA 1.825 59.485 58.100 -0.734 0.000 1.201 226 Y CB -0.757 37.396 38.460 -0.512 0.000 0.999 226 Y HN 0.113 nan 8.280 nan 0.000 0.541 227 T N -0.284 114.186 114.554 -0.141 0.000 2.746 227 T HA -0.221 4.129 4.350 0.000 0.000 0.267 227 T C 2.244 176.881 174.700 -0.105 0.000 1.039 227 T CA 1.291 63.323 62.100 -0.113 0.000 1.142 227 T CB -0.588 68.232 68.868 -0.080 0.000 0.866 227 T HN 0.414 nan 8.240 nan 0.000 0.444 228 A N 1.739 124.498 122.820 -0.101 0.000 1.877 228 A HA -0.022 4.298 4.320 0.000 0.000 0.216 228 A C 2.592 180.137 177.584 -0.066 0.000 1.186 228 A CA 2.459 54.475 52.037 -0.035 0.000 0.620 228 A CB -1.159 17.897 19.000 0.094 0.000 0.822 228 A HN 0.553 nan 8.150 nan 0.000 0.443 229 K N 0.037 120.339 120.400 -0.163 0.000 2.002 229 K HA 0.006 4.326 4.320 0.000 0.000 0.209 229 K C 1.984 178.532 176.600 -0.087 0.000 1.048 229 K CA 1.723 57.925 56.287 -0.142 0.000 0.930 229 K CB -1.277 31.028 32.500 -0.325 0.000 0.714 229 K HN 0.515 nan 8.250 nan 0.000 0.438 230 L N -0.191 120.972 121.223 -0.101 0.000 2.109 230 L HA 0.024 4.364 4.340 0.000 0.000 0.207 230 L C 3.160 179.980 176.870 -0.084 0.000 1.086 230 L CA 0.895 55.680 54.840 -0.091 0.000 0.760 230 L CB -0.631 41.349 42.059 -0.133 0.000 0.910 230 L HN 0.438 nan 8.230 nan 0.000 0.437 231 A N 1.017 123.786 122.820 -0.085 0.000 1.903 231 A HA -0.297 4.023 4.320 0.000 0.000 0.219 231 A C 2.594 180.152 177.584 -0.043 0.000 1.191 231 A CA 2.912 54.910 52.037 -0.066 0.000 0.638 231 A CB -0.812 18.154 19.000 -0.057 0.000 0.823 231 A HN 0.372 nan 8.150 nan 0.000 0.451 232 K N 0.537 120.917 120.400 -0.034 0.000 1.984 232 K HA -0.133 4.187 4.320 0.000 0.000 0.219 232 K C 1.746 178.336 176.600 -0.017 0.000 1.033 232 K CA 1.734 58.010 56.287 -0.018 0.000 0.983 232 K CB -1.374 31.122 32.500 -0.007 0.000 0.762 232 K HN 0.839 nan 8.250 nan 0.000 0.445 233 E N -0.158 120.034 120.200 -0.014 0.000 2.463 233 E HA -0.086 4.264 4.350 0.000 0.000 0.201 233 E C 1.991 178.586 176.600 -0.008 0.000 1.045 233 E CA 1.350 57.748 56.400 -0.004 0.000 0.872 233 E CB -0.103 29.600 29.700 0.005 0.000 0.797 233 E HN 0.584 nan 8.360 nan 0.000 0.538 234 Q N 1.027 120.814 119.800 -0.023 0.000 2.471 234 Q HA 0.310 4.650 4.340 0.000 0.000 0.241 234 Q C 1.948 177.937 176.000 -0.018 0.000 0.886 234 Q CA 0.433 56.223 55.803 -0.023 0.000 0.953 234 Q CB -0.106 28.600 28.738 -0.052 0.000 1.108 234 Q HN 0.365 nan 8.270 nan 0.000 0.575 235 L N -0.964 120.241 121.223 -0.029 0.000 2.616 235 L HA 0.409 4.749 4.340 0.000 0.000 0.229 235 L C 1.647 178.508 176.870 -0.016 0.000 1.110 235 L CA 0.568 55.394 54.840 -0.025 0.000 0.884 235 L CB 0.817 42.852 42.059 -0.041 0.000 1.115 235 L HN 0.617 nan 8.230 nan 0.000 0.481 236 G N 0.197 108.989 108.800 -0.012 0.000 2.179 236 G HA2 -0.283 3.677 3.960 0.000 0.000 0.260 236 G HA3 -0.283 3.677 3.960 0.000 0.000 0.260 236 G C 0.435 175.330 174.900 -0.008 0.000 0.977 236 G CA -0.007 45.089 45.100 -0.007 0.000 0.641 236 G HN 0.175 nan 8.290 nan 0.000 0.533 237 M N 0.865 120.456 119.600 -0.014 0.000 2.207 237 M HA 0.275 4.755 4.480 0.000 0.000 0.311 237 M C 0.471 176.766 176.300 -0.009 0.000 1.127 237 M CA 0.792 56.084 55.300 -0.014 0.000 1.181 237 M CB 0.348 32.936 32.600 -0.021 0.000 1.409 237 M HN 0.096 nan 8.290 nan 0.000 0.461 238 T N 1.927 116.476 114.554 -0.008 0.000 2.781 238 T HA 0.313 4.663 4.350 0.000 0.000 0.305 238 T C -0.087 174.608 174.700 -0.008 0.000 1.001 238 T CA -0.602 61.494 62.100 -0.006 0.000 0.950 238 T CB 0.102 68.968 68.868 -0.004 0.000 0.955 238 T HN 0.377 nan 8.240 nan 0.000 0.471 239 V N 5.357 125.266 119.914 -0.007 0.000 2.400 239 V HA 0.009 4.129 4.120 0.000 0.000 0.263 239 V C 1.559 177.641 176.094 -0.020 0.000 1.026 239 V CA 0.161 62.455 62.300 -0.010 0.000 1.077 239 V CB -0.168 31.653 31.823 -0.003 0.000 1.054 239 V HN 0.876 nan 8.190 nan 0.000 0.477 240 V N 2.001 121.903 119.914 -0.021 0.000 3.647 240 V HA 0.755 4.875 4.120 0.000 0.000 0.279 240 V C 0.646 176.717 176.094 -0.038 0.000 1.314 240 V CA 0.670 62.955 62.300 -0.025 0.000 1.125 240 V CB -0.061 31.751 31.823 -0.017 0.000 0.907 240 V HN 0.916 nan 8.190 nan 0.000 0.434 241 A N 0.070 122.863 122.820 -0.045 0.000 2.582 241 A HA 0.775 5.095 4.320 0.000 0.000 0.297 241 A C -0.790 176.755 177.584 -0.064 0.000 1.059 241 A CA 0.112 52.112 52.037 -0.062 0.000 0.705 241 A CB 1.556 20.530 19.000 -0.043 0.000 1.279 241 A HN 1.440 nan 8.150 nan 0.000 0.404 242 V N -0.989 118.854 119.914 -0.118 0.000 3.084 242 V HA 1.056 5.176 4.120 0.000 0.000 0.311 242 V C -0.112 175.902 176.094 -0.132 0.000 1.311 242 V CA -0.079 62.155 62.300 -0.111 0.000 1.062 242 V CB 1.254 32.931 31.823 -0.243 0.000 1.113 242 V HN 2.467 nan 8.190 nan 0.000 0.468 243 S N -0.614 115.020 115.700 -0.110 0.000 2.636 243 S HA 0.673 5.143 4.470 0.000 0.000 0.266 243 S C -1.870 172.717 174.600 -0.021 0.000 1.147 243 S CA -0.140 58.014 58.200 -0.076 0.000 0.815 243 S CB 1.894 65.081 63.200 -0.022 0.000 1.119 243 S HN 1.586 nan 8.310 nan 0.000 0.470 244 D N -0.555 119.847 120.400 0.003 0.000 2.636 244 D HA 0.385 5.025 4.640 0.000 0.000 0.275 244 D C 1.348 177.677 176.300 0.047 0.000 1.130 244 D CA 0.035 54.068 54.000 0.055 0.000 1.031 244 D CB 1.137 41.975 40.800 0.063 0.000 1.451 244 D HN 0.740 nan 8.370 nan 0.000 0.505 245 S N -0.727 115.008 115.700 0.057 0.000 2.389 245 S HA -0.269 4.201 4.470 0.000 0.000 0.231 245 S C 1.537 176.162 174.600 0.041 0.000 1.052 245 S CA 1.847 60.076 58.200 0.049 0.000 1.053 245 S CB -1.009 62.223 63.200 0.053 0.000 0.886 245 S HN 0.843 nan 8.310 nan 0.000 0.456 246 R N 1.459 121.986 120.500 0.044 0.000 4.231 246 R HA 0.628 4.968 4.340 0.000 0.000 0.250 246 R C 0.866 177.187 176.300 0.036 0.000 1.600 246 R CA 0.251 56.376 56.100 0.041 0.000 1.523 246 R CB -1.301 29.028 30.300 0.048 0.000 1.422 246 R HN 1.695 nan 8.270 nan 0.000 0.759 247 G N -0.594 108.220 108.800 0.024 0.000 2.663 247 G HA2 0.395 4.355 3.960 0.000 0.000 0.686 247 G HA3 0.395 4.355 3.960 0.000 0.000 0.686 247 G C 0.187 175.082 174.900 -0.009 0.000 1.246 247 G CA -0.283 44.824 45.100 0.012 0.000 0.795 247 G HN 1.306 nan 8.290 nan 0.000 0.627 248 G N -1.000 107.785 108.800 -0.024 0.000 2.735 248 G HA2 1.060 5.020 3.960 0.000 0.000 0.301 248 G HA3 1.060 5.020 3.960 0.000 0.000 0.301 248 G C -0.343 174.516 174.900 -0.069 0.000 1.279 248 G CA -0.194 44.873 45.100 -0.055 0.000 1.019 248 G HN 2.002 nan 8.290 nan 0.000 0.497 249 I N -4.212 116.297 120.570 -0.101 0.000 2.827 249 I HA 0.798 4.968 4.170 0.000 0.000 0.298 249 I C -0.680 175.383 176.117 -0.090 0.000 1.235 249 I CA -1.473 59.767 61.300 -0.099 0.000 1.021 249 I CB 1.369 39.286 38.000 -0.137 0.000 1.259 249 I HN 0.816 nan 8.210 nan 0.000 0.427 250 Y N 1.003 121.266 120.300 -0.062 0.000 2.562 250 Y HA 0.900 5.450 4.550 0.000 0.000 0.343 