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 3euk_1_C DATA FIRST_RESID 33 DATA SEQUENCE IARGKFRSLT LINWNGFFAR TFDFDELVTT LSGGNGAGKS TTMAGFVTAL DATA SEQUENCE IPDLTLLNFR NTTEAGSTSS XXDKGLYGKL KAGVCYAVLE TVNSRAQRII DATA SEQUENCE TGVRLQQIAG RDKKVDIRPF SLQNVPMTDS VISLFTEQVA NKARVLSLND DATA SEQUENCE LKEKFEETAV TFKPYHSITD YHSFMFDLGI LPKRLRSSSD RNKFYKLIEA DATA SEQUENCE SLYGGISSVI TKSLRDYLLP ENSGVRQAFQ DMEAALREXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XSAESVANIL RKTIQREQNR DATA SEQUENCE ILQLNQGLQN IAFGQVKGVR LVVNIRDTHS ILLNALSDQH EQHKDXXXXX DATA SEQUENCE XXSFSEALAM LYKRINPHIX XXXXXXQTIG EELLDYRNYL DLEVETLRGA DATA SEQUENCE YGWMRAESSA LSTGEAIGTG MSILLMVVQS WEEESRRMRA KDILPCRLLF DATA SEQUENCE LDQAARLDAM SINTLFELCE RLDMQLLIAA PENISPERGT TYKLVRKILA DATA SEQUENCE NQEYVHVVGL KGFG 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 33 I HA 0.000 nan 4.170 nan 0.000 0.288 33 I C 0.000 176.103 176.117 -0.023 0.000 1.063 33 I CA 0.000 61.288 61.300 -0.019 0.000 1.566 33 I CB 0.000 37.989 38.000 -0.018 0.000 1.214 34 A N 5.444 128.247 122.820 -0.028 0.000 2.462 34 A HA 0.763 5.082 4.320 -0.000 0.000 0.243 34 A C 0.234 177.792 177.584 -0.043 0.000 1.076 34 A CA -0.084 51.933 52.037 -0.033 0.000 0.773 34 A CB 0.485 19.463 19.000 -0.036 0.000 1.010 34 A HN 0.729 nan 8.150 nan 0.000 0.493 35 R N 2.163 122.637 120.500 -0.044 0.000 2.502 35 R HA 0.476 4.816 4.340 -0.000 0.000 0.300 35 R C 0.348 176.604 176.300 -0.074 0.000 0.984 35 R CA -0.110 55.956 56.100 -0.056 0.000 0.882 35 R CB 1.230 31.506 30.300 -0.040 0.000 1.180 35 R HN 0.995 nan 8.270 nan 0.000 0.444 36 G N 3.183 111.917 108.800 -0.110 0.000 2.559 36 G HA2 0.126 4.086 3.960 -0.000 0.000 0.235 36 G HA3 0.126 4.086 3.960 -0.000 0.000 0.235 36 G C -0.727 174.062 174.900 -0.185 0.000 1.266 36 G CA -0.073 44.933 45.100 -0.157 0.000 0.847 36 G HN 0.441 nan 8.290 nan 0.000 0.583 37 K N 0.407 120.686 120.400 -0.203 0.000 2.527 37 K HA 0.295 4.615 4.320 -0.000 0.000 0.260 37 K C -1.091 175.394 176.600 -0.192 0.000 0.937 37 K CA -0.690 55.496 56.287 -0.168 0.000 0.826 37 K CB 1.895 34.381 32.500 -0.024 0.000 1.359 37 K HN 0.361 nan 8.250 nan 0.000 0.434 38 F N 1.428 121.381 119.950 0.005 0.000 2.418 38 F HA 0.305 4.831 4.527 -0.000 0.000 0.341 38 F C 1.869 177.762 175.800 0.154 0.000 1.120 38 F CA -0.218 57.799 58.000 0.028 0.000 1.232 38 F CB 0.690 39.605 39.000 -0.140 0.000 1.175 38 F HN 0.257 nan 8.300 nan 0.000 0.569 39 R N 0.276 121.013 120.500 0.394 0.000 2.342 39 R HA 0.171 4.510 4.340 -0.000 0.000 0.204 39 R C -0.543 175.950 176.300 0.321 0.000 0.882 39 R CA 0.439 56.733 56.100 0.322 0.000 1.041 39 R CB 0.437 30.841 30.300 0.173 0.000 1.188 39 R HN 0.653 nan 8.270 nan 0.000 0.598 40 S N 0.106 116.028 115.700 0.371 0.000 2.584 40 S HA 0.280 4.749 4.470 -0.000 0.000 0.280 40 S C -1.122 173.620 174.600 0.235 0.000 1.162 40 S CA -0.942 57.359 58.200 0.170 0.000 0.951 40 S CB 1.368 64.628 63.200 0.099 0.000 1.108 40 S HN 0.060 nan 8.310 nan 0.000 0.464 41 L N 3.083 124.409 121.223 0.171 0.000 2.417 41 L HA 0.560 4.900 4.340 -0.000 0.000 0.258 41 L C -0.381 176.465 176.870 -0.040 0.000 1.088 41 L CA 0.296 55.181 54.840 0.075 0.000 0.975 41 L CB 0.366 42.443 42.059 0.030 0.000 1.341 41 L HN 0.805 nan 8.230 nan 0.000 0.431 42 T N 5.275 119.847 114.554 0.030 0.000 2.749 42 T HA 0.444 4.794 4.350 -0.000 0.000 0.295 42 T C 0.165 174.838 174.700 -0.046 0.000 0.936 42 T CA -0.112 62.006 62.100 0.031 0.000 1.060 42 T CB 0.359 69.297 68.868 0.116 0.000 0.904 42 T HN 0.371 nan 8.240 nan 0.000 0.500 43 L N 4.169 125.287 121.223 -0.174 0.000 2.325 43 L HA 0.619 4.958 4.340 -0.000 0.000 0.279 43 L C -0.032 176.883 176.870 0.074 0.000 1.054 43 L CA -0.859 53.803 54.840 -0.297 0.000 0.804 43 L CB 1.043 42.574 42.059 -0.881 0.000 1.200 43 L HN 0.472 nan 8.230 nan 0.000 0.436 44 I N 2.432 123.198 120.570 0.326 0.000 2.498 44 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 44 I C 0.058 176.494 176.117 0.532 0.000 1.032 44 I CA -0.621 60.937 61.300 0.430 0.000 1.073 44 I CB 1.773 40.016 38.000 0.404 0.000 1.251 44 I HN 0.707 nan 8.210 nan 0.000 0.426 45 N N 3.791 122.799 118.700 0.513 0.000 2.714 45 N HA -0.227 4.513 4.740 -0.000 0.000 0.252 45 N C -1.202 174.460 175.510 0.254 0.000 1.014 45 N CA 0.703 53.967 53.050 0.356 0.000 0.735 45 N CB -0.451 38.170 38.487 0.223 0.000 0.924 45 N HN 0.450 nan 8.380 nan 0.000 0.540 46 W N 0.122 121.498 121.300 0.126 0.000 2.365 46 W HA 0.420 5.080 4.660 -0.000 0.000 0.410 46 W C 1.112 177.687 176.519 0.092 0.000 1.634 46 W CA -0.535 56.859 57.345 0.081 0.000 1.761 46 W CB 0.010 29.537 29.460 0.112 0.000 1.485 46 W HN 0.158 nan 8.180 nan 0.000 0.706 47 N N 0.677 119.585 118.700 0.347 0.000 2.416 47 N HA 0.241 4.981 4.740 -0.000 0.000 0.271 47 N C 0.793 176.417 175.510 0.190 0.000 1.245 47 N CA 1.604 54.768 53.050 0.190 0.000 0.940 47 N CB 0.126 38.697 38.487 0.140 0.000 1.175 47 N HN 0.665 nan 8.380 nan 0.000 0.483 48 G N 2.418 111.251 108.800 0.055 0.000 2.184 48 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.264 48 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.264 48 G C -0.196 174.537 174.900 -0.278 0.000 0.975 48 G CA 0.261 45.283 45.100 -0.129 0.000 0.642 48 G HN 0.503 nan 8.290 nan 0.000 0.536 49 F N 0.072 120.140 119.950 0.196 0.000 2.496 49 F HA 0.639 5.166 4.527 -0.000 0.000 0.341 49 F C 0.769 176.770 175.800 0.334 0.000 1.134 49 F CA -1.214 56.924 58.000 0.231 0.000 0.968 49 F CB 1.118 40.215 39.000 0.162 0.000 1.205 49 F HN 0.000 nan 8.300 nan 0.000 0.436 50 F N 1.677 121.821 119.950 0.322 0.000 2.140 50 F HA 0.491 5.018 4.527 -0.000 0.000 0.278 50 F C 0.898 176.848 175.800 0.249 0.000 1.121 50 F CA 0.285 58.436 58.000 0.251 0.000 1.139 50 F CB 0.359 39.483 39.000 0.207 0.000 1.062 50 F HN 0.393 nan 8.300 nan 0.000 0.501 51 A N 1.123 124.141 122.820 0.330 0.000 2.893 51 A HA 0.498 4.818 4.320 -0.000 0.000 0.333 51 A C -1.213 176.469 177.584 0.163 0.000 1.152 51 A CA -0.346 51.780 52.037 0.147 0.000 0.782 51 A CB 0.381 19.341 19.000 -0.066 0.000 1.108 51 A HN 0.323 nan 8.150 nan 0.000 0.469 52 R N 1.020 121.654 120.500 0.223 0.000 2.409 52 R HA 0.579 4.919 4.340 -0.000 0.000 0.313 52 R C -0.550 175.844 176.300 0.157 0.000 0.953 52 R CA 0.023 56.234 56.100 0.186 0.000 0.849 52 R CB 0.564 31.106 30.300 0.402 0.000 1.171 52 R HN 0.375 nan 8.270 nan 0.000 0.458 53 T N 3.804 118.380 114.554 0.036 0.000 2.882 53 T HA 0.484 4.834 4.350 -0.000 0.000 0.287 53 T C -0.952 173.732 174.700 -0.026 0.000 1.014 53 T CA 0.295 62.423 62.100 0.047 0.000 1.049 53 T CB 0.202 69.067 68.868 -0.004 0.000 1.001 53 T HN 0.360 nan 8.240 nan 0.000 0.525 54 F N 2.264 122.072 119.950 -0.237 0.000 2.646 54 F HA 0.280 4.807 4.527 -0.000 0.000 0.364 54 F C 0.029 175.558 175.800 -0.452 0.000 1.137 54 F CA -1.209 56.633 58.000 -0.264 0.000 1.085 54 F CB 1.162 39.927 39.000 -0.392 0.000 1.331 54 F HN 0.440 nan 8.300 nan 0.000 0.472 55 D N 4.006 124.387 120.400 -0.031 0.000 2.343 55 D HA 0.120 4.760 4.640 -0.000 0.000 0.255 55 D C -0.370 175.719 176.300 -0.351 0.000 1.187 55 D CA 0.333 54.242 54.000 -0.151 0.000 0.875 55 D CB 0.951 41.761 40.800 0.015 0.000 1.136 55 D HN 0.085 nan 8.370 nan 0.000 0.469 56 F N 1.524 121.504 119.950 0.051 0.000 2.394 56 F HA 0.104 4.631 4.527 -0.000 0.000 0.340 56 F C 1.268 177.065 175.800 -0.006 0.000 1.105 56 F CA -0.702 57.304 58.000 0.009 0.000 1.124 56 F CB 0.804 39.833 39.000 0.048 0.000 1.145 56 F HN 0.166 nan 8.300 nan 0.000 0.505 57 D N 1.943 122.429 120.400 0.144 0.000 2.354 57 D HA -0.012 4.627 4.640 -0.000 0.000 0.247 57 D C 1.076 177.429 176.300 0.089 0.000 1.138 57 D CA -0.061 53.983 54.000 0.073 0.000 0.958 57 D CB 1.101 41.915 40.800 0.024 0.000 1.144 57 D HN 0.811 nan 8.370 nan 0.000 0.458 58 E N 1.080 121.316 120.200 0.060 0.000 2.273 58 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 58 E C 1.008 177.623 176.600 0.024 0.000 1.002 58 E CA 1.309 57.737 56.400 0.047 0.000 0.828 58 E CB 0.262 29.984 29.700 0.036 0.000 0.747 58 E HN 0.492 nan 8.360 nan 0.000 0.491 59 L N -1.426 119.799 121.223 0.004 0.000 3.534 59 L HA 0.271 4.611 4.340 -0.000 0.000 0.174 59 L C -0.093 176.707 176.870 -0.117 0.000 1.215 59 L CA -0.342 54.461 54.840 -0.062 0.000 0.857 59 L CB 0.567 42.579 42.059 -0.079 0.000 1.502 59 L HN -0.168 nan 8.230 nan 0.000 0.614 60 V N 0.185 120.003 119.914 -0.160 0.000 2.547 60 V HA 0.401 4.521 4.120 -0.000 0.000 0.299 60 V C -0.590 175.492 176.094 -0.019 0.000 1.040 60 V CA -0.299 61.894 62.300 -0.178 0.000 0.913 60 V CB 1.520 33.090 31.823 -0.421 0.000 0.992 60 V HN 0.311 nan 8.190 nan 0.000 0.449 61 T N 2.678 117.254 114.554 0.036 0.000 2.934 61 T HA 0.312 4.662 4.350 -0.000 0.000 0.328 61 T C -0.117 174.639 174.700 0.094 0.000 1.068 61 T CA -0.342 61.798 62.100 0.067 0.000 1.018 61 T CB 0.771 69.781 68.868 0.237 0.000 1.009 61 T HN 0.710 nan 8.240 nan 0.000 0.471 62 T N 4.666 119.254 114.554 0.056 0.000 2.744 62 T HA 0.421 4.771 4.350 -0.000 0.000 0.291 62 T C 0.340 175.104 174.700 0.106 0.000 0.957 62 T CA -0.655 61.501 62.100 0.094 0.000 1.002 62 T CB 0.459 69.382 68.868 0.092 0.000 0.919 62 T HN 0.389 nan 8.240 nan 0.000 0.468 63 L N 3.613 124.928 121.223 0.154 0.000 2.282 63 L HA 0.327 4.667 4.340 -0.000 0.000 0.287 63 L C 0.462 177.417 176.870 0.142 0.000 1.075 63 L CA -0.566 54.391 54.840 0.196 0.000 0.839 63 L CB 0.154 42.349 42.059 0.226 0.000 1.219 63 L HN 0.621 nan 8.230 nan 0.000 0.434 64 S N 1.846 117.620 115.700 0.123 0.000 2.586 64 S HA 0.866 5.336 4.470 -0.000 0.000 0.274 64 S C 0.495 175.148 174.600 0.088 0.000 1.281 64 S CA -0.361 57.890 58.200 0.085 0.000 1.035 64 S CB 2.013 65.246 63.200 0.055 0.000 0.962 64 S HN 0.874 nan 8.310 nan 0.000 0.512 65 G N 0.034 108.875 108.800 0.068 0.000 2.320 65 G HA2 0.505 4.465 3.960 -0.000 0.000 0.297 65 G HA3 0.505 4.465 3.960 -0.000 0.000 0.297 65 G C -0.622 174.308 174.900 0.050 0.000 1.344 65 G CA -0.380 44.758 45.100 0.064 0.000 0.851 65 G HN 0.915 nan 8.290 nan 0.000 0.567 66 G N -1.155 107.671 108.800 0.044 0.000 2.531 66 G HA2 0.534 4.494 3.960 -0.000 0.000 0.313 66 G HA3 0.534 4.494 3.960 -0.000 0.000 0.313 66 G C 0.014 174.936 174.900 0.037 0.000 1.238 66 G CA -0.660 44.461 45.100 0.035 0.000 0.994 66 G HN 0.771 nan 8.290 nan 0.000 0.493 67 N N -0.573 118.146 118.700 0.032 0.000 2.395 67 N HA 0.289 5.029 4.740 -0.000 0.000 0.246 67 N C 1.226 176.756 175.510 0.033 0.000 1.246 67 N CA 0.960 54.029 53.050 0.032 0.000 0.879 67 N CB 0.321 38.824 38.487 0.027 0.000 1.098 67 N HN 0.917 nan 8.380 nan 0.000 0.444 68 G N 0.501 109.324 108.800 0.037 0.000 2.341 68 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.292 68 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.292 68 G C 0.692 175.616 174.900 0.040 0.000 1.021 68 G CA 0.574 45.697 45.100 0.038 0.000 0.905 68 G HN 0.736 nan 8.290 nan 0.000 0.508 69 A N -0.810 122.042 122.820 0.052 0.000 1.903 69 A HA 0.687 5.007 4.320 -0.000 0.000 0.217 69 A C 2.123 179.762 177.584 0.092 0.000 1.387 69 A CA 1.711 53.782 52.037 0.057 0.000 0.604 69 A CB -0.055 18.990 19.000 0.075 0.000 1.043 69 A HN 1.996 nan 8.150 nan 0.000 0.481 70 G N -1.926 106.973 108.800 0.165 0.000 4.660 70 G HA2 0.101 4.061 3.960 -0.000 0.000 0.217 70 G HA3 0.101 4.061 3.960 -0.000 0.000 0.217 70 G C 0.787 175.827 174.900 0.233 0.000 0.646 70 G CA 0.547 45.824 45.100 0.294 0.000 0.852 70 G HN 0.319 nan 8.290 nan 0.000 0.640 71 K N 1.051 121.546 120.400 0.158 0.000 1.965 71 K HA -0.083 4.237 4.320 -0.000 0.000 0.218 71 K C 2.609 179.222 176.600 0.022 0.000 1.048 71 K CA 1.903 58.254 56.287 0.107 0.000 0.960 71 K CB -0.351 32.209 32.500 0.099 0.000 0.732 71 K HN 0.178 nan 8.250 nan 0.000 0.444 72 S N 0.909 116.617 115.700 0.014 0.000 2.369 72 S HA -0.229 4.241 4.470 -0.000 0.000 0.225 72 S C 2.297 176.864 174.600 -0.056 0.000 1.043 72 S CA 2.377 60.559 58.200 -0.030 0.000 1.074 72 S CB -1.030 62.162 63.200 -0.014 0.000 0.962 72 S HN 0.613 nan 8.310 nan 0.000 0.433 73 T N 0.295 114.838 114.554 -0.019 0.000 2.699 73 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 73 T C 1.814 176.380 174.700 -0.223 0.000 1.036 73 T CA 2.008 64.083 62.100 -0.042 0.000 1.147 73 T CB -1.372 67.555 68.868 0.097 0.000 0.862 73 T HN 0.339 nan 8.240 nan 0.000 0.446 74 T N 2.077 116.441 114.554 -0.317 0.000 2.699 74 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 74 T C 1.980 176.391 174.700 -0.482 0.000 1.036 74 T CA 1.875 63.578 62.100 -0.662 0.000 1.147 74 T CB -0.471 67.940 68.868 -0.761 0.000 0.862 74 T HN 0.472 nan 8.240 nan 0.000 0.446 75 M N 0.578 120.014 119.600 -0.272 0.000 2.200 75 M HA 0.047 4.527 4.480 -0.000 0.000 0.265 75 M C 2.845 179.054 176.300 -0.151 0.000 1.066 75 M CA 1.166 56.335 55.300 -0.218 0.000 1.127 75 M CB -0.495 31.889 32.600 -0.359 0.000 1.379 75 M HN 0.267 nan 8.290 nan 0.000 0.420 76 A N 1.276 124.034 122.820 -0.102 0.000 1.884 76 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 76 A C 2.395 179.994 177.584 0.024 0.000 1.197 76 A CA 2.264 54.306 52.037 0.007 0.000 0.637 76 A CB -1.743 17.049 19.000 -0.348 0.000 0.827 76 A HN 0.546 nan 8.150 nan 0.000 0.450 77 G N -1.617 107.015 108.800 -0.280 0.000 2.442 77 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 77 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 77 G C 1.533 176.433 174.900 0.001 0.000 1.141 77 G CA 1.009 45.857 45.100 -0.420 0.000 0.763 77 G HN 0.566 nan 8.290 nan 0.000 0.554 78 F N 0.959 120.787 119.950 -0.202 0.000 2.014 78 F HA -0.193 4.334 4.527 -0.000 0.000 0.295 78 F C 2.803 178.624 175.800 0.034 0.000 1.145 78 F CA 1.342 59.291 58.000 -0.086 0.000 1.178 78 F CB -0.212 38.713 39.000 -0.126 0.000 0.972 78 F HN 0.038 nan 8.300 nan 0.000 0.476 79 V N 0.825 120.741 119.914 0.003 0.000 2.252 79 V HA -0.462 3.657 4.120 -0.000 0.000 0.255 79 V C 2.218 178.431 176.094 0.198 0.000 1.071 79 V CA 2.610 64.883 62.300 -0.045 0.000 1.050 79 V CB -1.527 30.297 31.823 0.001 0.000 0.654 79 V HN 0.524 nan 8.190 nan 0.000 0.448 80 T N 0.113 114.872 114.554 0.342 0.000 2.635 80 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 80 T C 1.985 176.853 174.700 0.281 0.000 1.040 80 T CA 1.921 64.230 62.100 0.348 0.000 1.156 80 T CB -0.577 68.521 68.868 0.384 0.000 0.863 80 T HN 0.661 nan 8.240 nan 0.000 0.430 81 A N 0.418 123.419 122.820 0.301 0.000 2.084 81 A HA -0.015 4.305 4.320 -0.000 0.000 0.221 81 A C 2.175 180.001 177.584 0.403 0.000 1.161 81 A CA 1.208 53.425 52.037 0.301 0.000 0.653 81 A CB -0.613 18.588 19.000 0.336 0.000 0.802 81 A HN 0.502 nan 8.150 nan 0.000 0.457 82 L N -1.743 119.724 121.223 0.407 0.000 2.187 82 L HA 0.177 4.517 4.340 -0.000 0.000 0.197 82 L C 0.079 177.269 176.870 0.533 0.000 1.090 82 L CA 0.338 55.478 54.840 0.499 0.000 0.781 82 L CB -0.178 42.125 42.059 0.406 0.000 0.956 82 L HN 0.169 nan 8.230 nan 0.000 0.463 83 I N 1.845 122.680 120.570 0.442 0.000 2.317 83 I HA 0.121 4.291 4.170 -0.000 0.000 0.286 83 I C -1.718 174.558 176.117 0.265 0.000 1.119 83 I CA -1.486 60.071 61.300 0.429 0.000 1.228 83 I CB 0.588 38.907 38.000 0.531 0.000 1.476 83 I HN -0.018 nan 8.210 nan 0.000 0.514 84 P HA -0.069 nan 4.420 nan 0.000 0.253 84 P C 0.056 177.389 177.300 0.055 0.000 1.281 84 P CA 0.254 63.387 63.100 0.055 0.000 0.792 84 P CB 0.151 31.788 31.700 -0.104 0.000 1.193 85 D N 0.957 121.403 120.400 0.077 0.000 2.352 85 D HA 0.050 4.690 4.640 -0.000 0.000 0.245 85 D C 1.335 177.668 176.300 0.056 0.000 1.224 85 D CA -0.200 53.829 54.000 0.049 0.000 0.879 85 D CB 0.846 41.675 40.800 0.048 0.000 1.057 85 D HN -0.003 nan 8.370 nan 0.000 0.491 86 L N 3.077 124.326 121.223 0.044 0.000 2.131 86 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 86 L C 2.509 179.377 176.870 -0.004 0.000 1.092 86 L CA 1.019 55.887 54.840 0.046 0.000 0.759 86 L CB -0.649 41.435 42.059 0.043 0.000 0.903 86 L HN 0.424 nan 8.230 nan 0.000 0.435 87 T N 0.448 114.985 114.554 -0.028 0.000 2.620 87 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 87 T C 1.746 176.360 174.700 -0.142 0.000 1.044 87 T CA 1.690 63.753 62.100 -0.062 0.000 1.161 87 T CB -0.277 68.560 68.868 -0.052 0.000 0.862 87 T HN 0.091 nan 8.240 