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 2wgg_1_B DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.569 174.600 -0.052 0.000 1.055 2 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 2 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 3 Q N 3.685 123.454 119.800 -0.053 0.000 2.306 3 Q HA 0.543 4.883 4.340 -0.000 0.000 0.241 3 Q C -2.339 173.569 176.000 -0.153 0.000 0.948 3 Q CA -1.571 54.187 55.803 -0.075 0.000 0.886 3 Q CB -0.093 28.627 28.738 -0.030 0.000 1.227 3 Q HN 0.424 nan 8.270 nan 0.000 0.457 4 P HA 0.027 nan 4.420 nan 0.000 0.271 4 P C -0.931 176.021 177.300 -0.581 0.000 1.218 4 P CA -0.164 62.603 63.100 -0.555 0.000 0.780 4 P CB 1.059 32.184 31.700 -0.958 0.000 0.901 5 S N -0.097 115.367 115.700 -0.394 0.000 2.661 5 S HA 0.392 4.862 4.470 -0.000 0.000 0.285 5 S C 1.083 175.729 174.600 0.077 0.000 1.138 5 S CA -0.443 57.721 58.200 -0.061 0.000 0.855 5 S CB 0.886 64.107 63.200 0.035 0.000 1.136 5 S HN 0.324 nan 8.310 nan 0.000 0.484 6 T N 1.635 116.415 114.554 0.376 0.000 2.708 6 T HA -0.048 4.301 4.350 -0.000 0.000 0.266 6 T C 2.147 176.938 174.700 0.151 0.000 1.037 6 T CA 1.916 64.209 62.100 0.320 0.000 1.146 6 T CB -0.974 68.094 68.868 0.333 0.000 0.865 6 T HN 0.887 nan 8.240 nan 0.000 0.435 7 A N 2.800 125.679 122.820 0.098 0.000 1.972 7 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 7 A C 1.959 179.563 177.584 0.033 0.000 1.169 7 A CA 1.858 53.928 52.037 0.055 0.000 0.635 7 A CB -0.590 18.422 19.000 0.020 0.000 0.810 7 A HN 0.678 nan 8.150 nan 0.000 0.446 8 N N -1.631 117.075 118.700 0.010 0.000 2.336 8 N HA 0.277 5.017 4.740 -0.000 0.000 0.189 8 N C 0.934 176.434 175.510 -0.016 0.000 1.113 8 N CA 1.042 54.085 53.050 -0.012 0.000 0.858 8 N CB -0.192 38.273 38.487 -0.037 0.000 0.970 8 N HN 0.733 nan 8.380 nan 0.000 0.471 9 G N -1.386 107.418 108.800 0.005 0.000 2.159 9 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.256 9 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.256 9 G C 0.982 175.868 174.900 -0.024 0.000 0.977 9 G CA 0.292 45.402 45.100 0.016 0.000 0.652 9 G HN 0.673 nan 8.290 nan 0.000 0.531 10 G N -0.451 108.283 108.800 -0.110 0.000 2.408 10 G HA2 0.263 4.223 3.960 -0.000 0.000 0.217 10 G HA3 0.263 4.223 3.960 -0.000 0.000 0.217 10 G C 0.522 175.260 174.900 -0.270 0.000 1.150 10 G CA 0.874 45.825 45.100 -0.247 0.000 0.776 10 G HN 0.444 nan 8.290 nan 0.000 0.542 11 F N 1.878 121.841 119.950 0.020 0.000 2.421 11 F HA 0.436 4.963 4.527 -0.000 0.000 0.337 11 F C -1.727 174.078 175.800 0.008 0.000 1.105 11 F CA -3.464 54.529 58.000 -0.013 0.000 1.049 11 F CB 1.392 40.402 39.000 0.016 0.000 1.139 11 F HN -0.142 nan 8.300 nan 0.000 0.479 12 P HA -0.021 nan 4.420 nan 0.000 0.268 12 P C -0.291 177.099 177.300 0.149 0.000 1.208 12 P CA -0.134 63.035 63.100 0.115 0.000 0.777 12 P CB 0.848 32.580 31.700 0.054 0.000 0.875 13 S N 1.230 117.017 115.700 0.144 0.000 2.531 13 S HA 0.257 4.727 4.470 -0.000 0.000 0.279 13 S C -0.308 174.387 174.600 0.159 0.000 1.305 13 S CA -0.481 57.823 58.200 0.172 0.000 1.058 13 S CB -0.280 63.016 63.200 0.160 0.000 0.899 13 S HN 0.228 nan 8.310 nan 0.000 0.493 14 V N 6.112 126.145 119.914 0.199 0.000 2.531 14 V HA 0.601 4.721 4.120 -0.000 0.000 0.301 14 V C -0.078 176.122 176.094 0.176 0.000 1.034 14 V CA -0.665 61.743 62.300 0.180 0.000 0.865 14 V CB 1.592 33.567 31.823 0.254 0.000 0.995 14 V HN 0.892 nan 8.190 nan 0.000 0.424 15 V N 2.801 122.790 119.914 0.125 0.000 2.960 15 V HA 0.772 4.892 4.120 -0.000 0.000 0.315 15 V C -0.467 175.672 176.094 0.075 0.000 1.087 15 V CA -0.909 61.449 62.300 0.097 0.000 0.982 15 V CB 2.078 33.907 31.823 0.009 0.000 1.039 15 V HN 0.447 nan 8.190 nan 0.000 0.437 16 V N 2.806 122.761 119.914 0.069 0.000 2.364 16 V HA 0.384 4.503 4.120 -0.000 0.000 0.272 16 V C 1.306 177.380 176.094 -0.033 0.000 1.036 16 V CA 0.626 62.955 62.300 0.048 0.000 0.880 16 V CB 0.893 32.762 31.823 0.076 0.000 0.991 16 V HN 1.192 nan 8.190 nan 0.000 0.460 17 T N 1.000 115.527 114.554 -0.045 0.000 3.001 17 T HA 0.601 4.951 4.350 -0.000 0.000 0.251 17 T C 0.400 175.046 174.700 -0.091 0.000 1.040 17 T CA 0.488 62.536 62.100 -0.088 0.000 0.985 17 T CB 0.579 69.392 68.868 -0.093 0.000 1.011 17 T HN 0.936 nan 8.240 nan 0.000 0.509 18 A N 0.856 123.636 122.820 -0.068 0.000 2.604 18 A HA 0.737 5.057 4.320 -0.000 0.000 0.295 18 A C -1.154 176.404 177.584 -0.044 0.000 1.067 18 A CA -0.621 51.377 52.037 -0.066 0.000 0.683 18 A CB 1.613 20.567 19.000 -0.076 0.000 1.281 18 A HN 1.003 nan 8.150 nan 0.000 0.407 19 V N -1.767 118.117 119.914 -0.051 0.000 2.971 19 V HA 0.977 5.097 4.120 -0.000 0.000 0.309 19 V C -0.496 175.580 176.094 -0.031 0.000 1.130 19 V CA -0.241 62.031 62.300 -0.047 0.000 0.964 19 V CB 1.383 33.148 31.823 -0.095 0.000 1.029 19 V HN 1.486 nan 8.190 nan 0.000 0.427 20 T N 1.500 116.044 114.554 -0.015 0.000 2.916 20 T HA 0.888 5.238 4.350 -0.000 0.000 0.305 20 T C -0.869 173.828 174.700 -0.005 0.000 1.119 20 T CA 0.346 62.443 62.100 -0.006 0.000 1.008 20 T CB 1.557 70.431 68.868 0.011 0.000 1.129 20 T HN 2.169 nan 8.240 nan 0.000 0.480 21 A N 2.135 124.954 122.820 -0.001 0.000 2.589 21 A HA 0.736 5.056 4.320 -0.000 0.000 0.296 21 A C -0.597 176.997 177.584 