250 Y C 0.012 175.891 175.900 -0.035 0.000 1.025 250 Y CA -0.783 57.288 58.100 -0.048 0.000 1.082 250 Y CB 1.486 39.925 38.460 -0.035 0.000 1.264 250 Y HN 1.480 nan 8.280 nan 0.000 0.478 251 N N 1.519 120.203 118.700 -0.026 0.000 3.866 251 N HA 0.373 5.113 4.740 0.000 0.000 0.151 251 N C -2.477 173.026 175.510 -0.011 0.000 1.455 251 N CA -0.341 52.700 53.050 -0.015 0.000 1.007 251 N CB 0.409 38.898 38.487 0.003 0.000 1.739 251 N HN 0.552 nan 8.380 nan 0.000 0.709 252 P HA 0.013 nan 4.420 nan 0.000 0.251 252 P C -0.311 176.985 177.300 -0.007 0.000 1.251 252 P CA 0.960 64.054 63.100 -0.011 0.000 0.763 252 P CB -0.092 31.602 31.700 -0.011 0.000 1.067 253 D N -0.012 120.385 120.400 -0.004 0.000 2.213 253 D HA 0.223 4.864 4.640 0.000 0.000 0.205 253 D C 0.996 177.298 176.300 0.004 0.000 0.961 253 D CA 0.964 54.964 54.000 -0.001 0.000 0.853 253 D CB -0.149 40.650 40.800 -0.001 0.000 0.967 253 D HN 0.206 nan 8.370 nan 0.000 0.496 254 G N 0.320 109.124 108.800 0.007 0.000 2.789 254 G HA2 0.035 3.995 3.960 0.000 0.000 0.353 254 G HA3 0.035 3.995 3.960 0.000 0.000 0.353 254 G C -0.832 174.082 174.900 0.023 0.000 1.220 254 G CA -1.000 44.106 45.100 0.010 0.000 1.204 254 G HN 0.075 nan 8.290 nan 0.000 0.574 255 L N 2.132 123.358 121.223 0.005 0.000 2.436 255 L HA 0.487 4.827 4.340 0.000 0.000 0.265 255 L C 0.483 177.352 176.870 -0.003 0.000 1.168 255 L CA -0.534 54.301 54.840 -0.009 0.000 0.815 255 L CB 1.026 43.016 42.059 -0.115 0.000 1.109 255 L HN 0.568 nan 8.230 nan 0.000 0.462 256 D N 2.401 122.806 120.400 0.008 0.000 2.381 256 D HA 0.236 4.876 4.640 0.000 0.000 0.235 256 D C -2.073 174.238 176.300 0.018 0.000 1.068 256 D CA -1.738 52.284 54.000 0.036 0.000 0.832 256 D CB 2.496 43.347 40.800 0.086 0.000 1.101 256 D HN 0.186 nan 8.370 nan 0.000 0.515 257 P HA -0.056 nan 4.420 nan 0.000 0.219 257 P C 0.697 178.122 177.300 0.209 0.000 1.150 257 P CA 0.699 63.921 63.100 0.203 0.000 0.814 257 P CB 0.566 32.404 31.700 0.231 0.000 0.787 258 D N 0.438 120.925 120.400 0.144 0.000 2.077 258 D HA -0.173 4.467 4.640 0.000 0.000 0.196 258 D C 1.956 178.287 176.300 0.051 0.000 0.986 258 D CA 1.378 55.414 54.000 0.059 0.000 0.829 258 D CB -0.680 40.166 40.800 0.077 0.000 0.983 258 D HN 0.425 nan 8.370 nan 0.000 0.453 259 E N 1.254 121.516 120.200 0.103 0.000 2.204 259 E HA -0.119 4.231 4.350 0.000 0.000 0.195 259 E C 2.062 178.793 176.600 0.217 0.000 0.990 259 E CA 0.893 57.413 56.400 0.199 0.000 0.821 259 E CB -0.261 29.603 29.700 0.273 0.000 0.750 259 E HN 0.052 nan 8.360 nan 0.000 0.477 260 V N 0.967 120.827 119.914 -0.091 0.000 2.515 260 V HA -0.188 3.932 4.120 0.000 0.000 0.250 260 V C 2.280 178.331 176.094 -0.072 0.000 1.058 260 V CA 1.402 63.439 62.300 -0.439 0.000 1.064 260 V CB -0.430 30.979 31.823 -0.689 0.000 0.675 260 V HN 0.285 nan 8.190 nan 0.000 0.461 261 L N -0.083 121.168 121.223 0.046 0.000 2.072 261 L HA -0.049 4.291 4.340 0.000 0.000 0.205 261 L C 2.345 179.238 176.870 0.038 0.000 1.079 261 L CA 1.885 56.745 54.840 0.034 0.000 0.752 261 L CB -0.689 41.187 42.059 -0.305 0.000 0.906 261 L HN 0.125 nan 8.230 nan 0.000 0.436 262 K N -0.908 119.536 120.400 0.073 0.000 2.009 262 K HA -0.263 4.057 4.320 0.000 0.000 0.210 262 K C 2.008 178.724 176.600 0.194 0.000 1.049 262 K CA 2.044 58.396 56.287 0.107 0.000 0.929 262 K CB -0.653 31.929 32.500 0.136 0.000 0.714 262 K HN 0.542 nan 8.250 nan 0.000 0.440 263 W N 2.503 123.899 121.300 0.159 0.000 2.302 263 W HA -0.328 4.332 4.660 0.000 0.000 0.320 263 W C 2.043 178.698 176.519 0.226 0.000 1.241 263 W CA 2.075 59.561 57.345 0.235 0.000 1.264 263 W CB -0.397 29.174 29.460 0.185 0.000 1.154 263 W HN 0.040 nan 8.180 nan 0.000 0.483 264 K N 0.543 121.126 120.400 0.306 0.000 2.044 264 K HA -0.244 4.076 4.320 0.000 0.000 0.210 264 K C 2.563 179.218 176.600 0.092 0.000 1.049 264 K CA 3.374 59.775 56.287 0.189 0.000 0.927 264 K CB -0.778 31.805 32.500 0.139 0.000 0.713 264 K HN 0.050 nan 8.250 nan 0.000 0.443 265 R N 0.892 121.424 120.500 0.054 0.000 2.119 265 R HA 0.070 4.410 4.340 0.000 0.000 0.222 265 R C 2.125 178.392 176.300 -0.054 0.000 1.088 265 R CA 1.423 57.522 56.100 -0.002 0.000 0.984 265 R CB -0.980 29.310 30.300 -0.018 0.000 0.884 265 R HN 0.301 nan 8.270 nan 0.000 0.447 266 E N -0.108 120.055 120.200 -0.061 0.000 2.208 266 E HA -0.091 4.259 4.350 0.000 0.000 0.193 266 E C 0.489 176.777 176.600 -0.520 0.000 0.988 266 E CA 1.267 57.525 56.400 -0.237 0.000 0.828 266 E CB 0.148 29.751 29.700 -0.162 0.000 0.763 266 E HN 0.858 nan 8.360 nan 0.000 0.478 267 H N -2.606 116.253 119.070 -0.352 0.000 3.233 267 H HA 0.286 4.842 4.556 0.000 0.000 0.263 267 H C 1.095 176.342 175.328 -0.135 0.000 1.168 267 H CA 0.485 56.315 56.048 -0.362 0.000 1.159 267 H CB 1.348 30.669 29.762 -0.734 0.000 1.593 267 H HN 0.212 nan 8.280 nan 0.000 0.580 268 G N 0.452 109.257 108.800 0.009 0.000 2.328 268 G HA2 -0.316 3.644 3.960 0.000 0.000 0.256 268 G HA3 -0.316 3.644 3.960 0.000 0.000 0.256 268 G C 0.517 175.468 174.900 0.086 0.000 1.014 268 G CA 0.734 45.857 45.100 0.039 0.000 0.620 268 G HN 0.682 nan 8.290 nan 0.000 0.530 269 S N -2.000 113.788 115.700 0.147 0.000 2.565 269 S HA 0.528 4.998 4.470 0.000 0.000 0.269 269 S C 1.027 175.811 174.600 0.307 0.000 1.153 269 S CA 0.630 58.932 58.200 0.169 0.000 0.835 269 S CB 1.466 64.749 63.200 0.140 0.000 1.122 269 S HN 1.650 nan 8.310 nan 0.000 0.462 270 V N 0.213 120.229 119.914 0.171 0.000 3.380 270 V HA 0.373 4.493 4.120 0.000 0.000 0.268 270 V C 1.026 177.134 176.094 0.023 0.000 1.168 270 V CA 1.165 63.521 62.300 0.094 0.000 1.156 270 V CB -1.971 29.701 31.823 -0.252 0.000 0.785 270 V HN 1.034 nan 8.190 nan 0.000 0.487 271 K N 0.645 121.121 120.400 0.127 0.000 2.527 271 K HA 0.093 4.413 4.320 0.000 0.000 0.278 271 K C 0.832 177.514 176.600 0.136 0.000 0.981 271 K CA 0.792 57.136 56.287 0.095 0.000 1.009 271 K CB -0.816 31.754 32.500 0.118 0.000 0.895 271 K HN 0.699 nan 8.250 nan 0.000 0.493 272 D N -1.472 118.919 120.400 -0.015 0.000 2.876 272 D HA -0.165 4.475 4.640 0.000 0.000 0.196 272 D C -0.078 175.924 176.300 -0.497 0.000 1.014 272 D CA 1.002 54.959 54.000 -0.071 0.000 1.012 272 D CB -1.496 39.441 40.800 0.229 0.000 1.080 272 D HN 0.664 nan 8.370 nan 0.000 0.438 273 F N 2.533 121.908 119.950 -0.958 0.000 2.635 273 F HA 0.109 4.636 4.527 0.000 0.000 0.379 273 F C -1.595 173.727 175.800 -0.797 0.000 1.094 273 F CA -0.779 56.371 58.000 -1.416 0.000 1.300 273 F CB 0.352 38.750 39.000 -1.003 0.000 1.035 273 F HN -0.255 nan 8.300 nan 0.000 0.581 274 P HA -0.018 nan 4.420 nan 0.000 0.220 274 P C 0.529 177.471 177.300 -0.598 0.000 1.000 274 P CA 1.919 64.414 63.100 -1.009 0.000 1.063 274 P CB -0.609 30.407 31.700 -1.139 0.000 1.023 275 G N 2.460 111.064 108.800 -0.326 0.000 2.175 275 G HA2 -0.223 3.737 