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 2fr7_1_A DATA FIRST_RESID 16 DATA SEQUENCE HGAGVPHLGI DPFALDYFAD PYPEQETLRE AGPVVYLDKW NVYGVARYAE DATA SEQUENCE VYAVLNDPLT FCSSRGVGLS DFKKEKPWRP PSLILEADPP AHTRTRAVLS DATA SEQUENCE KVLSPATMKR LRDGFAAAAD AKIDELLARG GNIDAIADLA EAYPLSVFPD DATA SEQUENCE AMGLKQEGRE NLLPYAGLVF NAFGPPNELR QSAIERSAPH QAYVAEQCQR DATA SEQUENCE PNLAPGGFGA CIHAFSDTGE ITPEEAPLLV RSLLSAGLDT TVNGIAAAVY DATA SEQUENCE CLARFPDEFA RLRADPSLAR NAFEEAVRFE SPVQTFFRTT TRDVELAGAT DATA SEQUENCE IGEGEKVLMF LGSANRDPRR WDDPDRYDIT RKTSGHVGFG SGVHMCVGQL DATA SEQUENCE VARLEGEVVL AALARKVAAI EIAGPLKRRF NNTLRGLESL PIQLTPA 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 16 H HA 0.000 nan 4.556 nan 0.000 0.296 16 H C 0.000 175.018 175.328 -0.516 0.000 0.993 16 H CA 0.000 55.939 56.048 -0.181 0.000 1.023 16 H CB 0.000 29.690 29.762 -0.120 0.000 1.292 17 G N 0.723 109.217 108.800 -0.511 0.000 2.198 17 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.260 17 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.260 17 G C 0.467 175.350 174.900 -0.028 0.000 1.025 17 G CA 0.482 45.154 45.100 -0.714 0.000 0.769 17 G HN 0.940 nan 8.290 nan 0.000 0.507 18 A N -0.644 122.203 122.820 0.045 0.000 2.477 18 A HA 0.671 4.990 4.320 -0.000 0.000 0.246 18 A C 2.024 179.672 177.584 0.108 0.000 1.078 18 A CA 1.613 53.690 52.037 0.066 0.000 0.770 18 A CB 0.100 19.121 19.000 0.034 0.000 1.011 18 A HN 2.366 nan 8.150 nan 0.000 0.494 19 G N 0.377 109.230 108.800 0.090 0.000 2.184 19 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.264 19 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.264 19 G C 0.448 175.418 174.900 0.117 0.000 0.975 19 G CA 0.942 46.096 45.100 0.090 0.000 0.642 19 G HN 2.324 nan 8.290 nan 0.000 0.536 20 V N -3.144 116.863 119.914 0.156 0.000 3.046 20 V HA 0.916 5.036 4.120 -0.000 0.000 0.316 20 V C -2.451 173.756 176.094 0.190 0.000 1.104 20 V CA -2.884 59.508 62.300 0.153 0.000 1.006 20 V CB 1.888 33.814 31.823 0.172 0.000 1.058 20 V HN 0.011 nan 8.190 nan 0.000 0.440 21 P HA 0.379 nan 4.420 nan 0.000 0.271 21 P C -1.171 176.232 177.300 0.173 0.000 1.220 21 P CA 0.394 63.588 63.100 0.156 0.000 0.768 21 P CB 0.033 31.783 31.700 0.084 0.000 0.848 22 H N 1.507 120.607 119.070 0.049 0.000 2.463 22 H HA 0.589 5.145 4.556 -0.000 0.000 0.332 22 H C -0.062 175.289 175.328 0.039 0.000 1.127 22 H CA -0.172 55.923 56.048 0.078 0.000 1.238 22 H CB 0.630 30.439 29.762 0.078 0.000 1.478 22 H HN 0.228 nan 8.280 nan 0.000 0.499 23 L N 0.440 121.721 121.223 0.095 0.000 2.393 23 L HA 0.444 4.784 4.340 -0.000 0.000 0.260 23 L C 1.151 178.032 176.870 0.017 0.000 1.002 23 L CA -0.847 54.014 54.840 0.035 0.000 0.818 23 L CB 2.397 44.444 42.059 -0.020 0.000 1.369 23 L HN 0.810 nan 8.230 nan 0.000 0.412 24 G N 1.369 110.170 108.800 0.002 0.000 3.284 24 G HA2 0.261 4.221 3.960 -0.000 0.000 0.236 24 G HA3 0.261 4.221 3.960 -0.000 0.000 0.236 24 G C 0.472 175.354 174.900 -0.030 0.000 1.158 24 G CA -0.147 44.946 45.100 -0.012 0.000 0.774 24 G HN 0.361 nan 8.290 nan 0.000 0.545 25 I N 1.266 121.807 120.570 -0.049 0.000 2.683 25 I HA 0.017 4.187 4.170 -0.000 0.000 0.286 25 I C -0.344 175.727 176.117 -0.077 0.000 1.175 25 I CA 0.031 61.276 61.300 -0.090 0.000 1.429 25 I CB 0.945 38.853 38.000 -0.153 0.000 1.371 25 I HN -0.074 nan 8.210 nan 0.000 0.569 26 D N 9.450 129.795 120.400 -0.092 0.000 2.454 26 D HA 0.215 4.855 4.640 -0.000 0.000 0.225 26 D C -1.688 174.433 176.300 -0.299 0.000 1.081 26 D CA -2.174 51.831 54.000 0.009 0.000 0.864 26 D CB 1.396 42.247 40.800 0.085 0.000 1.040 26 D HN 0.254 nan 8.370 nan 0.000 0.517 27 P HA 0.049 nan 4.420 nan 0.000 0.249 27 P C 0.224 176.954 177.300 -0.950 0.000 1.241 27 P CA 0.193 62.713 63.100 -0.965 0.000 0.781 27 P CB -0.189 31.044 31.700 -0.778 0.000 1.088 28 F N -0.730 119.062 119.950 -0.264 0.000 2.772 28 F HA 0.418 4.945 4.527 -0.000 0.000 0.316 28 F C 1.101 176.658 175.800 -0.405 0.000 1.114 28 F CA -0.697 57.177 58.000 -0.211 0.000 1.191 28 F CB 0.361 39.261 39.000 -0.167 0.000 1.065 28 F HN -0.155 nan 8.300 nan 0.000 0.534 29 A N 0.400 122.975 122.820 -0.409 0.000 2.310 29 A HA 0.488 4.808 4.320 -0.000 0.000 0.299 29 A C 0.917 178.138 177.584 -0.605 0.000 1.147 29 A CA -0.329 51.523 52.037 -0.309 0.000 0.818 29 A CB 0.660 19.583 19.000 -0.128 0.000 1.096 29 A HN 0.270 nan 8.150 nan 0.000 0.495 30 L N 1.227 122.224 121.223 -0.377 0.000 2.131 30 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 30 L C 1.626 178.271 176.870 -0.375 0.000 1.092 30 L CA 1.726 56.282 54.840 -0.473 0.000 0.759 30 L CB -0.619 41.111 42.059 -0.548 0.000 0.903 30 L HN 0.735 nan 8.230 nan 0.000 0.435 31 D N -2.030 118.235 120.400 -0.225 0.000 2.178 31 D HA -0.236 4.404 4.640 -0.000 0.000 0.201 31 D C 2.007 178.253 176.300 -0.091 0.000 0.980 31 D CA 0.966 54.895 54.000 -0.119 0.000 0.842 31 D CB -0.089 40.671 40.800 -0.067 0.000 0.948 31 D HN 0.385 nan 8.370 nan 0.000 0.472 32 Y N 0.379 120.525 120.300 -0.257 0.000 2.184 32 Y HA -0.110 4.440 4.550 -0.000 0.000 0.290 32 Y C 2.005 177.845 175.900 -0.100 0.000 1.129 32 Y CA 1.353 59.318 58.100 -0.226 0.000 1.144 32 Y CB -0.772 37.480 38.460 -0.348 0.000 0.995 32 Y HN -0.072 nan 8.280 nan 0.000 0.513 33 F N 0.195 119.978 119.950 -0.278 0.000 2.161 33 F HA -0.227 4.300 4.527 -0.000 0.000 0.300 33 F C 2.586 178.325 175.800 -0.102 0.000 1.089 33 F CA 0.540 58.394 58.000 -0.245 0.000 1.282 33 F CB -0.503 38.522 39.000 0.042 0.000 1.010 33 F HN 0.218 nan 8.300 nan 0.000 0.485 34 A N -1.181 121.736 122.820 0.161 0.000 2.015 34 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 34 A C 0.463 178.041 177.584 -0.011 0.000 1.163 34 A CA 1.740 53.889 52.037 0.187 0.000 0.646 34 A CB -0.264 18.840 19.000 0.172 0.000 0.806 34 A HN 0.331 nan 8.150 nan 0.000 0.448 35 D N -2.354 117.967 120.400 -0.132 0.000 2.823 35 D HA 0.183 4.823 4.640 -0.000 0.000 0.255 35 D C -1.987 174.137 176.300 -0.293 0.000 1.257 35 D CA -0.858 53.040 54.000 -0.169 0.000 0.803 35 D CB 0.973 41.736 40.800 -0.061 0.000 1.384 35 D HN 0.070 nan 8.370 nan 0.000 0.541 36 P HA -0.119 nan 4.420 nan 0.000 0.222 36 P C 1.222 178.333 177.300 -0.315 0.000 1.153 36 P CA 0.657 63.341 63.100 -0.693 0.000 0.798 36 P CB 0.187 31.298 31.700 -0.983 0.000 0.796 37 Y N 0.864 121.120 120.300 -0.074 0.000 2.165 37 Y HA -0.120 4.430 4.550 -0.000 0.000 0.286 37 Y C -0.044 175.850 175.900 -0.010 0.000 1.155 37 Y CA 0.923 58.999 58.100 -0.041 0.000 1.164 37 Y CB -2.432 35.989 38.460 -0.064 0.000 0.978 37 Y HN 0.157 nan 8.280 nan 0.000 0.513 38 P HA -0.160 nan 4.420 nan 0.000 0.215 38 P C 0.880 178.217 177.300 0.061 0.000 1.157 38 P CA 1.790 64.938 63.100 0.080 0.000 0.863 38 P CB 0.018 31.751 31.700 0.056 0.000 0.787 39 E N -0.646 119.599 120.200 0.074 0.000 2.208 39 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 39 E C 2.129 178.730 176.600 0.002 0.000 0.988 39 E CA 0.710 57.141 56.400 0.052 0.000 0.828 39 E CB -0.282 29.489 29.700 0.120 0.000 0.763 39 E HN 0.402 nan 8.360 nan 0.000 0.478 40 Q N 0.404 120.241 119.800 0.062 0.000 2.167 40 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 40 Q C 2.034 178.013 176.000 -0.036 0.000 0.970 40 Q CA 1.042 56.835 55.803 -0.016 0.000 0.855 40 Q CB 0.037 28.849 28.738 0.123 0.000 0.911 40 Q HN 0.292 nan 8.270 nan 0.000 0.438 41 E N -0.014 120.197 120.200 0.018 0.000 2.072 41 E HA -0.140 4.209 4.350 -0.000 0.000 0.190 41 E C 1.602 178.191 176.600 -0.019 0.000 0.982 41 E CA 1.346 57.752 56.400 0.010 0.000 0.803 41 E CB 0.207 29.925 29.700 0.030 0.000 0.755 41 E HN 0.195 nan 8.360 nan 0.000 0.453 42 T N 1.552 116.090 114.554 -0.027 0.000 2.720 42 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 42 T C 1.853 176.509 174.700 -0.073 0.000 1.037 42 T CA 1.122 63.199 62.100 -0.039 0.000 1.144 42 T CB -0.180 68.667 68.868 -0.036 0.000 0.864 42 T HN 0.160 nan 8.240 nan 0.000 0.444 43 L N 0.284 121.426 121.223 -0.136 0.000 2.046 43 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 43 L C 2.925 179.718 176.870 -0.127 0.000 1.077 43 L CA 1.445 56.165 54.840 -0.200 0.000 0.747 43 L CB -0.438 41.365 42.059 -0.427 0.000 0.896 43 L HN 0.178 nan 8.230 nan 0.000 0.432 44 R N -0.453 119.993 120.500 -0.090 0.000 2.075 44 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 44 R C 2.112 178.404 176.300 -0.015 0.000 1.126 44 R CA 0.892 56.971 56.100 -0.036 0.000 0.963 44 R CB -0.148 30.150 30.300 -0.004 0.000 0.858 44 R HN 0.313 nan 8.270 nan 0.000 0.435 45 E N 0.585 120.776 120.200 -0.015 0.000 2.274 45 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 45 E C 1.825 178.424 176.600 -0.002 0.000 0.996 45 E CA 0.832 57.230 56.400 -0.003 0.000 0.840 45 E CB -0.022 29.677 29.700 -0.001 0.000 0.772 45 E HN 0.299 nan 8.360 nan 0.000 0.491 46 A N 0.916 123.730 122.820 -0.011 0.000 1.969 46 A HA 0.191 4.511 4.320 -0.000 0.000 0.218 46 A C 1.265 178.858 177.584 0.014 0.000 1.169 46 A CA 1.548 53.585 52.037 -0.000 0.000 0.635 46 A CB -0.063 18.931 19.000 -0.011 0.000 0.810 46 A HN 0.305 nan 8.150 nan 0.000 0.445 47 G N -3.102 105.705 108.800 0.012 0.000 2.336 47 G HA2 0.326 4.286 3.960 -0.000 0.000 0.300 47 G HA3 0.326 4.286 3.960 -0.000 0.000 0.300 47 G C -2.546 172.371 174.900 0.027 0.000 1.375 47 G CA 0.022 45.138 45.100 0.027 0.000 0.885 47 G HN -0.109 nan 8.290 nan 0.000 0.599 48 P HA 0.129 nan 4.420 nan 0.000 0.225 48 P C 0.361 177.692 177.300 0.052 0.000 1.156 48 P CA 0.775 63.898 63.100 0.039 0.000 0.787 48 P CB 0.526 32.251 31.700 0.041 0.000 0.802 49 V N 1.388 121.349 119.914 0.079 0.000 2.569 49 V HA 0.309 4.429 4.120 -0.000 0.000 0.301 49 V C 0.219 176.393 176.094 0.133 0.000 1.044 49 V CA -0.885 61.494 62.300 0.130 0.000 0.874 49 V CB 2.318 34.249 31.823 0.181 0.000 1.002 49 V HN -0.066 nan 8.190 nan 0.000 0.424 50 V N 2.195 122.178 119.914 0.115 0.000 3.113 50 V HA 0.753 4.873 4.120 -0.000 0.000 0.316 50 V C -1.501 174.600 176.094 0.011 0.000 1.125 50 V CA -1.018 61.312 62.300 0.050 0.000 1.026 50 V CB 2.295 34.110 31.823 -0.013 0.000 1.080 50 V HN 0.720 nan 8.190 nan 0.000 0.444 51 Y N 1.304 121.424 120.300 -0.299 0.000 2.361 51 Y HA 0.701 5.251 4.550 -0.000 0.000 0.337 51 Y C -0.658 175.056 175.900 -0.311 0.000 0.965 51 Y CA -0.997 56.799 58.100 -0.507 0.000 1.091 51 Y CB 1.846 39.691 38.460 -1.026 0.000 1.182 51 Y HN 0.728 nan 8.280 nan 0.000 0.450 52 L N 6.564 127.458 121.223 -0.548 0.000 2.270 52 L HA 0.228 4.568 4.340 -0.000 0.000 0.286 52 L C 0.470 177.187 176.870 -0.255 0.000 1.059 52 L CA -0.429 54.261 54.840 -0.251 0.000 0.839 52 L CB 0.741 42.757 42.059 -0.072 0.000 1.221 52 L HN 0.745 nan 8.230 nan 0.000 0.431 53 D N 1.600 121.972 120.400 -0.046 0.000 2.182 53 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 53 D C 1.718 177.981 176.300 -0.061 0.000 0.986 53 D CA 1.444 55.479 54.000 0.059 0.000 0.847 53 D CB 0.312 41.194 40.800 0.137 0.000 0.942 53 D HN 0.459 nan 8.370 nan 0.000 0.467 54 K N -1.063 119.254 120.400 -0.138 0.000 2.283 54 K HA -0.116 4.204 4.320 -0.000 0.000 0.202 54 K C 1.051 177.227 176.600 -0.705 0.000 1.048 54 K CA 0.787 56.833 56.287 -0.402 0.000 0.948 54 K CB 0.066 32.315 32.500 -0.418 0.000 0.742 54 K HN 0.292 nan 8.250 nan 0.000 0.458 55 W N -0.170 121.111 121.300 -0.032 0.000 2.534 55 W HA 0.219 4.879 4.660 -0.000 0.000 0.339 55 W C -0.394 176.071 176.519 -0.090 0.000 0.961 55 W CA -0.740 56.595 57.345 -0.017 0.000 1.545 55 W CB 0.401 29.918 29.460 0.093 0.000 1.104 55 W HN -0.094 nan 8.180 nan 0.000 0.538 56 N N 1.227 119.898 118.700 -0.048 0.000 2.688 56 N HA -0.154 4.586 4.740 -0.000 0.000 0.258 56 N C -0.764 174.583 175.510 -0.272 0.000 1.016 56 N CA 1.605 54.556 53.050 -0.166 0.000 0.747 56 N CB -1.534 36.993 38.487 0.067 0.000 0.895 56 N HN 0.194 nan 8.380 nan 0.000 0.543 57 V N -3.389 116.222 119.914 -0.506 0.000 3.078 57 V HA 0.708 4.828 4.120 -0.000 0.000 0.311 57 V C -0.026 175.851 176.094 -0.362 0.000 1.138 57 V CA -1.178 61.021 62.300 -0.168 0.000 1.007 57 V CB 1.774 33.716 31.823 0.197 0.000 1.045 57 V HN 0.043 nan 8.190 nan 0.000 0.432 58 Y N 1.028 121.312 120.300 -0.025 0.000 2.298 58 Y HA 0.799 5.349 4.550 -0.000 0.000 0.329 58 Y C 1.068 177.000 175.900 0.054 0.000 1.293 58 Y CA 0.934 59.070 58.100 0.060 0.000 1.388 58 Y CB 1.683 40.254 38.460 0.185 0.000 1.309 58 Y HN 1.128 nan 8.280 nan 0.000 0.544 59 G N -0.180 108.750 108.800 0.217 0.000 2.667 59 G HA2 0.558 4.518 3.960 -0.000 0.000 0.298 59 G HA3 0.558 4.518 3.960 -0.000 0.000 0.298 59 G C -1.985 173.004 174.900 0.148 0.000 1.377 59 G CA -0.857 44.354 45.100 0.185 0.000 0.964 59 G HN 0.738 nan 8.290 nan 0.000 0.493 60 V N -0.840 119.161 119.914 0.145 0.000 2.577 60 V HA 0.861 4.981 4.120 -0.000 0.000 0.303 60 V C 0.281 176.445 176.094 0.116 0.000 1.042 60 V CA -0.163 62.181 62.300 0.075 0.000 0.872 60 V CB 1.286 33.111 31.823 0.003 0.000 0.998 60 V HN 1.506 nan 8.190 nan 0.000 0.423 61 A N 4.102 126.941 122.820 0.031 0.000 2.456 61 A HA 0.469 4.789 4.320 -0.000 0.000 0.237 61 A C 0.928 178.544 177.584 0.053 0.000 1.217 61 A CA -0.335 51.715 52.037 0.021 0.000 0.962 61 A CB 0.306 19.178 19.000 -0.213 0.000 1.079 61 A HN 0.801 nan 8.150 nan 0.000 0.536 62 R N -1.388 119.143 120.500 0.052 0.000 2.500 62 R HA 0.322 4.662 4.340 -0.000 0.000 0.275 62 R C 0.704 177.080 176.300 0.127 0.000 1.051 62 R CA -0.504 55.653 56.100 0.094 0.000 1.088 62 R CB 0.412 30.754 30.300 0.070 0.000 1.063 62 R HN 0.375 nan 8.270 nan 0.000 0.511 63 Y N 2.169 122.518 120.300 0.081 0.000 2.128 63 Y HA -0.309 4.240 4.550 -0.000 0.000 0.284 63 Y C 2.078 178.026 175.900 0.080 0.000 1.154 63 Y CA 2.216 60.378 58.100 0.103 0.000 1.149 63 Y CB -0.301 38.203 38.460 0.073 0.000 0.976 63 Y HN 0.795 nan 8.280 nan 0.000 0.505 64 A N 0.314 123.204 122.820 0.116 0.000 1.869 64 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 64 A C 1.989 179.565 177.584 -0.013 0.000 1.203 64 A CA 2.368 54.432 52.037 0.045 0.000 0.638 64 A CB -0.872 18.169 19.000 0.069 0.000 0.831 64 A HN 0.549 nan 8.150 nan 0.000 0.450 65 E N -0.575 119.614 120.200 -0.018 