0.015 0.000 1.062 21 A CA -0.655 51.386 52.037 0.007 0.000 0.686 21 A CB 1.970 20.975 19.000 0.009 0.000 1.282 21 A HN 0.769 nan 8.150 nan 0.000 0.404 22 T N 0.610 115.175 114.554 0.019 0.000 2.829 22 T HA 0.779 5.129 4.350 -0.000 0.000 0.280 22 T C -0.495 174.236 174.700 0.052 0.000 0.999 22 T CA 0.024 62.142 62.100 0.030 0.000 0.983 22 T CB 1.129 70.005 68.868 0.012 0.000 0.968 22 T HN 0.866 nan 8.240 nan 0.000 0.446 23 T N 1.412 116.006 114.554 0.067 0.000 2.843 23 T HA 0.358 4.708 4.350 -0.000 0.000 0.302 23 T C 1.239 175.993 174.700 0.091 0.000 1.232 23 T CA -0.252 61.892 62.100 0.074 0.000 1.009 23 T CB 1.534 70.446 68.868 0.074 0.000 1.254 23 T HN 0.654 nan 8.240 nan 0.000 0.504 24 S N 0.562 116.316 115.700 0.090 0.000 2.507 24 S HA 0.043 4.513 4.470 -0.000 0.000 0.235 24 S C 1.693 176.362 174.600 0.115 0.000 0.988 24 S CA 0.652 58.919 58.200 0.111 0.000 0.944 24 S CB -0.455 62.791 63.200 0.077 0.000 0.762 24 S HN 0.620 nan 8.310 nan 0.000 0.526 25 I N 0.126 120.752 120.570 0.095 0.000 2.628 25 I HA 0.165 4.335 4.170 -0.000 0.000 0.255 25 I C 1.133 177.301 176.117 0.084 0.000 1.119 25 I CA 0.440 61.793 61.300 0.088 0.000 1.448 25 I CB 0.300 38.348 38.000 0.080 0.000 1.133 25 I HN 0.328 nan 8.210 nan 0.000 0.438 26 S N -0.961 114.790 115.700 0.084 0.000 2.565 26 S HA 0.345 4.815 4.470 -0.000 0.000 0.269 26 S C -2.297 172.347 174.600 0.073 0.000 1.153 26 S CA -0.997 57.250 58.200 0.078 0.000 0.835 26 S CB 1.727 64.972 63.200 0.075 0.000 1.122 26 S HN -0.210 nan 8.310 nan 0.000 0.462 27 P HA 0.115 nan 4.420 nan 0.000 0.229 27 P C -0.265 177.057 177.300 0.037 0.000 1.160 27 P CA 0.712 63.842 63.100 0.050 0.000 0.777 27 P CB -0.230 31.506 31.700 0.060 0.000 0.814 28 D N -0.351 120.079 120.400 0.049 0.000 2.344 28 D HA 0.109 4.749 4.640 -0.000 0.000 0.239 28 D C 0.947 177.281 176.300 0.057 0.000 1.064 28 D CA -0.779 53.248 54.000 0.045 0.000 0.829 28 D CB 0.826 41.656 40.800 0.050 0.000 1.129 28 D HN -0.289 nan 8.370 nan 0.000 0.506 29 I N 3.455 124.050 120.570 0.043 0.000 2.208 29 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 29 I C 1.611 177.784 176.117 0.094 0.000 1.097 29 I CA 1.677 63.007 61.300 0.049 0.000 1.363 29 I CB -0.036 37.962 38.000 -0.004 0.000 1.051 29 I HN 0.475 nan 8.210 nan 0.000 0.413 30 E N 0.025 120.273 120.200 0.080 0.000 2.153 30 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 30 E C 2.358 179.063 176.600 0.175 0.000 0.988 30 E CA 1.283 57.764 56.400 0.135 0.000 0.811 30 E CB -0.360 29.393 29.700 0.088 0.000 0.746 30 E HN 0.487 nan 8.360 nan 0.000 0.466 31 S N 0.230 116.002 115.700 0.121 0.000 2.371 31 S HA -0.078 4.392 4.470 -0.000 0.000 0.224 31 S C 2.093 176.762 174.600 0.115 0.000 1.029 31 S CA 1.209 59.470 58.200 0.102 0.000 0.978 31 S CB -0.175 63.071 63.200 0.075 0.000 0.833 31 S HN 0.270 nan 8.310 nan 0.000 0.466 32 T N 1.408 116.041 114.554 0.132 0.000 2.684 32 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 32 T C 1.326 176.146 174.700 0.199 0.000 1.036 32 T CA 1.273 63.460 62.100 0.144 0.000 1.148 32 T CB -0.358 68.597 68.868 0.144 0.000 0.863 32 T HN 0.599 nan 8.240 nan 0.000 0.436 33 W N 2.026 123.333 121.300 0.011 0.000 2.333 33 W HA -0.208 4.451 4.660 -0.000 0.000 0.316 33 W C 2.118 178.633 176.519 -0.006 0.000 1.215 33 W CA 1.374 58.717 57.345 -0.002 0.000 1.278 33 W CB -0.197 29.256 29.460 -0.012 0.000 1.154 33 W HN 0.265 nan 8.180 nan 0.000 0.486 34 K N -0.218 120.187 120.400 0.010 0.000 2.074 34 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 34 K C 2.266 178.807 176.600 -0.099 0.000 1.048 34 K CA 1.730 57.961 56.287 -0.094 0.000 0.926 34 K CB -1.014 31.489 32.500 0.006 0.000 0.713 34 K HN 0.279 nan 8.250 nan 0.000 0.444 35 G N 1.591 110.375 108.800 -0.027 0.000 2.446 35 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 35 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 35 G C 1.502 176.373 174.900 -0.048 0.000 1.168 35 G CA 0.799 45.889 45.100 -0.016 0.000 0.771 35 G HN 0.102 nan 8.290 nan 0.000 0.551 36 L N -0.052 121.133 121.223 -0.063 0.000 2.012 36 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 36 L C 2.934 179.671 176.870 -0.222 0.000 1.073 36 L CA 0.819 55.604 54.840 -0.092 0.000 0.748 36 L CB -0.534 41.498 42.059 -0.045 0.000 0.891 36 L HN 0.182 nan 8.230 nan 0.000 0.431 37 L N -0.268 120.723 121.223 -0.387 0.000 2.191 37 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 37 L C 2.586 179.335 176.870 -0.202 0.000 1.103 37 L CA 0.944 55.547 54.840 -0.396 0.000 0.769 37 L CB -0.681 41.066 42.059 -0.520 0.000 0.908 37 L HN 0.239 nan 8.230 nan 0.000 0.438 38 A N -0.323 122.415 122.820 -0.137 0.000 2.235 38 A HA 0.274 4.594 4.320 -0.000 0.000 0.208 38 A C 1.768 179.325 177.584 -0.046 0.000 1.172 38 A CA 0.747 52.742 52.037 -0.071 0.000 0.786 38 A CB -0.516 18.456 19.000 -0.045 0.000 0.804 38 A HN 0.528 nan 8.150 nan 0.000 0.479 39 G N -0.532 108.236 108.800 -0.054 0.000 2.136 39 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.242 39 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.242 39 G C -0.203 174.699 174.900 0.003 0.000 0.989 39 G CA 0.232 45.319 45.100 -0.020 0.000 0.682 39 G HN 0.643 nan 8.290 nan 0.000 0.522 40 E N 0.499 120.701 120.200 