3.960 0.000 0.000 0.244 275 G HA3 -0.223 3.737 3.960 0.000 0.000 0.244 275 G C 0.393 175.240 174.900 -0.088 0.000 0.982 275 G CA -0.107 44.898 45.100 -0.158 0.000 0.641 275 G HN 0.799 nan 8.290 nan 0.000 0.527 276 A N 1.680 124.444 122.820 -0.093 0.000 2.666 276 A HA 0.579 4.899 4.320 0.000 0.000 0.301 276 A C 0.995 178.539 177.584 -0.067 0.000 1.470 276 A CA 0.971 52.986 52.037 -0.037 0.000 1.159 276 A CB -0.348 18.652 19.000 -0.001 0.000 1.116 276 A HN 0.987 nan 8.150 nan 0.000 0.548 277 T N 3.414 117.938 114.554 -0.051 0.000 2.972 277 T HA -0.028 4.322 4.350 0.000 0.000 0.245 277 T C 0.462 175.138 174.700 -0.041 0.000 0.977 277 T CA 0.189 62.264 62.100 -0.043 0.000 1.266 277 T CB -1.177 67.671 68.868 -0.033 0.000 0.985 277 T HN 0.694 nan 8.240 nan 0.000 0.605 278 N N 2.899 121.574 118.700 -0.042 0.000 2.357 278 N HA 0.161 4.901 4.740 0.000 0.000 0.257 278 N C 0.282 175.777 175.510 -0.025 0.000 1.250 278 N CA 0.244 53.273 53.050 -0.035 0.000 0.862 278 N CB 0.442 38.915 38.487 -0.023 0.000 1.066 278 N HN 0.678 nan 8.380 nan 0.000 0.468 279 I N -1.983 118.572 120.570 -0.026 0.000 3.294 279 I HA 0.528 4.698 4.170 0.000 0.000 0.311 279 I C 0.351 176.460 176.117 -0.013 0.000 1.111 279 I CA -0.997 60.292 61.300 -0.019 0.000 0.976 279 I CB 1.812 39.799 38.000 -0.022 0.000 1.260 279 I HN 0.286 nan 8.210 nan 0.000 0.474 280 T N -1.273 113.276 114.554 -0.008 0.000 2.902 280 T HA 0.289 4.639 4.350 0.000 0.000 0.280 280 T C 0.684 175.381 174.700 -0.005 0.000 0.992 280 T CA -0.518 61.580 62.100 -0.003 0.000 1.015 280 T CB 1.043 69.911 68.868 0.000 0.000 1.044 280 T HN 0.648 nan 8.240 nan 0.000 0.520 281 N N 0.616 119.316 118.700 -0.000 0.000 2.104 281 N HA -0.116 4.625 4.740 0.000 0.000 0.190 281 N C 1.748 177.259 175.510 0.002 0.000 1.024 281 N CA 1.069 54.120 53.050 0.002 0.000 0.853 281 N CB -0.270 38.222 38.487 0.008 0.000 1.008 281 N HN 0.639 nan 8.380 nan 0.000 0.424 282 E N 0.787 120.989 120.200 0.003 0.000 2.208 282 E HA -0.104 4.246 4.350 0.000 0.000 0.193 282 E C 1.576 178.176 176.600 0.000 0.000 0.988 282 E CA 0.458 56.859 56.400 0.002 0.000 0.828 282 E CB -0.005 29.697 29.700 0.003 0.000 0.763 282 E HN 0.530 nan 8.360 nan 0.000 0.478 283 E N 0.665 120.863 120.200 -0.002 0.000 2.106 283 E HA -0.130 4.220 4.350 0.000 0.000 0.192 283 E C 2.193 178.789 176.600 -0.007 0.000 0.984 283 E CA 0.416 56.813 56.400 -0.005 0.000 0.806 283 E CB -0.022 29.673 29.700 -0.007 0.000 0.750 283 E HN 0.131 nan 8.360 nan 0.000 0.458 284 L N 0.609 121.827 121.223 -0.008 0.000 2.056 284 L HA -0.165 4.175 4.340 0.000 0.000 0.207 284 L C 2.079 178.947 176.870 -0.003 0.000 1.078 284 L CA 0.953 55.788 54.840 -0.008 0.000 0.749 284 L CB 0.040 42.093 42.059 -0.010 0.000 0.901 284 L HN 0.148 nan 8.230 nan 0.000 0.433 285 L N -0.946 120.277 121.223 0.000 0.000 2.109 285 L HA -0.131 4.209 4.340 0.000 0.000 0.207 285 L C 1.617 178.489 176.870 0.003 0.000 1.086 285 L CA 0.976 55.818 54.840 0.003 0.000 0.760 285 L CB -0.367 41.694 42.059 0.005 0.000 0.910 285 L HN 0.225 nan 8.230 nan 0.000 0.437 286 E N 0.448 120.649 120.200 0.001 0.000 2.368 286 E HA 0.059 4.409 4.350 0.000 0.000 0.188 286 E C -0.208 176.392 176.600 -0.000 0.000 1.061 286 E CA -0.340 56.061 56.400 0.001 0.000 0.933 286 E CB 0.324 30.025 29.700 0.001 0.000 1.091 286 E HN 0.079 nan 8.360 nan 0.000 0.458 287 L N 1.891 123.113 121.223 -0.002 0.000 2.349 287 L HA 0.107 4.447 4.340 0.000 0.000 0.275 287 L C 0.258 177.127 176.870 -0.002 0.000 1.115 287 L CA -0.042 54.796 54.840 -0.004 0.000 0.820 287 L CB 0.925 42.980 42.059 -0.007 0.000 1.135 287 L HN -0.033 nan 8.230 nan 0.000 0.445 288 E N 4.805 125.004 120.200 -0.002 0.000 2.029 288 E HA 0.364 4.714 4.350 0.000 0.000 0.276 288 E C -0.929 175.670 176.600 -0.002 0.000 1.163 288 E CA -0.110 56.289 56.400 -0.000 0.000 0.909 288 E CB 0.366 30.066 29.700 0.000 0.000 1.046 288 E HN 0.532 nan 8.360 nan 0.000 0.406 289 V N 1.101 121.014 119.914 -0.002 0.000 3.139 289 V HA 0.343 4.463 4.120 0.000 0.000 0.310 289 V C 0.745 176.837 176.094 -0.002 0.000 1.260 289 V CA -0.605 61.693 62.300 -0.004 0.000 1.064 289 V CB 1.396 33.216 31.823 -0.006 0.000 1.160 289 V HN 0.513 nan 8.190 nan 0.000 0.470 290 D N -0.231 120.165 120.400 -0.005 0.000 2.214 290 D HA 0.046 4.686 4.640 0.000 0.000 0.217 290 D C 0.356 176.651 176.300 -0.009 0.000 0.973 290 D CA 1.044 55.041 54.000 -0.006 0.000 0.880 290 D CB 0.362 41.156 40.800 -0.009 0.000 1.031 290 D HN 0.381 nan 8.370 nan 0.000 0.468 291 V N 1.834 121.739 119.914 -0.015 0.000 2.370 291 V HA 0.385 4.505 4.120 0.000 0.000 0.283 291 V C -0.450 175.636 176.094 -0.014 0.000 1.023 291 V CA -0.874 61.413 62.300 -0.020 0.000 0.857 291 V CB 1.298 33.101 31.823 -0.034 0.000 0.985 291 V HN 0.264 nan 8.190 nan 0.000 0.443 292 L N 5.276 126.493 121.223 -0.010 0.000 2.296 292 L HA 0.877 5.217 4.340 0.000 0.000 0.286 292 L C 0.233 177.099 176.870 -0.007 0.000 1.023 292 L CA 0.004 54.841 54.840 -0.005 0.000 0.812 292 L CB 1.438 43.498 42.059 0.001 0.000 1.223 292 L HN 0.670 nan 8.230 nan 0.000 0.421 293 A N 6.649 129.466 122.820 -0.005 0.000 2.644 293 A HA 0.589 4.909 4.320 0.000 0.000 0.343 293 A C -2.466 175.121 177.584 0.006 0.000 1.324 293 A CA -1.420 50.613 52.037 -0.006 0.000 0.846 293 A CB -0.178 18.812 19.000 -0.015 0.000 1.128 293 A HN 0.588 nan 8.150 nan 0.000 0.484 294 P HA 0.022 nan 4.420 nan 0.000 0.248 294 P C 0.483 177.790 177.300 0.012 0.000 1.254 294 P CA 0.710 63.818 63.100 0.012 0.000 1.252 294 P CB 0.096 31.802 31.700 0.010 0.000 1.465 295 A N 2.612 125.444 122.820 0.020 0.000 2.579 295 A HA 0.536 4.856 4.320 0.000 0.000 0.273 295 A C 0.698 178.299 177.584 0.028 0.000 1.363 295 A CA -0.061 51.987 52.037 0.019 0.000 0.953 295 A CB -0.305 18.708 19.000 0.022 0.000 1.034 295 A HN 0.525 nan 8.150 nan 0.000 0.536 296 A N -0.388 122.447 122.820 0.024 0.000 2.532 296 A HA 0.593 4.913 4.320 0.000 0.000 0.296 296 A C -0.248 177.346 177.584 0.017 0.000 1.058 296 A CA -0.211 51.842 52.037 0.026 0.000 0.729 296 A CB 0.115 19.140 19.000 0.041 0.000 1.285 296 A HN 1.607 nan 8.150 nan 0.000 0.396 297 I N 0.282 120.859 120.570 0.012 0.000 8.627 297 I HA -0.200 3.970 4.170 0.000 0.000 0.126 297 I C 0.606 176.723 176.117 0.001 0.000 1.766 297 I CA 1.177 62.481 61.300 0.007 0.000 2.166 297 I CB 0.449 38.458 38.000 0.015 0.000 3.699 297 I HN 1.009 nan 8.210 nan 0.000 0.207 298 E N 7.582 127.778 120.200 -0.005 0.000 2.343 298 E HA 0.233 4.583 4.350 0.000 0.000 0.269 298 E C -0.212 176.384 176.600 -0.006 0.000 1.047 298 E CA 0.018 56.410 56.400 -0.013 0.000 0.874 298 E CB 0.811 30.496 29.700 -0.025 0.000 1.033 298 E HN 0.591 nan 8.360 nan 0.000 0.409 299 E N 0.201 120.396 120.200 -0.009 0.000 2.246 299 E HA -0.197 4.153 4.350 0.000 0.000 0.173 299 E C 0.592 177.193 176.600 