0.000 2.106 65 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 65 E C 1.996 178.522 176.600 -0.125 0.000 0.984 65 E CA 1.009 57.373 56.400 -0.059 0.000 0.806 65 E CB -0.477 29.198 29.700 -0.042 0.000 0.750 65 E HN 0.328 nan 8.360 nan 0.000 0.458 66 V N 0.444 120.288 119.914 -0.117 0.000 2.295 66 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 66 V C 2.013 178.000 176.094 -0.179 0.000 1.049 66 V CA 1.958 64.168 62.300 -0.151 0.000 1.024 66 V CB -0.558 31.201 31.823 -0.105 0.000 0.648 66 V HN 0.324 nan 8.190 nan 0.000 0.447 67 Y N 1.257 121.337 120.300 -0.366 0.000 2.145 67 Y HA -0.230 4.319 4.550 -0.000 0.000 0.286 67 Y C 2.378 178.164 175.900 -0.191 0.000 1.145 67 Y CA 1.721 59.616 58.100 -0.341 0.000 1.148 67 Y CB -0.538 37.591 38.460 -0.551 0.000 0.981 67 Y HN 0.153 nan 8.280 nan 0.000 0.507 68 A N -0.502 122.283 122.820 -0.059 0.000 1.858 68 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 68 A C 2.346 179.811 177.584 -0.198 0.000 1.190 68 A CA 2.210 54.198 52.037 -0.082 0.000 0.617 68 A CB -1.401 17.591 19.000 -0.013 0.000 0.827 68 A HN 0.343 nan 8.150 nan 0.000 0.443 69 V N 0.194 119.912 119.914 -0.326 0.000 2.287 69 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 69 V C 2.575 178.514 176.094 -0.258 0.000 1.053 69 V CA 2.032 64.000 62.300 -0.553 0.000 1.027 69 V CB -0.805 30.554 31.823 -0.773 0.000 0.646 69 V HN 0.575 nan 8.190 nan 0.000 0.447 70 L N 0.208 121.307 121.223 -0.208 0.000 2.127 70 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 70 L C 1.861 178.661 176.870 -0.117 0.000 1.089 70 L CA 1.405 56.180 54.840 -0.109 0.000 0.757 70 L CB -0.541 41.453 42.059 -0.108 0.000 0.899 70 L HN 0.437 nan 8.230 nan 0.000 0.434 71 N N -0.351 118.218 118.700 -0.218 0.000 2.314 71 N HA 0.001 4.741 4.740 -0.000 0.000 0.200 71 N C -0.422 175.059 175.510 -0.049 0.000 1.135 71 N CA 0.401 53.342 53.050 -0.182 0.000 0.835 71 N CB 0.387 38.664 38.487 -0.350 0.000 0.989 71 N HN 0.247 nan 8.380 nan 0.000 0.478 72 D N 0.255 120.678 120.400 0.037 0.000 2.607 72 D HA 0.127 4.767 4.640 -0.000 0.000 0.318 72 D C -1.535 174.874 176.300 0.181 0.000 1.212 72 D CA -1.227 52.858 54.000 0.141 0.000 0.861 72 D CB 1.320 42.300 40.800 0.300 0.000 1.064 72 D HN 0.125 nan 8.370 nan 0.000 0.500 73 P HA -0.150 nan 4.420 nan 0.000 0.222 73 P C 1.522 178.858 177.300 0.060 0.000 1.147 73 P CA 0.607 63.759 63.100 0.087 0.000 0.790 73 P CB 0.421 32.142 31.700 0.035 0.000 0.780 74 L N -1.083 120.161 121.223 0.035 0.000 2.044 74 L HA 0.017 4.357 4.340 -0.000 0.000 0.205 74 L C 2.263 179.106 176.870 -0.045 0.000 1.075 74 L CA 2.031 56.870 54.840 -0.001 0.000 0.747 74 L CB -3.007 39.048 42.059 -0.006 0.000 0.903 74 L HN -0.156 nan 8.230 nan 0.000 0.435 75 T N -0.447 114.060 114.554 -0.079 0.000 2.809 75 T HA 0.092 4.442 4.350 -0.000 0.000 0.260 75 T C 0.399 174.822 174.700 -0.462 0.000 1.039 75 T CA 1.027 62.946 62.100 -0.302 0.000 1.141 75 T CB -0.354 68.269 68.868 -0.409 0.000 0.869 75 T HN 0.124 nan 8.240 nan 0.000 0.437 76 F N 2.579 122.522 119.950 -0.011 0.000 2.318 76 F HA 0.374 4.901 4.527 -0.000 0.000 0.356 76 F C 1.013 176.807 175.800 -0.011 0.000 1.109 76 F CA -1.679 56.317 58.000 -0.008 0.000 1.234 76 F CB -0.304 38.693 39.000 -0.004 0.000 1.545 76 F HN 0.238 nan 8.300 nan 0.000 0.534 77 C N -0.530 118.813 119.300 0.072 0.000 2.563 77 C HA 0.516 4.976 4.460 -0.000 0.000 0.358 77 C C 1.407 176.399 174.990 0.005 0.000 1.336 77 C CA -0.184 58.856 59.018 0.037 0.000 2.454 77 C CB 0.950 28.695 27.740 0.009 0.000 2.448 77 C HN 0.777 nan 8.230 nan 0.000 0.670 78 S N -0.207 115.471 115.700 -0.037 0.000 2.559 78 S HA 0.018 4.488 4.470 -0.000 0.000 0.226 78 S C 1.863 176.424 174.600 -0.065 0.000 1.030 78 S CA 0.501 58.624 58.200 -0.129 0.000 0.956 78 S CB -0.003 62.996 63.200 -0.335 0.000 0.900 78 S HN 1.029 nan 8.310 nan 0.000 0.510 79 S N 2.021 117.724 115.700 0.005 0.000 2.474 79 S HA 0.055 4.525 4.470 -0.000 0.000 0.235 79 S C 1.420 176.078 174.600 0.097 0.000 0.997 79 S CA 0.471 58.707 58.200 0.061 0.000 0.949 79 S CB -0.259 62.979 63.200 0.062 0.000 0.766 79 S HN 0.321 nan 8.310 nan 0.000 0.517 80 R N 1.503 122.014 120.500 0.017 0.000 2.334 80 R HA 0.327 4.667 4.340 -0.000 0.000 0.220 80 R C 0.697 176.819 176.300 -0.297 0.000 0.917 80 R CA 0.435 56.524 56.100 -0.019 0.000 1.073 80 R CB -0.067 30.207 30.300 -0.044 0.000 1.056 80 R HN 0.572 nan 8.270 nan 0.000 0.506 81 G N 0.056 108.689 108.800 -0.279 0.000 2.784 81 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 81 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 81 G C 0.116 174.780 174.900 -0.393 0.000 1.156 81 G CA -0.386 44.362 45.100 -0.587 0.000 0.757 81 G HN 0.082 nan 8.290 nan 0.000 0.642 82 V N 0.477 120.140 119.914 -0.418 0.000 3.596 82 V HA 0.659 4.779 4.120 -0.000 0.000 0.289 82 V C 1.353 177.302 176.094 -0.242 0.000 1.336 82 V CA 1.478 63.547 62.300 -0.384 0.000 1.137 82 V CB -0.104 31.293 31.823 -0.710 0.000 0.966 82 V HN 1.789 nan 8.190 nan 0.000 0.428 83 G N -0.440 108.203 108.800 -0.262 0.000 2.671 83 G HA2 0.461 4.421 3.960 -0.000 0.000 0.275 83 G HA3 0.461 4.421 3.960 -0.000 0.000 0.275 83 G C 0.228 174.811 174.900 -0.527 0.000 1.368 83 G CA -0.225 44.859 45.100 -0.026 0.000 1.044 83 G HN 0.144 nan 8.290 nan 0.000 0.543 84 L N -0.121 120.755 121.223 -0.578 0.000 2.156 84 L HA 0.212 4.552 4.340 -0.000 0.000 0.208 84 L C 1.690 178.253 176.870 -0.511 0.000 1.095 84 L CA 0.908 55.213 54.840 -0.891 0.000 0.770 84 L CB -0.507 41.213 42.059 -0.565 0.000 0.914 84 L HN 0.302 nan 8.230 nan 0.000 0.439 85 S N 0.615 116.143 115.700 -0.286 0.000 2.562 85 S HA 0.012 4.482 4.470 -0.000 0.000 0.281 85 S C -0.096 174.287 174.600 -0.361 0.000 1.333 85 S CA -0.318 57.782 58.200 -0.168 0.000 1.052 85 S CB 0.373 63.683 63.200 0.183 0.000 0.884 85 S HN 0.257 nan 8.310 nan 0.000 0.506 86 D N 1.909 122.209 120.400 -0.167 0.000 2.428 86 D HA 0.172 4.812 4.640 -0.000 0.000 0.221 86 D C 0.162 176.492 176.300 0.050 0.000 1.123 86 D CA -0.462 53.456 54.000 -0.137 0.000 0.869 86 D CB 0.027 40.796 40.800 -0.051 0.000 1.032 86 D HN 0.542 nan 8.370 nan 0.000 0.506 87 F N 1.926 121.880 119.950 0.007 0.000 2.722 87 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 87 F C 2.309 178.114 175.800 0.009 0.000 1.175 87 F CA -0.075 57.931 58.000 0.010 0.000 1.462 87 F CB 0.474 39.468 39.000 -0.010 0.000 1.111 87 F HN 0.210 nan 8.300 nan 0.000 0.592 88 K N 0.779 121.281 120.400 0.170 0.000 2.141 88 K HA 0.005 4.324 4.320 -0.000 0.000 0.202 88 K C 1.769 178.421 176.600 0.085 0.000 1.045 88 K CA 0.704 57.053 56.287 0.103 0.000 0.971 88 K CB 0.044 32.582 32.500 0.063 0.000 0.795 88 K HN 0.218 nan 8.250 nan 0.000 0.459 89 K N 0.340 120.788 120.400 0.080 0.000 2.228 89 K HA -0.023 4.297 4.320 -0.000 0.000 0.202 89 K C 0.391 177.040 176.600 0.082 0.000 1.051 89 K CA 0.685 57.013 56.287 0.068 0.000 0.960 89 K CB 0.273 32.806 32.500 0.054 0.000 0.743 89 K HN -0.078 nan 8.250 nan 0.000 0.458 90 E N 0.829 121.100 120.200 0.120 0.000 2.266 90 E HA 0.201 4.551 4.350 -0.000 0.000 0.268 90 E C -1.517 175.179 176.600 0.160 0.000 0.879 90 E CA -0.633 55.848 56.400 0.136 0.000 0.762 90 E CB 1.379 31.173 29.700 0.157 0.000 1.199 90 E HN -0.144 nan 8.360 nan 0.000 0.422 91 K N 3.569 124.034 120.400 0.108 0.000 2.447 91 K HA 0.185 4.505 4.320 -0.000 0.000 0.281 91 K C -2.281 174.363 176.600 0.073 0.000 1.031 91 K CA -1.162 55.163 56.287 0.062 0.000 1.019 91 K CB 0.018 32.543 32.500 0.042 0.000 0.918 91 K HN 0.244 nan 8.250 nan 0.000 0.476 92 P HA -0.133 nan 4.420 nan 0.000 0.261 92 P C 0.230 177.470 177.300 -0.101 0.000 1.183 92 P CA 0.010 62.924 63.100 -0.309 0.000 0.761 92 P CB 0.264 31.434 31.700 -0.884 0.000 0.785 93 W N 5.296 126.581 121.300 -0.025 0.000 2.800 93 W HA 0.038 4.698 4.660 -0.000 0.000 0.249 93 W C -0.100 176.404 176.519 -0.026 0.000 1.294 93 W CA 0.003 57.347 57.345 -0.000 0.000 1.402 93 W CB -0.495 28.995 29.460 0.050 0.000 1.126 93 W HN 0.271 nan 8.180 nan 0.000 0.652 94 R N 0.869 120.921 120.500 -0.746 0.000 2.698 94 R HA 0.499 4.839 4.340 -0.000 0.000 0.275 94 R C -2.968 172.984 176.300 -0.581 0.000 1.001 94 R CA -1.997 53.658 56.100 -0.743 0.000 0.896 94 R CB 1.071 30.631 30.300 -1.234 0.000 1.218 94 R HN -0.359 nan 8.270 nan 0.000 0.462 95 P HA 0.175 nan 4.420 nan 0.000 0.271 95 P C -2.371 174.753 177.300 -0.293 0.000 1.226 95 P CA -1.088 61.825 63.100 -0.311 0.000 0.765 95 P CB 0.347 31.938 31.700 -0.182 0.000 0.835 96 P HA 0.046 nan 4.420 nan 0.000 0.268 96 P C 0.331 177.609 177.300 -0.038 0.000 1.205 96 P CA 0.126 63.145 63.100 -0.135 0.000 0.771 96 P CB 0.341 31.963 31.700 -0.129 0.000 0.858 97 S N 2.145 117.864 115.700 0.031 0.000 2.537 97 S HA 0.029 4.499 4.470 -0.000 0.000 0.286 97 S C 1.203 175.824 174.600 0.035 0.000 1.299 97 S CA -0.619 57.599 58.200 0.030 0.000 1.067 97 S CB -0.225 63.011 63.200 0.059 0.000 0.864 97 S HN 0.278 nan 8.310 nan 0.000 0.494 98 L N 4.348 125.582 121.223 0.019 0.000 2.551 98 L HA 0.263 4.603 4.340 -0.000 0.000 0.228 98 L C 1.259 178.153 176.870 0.041 0.000 1.153 98 L CA 1.006 55.858 54.840 0.019 0.000 0.851 98 L CB -1.295 40.759 42.059 -0.007 0.000 0.959 98 L HN 0.682 nan 8.230 nan 0.000 0.451 99 I N -1.618 118.992 120.570 0.066 0.000 3.570 99 I HA 0.160 4.330 4.170 -0.000 0.000 0.270 99 I C 1.830 178.092 176.117 0.242 0.000 1.162 99 I CA 0.555 61.919 61.300 0.107 0.000 1.413 99 I CB -0.038 37.992 38.000 0.050 0.000 1.437 99 I HN 0.069 nan 8.210 nan 0.000 0.457 100 L N 1.142 122.453 121.223 0.146 0.000 2.109 100 L HA 0.078 4.418 4.340 -0.000 0.000 0.207 100 L C 1.033 177.879 176.870 -0.040 0.000 1.086 100 L CA 1.813 56.696 54.840 0.071 0.000 0.760 100 L CB -0.543 41.520 42.059 0.006 0.000 0.910 100 L HN 0.298 nan 8.230 nan 0.000 0.437 101 E N -0.026 120.187 120.200 0.022 0.000 2.598 101 E HA 0.471 4.821 4.350 -0.000 0.000 0.233 101 E C -0.470 176.177 176.600 0.078 0.000 1.173 101 E CA -0.091 56.314 56.400 0.008 0.000 1.473 101 E CB 0.374 30.115 29.700 0.068 0.000 1.398 101 E HN 0.413 nan 8.360 nan 0.000 0.431 102 A N 1.067 123.974 122.820 0.144 0.000 2.435 102 A HA 0.517 4.837 4.320 -0.000 0.000 0.304 102 A C -1.028 176.673 177.584 0.195 0.000 1.064 102 A CA -0.894 51.240 52.037 0.162 0.000 0.727 102 A CB 1.435 20.539 19.000 0.173 0.000 1.284 102 A HN 0.041 nan 8.150 nan 0.000 0.415 103 D N 1.215 121.692 120.400 0.128 0.000 2.326 103 D HA 0.558 5.198 4.640 -0.000 0.000 0.248 103 D C -2.668 173.688 176.300 0.093 0.000 1.001 103 D CA -1.250 52.803 54.000 0.088 0.000 0.961 103 D CB 1.224 42.057 40.800 0.055 0.000 1.183 103 D HN 0.178 nan 8.370 nan 0.000 0.502 104 P HA 0.096 nan 4.420 nan 0.000 0.269 104 P C -1.556 175.769 177.300 0.042 0.000 1.215 104 P CA -0.693 62.447 63.100 0.065 0.000 0.780 104 P CB 0.236 31.958 31.700 0.036 0.000 0.898 105 P HA -0.008 nan 4.420 nan 0.000 0.235 105 P C 1.014 178.332 177.300 0.030 0.000 1.177 105 P CA 0.596 63.714 63.100 0.030 0.000 0.785 105 P CB -0.062 31.647 31.700 0.015 0.000 0.885 106 A N 1.109 123.953 122.820 0.040 0.000 1.892 106 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 106 A C 2.459 180.064 177.584 0.034 0.000 1.188 106 A CA 1.873 53.929 52.037 0.032 0.000 0.631 106 A CB -2.068 16.958 19.000 0.043 0.000 0.822 106 A HN 0.306 nan 8.150 nan 0.000 0.447 107 H N -0.164 118.893 119.070 -0.021 0.000 2.387 107 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 107 H C 1.899 177.181 175.328 -0.076 0.000 1.090 107 H CA 2.018 58.041 56.048 -0.041 0.000 1.332 107 H CB -0.320 29.408 29.762 -0.057 0.000 1.386 107 H HN 0.426 nan 8.280 nan 0.000 0.516 108 T N 0.926 115.433 114.554 -0.078 0.000 2.759 108 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 108 T C 2.144 176.740 174.700 -0.174 0.000 1.042 108 T CA 1.521 63.543 62.100 -0.129 0.000 1.140 108 T CB -0.141 68.712 68.868 -0.026 0.000 0.864 108 T HN 0.374 nan 8.240 nan 0.000 0.455 109 R N 0.749 121.173 120.500 -0.126 0.000 2.062 109 R HA -0.121 4.219 4.340 -0.000 0.000 0.231 109 R C 2.733 178.929 176.300 -0.173 0.000 1.136 109 R CA 1.983 58.013 56.100 -0.117 0.000 0.948 109 R CB -0.488 29.771 30.300 -0.068 0.000 0.845 109 R HN 0.548 nan 8.270 nan 0.000 0.430 110 T N -1.595 112.845 114.554 -0.191 0.000 2.904 110 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 110 T C 1.881 176.415 174.700 -0.276 0.000 1.059 110 T CA 1.016 62.992 62.100 -0.208 0.000 1.137 110 T CB -0.209 68.571 68.868 -0.147 0.000 0.879 110 T HN 0.191 nan 8.240 nan 0.000 0.467 111 R N 2.201 122.471 120.500 -0.384 0.000 2.075 111 R HA 0.239 4.579 4.340 -0.000 0.000 0.232 111 R C 2.602 178.736 176.300 -0.278 0.000 1.126 111 R CA 1.613 57.477 56.100 -0.393 0.000 0.963 111 R CB -1.210 28.708 30.300 -0.637 0.000 0.858 111 R HN 0.411 nan 8.270 nan 0.000 0.435 112 A N 0.025 122.691 122.820 -0.256 0.000 1.948 112 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 112 A C 2.315 179.720 177.584 -0.298 0.000 1.177 112 A CA 1.935 53.845 52.037 -0.211 0.000 0.636 112 A CB -0.784 18.121 19.000 -0.158 0.000 0.815 112 A HN 0.215 nan 8.150 nan 0.000 0.449 113 V N 0.023 119.673 119.914 -0.440 0.000 2.270 113 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 113 V C 2.558 178.348 176.094 -0.506 0.000 1.043 113 V CA 1.936 63.763 62.300 -0.788 0.000 1.014 113 V CB -0.743 30.589 31.823 -0.818 0.000 0.645 113 V HN 0.583 nan 8.190 nan 0.000 0.447 114 L N -0.218 120.810 121.223 -0.325 0.000 2.083 114 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 114 L C 2.689 179.447 176.870 -0.186 0.000 1.083 114 L CA 1.763 56.471 54.840 -0.219 0.000 0.752 114 L CB -0.683 41.281 42.059 -0.159 0.000 0.899 114 L HN 0.364 nan 8.230 nan 0.000 0.433 115 S N -0.091 115.505 115.700 -0.174 0.000 2.382 115 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 115 S C 1.974 176.516 174.600 -0.097 0.000 1.027 115 S CA 1.328 59.454 58.200 -0.123 0.000 0.991 115 S CB 0.039 63.174 63.200 -0.108 0.000 0.823 115 S HN 0.358 nan 8.310 nan 0.000 0.469 116 K N 0.299 120.641 120.400 -0.097 0.000 2.103 116 K HA 0.036 4.356 4.320 -0.000 0.000 0.204 