nan 0.000 0.438 88 L N -0.169 120.911 121.223 -0.239 0.000 2.249 88 L HA 0.314 4.654 4.340 -0.000 0.000 0.207 88 L C 0.928 177.317 176.870 -0.802 0.000 1.090 88 L CA 0.508 54.989 54.840 -0.599 0.000 0.802 88 L CB -0.823 40.772 42.059 -0.774 0.000 0.947 88 L HN 0.239 nan 8.230 nan 0.000 0.453 89 L N 2.238 123.282 121.223 -0.298 0.000 2.698 89 L HA -0.014 4.326 4.340 -0.000 0.000 0.272 89 L C 0.172 177.075 176.870 0.055 0.000 1.154 89 L CA 0.384 55.254 54.840 0.050 0.000 0.964 89 L CB -0.390 41.838 42.059 0.281 0.000 1.272 89 L HN 0.330 nan 8.230 nan 0.000 0.483 90 N N 4.679 123.383 118.700 0.008 0.000 2.594 90 N HA 0.150 4.890 4.740 -0.000 0.000 0.280 90 N C -1.269 174.272 175.510 0.052 0.000 1.156 90 N CA -0.466 52.633 53.050 0.082 0.000 0.831 90 N CB 0.845 39.339 38.487 0.011 0.000 1.379 90 N HN 0.139 nan 8.380 nan 0.000 0.536 91 F N 3.686 123.750 119.950 0.189 0.000 2.499 91 F HA 0.420 4.947 4.527 -0.000 0.000 0.353 91 F C 1.610 177.526 175.800 0.193 0.000 1.196 91 F CA -0.571 57.548 58.000 0.198 0.000 1.244 91 F CB 0.212 39.291 39.000 0.133 0.000 1.577 91 F HN 0.154 nan 8.300 nan 0.000 0.614 92 R N 0.586 121.303 120.500 0.362 0.000 3.313 92 R HA 0.102 4.442 4.340 -0.000 0.000 0.183 92 R C 0.074 176.557 176.300 0.305 0.000 0.873 92 R CA -0.415 55.863 56.100 0.298 0.000 1.253 92 R CB 0.043 30.497 30.300 0.257 0.000 0.675 92 R HN 0.347 nan 8.270 nan 0.000 0.479 93 N N -0.879 117.988 118.700 0.278 0.000 2.272 93 N HA 0.054 4.794 4.740 -0.000 0.000 0.305 93 N C -0.141 175.499 175.510 0.217 0.000 1.103 93 N CA -0.427 52.733 53.050 0.183 0.000 0.791 93 N CB 1.639 40.200 38.487 0.123 0.000 1.356 93 N HN 0.528 nan 8.380 nan 0.000 0.486 94 T N -1.642 112.958 114.554 0.076 0.000 3.219 94 T HA -0.102 4.247 4.350 -0.000 0.000 0.264 94 T C 1.006 175.782 174.700 0.126 0.000 1.178 94 T CA 1.307 63.453 62.100 0.078 0.000 1.057 94 T CB -1.038 67.811 68.868 -0.031 0.000 0.919 94 T HN 0.608 nan 8.240 nan 0.000 0.545 95 T N -1.741 112.888 114.554 0.124 0.000 3.092 95 T HA 0.339 4.689 4.350 -0.000 0.000 0.258 95 T C -0.028 174.729 174.700 0.095 0.000 1.031 95 T CA -0.664 61.491 62.100 0.093 0.000 0.925 95 T CB -0.030 68.879 68.868 0.068 0.000 1.036 95 T HN 0.574 nan 8.240 nan 0.000 0.544 96 E N 0.192 120.473 120.200 0.135 0.000 2.448 96 E HA 0.565 4.915 4.350 -0.000 0.000 0.288 96 E C -0.042 176.596 176.600 0.063 0.000 0.936 96 E CA -0.534 55.919 56.400 0.087 0.000 0.809 96 E CB 1.686 31.430 29.700 0.074 0.000 1.408 96 E HN 0.197 nan 8.360 nan 0.000 0.393 97 A N 1.849 124.671 122.820 0.003 0.000 2.192 97 A HA 0.297 4.617 4.320 -0.000 0.000 0.208 97 A C 1.489 178.976 177.584 -0.162 0.000 1.220 97 A CA 0.608 52.564 52.037 -0.135 0.000 0.900 97 A CB 0.464 19.455 19.000 -0.015 0.000 0.937 97 A HN 0.522 nan 8.150 nan 0.000 0.487 98 G N -0.069 108.683 108.800 -0.081 0.000 3.605 98 G HA2 0.340 4.300 3.960 -0.000 0.000 0.277 98 G HA3 0.340 4.300 3.960 -0.000 0.000 0.277 98 G C -0.008 174.857 174.900 -0.057 0.000 1.093 98 G CA 0.133 45.191 45.100 -0.070 0.000 0.821 98 G HN 0.211 nan 8.290 nan 0.000 0.532 99 S N 1.364 117.026 115.700 -0.063 0.000 3.024 99 S HA 0.136 4.606 4.470 -0.000 0.000 0.316 99 S C 0.806 175.381 174.600 -0.042 0.000 1.197 99 S CA 0.061 58.237 58.200 -0.040 0.000 1.097 99 S CB 0.196 63.382 63.200 -0.024 0.000 1.471 99 S HN 0.212 nan 8.310 nan 0.000 0.543 100 T N 2.898 117.433 114.554 -0.033 0.000 3.843 100 T HA 0.130 4.480 4.350 -0.000 0.000 0.227 100 T C 0.315 175.003 174.700 -0.020 0.000 1.043 100 T CA -0.107 61.975 62.100 -0.029 0.000 1.012 100 T CB -0.365 68.489 68.868 -0.024 0.000 1.279 100 T HN 0.331 nan 8.240 nan 0.000 0.730 101 S N 1.306 116.995 115.700 -0.017 0.000 2.128 101 S HA 0.296 4.766 4.470 -0.000 0.000 0.157 101 S C 0.546 175.142 174.600 -0.007 0.000 1.650 101 S CA -0.670 57.524 58.200 -0.009 0.000 1.269 101 S CB 0.557 63.755 63.200 -0.003 0.000 1.227 101 S HN 0.423 nan 8.310 nan 0.000 0.405 106 K N -0.612 119.822 120.400 0.057 0.000 1.961 106 K HA 0.785 5.105 4.320 -0.000 0.000 0.247 106 K C 0.256 176.947 176.600 0.152 0.000 0.976 106 K CA -0.251 56.104 56.287 0.114 0.000 0.828 106 K CB 1.358 33.929 32.500 0.120 0.000 1.585 106 K HN 0.300 nan 8.250 nan 0.000 0.537 107 G N -0.070 108.866 108.800 0.225 0.000 2.692 107 G HA2 0.033 3.993 3.960 -0.000 0.000 0.201 107 G HA3 0.033 3.993 3.960 -0.000 0.000 0.201 107 G C 0.917 175.831 174.900 0.025 0.000 1.063 107 G CA -0.082 45.134 45.100 0.192 0.000 0.790 107 G HN 0.339 nan 8.290 nan 0.000 0.599 108 L N -0.186 121.071 121.223 0.056 0.000 2.141 108 L HA 0.108 4.447 4.340 -0.000 0.000 0.209 108 L C 2.389 179.193 176.870 -0.111 0.000 1.094 108 L CA 1.148 55.926 54.840 -0.103 0.000 0.763 108 L CB -0.182 41.909 42.059 0.053 0.000 0.908 108 L HN 0.336 nan 8.230 nan 0.000 0.437 109 Y N 0.234 120.462 120.300 -0.120 0.000 2.036 109 Y HA -0.212 4.337 4.550 -0.000 0.000 0.273 109 Y C 2.309 178.105 175.900 -0.174 0.000 1.135 109 Y CA 1.936 59.950 58.100 -0.143 0.000 1.106 109 Y CB -1.017 37.393 38.460 -0.082 0.000 0.976 109 Y HN 0.153 nan 8.280 nan 0.000 0.483 110 G N 0.509 109.369 108.800 0.099 0.000 2.599 110 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.219 110 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.219 110 G C 1.506 176.301 174.900 -0.174 0.000 1.193 110 G CA 1.446 46.532 45.100 -0.022 0.000 0.778 110 G HN 0.479 nan 8.290 nan 0.000 0.589 111 K N -0.513 119.805 120.400 -0.138 0.000 2.641 111 K HA -0.017 4.302 4.320 -0.000 0.000 0.195 111 K C -0.461 175.991 176.600 -0.248 0.000 1.041 111 K CA 0.102 56.354 56.287 -0.058 0.000 0.937 111 K CB -0.246 32.312 32.500 0.097 0.000 0.779 111 K HN 0.186 nan 8.250 nan 0.000 0.492 112 L N 0.203 121.133 121.223 -0.488 0.000 2.370 112 L HA 0.298 4.638 4.340 -0.000 0.000 0.266 112 L C 0.097 176.724 176.870 -0.405 0.000 1.002 112 L CA -0.714 53.763 54.840 -0.605 0.000 0.818 112 L CB 1.668 43.209 42.059 -0.864 0.000 1.325 112 L HN -0.216 nan 8.230 nan 0.000 0.418 113 K N 0.693 120.925 120.400 -0.281 0.000 2.583 113 K HA 0.837 5.157 4.320 -0.000 0.000 0.263 113 K C -0.453 176.014 176.600 -0.222 0.000 1.038 113 K CA -0.918 55.241 56.287 -0.214 0.000 1.031 113 K CB 0.747 33.162 32.500 -0.143 0.000 1.399 113 K HN 0.616 nan 8.250 nan 0.000 0.531 114 A N -0.137 122.587 122.820 -0.160 0.000 2.388 114 A HA 0.542 4.862 4.320 -0.000 0.000 0.257 114 A C 0.635 178.155 177.584 -0.106 0.000 1.095 114 A CA 0.849 52.810 52.037 -0.127 0.000 0.791 114 A CB -0.317 18.631 19.000 -0.087 0.000 1.029 114 A HN 0.800 nan 8.150 nan 0.000 0.489 115 G N -0.311 108.432 108.800 -0.095 0.000 2.416 115 G HA2 0.168 4.128 3.960 -0.000 0.000 0.203 115 G HA3 0.168 4.128 3.960 -0.000 0.000 0.203 115 G C -0.559 174.280 174.900 -0.102 0.000 1.227 115 G CA -0.351 44.707 45.100 -0.070 0.000 1.041 115 G HN 1.716 nan 8.290 nan 0.000 0.546 116 V N 0.103 119.963 119.914 -0.090 0.000 2.427 116 V HA 0.634 4.754 4.120 -0.000 0.000 0.286 116 V C 0.730 176.683 176.094 -0.236 0.000 1.034 116 V CA -0.185 62.003 62.300 -0.186 0.000 0.893 116 V CB 0.546 32.264 31.823 -0.175 0.000 0.982 116 V HN 1.205 nan 8.190 nan 0.000 0.452 117 C N 3.265 122.336 119.300 -0.382 0.000 2.973 117 C HA 0.950 5.410 4.460 -0.000 0.000 0.329 117 C C -0.807 173.886 174.990 -0.494 0.000 1.327 117 C CA -0.950 57.900 59.018 -0.280 0.000 1.632 117 C CB 1.411 29.000 27.740 -0.251 0.000 2.098 117 C HN 0.793 nan 8.230 nan 0.000 0.469 118 Y N -0.924 119.497 120.300 0.202 0.000 2.744 118 Y HA 0.684 5.234 4.550 -0.000 0.000 0.330 118 Y C -0.175 175.941 175.900 0.359 0.000 1.263 118 Y CA -0.657 57.545 58.100 0.170 0.000 1.065 118 Y CB 1.503 39.861 38.460 -0.170 0.000 1.306 118 Y HN 0.976 nan 8.280 nan 0.000 0.459 119 A N 1.092 124.161 122.820 0.415 0.000 2.541 119 A HA 0.698 5.018 4.320 -0.000 0.000 0.285 119 A C -2.124 175.561 177.584 0.168 0.000 1.058 119 A CA -0.478 51.693 52.037 0.223 0.000 0.886 119 A CB 0.104 19.289 19.000 0.309 0.000 1.411 119 A HN 0.481 nan 8.150 nan 0.000 0.403 120 V N 1.943 121.928 119.914 0.120 0.000 3.001 120 V HA 0.714 4.833 4.120 -0.000 0.000 0.314 120 V C -0.324 175.865 176.094 0.158 0.000 1.099 120 V CA -0.810 61.576 62.300 0.145 0.000 0.989 120 V CB 2.068 34.022 31.823 0.218 0.000 1.040 120 V HN 0.759 nan 8.190 nan 0.000 0.434 121 L N 1.572 122.919 121.223 0.206 0.000 2.386 121 L HA 0.628 4.968 4.340 -0.000 0.000 0.271 121 L C -0.385 176.645 176.870 0.265 0.000 0.993 121 L CA -0.387 54.599 54.840 0.243 0.000 0.819 121 L CB 2.234 44.487 42.059 0.324 0.000 1.294 121 L HN 0.723 nan 8.230 nan 0.000 0.414 122 E N 1.648 122.012 120.200 0.273 0.000 2.134 122 E HA 0.417 4.767 4.350 -0.000 0.000 0.278 122 E C -1.206 175.503 176.600 0.183 0.000 0.959 122 E CA -0.360 56.169 56.400 0.215 0.000 0.783 122 E CB 1.434 31.250 29.700 0.193 0.000 1.095 122 E HN 0.536 nan 8.360 nan 0.000 0.399 123 T N 2.574 117.179 114.554 0.085 0.000 2.885 123 T HA 0.327 4.677 4.350 -0.000 0.000 0.285 123 T C -0.558 174.110 174.700 -0.053 0.000 1.019 123 T CA -0.608 61.458 62.100 -0.057 0.000 1.010 123 T CB 1.582 70.362 68.868 -0.148 0.000 1.022 123 T HN 0.214 nan 8.240 nan 0.000 0.466 124 V N 3.468 123.321 119.914 -0.102 0.000 2.220 124 V HA 0.250 4.370 4.120 -0.000 0.000 0.265 124 V C 0.625 176.656 176.094 -0.105 0.000 1.078 124 V CA -0.885 61.374 62.300 -0.068 0.000 0.872 124 V CB -0.201 31.598 31.823 -0.040 0.000 1.121 124 V HN 0.829 nan 8.190 nan 0.000 0.460 125 N N 1.571 120.208 118.700 -0.106 0.000 2.395 125 N HA -0.047 4.693 4.740 -0.000 0.000 0.246 125 N C 1.352 176.804 175.510 -0.096 0.000 1.246 125 N CA 0.119 53.095 53.050 -0.124 0.000 0.879 125 N CB 0.678 39.094 38.487 -0.119 0.000 1.098 125 N HN 0.531 nan 8.380 nan 0.000 0.444 126 S N 1.850 117.488 115.700 -0.104 0.000 2.520 126 S HA -0.117 4.352 4.470 -0.000 0.000 0.249 126 S C 0.964 175.526 174.600 -0.063 0.000 0.983 126 S CA 1.031 59.183 58.200 -0.079 0.000 0.958 126 S CB -0.119 63.032 63.200 -0.083 0.000 0.750 126 S HN 0.559 nan 8.310 nan 0.000 0.527 127 R N 0.522 120.982 120.500 -0.066 0.000 2.507 127 R HA 0.414 4.754 4.340 -0.000 0.000 0.298 127 R C 0.782 177.060 176.300 -0.036 0.000 0.999 127 R CA 0.373 56.443 56.100 -0.050 0.000 1.082 127 R CB 0.100 30.368 30.300 -0.054 0.000 1.246 127 R HN 0.264 nan 8.270 nan 0.000 0.553 128 A N 1.316 124.114 122.820 -0.037 0.000 2.783 128 A HA -0.255 4.065 4.320 -0.000 0.000 0.292 128 A C -0.063 177.511 177.584 -0.016 0.000 1.495 128 A CA 1.015 53.038 52.037 -0.023 0.000 0.787 128 A CB -1.523 17.468 19.000 -0.015 0.000 1.017 128 A HN 0.508 nan 8.150 nan 0.000 0.516 129 Q N -0.651 119.134 119.800 -0.024 0.000 2.340 129 Q HA 0.404 4.744 4.340 -0.000 0.000 0.259 129 Q C 0.348 176.348 176.000 0.000 0.000 0.964 129 Q CA -0.566 55.232 55.803 -0.009 0.000 0.900 129 Q CB 1.322 30.049 28.738 -0.018 0.000 1.228 129 Q HN 0.555 nan 8.270 nan 0.000 0.449 130 R N 3.297 123.814 120.500 0.027 0.000 2.537 130 R HA 0.274 4.614 4.340 -0.000 0.000 0.280 130 R C -0.868 175.476 176.300 0.073 0.000 1.058 130 R CA 0.325 56.454 56.100 0.048 0.000 1.057 130 R CB 0.416 30.753 30.300 0.062 0.000 0.973 130 R HN 0.592 nan 8.270 nan 0.000 0.438 131 I N 5.838 126.458 120.570 0.083 0.000 2.533 131 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 131 I C -0.376 175.849 176.117 0.181 0.000 1.056 131 I CA -0.721 60.658 61.300 0.131 0.000 1.057 131 I CB 2.287 40.322 38.000 0.058 0.000 1.240 131 I HN 0.584 nan 8.210 nan 0.000 0.423 132 I N 5.502 126.219 120.570 0.246 0.000 2.479 132 I HA 0.141 4.311 4.170 -0.000 0.000 0.279 132 I C 0.097 176.388 176.117 0.291 0.000 1.102 132 I CA -0.271 61.189 61.300 0.268 0.000 1.196 132 I CB 0.997 39.165 38.000 0.280 0.000 1.427 132 I HN 0.551 nan 8.210 nan 0.000 0.503 133 T N 1.278 115.991 114.554 0.264 0.000 2.727 133 T HA 0.714 5.064 4.350 -0.000 0.000 0.298 133 T C 0.158 174.964 174.700 0.177 0.000 0.942 133 T CA -0.624 61.635 62.100 0.265 0.000 0.997 133 T CB 1.493 70.503 68.868 0.237 0.000 0.917 133 T HN 0.570 nan 8.240 nan 0.000 0.487 134 G N 1.381 110.074 108.800 -0.178 0.000 2.694 134 G HA2 0.635 4.595 3.960 -0.000 0.000 0.290 134 G HA3 0.635 4.595 3.960 -0.000 0.000 0.290 134 G C -1.558 172.956 174.900 -0.644 0.000 1.386 134 G CA -0.869 43.975 45.100 -0.428 0.000 0.872 134 G HN 0.774 nan 8.290 nan 0.000 0.475 135 V N 0.859 120.681 119.914 -0.152 0.000 2.604 135 V HA 0.616 4.736 4.120 -0.000 0.000 0.305 135 V C -0.029 176.330 176.094 0.442 0.000 1.043 135 V CA -0.983 61.353 62.300 0.062 0.000 0.888 135 V CB 1.663 33.519 31.823 0.055 0.000 0.995 135 V HN 0.755 nan 8.190 nan 0.000 0.429 136 R N 3.736 124.543 120.500 0.512 0.000 2.407 136 R HA 0.738 5.078 4.340 -0.000 0.000 0.303 136 R C -1.872 174.469 176.300 0.068 0.000 0.981 136 R CA -0.400 55.922 56.100 0.370 0.000 0.905 136 R CB 1.442 31.977 30.300 0.392 0.000 1.099 136 R HN 0.574 nan 8.270 nan 0.000 0.459 137 L N 2.041 123.191 121.223 -0.121 0.000 2.309 137 L HA 0.559 4.899 4.340 -0.000 0.000 0.261 137 L C -0.738 176.001 176.870 -0.219 0.000 1.021 137 L CA -0.616 54.136 54.840 -0.148 0.000 0.823 137 L CB 1.991 43.935 42.059 -0.192 0.000 1.366 137 L HN 0.669 nan 8.230 nan 0.000 0.423 138 Q N 0.536 120.226 119.800 -0.182 0.000 2.507 138 Q HA 0.275 4.615 4.340 -0.000 0.000 0.248 138 Q C -1.529 174.389 176.000 -0.136 0.000 0.941 138 Q CA -0.510 55.191 55.803 -0.170 0.000 1.003 138 Q CB 1.567 30.231 28.738 -0.123 0.000 1.517 138 Q HN 0.643 nan 8.270 nan 0.000 0.443 139 Q N 1.832 121.534 119.800 -0.163 0.000 2.793 139 Q HA 0.245 4.585 4.340 -0.000 0.000 0.220 139 Q C -0.104 175.892 176.000 -0.007 0.000 1.123 139 Q CA 0.312 56.057 55.803 -0.097 0.000 1.073 139 Q CB 0.603 29.261 28.738 -0.134 0.000 1.315 139 Q HN 0.453 nan 8.270 nan 0.000 0.619 140 I N -0.384 120.230 120.570 0.073 0.000 2.865 140 I HA 0.252 4.422 4.170 -0.000 0.000 0.302 140 I C -0.646 175.503 176.117 0.053 0.000 1.140 140 I CA -0.879 60.448 61.300 0.046 0.000 1.021 140 I CB 1.565 39.588 38.000 0.038 0.000 1.233 140 I HN 0.784 nan 8.210 nan 0.000 0.427 141 A N 2.864 125.698 122.820 0.023 0.000 2.517 141 A HA 0.051 4.371 4.320 -0.000 0.000 0.286 141 A C 0.986 178.579 177.584 0.014 0.000 0.908 141 A CA 0.928 52.974 52.037 0.014 0.000 1.089 141 A CB -0.774 18.227 19.000 0.002 0.000 0.754 141 A HN 1.034 nan 8.150 nan 0.000 0.410 142 G N 2.161 110.972 108.800 0.018 0.000 2.563 142 G HA2 0.369 4.328 3.960 -0.000 0.000 0.295 142 G HA3 0.369 4.328 3.960 -0.000 0.000 0.295 142 G C 0.705 175.592 174.900 -0.022 0.000 0.874 142 G CA 0.338 45.441 45.100 0.005 0.000 1.642 142 G HN 1.071 nan 8.290 nan 0.000 0.483 143 R N 0.974 121.448 120.500 -0.044 0.000 2.771 143 R HA 0.098 4.438 4.340 -0.000 0.000 0.177 143 R C -0.963 175.294 176.300 -0.071 0.000 0.937 143 R CA 0.164 56.236 56.100 -0.046 0.000 1.536 143 R CB 0.733 31.014 30.300 -0.031 0.000 1.696 143 R HN 0.501 nan 8.270 nan 0.000 0.550 144 D N 0.668 121.013 120.400 -0.091 0.000 2.990 144 D HA 0.168 4.808 4.640 -0.000 0.000 0.227 144 D C -1.423 174.760 176.300 -0.194 0.000 1.249 144 D CA -0.536 53.392 54.000 -0.121 0.000 0.891 144 D CB 1.808 42.562 40.800 -0.076 0.000 1.647 144 D HN -0.012 nan 8.370 nan 0.000 0.530 145 K N 3.135 123.346 120.400 -0.315 0.000 2.021 145 K HA 0.113 4.432 4.320 -0.000 0.000 0.238 145 K C -0.004 176.466 176.600 -0.217 0.000 1.149 145 K CA 0.260 56.205 56.287 -0.569 0.000 1.105 145 K CB 0.181 32.294 32.500 -0.646 0.000 1.246 145 K HN 0.197 nan 8.250 nan 0.000 0.307 146 K N 1.550 121.910 120.400 -0.066 0.000 2.328 146 K HA 0.472 4.792 4.320 -0.000 0.000 0.246 146 K C -0.817 175.855 176.600 0.121 0.000 0.955 146 K CA -0.883 55.423 56.287 0.032 0.000 0.817 146 K CB 1.656 34.158 32.500 0.004 0.000 1.208 146 K HN 0.213 nan 8.250 nan 0.000 0.432 147 V N -1.384 118.582 119.914 0.086 0.000 3.159 147 V HA 0.580 4.700 4.120 -0.000 0.000 0.308 147 V C -1.279 174.825 176.094 0.016 0.000 1.190 147 V CA -0.973 61.358 62.300 0.051 0.000 1.037 147 V CB 1.946 33.783 31.823 0.024 0.000 1.060 147 V HN 0.807 nan 8.190 nan 0.000 0.437 148 D N 0.220 120.615 120.400 -0.009 0.000 2.340 148 D HA 0.783 5.423 4.640 -0.000 0.000 0.240 148 D C -1.055 175.245 176.300 -0.001 0.000 1.001 148 D CA -0.398 