0.001 0.000 1.532 299 E CA 0.681 57.079 56.400 -0.004 0.000 0.672 299 E CB -1.480 28.218 29.700 -0.004 0.000 1.078 299 E HN 0.544 nan 8.360 nan 0.000 0.338 300 V N -2.497 117.418 119.914 0.002 0.000 3.523 300 V HA 0.243 4.363 4.120 0.000 0.000 0.255 300 V C 0.912 177.009 176.094 0.005 0.000 1.226 300 V CA 0.279 62.582 62.300 0.006 0.000 1.092 300 V CB 0.228 32.056 31.823 0.008 0.000 0.817 300 V HN 0.342 nan 8.190 nan 0.000 0.458 301 I N 3.361 123.933 120.570 0.003 0.000 2.337 301 I HA 0.449 4.620 4.170 0.000 0.000 0.285 301 I C 0.663 176.779 176.117 -0.002 0.000 1.041 301 I CA 0.055 61.356 61.300 0.002 0.000 1.199 301 I CB 1.297 39.300 38.000 0.005 0.000 1.370 301 I HN 0.356 nan 8.210 nan 0.000 0.470 302 T N 0.553 115.105 114.554 -0.003 0.000 2.849 302 T HA 0.418 4.768 4.350 0.000 0.000 0.272 302 T C 1.463 176.157 174.700 -0.008 0.000 1.046 302 T CA 0.279 62.375 62.100 -0.007 0.000 0.983 302 T CB 0.607 69.472 68.868 -0.004 0.000 1.721 302 T HN 0.455 nan 8.240 nan 0.000 0.594 303 E N 0.267 120.462 120.200 -0.009 0.000 2.085 303 E HA -0.088 4.262 4.350 0.000 0.000 0.194 303 E C 1.760 178.357 176.600 -0.005 0.000 0.994 303 E CA 1.174 57.569 56.400 -0.009 0.000 0.801 303 E CB -0.838 28.857 29.700 -0.009 0.000 0.743 303 E HN 0.476 nan 8.360 nan 0.000 0.453 304 K N 1.007 121.406 120.400 -0.003 0.000 3.025 304 K HA -0.004 4.316 4.320 0.000 0.000 0.260 304 K C 0.097 176.697 176.600 0.001 0.000 1.023 304 K CA 0.818 57.105 56.287 -0.000 0.000 1.194 304 K CB -0.189 32.311 32.500 0.001 0.000 1.094 304 K HN 0.683 nan 8.250 nan 0.000 0.460 305 N N -3.578 115.122 118.700 -0.000 0.000 1.912 305 N HA -0.035 4.705 4.740 0.000 0.000 0.255 305 N C 1.078 176.588 175.510 0.001 0.000 1.405 305 N CA 0.435 53.486 53.050 0.001 0.000 0.728 305 N CB -0.534 37.955 38.487 0.002 0.000 1.236 305 N HN -0.073 nan 8.380 nan 0.000 0.600 306 A N 1.213 124.032 122.820 -0.000 0.000 1.972 306 A HA -0.083 4.237 4.320 0.000 0.000 0.219 306 A C 1.348 178.933 177.584 0.002 0.000 1.169 306 A CA 2.018 54.055 52.037 0.000 0.000 0.635 306 A CB -0.859 18.137 19.000 -0.006 0.000 0.810 306 A HN 0.393 nan 8.150 nan 0.000 0.446 307 D N -0.177 120.224 120.400 0.002 0.000 2.350 307 D HA -0.067 4.573 4.640 0.000 0.000 0.216 307 D C 0.892 177.195 176.300 0.005 0.000 0.968 307 D CA 0.748 54.750 54.000 0.003 0.000 0.894 307 D CB -0.043 40.758 40.800 0.002 0.000 0.909 307 D HN 0.294 nan 8.370 nan 0.000 0.520 308 N N 0.233 118.935 118.700 0.004 0.000 2.238 308 N HA 0.073 4.813 4.740 0.000 0.000 0.222 308 N C -0.601 174.912 175.510 0.006 0.000 1.133 308 N CA -0.072 52.981 53.050 0.005 0.000 0.854 308 N CB 0.579 39.068 38.487 0.003 0.000 1.041 308 N HN 0.095 nan 8.380 nan 0.000 0.510 309 I N 1.352 121.926 120.570 0.007 0.000 2.371 309 I HA 0.104 4.274 4.170 0.000 0.000 0.290 309 I C 1.335 177.458 176.117 0.011 0.000 1.028 309 I CA 0.031 61.336 61.300 0.009 0.000 1.345 309 I CB 1.191 39.197 38.000 0.011 0.000 1.407 309 I HN -0.152 nan 8.210 nan 0.000 0.501 310 K N 4.161 124.567 120.400 0.009 0.000 2.370 310 K HA 0.267 4.587 4.320 0.000 0.000 0.194 310 K C 0.685 177.291 176.600 0.010 0.000 1.070 310 K CA 0.064 56.356 56.287 0.009 0.000 0.998 310 K CB 0.334 32.837 32.500 0.006 0.000 0.911 310 K HN 0.603 nan 8.250 nan 0.000 0.533 311 A N 2.142 124.968 122.820 0.009 0.000 2.498 311 A HA 0.048 4.368 4.320 0.000 0.000 0.239 311 A C 0.803 178.395 177.584 0.014 0.000 1.068 311 A CA 0.054 52.095 52.037 0.008 0.000 0.766 311 A CB 0.339 19.342 19.000 0.005 0.000 1.003 311 A HN 0.071 nan 8.150 nan 0.000 0.497 312 K N 0.879 121.287 120.400 0.013 0.000 2.148 312 K HA 0.056 4.376 4.320 0.000 0.000 0.204 312 K C -0.107 176.507 176.600 0.024 0.000 1.050 312 K CA 1.252 57.552 56.287 0.022 0.000 0.942 312 K CB -0.128 32.383 32.500 0.019 0.000 0.724 312 K HN 0.697 nan 8.250 nan 0.000 0.446 313 I N 0.642 121.219 120.570 0.011 0.000 2.447 313 I HA 0.168 4.338 4.170 0.000 0.000 0.287 313 I C -1.154 174.964 176.117 0.001 0.000 1.023 313 I CA -0.958 60.345 61.300 0.005 0.000 1.083 313 I CB 2.352 40.340 38.000 -0.020 0.000 1.245 313 I HN -0.356 nan 8.210 nan 0.000 0.434 314 V N 5.779 125.699 119.914 0.010 0.000 2.311 314 V HA 0.500 4.620 4.120 0.000 0.000 0.275 314 V C 0.481 176.575 176.094 0.001 0.000 1.022 314 V CA -0.500 61.805 62.300 0.009 0.000 0.830 314 V CB 1.225 33.063 31.823 0.024 0.000 1.012 314 V HN 0.809 nan 8.190 nan 0.000 0.452 315 A N 4.159 126.972 122.820 -0.013 0.000 2.366 315 A HA 0.478 4.798 4.320 0.000 0.000 0.322 315 A C 0.398 177.973 177.584 -0.015 0.000 1.397 315 A CA -0.498 51.525 52.037 -0.023 0.000 0.984 315 A CB -0.099 18.874 19.000 -0.046 0.000 1.149 315 A HN 0.857 nan 8.150 nan 0.000 0.540 316 E N 2.909 123.105 120.200 -0.007 0.000 1.999 316 E HA 0.119 4.469 4.350 0.000 0.000 0.296 316 E C 0.796 177.393 176.600 -0.006 0.000 1.187 316 E CA -0.344 56.056 56.400 -0.000 0.000 1.229 316 E CB 0.177 29.885 29.700 0.013 0.000 1.131 316 E HN 0.545 nan 8.360 nan 0.000 0.478 317 V N 1.509 121.415 119.914 -0.013 0.000 2.295 317 V HA -0.229 3.891 4.120 0.000 0.000 0.246 317 V C 1.297 177.386 176.094 -0.009 0.000 1.049 317 V CA 1.700 63.989 62.300 -0.017 0.000 1.024 317 V CB -0.445 31.364 31.823 -0.023 0.000 0.648 317 V HN 0.582 nan 8.190 nan 0.000 0.447 318 A N 0.805 123.622 122.820 -0.005 0.000 2.425 318 A HA 0.182 4.502 4.320 0.000 0.000 0.242 318 A C 0.358 177.937 177.584 -0.008 0.000 1.077 318 A CA -0.133 51.901 52.037 -0.005 0.000 0.781 318 A CB -0.152 18.848 19.000 -0.001 0.000 1.020 318 A HN 0.507 nan 8.150 nan 0.000 0.494 319 N N 0.172 118.860 118.700 -0.019 0.000 2.472 319 N HA 0.395 5.135 4.740 0.000 0.000 0.277 319 N C 0.919 176.398 175.510 -0.052 0.000 1.081 319 N CA 1.227 54.256 53.050 -0.035 0.000 0.973 319 N CB 1.332 39.785 38.487 -0.058 0.000 1.105 319 N HN 1.222 nan 8.380 nan 0.000 0.470 320 G N 3.233 112.001 108.800 -0.053 0.000 2.143 320 G HA2 -0.186 3.774 3.960 0.000 0.000 0.248 320 G HA3 -0.186 3.774 3.960 0.000 0.000 0.248 320 G C -1.511 173.372 174.900 -0.028 0.000 0.991 320 G CA -0.179 44.884 45.100 -0.061 0.000 0.689 320 G HN 0.491 nan 8.290 nan 0.000 0.522 321 P HA 0.096 nan 4.420 nan 0.000 0.216 321 P C 0.896 178.196 177.300 -0.000 0.000 1.153 321 P CA 1.114 64.212 63.100 -0.003 0.000 0.848 321 P CB 0.214 31.916 31.700 0.004 0.000 0.787 322 V N 0.856 120.774 119.914 0.006 0.000 2.407 322 V HA 0.220 4.340 4.120 0.000 0.000 0.278 322 V C 0.495 176.586 176.094 -0.005 0.000 1.037 322 V CA -0.392 61.911 62.300 0.006 0.000 0.900 322 V CB 0.898 32.736 31.823 0.024 0.000 0.983 322 V HN 0.036 nan 8.190 nan 0.000 0.459 323 T N 5.119 119.664 114.554 -0.016 0.000 2.847 323 T HA 0.288 4.638 4.350 0.000 0.000 0.279 323 T C -1.877 172.796 174.700 -0.045 0.000 0.984 323 T CA -1.526 60.559 62.100 -0.025 0.000 0.988 323 T CB 