116 K C 1.983 178.594 176.600 0.018 0.000 1.052 116 K CA 1.254 57.538 56.287 -0.005 0.000 0.945 116 K CB -0.237 32.315 32.500 0.088 0.000 0.722 116 K HN 0.220 nan 8.250 nan 0.000 0.443 117 V N 1.645 121.543 119.914 -0.027 0.000 2.427 117 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 117 V C 1.498 177.506 176.094 -0.142 0.000 1.051 117 V CA 1.344 63.637 62.300 -0.011 0.000 1.048 117 V CB -0.341 31.461 31.823 -0.036 0.000 0.666 117 V HN 0.258 nan 8.190 nan 0.000 0.456 118 L N 1.259 122.349 121.223 -0.222 0.000 3.073 118 L HA 0.269 4.609 4.340 -0.000 0.000 0.242 118 L C 0.832 177.624 176.870 -0.131 0.000 1.317 118 L CA -0.244 54.425 54.840 -0.285 0.000 1.081 118 L CB -0.175 41.685 42.059 -0.331 0.000 1.456 118 L HN 0.315 nan 8.230 nan 0.000 0.525 119 S N -1.570 114.091 115.700 -0.065 0.000 2.624 119 S HA 0.343 4.813 4.470 -0.000 0.000 0.263 119 S C -1.750 172.837 174.600 -0.023 0.000 1.287 119 S CA -1.014 57.167 58.200 -0.033 0.000 0.990 119 S CB 1.053 64.250 63.200 -0.005 0.000 0.950 119 S HN -0.039 nan 8.310 nan 0.000 0.561 120 P HA -0.020 nan 4.420 nan 0.000 0.215 120 P C 1.647 178.942 177.300 -0.008 0.000 1.153 120 P CA 1.898 64.988 63.100 -0.017 0.000 0.853 120 P CB -0.287 31.405 31.700 -0.013 0.000 0.788 121 A N -0.972 121.849 122.820 0.003 0.000 1.908 121 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 121 A C 2.252 179.846 177.584 0.018 0.000 1.181 121 A CA 2.480 54.523 52.037 0.010 0.000 0.627 121 A CB -1.908 17.102 19.000 0.017 0.000 0.818 121 A HN 0.156 nan 8.150 nan 0.000 0.445 122 T N -0.018 114.555 114.554 0.032 0.000 2.777 122 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 122 T C 1.973 176.695 174.700 0.036 0.000 1.040 122 T CA 1.650 63.791 62.100 0.067 0.000 1.141 122 T CB -0.249 68.691 68.868 0.120 0.000 0.868 122 T HN 0.301 nan 8.240 nan 0.000 0.444 123 M N 1.218 120.815 119.600 -0.004 0.000 2.117 123 M HA -0.003 4.477 4.480 -0.000 0.000 0.262 123 M C 2.199 178.446 176.300 -0.088 0.000 1.065 123 M CA 1.400 56.654 55.300 -0.077 0.000 1.114 123 M CB -1.097 31.457 32.600 -0.075 0.000 1.361 123 M HN 0.206 nan 8.290 nan 0.000 0.408 124 K N 0.357 120.733 120.400 -0.041 0.000 2.103 124 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 124 K C 2.218 178.804 176.600 -0.023 0.000 1.048 124 K CA 1.607 57.878 56.287 -0.027 0.000 0.930 124 K CB -0.062 32.432 32.500 -0.009 0.000 0.716 124 K HN 0.220 nan 8.250 nan 0.000 0.444 125 R N 0.464 120.956 120.500 -0.013 0.000 2.115 125 R HA -0.035 4.305 4.340 -0.000 0.000 0.226 125 R C 1.999 178.293 176.300 -0.010 0.000 1.100 125 R CA 1.015 57.115 56.100 0.000 0.000 0.980 125 R CB -0.041 30.270 30.300 0.018 0.000 0.875 125 R HN 0.233 nan 8.270 nan 0.000 0.445 126 L N -0.076 121.109 121.223 -0.064 0.000 2.375 126 L HA 0.084 4.424 4.340 -0.000 0.000 0.215 126 L C 2.621 179.419 176.870 -0.120 0.000 1.108 126 L CA 0.353 55.122 54.840 -0.118 0.000 0.830 126 L CB -0.415 41.430 42.059 -0.357 0.000 0.959 126 L HN 0.211 nan 8.230 nan 0.000 0.457 127 R N 0.983 121.409 120.500 -0.123 0.000 2.136 127 R HA -0.262 4.078 4.340 -0.000 0.000 0.242 127 R C 1.772 178.123 176.300 0.085 0.000 1.131 127 R CA 2.541 58.619 56.100 -0.036 0.000 0.937 127 R CB -0.235 30.052 30.300 -0.022 0.000 0.863 127 R HN 0.289 nan 8.270 nan 0.000 0.435 128 D N -1.002 119.443 120.400 0.074 0.000 2.104 128 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 128 D C 1.744 178.130 176.300 0.143 0.000 0.994 128 D CA 1.630 55.686 54.000 0.093 0.000 0.830 128 D CB -0.674 40.164 40.800 0.063 0.000 0.959 128 D HN 0.564 nan 8.370 nan 0.000 0.452 129 G N -0.279 108.629 108.800 0.179 0.000 2.418 129 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 129 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 129 G C 1.401 176.487 174.900 0.309 0.000 1.158 129 G CA 0.226 45.456 45.100 0.217 0.000 0.771 129 G HN 0.148 nan 8.290 nan 0.000 0.545 130 F N 1.763 121.766 119.950 0.088 0.000 2.146 130 F HA 0.122 4.649 4.527 -0.000 0.000 0.298 130 F C 2.981 178.899 175.800 0.197 0.000 1.096 130 F CA 0.428 58.525 58.000 0.161 0.000 1.275 130 F CB -0.708 38.391 39.000 0.165 0.000 1.008 130 F HN 0.248 nan 8.300 nan 0.000 0.480 131 A N -0.057 122.947 122.820 0.308 0.000 1.877 131 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 131 A C 2.457 180.122 177.584 0.134 0.000 1.186 131 A CA 1.813 53.955 52.037 0.173 0.000 0.620 131 A CB -1.346 17.725 19.000 0.118 0.000 0.822 131 A HN 0.284 nan 8.150 nan 0.000 0.443 132 A N -0.156 122.742 122.820 0.130 0.000 1.940 132 A HA 0.103 4.423 4.320 -0.000 0.000 0.219 132 A C 2.473 180.117 177.584 0.100 0.000 1.176 132 A CA 2.248 54.342 52.037 0.094 0.000 0.631 132 A CB -0.949 18.100 19.000 0.081 0.000 0.814 132 A HN 1.079 nan 8.150 nan 0.000 0.446 133 A N -0.409 122.495 122.820 0.139 0.000 1.930 133 A HA 0.252 4.572 4.320 -0.000 0.000 0.217 133 A C 2.473 180.202 177.584 0.241 0.000 1.175 133 A CA 1.817 53.949 52.037 0.159 0.000 0.627 133 A CB -0.883 18.178 19.000 0.102 0.000 0.815 133 A HN 0.985 nan 8.150 nan 0.000 0.443 134 A N 0.426 123.386 122.820 0.234 0.000 1.873 134 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 134 A C 1.759 179.333 177.584 -0.017 0.000 1.186 134 A CA 1.838 53.851 52.037 -0.040 0.000 0.616 134 A CB -0.615 18.258 19.000 -0.212 0.000 0.823 134 A HN 0.444 nan 8.150 nan 0.000 0.442 135 D N 0.312 120.724 120.400 0.021 0.000 2.104 135 D HA -0.095 4.545 4.640 -0.000 0.000 0.194 135 D C 2.207 178.523 176.300 0.027 0.000 0.994 135 D CA 1.662 55.674 54.000 0.020 0.000 0.830 135 D CB -0.571 40.247 40.800 0.030 0.000 0.959 135 D HN 0.429 nan 8.370 nan 0.000 0.452 136 A N 0.839 123.684 122.820 0.042 0.000 1.902 136 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 136 A C 2.082 179.689 177.584 0.038 0.000 1.181 136 A CA 2.057 54.118 52.037 0.039 0.000 0.623 136 A CB -0.423 18.604 19.000 0.044 0.000 0.818 136 A HN 0.115 nan 8.150 nan 0.000 0.443 137 K N 0.170 120.603 120.400 0.055 0.000 2.026 137 K HA -0.097 4.223 4.320 -0.000 0.000 0.208 137 K C 1.583 178.196 176.600 0.023 0.000 1.048 137 K CA 1.652 57.972 56.287 0.054 0.000 0.929 137 K CB -0.458 32.103 32.500 0.102 0.000 0.713 137 K HN 0.342 nan 8.250 nan 0.000 0.439 138 I N 1.785 122.358 120.570 0.005 0.000 2.226 138 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 138 I C 1.554 177.675 176.117 0.008 0.000 1.100 138 I CA 1.412 62.711 61.300 -0.002 0.000 1.374 138 I CB -1.246 36.749 38.000 -0.008 0.000 1.057 138 I HN 0.256 nan 8.210 nan 0.000 0.413 139 D N 0.560 120.968 120.400 0.013 0.000 2.117 139 D HA -0.221 4.418 4.640 -0.000 0.000 0.197 139 D C 2.071 178.379 176.300 0.012 0.000 0.987 139 D CA 1.139 55.148 54.000 0.014 0.000 0.829 139 D CB -0.154 40.656 40.800 0.017 0.000 0.961 139 D HN 0.461 nan 8.370 nan 0.000 0.460 140 E N 0.561 120.770 120.200 0.014 0.000 2.058 140 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 140 E C 2.394 178.998 176.600 0.008 0.000 0.997 140 E CA 0.682 57.089 56.400 0.012 0.000 0.801 140 E CB -0.105 29.605 29.700 0.017 0.000 0.746 140 E HN 0.226 nan 8.360 nan 0.000 0.450 141 L N 0.589 121.816 121.223 0.006 0.000 2.046 141 L HA -0.209 4.130 4.340 -0.000 0.000 0.208 141 L C 2.698 179.567 176.870 -0.002 0.000 1.077 141 L CA 0.874 55.714 54.840 0.000 0.000 0.747 141 L CB -0.438 41.618 42.059 -0.005 0.000 0.896 141 L HN 0.256 nan 8.230 nan 0.000 0.432 142 L N -0.346 120.877 121.223 0.001 0.000 2.131 142 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 142 L C 2.889 179.761 176.870 0.003 0.000 1.092 142 L CA 1.003 55.844 54.840 0.002 0.000 0.759 142 L CB -0.733 41.330 42.059 0.007 0.000 0.903 142 L HN 0.251 nan 8.230 nan 0.000 0.435 143 A N 0.537 123.360 122.820 0.004 0.000 1.902 143 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 143 A C 2.366 179.951 177.584 0.002 0.000 1.181 143 A CA 1.493 53.533 52.037 0.004 0.000 0.623 143 A CB -0.415 18.589 19.000 0.006 0.000 0.818 143 A HN 0.379 nan 8.150 nan 0.000 0.443 144 R N -1.050 119.451 120.500 0.001 0.000 2.115 144 R HA 0.287 4.627 4.340 -0.000 0.000 0.226 144 R C 0.964 177.262 176.300 -0.003 0.000 1.100 144 R CA 0.554 56.653 56.100 -0.001 0.000 0.980 144 R CB -0.266 30.032 30.300 -0.003 0.000 0.875 144 R HN 0.653 nan 8.270 nan 0.000 0.445 145 G N -1.817 106.981 108.800 -0.003 0.000 2.334 145 G HA2 0.035 3.995 3.960 -0.000 0.000 0.566 145 G HA3 0.035 3.995 3.960 -0.000 0.000 0.566 145 G C 0.250 175.145 174.900 -0.009 0.000 1.413 145 G CA -0.644 44.453 45.100 -0.005 0.000 0.993 145 G HN 0.087 nan 8.290 nan 0.000 0.642 146 G N -0.151 108.643 108.800 -0.011 0.000 2.509 146 G HA2 0.021 3.981 3.960 -0.000 0.000 0.218 146 G HA3 0.021 3.981 3.960 -0.000 0.000 0.218 146 G C 0.802 175.688 174.900 -0.025 0.000 1.124 146 G CA 0.841 45.930 45.100 -0.019 0.000 0.776 146 G HN 1.171 nan 8.290 nan 0.000 0.547 147 N N 1.141 119.829 118.700 -0.020 0.000 2.498 147 N HA 0.228 4.968 4.740 -0.000 0.000 0.277 147 N C -0.343 175.154 175.510 -0.022 0.000 1.208 147 N CA 0.209 53.246 53.050 -0.022 0.000 1.029 147 N CB 0.431 38.908 38.487 -0.017 0.000 1.403 147 N HN 0.370 nan 8.380 nan 0.000 0.500 148 I N -2.871 117.683 120.570 -0.027 0.000 3.264 148 I HA 0.484 4.654 4.170 -0.000 0.000 0.315 148 I C -0.799 175.300 176.117 -0.031 0.000 1.154 148 I CA -1.308 59.977 61.300 -0.025 0.000 0.962 148 I CB 1.583 39.570 38.000 -0.021 0.000 1.265 148 I HN -0.080 nan 8.210 nan 0.000 0.463 149 D N 2.076 122.458 120.400 -0.029 0.000 2.396 149 D HA 0.497 5.137 4.640 -0.000 0.000 0.225 149 D C 1.016 177.294 176.300 -0.035 0.000 1.121 149 D CA -0.060 53.918 54.000 -0.037 0.000 0.853 149 D CB 1.846 42.624 40.800 -0.037 0.000 1.043 149 D HN 0.832 nan 8.370 nan 0.000 0.500 150 A N 4.912 127.707 122.820 -0.042 0.000 2.139 150 A HA -0.181 4.139 4.320 -0.000 0.000 0.221 150 A C 1.805 179.372 177.584 -0.028 0.000 1.159 150 A CA 0.968 52.984 52.037 -0.035 0.000 0.662 150 A CB -0.267 18.709 19.000 -0.039 0.000 0.796 150 A HN 0.656 nan 8.150 nan 0.000 0.463 151 I N -0.864 119.681 120.570 -0.041 0.000 2.490 151 I HA -0.009 4.160 4.170 -0.000 0.000 0.234 151 I C 2.932 179.038 176.117 -0.018 0.000 1.066 151 I CA 1.186 62.464 61.300 -0.037 0.000 1.405 151 I CB -1.824 36.137 38.000 -0.065 0.000 1.191 151 I HN 0.279 nan 8.210 nan 0.000 0.433 152 A N 0.923 123.729 122.820 -0.024 0.000 1.908 152 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 152 A C 1.791 179.374 177.584 -0.001 0.000 1.181 152 A CA 2.141 54.170 52.037 -0.013 0.000 0.627 152 A CB -0.739 18.250 19.000 -0.019 0.000 0.818 152 A HN 0.513 nan 8.150 nan 0.000 0.445 153 D N -1.764 118.635 120.400 -0.003 0.000 2.355 153 D HA 0.139 4.779 4.640 -0.000 0.000 0.218 153 D C 1.256 177.569 176.300 0.022 0.000 1.004 153 D CA 0.783 54.786 54.000 0.006 0.000 0.880 153 D CB 0.702 41.500 40.800 -0.003 0.000 0.911 153 D HN 0.412 nan 8.370 nan 0.000 0.528 154 L N -0.510 120.729 121.223 0.027 0.000 2.437 154 L HA 0.330 4.670 4.340 -0.000 0.000 0.188 154 L C 1.785 178.704 176.870 0.081 0.000 1.123 154 L CA 0.551 55.421 54.840 0.050 0.000 0.981 154 L CB -0.803 41.265 42.059 0.015 0.000 1.935 154 L HN -0.161 nan 8.230 nan 0.000 0.494 155 A N -0.096 122.755 122.820 0.052 0.000 1.940 155 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 155 A C 1.927 179.555 177.584 0.074 0.000 1.176 155 A CA 2.256 54.333 52.037 0.065 0.000 0.631 155 A CB -0.461 18.557 19.000 0.029 0.000 0.814 155 A HN 0.654 nan 8.150 nan 0.000 0.446 156 E N -0.948 119.283 120.200 0.051 0.000 2.132 156 E HA 0.193 4.543 4.350 -0.000 0.000 0.193 156 E C 2.376 179.005 176.600 0.048 0.000 0.951 156 E CA 0.483 56.910 56.400 0.044 0.000 0.843 156 E CB -0.225 29.487 29.700 0.020 0.000 0.807 156 E HN 0.513 nan 8.360 nan 0.000 0.467 157 A N 1.368 124.217 122.820 0.049 0.000 1.883 157 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 157 A C 2.093 179.707 177.584 0.050 0.000 1.186 157 A CA 1.652 53.714 52.037 0.042 0.000 0.624 157 A CB -0.891 18.136 19.000 0.045 0.000 0.822 157 A HN 0.374 nan 8.150 nan 0.000 0.444 158 Y N 1.546 121.837 120.300 -0.015 0.000 2.089 158 Y HA -0.122 4.428 4.550 -0.000 0.000 0.282 158 Y C -0.440 175.436 175.900 -0.039 0.000 1.139 158 Y CA 2.287 60.367 58.100 -0.033 0.000 1.123 158 Y CB -1.051 37.391 38.460 -0.030 0.000 0.980 158 Y HN 0.288 nan 8.280 nan 0.000 0.493 159 P HA -0.180 nan 4.420 nan 0.000 0.218 159 P C 1.705 178.959 177.300 -0.078 0.000 1.149 159 P CA 1.637 64.646 63.100 -0.151 0.000 0.817 159 P CB -0.202 31.518 31.700 0.032 0.000 0.785 160 L N 0.045 121.246 121.223 -0.036 0.000 2.353 160 L HA -0.123 4.217 4.340 -0.000 0.000 0.220 160 L C 2.709 179.533 176.870 -0.076 0.000 1.133 160 L CA 1.555 56.391 54.840 -0.008 0.000 0.798 160 L CB -0.653 41.408 42.059 0.004 0.000 0.922 160 L HN 0.177 nan 8.230 nan 0.000 0.445 161 S N -0.902 114.691 115.700 -0.177 0.000 2.370 161 S HA -0.088 4.382 4.470 -0.000 0.000 0.214 161 S C 1.877 176.299 174.600 -0.298 0.000 1.033 161 S CA 0.606 58.679 58.200 -0.213 0.000 0.941 161 S CB -0.703 62.366 63.200 -0.218 0.000 0.886 161 S HN 0.188 nan 8.310 nan 0.000 0.521 162 V N -0.889 118.706 119.914 -0.533 0.000 2.427 162 V HA 0.063 4.183 4.120 -0.000 0.000 0.248 162 V C 2.179 178.043 176.094 -0.384 0.000 1.051 162 V CA 1.523 63.414 62.300 -0.683 0.000 1.048 162 V CB -1.452 29.529 31.823 -1.404 0.000 0.666 162 V HN 0.373 nan 8.190 nan 0.000 0.456 163 F N 2.983 122.725 119.950 -0.346 0.000 2.113 163 F HA 0.167 4.694 4.527 -0.000 0.000 0.297 163 F C -0.179 175.588 175.800 -0.055 0.000 1.103 163 F CA 1.162 59.113 58.000 -0.083 0.000 1.248 163 F CB -1.679 37.328 39.000 0.011 0.000 0.999 163 F HN 0.255 nan 8.300 nan 0.000 0.475 164 P HA -0.095 nan 4.420 nan 0.000 0.220 164 P C 1.134 178.290 177.300 -0.240 0.000 1.148 164 P CA 1.635 64.565 63.100 -0.284 0.000 0.803 164 P CB 0.033 31.645 31.700 -0.146 0.000 0.782 165 D N -0.539 119.743 120.400 -0.197 0.000 2.097 165 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 165 D C 2.041 178.217 176.300 -0.207 0.000 0.989 165 D CA 1.556 55.454 54.000 -0.170 0.000 0.827 165 D CB -0.853 39.854 