53.601 54.000 -0.002 0.000 0.888 148 D CB 1.877 42.675 40.800 -0.004 0.000 1.310 148 D HN 0.765 nan 8.370 nan 0.000 0.474 149 I N 2.240 122.822 120.570 0.020 0.000 2.569 149 I HA 0.451 4.620 4.170 -0.000 0.000 0.290 149 I C -0.701 175.452 176.117 0.060 0.000 1.088 149 I CA -0.894 60.427 61.300 0.035 0.000 1.047 149 I CB 1.812 39.826 38.000 0.024 0.000 1.237 149 I HN 0.095 nan 8.210 nan 0.000 0.421 150 R N 5.214 125.780 120.500 0.110 0.000 2.521 150 R HA 0.412 4.752 4.340 -0.000 0.000 0.295 150 R C -2.841 173.604 176.300 0.241 0.000 1.183 150 R CA -2.056 54.148 56.100 0.175 0.000 0.957 150 R CB 1.756 32.182 30.300 0.211 0.000 1.171 150 R HN 0.196 nan 8.270 nan 0.000 0.494 151 P HA 0.195 nan 4.420 nan 0.000 0.271 151 P C -0.831 176.754 177.300 0.475 0.000 1.216 151 P CA 0.014 63.089 63.100 -0.042 0.000 0.776 151 P CB 0.409 31.864 31.700 -0.408 0.000 0.881 152 F N -0.795 119.448 119.950 0.489 0.000 2.668 152 F HA 0.777 5.303 4.527 -0.000 0.000 0.309 152 F C -1.216 174.932 175.800 0.581 0.000 1.117 152 F CA -1.059 57.260 58.000 0.533 0.000 0.951 152 F CB 0.972 40.291 39.000 0.531 0.000 1.323 152 F HN 0.315 nan 8.300 nan 0.000 0.451 153 S N 1.539 117.620 115.700 0.635 0.000 2.595 153 S HA 0.885 5.355 4.470 -0.000 0.000 0.281 153 S C -1.710 173.189 174.600 0.499 0.000 1.117 153 S CA -0.911 57.552 58.200 0.438 0.000 0.873 153 S CB 2.076 65.349 63.200 0.121 0.000 1.108 153 S HN 0.911 nan 8.310 nan 0.000 0.477 154 L N 1.342 122.804 121.223 0.398 0.000 2.406 154 L HA 0.550 4.890 4.340 -0.000 0.000 0.272 154 L C -0.459 176.569 176.870 0.263 0.000 0.980 154 L CA -0.346 54.676 54.840 0.303 0.000 0.831 154 L CB 2.089 44.270 42.059 0.202 0.000 1.253 154 L HN 0.773 nan 8.230 nan 0.000 0.406 155 Q N 2.596 122.537 119.800 0.234 0.000 2.257 155 Q HA 0.344 4.684 4.340 -0.000 0.000 0.262 155 Q C -0.340 175.761 176.000 0.169 0.000 0.997 155 Q CA -0.621 55.306 55.803 0.207 0.000 0.873 155 Q CB 1.320 30.179 28.738 0.202 0.000 1.312 155 Q HN 0.509 nan 8.270 nan 0.000 0.450 156 N N 1.155 119.935 118.700 0.133 0.000 2.614 156 N HA -0.147 4.593 4.740 -0.000 0.000 0.276 156 N C -1.751 173.823 175.510 0.107 0.000 1.119 156 N CA 0.478 53.589 53.050 0.101 0.000 0.742 156 N CB -0.534 38.005 38.487 0.086 0.000 0.900 156 N HN 0.279 nan 8.380 nan 0.000 0.549 157 V N 3.107 123.083 119.914 0.103 0.000 2.257 157 V HA 0.228 4.348 4.120 -0.000 0.000 0.269 157 V C -1.771 174.355 176.094 0.054 0.000 1.040 157 V CA -1.362 60.996 62.300 0.096 0.000 0.813 157 V CB 1.413 33.308 31.823 0.120 0.000 1.065 157 V HN 0.217 nan 8.190 nan 0.000 0.457 158 P HA -0.080 nan 4.420 nan 0.000 0.255 158 P C 1.101 178.410 177.300 0.014 0.000 1.141 158 P CA 0.483 63.590 63.100 0.011 0.000 0.767 158 P CB 0.315 32.007 31.700 -0.013 0.000 0.726 159 M N 2.261 121.872 119.600 0.019 0.000 2.773 159 M HA -0.111 4.369 4.480 -0.000 0.000 0.247 159 M C 1.090 177.397 176.300 0.012 0.000 1.047 159 M CA 1.516 56.828 55.300 0.021 0.000 1.065 159 M CB -1.124 31.488 32.600 0.020 0.000 1.414 159 M HN 0.310 nan 8.290 nan 0.000 0.548 160 T N -0.896 113.660 114.554 0.003 0.000 2.976 160 T HA 0.013 4.362 4.350 -0.000 0.000 0.257 160 T C 0.631 175.326 174.700 -0.007 0.000 1.051 160 T CA 0.417 62.515 62.100 -0.004 0.000 1.141 160 T CB 0.231 69.091 68.868 -0.013 0.000 0.881 160 T HN 0.304 nan 8.240 nan 0.000 0.461 161 D N 2.609 123.003 120.400 -0.010 0.000 2.210 161 D HA 0.295 4.935 4.640 -0.000 0.000 0.249 161 D C 0.149 176.451 176.300 0.003 0.000 1.078 161 D CA -0.018 53.973 54.000 -0.014 0.000 0.875 161 D CB 1.427 42.206 40.800 -0.034 0.000 1.175 161 D HN 0.293 nan 8.370 nan 0.000 0.440 162 S N 0.298 116.000 115.700 0.004 0.000 2.576 162 S HA 0.092 4.562 4.470 -0.000 0.000 0.276 162 S C 1.531 176.150 174.600 0.032 0.000 1.339 162 S CA -0.874 57.338 58.200 0.021 0.000 1.039 162 S CB 1.271 64.481 63.200 0.017 0.000 0.902 162 S HN 0.243 nan 8.310 nan 0.000 0.516 163 V N 2.656 122.608 119.914 0.063 0.000 2.453 163 V HA -0.206 3.914 4.120 -0.000 0.000 0.252 163 V C 2.052 178.222 176.094 0.126 0.000 1.068 163 V CA 1.893 64.254 62.300 0.102 0.000 1.070 163 V CB -1.171 30.742 31.823 0.149 0.000 0.664 163 V HN 0.887 nan 8.190 nan 0.000 0.461 164 I N -0.350 120.289 120.570 0.116 0.000 2.928 164 I HA -0.069 4.101 4.170 -0.000 0.000 0.266 164 I C 1.822 177.988 176.117 0.082 0.000 1.234 164 I CA 0.836 62.224 61.300 0.147 0.000 1.483 164 I CB -0.251 37.808 38.000 0.098 0.000 1.097 164 I HN 0.158 nan 8.210 nan 0.000 0.455 165 S N 0.776 116.485 115.700 0.015 0.000 2.743 165 S HA 0.260 4.729 4.470 -0.000 0.000 0.230 165 S C 1.473 176.025 174.600 -0.081 0.000 0.950 165 S CA 0.236 58.423 58.200 -0.022 0.000 0.976 165 S CB -0.073 63.112 63.200 -0.025 0.000 0.779 165 S HN 0.341 nan 8.310 nan 0.000 0.487 166 L N -1.112 119.995 121.223 -0.194 0.000 2.537 166 L HA 0.341 4.681 4.340 -0.000 0.000 0.224 166 L C 0.081 176.546 176.870 -0.675 0.000 1.065 166 L CA 0.531 55.096 54.840 -0.458 0.000 0.860 166 L CB 0.130 41.710 42.059 -0.798 0.000 1.086 166 L HN 0.283 nan 8.230 nan 0.000 0.482 167 F N 0.176 120.104 119.950 -0.035 0.000 2.908 167 F HA 0.280 4.806 4.527 -0.000 0.000 0.328 167 F C 0.538 176.362 175.800 0.039 0.000 1.211 167 F CA -0.611 57.369 58.000 -0.034 0.000 1.291 167 F CB 0.249 39.194 39.000 -0.091 0.000 0.962 167 F HN -0.142 nan 8.300 nan 0.000 0.505 168 T N -3.338 111.284 114.554 0.112 0.000 2.894 168 T HA 0.747 5.097 4.350 -0.000 0.000 0.309 168 T C -0.686 174.037 174.700 0.037 0.000 1.208 168 T CA -0.719 61.427 62.100 0.076 0.000 1.016 168 T CB 3.005 71.893 68.868 0.033 0.000 1.192 168 T HN 0.121 nan 8.240 nan 0.000 0.491 169 E N 0.046 120.266 120.200 0.034 0.000 2.447 169 E HA 0.524 4.874 4.350 -0.000 0.000 0.258 169 E C -1.028 175.580 176.600 0.013 0.000 0.916 169 E CA -1.090 55.323 56.400 0.022 0.000 0.846 169 E CB 1.416 31.137 29.700 0.033 0.000 1.517 169 E HN 0.409 nan 8.360 nan 0.000 0.418 170 Q N 1.308 121.115 119.800 0.012 0.000 3.021 170 Q HA 0.315 4.655 4.340 -0.000 0.000 0.234 170 Q C -1.591 174.417 176.000 0.015 0.000 0.930 170 Q CA -0.187 55.622 55.803 0.010 0.000 0.714 170 Q CB 1.715 30.454 28.738 0.002 0.000 1.325 170 Q HN 0.236 nan 8.270 nan 0.000 0.473 171 V N 0.589 120.517 119.914 0.023 0.000 2.417 171 V HA 0.552 4.672 4.120 -0.000 0.000 0.291 171 V C 0.917 177.025 176.094 0.024 0.000 1.024 171 V CA -0.023 62.291 62.300 0.023 0.000 0.861 171 V CB 1.413 33.253 31.823 0.028 0.000 0.985 171 V HN 0.780 nan 8.190 nan 0.000 0.436 172 A N 4.777 127.608 122.820 0.019 0.000 2.790 172 A HA -0.262 4.058 4.320 -0.000 0.000 0.277 172 A C 0.719 178.315 177.584 0.020 0.000 1.435 172 A CA 1.187 53.235 52.037 0.018 0.000 0.877 172 A CB -2.261 16.751 19.000 0.019 0.000 1.007 172 A HN 1.650 nan 8.150 nan 0.000 0.613 173 N N -2.000 116.712 118.700 0.019 0.000 2.746 173 N HA -0.155 4.585 4.740 -0.000 0.000 0.250 173 N C -0.599 174.928 175.510 0.029 0.000 1.055 173 N CA 1.967 55.029 53.050 0.019 0.000 0.699 173 N CB -0.887 37.609 38.487 0.015 0.000 0.919 173 N HN 1.034 nan 8.380 nan 0.000 0.548 174 K N -0.332 120.091 120.400 0.038 0.000 2.587 174 K HA 0.634 4.954 4.320 -0.000 0.000 0.256 174 K C -0.468 176.172 176.600 0.067 0.000 0.974 174 K CA -0.242 56.084 56.287 0.064 0.000 0.855 174 K CB 1.100 33.645 32.500 0.075 0.000 1.292 174 K HN 0.223 nan 8.250 nan 0.000 0.444 175 A N 2.462 125.315 122.820 0.054 0.000 2.567 175 A HA 0.190 4.510 4.320 -0.000 0.000 0.236 175 A C -0.100 177.545 177.584 0.101 0.000 1.088 175 A CA 0.552 52.597 52.037 0.013 0.000 0.776 175 A CB 0.207 19.089 19.000 -0.196 0.000 1.033 175 A HN 0.680 nan 8.150 nan 0.000 0.513 176 R N 0.705 121.257 120.500 0.086 0.000 2.631 176 R HA 0.422 4.762 4.340 -0.000 0.000 0.289 176 R C -1.589 174.792 176.300 0.136 0.000 1.303 176 R CA -0.342 55.829 56.100 0.119 0.000 0.989 176 R CB 0.155 30.506 30.300 0.084 0.000 1.208 176 R HN 0.559 nan 8.270 nan 0.000 0.461 177 V N 5.680 125.707 119.914 0.187 0.000 2.673 177 V HA 0.197 4.317 4.120 -0.000 0.000 0.303 177 V C 0.723 176.934 176.094 0.195 0.000 1.046 177 V CA -0.112 62.325 62.300 0.228 0.000 1.126 177 V CB 0.129 32.097 31.823 0.242 0.000 0.934 177 V HN 0.662 nan 8.190 nan 0.000 0.487 178 L N 2.673 124.044 121.223 0.248 0.000 2.334 178 L HA 0.856 5.196 4.340 -0.000 0.000 0.273 178 L C 0.398 177.405 176.870 0.228 0.000 1.013 178 L CA -0.537 54.415 54.840 0.187 0.000 0.816 178 L CB 1.791 43.932 42.059 0.137 0.000 1.278 178 L HN 0.650 nan 8.230 nan 0.000 0.431 179 S N 2.014 117.795 115.700 0.134 0.000 2.608 179 S HA 0.300 4.769 4.470 -0.000 0.000 0.261 179 S C 1.041 175.705 174.600 0.106 0.000 1.314 179 S CA -0.600 57.669 58.200 0.115 0.000 0.992 179 S CB 0.824 64.061 63.200 0.061 0.000 0.935 179 S HN 0.770 nan 8.310 nan 0.000 0.564 180 L N 1.041 122.322 121.223 0.098 0.000 2.131 180 L HA -0.089 4.250 4.340 -0.000 0.000 0.210 180 L C 2.768 179.679 176.870 0.069 0.000 1.092 180 L CA 1.168 56.037 54.840 0.048 0.000 0.759 180 L CB -0.700 41.451 42.059 0.154 0.000 0.903 180 L HN 0.766 nan 8.230 nan 0.000 0.435 181 N N -0.162 118.589 118.700 0.084 0.000 2.459 181 N HA -0.163 4.577 4.740 -0.000 0.000 0.181 181 N C 1.188 176.731 175.510 0.055 0.000 1.046 181 N CA 0.939 54.040 53.050 0.085 0.000 0.904 181 N CB 0.100 38.629 38.487 0.069 0.000 0.964 181 N HN 0.389 nan 8.380 nan 0.000 0.444 182 D N 0.349 120.769 120.400 0.034 0.000 2.183 182 D HA -0.008 4.631 4.640 -0.000 0.000 0.205 182 D C 2.071 178.364 176.300 -0.012 0.000 0.962 182 D CA 0.243 54.260 54.000 0.029 0.000 0.849 182 D CB 0.289 41.117 40.800 0.048 0.000 0.978 182 D HN 0.291 nan 8.370 nan 0.000 0.488 183 L N 1.206 122.349 121.223 -0.134 0.000 2.017 183 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 183 L C 2.632 179.299 176.870 -0.339 0.000 1.073 183 L CA 1.090 55.689 54.840 -0.401 0.000 0.745 183 L CB -0.545 40.992 42.059 -0.870 0.000 0.894 183 L HN -0.030 nan 8.230 nan 0.000 0.432 184 K N 0.872 121.165 120.400 -0.178 0.000 2.015 184 K HA -0.281 4.039 4.320 -0.000 0.000 0.220 184 K C 1.928 178.613 176.600 0.141 0.000 1.055 184 K CA 2.287 58.646 56.287 0.120 0.000 0.951 184 K CB -0.178 32.458 32.500 0.227 0.000 0.725 184 K HN 0.338 nan 8.250 nan 0.000 0.449 185 E N 0.342 120.606 120.200 0.108 0.000 2.070 185 E HA -0.241 4.109 4.350 -0.000 0.000 0.197 185 E C 2.069 178.747 176.600 0.130 0.000 1.004 185 E CA 1.487 57.949 56.400 0.103 0.000 0.805 185 E CB -0.120 29.621 29.700 0.068 0.000 0.744 185 E HN 0.324 nan 8.360 nan 0.000 0.451 186 K N -0.328 120.179 120.400 0.178 0.000 2.520 186 K HA -0.143 4.177 4.320 -0.000 0.000 0.197 186 K C 0.671 177.336 176.600 0.107 0.000 1.043 186 K CA 0.981 57.362 56.287 0.157 0.000 0.944 186 K CB 0.144 32.772 32.500 0.212 0.000 0.770 186 K HN 0.056 nan 8.250 nan 0.000 0.480 187 F N -0.922 118.994 119.950 -0.056 0.000 2.819 187 F HA 0.156 4.683 4.527 -0.000 0.000 0.325 187 F C 1.647 177.455 175.800 0.014 0.000 1.041 187 F CA -0.313 57.669 58.000 -0.030 0.000 1.184 187 F CB -0.325 38.648 39.000 -0.046 0.000 1.019 187 F HN -0.055 nan 8.300 nan 0.000 0.590 188 E N 1.983 122.318 120.200 0.225 0.000 2.246 188 E HA -0.282 4.068 4.350 -0.000 0.000 0.232 188 E C 0.042 176.703 176.600 0.102 0.000 1.087 188 E CA 2.004 58.491 56.400 0.145 0.000 0.964 188 E CB -0.276 29.485 29.700 0.103 0.000 0.827 188 E HN 0.448 nan 8.360 nan 0.000 0.476 189 E N -0.078 120.163 120.200 0.068 0.000 2.173 189 E HA 0.367 4.717 4.350 -0.000 0.000 0.249 189 E C -1.104 175.505 176.600 0.015 0.000 0.923 189 E CA -0.235 56.188 56.400 0.038 0.000 0.754 189 E CB 1.418 31.130 29.700 0.020 0.000 1.177 189 E HN 0.066 nan 8.360 nan 0.000 0.430 190 T N -0.149 114.422 114.554 0.029 0.000 2.733 190 T HA 0.236 4.586 4.350 -0.000 0.000 0.312 190 T C 0.388 175.106 174.700 0.030 0.000 1.590 190 T CA -0.522 61.578 62.100 -0.000 0.000 1.005 190 T CB 1.164 69.999 68.868 -0.055 0.000 1.528 190 T HN 0.265 nan 8.240 nan 0.000 0.496 191 A N 0.501 123.329 122.820 0.013 0.000 2.239 191 A HA 0.421 4.741 4.320 -0.000 0.000 0.209 191 A C 0.739 178.362 177.584 0.064 0.000 1.171 191 A CA 0.521 52.577 52.037 0.031 0.000 0.768 191 A CB -0.343 18.665 19.000 0.014 0.000 0.790 191 A HN 0.550 nan 8.150 nan 0.000 0.478 192 V N 0.942 120.911 119.914 0.092 0.000 2.465 192 V HA 0.318 4.437 4.120 -0.000 0.000 0.279 192 V C 0.240 176.472 176.094 0.229 0.000 1.045 192 V CA -0.296 62.114 62.300 0.183 0.000 0.938 192 V CB 1.256 33.248 31.823 0.282 0.000 0.986 192 V HN 0.271 nan 8.190 nan 0.000 0.467 193 T N 5.778 120.453 114.554 0.201 0.000 2.867 193 T HA 0.611 4.961 4.350 -0.000 0.000 0.282 193 T C -0.870 173.966 174.700 0.227 0.000 1.000 193 T CA -0.112 62.094 62.100 0.176 0.000 1.042 193 T CB 1.014 69.948 68.868 0.110 0.000 0.973 193 T HN 0.470 nan 8.240 nan 0.000 0.465 194 F N 2.653 122.595 119.950 -0.013 0.000 2.565 194 F HA 0.667 5.194 4.527 -0.000 0.000 0.313 194 F C -0.702 175.024 175.800 -0.123 0.000 1.091 194 F CA -1.507 56.445 58.000 -0.081 0.000 0.915 194 F CB 1.563 40.465 39.000 -0.163 0.000 1.208 194 F HN 0.395 nan 8.300 nan 0.000 0.453 195 K N 7.308 127.215 120.400 -0.822 0.000 2.740 195 K HA 0.453 4.773 4.320 -0.000 0.000 0.246 195 K C -3.118 172.784 176.600 -1.163 0.000 1.021 195 K CA -1.733 53.977 56.287 -0.961 0.000 1.021 195 K CB 1.772 33.837 32.500 -0.724 0.000 1.233 195 K HN 0.301 nan 8.250 nan 0.000 0.497 196 P HA 0.119 nan 4.420 nan 0.000 0.271 196 P C -1.227 175.709 177.300 -0.608 0.000 1.218 196 P CA 0.009 62.780 63.100 -0.549 0.000 0.780 196 P CB 0.365 31.877 31.700 -0.313 0.000 0.901 197 Y N -0.067 120.226 120.300 -0.012 0.000 2.587 197 Y HA 0.396 4.946 4.550 -0.000 0.000 0.337 197 Y C 1.677 177.650 175.900 0.122 0.000 1.065 197 Y CA -0.012 58.061 58.100 -0.046 0.000 1.126 197 Y CB 1.501 39.998 38.460 0.062 0.000 1.279 197 Y HN 0.516 nan 8.280 nan 0.000 0.489 198 H N -1.362 117.824 119.070 0.194 0.000 2.274 198 H HA 0.153 4.708 4.556 -0.000 0.000 0.271 198 H C 0.089 175.472 175.328 0.092 0.000 0.945 198 H CA 0.114 56.225 56.048 0.105 0.000 1.200 198 H CB 0.778 30.580 29.762 0.065 0.000 1.456 198 H HN 0.406 nan 8.280 nan 0.000 0.536 199 S N 1.154 116.994 115.700 0.234 0.000 2.457 199 S HA 0.076 4.546 4.470 -0.000 0.000 0.289 199 S C 1.296 175.945 174.600 0.082 0.000 1.163 199 S CA -0.500 57.776 58.200 0.127 0.000 1.078 199 S CB 0.730 63.992 63.200 0.104 0.000 0.987 199 S HN 0.345 nan 8.310 nan 0.000 0.482 200 I N 6.220 126.799 120.570 0.016 0.000 2.147 200 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 200 I C 2.076 178.151 176.117 -0.071 0.000 1.059 200 I CA 2.462 63.712 61.300 -0.083 0.000 1.320 200 I CB -1.173 36.722 38.000 -0.175 0.000 1.021 200 I HN 0.827 nan 8.210 nan 0.000 0.415 201 T N 0.879 115.429 114.554 -0.007 0.000 2.653 201 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 201 T C 1.613 176.342 174.700 0.047 0.000 1.035 201 T CA 1.923 64.051 62.100 0.047 0.000 1.154 201 T CB -0.618 68.278 68.868 0.046 0.000 0.862 201 T HN 0.522 nan 8.240 nan 0.000 0.441 202 D N -0.230 120.196 120.400 0.044 0.000 2.104 202 D HA -0.105 4.535 4.640 -0.000 0.000 0.194 202 D C 1.791 177.907 176.300 -0.308 0.000 0.994 202 D CA 1.212 55.230 54.000 0.029 0.000 0.830 202 D CB -0.407 40.542 40.800 0.248 0.000 0.959 202 D HN 0.419 nan 8.370 nan 0.000 0.452 203 Y N 1.552 121.519 120.300 -0.554 0.000 2.034 203 Y HA -0.266 4.283 4.550 -0.000 0.000 0.269 203 Y C 2.491 178.292 175.900 -0.165 0.000 1.125 203 Y CA 1.959 59.652 58.100 -0.678 0.000 1.097 203 Y CB -0.956 37.294 38.460 -0.351 0.000 0.978 203 Y HN 0.107 nan 8.280 nan 0.000 0.480 204 H N -1.213 117.823 119.070 -0.056 0.000 2.314 204 H HA -0.317 4.239 4.556 -0.000 0.000 0.288 204 H C 2.565 177.823 175.328 -0.116 0.000 1.091 204 H CA 1.636 57.621 56.048 -0.105 0.000 1.155 204 H CB -0.728 29.006 29.762 -0.046 0.000 1.362 204 H HN 0.406 nan 8.280 nan 0.000 0.530 205 S N -0.107 115.654 115.700 0.101 0.000 2.400 205 S HA -0.273 4.197 4.470 -0.000 0.000 0.234 205 S C 1.932 176.596 174.600 0.106 0.000 1.049 205 S CA 1.738 59.999 58.200 0.102 0.000 1.039 205 S CB -0.574 62.682 63.200 0.093 0.000 0.856 205 S HN 0.404 nan 8.310 nan 0.000 0.465 206 F N 1.651 121.529 119.950 -0.119 0.000 2.075 206 F