1.375 70.231 68.868 -0.021 0.000 1.040 323 T HN 0.394 nan 8.240 nan 0.000 0.528 324 P HA -0.061 nan 4.420 nan 0.000 0.217 324 P C 1.332 178.576 177.300 -0.093 0.000 1.150 324 P CA 1.020 64.072 63.100 -0.081 0.000 0.832 324 P CB 0.120 31.783 31.700 -0.061 0.000 0.787 325 E N -0.121 120.042 120.200 -0.060 0.000 2.077 325 E HA -0.148 4.202 4.350 0.000 0.000 0.193 325 E C 2.133 178.699 176.600 -0.056 0.000 0.989 325 E CA 1.213 57.581 56.400 -0.053 0.000 0.800 325 E CB -0.723 28.958 29.700 -0.033 0.000 0.746 325 E HN 0.139 nan 8.360 nan 0.000 0.452 326 A N 2.112 124.903 122.820 -0.048 0.000 1.917 326 A HA -0.268 4.053 4.320 0.000 0.000 0.219 326 A C 1.733 179.279 177.584 -0.063 0.000 1.182 326 A CA 1.962 53.976 52.037 -0.040 0.000 0.633 326 A CB -0.497 18.489 19.000 -0.024 0.000 0.819 326 A HN 0.107 nan 8.150 nan 0.000 0.448 327 D N 0.527 120.857 120.400 -0.116 0.000 2.103 327 D HA -0.156 4.484 4.640 0.000 0.000 0.190 327 D C 1.534 177.680 176.300 -0.257 0.000 0.997 327 D CA 1.658 55.509 54.000 -0.249 0.000 0.833 327 D CB -0.520 40.018 40.800 -0.437 0.000 0.961 327 D HN 0.514 nan 8.370 nan 0.000 0.447 328 D N 0.393 120.672 120.400 -0.203 0.000 2.117 328 D HA -0.111 4.529 4.640 0.000 0.000 0.197 328 D C 2.426 178.688 176.300 -0.065 0.000 0.987 328 D CA 0.460 54.377 54.000 -0.139 0.000 0.829 328 D CB -0.168 40.576 40.800 -0.093 0.000 0.961 328 D HN 0.288 nan 8.370 nan 0.000 0.460 329 I N 1.115 121.656 120.570 -0.049 0.000 2.118 329 I HA -0.289 3.881 4.170 0.000 0.000 0.241 329 I C 2.618 178.734 176.117 -0.001 0.000 1.070 329 I CA 1.041 62.330 61.300 -0.019 0.000 1.327 329 I CB -0.316 37.675 38.000 -0.016 0.000 1.034 329 I HN -0.032 nan 8.210 nan 0.000 0.405 330 L N -0.041 121.183 121.223 0.002 0.000 2.046 330 L HA -0.203 4.137 4.340 0.000 0.000 0.208 330 L C 2.806 179.720 176.870 0.073 0.000 1.077 330 L CA 1.222 56.085 54.840 0.039 0.000 0.747 330 L CB -0.681 41.410 42.059 0.054 0.000 0.896 330 L HN 0.241 nan 8.230 nan 0.000 0.432 331 R N 0.648 121.205 120.500 0.095 0.000 2.083 331 R HA -0.213 4.127 4.340 0.000 0.000 0.237 331 R C 2.048 178.400 176.300 0.086 0.000 1.137 331 R CA 1.896 58.087 56.100 0.152 0.000 0.951 331 R CB -0.024 30.409 30.300 0.220 0.000 0.851 331 R HN 0.315 nan 8.270 nan 0.000 0.434 332 E N -0.139 120.089 120.200 0.047 0.000 2.285 332 E HA -0.101 4.250 4.350 0.000 0.000 0.194 332 E C 1.692 178.310 176.600 0.030 0.000 0.997 332 E CA 0.756 57.175 56.400 0.031 0.000 0.845 332 E CB 0.161 29.869 29.700 0.014 0.000 0.782 332 E HN 0.143 nan 8.360 nan 0.000 0.491 333 K N -0.889 119.530 120.400 0.032 0.000 2.211 333 K HA -0.064 4.256 4.320 0.000 0.000 0.203 333 K C 1.085 177.709 176.600 0.039 0.000 1.050 333 K CA 1.127 57.433 56.287 0.031 0.000 0.945 333 K CB 0.080 32.597 32.500 0.029 0.000 0.732 333 K HN 0.234 nan 8.250 nan 0.000 0.451 334 G N -0.193 108.639 108.800 0.054 0.000 2.176 334 G HA2 -0.219 3.741 3.960 0.000 0.000 0.232 334 G HA3 -0.219 3.741 3.960 0.000 0.000 0.232 334 G C 0.072 175.016 174.900 0.073 0.000 0.986 334 G CA 0.036 45.174 45.100 0.064 0.000 0.643 334 G HN 0.202 nan 8.290 nan 0.000 0.522 335 I N 1.267 121.878 120.570 0.069 0.000 2.471 335 I HA 0.304 4.474 4.170 0.000 0.000 0.286 335 I C 0.548 176.714 176.117 0.082 0.000 1.079 335 I CA -0.598 60.742 61.300 0.067 0.000 1.398 335 I CB 1.123 39.156 38.000 0.055 0.000 1.403 335 I HN 0.088 nan 8.210 nan 0.000 0.530 336 L N 7.991 129.256 121.223 0.071 0.000 2.268 336 L HA 0.242 4.582 4.340 0.000 0.000 0.289 336 L C -0.179 176.708 176.870 0.029 0.000 1.064 336 L CA 0.144 55.017 54.840 0.056 0.000 0.824 336 L CB 0.485 42.601 42.059 0.094 0.000 1.202 336 L HN 0.519 nan 8.230 nan 0.000 0.433 337 Q N 4.926 124.730 119.800 0.007 0.000 2.286 337 Q HA 0.422 4.762 4.340 0.000 0.000 0.257 337 Q C -0.699 175.273 176.000 -0.046 0.000 0.941 337 Q CA 0.006 55.811 55.803 0.004 0.000 0.912 337 Q CB 1.545 30.322 28.738 0.065 0.000 1.192 337 Q HN 0.609 nan 8.270 nan 0.000 0.410 338 I N 5.217 125.784 120.570 -0.006 0.000 2.281 338 I HA 0.210 4.380 4.170 0.000 0.000 0.293 338 I C -2.035 174.059 176.117 -0.037 0.000 1.085 338 I CA -2.252 59.047 61.300 -0.001 0.000 1.257 338 I CB 0.233 38.255 38.000 0.036 0.000 1.430 338 I HN 0.309 nan 8.210 nan 0.000 0.489 339 P HA -0.056 nan 4.420 nan 0.000 0.265 339 P C 0.157 177.434 177.300 -0.038 0.000 1.187 339 P CA 0.018 63.093 63.100 -0.041 0.000 0.766 339 P CB 0.576 32.228 31.700 -0.080 0.000 0.820 340 D N 4.187 124.617 120.400 0.049 0.000 2.177 340 D HA -0.285 4.355 4.640 0.000 0.000 0.189 340 D C 1.509 177.858 176.300 0.083 0.000 1.002 340 D CA 1.855 55.891 54.000 0.058 0.000 0.845 340 D CB -1.640 39.198 40.800 0.063 0.000 0.960 340 D HN 0.527 nan 8.370 nan 0.000 0.447 341 F N -0.040 119.884 119.950 -0.043 0.000 2.641 341 F HA 0.178 4.705 4.527 0.000 0.000 0.298 341 F C 1.913 177.697 175.800 -0.027 0.000 1.146 341 F CA 0.165 58.141 58.000 -0.040 0.000 1.464 341 F CB -0.340 38.628 39.000 -0.055 0.000 1.101 341 F HN 0.097 nan 8.300 nan 0.000 0.585 342 L N -0.426 120.559 121.223 -0.398 0.000 2.316 342 L HA 0.148 4.488 4.340 0.000 0.000 0.207 342 L C 2.189 178.995 176.870 -0.107 0.000 1.070 342 L CA 1.198 55.849 54.840 -0.316 0.000 0.820 342 L CB -0.818 40.990 42.059 -0.419 0.000 0.992 342 L HN 0.310 nan 8.230 nan 0.000 0.466 343 C N 1.728 120.983 119.300 -0.076 0.000 2.457 343 C HA 0.026 4.486 4.460 0.000 0.000 0.278 343 C C 2.165 177.144 174.990 -0.018 0.000 1.309 343 C CA 1.024 60.023 59.018 -0.032 0.000 1.735 343 C CB -1.365 26.357 27.740 -0.028 0.000 1.992 343 C HN 0.885 nan 8.230 nan 0.000 0.493 344 N N 0.733 119.430 118.700 -0.004 0.000 2.235 344 N HA 0.265 5.005 4.740 0.000 0.000 0.209 344 N C 1.000 176.518 175.510 0.014 0.000 1.122 344 N CA 0.792 53.843 53.050 0.001 0.000 0.845 344 N CB -0.411 38.078 38.487 0.003 0.000 1.004 344 N HN 0.363 nan 8.380 nan 0.000 0.499 345 A N 0.274 123.107 122.820 0.022 0.000 2.172 345 A HA 0.147 4.467 4.320 0.000 0.000 0.216 345 A C 2.157 179.752 177.584 0.018 0.000 1.154 345 A CA 1.009 53.064 52.037 0.030 0.000 0.701 345 A CB -1.194 17.823 19.000 0.028 0.000 0.789 345 A HN 0.416 nan 8.150 nan 0.000 0.465 346 G N -0.179 108.635 108.800 0.024 0.000 2.462 346 G HA2 -0.034 3.926 3.960 0.000 0.000 0.220 346 G HA3 -0.034 3.926 3.960 0.000 0.000 0.220 346 G C 1.410 176.315 174.900 0.007 0.000 1.121 346 G CA 1.188 46.310 45.100 0.038 0.000 0.758 346 G HN 0.629 nan 8.290 nan 0.000 0.559 347 G N 0.020 108.817 108.800 -0.006 0.000 2.404 347 G HA2 -0.127 3.833 3.960 0.000 0.000 0.215 347 G HA3 -0.127 3.833 3.960 0.000 0.000 0.215 347 G C 1.716 176.607 174.900 -0.016 0.000 1.174 347 G CA 1.030 46.120 45.100 -0.016 0.000 0.780 347 G HN 0.359 nan 8.290 nan 0.000 0.537 348 V N 0.891 120.802 119.914 -0.005 0.000 2.667 348 V HA -0.078 4.042 4.120 