40.800 -0.154 0.000 0.966 165 D HN 0.003 nan 8.370 nan 0.000 0.456 166 A N 0.349 123.026 122.820 -0.238 0.000 2.015 166 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 166 A C 2.086 179.188 177.584 -0.805 0.000 1.163 166 A CA 1.045 52.798 52.037 -0.474 0.000 0.646 166 A CB -0.340 18.453 19.000 -0.345 0.000 0.806 166 A HN 0.117 nan 8.150 nan 0.000 0.448 167 M N -1.885 117.400 119.600 -0.526 0.000 2.319 167 M HA 0.058 4.538 4.480 -0.000 0.000 0.265 167 M C 1.614 177.799 176.300 -0.192 0.000 1.068 167 M CA 1.379 56.485 55.300 -0.323 0.000 1.118 167 M CB -0.906 31.483 32.600 -0.352 0.000 1.395 167 M HN 0.813 nan 8.290 nan 0.000 0.435 168 G N 0.789 109.470 108.800 -0.199 0.000 2.134 168 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.209 168 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.209 168 G C -0.274 174.560 174.900 -0.109 0.000 0.993 168 G CA -0.414 44.611 45.100 -0.125 0.000 0.669 168 G HN 0.296 nan 8.290 nan 0.000 0.519 169 L N 1.434 122.577 121.223 -0.133 0.000 2.417 169 L HA 0.465 4.805 4.340 -0.000 0.000 0.268 169 L C 1.396 178.210 176.870 -0.093 0.000 1.158 169 L CA -0.396 54.375 54.840 -0.115 0.000 0.819 169 L CB 0.827 42.808 42.059 -0.129 0.000 1.112 169 L HN 0.452 nan 8.230 nan 0.000 0.458 170 K N 2.356 122.710 120.400 -0.078 0.000 2.397 170 K HA 0.019 4.339 4.320 -0.000 0.000 0.265 170 K C 0.352 176.927 176.600 -0.041 0.000 0.982 170 K CA -0.344 55.910 56.287 -0.055 0.000 0.931 170 K CB 0.493 32.966 32.500 -0.045 0.000 0.943 170 K HN 0.454 nan 8.250 nan 0.000 0.501 171 Q N 1.206 120.986 119.800 -0.033 0.000 2.079 171 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 171 Q C 0.047 176.041 176.000 -0.009 0.000 0.974 171 Q CA 1.593 57.379 55.803 -0.028 0.000 0.840 171 Q CB -0.155 28.567 28.738 -0.027 0.000 0.898 171 Q HN 0.691 nan 8.270 nan 0.000 0.430 172 E N -0.790 119.415 120.200 0.007 0.000 2.349 172 E HA 0.348 4.698 4.350 -0.000 0.000 0.262 172 E C 0.416 177.054 176.600 0.062 0.000 1.088 172 E CA 0.219 56.634 56.400 0.025 0.000 0.899 172 E CB 0.565 30.282 29.700 0.027 0.000 1.044 172 E HN 0.372 nan 8.360 nan 0.000 0.420 173 G N 1.423 110.255 108.800 0.054 0.000 2.143 173 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.248 173 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.248 173 G C 0.768 175.708 174.900 0.067 0.000 0.991 173 G CA 0.456 45.597 45.100 0.068 0.000 0.689 173 G HN 0.547 nan 8.290 nan 0.000 0.522 174 R N 0.011 120.534 120.500 0.038 0.000 2.328 174 R HA 0.050 4.390 4.340 -0.000 0.000 0.207 174 R C 1.941 178.241 176.300 -0.000 0.000 1.056 174 R CA 1.282 57.399 56.100 0.028 0.000 1.016 174 R CB -0.108 30.197 30.300 0.009 0.000 0.872 174 R HN 0.542 nan 8.270 nan 0.000 0.471 175 E N 0.763 120.949 120.200 -0.024 0.000 2.333 175 E HA -0.183 4.167 4.350 -0.000 0.000 0.198 175 E C 0.888 177.419 176.600 -0.115 0.000 1.007 175 E CA 1.256 57.624 56.400 -0.052 0.000 0.845 175 E CB -0.288 29.382 29.700 -0.049 0.000 0.766 175 E HN 0.636 nan 8.360 nan 0.000 0.507 176 N N -0.029 118.579 118.700 -0.154 0.000 2.214 176 N HA 0.110 4.850 4.740 -0.000 0.000 0.214 176 N C 1.128 176.532 175.510 -0.178 0.000 1.132 176 N CA -0.140 52.689 53.050 -0.369 0.000 0.856 176 N CB 0.173 38.355 38.487 -0.509 0.000 1.020 176 N HN 0.083 nan 8.380 nan 0.000 0.509 177 L N 0.494 121.708 121.223 -0.015 0.000 2.044 177 L HA -0.012 4.328 4.340 -0.000 0.000 0.205 177 L C 2.303 179.250 176.870 0.128 0.000 1.075 177 L CA 0.968 55.873 54.840 0.108 0.000 0.747 177 L CB -0.257 41.867 42.059 0.109 0.000 0.903 177 L HN 0.234 nan 8.230 nan 0.000 0.435 178 L N -0.417 120.835 121.223 0.049 0.000 2.093 178 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 178 L C -0.182 176.695 176.870 0.012 0.000 1.085 178 L CA 1.239 56.104 54.840 0.042 0.000 0.755 178 L CB -1.710 40.360 42.059 0.019 0.000 0.904 178 L HN 0.205 nan 8.230 nan 0.000 0.435 179 P HA -0.226 nan 4.420 nan 0.000 0.216 179 P C 1.380 178.716 177.300 0.060 0.000 1.153 179 P CA 1.324 64.400 63.100 -0.039 0.000 0.848 179 P CB -0.058 31.492 31.700 -0.249 0.000 0.787 180 Y N 0.752 121.040 120.300 -0.020 0.000 2.163 180 Y HA -0.094 4.456 4.550 -0.000 0.000 0.288 180 Y C 2.241 178.180 175.900 0.065 0.000 1.136 180 Y CA 1.608 59.756 58.100 0.079 0.000 1.147 180 Y CB -1.051 37.467 38.460 0.097 0.000 0.987 180 Y HN -0.139 nan 8.280 nan 0.000 0.509 181 A N 0.146 122.894 122.820 -0.121 0.000 2.121 181 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 181 A C 2.363 179.879 177.584 -0.113 0.000 1.154 181 A CA 1.137 53.080 52.037 -0.157 0.000 0.679 181 A CB -1.571 17.490 19.000 0.102 0.000 0.795 181 A HN 0.612 nan 8.150 nan 0.000 0.458 182 G N -0.156 108.599 108.800 -0.074 0.000 2.470 182 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.220 182 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.220 182 G C 1.384 176.249 174.900 -0.059 0.000 1.121 182 G CA 1.135 46.218 45.100 -0.029 0.000 0.766 182 G HN 0.491 nan 8.290 nan 0.000 0.553 183 L N 0.958 122.093 121.223 -0.147 0.000 2.027 183 L HA 0.014 4.354 4.340 -0.000 0.000 0.206 183 L C 2.871 179.600 176.870 -0.236 0.000 1.074 183 L CA 1.357 56.108 54.840 -0.150 0.000 0.745 183 L CB -0.703 41.251 42.059 -0.175 0.000 0.898 183 L HN 0.081 nan 8.230 nan 0.000 0.433 184 V N 0.222 119.919 119.914 -0.361 0.000 2.241 184 V HA -0.426 3.694 4.120 -0.000 0.000 0.256 184 V C 2.307 177.805 176.094 -0.994 0.000 1.060 184 V CA 2.844 64.762 62.300 -0.637 0.000 1.065 184 V CB -1.310 30.113 31.823 -0.667 0.000 0.685 184 V HN 0.426 nan 8.190 nan 0.000 0.467 185 F N 0.097 119.773 119.950 -0.457 0.000 2.558 185 F HA 0.053 4.580 4.527 -0.000 0.000 0.298 185 F C 2.259 177.914 175.800 -0.241 0.000 1.119 185 F CA 0.773 58.505 58.000 -0.448 0.000 1.451 185 F CB -0.534 38.395 39.000 -0.118 0.000 1.091 185 F HN 0.159 nan 8.300 nan 0.000 0.563 186 N N 0.369 119.039 118.700 -0.051 0.000 2.354 186 N HA -0.016 4.724 4.740 -0.000 0.000 0.179 186 N C 2.018 177.554 175.510 0.043 0.000 1.021 186 N CA 0.931 54.003 53.050 0.037 0.000 0.887 186 N CB -0.138 38.372 38.487 0.038 0.000 0.974 186 N HN 0.247 nan 8.380 nan 0.000 0.437 187 A N -0.016 122.769 122.820 -0.059 0.000 2.121 187 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 187 A C 1.589 179.373 177.584 0.333 0.000 1.154 187 A CA 0.529 52.662 52.037 0.160 0.000 0.679 187 A CB -0.754 18.239 19.000 -0.010 0.000 0.795 187 A HN 0.285 nan 8.150 nan 0.000 0.458 188 F N -0.263 119.796 119.950 0.182 0.000 2.811 188 F HA 0.162 4.689 4.527 -0.000 0.000 0.301 188 F C 1.673 177.584 175.800 0.184 0.000 1.151 188 F CA -0.386 57.734 58.000 0.200 0.000 1.412 188 F CB 0.198 39.344 39.000 0.243 0.000 1.113 188 F HN 0.335 nan 8.300 nan 0.000 0.579 189 G N 0.514 109.448 108.800 0.225 0.000 2.613 189 G HA2 0.415 4.375 3.960 -0.000 0.000 0.303 189 G HA3 0.415 4.375 3.960 -0.000 0.000 0.303 189 G C -2.568 172.095 174.900 -0.396 0.000 1.312 189 G CA -1.365 43.627 45.100 -0.180 0.000 1.036 189 G HN -0.235 nan 8.290 nan 0.000 0.513 190 P HA 0.223 nan 4.420 nan 0.000 0.274 190 P C -2.571 174.553 177.300 -0.293 0.000 1.256 190 P CA -1.361 61.416 63.100 -0.539 0.000 0.795 190 P CB 0.845 32.090 31.700 -0.758 0.000 1.038 191 P HA 0.079 nan 4.420 nan 0.000 0.237 191 P C -0.379 176.868 177.300 -0.088 0.000 1.788 191 P CA 0.168 63.142 63.100 -0.212 0.000 1.061 191 P CB -0.881 30.660 31.700 -0.266 0.000 1.967 192 N N 0.165 118.834 118.700 -0.051 0.000 2.725 192 N HA 0.221 4.961 4.740 -0.000 0.000 0.312 192 N C 0.676 176.200 175.510 0.024 0.000 1.295 192 N CA -0.908 52.154 53.050 0.019 0.000 0.914 192 N CB 1.076 39.605 38.487 0.069 0.000 1.177 192 N HN -0.058 nan 8.380 nan 0.000 0.601 193 E N 0.055 120.284 120.200 0.049 0.000 2.118 193 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 193 E C 1.893 178.532 176.600 0.065 0.000 0.992 193 E CA 1.058 57.488 56.400 0.050 0.000 0.804 193 E CB -0.261 29.472 29.700 0.055 0.000 0.741 193 E HN 0.487 nan 8.360 nan 0.000 0.458 194 L N 0.607 121.886 121.223 0.092 0.000 2.046 194 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 194 L C 2.806 179.721 176.870 0.075 0.000 1.077 194 L CA 1.028 55.933 54.840 0.108 0.000 0.747 194 L CB -0.397 41.761 42.059 0.164 0.000 0.896 194 L HN 0.089 nan 8.230 nan 0.000 0.432 195 R N 0.206 120.738 120.500 0.052 0.000 2.070 195 R HA -0.165 4.175 4.340 -0.000 0.000 0.233 195 R C 2.275 178.595 176.300 0.032 0.000 1.137 195 R CA 1.709 57.829 56.100 0.033 0.000 0.945 195 R CB -0.439 29.846 30.300 -0.025 0.000 0.845 195 R HN 0.527 nan 8.270 nan 0.000 0.430 196 Q N -0.504 119.305 119.800 0.015 0.000 2.096 196 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 196 Q C 2.154 178.176 176.000 0.036 0.000 0.982 196 Q CA 1.884 57.698 55.803 0.018 0.000 0.850 196 Q CB -0.124 28.619 28.738 0.008 0.000 0.901 196 Q HN 0.194 nan 8.270 nan 0.000 0.422 197 S N 0.575 116.300 115.700 0.043 0.000 2.383 197 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 197 S C 2.043 176.673 174.600 0.050 0.000 1.026 197 S CA 0.905 59.134 58.200 0.048 0.000 0.981 197 S CB -0.186 63.047 63.200 0.056 0.000 0.818 197 S HN 0.503 nan 8.310 nan 0.000 0.472 198 A N 1.311 124.161 122.820 0.049 0.000 1.929 198 A HA 0.056 4.376 4.320 -0.000 0.000 0.216 198 A C 2.019 179.629 177.584 0.044 0.000 1.176 198 A CA 0.845 52.906 52.037 0.041 0.000 0.628 198 A CB -0.581 18.436 19.000 0.030 0.000 0.816 198 A HN 0.464 nan 8.150 nan 0.000 0.444 199 I N -0.365 120.240 120.570 0.058 0.000 2.179 199 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 199 I C 2.501 178.657 176.117 0.065 0.000 1.088 199 I CA 1.701 63.044 61.300 0.072 0.000 1.357 199 I CB -0.420 37.638 38.000 0.097 0.000 1.051 199 I HN 0.431 nan 8.210 nan 0.000 0.409 200 E N 0.221 120.454 120.200 0.055 0.000 2.106 200 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 200 E C 2.277 178.911 176.600 0.056 0.000 0.984 200 E CA 0.760 57.188 56.400 0.047 0.000 0.806 200 E CB -0.101 29.622 29.700 0.038 0.000 0.750 200 E HN 0.338 nan 8.360 nan 0.000 0.458 201 R N 0.363 120.906 120.500 0.071 0.000 2.115 201 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 201 R C 2.343 178.752 176.300 0.181 0.000 1.100 201 R CA 1.255 57.418 56.100 0.105 0.000 0.980 201 R CB -0.031 30.321 30.300 0.087 0.000 0.875 201 R HN -0.004 nan 8.270 nan 0.000 0.445 202 S N -0.293 115.493 115.700 0.143 0.000 2.425 202 S HA 0.036 4.506 4.470 -0.000 0.000 0.225 202 S C 1.910 176.632 174.600 0.203 0.000 1.024 202 S CA 0.714 59.033 58.200 0.198 0.000 0.951 202 S CB -0.003 63.228 63.200 0.053 0.000 0.796 202 S HN 0.474 nan 8.310 nan 0.000 0.498 203 A N 2.628 125.510 122.820 0.104 0.000 1.896 203 A HA -0.098 4.221 4.320 -0.000 0.000 0.220 203 A C -0.130 177.452 177.584 -0.004 0.000 1.206 203 A CA 2.067 54.141 52.037 0.061 0.000 0.647 203 A CB -2.150 16.871 19.000 0.034 0.000 0.828 203 A HN 0.527 nan 8.150 nan 0.000 0.455 204 P HA -0.103 nan 4.420 nan 0.000 0.226 204 P C 0.554 177.587 177.300 -0.445 0.000 1.146 204 P CA 1.222 64.120 63.100 -0.337 0.000 0.773 204 P CB -0.085 31.321 31.700 -0.490 0.000 0.772 205 H N -2.648 116.486 119.070 0.105 0.000 2.986 205 H HA 0.161 4.716 4.556 -0.000 0.000 0.267 205 H C 1.747 177.178 175.328 0.171 0.000 1.072 205 H CA 0.057 56.187 56.048 0.136 0.000 1.202 205 H CB 0.205 30.065 29.762 0.163 0.000 1.535 205 H HN 0.116 nan 8.280 nan 0.000 0.522 206 Q N 2.322 122.281 119.800 0.264 0.000 2.014 206 Q HA -0.117 4.223 4.340 -0.000 0.000 0.207 206 Q C 2.398 178.441 176.000 0.071 0.000 0.993 206 Q CA 2.424 58.357 55.803 0.216 0.000 0.850 206 Q CB -0.366 28.491 28.738 0.198 0.000 0.916 206 Q HN 0.324 nan 8.270 nan 0.000 0.417 207 A N -0.766 122.101 122.820 0.078 0.000 1.933 207 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 207 A C 2.098 179.707 177.584 0.042 0.000 1.175 207 A CA 1.559 53.622 52.037 0.044 0.000 0.628 207 A CB -1.180 17.848 19.000 0.048 0.000 0.814 207 A HN 0.672 nan 8.150 nan 0.000 0.444 208 Y N 0.495 120.777 120.300 -0.031 0.000 2.145 208 Y HA -0.190 4.360 4.550 -0.000 0.000 0.286 208 Y C 2.353 178.200 175.900 -0.089 0.000 1.145 208 Y CA 2.135 60.215 58.100 -0.033 0.000 1.148 208 Y CB -0.233 38.238 38.460 0.020 0.000 0.981 208 Y HN 0.073 nan 8.280 nan 0.000 0.507 209 V N 0.153 120.028 119.914 -0.064 0.000 2.453 209 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 209 V C 2.613 178.527 176.094 -0.300 0.000 1.048 209 V CA 1.548 63.671 62.300 -0.295 0.000 1.049 209 V CB -1.420 29.988 31.823 -0.693 0.000 0.672 209 V HN 0.552 nan 8.190 nan 0.000 0.457 210 A N 0.251 122.931 122.820 -0.232 0.000 1.933 210 A HA -0.258 4.061 4.320 -0.000 0.000 0.218 210 A C 2.188 179.699 177.584 -0.122 0.000 1.175 210 A CA 2.049 54.002 52.037 -0.141 0.000 0.628 210 A CB -0.471 18.485 19.000 -0.073 0.000 0.814 210 A HN 0.577 nan 8.150 nan 0.000 0.444 211 E N -0.129 119.981 120.200 -0.149 0.000 2.077 211 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 211 E C 1.922 178.414 176.600 -0.181 0.000 0.989 211 E CA 1.539 57.848 56.400 -0.153 0.000 0.800 211 E CB -0.234 29.358 29.700 -0.179 0.000 0.746 211 E HN 0.495 nan 8.360 nan 0.000 0.452 212 Q N -0.751 118.897 119.800 -0.254 0.000 2.437 212 Q HA -0.027 4.313 4.340 -0.000 0.000 0.210 212 Q C 1.634 177.556 176.000 -0.129 0.000 0.972 212 Q CA 0.744 56.412 55.803 -0.226 0.000 0.903 212 Q CB -0.345 28.219 28.738 -0.290 0.000 0.967 212 Q HN 0.386 nan 8.270 nan 0.000 0.486 213 C N 0.878 120.124 119.300 -0.091 0.000 2.791 213 C HA 0.146 4.605 4.460 -0.000 0.000 0.270 213 C C 0.759 175.803 174.990 0.089 0.000 1.257 213 C CA -0.496 58.522 59.018 0.001 0.000 1.699 213 C CB -0.276 27.462 27.740 -0.004 0.000 1.904 213 C HN 0.311 nan 8.230 nan 0.000 0.603 214 Q N 0.799 120.597 119.800 -0.002 0.000 2.327 214 Q HA 0.123 4.463 4.340 -0.000 0.000 0.254 214 Q C 1.211 177.094 176.000 -0.195 0.000 0.952 214 Q CA 0.027 55.813 55.803 -0.028 0.000 0.884 214 Q CB 0.517 29.221 28.738 -0.057 0.000 1.224 214 Q HN 0.455 nan 8.270 nan 0.000 0.422 215 R N 3.215 123.401 120.500 -0.523 0.000 2.119 215 R HA -0.181 4.159 4.340 -0.000 0.000 0.246 215 