HA -0.069 4.458 4.527 -0.000 0.000 0.297 206 F C 2.116 177.829 175.800 -0.145 0.000 1.113 206 F CA 2.036 59.956 58.000 -0.133 0.000 1.218 206 F CB -0.654 38.205 39.000 -0.235 0.000 0.984 206 F HN 0.217 nan 8.300 nan 0.000 0.472 207 M N -0.845 118.521 119.600 -0.389 0.000 2.108 207 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 207 M C 2.233 178.344 176.300 -0.316 0.000 1.066 207 M CA 2.047 57.086 55.300 -0.435 0.000 1.107 207 M CB -0.880 31.570 32.600 -0.251 0.000 1.356 207 M HN 0.347 nan 8.290 nan 0.000 0.406 208 F N 1.765 121.538 119.950 -0.294 0.000 2.134 208 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 208 F C 1.723 177.390 175.800 -0.221 0.000 1.097 208 F CA 1.774 59.630 58.000 -0.239 0.000 1.264 208 F CB -0.481 38.391 39.000 -0.213 0.000 1.001 208 F HN 0.106 nan 8.300 nan 0.000 0.479 209 D N 0.618 120.735 120.400 -0.472 0.000 2.182 209 D HA -0.139 4.501 4.640 -0.000 0.000 0.201 209 D C 1.832 177.836 176.300 -0.493 0.000 0.986 209 D CA 1.426 55.133 54.000 -0.490 0.000 0.847 209 D CB -0.288 40.388 40.800 -0.206 0.000 0.942 209 D HN 0.355 nan 8.370 nan 0.000 0.467 210 L N -0.840 120.072 121.223 -0.518 0.000 2.741 210 L HA 0.293 4.633 4.340 -0.000 0.000 0.237 210 L C 1.079 177.721 176.870 -0.380 0.000 1.178 210 L CA -0.060 54.520 54.840 -0.433 0.000 0.973 210 L CB 0.111 41.864 42.059 -0.509 0.000 1.255 210 L HN 0.046 nan 8.230 nan 0.000 0.498 211 G N 0.763 109.306 108.800 -0.429 0.000 2.221 211 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.265 211 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.265 211 G C 0.452 175.211 174.900 -0.236 0.000 1.041 211 G CA 0.389 45.295 45.100 -0.323 0.000 0.807 211 G HN 0.319 nan 8.290 nan 0.000 0.502 212 I N -0.547 119.887 120.570 -0.227 0.000 3.035 212 I HA 0.305 4.475 4.170 -0.000 0.000 0.271 212 I C 1.393 177.504 176.117 -0.009 0.000 1.190 212 I CA 0.680 61.885 61.300 -0.158 0.000 1.472 212 I CB 0.056 37.977 38.000 -0.132 0.000 1.116 212 I HN 0.256 nan 8.210 nan 0.000 0.443 213 L N 2.331 123.546 121.223 -0.014 0.000 2.322 213 L HA 0.347 4.687 4.340 -0.000 0.000 0.281 213 L C -1.441 175.503 176.870 0.124 0.000 1.014 213 L CA -1.452 53.386 54.840 -0.002 0.000 0.815 213 L CB 1.715 43.681 42.059 -0.153 0.000 1.247 213 L HN -0.127 nan 8.230 nan 0.000 0.421 214 P HA -0.087 nan 4.420 nan 0.000 0.217 214 P C 0.204 177.541 177.300 0.062 0.000 1.154 214 P CA 0.945 64.146 63.100 0.169 0.000 0.841 214 P CB 0.574 32.427 31.700 0.255 0.000 0.788 215 K N 0.016 120.299 120.400 -0.196 0.000 2.090 215 K HA 0.229 4.549 4.320 -0.000 0.000 0.249 215 K C 0.185 176.342 176.600 -0.738 0.000 0.995 215 K CA -0.775 55.199 56.287 -0.522 0.000 0.914 215 K CB 0.888 32.823 32.500 -0.942 0.000 1.057 215 K HN -0.305 nan 8.250 nan 0.000 0.462 216 R N 3.142 123.170 120.500 -0.786 0.000 2.248 216 R HA 0.149 4.489 4.340 -0.000 0.000 0.337 216 R C -0.766 175.188 176.300 -0.576 0.000 1.085 216 R CA -0.413 55.193 56.100 -0.823 0.000 0.934 216 R CB -0.292 29.624 30.300 -0.640 0.000 1.034 216 R HN 0.385 nan 8.270 nan 0.000 0.465 217 L N 6.188 127.098 121.223 -0.522 0.000 2.466 217 L HA 0.243 4.582 4.340 -0.000 0.000 0.248 217 L C 1.445 178.222 176.870 -0.156 0.000 1.240 217 L CA 0.287 54.909 54.840 -0.363 0.000 1.180 217 L CB 0.012 41.745 42.059 -0.543 0.000 1.413 217 L HN 0.369 nan 8.230 nan 0.000 0.406 218 R N -0.544 119.853 120.500 -0.173 0.000 1.991 218 R HA 0.195 4.535 4.340 -0.000 0.000 0.205 218 R C 0.918 177.185 176.300 -0.054 0.000 1.356 218 R CA 0.078 56.119 56.100 -0.100 0.000 1.066 218 R CB -0.503 29.724 30.300 -0.121 0.000 0.854 218 R HN 0.376 nan 8.270 nan 0.000 0.487 219 S N 0.138 115.795 115.700 -0.070 0.000 2.584 219 S HA 0.006 4.476 4.470 -0.000 0.000 0.270 219 S C 1.071 175.652 174.600 -0.031 0.000 1.346 219 S CA -0.464 57.709 58.200 -0.045 0.000 1.018 219 S CB 1.020 64.187 63.200 -0.055 0.000 0.899 219 S HN 0.308 nan 8.310 nan 0.000 0.542 220 S N 2.434 118.127 115.700 -0.011 0.000 2.402 220 S HA -0.081 4.389 4.470 -0.000 0.000 0.229 220 S C 2.130 176.730 174.600 -0.001 0.000 1.021 220 S CA 1.144 59.348 58.200 0.007 0.000 0.974 220 S CB -0.457 62.747 63.200 0.008 0.000 0.800 220 S HN 0.783 nan 8.310 nan 0.000 0.484 221 S N 1.601 117.289 115.700 -0.019 0.000 2.419 221 S HA -0.184 4.285 4.470 -0.000 0.000 0.235 221 S C 1.203 175.777 174.600 -0.043 0.000 1.019 221 S CA 1.524 59.709 58.200 -0.024 0.000 0.982 221 S CB -0.492 62.688 63.200 -0.033 0.000 0.789 221 S HN 0.464 nan 8.310 nan 0.000 0.490 222 D N 0.810 121.164 120.400 -0.077 0.000 2.097 222 D HA -0.028 4.612 4.640 -0.000 0.000 0.195 222 D C 2.221 178.478 176.300 -0.072 0.000 0.989 222 D CA 1.040 54.954 54.000 -0.143 0.000 0.827 222 D CB -0.229 40.446 40.800 -0.209 0.000 0.966 222 D HN 0.310 nan 8.370 nan 0.000 0.456 223 R N 0.214 120.718 120.500 0.007 0.000 2.133 223 R HA -0.181 4.159 4.340 -0.000 0.000 0.247 223 R C 1.923 178.343 176.300 0.200 0.000 1.151 223 R CA 1.359 57.542 56.100 0.139 0.000 0.971 223 R CB -0.317 30.093 30.300 0.185 0.000 0.866 223 R HN 0.160 nan 8.270 nan 0.000 0.447 224 N N 0.377 119.149 118.700 0.118 0.000 2.025 224 N HA -0.176 4.564 4.740 -0.000 0.000 0.194 224 N C 1.186 176.835 175.510 0.233 0.000 1.044 224 N CA 1.733 54.866 53.050 0.138 0.000 0.851 224 N CB 0.102 38.635 38.487 0.076 0.000 1.036 224 N HN 0.117 nan 8.380 nan 0.000 0.422 225 K N -0.483 120.028 120.400 0.183 0.000 2.015 225 K HA -0.227 4.092 4.320 -0.000 0.000 0.216 225 K C 1.921 178.820 176.600 0.498 0.000 1.052 225 K CA 1.669 58.148 56.287 0.320 0.000 0.937 225 K CB -0.597 31.844 32.500 -0.100 0.000 0.719 225 K HN 0.168 nan 8.250 nan 0.000 0.446 226 F N 1.193 121.239 119.950 0.159 0.000 2.000 226 F HA -0.336 4.191 4.527 -0.000 0.000 0.296 226 F C 2.426 178.365 175.800 0.231 0.000 1.159 226 F CA 1.698 59.806 58.000 0.179 0.000 1.183 226 F CB -1.014 37.954 39.000 -0.053 0.000 0.959 226 F HN 0.082 nan 8.300 nan 0.000 0.490 227 Y N 1.217 121.589 120.300 0.119 0.000 2.096 227 Y HA -0.402 4.148 4.550 -0.000 0.000 0.278 227 Y C 2.566 178.427 175.900 -0.065 0.000 1.192 227 Y CA 2.753 60.843 58.100 -0.016 0.000 1.143 227 Y CB -0.851 37.657 38.460 0.081 0.000 0.963 227 Y HN 0.240 nan 8.280 nan 0.000 0.505 228 K N 0.175 120.767 120.400 0.320 0.000 2.147 228 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 228 K C 2.207 178.816 176.600 0.015 0.000 1.049 228 K CA 1.368 57.778 56.287 0.205 0.000 0.936 228 K CB -0.471 32.158 32.500 0.214 0.000 0.722 228 K HN 0.572 nan 8.250 nan 0.000 0.446 229 L N 0.297 121.519 121.223 -0.001 0.000 2.005 229 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 229 L C 1.874 178.625 176.870 -0.197 0.000 1.072 229 L CA 1.148 55.936 54.840 -0.085 0.000 0.744 229 L CB -0.279 41.768 42.059 -0.021 0.000 0.895 229 L HN 0.174 nan 8.230 nan 0.000 0.433 230 I N 0.574 120.921 120.570 -0.370 0.000 2.151 230 I HA -0.344 3.825 4.170 -0.000 0.000 0.243 230 I C 2.554 178.536 176.117 -0.225 0.000 1.080 230 I CA 2.061 63.150 61.300 -0.351 0.000 1.339 230 I CB -1.508 36.160 38.000 -0.554 0.000 1.039 230 I HN 0.566 nan 8.210 nan 0.000 0.409 231 E N 1.441 121.442 120.200 -0.332 0.000 2.077 231 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 231 E C 2.283 178.913 176.600 0.050 0.000 0.989 231 E CA 1.548 57.860 56.400 -0.145 0.000 0.800 231 E CB -0.027 29.619 29.700 -0.091 0.000 0.746 231 E HN 0.403 nan 8.360 nan 0.000 0.452 232 A N 1.333 124.138 122.820 -0.024 0.000 1.883 232 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 232 A C 2.460 180.060 177.584 0.027 0.000 1.186 232 A CA 2.395 54.428 52.037 -0.008 0.000 0.624 232 A CB -1.069 17.889 19.000 -0.070 0.000 0.822 232 A HN 0.523 nan 8.150 nan 0.000 0.444 233 S N 0.095 115.794 115.700 -0.001 0.000 2.383 233 S HA -0.161 4.309 4.470 -0.000 0.000 0.229 233 S C 1.840 176.495 174.600 0.091 0.000 1.030 233 S CA 1.459 59.670 58.200 0.018 0.000 1.002 233 S CB -0.852 62.342 63.200 -0.011 0.000 0.829 233 S HN 0.454 nan 8.310 nan 0.000 0.467 234 L N -0.132 121.162 121.223 0.118 0.000 1.899 234 L HA -0.101 4.239 4.340 -0.000 0.000 0.223 234 L C 2.532 179.411 176.870 0.016 0.000 1.088 234 L CA 2.000 56.856 54.840 0.028 0.000 0.788 234 L CB -1.143 40.852 42.059 -0.107 0.000 0.889 234 L HN 0.274 nan 8.230 nan 0.000 0.431 235 Y N 0.754 121.045 120.300 -0.015 0.000 2.617 235 Y HA -0.052 4.498 4.550 -0.000 0.000 0.284 235 Y C 1.548 177.447 175.900 -0.003 0.000 1.162 235 Y CA 0.547 58.644 58.100 -0.004 0.000 1.399 235 Y CB -1.704 36.750 38.460 -0.010 0.000 0.962 235 Y HN 0.450 nan 8.280 nan 0.000 0.576 236 G N -0.578 108.301 108.800 0.131 0.000 2.967 236 G HA2 0.271 4.231 3.960 -0.000 0.000 0.684 236 G HA3 0.271 4.231 3.960 -0.000 0.000 0.684 236 G C 0.243 175.168 174.900 0.043 0.000 1.596 236 G CA -0.087 45.051 45.100 0.063 0.000 1.102 236 G HN 1.270 nan 8.290 nan 0.000 0.596 237 G N -0.514 108.285 108.800 -0.002 0.000 2.409 237 G HA2 0.232 4.192 3.960 -0.000 0.000 0.421 237 G HA3 0.232 4.192 3.960 -0.000 0.000 0.421 237 G C -0.017 174.855 174.900 -0.046 0.000 1.259 237 G CA -0.247 44.840 45.100 -0.021 0.000 1.011 237 G HN 1.677 nan 8.290 nan 0.000 0.497 238 I N 1.977 122.519 120.570 -0.047 0.000 2.268 238 I HA 0.230 4.400 4.170 -0.000 0.000 0.298 238 I C 1.447 177.525 176.117 -0.066 0.000 1.185 238 I CA 0.313 61.577 61.300 -0.061 0.000 1.548 238 I CB 0.393 38.364 38.000 -0.048 0.000 1.492 238 I HN 0.518 nan 8.210 nan 0.000 0.711 239 S N 3.084 118.735 115.700 -0.080 0.000 3.184 239 S HA -0.115 4.355 4.470 -0.000 0.000 0.376 239 S C 1.587 176.129 174.600 -0.097 0.000 1.163 239 S CA 0.412 58.558 58.200 -0.091 0.000 1.314 239 S CB 0.263 63.394 63.200 -0.115 0.000 0.962 239 S HN 0.702 nan 8.310 nan 0.000 0.543 240 S N 4.153 119.808 115.700 -0.075 0.000 2.359 240 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 240 S C 1.835 176.392 174.600 -0.072 0.000 1.039 240 S CA 1.860 60.022 58.200 -0.064 0.000 1.042 240 S CB -0.437 62.734 63.200 -0.048 0.000 0.915 240 S HN 0.720 nan 8.310 nan 0.000 0.439 241 V N 2.071 121.942 119.914 -0.071 0.000 2.546 241 V HA -0.144 3.976 4.120 -0.000 0.000 0.254 241 V C 1.648 177.674 176.094 -0.113 0.000 1.076 241 V CA 1.611 63.877 62.300 -0.057 0.000 1.087 241 V CB -0.904 30.901 31.823 -0.029 0.000 0.674 241 V HN 0.577 nan 8.190 nan 0.000 0.470 242 I N -0.454 119.990 120.570 -0.210 0.000 3.864 242 I HA 0.091 4.260 4.170 -0.000 0.000 0.326 242 I C 1.296 177.250 176.117 -0.270 0.000 1.444 242 I CA 0.244 61.295 61.300 -0.416 0.000 1.195 242 I CB -0.253 37.417 38.000 -0.550 0.000 1.124 242 I HN 0.165 nan 8.210 nan 0.000 0.407 243 T N -0.551 113.916 114.554 -0.144 0.000 2.987 243 T HA 0.107 4.457 4.350 -0.000 0.000 0.248 243 T C 1.803 176.477 174.700 -0.042 0.000 0.997 243 T CA 0.164 62.211 62.100 -0.089 0.000 1.013 243 T CB 0.387 69.214 68.868 -0.068 0.000 1.077 243 T HN 0.219 nan 8.240 nan 0.000 0.483 244 K N 1.710 122.095 120.400 -0.026 0.000 2.076 244 K HA 0.143 4.463 4.320 -0.000 0.000 0.204 244 K C 1.326 177.947 176.600 0.036 0.000 1.051 244 K CA 0.963 57.254 56.287 0.007 0.000 0.949 244 K CB 0.130 32.638 32.500 0.012 0.000 0.726 244 K HN 0.031 nan 8.250 nan 0.000 0.443 245 S N 1.366 117.105 115.700 0.064 0.000 2.552 245 S HA 0.161 4.631 4.470 -0.000 0.000 0.246 245 S C 1.076 175.782 174.600 0.177 0.000 1.019 245 S CA -0.272 58.014 58.200 0.144 0.000 1.045 245 S CB -0.028 63.319 63.200 0.245 0.000 0.784 245 S HN 0.202 nan 8.310 nan 0.000 0.453 246 L N 1.919 123.181 121.223 0.065 0.000 2.211 246 L HA -0.265 4.075 4.340 -0.000 0.000 0.216 246 L C 2.025 178.961 176.870 0.110 0.000 1.092 246 L CA 1.598 56.459 54.840 0.034 0.000 0.767 246 L CB 0.045 42.099 42.059 -0.009 0.000 0.894 246 L HN 0.345 nan 8.230 nan 0.000 0.437 247 R N -2.301 118.276 120.500 0.128 0.000 2.300 247 R HA 0.076 4.416 4.340 -0.000 0.000 0.199 247 R C 1.198 177.597 176.300 0.165 0.000 0.920 247 R CA 0.707 56.886 56.100 0.132 0.000 1.046 247 R CB -0.648 29.715 30.300 0.104 0.000 0.984 247 R HN 0.184 nan 8.270 nan 0.000 0.493 248 D N -0.502 120.038 120.400 0.233 0.000 2.347 248 D HA -0.024 4.616 4.640 -0.000 0.000 0.215 248 D C 0.440 176.810 176.300 0.117 0.000 0.976 248 D CA 0.926 55.024 54.000 0.164 0.000 0.884 248 D CB 0.138 41.032 40.800 0.157 0.000 0.915 248 D HN 0.277 nan 8.370 nan 0.000 0.526 249 Y N -0.865 119.509 120.300 0.123 0.000 2.558 249 Y HA 0.304 4.853 4.550 -0.000 0.000 0.273 249 Y C 1.665 177.601 175.900 0.059 0.000 1.100 249 Y CA 0.186 58.394 58.100 0.179 0.000 1.276 249 Y CB 0.130 38.624 38.460 0.056 0.000 1.196 249 Y HN -0.114 nan 8.280 nan 0.000 0.527 250 L N -0.242 121.070 121.223 0.148 0.000 2.567 250 L HA 0.149 4.489 4.340 -0.000 0.000 0.225 250 L C -0.800 176.089 176.870 0.031 0.000 1.119 250 L CA 0.226 55.085 54.840 0.031 0.000 0.871 250 L CB 0.130 42.192 42.059 0.006 0.000 1.036 250 L HN -0.010 nan 8.230 nan 0.000 0.459 251 L N 0.436 121.691 121.223 0.054 0.000 2.325 251 L HA 0.452 4.792 4.340 -0.000 0.000 0.281 251 L C -2.385 174.452 176.870 -0.055 0.000 1.004 251 L CA -1.345 53.477 54.840 -0.029 0.000 0.823 251 L CB 1.056 43.124 42.059 0.015 0.000 1.236 251 L HN -0.282 nan 8.230 nan 0.000 0.415 252 P HA 0.192 nan 4.420 nan 0.000 0.281 252 P C -0.792 176.421 177.300 -0.145 0.000 1.286 252 P CA -0.298 62.736 63.100 -0.110 0.000 0.772 252 P CB 0.491 32.118 31.700 -0.121 0.000 0.862 253 E N 3.234 123.389 120.200 -0.076 0.000 1.996 253 E HA 0.085 4.435 4.350 -0.000 0.000 0.280 253 E C -0.103 176.467 176.600 -0.049 0.000 1.092 253 E CA -0.364 56.007 56.400 -0.048 0.000 0.862 253 E CB 0.122 29.815 29.700 -0.012 0.000 1.066 253 E HN 0.409 nan 8.360 nan 0.000 0.396 254 N N 2.081 120.747 118.700 -0.057 0.000 2.386 254 N HA -0.060 4.680 4.740 -0.000 0.000 0.273 254 N C 0.352 175.849 175.510 -0.021 0.000 1.331 254 N CA 0.168 53.191 53.050 -0.044 0.000 0.891 254 N CB 0.826 39.288 38.487 -0.042 0.000 1.139 254 N HN 0.275 nan 8.380 nan 0.000 0.487 255 S N 1.733 117.419 115.700 -0.024 0.000 2.603 255 S HA -0.023 4.447 4.470 -0.000 0.000 0.229 255 S C 1.860 176.459 174.600 -0.003 0.000 0.972 255 S CA 0.476 58.668 58.200 -0.013 0.000 0.935 255 S CB 0.136 63.323 63.200 -0.022 0.000 0.769 255 S HN 0.779 nan 8.310 nan 0.000 0.536 256 G N 1.138 109.935 108.800 -0.005 0.000 2.411 256 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.213 256 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.213 256 G C 1.328 176.239 174.900 0.020 0.000 1.166 256 G CA 0.399 45.501 45.100 0.003 0.000 0.802 256 G HN 0.382 nan 8.290 nan 0.000 0.533 257 V N 1.107 121.029 119.914 0.014 0.000 2.221 257 V HA -0.244 3.876 4.120 -0.000 0.000 0.244 257 V C 2.789 178.935 176.094 0.086 0.000 1.043 257 V CA 2.264 64.579 62.300 0.025 0.000 0.996 257 V CB -0.770 31.046 31.823 -0.013 0.000 0.636 257 V HN 0.280 nan 8.190 nan 0.000 0.454 258 R N -0.562 119.984 120.500 0.077 0.000 2.159 258 R HA -0.303 4.037 4.340 -0.000 0.000 0.249 258 R C 2.441 178.816 176.300 0.126 0.000 1.136 258 R CA 2.525 58.702 56.100 0.128 0.000 0.951 258 R CB -0.515 29.834 30.300 0.081 0.000 0.876 258 R HN 0.659 nan 8.270 nan 0.000 0.440 259 Q N -0.507 119.334 119.800 0.069 0.000 1.948 259 Q HA -0.166 4.174 4.340 -0.000 0.000 0.205 259 Q C 2.292 178.313 176.000 0.035 0.000 0.992 259 Q CA 1.784 57.611 55.803 0.040 0.000 0.849 259 Q CB -0.296 28.454 28.738 0.020 0.000 0.918 259 Q HN 0.421 nan 8.270 nan 0.000 0.421 260 A N 0.570 123.415 122.820 0.042 0.000 1.908 260 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 260 A C 1.911 179.518 177.584 0.038 0.000 1.181 260 A CA 1.510 53.564 52.037 0.029 0.000 0.627 260 A CB -0.904 18.115 19.000 0.032 0.000 0.818 260 A HN 0.469 nan 8.150 nan 0.000 0.445 261 F N 0.685 120.595 119.950 -0.066 0.000 2.026 261 F HA -0.236 4.291 4.527 -0.000 0.000 0.296 261 F C 2.465 178.205 175.800 -0.100 0.000 1.133 261 F CA 2.265 60.202 58.000 -0.105 0.000 1.188 261 F CB -0.954 37.981 39.000 -0.109 0.000 0.968 261 F HN 0.350 nan 8.300 nan 0.000 0.476 262 Q N 0.299 119.937 119.800 -0.270 0.000 2.012 262 Q HA -0.314 4.026 4.340 -0.000 0.000 0.211 262 Q C 2.041 177.856 176.000 -0.308 0.000 1.009 262 Q CA 2.250 57.850 55.803 -0.340 0.000 0.866 262 Q CB -0.758 27.929 28.738 -0.084 0.000 0.945 262 Q HN 0.508 nan 8.270 nan 0.000 0.414 263 D N 0.022 120.321 120.400 -0.168 0.000 2.191 263 D HA -0.231 4.409 4.640 -0.000 0.000 0.190 263 D C 1.841 178.046 176.300 -0.157 0.000 1.007 263 D CA 1.370 55.296 54.000 -0.124 0.000 0.865 263 D CB -0.236 40.520 40.800 -0.073 0.000 0.929 263 D HN 0.265 nan 8.370 nan 0.000 0.447 264 M N 0.620 120.097 119.600 -0.206 0.000 2.192 264 M HA -0.181 4.298 4.480 -0.000 0.000 0.256 264 M C 2.027 178.210 176.300 -0.195 0.000 1.076 264 M CA 1.175 56.358 55.300 -0.194 0.000 1.075 264 M CB -0.743 31.715 32.600 -0.237 0.000 1.368 264 M HN 0.073 nan 8.290 nan 0.000 0.406 265 E N -0.046 119.993 120.200 -0.268 0.000 2.072 265 E HA -0.052 4.297 4.350 -0.000 0.000 0.190 265 E C 1.912 178.456 176.600 -0.094 0.000 0.982 265 E CA 1.246 57.542 56.400 -0.174 0.000 0.803 265 E CB -0.001 29.579 29.700 -0.200 0.000 0.755 265 E HN 0.446 nan 8.360 nan 0.000 0.453 266 A N 0.835 123.598 122.820 -0.096 0.000 2.076 266 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 266 A C 2.243 179.801 177.584 -0.043 0.000 1.160 266 A CA 1.994 53.996 52.037 -0.057 0.000 0.653 266 A CB -0.357 18.611 19.000 -0.054 0.000 0.801 266 A HN 0.318 nan 8.150 nan 0.000 0.455 267 A N -0.561 122.228 122.820 -0.051 0.000 1.924 267 A HA 0.258 4.578 4.320 -0.000 0.000 0.211 267 A C 2.034 179.604 177.584 -0.024 0.000 1.198 267 A CA 0.759 52.775 52.037 -0.035 0.000 0.657 267 A CB -0.431 18.546 19.000 -0.038 0.000 0.852 267 A HN 0.401 nan 8.150 nan 0.000 0.454 268 L N -0.533 120.673 121.223 -0.028 0.000 2.013 268 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 268 L C 2.743 179.616 176.870 0.006 0.000 1.073 268 L CA 2.065 56.902 54.840 -0.004 0.000 0.753 268 L CB -0.630 41.433 42.059 0.007 0.000 0.890 268 L HN 0.446 nan 8.230 nan 0.000 0.432 269 R N 0.439 120.939 120.500 0.001 0.000 2.115 269 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 269 R C 0.943 177.245 176.300 0.004 0.000 1.133 269 R CA 1.454 57.557 56.100 0.006 0.000 0.935 269 R CB -0.131 30.169 30.300 0.001 0.000 0.853 269 R HN 0.455 nan 8.270 nan 0.000 0.433 1265 A N 2.652 125.658 122.820 0.310 0.000 2.817 1265 A HA -0.168 4.151 4.320 -0.000 0.000 0.206 1265 A C 1.400 179.207 177.584 0.372 0.000 1.089 1265 A CA 2.053 54.300 52.037 0.350 0.000 1.047 1265 A CB -1.196 17.959 19.000 0.259 0.000 0.732 1265 A HN 0.745 nan 8.150 nan 0.000 0.553 1266 E N -0.406 119.928 120.200 0.222 0.000 2.394 1266 E HA 0.183 4.533 4.350 -0.000 0.000 0.191 1266 E C 1.202 177.867 176.600 0.108 0.000 1.044 1266 E CA 0.309 56.812 56.400 0.172 0.000 0.939 1266 E CB 0.165 29.919 29.700 0.091 0.000 1.089 1266 E HN 0.439 nan 8.360 nan 0.000 0.456 1267 S N -0.160 115.604 115.700 0.107 0.000 2.515 1267 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 1267 S C 1.718 176.328 174.600 0.018 0.000 0.987 1267 S CA 0.428 58.657 58.200 0.048 0.000 0.936 1267 S CB 0.171 63.396 63.200 0.042 0.000 0.766 1267 S HN 0.145 nan 8.310 nan 0.000 0.528 1268 V N 1.531 121.464 119.914 0.031 0.000 2.379 1268 V HA 0.030 4.150 4.120 -0.000 0.000 0.243 1268 V C 2.811 178.865 176.094 -0.067 0.000 1.035 1268 V CA 1.353 63.611 62.300 -0.071 0.000 1.035 1268 V CB -1.365 30.407 31.823 -0.084 0.000 0.673 1268 V HN 0.518 nan 8.190 nan 0.000 0.457 1269 A N 0.767 123.593 122.820 0.011 0.000 1.958 1269 A HA -0.337 3.982 4.320 -0.000 0.000 0.221 1269 A C 2.187 179.750 177.584 -0.035 0.000 1.178 1269 A CA 2.447 54.483 52.037 -0.002 0.000 0.642 1269 A CB -0.869 18.161 19.000 0.050 0.000 0.816 1269 A HN 0.591 nan 8.150 nan 0.000 0.453 1270 N N 0.058 118.745 118.700 -0.023 0.000 2.106 1270 N HA -0.127 4.612 4.740 -0.000 0.000 0.188 1270 N C 1.693 177.173 175.510 -0.049 0.000 1.029 1270 N CA 1.583 54.616 53.050 -0.028 0.000 0.848 1270 N CB -0.244 38.235 38.487 -0.014 0.000 1.007 1270 N HN 0.352 nan 8.380 nan 0.000 0.423 1271 I N 2.213 122.744 120.570 -0.065 0.000 2.118 1271 I HA -0.295 3.875 4.170 -0.000 0.000 0.241 1271 I C 2.454 178.509 176.117 -0.104 0.000 1.070 1271 I CA 0.878 62.130 61.300 -0.081 0.000 1.327 1271 I CB -1.289 36.644 38.000 -0.111 0.000 1.034 1271 I HN 0.181 nan 8.210 nan 0.000 0.405 1272 L N 0.065 121.185 121.223 -0.172 0.000 1.932 1272 L HA -0.231 4.108 4.340 -0.000 0.000 0.217 1272 L C 2.597 179.362 176.870 -0.175 0.000 1.077 1272 L CA 1.614 56.304 54.840 -0.250 0.000 0.765 1272 L CB -0.952 40.841 42.059 -0.442 0.000 0.888 1272 L HN 0.170 nan 8.230 nan 0.000 0.433 1273 R N 0.036 120.456 120.500 -0.134 0.000 2.355 1273 R HA -0.130 4.210 4.340 -0.000 0.000 0.219 1273 R C 2.042 178.313 176.300 -0.048 0.000 1.107 1273 R CA 0.828 56.878 56.100 -0.083 0.000 1.021 1273 R CB -0.042 30.230 30.300 -0.047 0.000 0.852 1273 R HN 0.444 nan 8.270 nan 0.000 0.475 1274 K N -1.342 119.035 120.400 -0.039 0.000 2.313 1274 K HA 0.075 4.395 4.320 -0.000 0.000 0.197 1274 K C 1.726 178.336 176.600 0.016 0.000 1.061 1274 K CA 0.713 56.993 56.287 -0.012 0.000 0.980 1274 K CB 0.486 32.977 32.500 -0.015 0.000 0.888 1274 K HN -0.005 nan 8.250 nan 0.000 0.502 1275 T N 1.948 116.517 114.554 0.024 0.000 2.857 1275 T HA 0.006 4.356 4.350 -0.000 0.000 0.266 1275 T C 1.864 176.722 174.700 0.263 0.000 1.048 1275 T CA 0.878 63.045 62.100 0.113 0.000 1.139 1275 T CB 0.002 68.946 68.868 0.127 0.000 0.874 1275 T HN 0.093 nan 8.240 nan 0.000 0.455 1276 I N 0.826 121.457 120.570 0.101 0.000 2.406 1276 I HA -0.115 4.055 4.170 -0.000 0.000 0.249 1276 I C 2.749 178.912 176.117 0.076 0.000 1.122 1276 I CA 0.932 62.237 61.300 0.009 0.000 1.431 1276 I CB -0.297 37.524 38.000 -0.299 0.000 1.087 1276 I HN 0.187 nan 8.210 nan 0.000 0.424 1277 Q N 1.550 121.369 119.800 0.031 0.000 2.061 1277 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 1277 Q C 2.112 178.140 176.000 0.047 0.000 0.984 1277 Q CA 1.863 57.680 55.803 0.023 0.000 0.846 1277 Q CB -0.202 28.540 28.738 0.006 0.000 0.902 1277 Q HN 0.224 nan 8.270 nan 0.000 0.421 1278 R N 0.460 120.997 120.500 0.063 0.000 2.127 1278 R HA -0.217 4.123 4.340 -0.000 0.000 0.228 1278 R C 2.105 178.441 176.300 0.059 0.000 1.125 1278 R CA 2.213 58.343 56.100 0.050 0.000 0.904 1278 R CB -0.931 29.394 30.300 0.043 0.000 0.831 1278 R HN 0.360 nan 8.270 nan 0.000 0.431 1279 E N 0.081 120.347 120.200 0.108 0.000 2.209 1279 E HA -0.246 4.103 4.350 -0.000 0.000 0.196 1279 E C 1.924 178.582 176.600 0.097 0.000 0.993 1279 E CA 1.717 58.167 56.400 0.084 0.000 0.819 1279 E CB -0.162 29.586 29.700 0.080 0.000 0.745 1279 E HN 0.558 nan 8.360 nan 0.000 0.477 1280 Q N -0.462 119.403 119.800 0.108 0.000 2.291 1280 Q HA -0.080 4.260 4.340 -0.000 0.000 0.205 1280 Q C 1.448 177.461 176.000 0.022 0.000 0.970 1280 Q CA 1.176 57.012 55.803 0.055 0.000 0.876 1280 Q CB 0.064 28.820 28.738 0.031 0.000 0.935 1280 Q HN 0.250 nan 8.270 nan 0.000 0.455 1281 N N -0.115 118.598 118.700 0.022 0.000 2.376 1281 N HA -0.081 4.659 4.740 -0.000 0.000 0.177 1281 N C 1.536 177.048 175.510 0.002 0.000 1.024 1281 N CA 0.533 53.587 53.050 0.007 0.000 0.893 1281 N CB 0.056 38.547 38.487 0.007 0.000 0.980 1281 N HN 0.116 nan 8.380 nan 0.000 0.439 1282 R N 1.603 122.106 120.500 0.006 0.000 2.070 1282 R HA 0.111 4.451 4.340 -0.000 0.000 0.232 1282 R C 2.174 178.469 176.300 -0.008 0.000 1.138 1282 R CA 1.099 57.196 56.100 -0.004 0.000 0.936 1282 R CB -0.711 29.583 30.300 -0.010 0.000 0.839 1282 R HN 0.120 nan 8.270 nan 0.000 0.429 1283 I N 0.671 121.239 120.570 -0.004 0.000 2.286 1283 I HA -0.247 3.922 4.170 -0.000 0.000 0.248 1283 I C 2.079 178.182 176.117 -0.023 0.000 1.115 1283 I CA 0.774 62.065 61.300 -0.015 0.000 1.392 1283 I CB -0.393 37.603 38.000 -0.007 0.000 1.065 1283 I HN 0.244 nan 8.210 nan 0.000 0.418 1284 L N 0.789 122.000 121.223 -0.019 0.000 2.051 1284 L HA -0.297 4.043 4.340 -0.000 0.000 0.214 1284 L C 2.393 179.250 176.870 -0.022 0.000 1.076 1284 L CA 2.012 56.836 54.840 -0.026 0.000 0.758 1284 L CB -0.645 41.403 42.059 -0.018 0.000 0.890 1284 L HN 0.281 nan 8.230 nan 0.000 0.433 1285 Q N -1.060 118.731 119.800 -0.015 0.000 2.089 1285 Q HA -0.039 4.301 4.340 -0.000 0.000 0.195 1285 Q C 2.325 178.319 176.000 -0.010 0.000 0.963 1285 Q CA 1.282 57.079 55.803 -0.010 0.000 0.834 1285 Q CB -0.184 28.551 28.738 -0.006 0.000 0.906 1285 Q HN 0.528 nan 8.270 nan 0.000 0.452 1286 L N 1.272 122.485 121.223 -0.016 0.000 2.137 1286 L HA -0.288 4.052 4.340 -0.000 0.000 0.213 1286 L C 1.752 178.613 176.870 -0.015 0.000 1.085 1286 L CA 1.227 56.056 54.840 -0.019 0.000 0.760 1286 L CB -0.712 41.329 42.059 -0.031 0.000 0.893 1286 L HN 0.270 nan 8.230 nan 0.000 0.434 1287 N N -0.109 118.580 118.700 -0.019 0.000 2.084 1287 N HA -0.199 4.541 4.740 -0.000 0.000 0.190 1287 N C 1.796 177.315 175.510 0.014 0.000 1.030 1287 N CA 1.154 54.197 53.050 -0.012 0.000 0.849 1287 N CB -0.246 38.216 38.487 -0.041 0.000 1.012 1287 N HN 0.386 nan 8.380 nan 0.000 0.423 1288 Q N -0.343 119.464 119.800 0.011 0.000 2.248 1288 Q HA -0.082 4.257 4.340 -0.000 0.000 0.208 1288 Q C 1.807 177.826 176.000 0.031 0.000 0.984 1288 Q CA 1.268 57.087 55.803 0.026 0.000 0.875 1288 Q CB -0.378 28.370 28.738 0.016 0.000 0.910 1288 Q HN 0.471 nan 8.270 nan 0.000 0.433 1289 G N 0.267 109.079 108.800 0.020 0.000 2.776 1289 G HA2 0.070 4.030 3.960 -0.000 0.000 0.209 1289 G HA3 0.070 4.030 3.960 -0.000 0.000 0.209 1289 G C 0.387 175.307 174.900 0.033 0.000 1.145 1289 G CA 0.141 45.254 45.100 0.021 0.000 0.791 1289 G HN 0.146 nan 8.290 nan 0.000 0.530 1290 L N -0.007 121.243 121.223 0.046 0.000 2.489 1290 L HA 0.360 4.700 4.340 -0.000 0.000 0.257 1290 L C 0.377 177.305 176.870 0.098 0.000 1.215 1290 L CA -0.195 54.685 54.840 0.066 0.000 0.915 1290 L CB 1.270 43.361 42.059 0.054 0.000 1.146 1290 L HN 0.068 nan 8.230 nan 0.000 0.494 1291 Q N -0.237 119.619 119.800 0.093 0.000 2.586 1291 Q HA 0.158 4.498 4.340 -0.000 0.000 0.243 1291 Q C 0.639 176.688 176.000 0.083 0.000 0.846 1291 Q CA 0.119 55.985 55.803 0.105 0.000 0.959 1291 Q CB 0.762 29.555 28.738 0.092 0.000 1.227 1291 Q HN 0.456 nan 8.270 nan 0.000 0.611 1292 N N 0.874 119.615 118.700 0.069 0.000 2.410 1292 N HA 0.198 4.938 4.740 -0.000 0.000 0.231 1292 N C -0.824 174.727 175.510 0.069 0.000 1.172 1292 N CA 0.179 53.261 53.050 0.054 0.000 0.849 1292 N CB 0.206 38.717 38.487 0.040 0.000 1.116 1292 N HN 0.168 nan 8.380 nan 0.000 0.485 1293 I N 0.787 121.420 120.570 0.106 0.000 2.371 1293 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 1293 I C -0.024 176.197 176.117 0.173 0.000 1.028 1293 I CA -0.642 60.764 61.300 0.177 0.000 1.345 1293 I CB 1.028 39.166 38.000 0.230 0.000 1.407 1293 I HN 0.038 nan 8.210 nan 0.000 0.501 1294 A N 7.610 130.503 122.820 0.122 0.000 2.466 1294 A HA 0.661 4.981 4.320 -0.000 0.000 0.291 1294 A C -1.135 176.406 177.584 -0.072 0.000 1.234 1294 A CA -0.280 51.787 52.037 0.051 0.000 0.752 1294 A CB 0.166 19.147 19.000 -0.033 0.000 1.153 1294 A HN 0.520 nan 8.150 nan 0.000 0.458 1295 F N 2.393 122.346 119.950 0.004 0.000 2.430 1295 F HA 0.542 5.069 4.527 -0.000 0.000 0.362 1295 F C 1.262 177.063 175.800 0.002 0.000 1.103 1295 F CA 0.516 58.521 58.000 0.008 0.000 1.045 1295 F CB 1.660 40.669 39.000 0.014 0.000 1.276 1295 F HN 1.034 nan 8.300 nan 0.000 0.444 1296 G N 2.542 111.394 108.800 0.086 0.000 3.729 1296 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.327 1296 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.327 1296 G C 1.089 176.013 174.900 0.041 0.000 1.293 1296 G CA 0.723 45.858 45.100 0.059 0.000 1.011 1296 G HN 0.431 nan 8.290 nan 0.000 0.673 1297 Q N -0.225 119.605 119.800 0.050 0.000 2.322 1297 Q HA 0.320 4.660 4.340 -0.000 0.000 0.250 1297 Q C 1.270 177.283 176.000 0.021 0.000 0.853 1297 Q CA 0.591 56.407 55.803 0.022 0.000 0.951 1297 Q CB 0.866 29.612 28.738 0.013 0.000 1.114 1297 Q HN 0.559 nan 8.270 nan 0.000 0.523 1298 V N 3.200 123.150 119.914 0.059 0.000 2.420 1298 V HA -0.025 4.095 4.120 -0.000 0.000 0.274 1298 V C 0.654 176.786 176.094 0.062 0.000 1.003 1298 V CA 0.606 62.940 62.300 0.057 0.000 1.092 1298 V CB -0.025 31.851 31.823 0.088 0.000 1.002 1298 V HN 0.011 nan 8.190 nan 0.000 0.473 1299 K N 3.551 123.941 120.400 -0.016 0.000 2.832 1299 K HA 0.540 4.860 4.320 -0.000 0.000 0.211 1299 K C 0.289 176.858 176.600 -0.052 0.000 1.112 1299 K CA 0.228 56.497 56.287 -0.030 0.000 1.108 1299 K CB 0.923 33.372 32.500 -0.085 0.000 0.899 1299 K HN 0.950 nan 8.250 nan 0.000 0.464 1300 G N -0.868 107.946 108.800 0.025 0.000 2.351 1300 G HA2 0.269 4.229 3.960 -0.000 0.000 0.296 1300 G HA3 0.269 4.229 3.960 -0.000 0.000 0.296 1300 G C -1.882 173.182 174.900 0.273 0.000 1.685 1300 G CA -0.798 44.390 45.100 0.145 0.000 0.936 1300 G HN -0.075 nan 8.290 nan 0.000 0.714 1301 V N 2.282 122.361 119.914 0.274 0.000 2.569 1301 V HA 0.722 4.842 4.120 -0.000 0.000 0.301 1301 V C 0.138 176.308 176.094 0.126 0.000 1.044 1301 V CA -0.794 61.618 62.300 0.187 0.000 0.874 1301 V CB 1.795 33.654 31.823 0.061 0.000 1.002 1301 V HN 0.894 nan 8.190 nan 0.000 0.424 1302 R N 3.607 124.138 120.500 0.052 0.000 2.912 1302 R HA 0.684 5.024 4.340 -0.000 0.000 0.262 1302 R C -0.926 175.322 176.300 -0.087 0.000 1.057 1302 R CA -0.909 55.138 56.100 -0.089 0.000 0.981 1302 R CB 2.357 32.460 30.300 -0.328 0.000 1.201 1302 R HN 0.527 nan 8.270 nan 0.000 0.484 1303 L N 2.145 123.309 121.223 -0.100 0.000 2.935 1303 L HA 0.264 4.604 4.340 -0.000 0.000 0.243 1303 L C -0.647 176.173 176.870 -0.084 0.000 1.313 1303 L CA -0.540 54.254 54.840 -0.075 0.000 0.969 1303 L CB 1.385 43.411 42.059 -0.056 0.000 1.320 1303 L HN 0.365 nan 8.230 nan 0.000 0.511 1304 V N 1.407 121.253 119.914 -0.114 0.000 2.621 1304 V HA -0.138 3.982 4.120 -0.000 0.000 0.300 1304 V C 0.532 176.586 176.094 -0.066 0.000 1.031 1304 V CA 0.487 62.719 62.300 -0.113 0.000 1.210 1304 V CB 0.497 32.245 31.823 -0.124 0.000 0.864 1304 V HN 0.140 nan 8.190 nan 0.000 0.477 1305 V N 6.709 126.589 119.914 -0.057 0.000 2.311 1305 V HA 0.370 4.490 4.120 -0.000 0.000 0.275 1305 V C 0.255 176.327 176.094 -0.037 0.000 1.022 1305 V CA -0.682 61.598 62.300 -0.032 0.000 0.830 1305 V CB 0.969 32.784 31.823 -0.014 0.000 1.012 1305 V HN 0.864 nan 8.190 nan 0.000 0.452 1306 N N 4.553 123.233 118.700 -0.033 0.000 2.430 1306 N HA 0.614 5.354 4.740 -0.000 0.000 0.298 1306 N C -0.738 174.751 175.510 -0.034 0.000 1.130 1306 N CA -0.474 52.557 53.050 -0.031 0.000 0.894 1306 N CB 2.778 41.250 38.487 -0.025 0.000 1.209 1306 N HN 0.466 nan 8.380 nan 0.000 0.503 1307 I N 1.583 122.138 120.570 -0.026 0.000 2.378 1307 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 1307 I C 0.695 176.812 176.117 -0.001 0.000 0.992 1307 I CA -0.711 60.575 61.300 -0.023 0.000 1.154 1307 I CB 1.365 39.364 38.000 -0.002 0.000 1.315 1307 I HN 0.177 nan 8.210 nan 0.000 0.448 1308 R N 4.561 125.053 120.500 -0.014 0.000 2.537 1308 R HA -0.059 4.281 4.340 -0.000 0.000 0.281 1308 R C 0.474 176.828 176.300 0.091 0.000 0.988 1308 R CA -0.087 56.042 56.100 0.049 0.000 1.077 1308 R CB 0.517 30.883 30.300 0.110 0.000 0.932 1308 R HN 0.589 nan 8.270 nan 0.000 0.409 1309 D N 1.977 122.412 120.400 0.059 0.000 2.123 1309 D HA -0.141 4.498 4.640 -0.000 0.000 0.196 1309 D C 1.436 177.762 176.300 0.044 0.000 0.992 1309 D CA 1.774 55.797 54.000 0.038 0.000 0.833 1309 D CB -0.104 40.700 40.800 0.007 0.000 0.954 1309 D HN 0.576 nan 8.370 nan 0.000 0.455 1310 T N 0.525 115.109 114.554 0.051 0.000 2.680 1310 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 1310 T C 1.634 176.312 174.700 -0.037 0.000 1.033 1310 T CA 1.731 63.817 62.100 -0.022 0.000 1.152 1310 T CB -0.410 68.467 68.868 0.015 0.000 0.859 1310 T HN 0.347 nan 8.240 nan 0.000 0.452 1311 H N -0.394 118.668 119.070 -0.013 0.000 2.520 1311 H HA 0.343 4.899 4.556 -0.000 0.000 0.279 1311 H C 2.549 177.902 175.328 0.041 0.000 0.990 1311 H CA 0.739 56.743 56.048 -0.074 0.000 1.288 1311 H CB -0.365 29.166 29.762 -0.385 0.000 1.446 1311 H HN 0.227 nan 8.280 nan 0.000 0.538 1312 S N 0.316 116.111 115.700 0.159 0.000 2.359 1312 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 1312 S C 1.786 176.439 174.600 0.088 0.000 1.035 1312 S CA 1.340 59.607 58.200 0.112 0.000 1.018 1312 S CB -0.206 63.033 63.200 0.066 0.000 0.876 1312 S HN 