0.000 0.000 0.252 348 V C 2.936 179.022 176.094 -0.015 0.000 1.065 348 V CA 2.584 64.889 62.300 0.009 0.000 1.083 348 V CB -0.532 31.311 31.823 0.033 0.000 0.692 348 V HN 0.397 nan 8.190 nan 0.000 0.468 349 T N -0.139 114.367 114.554 -0.079 0.000 2.701 349 T HA -0.144 4.206 4.350 0.000 0.000 0.263 349 T C 1.838 176.244 174.700 -0.491 0.000 1.040 349 T CA 1.781 63.732 62.100 -0.247 0.000 1.147 349 T CB -0.262 68.485 68.868 -0.201 0.000 0.865 349 T HN 0.357 nan 8.240 nan 0.000 0.426 350 V N 2.356 122.130 119.914 -0.234 0.000 2.720 350 V HA -0.145 3.975 4.120 0.000 0.000 0.256 350 V C 2.743 178.820 176.094 -0.029 0.000 1.082 350 V CA 1.817 64.076 62.300 -0.068 0.000 1.101 350 V CB -0.837 31.034 31.823 0.080 0.000 0.693 350 V HN 0.668 nan 8.190 nan 0.000 0.479 351 S N -0.594 115.093 115.700 -0.020 0.000 2.414 351 S HA -0.198 4.272 4.470 0.000 0.000 0.227 351 S C 2.022 176.717 174.600 0.158 0.000 1.022 351 S CA 1.031 59.261 58.200 0.050 0.000 0.958 351 S CB -0.624 62.600 63.200 0.039 0.000 0.797 351 S HN 0.607 nan 8.310 nan 0.000 0.493 352 Y N 2.200 122.509 120.300 0.014 0.000 2.165 352 Y HA -0.083 4.467 4.550 0.000 0.000 0.286 352 Y C 1.667 177.673 175.900 0.176 0.000 1.155 352 Y CA 1.196 59.339 58.100 0.073 0.000 1.164 352 Y CB -0.867 37.457 38.460 -0.227 0.000 0.978 352 Y HN 0.248 nan 8.280 nan 0.000 0.513 353 F N 0.981 120.821 119.950 -0.184 0.000 2.171 353 F HA -0.133 4.394 4.527 0.000 0.000 0.300 353 F C 2.605 178.074 175.800 -0.552 0.000 1.090 353 F CA 1.448 59.133 58.000 -0.526 0.000 1.293 353 F CB -1.331 37.412 39.000 -0.428 0.000 1.013 353 F HN 0.266 nan 8.300 nan 0.000 0.486 354 E N -0.741 119.418 120.200 -0.068 0.000 2.077 354 E HA -0.289 4.061 4.350 0.000 0.000 0.193 354 E C 2.255 178.839 176.600 -0.027 0.000 0.989 354 E CA 1.659 58.020 56.400 -0.065 0.000 0.800 354 E CB -0.554 29.158 29.700 0.020 0.000 0.746 354 E HN 0.436 nan 8.360 nan 0.000 0.452 355 W N 0.505 121.734 121.300 -0.118 0.000 2.381 355 W HA -0.167 4.493 4.660 0.000 0.000 0.301 355 W C 1.907 178.331 176.519 -0.159 0.000 1.205 355 W CA 1.502 58.794 57.345 -0.089 0.000 1.285 355 W CB -0.404 29.080 29.460 0.040 0.000 1.133 355 W HN -0.064 nan 8.180 nan 0.000 0.521 356 V N 1.071 120.841 119.914 -0.239 0.000 2.343 356 V HA -0.361 3.759 4.120 0.000 0.000 0.247 356 V C 2.300 178.168 176.094 -0.378 0.000 1.051 356 V CA 2.462 64.528 62.300 -0.390 0.000 1.036 356 V CB -1.128 30.558 31.823 -0.228 0.000 0.654 356 V HN 0.263 nan 8.190 nan 0.000 0.451 357 Q N -0.052 119.450 119.800 -0.497 0.000 2.170 357 Q HA -0.219 4.121 4.340 0.000 0.000 0.203 357 Q C 2.068 177.682 176.000 -0.643 0.000 0.976 357 Q CA 2.006 57.408 55.803 -0.669 0.000 0.858 357 Q CB -0.285 27.899 28.738 -0.923 0.000 0.907 357 Q HN 0.769 nan 8.270 nan 0.000 0.433 358 N N 0.451 118.928 118.700 -0.371 0.000 2.109 358 N HA -0.093 4.647 4.740 0.000 0.000 0.188 358 N C 1.920 177.291 175.510 -0.230 0.000 1.034 358 N CA 1.229 54.188 53.050 -0.152 0.000 0.846 358 N CB -0.169 38.324 38.487 0.009 0.000 1.010 358 N HN 0.297 nan 8.380 nan 0.000 0.425 359 I N -1.681 118.636 120.570 -0.422 0.000 2.830 359 I HA -0.024 4.146 4.170 0.000 0.000 0.263 359 I C 0.713 176.722 176.117 -0.179 0.000 1.230 359 I CA 1.390 62.481 61.300 -0.348 0.000 1.480 359 I CB -0.211 37.406 38.000 -0.638 0.000 1.095 359 I HN 0.059 nan 8.210 nan 0.000 0.455 360 N N 0.959 119.542 118.700 -0.194 0.000 2.299 360 N HA 0.213 4.953 4.740 0.000 0.000 0.187 360 N C 1.169 176.655 175.510 -0.040 0.000 1.099 360 N CA 0.485 53.485 53.050 -0.084 0.000 0.867 360 N CB 0.576 39.033 38.487 -0.050 0.000 0.974 360 N HN 0.529 nan 8.380 nan 0.000 0.477 361 G N 1.017 109.758 108.800 -0.098 0.000 2.225 361 G HA2 -0.325 3.635 3.960 0.000 0.000 0.267 361 G HA3 -0.325 3.635 3.960 0.000 0.000 0.267 361 G C -0.593 174.336 174.900 0.050 0.000 1.024 361 G CA 0.418 45.507 45.100 -0.018 0.000 0.784 361 G HN 0.485 nan 8.290 nan 0.000 0.507 362 Y N -0.677 119.449 120.300 -0.290 0.000 2.401 362 Y HA 0.588 5.138 4.550 0.000 0.000 0.330 362 Y C -0.758 174.932 175.900 -0.350 0.000 1.071 362 Y CA -1.528 56.489 58.100 -0.137 0.000 1.049 362 Y CB 1.224 39.678 38.460 -0.010 0.000 1.239 362 Y HN 0.140 nan 8.280 nan 0.000 0.437 363 Y N 4.143 124.322 120.300 -0.201 0.000 2.360 363 Y HA 0.376 4.926 4.550 0.000 0.000 0.337 363 Y C -0.507 175.449 175.900 0.093 0.000 1.039 363 Y CA -0.887 57.154 58.100 -0.098 0.000 1.109 363 Y CB 0.780 39.158 38.460 -0.137 0.000 1.201 363 Y HN 0.513 nan 8.280 nan 0.000 0.458 364 W N 1.035 122.347 121.300 0.020 0.000 2.030 364 W HA 0.457 5.117 4.660 0.000 0.000 0.371 364 W C 0.481 177.010 176.519 0.018 0.000 1.456 364 W CA -1.330 56.022 57.345 0.011 0.000 1.570 364 W CB -0.153 29.277 29.460 -0.049 0.000 1.249 364 W HN 0.472 nan 8.180 nan 0.000 0.677 365 T N -2.449 112.271 114.554 0.277 0.000 2.912 365 T HA 0.213 4.563 4.350 0.000 0.000 0.280 365 T C 0.837 175.619 174.700 0.138 0.000 0.989 365 T CA -0.347 61.844 62.100 0.151 0.000 0.995 365 T CB 1.678 70.607 68.868 0.101 0.000 1.077 365 T HN 0.369 nan 8.240 nan 0.000 0.531 366 E N 0.310 120.565 120.200 0.091 0.000 2.171 366 E HA -0.168 4.182 4.350 0.000 0.000 0.197 366 E C 1.696 178.350 176.600 0.090 0.000 0.997 366 E CA 1.696 58.144 56.400 0.080 0.000 0.810 366 E CB -0.219 29.513 29.700 0.054 0.000 0.738 366 E HN 0.764 nan 8.360 nan 0.000 0.467 367 E N -0.009 120.238 120.200 0.079 0.000 2.122 367 E HA -0.032 4.318 4.350 0.000 0.000 0.190 367 E C 1.857 178.492 176.600 0.058 0.000 0.977 367 E CA 0.933 57.373 56.400 0.066 0.000 0.820 367 E CB -0.048 29.678 29.700 0.044 0.000 0.770 367 E HN 0.369 nan 8.360 nan 0.000 0.462 368 E N 0.271 120.509 120.200 0.062 0.000 2.051 368 E HA -0.138 4.212 4.350 0.000 0.000 0.192 368 E C 2.047 178.684 176.600 0.061 0.000 0.991 368 E CA 1.263 57.669 56.400 0.010 0.000 0.799 368 E CB -0.054 29.652 29.700 0.010 0.000 0.748 368 E HN 0.033 nan 8.360 nan 0.000 0.449 369 V N 1.307 121.350 119.914 0.215 0.000 2.332 369 V HA -0.288 3.832 4.120 0.000 0.000 0.248 369 V C 2.291 178.506 176.094 0.202 0.000 1.055 369 V CA 1.836 64.277 62.300 0.236 0.000 1.038 369 V CB -0.468 31.492 31.823 0.228 0.000 0.651 369 V HN 0.209 nan 8.190 nan 0.000 0.450 370 R N -0.502 120.105 120.500 0.178 0.000 2.090 370 R HA -0.110 4.230 4.340 0.000 0.000 0.228 370 R C 2.352 178.741 176.300 0.147 0.000 1.110 370 R CA 1.293 57.529 56.100 0.227 0.000 0.973 370 R CB -0.225 30.209 30.300 0.222 0.000 0.869 370 R HN 0.631 nan 8.270 nan 0.000 0.440 371 E N 0.656 120.888 120.200 0.053 0.000 2.049 371 E HA -0.247 4.103 4.350 0.000 0.000 0.198 371 E C 1.935 178.506 176.600 -0.048 0.000 1.007 371 E CA 1.607 57.989 56.400 -0.030 0.000 0.809 371 E CB 0.003 29.666 29.700 -0.061 0.000 0.749 371 E HN 0.074 nan 8.360 nan 0.000 0.450 372 K N 0.324 120.695 120.400 -0.049 