R C -0.868 175.241 176.300 -0.318 0.000 1.146 215 R CA 2.048 57.700 56.100 -0.747 0.000 0.962 215 R CB -1.048 28.788 30.300 -0.774 0.000 0.863 215 R HN 0.467 nan 8.270 nan 0.000 0.442 216 P HA -0.043 nan 4.420 nan 0.000 0.222 216 P C -0.233 176.999 177.300 -0.114 0.000 1.147 216 P CA 1.450 64.471 63.100 -0.132 0.000 0.790 216 P CB 0.014 31.654 31.700 -0.100 0.000 0.780 217 N N -1.596 117.031 118.700 -0.123 0.000 2.336 217 N HA 0.054 4.794 4.740 -0.000 0.000 0.189 217 N C -0.313 175.139 175.510 -0.098 0.000 1.113 217 N CA -0.209 52.776 53.050 -0.108 0.000 0.858 217 N CB 0.077 38.491 38.487 -0.121 0.000 0.970 217 N HN 0.000 nan 8.380 nan 0.000 0.471 218 L N 1.305 122.470 121.223 -0.095 0.000 2.334 218 L HA 0.482 4.822 4.340 -0.000 0.000 0.277 218 L C 0.490 177.325 176.870 -0.058 0.000 1.075 218 L CA -0.917 53.884 54.840 -0.065 0.000 0.804 218 L CB 0.644 42.686 42.059 -0.027 0.000 1.174 218 L HN -0.019 nan 8.230 nan 0.000 0.438 219 A N 5.285 128.072 122.820 -0.054 0.000 2.425 219 A HA 0.567 4.887 4.320 -0.000 0.000 0.249 219 A C -2.129 175.436 177.584 -0.033 0.000 1.084 219 A CA -0.912 51.096 52.037 -0.048 0.000 0.781 219 A CB -0.501 18.466 19.000 -0.055 0.000 1.019 219 A HN 0.562 nan 8.150 nan 0.000 0.490 220 P HA 0.326 nan 4.420 nan 0.000 0.269 220 P C 1.105 178.401 177.300 -0.007 0.000 1.209 220 P CA 1.494 64.587 63.100 -0.013 0.000 0.776 220 P CB 0.719 32.410 31.700 -0.015 0.000 0.876 221 G N 0.873 109.680 108.800 0.013 0.000 2.267 221 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.257 221 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.257 221 G C 0.704 175.619 174.900 0.025 0.000 0.998 221 G CA 0.043 45.156 45.100 0.021 0.000 0.620 221 G HN 0.908 nan 8.290 nan 0.000 0.529 222 G N -0.961 107.838 108.800 -0.002 0.000 2.621 222 G HA2 0.511 4.471 3.960 -0.000 0.000 0.271 222 G HA3 0.511 4.471 3.960 -0.000 0.000 0.271 222 G C 0.936 175.900 174.900 0.107 0.000 1.236 222 G CA -0.055 45.012 45.100 -0.056 0.000 0.958 222 G HN 0.234 nan 8.290 nan 0.000 0.512 223 F N 0.394 120.373 119.950 0.048 0.000 2.126 223 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 223 F C 2.904 178.742 175.800 0.063 0.000 1.096 223 F CA 0.686 58.722 58.000 0.061 0.000 1.255 223 F CB -0.149 38.886 39.000 0.059 0.000 0.997 223 F HN 0.542 nan 8.300 nan 0.000 0.479 224 G N 0.022 108.965 108.800 0.238 0.000 2.459 224 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 224 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 224 G C 1.811 176.871 174.900 0.266 0.000 1.183 224 G CA 0.911 46.130 45.100 0.198 0.000 0.776 224 G HN 0.430 nan 8.290 nan 0.000 0.552 225 A N -0.198 122.739 122.820 0.196 0.000 1.933 225 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 225 A C 2.563 180.263 177.584 0.194 0.000 1.175 225 A CA 1.806 53.949 52.037 0.177 0.000 0.628 225 A CB -0.931 18.116 19.000 0.078 0.000 0.814 225 A HN 0.437 nan 8.150 nan 0.000 0.444 226 C N -0.724 118.692 119.300 0.193 0.000 2.435 226 C HA -0.021 4.439 4.460 -0.000 0.000 0.279 226 C C 2.523 177.695 174.990 0.305 0.000 1.321 226 C CA 0.757 59.899 59.018 0.207 0.000 1.752 226 C CB -1.296 26.584 27.740 0.232 0.000 1.959 226 C HN 0.620 nan 8.230 nan 0.000 0.500 227 I N -0.235 120.490 120.570 0.258 0.000 2.252 227 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 227 I C 2.595 178.824 176.117 0.186 0.000 1.102 227 I CA 1.359 62.782 61.300 0.205 0.000 1.385 227 I CB -0.675 37.328 38.000 0.005 0.000 1.064 227 I HN 0.487 nan 8.210 nan 0.000 0.414 228 H N 0.612 119.772 119.070 0.150 0.000 2.456 228 H HA -0.067 4.489 4.556 -0.000 0.000 0.296 228 H C 2.297 177.679 175.328 0.089 0.000 1.079 228 H CA 1.404 57.512 56.048 0.099 0.000 1.322 228 H CB 0.013 29.806 29.762 0.051 0.000 1.388 228 H HN 0.354 nan 8.280 nan 0.000 0.538 229 A N 0.562 123.487 122.820 0.175 0.000 2.019 229 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 229 A C 1.926 179.471 177.584 -0.066 0.000 1.164 229 A CA 0.926 52.970 52.037 0.011 0.000 0.644 229 A CB -0.987 17.957 19.000 -0.092 0.000 0.805 229 A HN 0.233 nan 8.150 nan 0.000 0.449 230 F N 0.261 120.222 119.950 0.018 0.000 2.604 230 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 230 F C 2.486 178.286 175.800 -0.001 0.000 1.131 230 F CA 1.141 59.141 58.000 -0.001 0.000 1.457 230 F CB -0.031 38.957 39.000 -0.020 0.000 1.095 230 F HN 0.133 nan 8.300 nan 0.000 0.574 231 S N -0.474 115.319 115.700 0.155 0.000 2.395 231 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 231 S C 1.513 176.151 174.600 0.063 0.000 1.027 231 S CA 0.986 59.247 58.200 0.102 0.000 0.965 231 S CB -0.181 63.084 63.200 0.109 0.000 0.812 231 S HN 0.309 nan 8.310 nan 0.000 0.482 232 D N 1.354 121.779 120.400 0.041 0.000 2.263 232 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 232 D C 2.137 178.435 176.300 -0.002 0.000 0.971 232 D CA 1.542 55.547 54.000 0.010 0.000 0.867 232 D CB -0.378 40.414 40.800 -0.013 0.000 0.929 232 D HN 0.596 nan 8.370 nan 0.000 0.492 233 T N -4.279 110.273 114.554 -0.003 0.000 3.040 233 T HA 0.351 4.701 4.350 -0.000 0.000 0.252 233 T C 1.717 176.433 174.700 0.027 0.000 1.064 233 T CA 0.845 62.944 62.100 -0.003 0.000 1.110 233 T CB 0.863 69.713 68.868 -0.029 0.000 0.921 233 T HN 0.182 nan 8.240 nan 0.000 0.480 234 G N 1.292 110.121 108.800 0.049 0.000 2.231 234 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.206 234 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.206 234 G C 0.699 175.636 174.900 0.061 0.000 0.996 234 G CA 0.690 45.818 45.100 0.047 0.000 0.645 234 G HN 0.546 nan 8.290 nan 0.000 0.498 235 E N 0.960 121.222 120.200 0.103 0.000 2.130 235 E HA -0.012 4.338 4.350 -0.000 0.000 0.196 235 E C 1.328 177.959 176.600 0.051 0.000 0.998 235 E CA 1.846 58.307 56.400 0.101 0.000 0.806 235 E CB -0.151 29.676 29.700 0.212 0.000 0.738 235 E HN 1.173 nan 8.360 nan 0.000 0.459 236 I N -3.225 117.383 120.570 0.064 0.000 2.969 236 I HA 0.475 4.645 4.170 -0.000 0.000 0.307 236 I C -0.146 175.990 176.117 0.031 0.000 1.149 236 I CA -0.883 60.431 61.300 0.022 0.000 1.008 236 I CB 2.076 40.071 38.000 -0.008 0.000 1.232 236 I HN -0.097 nan 8.210 nan 0.000 0.435 237 T N -0.329 114.234 114.554 0.014 0.000 2.849 237 T HA 0.454 4.804 4.350 -0.000 0.000 0.284 237 T C -2.055 172.661 174.700 0.026 0.000 1.004 237 T CA -1.586 60.526 62.100 0.019 0.000 1.021 237 T CB 1.176 70.050 68.868 0.010 0.000 1.013 237 T HN 0.509 nan 8.240 nan 0.000 0.527 238 P HA -0.074 nan 4.420 nan 0.000 0.220 238 P C 1.486 178.816 177.300 0.051 0.000 1.148 238 P CA 0.732 63.868 63.100 0.060 0.000 0.803 238 P CB 0.091 31.823 31.700 0.053 0.000 0.782 239 E N 0.072 120.287 120.200 0.025 0.000 2.170 239 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 239 E C 1.620 178.220 176.600 -0.001 0.000 0.981 239 E CA 0.995 57.404 56.400 0.015 0.000 0.830 239 E CB -0.803 28.901 29.700 0.006 0.000 0.775 239 E HN 0.383 nan 8.360 nan 0.000 0.470 240 E N 1.479 121.672 120.200 -0.012 0.000 2.072 240 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 240 E C 2.163 178.724 176.600 -0.065 0.000 0.982 240 E CA 0.882 57.262 56.400 -0.032 0.000 0.803 240 E CB -0.166 29.514 29.700 -0.033 0.000 0.755 240 E HN 0.298 nan 8.360 nan 0.000 0.453 241 A N 2.492 125.259 122.820 -0.088 0.000 1.881 241 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 241 A C -0.092 177.309 177.584 -0.305 0.000 1.215 241 A CA 2.114 54.005 52.037 -0.243 0.000 0.648 241 A CB -1.813 17.002 19.000 -0.308 0.000 0.832 241 A HN 0.221 nan 8.150 nan 0.000 0.455 242 P HA -0.099 nan 4.420 nan 0.000 0.220 242 P C 1.251 178.538 177.300 -0.021 0.000 1.148 242 P CA 0.902 63.998 63.100 -0.008 0.000 0.803 242 P CB -0.115 31.649 31.700 0.105 0.000 0.782 243 L N -0.824 120.380 121.223 -0.031 0.000 2.109 243 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 243 L C 2.791 179.651 176.870 -0.017 0.000 1.086 243 L CA 1.492 56.323 54.840 -0.015 0.000 0.760 243 L CB -1.615 40.434 42.059 -0.018 0.000 0.910 243 L HN -0.115 nan 8.230 nan 0.000 0.437 244 L N -1.899 119.295 121.223 -0.050 0.000 2.141 244 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 244 L C 2.385 179.241 176.870 -0.023 0.000 1.094 244 L CA 0.401 55.212 54.840 -0.048 0.000 0.763 244 L CB -0.446 41.556 42.059 -0.094 0.000 0.908 244 L HN 0.064 nan 8.230 nan 0.000 0.437 245 V N -0.222 119.668 119.914 -0.039 0.000 2.307 245 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 245 V C 2.637 178.759 176.094 0.047 0.000 1.045 245 V CA 1.737 64.041 62.300 0.008 0.000 1.024 245 V CB -0.623 31.207 31.823 0.011 0.000 0.651 245 V HN 0.440 nan 8.190 nan 0.000 0.449 246 R N 0.527 121.050 120.500 0.040 0.000 2.120 246 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 246 R C 2.574 178.950 176.300 0.127 0.000 1.123 246 R CA 1.674 57.818 56.100 0.072 0.000 0.975 246 R CB -0.280 30.053 30.300 0.055 0.000 0.866 246 R HN 0.697 nan 8.270 nan 0.000 0.446 247 S N 0.366 116.123 115.700 0.094 0.000 2.382 247 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 247 S C 2.090 176.785 174.600 0.157 0.000 1.027 247 S CA 0.886 59.148 58.200 0.104 0.000 0.991 247 S CB -0.408 62.831 63.200 0.065 0.000 0.823 247 S HN 0.337 nan 8.310 nan 0.000 0.469 248 L N 0.572 121.898 121.223 0.173 0.000 2.046 248 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 248 L C 2.743 179.865 176.870 0.420 0.000 1.077 248 L CA 1.242 56.248 54.840 0.276 0.000 0.747 248 L CB -0.654 41.567 42.059 0.270 0.000 0.896 248 L HN 0.340 nan 8.230 nan 0.000 0.432 249 L N -0.872 120.550 121.223 0.332 0.000 1.994 249 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 249 L C 2.784 179.894 176.870 0.400 0.000 1.071 249 L CA 1.422 56.496 54.840 0.391 0.000 0.745 249 L CB -0.572 41.631 42.059 0.241 0.000 0.892 249 L HN 0.234 nan 8.230 nan 0.000 0.431 250 S N 0.186 116.075 115.700 0.314 0.000 2.359 250 S HA -0.253 4.216 4.470 -0.000 0.000 0.222 250 S C 2.066 176.805 174.600 0.231 0.000 1.038 250 S CA 1.541 59.862 58.200 0.201 0.000 1.051 250 S CB -0.488 62.761 63.200 0.082 0.000 0.944 250 S HN 0.526 nan 8.310 nan 0.000 0.433 251 A N 0.715 123.686 122.820 0.252 0.000 2.066 251 A HA 0.236 4.556 4.320 -0.000 0.000 0.218 251 A C 2.090 179.908 177.584 0.390 0.000 1.157 251 A CA 1.399 53.665 52.037 0.382 0.000 0.670 251 A CB -0.718 18.456 19.000 0.289 0.000 0.804 251 A HN 0.538 nan 8.150 nan 0.000 0.453 252 G N -1.173 107.813 108.800 0.310 0.000 2.833 252 G HA2 0.238 4.198 3.960 -0.000 0.000 0.210 252 G HA3 0.238 4.198 3.960 -0.000 0.000 0.210 252 G C 1.358 176.281 174.900 0.038 0.000 1.139 252 G CA 0.253 45.424 45.100 0.118 0.000 0.771 252 G HN 0.357 nan 8.290 nan 0.000 0.535 253 L N 0.399 121.753 121.223 0.219 0.000 1.982 253 L HA 0.028 4.368 4.340 -0.000 0.000 0.206 253 L C 2.419 179.349 176.870 0.100 0.000 1.078 253 L CA 1.203 56.155 54.840 0.185 0.000 0.749 253 L CB -0.320 41.892 42.059 0.255 0.000 0.894 253 L HN 0.002 nan 8.230 nan 0.000 0.436 254 D N -0.364 120.100 120.400 0.106 0.000 2.149 254 D HA -0.164 4.475 4.640 -0.000 0.000 0.198 254 D C 2.198 178.456 176.300 -0.070 0.000 0.990 254 D CA 1.944 55.953 54.000 0.015 0.000 0.839 254 D CB -0.329 40.480 40.800 0.015 0.000 0.948 254 D HN 0.439 nan 8.370 nan 0.000 0.460 255 T N -1.767 112.722 114.554 -0.109 0.000 2.708 255 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 255 T C 2.076 176.763 174.700 -0.022 0.000 1.037 255 T CA 1.874 63.890 62.100 -0.140 0.000 1.146 255 T CB -0.935 67.862 68.868 -0.118 0.000 0.865 255 T HN -0.021 nan 8.240 nan 0.000 0.435 256 T N 1.730 116.297 114.554 0.021 0.000 2.777 256 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 256 T C 2.187 176.941 174.700 0.089 0.000 1.040 256 T CA 1.129 63.275 62.100 0.076 0.000 1.141 256 T CB -0.619 68.243 68.868 -0.011 0.000 0.868 256 T HN 0.233 nan 8.240 nan 0.000 0.444 257 V N 2.554 122.496 119.914 0.047 0.000 2.295 257 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 257 V C 2.373 178.484 176.094 0.028 0.000 1.049 257 V CA 1.634 63.961 62.300 0.045 0.000 1.024 257 V CB -0.636 31.201 31.823 0.023 0.000 0.648 257 V HN 0.429 nan 8.190 nan 0.000 0.447 258 N N 0.785 119.477 118.700 -0.013 0.000 2.244 258 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 258 N C 1.812 177.315 175.510 -0.011 0.000 1.016 258 N CA 1.427 54.450 53.050 -0.045 0.000 0.866 258 N CB -0.687 37.738 38.487 -0.104 0.000 0.980 258 N HN 0.516 nan 8.380 nan 0.000 0.430 259 G N 1.035 109.859 108.800 0.040 0.000 2.414 259 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.215 259 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.215 259 G C 1.584 176.628 174.900 0.240 0.000 1.188 259 G CA 0.325 45.479 45.100 0.090 0.000 0.783 259 G HN 0.257 nan 8.290 nan 0.000 0.537 260 I N 1.487 122.236 120.570 0.299 0.000 2.286 260 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 260 I C 3.291 179.495 176.117 0.146 0.000 1.115 260 I CA 0.896 62.355 61.300 0.266 0.000 1.392 260 I CB -0.208 37.899 38.000 0.179 0.000 1.065 260 I HN 0.246 nan 8.210 nan 0.000 0.418 261 A N 0.877 123.748 122.820 0.084 0.000 1.908 261 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 261 A C 2.566 180.184 177.584 0.058 0.000 1.181 261 A CA 1.981 54.038 52.037 0.033 0.000 0.627 261 A CB -0.846 18.140 19.000 -0.023 0.000 0.818 261 A HN 0.434 nan 8.150 nan 0.000 0.445 262 A N -0.182 122.670 122.820 0.054 0.000 1.877 262 A HA 0.150 4.470 4.320 -0.000 0.000 0.216 262 A C 2.529 180.137 177.584 0.040 0.000 1.186 262 A CA 2.203 54.286 52.037 0.075 0.000 0.620 262 A CB -1.080 17.924 19.000 0.006 0.000 0.822 262 A HN 1.095 nan 8.150 nan 0.000 0.443 263 A N -0.643 122.208 122.820 0.052 0.000 1.902 263 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 263 A C 2.234 179.838 177.584 0.034 0.000 1.181 263 A CA 1.866 53.944 52.037 0.069 0.000 0.623 263 A CB -0.891 18.269 19.000 0.266 0.000 0.818 263 A HN 0.402 nan 8.150 nan 0.000 0.443 264 V N -1.371 118.576 119.914 0.055 0.000 2.358 264 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 264 V C 2.359 178.453 176.094 -0.000 0.000 1.047 264 V CA 1.924 