0.002 0.000 2.354 40 E HA 0.461 4.810 4.350 -0.000 0.000 0.269 40 E C 0.309 176.930 176.600 0.035 0.000 1.036 40 E CA 0.376 56.788 56.400 0.021 0.000 0.876 40 E CB 1.300 31.012 29.700 0.021 0.000 1.009 40 E HN 0.231 nan 8.360 nan 0.000 0.416 41 S N 0.926 116.650 115.700 0.040 0.000 2.549 41 S HA 0.455 4.925 4.470 -0.000 0.000 0.297 41 S C 0.720 175.351 174.600 0.051 0.000 1.115 41 S CA -0.417 57.808 58.200 0.042 0.000 1.059 41 S CB 1.475 64.697 63.200 0.035 0.000 1.046 41 S HN 0.590 nan 8.310 nan 0.000 0.506 42 G N 2.870 111.697 108.800 0.045 0.000 3.042 42 G HA2 0.191 4.151 3.960 -0.000 0.000 0.212 42 G HA3 0.191 4.151 3.960 -0.000 0.000 0.212 42 G C 0.251 175.165 174.900 0.023 0.000 1.166 42 G CA -0.062 45.073 45.100 0.058 0.000 0.767 42 G HN 0.605 nan 8.290 nan 0.000 0.546 43 I N 2.111 122.671 120.570 -0.015 0.000 2.395 43 I HA 0.376 4.546 4.170 -0.000 0.000 0.289 43 I C 0.326 176.410 176.117 -0.055 0.000 1.023 43 I CA -0.864 60.369 61.300 -0.112 0.000 1.350 43 I CB 0.423 38.381 38.000 -0.070 0.000 1.409 43 I HN 0.385 nan 8.210 nan 0.000 0.507 44 H N 3.241 122.315 119.070 0.007 0.000 2.960 44 H HA 0.847 5.403 4.556 -0.000 0.000 0.303 44 H C -0.652 174.680 175.328 0.007 0.000 1.412 44 H CA -1.190 54.866 56.048 0.013 0.000 1.227 44 H CB 0.609 30.388 29.762 0.027 0.000 1.912 44 H HN 0.574 nan 8.280 nan 0.000 0.583 45 A N 1.152 124.131 122.820 0.265 0.000 2.401 45 A HA 0.399 4.719 4.320 -0.000 0.000 0.259 45 A C -0.072 177.672 177.584 0.266 0.000 1.103 45 A CA -0.697 51.445 52.037 0.175 0.000 0.789 45 A CB -0.315 18.747 19.000 0.104 0.000 1.035 45 A HN 0.580 nan 8.150 nan 0.000 0.491 46 L N 2.311 123.635 121.223 0.168 0.000 2.410 46 L HA 0.170 4.510 4.340 -0.000 0.000 0.273 46 L C 0.753 177.670 176.870 0.079 0.000 1.152 46 L CA 0.002 54.937 54.840 0.158 0.000 0.855 46 L CB 0.494 42.638 42.059 0.141 0.000 1.129 46 L HN 0.813 nan 8.230 nan 0.000 0.463 47 E N 0.733 120.959 120.200 0.043 0.000 2.541 47 E HA 0.070 4.420 4.350 -0.000 0.000 0.219 47 E C -0.387 176.141 176.600 -0.120 0.000 0.922 47 E CA -0.043 56.342 56.400 -0.025 0.000 1.095 47 E CB 0.440 30.127 29.700 -0.023 0.000 1.112 47 E HN 0.704 nan 8.360 nan 0.000 0.516 48 D N 2.488 122.746 120.400 -0.236 0.000 2.586 48 D HA -0.067 4.573 4.640 -0.000 0.000 0.234 48 D C 1.027 177.062 176.300 -0.442 0.000 1.132 48 D CA 0.409 54.094 54.000 -0.524 0.000 0.860 48 D CB 0.744 40.756 40.800 -1.312 0.000 1.159 48 D HN -0.203 nan 8.370 nan 0.000 0.490 49 E N 1.731 121.788 120.200 -0.237 0.000 2.516 49 E HA -0.091 4.258 4.350 -0.000 0.000 0.199 49 E C 1.437 178.043 176.600 0.010 0.000 1.069 49 E CA 0.125 56.470 56.400 -0.091 0.000 0.876 49 E CB -0.070 29.599 29.700 -0.050 0.000 0.843 49 E HN 0.626 nan 8.360 nan 0.000 0.530 50 F N -1.591 118.419 119.950 0.100 0.000 2.604 50 F HA -0.022 4.505 4.527 -0.000 0.000 0.298 50 F C 1.712 177.648 175.800 0.226 0.000 1.131 50 F CA 0.060 58.166 58.000 0.177 0.000 1.457 50 F CB -1.148 38.071 39.000 0.366 0.000 1.095 50 F HN -0.191 nan 8.300 nan 0.000 0.574 51 V N 0.149 120.318 119.914 0.425 0.000 2.379 51 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 51 V C 2.558 178.806 176.094 0.257 0.000 1.044 51 V CA 2.356 64.896 62.300 0.401 0.000 1.036 51 V CB -0.785 31.168 31.823 0.216 0.000 0.664 51 V HN 0.571 nan 8.190 nan 0.000 0.453 52 T N -1.231 113.410 114.554 0.144 0.000 3.009 52 T HA -0.092 4.258 4.350 -0.000 0.000 0.258 52 T C 1.958 176.678 174.700 0.034 0.000 1.063 52 T CA 1.145 63.294 62.100 0.082 0.000 1.139 52 T CB -0.091 68.799 68.868 0.037 0.000 0.890 52 T HN 0.434 nan 8.240 nan 0.000 0.471 53 K N -0.794 119.600 120.400 -0.009 0.000 2.127 53 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 53 K C 1.277 177.669 176.600 -0.347 0.000 1.047 53 K CA 1.675 57.829 56.287 -0.221 0.000 0.927 53 K CB -0.169 32.159 32.500 -0.287 0.000 0.716 53 K HN 0.535 nan 8.250 nan 0.000 0.450 54 W N 0.642 122.015 121.300 0.122 0.000 3.008 54 W HA 0.132 4.792 4.660 -0.000 0.000 0.355 54 W C -0.306 176.254 176.519 0.069 0.000 1.095 54 W CA -0.752 56.643 57.345 0.083 0.000 1.738 54 W CB 0.655 30.156 29.460 0.067 0.000 1.091 54 W HN 0.058 nan 8.180 nan 0.000 0.574 55 D N 2.127 122.675 120.400 0.248 0.000 2.894 55 D HA -0.195 4.445 4.640 -0.000 0.000 0.216 55 D C -0.181 176.231 176.300 0.186 0.000 1.245 55 D CA 0.841 54.948 54.000 0.178 0.000 0.728 55 D CB -0.751 40.119 40.800 0.117 0.000 0.924 55 D HN 0.120 nan 8.370 nan 0.000 0.395 56 L N 0.589 121.939 121.223 0.212 0.000 2.426 56 L HA 0.285 4.625 4.340 -0.000 0.000 0.271 56 L C 1.976 178.904 176.870 0.097 0.000 1.169 56 L CA -0.056 54.875 54.840 0.153 0.000 0.836 56 L CB 0.796 42.966 42.059 0.185 0.000 1.112 56 L HN 0.266 nan 8.230 nan 0.000 0.465 57 A N 3.349 126.201 122.820 0.053 0.000 2.066 57 A HA 0.085 4.404 4.320 -0.000 0.000 0.218 57 A C 0.704 178.293 177.584 0.009 0.000 1.157 57 A CA 0.521 52.573 52.037 0.024 0.000 0.670 57 A CB -0.053 18.948 19.000 0.001 0.000 0.804 57 A HN 0.401 nan 8.150 nan 0.000 0.453 58 V N 0.398 120.320 119.914 0.012 0.000 2.370 58 V HA 0.282 4.402 4.120 -0.000 0.000 0.283 58 V C 0.152 176.281 176.094 0.059 0.000 1.023 58 V CA -0.390 61.907 62.300 -0.006 0.000 0.857 58 V CB 1.295 33.076 31.823 -0.069 0.000 