0.000 2.097 372 K HA -0.127 4.193 4.320 0.000 0.000 0.206 372 K C 1.964 178.728 176.600 0.274 0.000 1.049 372 K CA 0.546 56.815 56.287 -0.030 0.000 0.933 372 K CB -0.169 32.086 32.500 -0.409 0.000 0.717 372 K HN 0.018 nan 8.250 nan 0.000 0.442 373 L N 1.094 122.546 121.223 0.382 0.000 2.056 373 L HA -0.154 4.186 4.340 0.000 0.000 0.207 373 L C 1.850 178.762 176.870 0.071 0.000 1.078 373 L CA 1.866 56.978 54.840 0.455 0.000 0.749 373 L CB -0.574 41.806 42.059 0.534 0.000 0.901 373 L HN 0.242 nan 8.230 nan 0.000 0.433 374 D N 0.003 120.206 120.400 -0.329 0.000 2.092 374 D HA -0.265 4.375 4.640 0.000 0.000 0.193 374 D C 2.133 178.167 176.300 -0.443 0.000 0.994 374 D CA 2.222 55.580 54.000 -1.070 0.000 0.828 374 D CB 0.316 40.558 40.800 -0.929 0.000 0.963 374 D HN 0.417 nan 8.370 nan 0.000 0.450 375 K N 1.621 121.913 120.400 -0.179 0.000 2.026 375 K HA -0.133 4.187 4.320 0.000 0.000 0.208 375 K C 2.261 178.874 176.600 0.021 0.000 1.048 375 K CA 1.361 57.616 56.287 -0.053 0.000 0.929 375 K CB -0.686 31.809 32.500 -0.008 0.000 0.713 375 K HN 0.052 nan 8.250 nan 0.000 0.439 376 K N -0.422 120.029 120.400 0.084 0.000 2.020 376 K HA -0.057 4.263 4.320 0.000 0.000 0.212 376 K C 2.254 178.895 176.600 0.069 0.000 1.050 376 K CA 1.731 58.084 56.287 0.110 0.000 0.929 376 K CB -0.297 32.305 32.500 0.170 0.000 0.714 376 K HN 0.353 nan 8.250 nan 0.000 0.443 377 M N 0.443 120.075 119.600 0.053 0.000 2.132 377 M HA -0.094 4.386 4.480 0.000 0.000 0.263 377 M C 2.209 178.534 176.300 0.042 0.000 1.065 377 M CA 1.547 56.887 55.300 0.068 0.000 1.122 377 M CB -1.493 31.203 32.600 0.161 0.000 1.365 377 M HN 0.090 nan 8.290 nan 0.000 0.411 378 T N 0.506 115.057 114.554 -0.005 0.000 2.643 378 T HA -0.184 4.166 4.350 0.000 0.000 0.264 378 T C 1.911 176.697 174.700 0.144 0.000 1.045 378 T CA 1.754 63.873 62.100 0.031 0.000 1.155 378 T CB -0.184 68.713 68.868 0.049 0.000 0.863 378 T HN 0.375 nan 8.240 nan 0.000 0.420 379 K N 1.027 121.530 120.400 0.171 0.000 2.057 379 K HA -0.060 4.260 4.320 0.000 0.000 0.207 379 K C 2.485 179.176 176.600 0.152 0.000 1.049 379 K CA 1.254 57.671 56.287 0.216 0.000 0.931 379 K CB -0.344 32.241 32.500 0.143 0.000 0.714 379 K HN 0.271 nan 8.250 nan 0.000 0.440 380 A N 0.981 123.851 122.820 0.083 0.000 1.883 380 A HA -0.191 4.129 4.320 0.000 0.000 0.217 380 A C 2.026 179.594 177.584 -0.027 0.000 1.186 380 A CA 1.566 53.619 52.037 0.027 0.000 0.624 380 A CB -0.942 18.064 19.000 0.010 0.000 0.822 380 A HN 0.547 nan 8.150 nan 0.000 0.444 381 F N -1.012 118.838 119.950 -0.167 0.000 2.126 381 F HA -0.207 4.320 4.527 0.000 0.000 0.299 381 F C 2.041 177.660 175.800 -0.302 0.000 1.096 381 F CA 1.824 59.647 58.000 -0.295 0.000 1.255 381 F CB -0.433 38.300 39.000 -0.445 0.000 0.997 381 F HN 0.416 nan 8.300 nan 0.000 0.479 382 W N 1.150 122.500 121.300 0.082 0.000 2.335 382 W HA -0.184 4.476 4.660 0.000 0.000 0.311 382 W C 2.507 179.011 176.519 -0.024 0.000 1.213 382 W CA 1.597 58.970 57.345 0.046 0.000 1.274 382 W CB -0.459 29.059 29.460 0.096 0.000 1.148 382 W HN 0.043 nan 8.180 nan 0.000 0.498 383 E N -0.269 120.024 120.200 0.155 0.000 2.085 383 E HA -0.235 4.115 4.350 0.000 0.000 0.194 383 E C 2.006 178.595 176.600 -0.019 0.000 0.994 383 E CA 1.785 58.232 56.400 0.078 0.000 0.801 383 E CB -0.591 29.140 29.700 0.052 0.000 0.743 383 E HN 0.126 nan 8.360 nan 0.000 0.453 384 V N 0.603 120.426 119.914 -0.151 0.000 2.358 384 V HA -0.254 3.866 4.120 0.000 0.000 0.246 384 V C 2.023 177.958 176.094 -0.265 0.000 1.047 384 V CA 1.752 63.912 62.300 -0.232 0.000 1.035 384 V CB -0.543 31.069 31.823 -0.352 0.000 0.658 384 V HN 0.298 nan 8.190 nan 0.000 0.452 385 Y N 1.978 121.965 120.300 -0.521 0.000 2.145 385 Y HA -0.224 4.326 4.550 0.000 0.000 0.286 385 Y C 2.514 178.452 175.900 0.064 0.000 1.145 385 Y CA 2.094 59.960 58.100 -0.390 0.000 1.148 385 Y CB -0.234 37.848 38.460 -0.629 0.000 0.981 385 Y HN 0.304 nan 8.280 nan 0.000 0.507 386 N N -0.784 118.029 118.700 0.188 0.000 2.244 386 N HA -0.131 4.609 4.740 0.000 0.000 0.183 386 N C 1.734 177.250 175.510 0.010 0.000 1.016 386 N CA 1.711 54.839 53.050 0.130 0.000 0.866 386 N CB -0.731 37.878 38.487 0.203 0.000 0.980 386 N HN 0.370 nan 8.380 nan 0.000 0.430 387 T N 0.144 114.700 114.554 0.004 0.000 2.746 387 T HA -0.166 4.184 4.350 0.000 0.000 0.267 387 T C 1.727 176.412 174.700 -0.025 0.000 1.039 387 T CA 1.643 63.738 62.100 -0.008 0.000 1.142 387 T CB -0.378 68.487 68.868 -0.004 0.000 0.866 387 T HN 0.631 nan 8.240 nan 0.000 0.444 388 H N 0.848 119.794 119.070 -0.206 0.000 2.389 388 H HA 0.084 4.640 4.556 0.000 0.000 0.299 388 H C 2.254 177.440 175.328 -0.236 0.000 1.081 388 H CA 1.145 57.051 56.048 -0.236 0.000 1.345 388 H CB 0.057 29.629 29.762 -0.317 0.000 1.393 388 H HN -0.034 nan 8.280 nan 0.000 0.520 389 K N 0.839 120.926 120.400 -0.522 0.000 1.973 389 K HA -0.102 4.218 4.320 0.000 0.000 0.212 389 K C 1.854 178.306 176.600 -0.248 0.000 1.047 389 K CA 1.581 57.570 56.287 -0.497 0.000 0.937 389 K CB -0.573 31.734 32.500 -0.321 0.000 0.721 389 K HN 0.469 nan 8.250 nan 0.000 0.440 390 D N 0.609 120.928 120.400 -0.135 0.000 2.144 390 D HA -0.118 4.522 4.640 0.000 0.000 0.199 390 D C 1.261 177.525 176.300 -0.060 0.000 0.984 390 D CA 1.154 55.111 54.000 -0.070 0.000 0.834 390 D CB -0.015 40.767 40.800 -0.029 0.000 0.955 390 D HN 0.211 nan 8.370 nan 0.000 0.465 391 K N 0.627 120.992 120.400 -0.059 0.000 2.417 391 K HA 0.034 4.355 4.320 0.000 0.000 0.196 391 K C 0.056 176.631 176.600 -0.042 0.000 1.023 391 K CA -0.245 56.028 56.287 -0.023 0.000 1.122 391 K CB -0.080 32.429 32.500 0.016 0.000 0.850 391 K HN 0.094 nan 8.250 nan 0.000 0.521 392 N N 2.241 120.873 118.700 -0.113 0.000 2.725 392 N HA -0.196 4.544 4.740 0.000 0.000 0.280 392 N C -0.789 174.667 175.510 -0.091 0.000 1.017 392 N CA 0.538 53.502 53.050 -0.144 0.000 0.813 392 N CB -0.853 37.578 38.487 -0.095 0.000 0.931 392 N HN 0.346 nan 8.380 nan 0.000 0.570 393 I N -2.381 118.126 120.570 -0.105 0.000 3.145 393 I HA 0.385 4.555 4.170 0.000 0.000 0.313 393 I C 0.549 176.668 176.117 0.003 0.000 1.122 393 I CA -1.143 60.105 61.300 -0.086 0.000 0.987 393 I CB 1.695 39.591 38.000 -0.172 0.000 1.236 393 I HN 0.023 nan 8.210 nan 0.000 0.453 394 H N 2.822 121.827 119.070 -0.109 0.000 2.852 394 H HA 0.099 4.655 4.556 0.000 0.000 0.362 394 H C 0.668 175.975 175.328 -0.035 0.000 1.122 394 H CA -0.084 55.948 56.048 -0.027 0.000 1.419 394 H CB 1.259 30.968 29.762 -0.089 0.000 1.401 394 H HN 0.651 nan 8.280 nan 0.000 0.609 395 M N 3.585 122.712 119.600 -0.790 0.000 2.082 395 M HA -0.230 4.250 4.480 0.000 0.000 0.258 395 M C 2.368 178.462 176.300 -0.343 0.000 1.069 395 M CA 1.572 56.488 55.300 -0.641 0.000 1.102 395 M CB -1.051 31.118 32.600 -0.719 0.000 1.336 395 M HN 0.707 nan 8.290 nan 0.000 