64.230 62.300 0.010 0.000 1.035 264 V CB -1.031 30.797 31.823 0.008 0.000 0.658 264 V HN 0.698 nan 8.190 nan 0.000 0.452 265 Y N 0.688 120.915 120.300 -0.122 0.000 2.128 265 Y HA -0.289 4.261 4.550 -0.000 0.000 0.284 265 Y C 2.547 178.313 175.900 -0.224 0.000 1.154 265 Y CA 1.553 59.561 58.100 -0.153 0.000 1.149 265 Y CB -0.974 37.415 38.460 -0.117 0.000 0.976 265 Y HN 0.251 nan 8.280 nan 0.000 0.505 266 C N 0.106 119.177 119.300 -0.382 0.000 2.432 266 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 266 C C 2.909 177.646 174.990 -0.422 0.000 1.249 266 C CA 1.241 59.854 59.018 -0.675 0.000 1.725 266 C CB -1.493 25.471 27.740 -1.293 0.000 2.028 266 C HN 0.573 nan 8.230 nan 0.000 0.477 267 L N 0.959 122.060 121.223 -0.203 0.000 2.141 267 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 267 L C 2.799 179.616 176.870 -0.087 0.000 1.094 267 L CA 1.423 56.283 54.840 0.033 0.000 0.763 267 L CB -0.639 41.493 42.059 0.121 0.000 0.908 267 L HN 0.347 nan 8.230 nan 0.000 0.437 268 A N -0.385 122.321 122.820 -0.189 0.000 1.929 268 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 268 A C 2.473 179.913 177.584 -0.239 0.000 1.176 268 A CA 1.092 53.010 52.037 -0.198 0.000 0.628 268 A CB -0.385 18.532 19.000 -0.138 0.000 0.816 268 A HN 0.250 nan 8.150 nan 0.000 0.444 269 R N -1.562 118.676 120.500 -0.438 0.000 2.119 269 R HA 0.056 4.396 4.340 -0.000 0.000 0.222 269 R C -0.618 175.256 176.300 -0.710 0.000 1.088 269 R CA 0.576 56.268 56.100 -0.680 0.000 0.984 269 R CB -0.042 29.563 30.300 -1.159 0.000 0.884 269 R HN 0.491 nan 8.270 nan 0.000 0.447 270 F N 1.751 121.639 119.950 -0.103 0.000 2.319 270 F HA 0.323 4.850 4.527 -0.000 0.000 0.356 270 F C -1.409 174.417 175.800 0.043 0.000 1.100 270 F CA -2.230 55.753 58.000 -0.028 0.000 1.220 270 F CB 1.598 40.590 39.000 -0.014 0.000 1.506 270 F HN -0.029 nan 8.300 nan 0.000 0.512 271 P HA -0.247 nan 4.420 nan 0.000 0.218 271 P C 1.156 178.569 177.300 0.187 0.000 1.146 271 P CA 1.490 64.693 63.100 0.172 0.000 0.813 271 P CB 0.470 32.233 31.700 0.105 0.000 0.778 272 D N -0.425 120.065 120.400 0.150 0.000 2.224 272 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 272 D C 1.754 178.100 176.300 0.077 0.000 0.965 272 D CA 0.799 54.853 54.000 0.090 0.000 0.852 272 D CB 0.170 41.003 40.800 0.055 0.000 0.947 272 D HN 0.088 nan 8.370 nan 0.000 0.494 273 E N -0.140 120.143 120.200 0.138 0.000 2.112 273 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 273 E C 1.855 178.544 176.600 0.149 0.000 0.979 273 E CA 0.186 56.650 56.400 0.106 0.000 0.814 273 E CB -0.495 29.311 29.700 0.175 0.000 0.762 273 E HN 0.336 nan 8.360 nan 0.000 0.460 274 F N 1.697 121.699 119.950 0.086 0.000 2.293 274 F HA -0.018 4.509 4.527 -0.000 0.000 0.300 274 F C 2.064 177.884 175.800 0.035 0.000 1.086 274 F CA 0.920 58.958 58.000 0.064 0.000 1.375 274 F CB -0.161 38.871 39.000 0.053 0.000 1.045 274 F HN -0.052 nan 8.300 nan 0.000 0.516 275 A N 0.568 123.339 122.820 -0.082 0.000 1.930 275 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 275 A C 2.379 179.857 177.584 -0.177 0.000 1.175 275 A CA 1.313 53.255 52.037 -0.159 0.000 0.627 275 A CB -0.572 18.407 19.000 -0.034 0.000 0.815 275 A HN 0.400 nan 8.150 nan 0.000 0.443 276 R N -1.111 119.320 120.500 -0.115 0.000 2.081 276 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 276 R C 2.109 178.329 176.300 -0.134 0.000 1.131 276 R CA 1.402 57.440 56.100 -0.103 0.000 0.960 276 R CB -0.547 29.705 30.300 -0.080 0.000 0.856 276 R HN 0.485 nan 8.270 nan 0.000 0.436 277 L N 1.244 122.368 121.223 -0.164 0.000 2.017 277 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 277 L C 2.326 179.049 176.870 -0.246 0.000 1.073 277 L CA 1.784 56.525 54.840 -0.165 0.000 0.745 277 L CB -0.463 41.530 42.059 -0.109 0.000 0.894 277 L HN -0.009 nan 8.230 nan 0.000 0.432 278 R N -0.719 119.516 120.500 -0.441 0.000 2.096 278 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 278 R C 2.096 178.279 176.300 -0.196 0.000 1.127 278 R CA 1.246 57.119 56.100 -0.377 0.000 0.968 278 R CB -0.317 29.676 30.300 -0.513 0.000 0.861 278 R HN 0.520 nan 8.270 nan 0.000 0.440 279 A N -0.257 122.463 122.820 -0.167 0.000 2.014 279 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 279 A C 0.379 177.916 177.584 -0.078 0.000 1.163 279 A CA 1.240 53.216 52.037 -0.102 0.000 0.652 279 A CB 0.156 19.104 19.000 -0.087 0.000 0.808 279 A HN 0.377 nan 8.150 nan 0.000 0.449 280 D N -2.377 117.973 120.400 -0.084 0.000 2.472 280 D HA 0.328 4.968 4.640 -0.000 0.000 0.248 280 D C -2.484 173.786 176.300 -0.050 0.000 1.271 280 D CA -1.632 52.335 54.000 -0.056 0.000 0.888 280 D CB 1.055 41.827 40.800 -0.046 0.000 1.337 280 D HN -0.105 nan 8.370 nan 0.000 0.526 281 P HA -0.132 nan 4.420 nan 0.000 0.222 281 P C 1.260 178.558 177.300 -0.004 0.000 1.142 281 P CA 0.943 64.028 63.100 -0.025 0.000 0.788 281 P CB 0.174 31.863 31.700 -0.018 0.000 0.767 282 S N -1.447 114.249 115.700 -0.006 0.000 2.547 282 S HA -0.042 4.428 4.470 -0.000 0.000 0.235 282 S C 1.527 176.135 174.600 0.013 0.000 0.980 282 S CA 0.648 58.851 58.200 0.005 0.000 0.941 282 S CB -1.279 61.922 63.200 0.002 0.000 0.763 282 S HN 0.156 nan 8.310 nan 0.000 0.532 283 L N 0.522 121.749 121.223 0.006 0.000 2.591 283 L HA 0.283 4.623 4.340 -0.000 0.000 0.228 283 L C 2.733 179.630 176.870 0.045 0.000 1.133 283 L CA 0.393 55.240 54.840 0.012 0.000 0.880 283 L CB -0.608 41.442 42.059 -0.015 0.000 1.033 283 L HN 0.422 nan 8.230 nan 0.000 0.450 284 A N 1.108 123.961 122.820 0.055 0.000 1.873 284 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 284 A C 2.405 180.070 177.584 0.134 0.000 1.193 284 A CA 2.244 54.335 52.037 0.090 0.000 0.629 284 A CB -0.524 18.515 19.000 0.065 0.000 0.826 284 A HN 0.437 nan 8.150 nan 0.000 0.447 285 R N -0.283 120.285 120.500 0.114 0.000 2.091 285 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 285 R C 2.165 178.592 176.300 0.212 0.000 1.136 285 R CA 1.859 58.056 56.100 0.161 0.000 0.959 285 R CB -0.438 29.931 30.300 0.116 0.000 0.856 285 R HN 0.709 nan 8.270 nan 0.000 0.437 286 N N -0.469 118.313 118.700 0.137 0.000 2.331 286 N HA -0.098 4.642 4.740 -0.000 0.000 0.180 286 N C 1.490 177.051 175.510 0.085 0.000 1.019 286 N CA 0.849 53.962 53.050 0.106 0.000 0.881 286 N CB 0.052 38.568 38.487 0.048 0.000 0.972 286 N HN 0.354 nan 8.380 nan 0.000 0.435 287 A N 0.358 123.242 122.820 0.106 0.000 1.969 287 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 287 A C 1.837 179.573 177.584 0.252 0.000 1.169 287 A CA 0.757 52.867 52.037 0.122 0.000 0.635 287 A CB -0.726 18.375 19.000 0.169 0.000 0.810 287 A HN 0.464 nan 8.150 nan 0.000 0.445 288 F N 0.558 120.587 119.950 0.132 0.000 2.187 288 F HA 0.005 4.532 4.527 -0.000 0.000 0.295 288 F C 2.070 177.951 175.800 0.136 0.000 1.091 288 F CA 1.810 59.896 58.000 0.144 0.000 1.308 288 F CB -0.156 38.927 39.000 0.138 0.000 1.030 288 F HN 0.275 nan 8.300 nan 0.000 0.487 289 E N 0.665 120.944 120.200 0.130 0.000 2.077 289 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 289 E C 2.074 178.581 176.600 -0.156 0.000 0.989 289 E CA 1.555 57.976 56.400 0.035 0.000 0.800 289 E CB -0.299 29.527 29.700 0.210 0.000 0.746 289 E HN 0.460 nan 8.360 nan 0.000 0.452 290 E N -0.096 120.060 120.200 -0.073 0.000 2.153 290 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 290 E C 1.749 178.368 176.600 0.031 0.000 0.988 290 E CA 1.391 57.728 56.400 -0.103 0.000 0.811 290 E CB -0.451 29.123 29.700 -0.211 0.000 0.746 290 E HN 0.283 nan 8.360 nan 0.000 0.466 291 A N 0.003 122.888 122.820 0.107 0.000 1.930 291 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 291 A C 2.433 179.924 177.584 -0.156 0.000 1.175 291 A CA 1.490 53.560 52.037 0.056 0.000 0.627 291 A CB -0.592 18.387 19.000 -0.036 0.000 0.815 291 A HN 0.203 nan 8.150 nan 0.000 0.443 292 V N 0.095 119.773 119.914 -0.393 0.000 2.427 292 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 292 V C 2.625 178.463 176.094 -0.428 0.000 1.051 292 V CA 2.140 64.146 62.300 -0.491 0.000 1.048 292 V CB -0.807 30.614 31.823 -0.670 0.000 0.666 292 V HN 0.676 nan 8.190 nan 0.000 0.456 293 R N -0.588 119.625 120.500 -0.479 0.000 2.062 293 R HA -0.157 4.183 4.340 -0.000 0.000 0.229 293 R C 2.333 178.491 176.300 -0.235 0.000 1.128 293 R CA 1.834 57.667 56.100 -0.445 0.000 0.960 293 R CB -0.416 29.543 30.300 -0.569 0.000 0.855 293 R HN 0.423 nan 8.270 nan 0.000 0.432 294 F N 1.470 121.256 119.950 -0.274 0.000 2.134 294 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 294 F C 0.674 176.406 175.800 -0.113 0.000 1.097 294 F CA 1.325 59.216 58.000 -0.182 0.000 1.264 294 F CB 0.353 39.325 39.000 -0.046 0.000 1.001 294 F HN -0.021 nan 8.300 nan 0.000 0.479 295 E N 0.945 121.138 120.200 -0.012 0.000 3.568 295 E HA 0.163 4.513 4.350 -0.000 0.000 0.213 295 E C -0.615 175.932 176.600 -0.088 0.000 1.197 295 E CA -0.154 56.224 56.400 -0.036 0.000 1.126 295 E CB 0.706 30.456 29.700 0.082 0.000 1.285 295 E HN 0.006 nan 8.360 nan 0.000 0.418 296 S N 2.699 118.330 115.700 -0.115 0.000 2.589 296 S HA 0.009 4.479 4.470 -0.000 0.000 0.306 296 S C -1.470 173.043 174.600 -0.145 0.000 1.221 296 S CA -0.737 57.372 58.200 -0.151 0.000 1.159 296 S CB 0.391 63.526 63.200 -0.108 0.000 0.990 296 S HN 0.233 nan 8.310 nan 0.000 0.514 297 P HA -0.097 nan 4.420 nan 0.000 0.215 297 P C 0.077 177.259 177.300 -0.197 0.000 1.157 297 P CA 0.812 63.799 63.100 -0.188 0.000 0.874 297 P CB 0.127 31.705 31.700 -0.204 0.000 0.790 298 V N 1.647 121.458 119.914 -0.172 0.000 2.353 298 V HA 0.066 4.185 4.120 -0.000 0.000 0.264 298 V C 1.336 177.393 176.094 -0.063 0.000 1.049 298 V CA 0.118 62.358 62.300 -0.099 0.000 0.896 298 V CB 0.826 32.663 31.823 0.023 0.000 1.025 298 V HN 0.064 nan 8.190 nan 0.000 0.475 299 Q N 2.590 122.345 119.800 -0.074 0.000 2.123 299 Q HA 0.065 4.405 4.340 -0.000 0.000 0.196 299 Q C 1.033 176.909 176.000 -0.207 0.000 0.958 299 Q CA 1.289 57.039 55.803 -0.087 0.000 0.841 299 Q CB 0.511 29.223 28.738 -0.044 0.000 0.915 299 Q HN 0.916 nan 8.270 nan 0.000 0.455 300 T N -2.104 112.303 114.554 -0.244 0.000 2.762 300 T HA 0.642 4.992 4.350 -0.000 0.000 0.301 300 T C -0.881 173.648 174.700 -0.284 0.000 1.299 300 T CA -0.854 60.926 62.100 -0.532 0.000 1.005 300 T CB 1.868 70.282 68.868 -0.758 0.000 1.377 300 T HN 0.142 nan 8.240 nan 0.000 0.504 301 F N -1.879 117.864 119.950 -0.345 0.000 2.952 301 F HA 0.740 5.267 4.527 -0.000 0.000 0.329 301 F C -2.414 173.147 175.800 -0.400 0.000 1.137 301 F CA -2.252 55.603 58.000 -0.243 0.000 0.889 301 F CB -0.048 38.885 39.000 -0.111 0.000 1.335 301 F HN 0.664 nan 8.300 nan 0.000 0.449 302 F N 1.079 121.133 119.950 0.174 0.000 2.518 302 F HA 0.907 5.434 4.527 -0.000 0.000 0.338 302 F C 0.292 176.134 175.800 0.069 0.000 1.065 302 F CA -0.859 57.180 58.000 0.066 0.000 1.012 302 F CB 1.175 40.165 39.000 -0.016 0.000 1.297 302 F HN 0.345 nan 8.300 nan 0.000 0.489 303 R N -0.388 120.288 120.500 0.293 0.000 2.799 303 R HA 0.624 4.964 4.340 -0.000 0.000 0.270 303 R C -1.525 174.892 176.300 0.195 0.000 1.010 303 R CA -0.940 55.276 56.100 0.193 0.000 0.916 303 R CB 2.010 32.446 30.300 0.227 0.000 1.228 303 R HN 0.643 nan 8.270 nan 0.000 0.469 304 T N 0.719 115.348 114.554 0.125 0.000 2.848 304 T HA 0.300 4.650 4.350 -0.000 0.000 0.285 304 T C -0.258 174.459 174.700 0.028 0.000 0.995 304 T CA -0.748 61.396 62.100 0.074 0.000 0.970 304 T CB 1.732 70.600 68.868 -0.000 0.000 0.976 304 T HN 0.633 nan 8.240 nan 0.000 0.441 305 T N -0.255 114.289 114.554 -0.015 0.000 2.901 305 T HA 0.285 4.635 4.350 -0.000 0.000 0.301 305 T C 1.308 175.931 174.700 -0.128 0.000 1.012 305 T CA -0.346 61.649 62.100 -0.175 0.000 1.135 305 T CB 0.671 69.420 68.868 -0.199 0.000 0.936 305 T HN 0.725 nan 8.240 nan 0.000 0.539 306 T N -0.626 113.826 114.554 -0.169 0.000 3.054 306 T HA 0.283 4.633 4.350 -0.000 0.000 0.255 306 T C 0.493 175.133 174.700 -0.101 0.000 1.035 306 T CA -0.771 61.268 62.100 -0.102 0.000 0.941 306 T CB -0.222 68.594 68.868 -0.086 0.000 1.026 306 T HN 0.968 nan 8.240 nan 0.000 0.533 307 R N -0.752 119.664 120.500 -0.139 0.000 2.728 307 R HA 0.522 4.862 4.340 -0.000 0.000 0.274 307 R C -2.184 174.044 176.300 -0.120 0.000 1.030 307 R CA -1.040 54.994 56.100 -0.110 0.000 0.876 307 R CB 0.260 30.493 30.300 -0.113 0.000 1.259 307 R HN -0.147 nan 8.270 nan 0.000 0.468 308 D N 1.582 121.935 120.400 -0.078 0.000 2.390 308 D HA 0.323 4.963 4.640 -0.000 0.000 0.249 308 D C 0.130 176.383 176.300 -0.079 0.000 1.144 308 D CA 0.028 53.989 54.000 -0.065 0.000 0.880 308 D CB 1.702 42.482 40.800 -0.034 0.000 1.182 308 D HN 0.463 nan 8.370 nan 0.000 0.451 309 V N -0.562 119.301 119.914 -0.084 0.000 3.167 309 V HA 0.616 4.736 4.120 -0.000 0.000 0.310 309 V C -0.607 175.480 176.094 -0.011 0.000 1.207 309 V CA -0.977 61.285 62.300 -0.064 0.000 1.059 309 V CB 2.398 34.150 31.823 -0.119 0.000 1.079 309 V HN 0.327 nan 8.190 nan 0.000 0.446 310 E N 1.092 121.305 120.200 0.022 0.000 2.185 310 E HA 0.648 4.998 4.350 -0.000 0.000 0.261 310 E C -1.729 174.920 176.600 0.080 0.000 0.879 310 E CA -0.550 55.876 56.400 0.044 0.000 0.756 310 E CB 2.057 31.778 29.700 0.036 0.000 1.152 310 E HN 0.683 nan 8.360 nan 0.000 0.416 311 L N 2.669 123.947 121.223 0.092 0.000 2.404 311 L HA 0.547 4.887 4.340 -0.000 0.000 0.272 311 L C -0.203 176.714 176.870 0.079 0.000 0.980 311 L CA -0.043 54.863 54.840 0.110 0.000 0.836 311 L CB 1.361 43.513 42.059 0.155 0.000 1.238 311 L HN 0.667 nan 8.230 nan 0.000 0.408 312 A N 3.930 126.789 122.820 0.064 0.000 2.640 312 A HA 0.114 4.434 4.320 -0.000 0.000 0.300 312 A C 1.571 179.189 177.584 0.058 0.000 1.499 312 A CA 1.505 53.575 52.037 0.054 0.000 0.759 312 A CB -2.137 16.892 19.000 0.049 0.000 1.048 312 A HN 2.536 nan 8.150 nan 0.000 0.450 313 G N -3.163 105.671 108.800 0.057 0.000 2.199 313 G HA2 0.194 4.154 3.960 -0.000 0.000 0.254 313 G HA3 0.194 4.154 3.960 -0.000 0.000 0.254 313 G C 0.708 175.648 174.900 0.068 0.000 0.982 313 G CA 1.213 46.346 45.100 0.056 0.000 0.632 313 G HN 2.560 nan 8.290 