0.985 58 V HN 0.421 nan 8.190 nan 0.000 0.443 59 K N 5.375 125.804 120.400 0.048 0.000 2.592 59 K HA 0.459 4.779 4.320 -0.000 0.000 0.203 59 K C -0.270 176.367 176.600 0.061 0.000 1.070 59 K CA -0.046 56.291 56.287 0.083 0.000 1.062 59 K CB 0.654 33.197 32.500 0.072 0.000 0.814 59 K HN 0.762 nan 8.250 nan 0.000 0.502 60 I N -3.580 117.004 120.570 0.024 0.000 2.934 60 I HA 0.869 5.039 4.170 -0.000 0.000 0.306 60 I C -0.314 175.765 176.117 -0.062 0.000 1.110 60 I CA -1.041 60.249 61.300 -0.017 0.000 1.019 60 I CB 2.447 40.426 38.000 -0.035 0.000 1.227 60 I HN 0.018 nan 8.210 nan 0.000 0.434 61 G N 1.302 109.995 108.800 -0.179 0.000 2.316 61 G HA2 0.502 4.462 3.960 -0.000 0.000 0.296 61 G HA3 0.502 4.462 3.960 -0.000 0.000 0.296 61 G C -1.498 173.071 174.900 -0.551 0.000 1.399 61 G CA -0.291 44.676 45.100 -0.222 0.000 0.833 61 G HN 1.029 nan 8.290 nan 0.000 0.565 62 G N 0.017 108.577 108.800 -0.401 0.000 2.533 62 G HA2 0.583 4.543 3.960 -0.000 0.000 0.310 62 G HA3 0.583 4.543 3.960 -0.000 0.000 0.310 62 G C -0.360 174.436 174.900 -0.174 0.000 1.266 62 G CA -0.494 44.341 45.100 -0.443 0.000 0.967 62 G HN 0.595 nan 8.290 nan 0.000 0.493 63 H N 1.568 120.738 119.070 0.167 0.000 2.679 63 H HA 0.124 4.680 4.556 -0.000 0.000 0.369 63 H C 0.917 176.352 175.328 0.179 0.000 1.178 63 H CA -0.046 56.124 56.048 0.204 0.000 1.419 63 H CB 1.274 31.184 29.762 0.247 0.000 1.458 63 H HN 0.260 nan 8.280 nan 0.000 0.605 64 L N 2.016 123.404 121.223 0.274 0.000 2.525 64 L HA -0.117 4.222 4.340 -0.000 0.000 0.278 64 L C 1.802 178.784 176.870 0.186 0.000 1.218 64 L CA 0.058 55.014 54.840 0.193 0.000 0.878 64 L CB 0.333 42.495 42.059 0.172 0.000 1.127 64 L HN 0.559 nan 8.230 nan 0.000 0.492 65 K N 1.751 122.242 120.400 0.150 0.000 2.063 65 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 65 K C 0.357 177.024 176.600 0.111 0.000 1.048 65 K CA 1.442 57.805 56.287 0.125 0.000 0.928 65 K CB 0.010 32.572 32.500 0.104 0.000 0.713 65 K HN 0.551 nan 8.250 nan 0.000 0.442 66 D N 0.203 120.673 120.400 0.117 0.000 2.461 66 D HA 0.254 4.894 4.640 -0.000 0.000 0.240 66 D C -2.680 173.711 176.300 0.152 0.000 1.094 66 D CA -2.649 51.432 54.000 0.136 0.000 0.868 66 D CB 1.021 41.916 40.800 0.158 0.000 1.062 66 D HN -0.090 nan 8.370 nan 0.000 0.530 67 P HA -0.037 nan 4.420 nan 0.000 0.265 67 P C 1.218 178.629 177.300 0.186 0.000 1.193 67 P CA -0.395 62.800 63.100 0.157 0.000 0.765 67 P CB 1.063 32.834 31.700 0.119 0.000 0.823 68 V N 2.267 122.273 119.914 0.153 0.000 2.324 68 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 68 V C 1.402 177.565 176.094 0.115 0.000 1.060 68 V CA 2.116 64.447 62.300 0.051 0.000 1.042 68 V CB -0.818 30.905 31.823 -0.166 0.000 0.650 68 V HN 0.566 nan 8.190 nan 0.000 0.450 69 D N -0.174 120.304 120.400 0.130 0.000 2.363 69 D HA -0.043 4.597 4.640 -0.000 0.000 0.220 69 D C 2.204 178.559 176.300 0.091 0.000 0.994 69 D CA 1.130 55.191 54.000 0.103 0.000 0.890 69 D CB -0.074 40.795 40.800 0.115 0.000 0.906 69 D HN 0.624 nan 8.370 nan 0.000 0.530 70 S N -0.736 115.030 115.700 0.110 0.000 2.555 70 S HA -0.113 4.357 4.470 -0.000 0.000 0.230 70 S C 1.087 175.611 174.600 -0.125 0.000 0.978 70 S CA 0.546 58.741 58.200 -0.007 0.000 0.934 70 S CB -0.324 62.852 63.200 -0.041 0.000 0.766 70 S HN 0.287 nan 8.310 nan 0.000 0.533 71 H N 0.090 119.162 119.070 0.004 0.000 2.594 71 H HA 0.471 5.027 4.556 -0.000 0.000 0.279 71 H C -0.143 175.180 175.328 -0.007 0.000 1.042 71 H CA -0.150 55.897 56.048 -0.001 0.000 1.177 71 H CB 0.255 30.014 29.762 -0.005 0.000 1.524 71 H HN 0.321 nan 8.280 nan 0.000 0.537 72 M N 0.737 120.387 119.600 0.083 0.000 2.243 72 M HA 0.396 4.876 4.480 -0.000 0.000 0.324 72 M C 0.792 177.108 176.300 0.026 0.000 1.031 72 M CA -0.465 54.862 55.300 0.046 0.000 0.949 72 M CB 1.691 34.311 32.600 0.032 0.000 1.615 72 M HN 0.246 nan 8.290 nan 0.000 0.430 73 G N 1.833 110.645 108.800 0.019 0.000 2.543 73 G HA2 0.391 4.351 3.960 -0.000 0.000 0.290 73 G HA3 0.391 4.351 3.960 -0.000 0.000 0.290 73 G C 0.780 175.688 174.900 0.013 0.000 1.310 73 G CA -0.419 44.689 45.100 0.013 0.000 1.025 73 G HN 0.793 nan 8.290 nan 0.000 0.502 74 R N -1.227 119.279 120.500 0.011 0.000 2.091 74 R HA -0.052 4.288 4.340 -0.000 0.000 0.238 74 R C 2.472 178.779 176.300 0.012 0.000 1.136 74 R CA 0.990 57.097 56.100 0.012 0.000 0.959 74 R CB -0.368 29.938 30.300 0.010 0.000 0.856 74 R HN 0.471 nan 8.270 nan 0.000 0.437 75 L N 0.618 121.847 121.223 0.009 0.000 2.027 75 L HA -0.207 4.133 4.340 -0.000 0.000 0.206 75 L C 1.442 178.316 176.870 0.006 0.000 1.074 75 L CA 1.620 56.464 54.840 0.007 0.000 0.745 75 L CB -0.311 41.751 42.059 0.004 0.000 0.898 75 L HN 0.189 nan 8.230 nan 0.000 0.433 76 D N -0.566 119.837 120.400 0.006 0.000 2.144 76 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 76 D C 2.240 178.544 176.300 0.008 0.000 0.978 76 D CA 0.938 54.940 54.000 0.002 0.000 0.833 76 D CB -0.018 40.782 40.800 0.000 0.000 0.961 76 D HN 0.206 nan 8.370 nan 0.000 0.470 77 M N -0.110 119.500 119.600 0.016 0.000 2.279 77 M HA -0.082 4.397 4.480 -0.000 0.000 0.264 77 M C 2.039 178.355 176.300 0.026 0.000 1.062 77 M CA 0.974 56.290 55.300 0.026 0.000 1.099 77 M CB -0.651 31.967 32.600 0.030 