0.227 nan 8.310 nan 0.000 0.448 1313 I N 1.307 121.913 120.570 0.060 0.000 2.928 1313 I HA 0.086 4.256 4.170 -0.000 0.000 0.266 1313 I C 1.962 178.114 176.117 0.058 0.000 1.234 1313 I CA 0.478 61.803 61.300 0.041 0.000 1.483 1313 I CB -0.419 37.587 38.000 0.009 0.000 1.097 1313 I HN 0.335 nan 8.210 nan 0.000 0.455 1314 L N -0.370 120.904 121.223 0.084 0.000 2.044 1314 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 1314 L C 2.328 179.289 176.870 0.152 0.000 1.075 1314 L CA 1.339 56.248 54.840 0.115 0.000 0.747 1314 L CB -0.076 42.064 42.059 0.134 0.000 0.903 1314 L HN 0.158 nan 8.230 nan 0.000 0.435 1315 L N 0.072 121.409 121.223 0.190 0.000 2.131 1315 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 1315 L C 2.390 179.317 176.870 0.095 0.000 1.092 1315 L CA 1.260 56.196 54.840 0.160 0.000 0.759 1315 L CB -0.745 41.412 42.059 0.163 0.000 0.903 1315 L HN 0.454 nan 8.230 nan 0.000 0.435 1316 N N 0.389 119.139 118.700 0.083 0.000 2.354 1316 N HA -0.107 4.633 4.740 -0.000 0.000 0.179 1316 N C 1.760 177.305 175.510 0.058 0.000 1.021 1316 N CA 1.163 54.247 53.050 0.057 0.000 0.887 1316 N CB 0.297 38.811 38.487 0.045 0.000 0.974 1316 N HN 0.297 nan 8.380 nan 0.000 0.437 1317 A N 1.584 124.446 122.820 0.070 0.000 1.840 1317 A HA 0.042 4.362 4.320 -0.000 0.000 0.214 1317 A C 1.901 179.539 177.584 0.090 0.000 1.198 1317 A CA 0.558 52.638 52.037 0.072 0.000 0.608 1317 A CB -0.817 18.224 19.000 0.068 0.000 0.839 1317 A HN 0.302 nan 8.150 nan 0.000 0.443 1318 L N 0.365 121.650 121.223 0.103 0.000 2.949 1318 L HA 0.022 4.362 4.340 -0.000 0.000 0.263 1318 L C 1.563 178.486 176.870 0.088 0.000 1.190 1318 L CA 0.337 55.248 54.840 0.117 0.000 1.022 1318 L CB -0.441 41.698 42.059 0.132 0.000 1.313 1318 L HN 0.557 nan 8.230 nan 0.000 0.413 1319 S N -1.191 114.549 115.700 0.067 0.000 3.799 1319 S HA 0.028 4.498 4.470 -0.000 0.000 0.170 1319 S C 1.216 175.827 174.600 0.017 0.000 0.840 1319 S CA -0.146 58.073 58.200 0.033 0.000 1.025 1319 S CB 0.130 63.348 63.200 0.030 0.000 1.455 1319 S HN 0.340 nan 8.310 nan 0.000 0.804 1320 D N 1.560 121.976 120.400 0.027 0.000 2.084 1320 D HA 0.007 4.647 4.640 -0.000 0.000 0.196 1320 D C 0.827 177.153 176.300 0.043 0.000 0.985 1320 D CA 0.991 55.004 54.000 0.023 0.000 0.826 1320 D CB -0.341 40.473 40.800 0.024 0.000 0.978 1320 D HN 0.500 nan 8.370 nan 0.000 0.456 1321 Q N -0.423 119.418 119.800 0.068 0.000 2.500 1321 Q HA 0.209 4.549 4.340 -0.000 0.000 0.215 1321 Q C -0.350 175.767 176.000 0.194 0.000 1.062 1321 Q CA 0.286 56.150 55.803 0.102 0.000 0.996 1321 Q CB 0.665 29.454 28.738 0.085 0.000 1.239 1321 Q HN 0.182 nan 8.270 nan 0.000 0.578 1322 H N 0.231 119.323 119.070 0.037 0.000 3.124 1322 H HA 0.198 4.753 4.556 -0.000 0.000 0.328 1322 H C -1.754 173.598 175.328 0.040 0.000 1.478 1322 H CA -0.289 55.784 56.048 0.042 0.000 1.627 1322 H CB 0.118 29.899 29.762 0.033 0.000 2.050 1322 H HN 0.436 nan 8.280 nan 0.000 0.641 1323 E N 2.883 123.054 120.200 -0.048 0.000 2.267 1323 E HA 0.230 4.579 4.350 -0.000 0.000 0.241 1323 E C -0.445 176.108 176.600 -0.078 0.000 0.950 1323 E CA -0.497 55.874 56.400 -0.048 0.000 0.776 1323 E CB 0.820 30.595 29.700 0.126 0.000 1.207 1323 E HN 0.505 nan 8.360 nan 0.000 0.436 1324 Q N 1.631 121.221 119.800 -0.351 0.000 2.332 1324 Q HA 0.312 4.652 4.340 -0.000 0.000 0.263 1324 Q C -0.570 175.215 176.000 -0.360 0.000 0.979 1324 Q CA 0.169 55.795 55.803 -0.294 0.000 0.885 1324 Q CB 0.581 29.096 28.738 -0.372 0.000 1.218 1324 Q HN 0.449 nan 8.270 nan 0.000 0.405 1325 H N 0.998 120.001 119.070 -0.112 0.000 2.651 1325 H HA 0.199 4.755 4.556 -0.000 0.000 0.252 1325 H C -1.169 174.118 175.328 -0.069 0.000 1.365 1325 H CA -0.596 55.405 56.048 -0.078 0.000 1.539 1325 H CB 0.480 30.199 29.762 -0.071 0.000 1.621 1325 H HN 0.319 nan 8.280 nan 0.000 0.526 1326 K N 2.514 122.924 120.400 0.017 0.000 2.222 1326 K HA 0.130 4.450 4.320 -0.000 0.000 0.243 1326 K C -0.671 175.939 176.600 0.016 0.000 1.160 1326 K CA -0.288 56.008 56.287 0.015 0.000 1.090 1326 K CB -0.175 32.333 32.500 0.014 0.000 1.694 1326 K HN 0.451 nan 8.250 nan 0.000 0.361 1336 F N 2.751 122.716 119.950 0.025 0.000 2.154 1336 F HA -0.218 4.309 4.527 -0.000 0.000 0.301 1336 F C 2.297 178.179 175.800 0.136 0.000 1.087 1336 F CA 2.339 60.392 58.000 0.088 0.000 1.274 1336 F CB -0.013 39.042 39.000 0.092 0.000 1.009 1336 F HN 0.587 nan 8.300 nan 0.000 0.485 1337 S N -0.091 115.811 115.700 0.336 0.000 2.363 1337 S HA -0.329 4.141 4.470 -0.000 0.000 0.218 1337 S C 1.915 176.584 174.600 0.114 0.000 1.035 1337 S CA 1.547 59.898 58.200 0.251 0.000 1.043 1337 S CB -0.817 62.490 63.200 0.179 0.000 0.986 1337 S HN 0.555 nan 8.310 nan 0.000 0.423 1338 E N 1.396 121.638 120.200 0.070 0.000 2.086 1338 E HA -0.289 4.060 4.350 -0.000 0.000 0.205 1338 E C 2.120 178.708 176.600 -0.020 0.000 1.027 1338 E CA 1.324 57.738 56.400 0.022 0.000 0.830 1338 E CB -0.389 29.321 29.700 0.018 0.000 0.751 1338 E HN 0.440 nan 8.360 nan 0.000 0.456 1339 A N 1.407 124.192 122.820 -0.060 0.000 1.852 1339 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 1339 A C 2.323 179.817 177.584 -0.149 0.000 1.215 1339 A CA 1.881 53.831 52.037 -0.146 0.000 0.641 1339 A CB -1.257 17.568 19.000 -0.292 0.000 0.838 1339 A HN 0.452 nan 8.150 nan 0.000 0.450 1340 L N -1.003 120.117 121.223 -0.171 0.000 2.054 1340 L HA -0.361 3.979 4.340 -0.000 0.000 0.220 1340 L C 3.038 179.890 176.870 -0.031 0.000 1.081 1340 L CA 1.673 56.466 54.840 -0.077 0.000 0.780 1340 L CB -0.563 41.526 42.059 0.051 0.000 0.893 1340 L HN 0.552 nan 8.230 nan 0.000 0.438 1341 A N -0.259 122.549 122.820 -0.020 0.000 1.870 1341 A HA -0.336 3.983 4.320 -0.000 0.000 0.219 1341 A C 2.157 179.749 177.584 0.013 0.000 1.224 1341 A CA 2.534 54.568 52.037 -0.005 0.000 0.650 1341 A CB -0.614 18.386 19.000 0.000 0.000 0.836 1341 A HN 0.476 nan 8.150 nan 0.000 0.454 1342 M N -0.802 118.780 119.600 -0.031 0.000 2.192 1342 M HA -0.151 4.329 4.480 -0.000 0.000 0.259 1342 M C 2.151 178.414 176.300 -0.062 0.000 1.071 1342 M CA 1.270 56.534 55.300 -0.061 0.000 1.082 1342 M CB -1.556 30.972 32.600 -0.120 0.000 1.373 1342 M HN 0.427 nan 8.290 nan 0.000 0.408 1343 L N -1.371 119.823 121.223 -0.048 0.000 2.201 1343 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 1343 L C 2.482 179.390 176.870 0.063 0.000 1.105 1343 L CA 0.899 55.727 54.840 -0.021 0.000 0.775 1343 L CB -0.508 41.547 42.059 -0.006 0.000 0.913 1343 L HN 0.150 nan 8.230 nan 0.000 0.440 1344 Y N 0.677 120.924 120.300 -0.087 0.000 2.439 1344 Y HA -0.163 4.387 4.550 -0.000 0.000 0.292 1344 Y C 2.290 178.138 175.900 -0.085 0.000 1.130 1344 Y CA 0.905 58.944 58.100 -0.101 0.000 1.254 1344 Y CB 0.000 38.395 38.460 -0.109 0.000 1.000 1344 Y HN 0.052 nan 8.280 nan 0.000 0.554 1345 K N -0.010 120.396 120.400 0.009 0.000 2.217 1345 K HA -0.128 4.192 4.320 -0.000 0.000 0.202 1345 K C 2.122 178.674 176.600 -0.080 0.000 1.051 1345 K CA 0.910 57.164 56.287 -0.054 0.000 0.952 1345 K CB -0.327 32.149 32.500 -0.040 0.000 0.736 1345 K HN 0.358 nan 8.250 nan 0.000 0.453 1346 R N 1.015 121.473 120.500 -0.069 0.000 2.062 1346 R HA -0.058 4.282 4.340 -0.000 0.000 0.231 1346 R C 1.906 178.159 176.300 -0.077 0.000 1.136 1346 R CA 1.262 57.324 56.100 -0.063 0.000 0.948 1346 R CB 0.032 30.305 30.300 -0.044 0.000 0.845 1346 R HN -0.010 nan 8.270 nan 0.000 0.430 1347 I N 0.594 121.100 120.570 -0.106 0.000 2.584 1347 I HA -0.002 4.168 4.170 -0.000 0.000 0.255 1347 I C -0.059 175.936 176.117 -0.202 0.000 1.145 1347 I CA 0.583 61.804 61.300 -0.133 0.000 1.462 1347 I CB -1.180 36.744 38.000 -0.127 0.000 1.102 1347 I HN 0.066 nan 8.210 nan 0.000 0.433 1348 N N 3.707 122.226 118.700 -0.303 0.000 2.485 1348 N HA 0.220 4.960 4.740 -0.000 0.000 0.243 1348 N C -2.096 173.313 175.510 -0.169 0.000 0.987 1348 N CA -0.974 51.883 53.050 -0.323 0.000 0.940 1348 N CB 0.972 39.073 38.487 -0.643 0.000 1.122 1348 N HN 0.103 nan 8.380 nan 0.000 0.509 1349 P HA 0.196 nan 4.420 nan 0.000 0.231 1349 P C -1.062 176.285 177.300 0.077 0.000 1.833 1349 P CA 0.061 63.146 63.100 -0.025 0.000 1.023 1349 P CB 0.132 31.816 31.700 -0.027 0.000 1.643 1350 H N -0.083 118.918 119.070 -0.116 0.000 3.046 1350 H HA 0.389 4.945 4.556 -0.000 0.000 0.361 1350 H C 0.423 175.704 175.328 -0.078 0.000 1.235 1350 H CA -0.375 55.621 56.048 -0.086 0.000 1.146 1350 H CB 0.925 30.636 29.762 -0.085 0.000 1.859 1350 H HN -0.204 nan 8.280 nan 0.000 0.548 1360 T N 1.884 116.447 114.554 0.016 0.000 2.915 1360 T HA 0.047 4.397 4.350 -0.000 0.000 0.269 1360 T C 1.802 176.500 174.700 -0.003 0.000 1.071 1360 T CA 1.191 63.299 62.100 0.014 0.000 1.132 1360 T CB -0.150 68.726 68.868 0.014 0.000 0.878 1360 T HN 0.187 nan 8.240 nan 0.000 0.479 1361 I N 0.878 121.439 120.570 -0.015 0.000 2.202 1361 I HA -0.069 4.101 4.170 -0.000 0.000 0.242 1361 I C 2.869 178.924 176.117 -0.103 0.000 1.091 1361 I CA 1.154 62.407 61.300 -0.078 0.000 1.368 1361 I CB -0.860 37.122 38.000 -0.032 0.000 1.058 1361 I HN 0.285 nan 8.210 nan 0.000 0.410 1362 G N 0.601 109.382 108.800 -0.032 0.000 2.545 1362 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.217 1362 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.217 1362 G C 1.511 176.442 174.900 0.052 0.000 1.218 1362 G CA 1.230 46.335 45.100 0.008 0.000 0.787 1362 G HN 0.439 nan 8.290 nan 0.000 0.571 1363 E N 0.285 120.524 120.200 0.066 0.000 2.017 1363 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 1363 E C 2.399 179.042 176.600 0.070 0.000 0.997 1363 E CA 1.251 57.708 56.400 0.095 0.000 0.804 1363 E CB -0.204 29.547 29.700 0.085 0.000 0.757 1363 E HN 0.579 nan 8.360 nan 0.000 0.448 1364 E N 0.326 120.549 120.200 0.037 0.000 2.108 1364 E HA -0.225 4.125 4.350 -0.000 0.000 0.203 1364 E C 1.430 178.066 176.600 0.061 0.000 1.022 1364 E CA 1.054 57.475 56.400 0.035 0.000 0.823 1364 E CB -0.313 29.389 29.700 0.004 0.000 0.744 1364 E HN 0.373 nan 8.360 nan 0.000 0.456 1365 L N 1.594 122.828 121.223 0.018 0.000 3.163 1365 L HA -0.093 4.247 4.340 -0.000 0.000 0.261 1365 L C 0.841 177.865 176.870 0.257 0.000 1.313 1365 L CA -0.225 54.673 54.840 0.096 0.000 1.111 1365 L CB -0.101 41.879 42.059 -0.130 0.000 1.511 1365 L HN 0.125 nan 8.230 nan 0.000 0.419 1366 L N -1.844 119.484 121.223 0.175 0.000 2.678 1366 L HA 0.233 4.573 4.340 -0.000 0.000 0.211 1366 L C 0.661 177.516 176.870 -0.025 0.000 1.043 1366 L CA 0.425 55.260 54.840 -0.009 0.000 0.881 1366 L CB 0.055 42.076 42.059 -0.063 0.000 1.361 1366 L HN 0.067 nan 8.230 nan 0.000 0.484 1367 D N -0.171 120.271 120.400 0.070 0.000 2.493 1367 D HA -0.098 4.542 4.640 -0.000 0.000 0.240 1367 D C 0.865 177.247 176.300 0.138 0.000 1.142 1367 D CA 0.326 54.378 54.000 0.087 0.000 0.872 1367 D CB 0.662 41.522 40.800 0.101 0.000 1.173 1367 D HN 0.096 nan 8.370 nan 0.000 0.467 1368 Y N 5.047 125.314 120.300 -0.055 0.000 2.029 1368 Y HA -0.380 4.170 4.550 -0.000 0.000 0.269 1368 Y C 2.320 178.239 175.900 0.032 0.000 1.201 1368 Y CA 2.264 60.324 58.100 -0.066 0.000 1.115 1368 Y CB -0.080 38.344 38.460 -0.060 0.000 0.945 1368 Y HN 0.404 nan 8.280 nan 0.000 0.497 1369 R N 0.587 121.356 120.500 0.448 0.000 2.154 1369 R HA -0.284 4.056 4.340 -0.000 0.000 0.236 1369 R C 1.898 178.238 176.300 0.067 0.000 1.121 1369 R CA 2.326 58.593 56.100 0.277 0.000 0.915 1369 R CB -0.974 29.453 30.300 0.210 0.000 0.856 1369 R HN 0.581 nan 8.270 nan 0.000 0.431 1370 N N -0.037 118.702 118.700 0.066 0.000 2.389 1370 N HA -0.230 4.510 4.740 -0.000 0.000 0.194 1370 N C 0.950 176.155 175.510 -0.507 0.000 1.008 1370 N CA 1.331 54.314 53.050 -0.112 0.000 0.898 1370 N CB -0.361 38.122 38.487 -0.006 0.000 0.957 1370 N HN 0.400 nan 8.380 nan 0.000 0.447 1371 Y N 0.011 120.063 120.300 -0.413 0.000 2.495 1371 Y HA 0.303 4.853 4.550 -0.000 0.000 0.293 1371 Y C 0.518 176.214 175.900 -0.340 0.000 1.186 1371 Y CA -0.155 57.680 58.100 -0.443 0.000 1.266 1371 Y CB 0.118 38.435 38.460 -0.239 0.000 1.101 1371 Y HN -0.087 nan 8.280 nan 0.000 0.517 1372 L N -0.998 120.108 121.223 -0.195 0.000 2.170 1372 L HA 0.516 4.856 4.340 -0.000 0.000 0.247 1372 L C -1.046 175.771 176.870 -0.089 0.000 1.078 1372 L CA -0.851 53.916 54.840 -0.121 0.000 0.936 1372 L CB 1.666 43.672 42.059 -0.089 0.000 1.528 1372 L HN -0.229 nan 8.230 nan 0.000 0.455 1373 D N -0.026 120.347 120.400 -0.045 0.000 2.491 1373 D HA 0.374 5.014 4.640 -0.000 0.000 0.232 1373 D C -1.357 174.935 176.300 -0.013 0.000 1.334 1373 D CA -0.146 53.839 54.000 -0.024 0.000 0.909 1373 D CB 0.452 41.238 40.800 -0.023 0.000 1.513 1373 D HN 0.253 nan 8.370 nan 0.000 0.514 1374 L N 1.436 122.659 121.223 0.001 0.000 2.466 1374 L HA 0.622 4.962 4.340 -0.000 0.000 0.257 1374 L C 0.569 177.434 176.870 -0.008 0.000 1.189 1374 L CA -0.140 54.700 54.840 -0.000 0.000 0.813 1374 L CB 1.148 43.217 42.059 0.017 0.000 1.118 1374 L HN 0.417 nan 8.230 nan 0.000 0.471 1375 E N -0.225 119.964 120.200 -0.018 0.000 2.432 1375 E HA 0.528 4.878 4.350 -0.000 0.000 0.279 1375 E C -2.079 174.504 176.600 -0.028 0.000 1.099 1375 E CA -0.647 55.741 56.400 -0.020 0.000 0.859 1375 E CB 2.379 32.070 29.700 -0.016 0.000 1.402 1375 E HN 0.212 nan 8.360 nan 0.000 0.451 1376 V N 1.246 121.148 119.914 -0.020 0.000 2.876 1376 V HA 0.544 4.664 4.120 -0.000 0.000 0.312 1376 V C -0.956 175.149 176.094 0.017 0.000 1.085 1376 V CA -0.674 61.617 62.300 -0.015 0.000 0.945 1376 V CB 1.933 33.741 31.823 -0.024 0.000 1.017 1376 V HN 0.640 nan 8.190 nan 0.000 0.428 1377 E N 1.015 121.244 120.200 0.048 0.000 2.340 1377 E HA 0.595 4.945 4.350 -0.000 0.000 0.273 1377 E C -1.108 175.628 176.600 0.226 0.000 0.891 1377 E CA -0.762 55.719 56.400 0.135 0.000 0.757 1377 E CB 2.567 32.363 29.700 0.159 0.000 1.231 1377 E HN 0.813 nan 8.360 nan 0.000 0.439 1378 T N 0.103 114.784 114.554 0.211 0.000 2.772 1378 T HA 0.416 4.766 4.350 -0.000 0.000 0.288 1378 T C -0.327 174.447 174.700 0.123 0.000 0.994 1378 T CA -0.845 61.354 62.100 0.165 0.000 0.951 1378 T CB 0.554 69.468 68.868 0.077 0.000 0.933 1378 T HN 0.187 nan 8.240 nan 0.000 0.447 1379 L N 4.046 125.280 121.223 0.018 0.000 2.410 1379 L HA 0.489 4.829 4.340 -0.000 0.000 0.273 1379 L C 0.338 177.061 176.870 -0.246 0.000 1.152 1379 L CA 0.489 55.083 54.840 -0.411 0.000 0.855 1379 L CB -0.039 41.483 42.059 -0.895 0.000 1.129 1379 L HN 0.778 nan 8.230 nan 0.000 0.463 1380 R N 2.457 122.806 120.500 -0.252 0.000 3.212 1380 R HA 0.592 4.932 4.340 -0.000 0.000 0.240 1380 R C 0.533 176.745 176.300 -0.146 0.000 1.470 1380 R CA -0.440 55.578 56.100 -0.136 0.000 1.041 1380 R CB 0.238 30.504 30.300 -0.057 0.000 1.494 1380 R HN 0.607 nan 8.270 nan 0.000 0.502 1381 G N -0.464 108.288 108.800 -0.079 0.000 2.939 1381 G HA2 0.270 4.230 3.960 -0.000 0.000 0.216 1381 G HA3 0.270 4.230 3.960 -0.000 0.000 0.216 1381 G C 0.466 175.348 174.900 -0.030 0.000 1.125 1381 G CA 0.528 45.590 45.100 -0.064 0.000 0.766 1381 G HN 0.523 nan 8.290 nan 0.000 0.541 1382 A N 0.318 123.135 122.820 -0.005 0.000 3.720 1382 A HA 0.475 4.795 4.320 -0.000 0.000 0.157 1382 A C 0.150 177.802 177.584 0.112 0.000 1.736 1382 A CA -0.325 51.744 52.037 0.053 0.000 1.289 1382 A CB -0.558 18.475 19.000 0.055 0.000 1.598 1382 A HN 0.131 nan 8.150 nan 0.000 0.692 1383 Y N 1.934 122.219 120.300 -0.026 0.000 2.601 1383 Y HA 0.317 4.867 4.550 -0.000 0.000 0.350 1383 Y C 1.720 177.608 175.900 -0.019 0.000 1.230 1383 Y CA 0.195 58.289 58.100 -0.009 0.000 1.733 1383 Y CB -0.879 37.589 38.460 0.012 0.000 1.497 1383 Y HN 0.857 nan 8.280 nan 0.000 0.472 1384 G N 3.662 112.424 108.800 -0.065 0.000 2.896 1384 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.412 1384 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.412 1384 G C -0.090 174.686 174.900 -0.207 0.000 0.986 1384 G CA 1.047 46.043 45.100 -0.174 0.000 0.812 1384 G HN 0.647 nan 8.290 nan 0.000 0.907 1385 W N -0.404 120.896 121.300 -0.001 0.000 2.438 1385 W HA 0.789 5.449 4.660 -0.000 0.000 0.324 1385 W C 0.312 176.860 176.519 0.048 0.000 1.119 1385 W CA -0.833 56.523 57.345 0.019 0.000 1.221 1385 W CB 1.190 30.651 29.460 0.002 0.000 1.253 1385 W HN 0.112 nan 8.180 nan 0.000 0.555 1386 M N 2.860 122.625 119.600 0.275 0.000 2.326 