nan 0.000 0.529 314 A N 0.240 123.109 122.820 0.081 0.000 2.312 314 A HA 0.858 5.178 4.320 -0.000 0.000 0.328 314 A C 0.474 178.105 177.584 0.078 0.000 1.158 314 A CA 0.688 52.787 52.037 0.103 0.000 0.821 314 A CB 0.895 19.984 19.000 0.148 0.000 1.170 314 A HN 1.548 nan 8.150 nan 0.000 0.490 315 T N 0.067 114.670 114.554 0.082 0.000 2.767 315 T HA 0.677 5.027 4.350 -0.000 0.000 0.284 315 T C -0.388 174.320 174.700 0.013 0.000 0.973 315 T CA -0.205 61.922 62.100 0.045 0.000 0.996 315 T CB 0.138 69.036 68.868 0.050 0.000 0.927 315 T HN 0.383 nan 8.240 nan 0.000 0.456 316 I N 2.708 123.237 120.570 -0.069 0.000 2.447 316 I HA 0.488 4.658 4.170 -0.000 0.000 0.287 316 I C 1.051 177.102 176.117 -0.110 0.000 1.023 316 I CA -1.113 60.056 61.300 -0.219 0.000 1.083 316 I CB 1.814 39.594 38.000 -0.367 0.000 1.245 316 I HN 0.896 nan 8.210 nan 0.000 0.434 317 G N 4.251 113.030 108.800 -0.035 0.000 2.606 317 G HA2 0.104 4.064 3.960 -0.000 0.000 0.252 317 G HA3 0.104 4.064 3.960 -0.000 0.000 0.252 317 G C -0.120 174.771 174.900 -0.016 0.000 1.206 317 G CA -0.245 44.860 45.100 0.007 0.000 0.861 317 G HN 0.637 nan 8.290 nan 0.000 0.561 318 E N -0.130 120.062 120.200 -0.013 0.000 2.404 318 E HA 0.282 4.632 4.350 -0.000 0.000 0.261 318 E C 1.172 177.779 176.600 0.012 0.000 1.074 318 E CA 0.831 57.214 56.400 -0.028 0.000 0.917 318 E CB 0.610 30.296 29.700 -0.024 0.000 0.965 318 E HN 1.308 nan 8.360 nan 0.000 0.433 319 G N 3.174 111.974 108.800 0.001 0.000 2.221 319 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.265 319 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.265 319 G C -0.014 174.918 174.900 0.054 0.000 1.041 319 G CA 0.774 45.889 45.100 0.026 0.000 0.807 319 G HN 0.496 nan 8.290 nan 0.000 0.502 320 E N 0.139 120.373 120.200 0.056 0.000 2.179 320 E HA 0.592 4.942 4.350 -0.000 0.000 0.275 320 E C 0.240 176.918 176.600 0.130 0.000 0.945 320 E CA -0.868 55.601 56.400 0.116 0.000 0.792 320 E CB 0.632 30.395 29.700 0.106 0.000 1.125 320 E HN 0.054 nan 8.360 nan 0.000 0.397 321 K N 2.199 122.697 120.400 0.163 0.000 2.249 321 K HA 0.358 4.678 4.320 -0.000 0.000 0.280 321 K C -0.929 175.880 176.600 0.348 0.000 1.033 321 K CA -0.528 55.874 56.287 0.193 0.000 0.946 321 K CB 1.323 33.851 32.500 0.048 0.000 1.005 321 K HN 0.295 nan 8.250 nan 0.000 0.469 322 V N 4.631 124.774 119.914 0.382 0.000 2.443 322 V HA 0.213 4.333 4.120 -0.000 0.000 0.293 322 V C -0.583 175.615 176.094 0.173 0.000 1.021 322 V CA -1.051 61.430 62.300 0.302 0.000 0.848 322 V CB 1.583 33.544 31.823 0.231 0.000 0.998 322 V HN 0.518 nan 8.190 nan 0.000 0.424 323 L N 6.289 127.506 121.223 -0.009 0.000 2.265 323 L HA 0.649 4.989 4.340 -0.000 0.000 0.288 323 L C -0.209 176.429 176.870 -0.387 0.000 1.058 323 L CA 0.076 54.602 54.840 -0.523 0.000 0.809 323 L CB 1.156 42.822 42.059 -0.656 0.000 1.179 323 L HN 0.608 nan 8.230 nan 0.000 0.429 324 M N 5.657 124.929 119.600 -0.547 0.000 2.264 324 M HA 0.385 4.865 4.480 -0.000 0.000 0.352 324 M C -1.018 174.917 176.300 -0.608 0.000 1.173 324 M CA 0.231 55.273 55.300 -0.430 0.000 1.075 324 M CB 1.077 33.388 32.600 -0.483 0.000 1.621 324 M HN 0.289 nan 8.290 nan 0.000 0.457 325 F N 4.252 124.035 119.950 -0.279 0.000 2.291 325 F HA 0.262 4.789 4.527 -0.000 0.000 0.368 325 F C 0.632 176.345 175.800 -0.146 0.000 1.085 325 F CA -0.528 57.350 58.000 -0.203 0.000 1.165 325 F CB 0.122 39.053 39.000 -0.114 0.000 1.429 325 F HN 0.436 nan 8.300 nan 0.000 0.503 326 L N 2.086 123.239 121.223 -0.117 0.000 2.093 326 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 326 L C 2.501 179.404 176.870 0.054 0.000 1.085 326 L CA 1.735 56.549 54.840 -0.042 0.000 0.755 326 L CB -1.125 40.870 42.059 -0.106 0.000 0.904 326 L HN 0.688 nan 8.230 nan 0.000 0.435 327 G N -1.867 106.968 108.800 0.057 0.000 2.418 327 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 327 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 327 G C 1.865 176.838 174.900 0.122 0.000 1.158 327 G CA 1.025 46.173 45.100 0.080 0.000 0.771 327 G HN 0.408 nan 8.290 nan 0.000 0.545 328 S N 0.796 116.605 115.700 0.181 0.000 2.368 328 S HA 0.055 4.525 4.470 -0.000 0.000 0.225 328 S C 2.726 177.431 174.600 0.176 0.000 1.030 328 S CA 1.604 59.901 58.200 0.162 0.000 0.999 328 S CB -0.470 62.812 63.200 0.136 0.000 0.844 328 S HN 0.541 nan 8.310 nan 0.000 0.459 329 A N 1.981 124.929 122.820 0.212 0.000 1.933 329 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 329 A C 1.904 179.792 177.584 0.507 0.000 1.175 329 A CA 1.679 53.919 52.037 0.340 0.000 0.628 329 A CB -0.762 18.404 19.000 0.276 0.000 0.814 329 A HN 0.622 nan 8.150 nan 0.000 0.444 330 N N -0.570 118.303 118.700 0.288 0.000 2.550 330 N HA -0.013 4.727 4.740 -0.000 0.000 0.186 330 N C 0.971 176.318 175.510 -0.272 0.000 1.110 330 N CA 0.619 53.700 53.050 0.051 0.000 0.912 330 N CB -0.067 38.365 38.487 -0.093 0.000 0.968 330 N HN 0.520 nan 8.380 nan 0.000 0.448 331 R N -0.161 120.337 120.500 -0.004 0.000 2.600 331 R HA 0.108 4.448 4.340 -0.000 0.000 0.392 331 R C -0.630 175.759 176.300 0.150 0.000 1.032 331 R CA -0.348 55.730 56.100 -0.037 0.000 1.139 331 R CB 0.596 30.801 30.300 -0.160 0.000 1.400 331 R HN -0.031 nan 8.270 nan 0.000 0.566 332 D N 2.265 122.864 120.400 0.333 0.000 2.339 332 D HA 0.035 4.674 4.640 -0.000 0.000 0.256 332 D C -1.273 175.159 176.300 0.220 0.000 1.214 332 D CA -2.198 51.952 54.000 0.251 0.000 0.877 332 D CB 1.401 42.361 40.800 0.267 0.000 1.111 332 D HN -0.000 nan 8.370 nan 0.000 0.478 333 P HA -0.134 nan 4.420 nan 0.000 0.223 333 P C 0.889 178.198 177.300 0.015 0.000 1.144 333 P CA 0.703 63.849 63.100 0.076 0.000 0.783 333 P CB 0.338 32.065 31.700 0.046 0.000 0.771 334 R N -0.480 120.023 120.500 0.005 0.000 2.189 334 R HA -0.036 4.304 4.340 -0.000 0.000 0.218 334 R C 2.396 178.605 176.300 -0.151 0.000 1.074 334 R CA 0.933 57.008 56.100 -0.043 0.000 0.991 334 R CB -0.246 30.052 30.300 -0.004 0.000 0.883 334 R HN 0.086 nan 8.270 nan 0.000 0.457 335 R N -0.596 119.747 120.500 -0.261 0.000 2.257 335 R HA 0.084 4.423 4.340 -0.000 0.000 0.195 335 R C -0.807 174.977 176.300 -0.860 0.000 0.921 335 R CA 0.368 56.048 56.100 -0.699 0.000 1.069 335 R CB 0.452 30.055 30.300 -1.162 0.000 1.115 335 R HN -0.010 nan 8.270 nan 0.000 0.571 336 W N 0.901 122.117 121.300 -0.140 0.000 2.632 336 W HA 0.430 5.090 4.660 -0.000 0.000 0.328 336 W C -0.935 175.539 176.519 -0.075 0.000 1.044 336 W CA -1.010 56.270 57.345 -0.108 0.000 1.225 336 W CB 1.201 30.609 29.460 -0.086 0.000 1.396 336 W HN -0.119 nan 8.180 nan 0.000 0.499 337 D N 2.027 122.512 120.400 0.142 0.000 2.308 337 D HA 0.075 4.715 4.640 -0.000 0.000 0.251 337 D C 0.090 176.435 176.300 0.074 0.000 1.127 337 D CA 0.471 54.511 54.000 0.066 0.000 0.876 337 D CB 0.616 41.431 40.800 0.024 0.000 1.176 337 D HN 0.364 nan 8.370 nan 0.000 0.446 338 D N 2.162 122.587 120.400 0.041 0.000 2.735 338 D HA -0.141 4.499 4.640 -0.000 0.000 0.235 338 D C -1.397 174.921 176.300 0.030 0.000 1.175 338 D CA -0.063 53.947 54.000 0.016 0.000 0.683 338 D CB 0.023 40.813 40.800 -0.017 0.000 1.008 338 D HN 0.300 nan 8.370 nan 0.000 0.416 339 P HA -0.163 nan 4.420 nan 0.000 0.216 339 P C 0.735 178.040 177.300 0.010 0.000 1.150 339 P CA 1.061 64.187 63.100 0.043 0.000 0.843 339 P CB 0.211 31.954 31.700 0.073 0.000 0.787 340 D N -0.748 119.658 120.400 0.009 0.000 2.324 340 D HA 0.025 4.665 4.640 -0.000 0.000 0.235 340 D C 0.921 177.348 176.300 0.213 0.000 1.095 340 D CA 0.320 54.356 54.000 0.060 0.000 0.871 340 D CB -0.266 40.508 40.800 -0.043 0.000 0.906 340 D HN 0.250 nan 8.370 nan 0.000 0.522 341 R N 0.754 121.284 120.500 0.050 0.000 2.393 341 R HA 0.148 4.488 4.340 -0.000 0.000 0.310 341 R C -1.079 174.980 176.300 -0.403 0.000 0.968 341 R CA -0.709 55.271 56.100 -0.201 0.000 0.867 341 R CB 0.732 30.912 30.300 -0.200 0.000 1.124 341 R HN -0.137 nan 8.270 nan 0.000 0.450 342 Y N 4.191 123.878 120.300 -1.021 0.000 2.539 342 Y HA 0.173 4.723 4.550 -0.000 0.000 0.352 342 Y C -1.008 174.549 175.900 -0.571 0.000 1.004 342 Y CA -0.491 56.975 58.100 -1.057 0.000 1.278 342 Y CB 0.518 38.216 38.460 -1.270 0.000 1.136 342 Y HN 0.554 nan 8.280 nan 0.000 0.528 343 D N 6.673 126.639 120.400 -0.723 0.000 2.462 343 D HA 0.108 4.748 4.640 -0.000 0.000 0.245 343 D C 0.829 176.790 176.300 -0.565 0.000 1.122 343 D CA -0.523 53.153 54.000 -0.541 0.000 0.864 343 D CB 0.433 41.050 40.800 -0.306 0.000 1.098 343 D HN 0.681 nan 8.370 nan 0.000 0.541 344 I N 1.274 121.493 120.570 -0.585 0.000 3.241 344 I HA -0.007 4.163 4.170 -0.000 0.000 0.280 344 I C 0.929 176.924 176.117 -0.203 0.000 1.320 344 I CA 0.961 62.020 61.300 -0.403 0.000 1.413 344 I CB -0.322 37.506 38.000 -0.287 0.000 1.060 344 I HN 0.286 nan 8.210 nan 0.000 0.500 345 T N -1.972 112.475 114.554 -0.177 0.000 3.054 345 T HA 0.200 4.550 4.350 -0.000 0.000 0.255 345 T C 0.948 175.604 174.700 -0.074 0.000 1.035 345 T CA -0.483 61.557 62.100 -0.100 0.000 0.941 345 T CB -0.140 68.678 68.868 -0.085 0.000 1.026 345 T HN 0.392 nan 8.240 nan 0.000 0.533 346 R N 1.975 122.416 120.500 -0.098 0.000 2.679 346 R HA 0.144 4.484 4.340 -0.000 0.000 0.268 346 R C -0.039 176.276 176.300 0.024 0.000 1.044 346 R CA -0.222 55.854 56.100 -0.040 0.000 1.105 346 R CB 0.385 30.645 30.300 -0.067 0.000 0.989 346 R HN 0.184 nan 8.270 nan 0.000 0.447 347 K N 2.918 123.363 120.400 0.074 0.000 2.228 347 K HA 0.011 4.331 4.320 -0.000 0.000 0.284 347 K C 0.648 177.380 176.600 0.220 0.000 1.088 347 K CA 0.143 56.495 56.287 0.108 0.000 0.941 347 K CB 0.490 33.037 32.500 0.079 0.000 1.158 347 K HN 0.744 nan 8.250 nan 0.000 0.438 348 T N -0.606 114.074 114.554 0.210 0.000 3.088 348 T HA -0.049 4.301 4.350 -0.000 0.000 0.259 348 T C 1.016 175.980 174.700 0.441 0.000 1.122 348 T CA -0.136 62.152 62.100 0.312 0.000 1.095 348 T CB 0.152 69.151 68.868 0.218 0.000 0.930 348 T HN 0.318 nan 8.240 nan 0.000 0.508 349 S N 0.760 116.632 115.700 0.287 0.000 2.563 349 S HA 0.387 4.857 4.470 -0.000 0.000 0.294 349 S C 1.605 176.348 174.600 0.237 0.000 1.279 349 S CA 0.780 59.108 58.200 0.213 0.000 1.069 349 S CB -0.584 62.691 63.200 0.124 0.000 0.828 349 S HN 1.167 nan 8.310 nan 0.000 0.497 350 G N 3.411 112.332 108.800 0.201 0.000 2.238 350 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 350 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 350 G C -0.064 175.128 174.900 0.486 0.000 0.996 350 G CA 0.297 45.551 45.100 0.258 0.000 0.632 350 G HN 1.396 nan 8.290 nan 0.000 0.503 351 H N -0.151 119.286 119.070 0.611 0.000 2.836 351 H HA 0.499 5.055 4.556 -0.000 0.000 0.368 351 H C 1.288 176.890 175.328 0.456 0.000 1.164 351 H CA 0.110 56.515 56.048 0.595 0.000 1.425 351 H CB 1.051 30.938 29.762 0.208 0.000 1.414 351 H HN 0.822 nan 8.280 nan 0.000 0.614 352 V N 0.582 120.827 119.914 0.551 0.000 3.099 352 V HA 0.369 4.489 4.120 -0.000 0.000 0.356 352 V C 1.683 177.973 176.094 0.327 0.000 1.364 352 V CA 0.221 62.736 62.300 0.358 0.000 1.229 352 V CB -0.164 31.814 31.823 0.260 0.000 1.227 352 V HN 0.972 nan 8.190 nan 0.000 0.493 353 G N 0.693 109.799 108.800 0.510 0.000 2.448 353 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.219 353 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.219 353 G C 0.909 175.763 174.900 -0.076 0.000 1.127 353 G CA 0.939 46.091 45.100 0.087 0.000 0.766 353 G HN 0.615 nan 8.290 nan 0.000 0.552 354 F N 0.848 120.964 119.950 0.277 0.000 2.647 354 F HA 0.431 4.958 4.527 -0.000 0.000 0.300 354 F C 1.574 177.483 175.800 0.181 0.000 1.106 354 F CA 0.195 58.317 58.000 0.203 0.000 1.313 354 F CB 0.678 39.786 39.000 0.181 0.000 1.007 354 F HN 0.392 nan 8.300 nan 0.000 0.536 355 G N 0.660 109.653 108.800 0.323 0.000 2.584 355 G HA2 0.008 3.968 3.960 -0.000 0.000 0.229 355 G HA3 0.008 3.968 3.960 -0.000 0.000 0.229 355 G C -0.514 174.506 174.900 0.199 0.000 1.320 355 G CA -0.284 44.982 45.100 0.276 0.000 0.891 355 G HN 0.532 nan 8.290 nan 0.000 0.573 356 S N -1.114 114.664 115.700 0.130 0.000 2.556 356 S HA 0.771 5.241 4.470 -0.000 0.000 0.280 356 S C 0.420 175.011 174.600 -0.015 0.000 1.141 356 S CA 1.258 59.485 58.200 0.044 0.000 0.883 356 S CB 0.850 64.027 63.200 -0.039 0.000 1.103 356 S HN 3.139 nan 8.310 nan 0.000 0.453 357 G N 1.731 110.516 108.800 -0.025 0.000 2.512 357 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.210 357 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.210 357 G C 0.811 175.703 174.900 -0.012 0.000 1.295 357 G CA 0.206 45.282 45.100 -0.039 0.000 0.934 357 G HN 1.967 nan 8.290 nan 0.000 0.554 358 V N -2.660 117.219 119.914 -0.058 0.000 2.720 358 V HA -0.040 4.080 4.120 -0.000 0.000 0.256 358 V C 1.907 177.905 176.094 -0.161 0.000 1.082 358 V CA 2.692 64.922 62.300 -0.116 0.000 1.101 358 V CB -0.699 30.982 31.823 -0.236 0.000 0.693 358 V HN 0.749 nan 8.190 nan 0.000 0.479 359 H N -0.630 118.420 119.070 -0.033 0.000 2.551 359 H HA 0.384 4.939 4.556 -0.000 0.000 0.271 359 H C 1.244 176.610 175.328 0.063 0.000 0.984 359 H CA 0.107 56.161 56.048 0.009 0.000 1.164 359 H CB 0.266 29.967 29.762 -0.101 0.000 1.437 359 H HN 0.477 nan 8.280 nan 0.000 0.550 360 M N 1.722 121.414 119.600 0.153 0.000 2.394 360 M HA -0.101 4.379 4.480 -0.000 0.000 0.394 360 M C 0.307 176.702 176.300 0.159 0.000 1.611 360 M CA 0.341 55.736 55.300 0.158 0.000 0.941 360 M CB 0.014 32.680 32.600 0.111 0.000 2.094 360 M HN 0.280 nan 8.290 nan 0.000 0.485 361 C N 6.013 125.446 119.300 0.222 0.000 1.050 361 C HA -0.113 4.347 4.460 -0.000 0.000 0.507 361 C C 1.736 176.786 174.990 0.099 0.000 1.340 361 C CA 0.602 59.748 59.018 0.214 0.000 1.842 361 C CB -1.376 26.592 27.740 0.380 0.000 3.324 361 C HN 0.889 nan 8.230 nan 0.000 0.583 362 V N 6.381 126.344 119.914 0.081 0.000 3.141 362 V HA 0.111 4.231 4.120 -0.000 0.000 0.265 362 V C 1.945 178.030 176.094 -0.016 0.000 1.126 362 V CA 2.337 64.645 62.300 0.013 0.000 1.141 362 V CB -0.245 31.573 31.823 -0.007 0.000 0.743 362 V HN 1.081 nan 8.190 nan 0.000 0.492 363 G N -0.573 108.244 108.800 0.029 0.000 3.337 363 G HA2 0.043 4.003 3.960 -0.000 0.000 0.246 