0.000 1.394 77 M HN 0.022 nan 8.290 nan 0.000 0.426 78 R N 0.692 121.203 120.500 0.019 0.000 2.112 78 R HA -0.022 4.317 4.340 -0.000 0.000 0.216 78 R C 2.121 178.430 176.300 0.015 0.000 1.080 78 R CA 0.763 56.873 56.100 0.018 0.000 0.996 78 R CB 0.236 30.544 30.300 0.014 0.000 0.902 78 R HN 0.428 nan 8.270 nan 0.000 0.449 79 R N -0.896 119.610 120.500 0.010 0.000 2.397 79 R HA 0.272 4.612 4.340 -0.000 0.000 0.241 79 R C 0.001 176.303 176.300 0.004 0.000 0.914 79 R CA 0.006 56.109 56.100 0.006 0.000 1.071 79 R CB 0.485 30.785 30.300 0.000 0.000 1.116 79 R HN 0.047 nan 8.270 nan 0.000 0.524 80 M N 1.658 121.262 119.600 0.006 0.000 2.464 80 M HA 0.280 4.760 4.480 -0.000 0.000 0.308 80 M C -0.341 175.971 176.300 0.020 0.000 1.127 80 M CA -1.001 54.300 55.300 0.003 0.000 0.913 80 M CB 2.548 35.139 32.600 -0.015 0.000 1.689 80 M HN 0.134 nan 8.290 nan 0.000 0.445 81 S N 0.938 116.654 115.700 0.027 0.000 2.634 81 S HA 0.136 4.606 4.470 -0.000 0.000 0.261 81 S C 0.768 175.413 174.600 0.075 0.000 1.271 81 S CA -0.325 57.912 58.200 0.061 0.000 0.985 81 S CB 0.545 63.781 63.200 0.060 0.000 0.968 81 S HN 0.780 nan 8.310 nan 0.000 0.568 82 Y N 1.298 121.603 120.300 0.009 0.000 2.181 82 Y HA -0.142 4.407 4.550 -0.000 0.000 0.288 82 Y C 2.253 178.155 175.900 0.005 0.000 1.146 82 Y CA 2.280 60.386 58.100 0.011 0.000 1.164 82 Y CB -0.704 37.764 38.460 0.013 0.000 0.982 82 Y HN 0.523 nan 8.280 nan 0.000 0.515 83 V N -1.324 118.676 119.914 0.143 0.000 2.515 83 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 83 V C 1.883 177.948 176.094 -0.048 0.000 1.058 83 V CA 1.954 64.285 62.300 0.052 0.000 1.064 83 V CB -1.001 30.877 31.823 0.091 0.000 0.675 83 V HN 0.486 nan 8.190 nan 0.000 0.461 84 Q N 0.380 120.157 119.800 -0.039 0.000 2.050 84 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 84 Q C 2.567 178.510 176.000 -0.094 0.000 0.980 84 Q CA 2.005 57.776 55.803 -0.053 0.000 0.840 84 Q CB -0.236 28.484 28.738 -0.031 0.000 0.898 84 Q HN 0.640 nan 8.270 nan 0.000 0.424 85 R N 0.336 120.754 120.500 -0.137 0.000 2.083 85 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 85 R C 2.315 178.482 176.300 -0.221 0.000 1.137 85 R CA 1.528 57.524 56.100 -0.173 0.000 0.951 85 R CB -0.444 29.737 30.300 -0.198 0.000 0.851 85 R HN 0.326 nan 8.270 nan 0.000 0.434 86 M N 0.407 119.804 119.600 -0.339 0.000 2.106 86 M HA -0.150 4.330 4.480 -0.000 0.000 0.259 86 M C 2.080 178.301 176.300 -0.132 0.000 1.068 86 M CA 2.213 57.358 55.300 -0.259 0.000 1.100 86 M CB -0.351 32.098 32.600 -0.252 0.000 1.351 86 M HN 0.290 nan 8.290 nan 0.000 0.404 87 G N 0.011 108.751 108.800 -0.100 0.000 2.402 87 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 87 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 87 G C 1.555 176.423 174.900 -0.053 0.000 1.162 87 G CA 0.843 45.908 45.100 -0.058 0.000 0.777 87 G HN 0.468 nan 8.290 nan 0.000 0.539 88 K N -0.282 120.080 120.400 -0.065 0.000 2.002 88 K HA -0.075 4.244 4.320 -0.000 0.000 0.209 88 K C 2.456 179.028 176.600 -0.047 0.000 1.048 88 K CA 1.227 57.483 56.287 -0.052 0.000 0.930 88 K CB -0.341 32.128 32.500 -0.052 0.000 0.714 88 K HN 0.219 nan 8.250 nan 0.000 0.438 89 L N 1.918 123.098 121.223 -0.071 0.000 1.963 89 L HA -0.230 4.110 4.340 -0.000 0.000 0.220 89 L C 2.202 179.036 176.870 -0.061 0.000 1.076 89 L CA 1.745 56.534 54.840 -0.085 0.000 0.772 89 L CB -0.705 41.266 42.059 -0.147 0.000 0.892 89 L HN 0.251 nan 8.230 nan 0.000 0.435 90 L N -1.106 120.084 121.223 -0.054 0.000 2.083 90 L HA -0.120 4.219 4.340 -0.000 0.000 0.209 90 L C 2.520 179.404 176.870 0.023 0.000 1.083 90 L CA 1.103 55.931 54.840 -0.019 0.000 0.752 90 L CB -1.439 40.611 42.059 -0.015 0.000 0.899 90 L HN 0.502 nan 8.230 nan 0.000 0.433 91 G N 0.073 108.886 108.800 0.021 0.000 2.446 91 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 91 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 91 G C 1.583 176.539 174.900 0.093 0.000 1.168 91 G CA 0.826 45.958 45.100 0.053 0.000 0.771 91 G HN 0.481 nan 8.290 nan 0.000 0.551 92 G N -0.178 108.656 108.800 0.056 0.000 2.403 92 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.216 92 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.216 92 G C 1.804 176.773 174.900 0.115 0.000 1.154 92 G CA 0.971 46.124 45.100 0.087 0.000 0.784 92 G HN 0.505 nan 8.290 nan 0.000 0.538 93 Q N -0.706 119.135 119.800 0.069 0.000 2.079 93 Q HA -0.014 4.326 4.340 -0.000 0.000 0.200 93 Q C 2.465 178.512 176.000 0.079 0.000 0.974 93 Q CA 1.024 56.860 55.803 0.055 0.000 0.840 93 Q CB -0.208 28.537 28.738 0.013 0.000 0.898 93 Q HN 0.434 nan 8.270 nan 0.000 0.430 94 L N -0.095 121.192 121.223 0.107 0.000 2.027 94 L HA -0.149 4.191 4.340 -0.000 0.000 0.206 94 L C 1.944 178.907 176.870 0.154 0.000 1.074 94 L CA 1.664 56.573 54.840 0.115 0.000 0.745 94 L CB -0.562 41.583 42.059 0.143 0.000 0.898 94 L HN 0.390 nan 8.230 nan 0.000 0.433 95 W N 0.742 122.043 121.300 0.002 0.000 2.338 95 W HA -0.277 4.383 4.660 -0.000 0.000 0.304 95 W C 2.418 178.929 176.519 -0.013 0.000 1.212 95 W CA 2.003 59.344 57.345 -0.007 0.000 1.264 95 W CB -0.017 29.447 29.460 0.008 0.000 1.142 95 W HN 0.453 nan 8.180 nan 0.000 0.512 96 E N -0.076 120.214 120.200 0.151 0.000 2.077 