1386 M HA 0.289 4.769 4.480 -0.000 0.000 0.292 1386 M C 0.028 176.417 176.300 0.148 0.000 1.081 1386 M CA -1.313 54.102 55.300 0.190 0.000 0.919 1386 M CB 1.913 34.598 32.600 0.141 0.000 1.634 1386 M HN 0.540 nan 8.290 nan 0.000 0.451 1387 R N 1.724 122.291 120.500 0.111 0.000 2.587 1387 R HA 0.202 4.542 4.340 -0.000 0.000 0.268 1387 R C -0.174 176.162 176.300 0.060 0.000 0.978 1387 R CA 0.353 56.496 56.100 0.072 0.000 1.097 1387 R CB 0.480 30.809 30.300 0.049 0.000 0.917 1387 R HN 0.847 nan 8.270 nan 0.000 0.414 1388 A N 3.876 126.722 122.820 0.044 0.000 2.524 1388 A HA 0.046 4.365 4.320 -0.000 0.000 0.250 1388 A C -0.220 177.373 177.584 0.015 0.000 1.078 1388 A CA 0.166 52.219 52.037 0.027 0.000 0.761 1388 A CB 0.349 19.353 19.000 0.007 0.000 1.012 1388 A HN 0.712 nan 8.150 nan 0.000 0.500 1389 E N 2.059 122.267 120.200 0.014 0.000 2.317 1389 E HA 0.391 4.741 4.350 -0.000 0.000 0.270 1389 E C 0.506 177.108 176.600 0.003 0.000 0.899 1389 E CA -0.141 56.263 56.400 0.007 0.000 0.814 1389 E CB 0.828 30.535 29.700 0.012 0.000 1.296 1389 E HN 0.416 nan 8.360 nan 0.000 0.404 1390 S N 1.619 117.317 115.700 -0.003 0.000 2.368 1390 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 1390 S C 1.582 176.183 174.600 0.002 0.000 1.044 1390 S CA 1.871 60.069 58.200 -0.003 0.000 1.062 1390 S CB -0.198 62.998 63.200 -0.006 0.000 0.931 1390 S HN 0.585 nan 8.310 nan 0.000 0.440 1391 S N 1.371 117.071 115.700 0.001 0.000 2.420 1391 S HA -0.056 4.414 4.470 -0.000 0.000 0.237 1391 S C 1.811 176.413 174.600 0.003 0.000 1.023 1391 S CA 1.003 59.204 58.200 0.002 0.000 0.991 1391 S CB -0.318 62.883 63.200 0.000 0.000 0.792 1391 S HN 0.636 nan 8.310 nan 0.000 0.488 1392 A N -0.140 122.682 122.820 0.005 0.000 2.308 1392 A HA 0.501 4.821 4.320 -0.000 0.000 0.217 1392 A C 0.591 178.180 177.584 0.009 0.000 1.216 1392 A CA -0.058 51.982 52.037 0.006 0.000 0.864 1392 A CB 0.119 19.123 19.000 0.008 0.000 0.902 1392 A HN 0.354 nan 8.150 nan 0.000 0.499 1393 L N -0.454 120.775 121.223 0.010 0.000 2.286 1393 L HA 0.513 4.853 4.340 -0.000 0.000 0.265 1393 L C 0.559 177.438 176.870 0.015 0.000 1.012 1393 L CA -0.821 54.027 54.840 0.013 0.000 0.818 1393 L CB 2.045 44.111 42.059 0.011 0.000 1.337 1393 L HN 0.238 nan 8.230 nan 0.000 0.438 1394 S N -1.737 113.976 115.700 0.022 0.000 2.722 1394 S HA 0.294 4.764 4.470 -0.000 0.000 0.292 1394 S C 0.849 175.466 174.600 0.029 0.000 1.135 1394 S CA -0.267 57.948 58.200 0.025 0.000 1.003 1394 S CB 1.591 64.809 63.200 0.030 0.000 1.067 1394 S HN 0.633 nan 8.310 nan 0.000 0.546 1395 T N 1.782 116.355 114.554 0.032 0.000 2.565 1395 T HA -0.137 4.212 4.350 -0.000 0.000 0.265 1395 T C 1.967 176.695 174.700 0.046 0.000 1.082 1395 T CA 2.290 64.412 62.100 0.037 0.000 1.173 1395 T CB -1.437 67.455 68.868 0.040 0.000 0.864 1395 T HN 0.898 nan 8.240 nan 0.000 0.425 1396 G N 1.054 109.894 108.800 0.066 0.000 2.480 1396 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 1396 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 1396 G C 1.411 176.369 174.900 0.097 0.000 1.200 1396 G CA 1.089 46.252 45.100 0.105 0.000 0.782 1396 G HN 0.602 nan 8.290 nan 0.000 0.554 1397 E N 0.600 120.851 120.200 0.085 0.000 2.147 1397 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 1397 E C 2.849 179.442 176.600 -0.012 0.000 1.005 1397 E CA 1.010 57.445 56.400 0.059 0.000 0.810 1397 E CB -0.239 29.491 29.700 0.049 0.000 0.736 1397 E HN 0.444 nan 8.360 nan 0.000 0.460 1398 A N 0.983 123.797 122.820 -0.010 0.000 1.897 1398 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 1398 A C 2.172 179.714 177.584 -0.071 0.000 1.181 1398 A CA 0.931 52.948 52.037 -0.034 0.000 0.620 1398 A CB -0.470 18.523 19.000 -0.012 0.000 0.821 1398 A HN 0.133 nan 8.150 nan 0.000 0.443 1399 I N -0.194 120.341 120.570 -0.059 0.000 2.179 1399 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 1399 I C 2.754 178.744 176.117 -0.212 0.000 1.088 1399 I CA 1.182 62.434 61.300 -0.080 0.000 1.357 1399 I CB -0.965 37.028 38.000 -0.013 0.000 1.051 1399 I HN 0.374 nan 8.210 nan 0.000 0.409 1400 G N 0.799 109.361 108.800 -0.396 0.000 2.514 1400 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 1400 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 1400 G C 1.643 176.219 174.900 -0.540 0.000 1.198 1400 G CA 1.673 46.205 45.100 -0.948 0.000 0.780 1400 G HN 0.313 nan 8.290 nan 0.000 0.565 1401 T N 1.110 115.467 114.554 -0.328 0.000 2.665 1401 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 1401 T C 2.457 177.059 174.700 -0.164 0.000 1.035 1401 T CA 1.784 63.774 62.100 -0.184 0.000 1.151 1401 T CB -0.850 67.958 68.868 -0.100 0.000 0.862 1401 T HN 0.406 nan 8.240 nan 0.000 0.438 1402 G N 1.120 109.829 108.800 -0.153 0.000 2.459 1402 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 1402 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 1402 G C 1.549 176.362 174.900 -0.144 0.000 1.183 1402 G CA 1.389 46.413 45.100 -0.128 0.000 0.776 1402 G HN 0.368 nan 8.290 nan 0.000 0.552 1403 M N 1.412 120.911 119.600 -0.169 0.000 2.088 1403 M HA -0.138 4.342 4.480 -0.000 0.000 0.256 1403 M C 2.766 178.976 176.300 -0.150 0.000 1.071 1403 M CA 2.148 57.354 55.300 -0.156 0.000 1.097 1403 M CB -0.543 31.949 32.600 -0.180 0.000 1.315 1403 M HN 0.219 nan 8.290 nan 0.000 0.406 1404 S N 0.637 116.237 115.700 -0.166 0.000 2.377 1404 S HA -0.204 4.266 4.470 -0.000 0.000 0.224 1404 S C 1.858 176.386 174.600 -0.120 0.000 1.042 1404 S CA 1.869 59.995 58.200 -0.124 0.000 1.086 1404 S CB -0.865 62.269 63.200 -0.110 0.000 0.995 1404 S HN 0.525 nan 8.310 nan 0.000 0.428 1405 I N 1.218 121.712 120.570 -0.127 0.000 2.236 1405 I HA -0.184 3.986 4.170 -0.000 0.000 0.249 1405 I C 2.131 178.142 176.117 -0.177 0.000 1.102 1405 I CA 1.342 62.557 61.300 -0.141 0.000 1.365 1405 I CB -1.592 36.322 38.000 -0.143 0.000 1.051 1405 I HN 0.221 nan 8.210 nan 0.000 0.420 1406 L N -0.003 121.116 121.223 -0.174 0.000 2.072 1406 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 1406 L C 2.593 179.348 176.870 -0.191 0.000 1.079 1406 L CA 1.386 56.108 54.840 -0.195 0.000 0.752 1406 L CB -0.989 40.970 42.059 -0.166 0.000 0.906 1406 L HN 0.143 nan 8.230 nan 0.000 0.436 1407 L N -1.366 119.769 121.223 -0.147 0.000 2.013 1407 L HA -0.300 4.040 4.340 -0.000 0.000 0.212 1407 L C 2.575 179.364 176.870 -0.136 0.000 1.073 1407 L CA 1.572 56.340 54.840 -0.120 0.000 0.753 1407 L CB -0.489 41.519 42.059 -0.085 0.000 0.890 1407 L HN 0.330 nan 8.230 nan 0.000 0.432 1408 M N -1.112 118.400 119.600 -0.146 0.000 2.117 1408 M HA -0.175 4.305 4.480 -0.000 0.000 0.262 1408 M C 2.325 178.479 176.300 -0.244 0.000 1.065 1408 M CA 1.360 56.568 55.300 -0.154 0.000 1.114 1408 M CB -0.628 31.893 32.600 -0.131 0.000 1.361 1408 M HN 0.087 nan 8.290 nan 0.000 0.408 1409 V N 0.231 119.942 119.914 -0.338 0.000 2.250 1409 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 1409 V C 2.419 178.053 176.094 -0.767 0.000 1.060 1409 V CA 2.050 63.973 62.300 -0.627 0.000 1.030 1409 V CB -1.035 30.370 31.823 -0.696 0.000 0.643 1409 V HN 0.306 nan 8.190 nan 0.000 0.445 1410 V N -0.898 118.758 119.914 -0.430 0.000 2.358 1410 V HA -0.227 3.892 4.120 -0.000 0.000 0.246 1410 V C 1.887 177.936 176.094 -0.076 0.000 1.047 1410 V CA 1.532 63.738 62.300 -0.156 0.000 1.035 1410 V CB -0.694 31.113 31.823 -0.027 0.000 0.658 1410 V HN 0.573 nan 8.190 nan 0.000 0.452 1411 Q N -0.539 119.200 119.800 -0.103 0.000 2.516 1411 Q HA 0.077 4.417 4.340 -0.000 0.000 0.245 1411 Q C 1.136 177.098 176.000 -0.063 0.000 0.958 1411 Q CA 0.440 56.210 55.803 -0.056 0.000 0.959 1411 Q CB 0.112 28.817 28.738 -0.055 0.000 1.403 1411 Q HN 0.564 nan 8.270 nan 0.000 0.405 1412 S N -1.596 114.068 115.700 -0.059 0.000 3.718 1412 S HA 0.011 4.481 4.470 -0.000 0.000 0.238 1412 S C 0.468 175.136 174.600 0.113 0.000 1.136 1412 S CA -0.420 57.759 58.200 -0.035 0.000 0.950 1412 S CB -0.081 63.033 63.200 -0.144 0.000 1.096 1412 S HN 0.556 nan 8.310 nan 0.000 0.467 1413 W N 3.267 124.570 121.300 0.006 0.000 2.358 1413 W HA 0.123 4.782 4.660 -0.000 0.000 0.303 1413 W C 2.248 178.766 176.519 -0.001 0.000 1.208 1413 W CA 1.171 58.513 57.345 -0.006 0.000 1.274 1413 W CB -1.154 28.313 29.460 0.012 0.000 1.138 1413 W HN 0.585 nan 8.180 nan 0.000 0.515 1414 E N 0.434 120.781 120.200 0.245 0.000 2.012 1414 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 1414 E C 2.131 178.795 176.600 0.107 0.000 1.007 1414 E CA 1.690 58.182 56.400 0.155 0.000 0.816 1414 E CB -0.398 29.367 29.700 0.108 0.000 0.762 1414 E HN -0.031 nan 8.360 nan 0.000 0.451 1415 E N 0.933 121.179 120.200 0.075 0.000 2.110 1415 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 1415 E C 1.792 178.418 176.600 0.045 0.000 0.988 1415 E CA 1.224 57.651 56.400 0.046 0.000 0.804 1415 E CB -0.174 29.541 29.700 0.025 0.000 0.745 1415 E HN 0.409 nan 8.360 nan 0.000 0.458 1416 E N -0.319 119.918 120.200 0.061 0.000 2.510 1416 E HA -0.072 4.277 4.350 -0.000 0.000 0.202 1416 E C 0.680 177.300 176.600 0.033 0.000 1.072 1416 E CA 0.620 57.045 56.400 0.041 0.000 0.883 1416 E CB 0.147 29.888 29.700 0.069 0.000 0.818 1416 E HN 0.029 nan 8.360 nan 0.000 0.548 1417 S N -0.598 115.137 115.700 0.059 0.000 2.603 1417 S HA 0.205 4.674 4.470 -0.000 0.000 0.232 1417 S C 1.131 175.784 174.600 0.089 0.000 1.016 1417 S CA -0.581 57.665 58.200 0.076 0.000 0.976 1417 S CB 0.335 63.612 63.200 0.129 0.000 0.921 1417 S HN 0.214 nan 8.310 nan 0.000 0.516 1418 R N 1.666 122.198 120.500 0.054 0.000 2.139 1418 R HA -0.043 4.297 4.340 -0.000 0.000 0.243 1418 R C 2.138 178.454 176.300 0.026 0.000 1.145 1418 R CA 1.029 57.149 56.100 0.033 0.000 0.976 1418 R CB -0.176 30.134 30.300 0.016 0.000 0.866 1418 R HN 0.222 nan 8.270 nan 0.000 0.449 1419 R N 0.264 120.779 120.500 0.026 0.000 2.075 1419 R HA -0.012 4.328 4.340 -0.000 0.000 0.230 1419 R C 2.006 178.325 176.300 0.032 0.000 1.140 1419 R CA 1.187 57.298 56.100 0.019 0.000 0.928 1419 R CB -0.358 29.948 30.300 0.009 0.000 0.834 1419 R HN 0.185 nan 8.270 nan 0.000 0.429 1420 M N 0.623 120.259 119.600 0.059 0.000 2.700 1420 M HA -0.012 4.468 4.480 -0.000 0.000 0.249 1420 M C 1.025 177.392 176.300 0.112 0.000 1.082 1420 M CA 0.662 56.020 55.300 0.096 0.000 1.077 1420 M CB -0.789 31.887 32.600 0.126 0.000 1.477 1420 M HN 0.036 nan 8.290 nan 0.000 0.529 1421 R N -0.527 120.009 120.500 0.059 0.000 2.893 1421 R HA 0.734 5.074 4.340 -0.000 0.000 0.245 1421 R C -0.748 175.524 176.300 -0.046 0.000 1.192 1421 R CA -0.356 55.724 56.100 -0.034 0.000 1.077 1421 R CB 1.621 31.893 30.300 -0.048 0.000 1.253 1421 R HN 0.134 nan 8.270 nan 0.000 0.505 1422 A N 0.609 123.380 122.820 -0.082 0.000 2.252 1422 A HA 0.299 4.619 4.320 -0.000 0.000 0.305 1422 A C 0.148 177.700 177.584 -0.052 0.000 1.097 1422 A CA -0.393 51.607 52.037 -0.062 0.000 0.849 1422 A CB 0.775 19.730 19.000 -0.076 0.000 1.142 1422 A HN 0.797 nan 8.150 nan 0.000 0.499 1423 K N 0.075 120.451 120.400 -0.040 0.000 2.486 1423 K HA -0.025 4.295 4.320 -0.000 0.000 0.194 1423 K C -0.229 176.347 176.600 -0.039 0.000 1.033 1423 K CA 1.122 57.389 56.287 -0.033 0.000 1.004 1423 K CB 0.159 32.644 32.500 -0.025 0.000 0.798 1423 K HN 0.782 nan 8.250 nan 0.000 0.495 1424 D N 0.082 120.452 120.400 -0.050 0.000 2.538 1424 D HA 0.096 4.736 4.640 -0.000 0.000 0.231 1424 D C -0.258 175.998 176.300 -0.073 0.000 1.229 1424 D CA -0.231 53.737 54.000 -0.054 0.000 0.828 1424 D CB 0.209 40.981 40.800 -0.047 0.000 1.035 1424 D HN -0.066 nan 8.370 nan 0.000 0.495 1425 I N 0.726 121.244 120.570 -0.088 0.000 2.582 1425 I HA 0.392 4.562 4.170 -0.000 0.000 0.292 1425 I C -0.753 175.298 176.117 -0.109 0.000 1.066 1425 I CA -0.656 60.572 61.300 -0.119 0.000 1.053 1425 I CB 2.475 40.371 38.000 -0.174 0.000 1.241 1425 I HN -0.071 nan 8.210 nan 0.000 0.421 1426 L N 7.324 128.482 121.223 -0.108 0.000 2.410 1426 L HA 0.591 4.931 4.340 -0.000 0.000 0.270 1426 L C -2.360 174.452 176.870 -0.097 0.000 0.983 1426 L CA -1.626 53.165 54.840 -0.083 0.000 0.822 1426 L CB 2.684 44.708 42.059 -0.059 0.000 1.285 1426 L HN 0.340 nan 8.230 nan 0.000 0.409 1427 P HA 0.109 nan 4.420 nan 0.000 0.273 1427 P C -0.995 176.274 177.300 -0.051 0.000 1.250 1427 P CA -0.498 62.569 63.100 -0.055 0.000 0.793 1427 P CB 0.826 32.542 31.700 0.026 0.000 1.011 1428 C N 0.274 119.543 119.300 -0.051 0.000 2.358 1428 C HA 0.602 5.062 4.460 -0.000 0.000 0.342 1428 C C 0.547 175.603 174.990 0.109 0.000 1.234 1428 C CA -0.899 58.100 59.018 -0.031 0.000 1.969 1428 C CB 0.340 27.937 27.740 -0.239 0.000 2.346 1428 C HN 0.456 nan 8.230 nan 0.000 0.525 1429 R N 1.776 122.330 120.500 0.089 0.000 2.310 1429 R HA 0.793 5.132 4.340 -0.000 0.000 0.324 1429 R C -1.156 175.172 176.300 0.048 0.000 0.955 1429 R CA -0.354 55.790 56.100 0.072 0.000 0.830 1429 R CB 1.389 31.704 30.300 0.025 0.000 1.154 1429 R HN 0.844 nan 8.270 nan 0.000 0.458 1430 L N 3.842 125.061 121.223 -0.007 0.000 2.472 1430 L HA 0.556 4.896 4.340 -0.000 0.000 0.260 1430 L C -1.975 174.649 176.870 -0.410 0.000 0.963 1430 L CA -0.916 53.823 54.840 -0.168 0.000 0.829 1430 L CB 1.818 43.802 42.059 -0.126 0.000 1.348 1430 L HN 0.462 nan 8.230 nan 0.000 0.408 1431 L N 2.733 123.642 121.223 -0.524 0.000 2.322 1431 L HA 0.703 5.043 4.340 -0.000 0.000 0.252 1431 L C -1.158 175.244 176.870 -0.779 0.000 1.055 1431 L CA -0.181 54.270 54.840 -0.648 0.000 0.849 1431 L CB 2.186 44.062 42.059 -0.304 0.000 1.446 1431 L HN 0.416 nan 8.230 nan 0.000 0.416 1432 F N 0.455 120.342 119.950 -0.105 0.000 2.631 1432 F HA 0.765 5.292 4.527 -0.000 0.000 0.328 1432 F C -0.384 175.384 175.800 -0.053 0.000 1.067 1432 F CA -0.802 57.152 58.000 -0.077 0.000 0.969 1432 F CB 1.583 40.517 39.000 -0.110 0.000 1.332 1432 F HN 0.103 nan 8.300 nan 0.000 0.490 1433 L N 2.008 123.351 121.223 0.200 0.000 2.399 1433 L HA 0.336 4.676 4.340 -0.000 0.000 0.266 1433 L C -0.875 176.042 176.870 0.078 0.000 1.516 1433 L CA -0.144 54.760 54.840 0.105 0.000 0.715 1433 L CB -0.423 41.691 42.059 0.092 0.000 0.933 1433 L HN 0.508 nan 8.230 nan 0.000 0.524 1434 D N 1.563 121.982 120.400 0.031 0.000 2.443 1434 D HA 0.081 4.721 4.640 -0.000 0.000 0.234 1434 D C 0.021 176.324 176.300 0.005 0.000 1.172 1434 D CA 1.081 55.073 54.000 -0.014 0.000 0.878 1434 D CB 0.801 41.531 40.800 -0.116 0.000 1.204 1434 D HN 0.418 nan 8.370 nan 0.000 0.453 1435 Q N 0.605 120.414 119.800 0.015 0.000 2.448 1435 Q HA -0.196 4.144 4.340 -0.000 0.000 0.356 1435 Q C 0.094 176.123 176.000 0.048 0.000 1.430 1435 Q CA 0.917 56.737 55.803 0.029 0.000 1.011 1435 Q CB -2.160 26.588 28.738 0.016 0.000 1.203 1435 Q HN 0.511 nan 8.270 nan 0.000 0.351 1436 A N -0.447 122.411 122.820 0.064 0.000 2.251 1436 A HA 0.398 4.718 4.320 -0.000 0.000 0.209 1436 A C 1.861 179.492 177.584 0.079 0.000 1.187 1436 A CA 0.860 52.947 52.037 0.083 0.000 0.823 1436 A CB 0.187 19.248 19.000 0.103 0.000 0.846 1436 A HN 0.648 nan 8.150 nan 0.000 0.486 1437 A N 0.278 123.136 122.820 0.062 0.000 2.119 1437 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 1437 A C 2.024 179.639 177.584 0.053 0.000 1.153 1437 A CA 0.828 52.897 52.037 0.053 0.000 0.692 1437 A CB -0.361 18.665 19.000 0.043 0.000 0.799 1437 A HN 0.539 nan 8.150 nan 0.000 0.458 1438 R N -1.082 119.454 120.500 0.059 0.000 2.193 1438 R HA -0.024 4.316 4.340 -0.000 0.000 0.229 1438 R C -0.577 175.766 176.300 0.072 0.000 1.110 1438 R CA 0.335 56.471 56.100 0.060 0.000 0.988 1438 R CB -0.367 29.970 30.300 0.061 0.000 0.871 1438 R HN 0.329 nan 8.270 nan 0.000 0.458 1439 L N 1.478 122.752 121.223 0.086 0.000 2.292 1439 L HA 0.120 4.460 4.340 -0.000 0.000 0.284 1439 L C 0.431 177.333 176.870 0.054 0.000 1.065 1439 L CA -0.280 54.620 54.840 0.099 0.000 0.806 1439 L CB 1.145 43.291 42.059 0.145 0.000 1.175 1439 L HN 0.068 nan 8.230 nan 0.000 0.431 1440 D N 2.647 123.065 120.400 0.030 0.000 1.889 1440 D HA 0.162 4.802 4.640 -0.000 0.000 0.278 1440 D C 1.125 177.413 176.300 -0.021 0.000 1.077 1440 D CA 0.517 54.518 54.000 0.002 0.000 0.968 1440 D CB 0.180 40.975 40.800 -0.009 0.000 1.201 1440 D HN 0.436 nan 8.370 nan 0.000 0.448 1441 A N -1.736 121.056 122.820 -0.046 0.000 1.963 1441 A HA 0.164 4.483 4.320 -0.000 0.000 0.207 1441 A C 2.127 179.645 177.584 -0.110 0.000 1.243 1441 A CA 0.735 52.730 52.037 -0.071 0.000 0.728 1441 A CB -0.685 18.275 19.000 -0.066 0.000 0.895 1441 A HN 0.373 nan 8.150 nan 0.000 0.467 1442 M N 0.771 120.303 119.600 -0.114 0.000 2.065 1442 M HA -0.114 4.366 4.480 -0.000 0.000 0.259 1442 M C 2.290 178.419 176.300 -0.285 0.000 1.069 1442 M CA 2.228 57.431 55.300 -0.161 0.000 1.110 1442 M CB -0.575 31.949 32.600 -0.126 0.000 1.328 1442 M HN 0.383 nan 8.290 nan 0.000 0.405 1443 S N 0.317 115.837 115.700 -0.300 0.000 2.351 1443 S HA -0.139 4.331 4.470 -0.000 0.000 0.220 1443 S C 1.924 176.238 174.600 -0.477 0.000 1.035 1443 S CA 1.498 59.346 58.200 -0.587 0.000 1.031 1443 S CB -0.778 62.357 63.200 -0.109 0.000 0.928 1443 S HN 0.529 nan 8.310 nan 0.000 0.433 1444 I N 3.108 123.609 120.570 -0.114 0.000 2.151 1444 I HA -0.257 3.912 4.170 -0.000 0.000 0.243 1444 I C 2.100 178.249 176.117 0.054 0.000 1.080 1444 I CA 1.996 63.323 61.300 0.046 0.000 1.339 1444 I CB -1.258 36.776 38.000 0.057 0.000 1.039 1444 I HN 0.306 nan 8.210 nan 0.000 0.409 1445 N N 0.336 118.976 118.700 -0.100 0.000 2.104 1445 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 1445 N C 1.654 177.151 175.510 -0.021 0.000 1.024 1445 N CA 2.745 55.717 53.050 -0.131 0.000 0.853 1445 N CB -0.358 38.023 38.487 -0.178 0.000 1.008 1445 N HN 0.359 nan 8.380 nan 0.000 0.424 1446 T N 0.749 115.202 114.554 -0.169 0.000 2.759 1446 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 1446 T C 1.858 176.617 174.700 0.098 0.000 1.042 1446 T CA 0.949 62.956 62.100 -0.155 0.000 1.140 1446 T CB -0.372 68.153 68.868 -0.572 0.000 0.864 1446 T HN 0.211 nan 8.240 nan 0.000 0.455 1447 L N -0.547 120.799 121.223 0.206 0.000 2.079 1447 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 1447 L C 2.212 179.225 176.870 0.238 0.000 1.081 1447 L CA 1.338 56.384 54.840 0.344 0.000 0.752 1447 L CB -0.353 41.917 42.059 0.353 0.000 0.896 1447 L HN 0.194 nan 8.230 nan 0.000 0.433 1448 F N 0.418 120.397 119.950 0.048 0.000 2.014 1448 F HA -0.288 4.239 4.527 -0.000 0.000 0.295 1448 F C 2.570 178.389 175.800 0.031 0.000 1.145 1448 F CA 1.892 59.912 58.000 0.033 0.000 1.178 1448 F CB -0.709 38.299 39.000 0.014 0.000 0.972 1448 F HN 0.051 nan 8.300 nan 0.000 0.476 1449 E N 0.119 120.470 120.200 0.253 0.000 2.253 1449 E HA -0.264 4.086 4.350 -0.000 0.000 0.202 1449 E C 2.176 178.837 176.600 0.102 0.000 1.014 1449 E CA 1.135 57.619 56.400 0.139 0.000 0.823 1449 E CB -0.298 29.458 29.700 0.093 0.000 0.736 1449 E HN 0.380 nan 8.360 nan 0.000 0.478 1450 L N -0.725 120.564 121.223 0.110 0.000 1.993 1450 L HA -0.218 4.122 4.340 -0.000 0.000 0.206 1450 L C 2.654 179.547 176.870 0.038 0.000 1.074 1450 L CA 1.018 55.906 54.840 0.080 0.000 0.746 1450 L CB -0.414 41.709 42.059 0.106 0.000 0.896 1450 L HN 0.319 nan 8.230 nan 0.000 0.435 1451 C N 0.118 119.423 119.300 0.009 0.000 2.396 1451 C HA -0.203 4.257 4.460 -0.000 0.000 0.277 1451 C C 2.648 177.631 174.990 -0.012 0.000 1.231 1451 C CA 1.046 60.046 59.018 -0.030 0.000 1.775 1451 C CB -0.892 26.790 27.740 -0.098 0.000 2.036 1451 C HN 0.506 nan 8.230 nan 0.000 0.484 1452 E N -0.296 119.911 120.200 0.012 0.000 2.106 1452 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 1452 E C 2.436 179.053 176.600 0.027 0.000 0.984 1452 E CA 0.737 57.154 56.400 0.028 0.000 0.806 1452 E CB -0.201 29.535 29.700 0.059 0.000 0.750 1452 E HN 0.554 nan 8.360 nan 0.000 0.458 1453 R N 0.322 120.842 120.500 0.033 0.000 2.103 1453 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 1453 R C 2.175 178.486 176.300 0.018 0.000 1.142 1453 R CA 1.620 57.738 56.100 0.030 0.000 0.960 1453 R CB -0.152 30.171 30.300 0.038 0.000 0.858 1453 R HN 0.211 nan 8.270 nan 0.000 0.439 1454 L N -3.967 117.263 121.223 0.011 0.000 2.817 1454 L HA 0.442 4.782 4.340 -0.000 0.000 0.248 1454 L C -0.633 176.236 176.870 -0.001 0.000 1.133 1454 L CA -0.342 54.501 54.840 0.004 0.000 0.935 1454 L CB 0.440 42.498 42.059 -0.001 0.000 1.266 1454 L HN -0.114 nan 8.230 nan 0.000 0.535 1455 D N 0.434 120.832 120.400 -0.002 0.000 4.150 1455 D HA -0.065 4.574 4.640 -0.000 0.000 0.231 1455 D C -0.567 175.726 176.300 -0.011 0.000 1.129 1455 D CA 0.923 54.920 54.000 -0.005 0.000 1.005 1455 D CB -0.362 40.435 40.800 -0.004 0.000 0.691 1455 D HN 0.499 nan 8.370 nan 0.000 0.320 1456 M N 1.629 121.217 119.600 -0.019 0.000 3.008 1456 M HA 0.454 4.934 4.480 -0.000 0.000 0.271 1456 M C -1.608 174.668 176.300 -0.041 0.000 1.265 1456 M CA -0.449 54.835 55.300 -0.026 0.000 0.817 1456 M CB 1.739 34.314 32.600 -0.042 0.000 1.638 1456 M HN 0.187 nan 8.290 nan 0.000 0.479 1457 Q N 1.413 121.184 119.800 -0.048 0.000 2.397 1457 Q HA 0.765 5.105 4.340 -0.000 0.000 0.275 1457 Q C -1.771 174.159 176.000 -0.117 0.000 1.090 1457 Q CA -0.856 54.909 55.803 -0.062 0.000 0.809 1457 Q CB 3.222 31.960 28.738 -0.000 0.000 1.362 1457 Q HN 0.604 nan 8.270 nan 0.000 0.431 1458 L N 2.458 123.608 121.223 -0.121 0.000 2.441 1458 L HA 0.342 4.682 4.340 -0.000 0.000 0.270 1458 L C -1.031 175.836 176.870 -0.006 0.000 0.973 1458 L CA -0.780 53.992 54.840 -0.113 0.000 0.842 1458 L CB 1.782 43.757 42.059 -0.140 0.000 1.239 1458 L HN 0.464 nan 8.230 nan 0.000 0.406 1459 L N 6.059 127.336 121.223 0.090 0.000 2.648 1459 L HA 0.351 4.691 4.340 -0.000 0.000 0.238 1459 L C 0.426 177.452 176.870 0.261 0.000 1.316 1459 L CA -0.064 54.936 54.840 0.266 0.000 1.241 1459 L CB -0.439 41.911 42.059 0.485 0.000 1.499 1459 L HN 0.452 nan 8.230 nan 0.000 0.411 1460 I N -0.374 120.292 120.570 0.160 0.000 3.246 1460 I HA 0.563 4.733 4.170 -0.000 0.000 0.280 1460 I C 0.182 176.386 176.117 0.144 0.000 1.239 1460 I CA -0.117 61.270 61.300 0.145 0.000 1.336 1460 I CB 0.577 38.651 38.000 0.124 0.000 1.383 1460 I HN 0.451 nan 8.210 nan 0.000 0.617 1461 A N 3.325 126.216 122.820 0.118 0.000 2.442 1461 A HA 0.747 5.067 4.320 -0.000 0.000 0.284 1461 A C -0.519 177.116 177.584 0.085 0.000 1.058 1461 A CA -0.414 51.685 52.037 0.103 0.000 0.738 1461 A CB 1.084 20.134 19.000 0.083 0.000 1.242 1461 A HN 1.128 nan 8.150 nan 0.000 0.421 1462 A N 4.957 127.828 122.820 0.084 0.000 2.341 1462 A HA 0.697 5.017 4.320 -0.000 0.000 0.326 1462 A C -1.301 176.318 177.584 0.059 0.000 1.402 1462 A CA -1.568 50.510 52.037 0.068 0.000 0.957 1462 A CB 0.172 19.210 19.000 0.064 0.000 1.151 1462 A HN 0.550 nan 8.150 nan 0.000 0.533 1463 P HA -0.167 nan 4.420 nan 0.000 0.221 1463 P C 0.411 177.736 177.300 0.041 0.000 1.145 1463 P CA 1.076 64.203 63.100 0.046 0.000 0.795 1463 P CB 0.387 32.110 31.700 0.039 0.000 0.775 1464 E N -0.168 120.055 120.200 0.038 0.000 2.232 1464 E HA 0.108 4.458 4.350 -0.000 0.000 0.265 1464 E C 0.666 177.285 176.600 0.031 0.000 1.001 1464 E CA -0.618 55.800 56.400 0.031 0.000 0.870 1464 E CB 0.955 30.671 29.700 0.026 0.000 1.175 1464 E HN -0.115 nan 8.360 nan 0.000 0.407 1465 N N 1.578 120.292 118.700 0.023 0.000 2.250 1465 N HA -0.018 4.722 4.740 -0.000 0.000 0.181 1465 N C 0.841 176.357 175.510 0.009 0.000 1.017 1465 N CA 0.467 53.528 53.050 0.018 0.000 0.866 1465 N CB 0.083 38.579 38.487 0.014 0.000 0.985 1465 N HN 0.425 nan 8.380 nan 0.000 0.429 1466 I N 1.764 122.338 120.570 0.007 0.000 3.112 1466 I HA -0.025 4.145 4.170 -0.000 0.000 0.284 1466 I C 1.066 177.184 176.117 0.003 0.000 1.227 1466 I CA 0.639 61.937 61.300 -0.002 0.000 1.369 1466 I CB 0.306 38.304 38.000 -0.003 0.000 1.376 1466 I HN 0.173 nan 8.210 nan 0.000 0.608 1467 S N 3.123 118.818 115.700 -0.009 0.000 2.648 1467 S HA 0.308 4.778 4.470 -0.000 0.000 0.266 1467 S C -2.997 171.586 174.600 -0.029 0.000 1.046 1467 S CA -1.173 57.028 58.200 0.001 0.000 0.913 1467 S CB 0.355 63.572 63.200 0.029 0.000 1.179 1467 S HN 0.540 nan 8.310 nan 0.000 0.476 1468 P HA 0.271 nan 4.420 nan 0.000 0.268 1468 P C 0.226 177.489 177.300 -0.063 0.000 1.204 1468 P CA 0.034 63.067 63.100 -0.112 0.000 0.768 1468 P CB 0.779 32.371 31.700 -0.180 0.000 0.842 1469 E N 2.491 122.636 120.200 -0.090 0.000 2.299 1469 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 1469 E C 0.729 177.343 176.600 0.023 0.000 0.998 1469 E CA -0.070 56.305 56.400 -0.041 0.000 0.851 1469 E CB 0.241 29.937 29.700 -0.007 0.000 0.795 1469 E HN 0.341 nan 8.360 nan 0.000 0.492 1470 R N 0.342 120.855 120.500 0.021 0.000 2.248 1470 R HA 0.336 4.676 4.340 -0.000 0.000 0.328 1470 R C -0.161 176.307 176.300 0.279 0.000 1.067 1470 R CA 0.783 56.972 56.100 0.149 0.000 0.924 1470 R CB 0.511 30.900 30.300 0.149 0.000 1.013 1470 R HN 0.281 nan 8.270 nan 0.000 0.454 1471 G N 1.956 110.866 108.800 0.182 0.000 2.409 1471 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.421 1471 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.421 1471 G C -0.919 174.007 174.900 0.043 0.000 1.259 1471 G CA -0.712 44.465 45.100 0.128 0.000 1.011 1471 G HN 0.541 nan 8.290 nan 0.000 0.497 1472 T N 0.807 115.348 114.554 -0.021 0.000 2.909 1472 T HA 0.680 5.030 4.350 -0.000 0.000 0.289 1472 T C -0.013 174.586 174.700 -0.169 0.000 1.005 1472 T CA 0.514 62.531 62.100 -0.138 0.000 1.084 1472 T CB 1.409 70.121 68.868 -0.259 0.000 0.975 1472 T HN 0.798 nan 8.240 nan 0.000 0.509 1473 T N 2.698 117.123 114.554 -0.216 0.000 2.928 1473 T HA 0.390 4.740 4.350 -0.000 0.000 0.296 1473 T C -1.315 173.353 174.700 -0.054 0.000 1.000 1473 T CA -0.446 61.577 62.100 -0.129 0.000 0.989 1473 T CB 0.599 69.405 68.868 -0.103 0.000 1.005 1473 T HN 0.543 nan 8.240 nan 0.000 0.442 1474 Y N 2.430 122.698 120.300 -0.053 0.000 2.464 1474 Y HA 0.384 4.934 4.550 -0.000 0.000 0.326 1474 Y C 0.542 176.416 175.900 -0.042 0.000 0.969 1474 Y CA -1.123 56.916 58.100 -0.102 0.000 1.270 1474 Y CB 1.195 39.555 38.460 -0.166 0.000 1.103 1474 Y HN 0.348 nan 8.280 nan 0.000 0.491 1475 K N 4.041 124.501 120.400 0.100 0.000 2.297 1475 K HA 0.378 4.698 4.320 -0.000 0.000 0.286 1475 K C -1.386 175.234 176.600 0.033 0.000 1.053 1475 K CA -0.492 55.829 56.287 0.057 0.000 0.940 1475 K CB 0.569 33.085 32.500 0.026 0.000 1.019 1475 K HN 0.504 nan 8.250 nan 0.000 0.475 1476 L N 4.039 125.304 121.223 0.070 0.000 2.331 1476 L HA 0.471 4.811 4.340 -0.000 0.000 0.275 1476 L C -0.837 176.056 176.870 0.040 0.000 1.022 1476 L CA -0.677 54.203 54.840 0.066 0.000 0.812 1476 L CB 2.014 44.165 42.059 0.154 0.000 1.257 1476 L HN 0.289 nan 8.230 nan 0.000 0.435 1477 V N 2.435 122.356 119.914 0.012 0.000 2.509 1477 V HA 0.356 4.476 4.120 -0.000 0.000 0.289 1477 V C -0.187 175.868 176.094 -0.065 0.000 1.026 1477 V CA -0.756 61.544 62.300 -0.000 0.000 0.872 1477 V CB 1.577 33.421 31.823 0.035 0.000 1.017 1477 V HN 0.696 nan 8.190 nan 0.000 0.436 1478 R N 4.601 125.062 120.500 -0.066 0.000 2.343 1478 R HA 0.350 4.690 4.340 -0.000 0.000 0.326 1478 R C -0.088 176.177 176.300 -0.058 0.000 1.055 1478 R CA 0.156 56.199 56.100 -0.094 0.000 0.961 1478 R CB 0.335 30.600 30.300 -0.059 0.000 0.978 1478 R HN 0.619 nan 8.270 nan 0.000 0.443 1479 K N 3.953 124.320 120.400 -0.055 0.000 2.185 1479 K HA 0.408 4.728 4.320 -0.000 0.000 0.240 1479 K C -0.754 175.903 176.600 0.096 0.000 0.983 1479 K CA -1.019 55.289 56.287 0.035 0.000 0.873 1479 K CB 1.367 33.925 32.500 0.097 0.000 1.118 1479 K HN 0.359 nan 8.250 nan 0.000 0.441 1480 I N 2.115 122.727 120.570 0.069 0.000 2.411 1480 I HA 0.230 4.400 4.170 -0.000 0.000 0.284 1480 I C -1.253 174.874 176.117 0.018 0.000 1.012 1480 I CA -0.474 60.851 61.300 0.041 0.000 1.119 1480 I CB 1.294 39.302 38.000 0.014 0.000 1.261 1480 I HN 0.273 nan 8.210 nan 0.000 0.448 1481 L N 6.938 128.154 121.223 -0.011 0.000 2.377 1481 L HA 0.839 5.178 4.340 -0.000 0.000 0.270 1481 L C 0.586 177.416 176.870 -0.067 0.000 0.991 1481 L CA -0.215 54.584 54.840 -0.069 0.000 0.851 1481 L CB 1.001 42.954 42.059 -0.177 0.000 1.218 1481 L HN 0.814 nan 8.230 nan 0.000 0.420 1482 A N 4.096 126.886 122.820 -0.049 0.000 2.800 1482 A HA -0.212 4.107 4.320 -0.000 0.000 0.292 1482 A C 0.801 178.364 177.584 -0.036 0.000 1.474 1482 A CA 0.869 52.881 52.037 -0.043 0.000 0.744 1482 A CB -2.449 16.519 19.000 -0.053 0.000 1.044 1482 A HN 1.040 nan 8.150 nan 0.000 0.489 1483 N N -1.309 117.376 118.700 -0.026 0.000 2.714 1483 N HA -0.187 4.552 4.740 -0.000 0.000 0.252 1483 N C -0.152 175.345 175.510 -0.022 0.000 1.014 1483 N CA 1.891 54.930 53.050 -0.019 0.000 0.735 1483 N CB -0.665 37.811 38.487 -0.017 0.000 0.924 1483 N HN 1.020 nan 8.380 nan 0.000 0.540 1484 Q N -0.031 119.755 119.800 -0.024 0.000 2.347 1484 Q HA 0.209 4.549 4.340 -0.000 0.000 0.271 1484 Q C -0.461 175.541 176.000 0.005 0.000 1.064 1484 Q CA -0.684 55.103 55.803 -0.028 0.000 0.800 1484 Q CB 1.793 30.495 28.738 -0.059 0.000 1.304 1484 Q HN 0.063 nan 8.270 nan 0.000 0.438 1485 E N 1.353 121.556 120.200 0.006 0.000 2.438 1485 E HA -0.033 4.317 4.350 -0.000 0.000 0.261 1485 E C -0.965 175.697 176.600 0.103 0.000 1.103 1485 E CA 0.699 57.113 56.400 0.024 0.000 0.959 1485 E CB 0.490 30.187 29.700 -0.006 0.000 0.958 1485 E HN 0.490 nan 8.360 nan 0.000 0.447 1486 Y N 0.275 120.509 120.300 -0.110 0.000 2.266 1486 Y HA 0.122 4.672 4.550 -0.000 0.000 0.321 1486 Y C -1.426 174.392 175.900 -0.137 0.000 1.194 1486 Y CA -0.414 57.623 58.100 -0.106 0.000 1.430 1486 Y CB -0.227 38.201 38.460 -0.053 0.000 1.240 1486 Y HN 0.188 nan 8.280 nan 0.000 0.420 1487 V N 4.582 124.161 119.914 -0.558 0.000 2.811 1487 V HA 0.134 4.254 4.120 -0.000 0.000 0.302 1487 V C -0.209 175.540 176.094 -0.574 0.000 1.063 1487 V CA 0.075 62.009 62.300 -0.610 0.000 1.088 1487 V CB 0.749 31.930 31.823 -1.071 0.000 0.982 1487 V HN 0.731 nan 8.190 nan 0.000 0.485 1488 H N 2.259 121.054 119.070 -0.458 0.000 2.708 1488 H HA 0.599 5.154 4.556 -0.000 0.000 0.320 1488 H C -0.678 174.536 175.328 -0.190 0.000 0.991 1488 H CA -0.285 55.545 56.048 -0.362 0.000 1.243 1488 H CB 1.340 30.930 29.762 -0.287 0.000 1.446 1488 H HN 0.442 nan 8.280 nan 0.000 0.502 1489 V N 5.467 125.156 119.914 -0.375 0.000 2.716 1489 V HA 0.518 4.638 4.120 -0.000 0.000 0.304 1489 V C -0.365 175.489 176.094 -0.400 0.000 1.053 1489 V CA -0.664 61.422 62.300 -0.356 0.000 0.984 1489 V CB 1.806 33.348 31.823 -0.468 0.000 1.021 1489 V HN 0.556 nan 8.190 nan 0.000 0.467 1490 V N 1.819 121.566 119.914 -0.279 0.000 2.777 1490 V HA 0.717 4.837 4.120 -0.000 0.000 0.306 1490 V C 0.245 176.317 176.094 -0.037 0.000 1.112 1490 V CA -0.430 61.769 62.300 -0.169 0.000 0.917 1490 V CB 1.879 33.644 31.823 -0.096 0.000 1.018 1490 V HN 1.005 nan 8.190 nan 0.000 0.426 1491 G N 3.293 112.101 108.800 0.013 0.000 2.389 1491 G HA2 0.805 4.764 3.960 -0.000 0.000 0.328 1491 G HA3 0.805 4.764 3.960 -0.000 0.000 0.328 1491 G C -1.242 173.709 174.900 0.084 0.000 1.133 1491 G CA -0.594 44.610 45.100 0.173 0.000 0.891 1491 G HN 0.615 nan 8.290 nan 0.000 0.485 1492 L N 1.389 122.637 121.223 0.041 0.000 2.580 1492 L HA 0.501 4.840 4.340 -0.000 0.000 0.266 1492 L C -0.553 176.309 176.870 -0.013 0.000 0.955 1492 L CA -0.804 54.037 54.840 0.001 0.000 0.886 1492 L CB 2.319 44.288 42.059 -0.149 0.000 1.263 1492 L HN 0.846 nan 8.230 nan 0.000 0.406 1493 K N 0.931 121.399 120.400 0.113 0.000 2.556 1493 K HA 0.847 5.166 4.320 -0.000 0.000 0.274 1493 K C 0.218 176.955 176.600 0.229 0.000 0.966 1493 K CA -0.205 56.154 56.287 0.119 0.000 0.865 1493 K CB 2.371 34.890 32.500 0.031 0.000 1.444 1493 K HN 0.501 nan 8.250 nan 0.000 0.433 1494 G N 0.445 109.366 108.800 0.202 0.000 2.259 1494 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 1494 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 1494 G C -0.498 174.498 174.900 0.160 0.000 1.001 1494 G CA -0.276 44.912 45.100 0.146 0.000 0.627 1494 G HN 0.417 nan 8.290 nan 0.000 0.501 1495 F N 2.360 122.316 119.950 0.010 0.000 2.590 1495 F HA 0.455 4.982 4.527 -0.000 0.000 0.389 1495 F C 1.285 177.093 175.800 0.012 0.000 1.049 1495 F CA 1.547 59.552 58.000 0.008 0.000 1.199 1495 F CB 0.779 39.783 39.000 0.007 0.000 1.058 1495 F HN 0.803 nan 8.300 nan 0.000 0.556 1496 G N 0.000 108.868 108.800 0.113 0.000 5.446 1496 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1496 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1496 G CA 0.000 45.149 45.100 0.081 0.000 0.502 1496 G HN 0.000 nan 8.290 nan 0.000 0.925