363 G HA3 0.043 4.003 3.960 -0.000 0.000 0.246 363 G C 1.090 175.989 174.900 -0.002 0.000 1.131 363 G CA 0.431 45.541 45.100 0.017 0.000 0.773 363 G HN 0.655 nan 8.290 nan 0.000 0.544 364 Q N 0.055 119.793 119.800 -0.104 0.000 2.181 364 Q HA -0.053 4.287 4.340 -0.000 0.000 0.205 364 Q C 1.986 177.843 176.000 -0.238 0.000 0.980 364 Q CA 0.894 56.469 55.803 -0.381 0.000 0.862 364 Q CB -0.488 27.774 28.738 -0.794 0.000 0.905 364 Q HN 0.457 nan 8.270 nan 0.000 0.429 365 L N 0.617 121.758 121.223 -0.137 0.000 2.141 365 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 365 L C 2.413 179.267 176.870 -0.027 0.000 1.094 365 L CA 0.524 55.316 54.840 -0.079 0.000 0.763 365 L CB -0.397 41.620 42.059 -0.070 0.000 0.908 365 L HN 0.107 nan 8.230 nan 0.000 0.437 366 V N 0.275 120.194 119.914 0.009 0.000 2.323 366 V HA -0.218 3.902 4.120 -0.000 0.000 0.244 366 V C 2.817 178.984 176.094 0.121 0.000 1.041 366 V CA 1.736 64.096 62.300 0.100 0.000 1.025 366 V CB -0.828 31.102 31.823 0.179 0.000 0.656 366 V HN 0.443 nan 8.190 nan 0.000 0.451 367 A N 0.128 123.014 122.820 0.110 0.000 1.908 367 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 367 A C 2.373 180.012 177.584 0.092 0.000 1.181 367 A CA 1.964 54.114 52.037 0.188 0.000 0.627 367 A CB -0.506 18.745 19.000 0.418 0.000 0.818 367 A HN 0.510 nan 8.150 nan 0.000 0.445 368 R N -0.867 119.696 120.500 0.106 0.000 2.115 368 R HA 0.042 4.382 4.340 -0.000 0.000 0.230 368 R C 2.183 178.420 176.300 -0.104 0.000 1.111 368 R CA 1.074 57.190 56.100 0.027 0.000 0.976 368 R CB -0.436 29.932 30.300 0.112 0.000 0.870 368 R HN 0.577 nan 8.270 nan 0.000 0.445 369 L N 1.241 122.450 121.223 -0.023 0.000 1.994 369 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 369 L C 1.918 178.836 176.870 0.079 0.000 1.071 369 L CA 1.747 56.592 54.840 0.008 0.000 0.745 369 L CB -0.201 41.833 42.059 -0.042 0.000 0.892 369 L HN 0.264 nan 8.230 nan 0.000 0.431 370 E N -0.469 119.839 120.200 0.180 0.000 2.058 370 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 370 E C 1.965 178.509 176.600 -0.093 0.000 0.997 370 E CA 1.180 57.745 56.400 0.274 0.000 0.801 370 E CB -0.397 29.502 29.700 0.331 0.000 0.746 370 E HN 0.687 nan 8.360 nan 0.000 0.450 371 G N 1.256 109.740 108.800 -0.528 0.000 2.421 371 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.216 371 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.216 371 G C 1.414 176.039 174.900 -0.459 0.000 1.171 371 G CA 0.877 45.391 45.100 -0.976 0.000 0.775 371 G HN 0.265 nan 8.290 nan 0.000 0.543 372 E N -0.090 119.912 120.200 -0.329 0.000 2.058 372 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 372 E C 2.597 179.167 176.600 -0.051 0.000 0.997 372 E CA 1.325 57.675 56.400 -0.083 0.000 0.801 372 E CB -0.229 29.456 29.700 -0.025 0.000 0.746 372 E HN 0.215 nan 8.360 nan 0.000 0.450 373 V N 0.346 120.228 119.914 -0.053 0.000 2.407 373 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 373 V C 2.327 178.343 176.094 -0.131 0.000 1.055 373 V CA 1.329 63.608 62.300 -0.035 0.000 1.049 373 V CB 0.069 31.934 31.823 0.071 0.000 0.662 373 V HN 0.218 nan 8.190 nan 0.000 0.455 374 V N -0.427 119.346 119.914 -0.235 0.000 2.379 374 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 374 V C 2.180 178.214 176.094 -0.099 0.000 1.044 374 V CA 1.740 63.868 62.300 -0.286 0.000 1.036 374 V CB -0.385 31.232 31.823 -0.345 0.000 0.664 374 V HN 0.444 nan 8.190 nan 0.000 0.453 375 L N 0.026 121.234 121.223 -0.026 0.000 2.275 375 L HA -0.072 4.268 4.340 -0.000 0.000 0.215 375 L C 2.624 179.540 176.870 0.076 0.000 1.119 375 L CA 1.200 56.084 54.840 0.073 0.000 0.790 375 L CB -0.738 41.401 42.059 0.132 0.000 0.919 375 L HN 0.367 nan 8.230 nan 0.000 0.443 376 A N 0.221 123.059 122.820 0.030 0.000 1.929 376 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 376 A C 2.550 180.153 177.584 0.030 0.000 1.176 376 A CA 1.392 53.447 52.037 0.030 0.000 0.628 376 A CB -0.437 18.573 19.000 0.017 0.000 0.816 376 A HN 0.353 nan 8.150 nan 0.000 0.444 377 A N -0.674 122.152 122.820 0.009 0.000 1.930 377 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 377 A C 2.006 179.618 177.584 0.048 0.000 1.175 377 A CA 1.538 53.581 52.037 0.011 0.000 0.627 377 A CB -0.461 18.521 19.000 -0.030 0.000 0.815 377 A HN 0.374 nan 8.150 nan 0.000 0.443 378 L N -0.316 120.952 121.223 0.075 0.000 2.027 378 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 378 L C 2.970 180.013 176.870 0.288 0.000 1.074 378 L CA 1.933 56.868 54.840 0.159 0.000 0.745 378 L CB -1.276 40.883 42.059 0.166 0.000 0.898 378 L HN 0.396 nan 8.230 nan 0.000 0.433 379 A N -0.847 122.108 122.820 0.225 0.000 1.940 379 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 379 A C 2.444 180.044 177.584 0.027 0.000 1.176 379 A CA 1.746 53.825 52.037 0.071 0.000 0.631 379 A CB -0.399 18.599 19.000 -0.004 0.000 0.814 379 A HN 0.427 nan 8.150 nan 0.000 0.446 380 R N -0.941 119.588 120.500 0.048 0.000 2.112 380 R HA 0.065 4.405 4.340 -0.000 0.000 0.216 380 R C 1.726 178.053 176.300 0.045 0.000 1.080 380 R CA 1.263 57.380 56.100 0.029 0.000 0.996 380 R CB -0.093 30.220 30.300 0.022 0.000 0.902 380 R HN 0.436 nan 8.270 nan 0.000 0.449 381 K N -0.035 120.404 120.400 0.065 0.000 2.352 381 K HA 0.166 4.486 4.320 -0.000 0.000 0.194 381 K C -0.069 176.581 176.600 0.082 0.000 1.038 381 K CA 0.201 56.524 56.287 0.060 0.000 1.023 381 K CB 1.110 33.636 32.500 0.043 0.000 0.840 381 K HN -0.114 nan 8.250 nan 0.000 0.519 382 V N 0.989 120.990 119.914 0.145 0.000 2.417 382 V HA 0.273 4.393 4.120 -0.000 0.000 0.291 382 V C 0.509 176.774 176.094 0.286 0.000 1.024 382 V CA -0.425 61.983 62.300 0.180 0.000 0.861 382 V CB 1.455 33.364 31.823 0.144 0.000 0.985 382 V HN 0.151 nan 8.190 nan 0.000 0.436 383 A N 3.747 126.686 122.820 0.198 0.000 2.030 383 A HA 0.750 5.070 4.320 -0.000 0.000 0.215 383 A C 0.948 178.711 177.584 0.299 0.000 1.164 383 A CA 0.943 53.098 52.037 0.197 0.000 0.697 383 A CB 0.144 19.203 19.000 0.099 0.000 0.827 383 A HN 1.304 nan 8.150 nan 0.000 0.457 384 A N -0.868 122.097 122.820 0.241 0.000 2.589 384 A HA 0.669 4.989 4.320 -0.000 0.000 0.296 384 A C -1.266 176.283 177.584 -0.059 0.000 1.062 384 A CA -0.396 51.740 52.037 0.164 0.000 0.686 384 A CB 0.756 19.816 19.000 0.100 0.000 1.282 384 A HN 0.232 nan 8.150 nan 0.000 0.404 385 I N 1.039 121.495 120.570 -0.191 0.000 2.582 385 I HA 0.613 4.783 4.170 -0.000 0.000 0.292 385 I C -0.917 175.109 176.117 -0.152 0.000 1.066 385 I CA -0.522 60.618 61.300 -0.267 0.000 1.053 385 I CB 2.458 40.145 38.000 -0.521 0.000 1.241 385 I HN 0.717 nan 8.210 nan 0.000 0.421 386 E N 5.061 125.194 120.200 -0.112 0.000 2.331 386 E HA 0.490 4.840 4.350 -0.000 0.000 0.275 386 E C -1.288 175.271 176.600 -0.068 0.000 0.895 386 E CA -0.697 55.656 56.400 -0.079 0.000 0.753 386 E CB 2.464 32.135 29.700 -0.049 0.000 1.216 386 E HN 0.283 nan 8.360 nan 0.000 0.434 387 I N 1.946 122.481 120.570 -0.060 0.000 2.533 387 I HA 0.221 4.391 4.170 -0.000 0.000 0.284 387 I C 0.890 176.986 176.117 -0.035 0.000 1.109 387 I CA 0.582 61.858 61.300 -0.039 0.000 1.412 387 I CB 0.967 38.955 38.000 -0.020 0.000 1.396 387 I HN 0.778 nan 8.210 nan 0.000 0.543 388 A N 4.682 127.482 122.820 -0.034 0.000 2.430 388 A HA 0.741 5.061 4.320 -0.000 0.000 0.243 388 A C 0.761 178.330 177.584 -0.026 0.000 1.254 388 A CA 0.515 52.535 52.037 -0.029 0.000 0.914 388 A CB -0.316 18.666 19.000 -0.030 0.000 0.998 388 A HN 0.810 nan 8.150 nan 0.000 0.515 389 G N -0.769 108.014 108.800 -0.028 0.000 2.488 389 G HA2 0.500 4.460 3.960 -0.000 0.000 0.301 389 G HA3 0.500 4.460 3.960 -0.000 0.000 0.301 389 G C -3.485 171.395 174.900 -0.032 0.000 1.339 389 G CA -0.812 44.272 45.100 -0.028 0.000 0.803 389 G HN -0.054 nan 8.290 nan 0.000 0.482 390 P HA 0.348 nan 4.420 nan 0.000 0.268 390 P C -0.176 177.087 177.300 -0.062 0.000 1.205 390 P CA -0.340 62.738 63.100 -0.038 0.000 0.771 390 P CB 0.961 32.643 31.700 -0.031 0.000 0.858 391 L N 2.610 123.787 121.223 -0.076 0.000 2.334 391 L HA 0.540 4.880 4.340 -0.000 0.000 0.277 391 L C -0.145 176.641 176.870 -0.140 0.000 1.075 391 L CA -0.670 54.090 54.840 -0.132 0.000 0.804 391 L CB 1.038 42.997 42.059 -0.166 0.000 1.174 391 L HN 0.126 nan 8.230 nan 0.000 0.438 392 K N 3.976 124.269 120.400 -0.178 0.000 2.413 392 K HA 0.402 4.722 4.320 -0.000 0.000 0.257 392 K C -0.953 175.474 176.600 -0.288 0.000 0.946 392 K CA -0.470 55.702 56.287 -0.192 0.000 0.823 392 K CB 1.400 33.810 32.500 -0.151 0.000 1.109 392 K HN 0.600 nan 8.250 nan 0.000 0.427 393 R N 2.209 122.478 120.500 -0.386 0.000 2.410 393 R HA 0.316 4.656 4.340 -0.000 0.000 0.288 393 R C -0.517 175.333 176.300 -0.750 0.000 1.051 393 R CA -0.543 55.235 56.100 -0.536 0.000 1.021 393 R CB 0.763 30.741 30.300 -0.536 0.000 1.032 393 R HN 0.518 nan 8.270 nan 0.000 0.481 394 R N 4.677 124.848 120.500 -0.548 0.000 2.207 394 R HA 0.171 4.510 4.340 -0.000 0.000 0.334 394 R C -1.159 174.886 176.300 -0.425 0.000 1.013 394 R CA -0.272 55.566 56.100 -0.437 0.000 0.858 394 R CB 0.427 30.581 30.300 -0.244 0.000 1.094 394 R HN 0.477 nan 8.270 nan 0.000 0.457 395 F N 3.663 123.560 119.950 -0.089 0.000 2.427 395 F HA 0.282 4.809 4.527 -0.000 0.000 0.352 395 F C 0.893 176.587 175.800 -0.177 0.000 1.100 395 F CA -0.309 57.613 58.000 -0.130 0.000 1.191 395 F CB 0.993 40.018 39.000 0.042 0.000 1.128 395 F HN 0.492 nan 8.300 nan 0.000 0.533 396 N N 2.176 120.763 118.700 -0.188 0.000 2.308 396 N HA 0.136 4.876 4.740 -0.000 0.000 0.283 396 N C -0.002 175.310 175.510 -0.329 0.000 1.105 396 N CA -0.452 52.503 53.050 -0.158 0.000 0.840 396 N CB 1.393 39.806 38.487 -0.123 0.000 1.633 396 N HN 0.471 nan 8.380 nan 0.000 0.476 397 N N 0.385 119.089 118.700 0.006 0.000 2.205 397 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 397 N C 1.110 176.783 175.510 0.271 0.000 1.015 397 N CA 2.139 55.353 53.050 0.273 0.000 0.862 397 N CB 0.118 38.807 38.487 0.336 0.000 0.986 397 N HN 0.794 nan 8.380 nan 0.000 0.429 398 T N -3.847 110.795 114.554 0.146 0.000 3.041 398 T HA 0.346 4.696 4.350 -0.000 0.000 0.276 398 T C 0.558 175.266 174.700 0.013 0.000 0.948 398 T CA -0.280 61.915 62.100 0.158 0.000 0.885 398 T CB 0.200 69.300 68.868 0.386 0.000 1.175 398 T HN -0.131 nan 8.240 nan 0.000 0.529 399 L N 1.085 122.251 121.223 -0.094 0.000 2.322 399 L HA 0.696 5.036 4.340 -0.000 0.000 0.269 399 L C -0.080 176.657 176.870 -0.222 0.000 1.012 399 L CA -1.422 53.312 54.840 -0.175 0.000 0.815 399 L CB 1.925 43.849 42.059 -0.224 0.000 1.295 399 L HN 0.039 nan 8.230 nan 0.000 0.438 400 R N 0.363 120.748 120.500 -0.192 0.000 2.480 400 R HA 0.752 5.092 4.340 -0.000 0.000 0.306 400 R C -0.785 175.412 176.300 -0.171 0.000 0.958 400 R CA -0.248 55.742 56.100 -0.184 0.000 0.861 400 R CB 1.893 32.106 30.300 -0.145 0.000 1.171 400 R HN 0.849 nan 8.270 nan 0.000 0.445 401 G N 2.904 111.590 108.800 -0.190 0.000 2.548 401 G HA2 0.391 4.351 3.960 -0.000 0.000 0.301 401 G HA3 0.391 4.351 3.960 -0.000 0.000 0.301 401 G C -1.856 172.904 174.900 -0.233 0.000 1.349 401 G CA -0.803 44.189 45.100 -0.181 0.000 0.792 401 G HN 0.429 nan 8.290 nan 0.000 0.481 402 L N -0.180 120.909 121.223 -0.222 0.000 2.342 402 L HA 0.545 4.885 4.340 -0.000 0.000 0.271 402 L C 1.015 177.757 176.870 -0.213 0.000 1.008 402 L CA -0.695 53.987 54.840 -0.264 0.000 0.818 402 L CB 2.283 44.164 42.059 -0.295 0.000 1.296 402 L HN 0.756 nan 8.230 nan 0.000 0.427 403 E N 0.804 120.867 120.200 -0.227 0.000 2.216 403 E HA 0.047 4.397 4.350 -0.000 0.000 0.192 403 E C 0.072 176.590 176.600 -0.136 0.000 0.973 403 E CA 0.340 56.638 56.400 -0.171 0.000 0.851 403 E CB 0.617 30.206 29.700 -0.185 0.000 0.804 403 E HN 0.442 nan 8.360 nan 0.000 0.477 404 S N -0.854 114.753 115.700 -0.155 0.000 2.535 404 S HA 0.578 5.047 4.470 -0.000 0.000 0.272 404 S C -2.224 172.289 174.600 -0.146 0.000 1.149 404 S CA -0.820 57.305 58.200 -0.124 0.000 0.888 404 S CB 0.872 64.013 63.200 -0.099 0.000 1.110 404 S HN 0.100 nan 8.310 nan 0.000 0.463 405 L N 5.496 126.648 121.223 -0.118 0.000 2.549 405 L HA 0.534 4.874 4.340 -0.000 0.000 0.260 405 L C -2.642 174.182 176.870 -0.076 0.000 1.109 405 L CA -1.142 53.626 54.840 -0.119 0.000 0.900 405 L CB 2.042 44.013 42.059 -0.147 0.000 1.119 405 L HN 0.442 nan 8.230 nan 0.000 0.471 406 P HA 0.314 nan 4.420 nan 0.000 0.271 406 P C -0.716 176.557 177.300 -0.046 0.000 1.220 406 P CA 0.136 63.207 63.100 -0.049 0.000 0.768 406 P CB 0.949 32.623 31.700 -0.042 0.000 0.848 407 I N -0.641 119.902 120.570 -0.046 0.000 3.074 407 I HA 0.574 4.744 4.170 -0.000 0.000 0.310 407 I C -1.108 174.979 176.117 -0.050 0.000 1.153 407 I CA -1.491 59.778 61.300 -0.052 0.000 0.993 407 I CB 2.724 40.685 38.000 -0.065 0.000 1.237 407 I HN 0.204 nan 8.210 nan 0.000 0.443 408 Q N 3.631 123.398 119.800 -0.055 0.000 2.325 408 Q HA 0.587 4.927 4.340 -0.000 0.000 0.270 408 Q C -2.051 173.914 176.000 -0.059 0.000 1.020 408 Q CA -0.722 55.053 55.803 -0.046 0.000 0.785 408 Q CB 1.979 30.696 28.738 -0.034 0.000 1.259 408 Q HN 0.772 nan 8.270 nan 0.000 0.452 409 L N 3.427 124.619 121.223 -0.052 0.000 2.275 409 L HA 0.442 4.781 4.340 -0.000 0.000 0.288 409 L C -0.215 176.641 176.870 -0.025 0.000 1.046 409 L CA -0.526 54.281 54.840 -0.056 0.000 0.805 409 L CB 1.702 43.730 42.059 -0.051 0.000 1.193 409 L HN 0.631 nan 8.230 nan 0.000 0.426 410 T N 4.230 118.778 114.554 -0.011 0.000 2.744 410 T HA 0.321 4.671 4.350 -0.000 0.000 0.291 410 T C -2.379 172.340 174.700 0.032 0.000 0.957 410 T CA -1.294 60.814 62.100 0.014 0.000 1.002 410 T CB 1.346 70.229 68.868 0.026 0.000 0.919 410 T HN 0.278 nan 8.240 nan 0.000 0.468 411 P HA 0.269 nan 4.420 nan 0.000 0.269 411 P C -0.489 176.835 177.300 0.040 0.000 1.209 411 P CA -0.263 62.855 63.100 0.031 0.000 0.776 411 P CB 0.440 32.152 31.700 0.020 0.000 0.876 412 A N 0.000 122.847 122.820 0.044 0.000 2.254 412 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 412 A CA 0.000 52.062 52.037 0.042 0.000 0.836 412 A CB 0.000 19.025 19.000 0.042 0.000 0.831 412 A HN 0.000 nan 8.150 nan 0.000 0.486