96 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 96 E C 2.145 178.730 176.600 -0.026 0.000 0.989 96 E CA 1.966 58.397 56.400 0.051 0.000 0.800 96 E CB -0.348 29.395 29.700 0.072 0.000 0.746 96 E HN -0.039 nan 8.360 nan 0.000 0.452 97 S N 0.014 115.702 115.700 -0.020 0.000 2.399 97 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 97 S C 1.794 176.331 174.600 -0.105 0.000 1.022 97 S CA 0.892 59.063 58.200 -0.048 0.000 0.983 97 S CB -0.072 63.110 63.200 -0.029 0.000 0.803 97 S HN 0.473 nan 8.310 nan 0.000 0.480 98 A N 0.226 122.942 122.820 -0.174 0.000 2.238 98 A HA 0.472 4.792 4.320 -0.000 0.000 0.208 98 A C 1.524 178.923 177.584 -0.308 0.000 1.177 98 A CA 0.748 52.620 52.037 -0.274 0.000 0.804 98 A CB -0.723 18.018 19.000 -0.431 0.000 0.823 98 A HN 0.885 nan 8.150 nan 0.000 0.482 99 G N -1.087 107.569 108.800 -0.240 0.000 2.149 99 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.235 99 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.235 99 G C 0.401 175.157 174.900 -0.239 0.000 1.018 99 G CA 0.352 45.337 45.100 -0.192 0.000 0.728 99 G HN 1.312 nan 8.290 nan 0.000 0.508 100 S N -0.360 115.128 115.700 -0.353 0.000 3.550 100 S HA -0.151 4.319 4.470 -0.000 0.000 0.372 100 S C -1.079 173.349 174.600 -0.288 0.000 0.966 100 S CA 0.964 58.972 58.200 -0.321 0.000 1.229 100 S CB -1.010 62.214 63.200 0.039 0.000 0.917 100 S HN 1.062 nan 8.310 nan 0.000 0.496 101 P HA 0.162 nan 4.420 nan 0.000 0.269 101 P C -0.183 177.109 177.300 -0.013 0.000 1.209 101 P CA 0.094 63.006 63.100 -0.314 0.000 0.776 101 P CB 0.565 31.989 31.700 -0.460 0.000 0.876 102 E N 1.837 122.053 120.200 0.026 0.000 1.996 102 E HA 0.224 4.574 4.350 -0.000 0.000 0.280 102 E C 0.355 177.005 176.600 0.084 0.000 1.092 102 E CA -0.466 55.993 56.400 0.097 0.000 0.862 102 E CB 0.828 30.559 29.700 0.051 0.000 1.066 102 E HN 0.288 nan 8.360 nan 0.000 0.396 103 V N -0.390 119.614 119.914 0.150 0.000 3.093 103 V HA 0.412 4.532 4.120 -0.000 0.000 0.320 103 V C 0.211 176.396 176.094 0.151 0.000 1.093 103 V CA -1.156 61.235 62.300 0.151 0.000 1.016 103 V CB 1.960 33.859 31.823 0.126 0.000 1.096 103 V HN 0.269 nan 8.190 nan 0.000 0.452 104 D N 2.741 123.242 120.400 0.167 0.000 2.339 104 D HA 0.322 4.962 4.640 -0.000 0.000 0.256 104 D C -1.403 175.008 176.300 0.185 0.000 1.214 104 D CA -2.056 52.031 54.000 0.145 0.000 0.877 104 D CB 1.717 42.593 40.800 0.127 0.000 1.111 104 D HN 0.469 nan 8.370 nan 0.000 0.478 105 P HA -0.074 nan 4.420 nan 0.000 0.223 105 P C 0.272 177.661 177.300 0.149 0.000 1.151 105 P CA 0.613 63.841 63.100 0.213 0.000 0.787 105 P CB 0.509 32.289 31.700 0.133 0.000 0.788 106 D N -0.500 119.963 120.400 0.105 0.000 2.355 106 D HA -0.010 4.630 4.640 -0.000 0.000 0.218 106 D C 1.349 177.693 176.300 0.074 0.000 1.004 106 D CA 0.553 54.593 54.000 0.067 0.000 0.880 106 D CB -0.022 40.807 40.800 0.048 0.000 0.911 106 D HN 0.148 nan 8.370 nan 0.000 0.528 107 R N 0.065 120.635 120.500 0.117 0.000 2.577 107 R HA 0.154 4.494 4.340 -0.000 0.000 0.344 107 R C -0.358 176.045 176.300 0.172 0.000 1.037 107 R CA -0.447 55.717 56.100 0.108 0.000 1.102 107 R CB 0.229 30.586 30.300 0.096 0.000 1.313 107 R HN 0.016 nan 8.270 nan 0.000 0.561 108 F N 1.531 121.485 119.950 0.007 0.000 2.427 108 F HA 0.687 5.214 4.527 -0.000 0.000 0.348 108 F C -0.890 174.907 175.800 -0.006 0.000 1.125 108 F CA -2.209 55.798 58.000 0.011 0.000 0.989 108 F CB 1.173 40.202 39.000 0.049 0.000 1.165 108 F HN 0.011 nan 8.300 nan 0.000 0.442 109 A N 4.963 127.788 122.820 0.007 0.000 2.330 109 A HA 0.873 5.193 4.320 -0.000 0.000 0.329 109 A C -1.625 175.807 177.584 -0.255 0.000 1.135 109 A CA -0.707 51.220 52.037 -0.184 0.000 0.817 109 A CB 1.656 20.628 19.000 -0.047 0.000 1.269 109 A HN 0.569 nan 8.150 nan 0.000 0.469 110 V N 1.069 120.838 119.914 -0.241 0.000 2.531 110 V HA 0.522 4.642 4.120 -0.000 0.000 0.301 110 V C -0.904 175.148 176.094 -0.070 0.000 1.034 110 V CA -0.403 61.806 62.300 -0.152 0.000 0.865 110 V CB 1.689 33.381 31.823 -0.218 0.000 0.995 110 V HN 0.662 nan 8.190 nan 0.000 0.424 111 V N 5.501 125.408 119.914 -0.011 0.000 2.419 111 V HA 0.501 4.621 4.120 -0.000 0.000 0.287 111 V C -0.568 175.537 176.094 0.018 0.000 1.017 111 V CA -0.514 61.790 62.300 0.006 0.000 0.844 111 V CB 1.753 33.605 31.823 0.047 0.000 1.011 111 V HN 0.572 nan 8.190 nan 0.000 0.429 112 V N 3.893 123.807 119.914 -0.001 0.000 2.443 112 V HA 0.747 4.867 4.120 -0.000 0.000 0.293 112 V C 0.777 176.871 176.094 0.001 0.000 1.021 112 V CA -0.272 62.032 62.300 0.005 0.000 0.848 112 V CB 1.815 33.636 31.823 -0.004 0.000 0.998 112 V HN 0.869 nan 8.190 nan 0.000 0.424 113 G N 2.308 111.114 108.800 0.010 0.000 2.528 113 G HA2 0.645 4.605 3.960 -0.000 0.000 0.289 113 G HA3 0.645 4.605 3.960 -0.000 0.000 0.289 113 G C -0.405 174.497 174.900 0.004 0.000 1.192 113 G CA -0.194 44.908 45.100 0.003 0.000 0.921 113 G HN 0.710 nan 8.290 nan 0.000 0.512 114 T N -1.979 112.576 114.554 0.001 0.000 2.802 114 T HA 0.504 4.854 4.350 -0.000 0.000 0.311 114 T C 1.228 175.932 174.700 0.006 0.000 1.405 114 T CA 0.521 62.626 62.100 0.008 0.000 1.016 114 T CB 1.164 70.040 68.868 0.014 0.000 1.352 114 T HN 0.761 nan 8.240 nan 0.000 0.498 115 G N 0.711 109.519 