0.404 396 R N 0.253 120.624 120.500 -0.215 0.000 2.091 396 R HA -0.180 4.160 4.340 0.000 0.000 0.238 396 R C 1.655 178.088 176.300 0.222 0.000 1.136 396 R CA 1.846 58.034 56.100 0.145 0.000 0.959 396 R CB -0.145 30.356 30.300 0.334 0.000 0.856 396 R HN 0.419 nan 8.270 nan 0.000 0.437 397 D N -0.250 120.191 120.400 0.068 0.000 2.183 397 D HA -0.099 4.541 4.640 0.000 0.000 0.203 397 D C 1.696 178.019 176.300 0.038 0.000 0.969 397 D CA 1.177 55.160 54.000 -0.028 0.000 0.842 397 D CB -0.015 40.506 40.800 -0.465 0.000 0.957 397 D HN 0.376 nan 8.370 nan 0.000 0.484 398 A N 1.576 124.382 122.820 -0.023 0.000 1.877 398 A HA -0.088 4.232 4.320 0.000 0.000 0.216 398 A C 2.389 179.974 177.584 0.001 0.000 1.186 398 A CA 2.085 54.110 52.037 -0.020 0.000 0.620 398 A CB -0.651 18.304 19.000 -0.074 0.000 0.822 398 A HN 0.235 nan 8.150 nan 0.000 0.443 399 A N -1.574 121.228 122.820 -0.030 0.000 1.908 399 A HA -0.122 4.198 4.320 0.000 0.000 0.218 399 A C 2.099 179.787 177.584 0.174 0.000 1.181 399 A CA 1.658 53.636 52.037 -0.099 0.000 0.627 399 A CB -0.806 17.923 19.000 -0.453 0.000 0.818 399 A HN 0.600 nan 8.150 nan 0.000 0.445 400 Y N -0.495 119.947 120.300 0.238 0.000 2.242 400 Y HA -0.126 4.424 4.550 0.000 0.000 0.291 400 Y C 2.578 178.485 175.900 0.013 0.000 1.137 400 Y CA 1.455 59.632 58.100 0.129 0.000 1.181 400 Y CB -0.203 38.259 38.460 0.005 0.000 0.989 400 Y HN 0.111 nan 8.280 nan 0.000 0.527 401 V N -1.380 118.645 119.914 0.185 0.000 2.427 401 V HA -0.248 3.872 4.120 0.000 0.000 0.248 401 V C 2.161 178.310 176.094 0.091 0.000 1.051 401 V CA 1.407 63.778 62.300 0.118 0.000 1.048 401 V CB -0.766 31.125 31.823 0.114 0.000 0.666 401 V HN 0.200 nan 8.190 nan 0.000 0.456 402 V N 0.370 120.330 119.914 0.077 0.000 2.261 402 V HA -0.279 3.841 4.120 0.000 0.000 0.246 402 V C 2.713 178.866 176.094 0.097 0.000 1.047 402 V CA 2.258 64.596 62.300 0.064 0.000 1.015 402 V CB -1.114 30.723 31.823 0.022 0.000 0.642 402 V HN 0.559 nan 8.190 nan 0.000 0.446 403 A N -0.332 122.568 122.820 0.133 0.000 1.858 403 A HA -0.153 4.167 4.320 0.000 0.000 0.216 403 A C 2.314 180.026 177.584 0.214 0.000 1.190 403 A CA 2.113 54.277 52.037 0.211 0.000 0.617 403 A CB -0.733 18.461 19.000 0.323 0.000 0.827 403 A HN 0.346 nan 8.150 nan 0.000 0.443 404 V N 0.129 120.083 119.914 0.067 0.000 2.667 404 V HA -0.160 3.960 4.120 0.000 0.000 0.252 404 V C 2.650 178.832 176.094 0.148 0.000 1.065 404 V CA 1.982 64.288 62.300 0.011 0.000 1.083 404 V CB -0.634 31.038 31.823 -0.252 0.000 0.692 404 V HN 0.537 nan 8.190 nan 0.000 0.468 405 S N -0.131 115.655 115.700 0.144 0.000 2.355 405 S HA -0.166 4.304 4.470 0.000 0.000 0.222 405 S C 2.123 176.810 174.600 0.146 0.000 1.031 405 S CA 1.348 59.654 58.200 0.176 0.000 0.993 405 S CB -0.266 63.005 63.200 0.118 0.000 0.859 405 S HN 0.539 nan 8.310 nan 0.000 0.453 406 R N 0.573 121.148 120.500 0.125 0.000 2.080 406 R HA -0.087 4.253 4.340 0.000 0.000 0.236 406 R C 2.275 178.639 176.300 0.106 0.000 1.137 406 R CA 1.578 57.735 56.100 0.094 0.000 0.943 406 R CB -0.799 29.559 30.300 0.097 0.000 0.846 406 R HN 0.262 nan 8.270 nan 0.000 0.431 407 V N 0.231 120.260 119.914 0.191 0.000 2.295 407 V HA -0.277 3.843 4.120 0.000 0.000 0.246 407 V C 2.060 178.260 176.094 0.178 0.000 1.049 407 V CA 1.741 64.164 62.300 0.205 0.000 1.024 407 V CB -0.775 31.280 31.823 0.387 0.000 0.648 407 V HN 0.316 nan 8.190 nan 0.000 0.447 408 Y N 1.542 121.874 120.300 0.054 0.000 2.128 408 Y HA -0.310 4.240 4.550 0.000 0.000 0.284 408 Y C 2.645 178.508 175.900 -0.062 0.000 1.154 408 Y CA 2.253 60.349 58.100 -0.006 0.000 1.149 408 Y CB -0.807 37.659 38.460 0.011 0.000 0.976 408 Y HN 0.313 nan 8.280 nan 0.000 0.505 409 Q N 0.416 120.165 119.800 -0.085 0.000 2.050 409 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 409 Q C 2.408 178.293 176.000 -0.192 0.000 0.980 409 Q CA 2.222 57.891 55.803 -0.223 0.000 0.840 409 Q CB -0.829 27.827 28.738 -0.137 0.000 0.898 409 Q HN 0.502 nan 8.270 nan 0.000 0.424 410 A N 0.034 122.766 122.820 -0.147 0.000 1.908 410 A HA -0.216 4.104 4.320 0.000 0.000 0.218 410 A C 2.154 179.509 177.584 -0.383 0.000 1.181 410 A CA 1.920 53.825 52.037 -0.219 0.000 0.627 410 A CB -0.628 18.268 19.000 -0.173 0.000 0.818 410 A HN 0.524 nan 8.150 nan 0.000 0.445 411 M N -0.945 118.438 119.600 -0.362 0.000 2.117 411 M HA -0.178 4.302 4.480 0.000 0.000 0.262 411 M C 2.213 178.305 176.300 -0.347 0.000 1.065 411 M CA 1.819 56.836 55.300 -0.472 0.000 1.114 411 M CB -0.326 32.120 32.600 -0.256 0.000 1.361 411 M HN 0.324 nan 8.290 nan 0.000 0.408 412 K N 0.143 120.400 120.400 -0.238 0.000 2.057 412 K HA -0.159 4.161 4.320 0.000 0.000 0.207 412 K C 1.486 177.971 176.600 -0.193 0.000 1.049 412 K CA 1.302 57.469 56.287 -0.200 0.000 0.931 412 K CB -0.148 32.189 32.500 -0.273 0.000 0.714 412 K HN 0.287 nan 8.250 nan 0.000 0.440 413 D N 0.212 120.480 120.400 -0.220 0.000 2.264 413 D HA -0.092 4.549 4.640 0.000 0.000 0.208 413 D C 1.649 177.833 176.300 -0.193 0.000 0.966 413 D CA 0.904 54.796 54.000 -0.178 0.000 0.864 413 D CB 0.069 40.773 40.800 -0.161 0.000 0.933 413 D HN 0.182 nan 8.370 nan 0.000 0.499 414 R N -0.329 119.980 120.500 -0.318 0.000 2.276 414 R HA 0.125 4.465 4.340 0.000 0.000 0.203 414 R C 1.447 177.665 176.300 -0.137 0.000 1.017 414 R CA 0.663 56.567 56.100 -0.328 0.000 1.010 414 R CB 0.215 30.043 30.300 -0.788 0.000 0.900 414 R HN 0.113 nan 8.270 nan 0.000 0.469 415 G N -0.134 108.605 108.800 -0.103 0.000 2.143 415 G HA2 -0.210 3.750 3.960 0.000 0.000 0.249 415 G HA3 -0.210 3.750 3.960 0.000 0.000 0.249 415 G C 0.376 175.365 174.900 0.149 0.000 0.981 415 G CA 0.131 45.246 45.100 0.025 0.000 0.665 415 G HN 0.269 nan 8.290 nan 0.000 0.528 416 W N 0.146 121.338 121.300 -0.179 0.000 2.355 416 W HA 0.244 4.904 4.660 0.000 0.000 0.309 416 W C 1.713 178.029 176.519 -0.340 0.000 1.206 416 W CA 1.506 58.643 57.345 -0.347 0.000 1.284 416 W CB -0.953 28.011 29.460 -0.827 0.000 1.145 416 W HN 0.716 nan 8.180 nan 0.000 0.502 417 V N -0.758 119.117 119.914 -0.064 0.000 2.459 417 V HA 0.428 4.548 4.120 0.000 0.000 0.295 417 V C 0.781 176.901 176.094 0.044 0.000 1.029 417 V CA -1.357 60.955 62.300 0.020 0.000 0.874 417 V CB 1.835 33.672 31.823 0.024 0.000 0.985 417 V HN -0.174 nan 8.190 nan 0.000 0.438 418 K N 2.085 122.527 120.400 0.070 0.000 2.365 418 K HA 0.203 4.524 4.320 0.000 0.000 0.199 418 K C 0.708 177.330 176.600 0.038 0.000 1.045 418 K CA 1.416 57.732 56.287 0.048 0.000 0.962 418 K CB -0.614 31.919 32.500 0.055 0.000 0.759 418 K HN 0.998 nan 8.250 nan 0.000 0.469 419 K N 0.000 120.442 120.400 0.070 0.000 2.780 419 K HA 0.000 4.320 4.320 0.000 0.000 0.191 419 K CA 0.000 56.337 56.287 0.083 0.000 0.838 419 K CB 0.000 32.543 32.500 0.072 0.000 1.064 419 K HN 0.000 nan 8.250 nan 0.000 0.543