108.800 0.013 0.000 2.408 115 G HA2 0.135 4.095 3.960 -0.000 0.000 0.215 115 G HA3 0.135 4.095 3.960 -0.000 0.000 0.215 115 G C 1.024 175.941 174.900 0.029 0.000 1.156 115 G CA 1.217 46.331 45.100 0.022 0.000 0.793 115 G HN 0.497 nan 8.290 nan 0.000 0.535 116 L N -1.841 119.397 121.223 0.024 0.000 2.658 116 L HA 0.560 4.900 4.340 -0.000 0.000 0.222 116 L C 1.089 177.968 176.870 0.014 0.000 1.033 116 L CA 1.854 56.707 54.840 0.021 0.000 0.949 116 L CB 0.394 42.468 42.059 0.026 0.000 1.698 116 L HN 0.625 nan 8.230 nan 0.000 0.498 117 G N -0.770 108.042 108.800 0.019 0.000 2.384 117 G HA2 0.047 4.007 3.960 -0.000 0.000 0.204 117 G HA3 0.047 4.007 3.960 -0.000 0.000 0.204 117 G C 0.202 175.121 174.900 0.032 0.000 1.237 117 G CA -0.361 44.751 45.100 0.020 0.000 1.060 117 G HN 0.727 nan 8.290 nan 0.000 0.514 118 G N 0.180 108.998 108.800 0.030 0.000 3.541 118 G HA2 0.616 4.576 3.960 -0.000 0.000 0.253 118 G HA3 0.616 4.576 3.960 -0.000 0.000 0.253 118 G C 1.159 176.078 174.900 0.031 0.000 1.017 118 G CA 1.355 46.480 45.100 0.042 0.000 1.832 118 G HN 1.806 nan 8.290 nan 0.000 0.649 119 A N 1.109 123.942 122.820 0.022 0.000 2.121 119 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 119 A C 2.206 179.796 177.584 0.010 0.000 1.154 119 A CA 1.427 53.468 52.037 0.007 0.000 0.679 119 A CB 0.003 19.000 19.000 -0.004 0.000 0.795 119 A HN 0.557 nan 8.150 nan 0.000 0.458 120 E N 0.141 120.354 120.200 0.020 0.000 2.274 120 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 120 E C 1.312 177.937 176.600 0.041 0.000 0.996 120 E CA 0.641 57.057 56.400 0.027 0.000 0.840 120 E CB -0.333 29.386 29.700 0.031 0.000 0.772 120 E HN 0.447 nan 8.360 nan 0.000 0.491 121 R N 0.467 120.992 120.500 0.041 0.000 2.200 121 R HA 0.216 4.555 4.340 -0.000 0.000 0.208 121 R C 2.414 178.740 176.300 0.044 0.000 1.033 121 R CA 0.284 56.410 56.100 0.043 0.000 1.000 121 R CB -0.486 29.837 30.300 0.039 0.000 0.906 121 R HN 0.320 nan 8.270 nan 0.000 0.462 122 I N 0.868 121.457 120.570 0.032 0.000 2.163 122 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 122 I C 2.434 178.586 176.117 0.059 0.000 1.081 122 I CA 1.420 62.737 61.300 0.027 0.000 1.353 122 I CB -0.457 37.538 38.000 -0.010 0.000 1.054 122 I HN -0.065 nan 8.210 nan 0.000 0.407 123 V N -1.318 118.627 119.914 0.052 0.000 2.427 123 V HA -0.248 3.871 4.120 -0.000 0.000 0.248 123 V C 2.249 178.431 176.094 0.145 0.000 1.051 123 V CA 1.902 64.266 62.300 0.107 0.000 1.048 123 V CB -0.892 30.970 31.823 0.066 0.000 0.666 123 V HN 0.502 nan 8.190 nan 0.000 0.456 124 E N 0.938 121.194 120.200 0.095 0.000 2.038 124 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 124 E C 2.298 178.948 176.600 0.084 0.000 1.000 124 E CA 1.997 58.445 56.400 0.081 0.000 0.803 124 E CB -0.219 29.517 29.700 0.061 0.000 0.750 124 E HN 0.702 nan 8.360 nan 0.000 0.448 125 S N -0.462 115.292 115.700 0.089 0.000 2.402 125 S HA -0.152 4.318 4.470 -0.000 0.000 0.229 125 S C 1.527 176.195 174.600 0.114 0.000 1.021 125 S CA 1.030 59.279 58.200 0.082 0.000 0.974 125 S CB -0.399 62.844 63.200 0.072 0.000 0.800 125 S HN 0.442 nan 8.310 nan 0.000 0.484 126 Y N 2.412 122.717 120.300 0.009 0.000 2.114 126 Y HA -0.213 4.337 4.550 -0.000 0.000 0.284 126 Y C 2.016 177.923 175.900 0.011 0.000 1.143 126 Y CA 1.704 59.809 58.100 0.008 0.000 1.135 126 Y CB -0.237 38.227 38.460 0.006 0.000 0.980 126 Y HN 0.132 nan 8.280 nan 0.000 0.499 127 D N 0.306 120.692 120.400 -0.023 0.000 2.104 127 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 127 D C 2.120 178.368 176.300 -0.087 0.000 0.994 127 D CA 1.182 55.119 54.000 -0.105 0.000 0.830 127 D CB -0.389 40.418 40.800 0.012 0.000 0.959 127 D HN 0.274 nan 8.370 nan 0.000 0.452 128 L N 0.408 121.615 121.223 -0.026 0.000 2.012 128 L HA -0.128 4.211 4.340 -0.000 0.000 0.210 128 L C 2.427 179.275 176.870 -0.037 0.000 1.073 128 L CA 1.463 56.292 54.840 -0.018 0.000 0.748 128 L CB -0.912 41.152 42.059 0.008 0.000 0.891 128 L HN 0.137 nan 8.230 nan 0.000 0.431 129 M N -1.279 118.296 119.600 -0.043 0.000 2.200 129 M HA -0.165 4.315 4.480 -0.000 0.000 0.265 129 M C 1.893 178.145 176.300 -0.081 0.000 1.066 129 M CA 1.342 56.617 55.300 -0.042 0.000 1.127 129 M CB -0.143 32.449 32.600 -0.013 0.000 1.379 129 M HN 0.222 nan 8.290 nan 0.000 0.420 130 N N 1.073 119.676 118.700 -0.161 0.000 2.104 130 N HA -0.105 4.635 4.740 -0.000 0.000 0.190 130 N C 1.639 177.082 175.510 -0.111 0.000 1.024 130 N CA 1.891 54.829 53.050 -0.187 0.000 0.853 130 N CB -0.455 37.825 38.487 -0.346 0.000 1.008 130 N HN 0.525 nan 8.380 nan 0.000 0.424 131 A N -0.704 122.061 122.820 -0.091 0.000 2.021 131 A HA 0.273 4.593 4.320 -0.000 0.000 0.216 131 A C 1.808 179.370 177.584 -0.037 0.000 1.163 131 A CA 1.431 53.434 52.037 -0.056 0.000 0.676 131 A CB -0.121 18.853 19.000 -0.045 0.000 0.818 131 A HN 0.360 nan 8.150 nan 0.000 0.453 132 G N -2.259 106.521 108.800 -0.034 0.000 4.000 132 G HA2 0.515 4.475 3.960 -0.000 0.000 0.260 132 G HA3 0.515 4.475 3.960 -0.000 0.000 0.260 132 G C 0.662 175.552 174.900 -0.017 0.000 1.047 132 G CA 0.582 45.669 45.100 -0.021 0.000 0.860 132 G HN 1.602 nan 8.290 nan 0.000 0.464 133 G N 0.645 109.432 108.800 -0.022 0.000 2.757 133 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.638 133 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.638 133 G C -1.244 173.651 174.900 -0.008 0.000 1.344 133 G CA -0.153 44.939 45.100 -0.014 0.000 0.855 133 G HN 0.066 nan 8.290 nan 0.000 0.537 134 P HA -0.094 nan 4.420 nan 0.000 0.221 134 P C 1.416 178.719 177.300 0.004 0.000 1.145 134 P CA 1.203 64.305 63.100 0.004 0.000 0.795 134 P CB 0.018 31.721 31.700 0.005 0.000 0.775 135 R N -0.419 120.082 120.500 0.002 0.000 2.299 135 R HA 0.076 4.416 4.340 -0.000 0.000 0.197 135 R C 1.554 177.856 176.300 0.003 0.000 0.971 135 R CA 0.348 56.450 56.100 0.003 0.000 1.030 135 R CB -0.039 30.262 30.300 0.001 0.000 0.932 135 R HN 0.087 nan 8.270 nan 0.000 0.477 136 K N 0.553 120.954 120.400 0.002 0.000 2.459 136 K HA 0.095 4.415 4.320 -0.000 0.000 0.193 136 K C 0.442 177.047 176.600 0.009 0.000 1.030 136 K CA 0.239 56.528 56.287 0.003 0.000 1.026 136 K CB 0.205 32.705 32.500 -0.002 0.000 0.809 136 K HN -0.058 nan 8.250 nan 0.000 0.504 137 V N 1.996 121.917 119.914 0.011 0.000 2.488 137 V HA 0.058 4.178 4.120 -0.000 0.000 0.277 137 V C 0.778 176.880 176.094 0.015 0.000 1.046 137 V CA -0.533 61.777 62.300 0.017 0.000 0.986 137 V CB 1.188 33.024 31.823 0.021 0.000 0.989 137 V HN 0.109 nan 8.190 nan 0.000 0.475 138 S N 5.942 121.652 115.700 0.016 0.000 2.572 138 S HA 0.179 4.649 4.470 -0.000 0.000 0.279 138 S C -1.152 173.455 174.600 0.011 0.000 1.341 138 S CA -0.850 57.358 58.200 0.013 0.000 1.043 138 S CB 0.925 64.135 63.200 0.015 0.000 0.887 138 S HN 0.662 nan 8.310 nan 0.000 0.516 139 P HA 0.009 nan 4.420 nan 0.000 0.225 139 P C 0.717 178.020 177.300 0.005 0.000 1.148 139 P CA 0.947 64.051 63.100 0.006 0.000 0.779 139 P CB 0.069 31.771 31.700 0.004 0.000 0.780 140 L N -2.139 119.088 121.223 0.007 0.000 2.567 140 L HA 0.167 4.507 4.340 -0.000 0.000 0.225 140 L C 2.186 179.061 176.870 0.009 0.000 1.119 140 L CA 0.292 55.136 54.840 0.006 0.000 0.871 140 L CB -0.644 41.419 42.059 0.007 0.000 1.036 140 L HN -0.060 nan 8.230 nan 0.000 0.459 141 A N 0.349 123.176 122.820 0.012 0.000 1.898 141 A HA -0.125 4.194 4.320 -0.000 0.000 0.216 141 A C 2.313 179.904 177.584 0.012 0.000 1.181 141 A CA 1.515 53.562 52.037 0.016 0.000 0.620 141 A CB -0.593 18.420 19.000 0.022 0.000 0.819 141 A HN 0.147 nan 8.150 nan 0.000 0.442 142 V N 1.391 121.309 119.914 0.008 0.000 2.255 142 V HA -0.373 3.747 4.120 -0.000 0.000 0.247 142 V C 2.837 178.931 176.094 0.001 0.000 1.051 142 V CA 2.415 64.718 62.300 0.004 0.000 1.018 142 V CB -1.151 30.672 31.823 0.001 0.000 0.641 142 V HN 0.917 nan 8.190 nan 0.000 0.445 143 Q N -0.604 119.195 119.800 -0.002 0.000 2.291 143 Q HA -0.173 4.167 4.340 -0.000 0.000 0.206 143 Q C 2.002 178.000 176.000 -0.003 0.000 0.976 143 Q CA 1.782 57.581 55.803 -0.006 0.000 0.875 143 Q CB -0.343 28.389 28.738 -0.009 0.000 0.927 143 Q HN 0.565 nan 8.270 nan 0.000 0.450 144 M N -0.040 119.562 119.600 0.004 0.000 2.334 144 M HA 0.047 4.527 4.480 -0.000 0.000 0.266 144 M C 1.902 178.209 176.300 0.013 0.000 1.082 144 M CA 0.984 56.289 55.300 0.010 0.000 1.141 144 M CB 0.103 32.713 32.600 0.017 0.000 1.380 144 M HN 0.212 nan 8.290 nan 0.000 0.440 145 I N 0.488 121.065 120.570 0.011 0.000 2.333 145 I HA -0.101 4.069 4.170 -0.000 0.000 0.246 145 I C 1.379 177.499 176.117 0.005 0.000 1.106 145 I CA 0.051 61.358 61.300 0.011 0.000 1.411 145 I CB -0.070 37.936 38.000 0.010 0.000 1.082 145 I HN 0.319 nan 8.210 nan 0.000 0.420 146 M N 2.100 121.699 119.600 -0.001 0.000 2.290 146 M HA 0.033 4.513 4.480 -0.000 0.000 0.356 146 M C -1.988 174.308 176.300 -0.007 0.000 1.448 146 M CA -0.747 54.549 55.300 -0.007 0.000 0.993 146 M CB -0.266 32.327 32.600 -0.011 0.000 1.934 146 M HN -0.211 nan 8.290 nan 0.000 0.461 147 P HA -0.151 nan 4.420 nan 0.000 0.220 147 P C 0.688 177.979 177.300 -0.014 0.000 1.148 147 P CA 1.422 64.517 63.100 -0.008 0.000 0.803 147 P CB -0.287 31.408 31.700 -0.010 0.000 0.782 148 N N -0.547 118.140 118.700 -0.022 0.000 2.571 148 N HA -0.044 4.695 4.740 -0.000 0.000 0.189 148 N C 1.768 177.261 175.510 -0.030 0.000 1.154 148 N CA 1.068 54.100 53.050 -0.030 0.000 0.907 148 N CB -1.313 37.152 38.487 -0.037 0.000 0.977 148 N HN 0.085 nan 8.380 nan 0.000 0.449 149 G N 1.103 109.890 108.800 -0.021 0.000 2.476 149 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 149 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 149 G C 1.683 176.567 174.900 -0.027 0.000 1.164 149 G CA 1.501 46.588 45.100 -0.021 0.000 0.768 149 G HN 0.556 nan 8.290 nan 0.000 0.560 150 A N 1.033 123.839 122.820 -0.023 0.000 1.873 150 A HA 0.338 4.658 4.320 -0.000 0.000 0.215 150 A C 2.844 180.405 177.584 -0.039 0.000 1.186 150 A CA 2.212 54.232 52.037 -0.028 0.000 0.616 150 A CB -0.834 18.156 19.000 -0.018 0.000 0.823 150 A HN 0.843 nan 8.150 nan 0.000 0.442 151 A N -0.029 122.767 122.820 -0.040 0.000 1.902 151 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 151 A C 2.504 180.043 177.584 -0.074 0.000 1.181 151 A CA 2.193 54.198 52.037 -0.054 0.000 0.623 151 A CB -1.032 17.937 19.000 -0.053 0.000 0.818 151 A HN 1.059 nan 8.150 nan 0.000 0.443 152 A N -0.713 122.067 122.820 -0.066 0.000 1.902 152 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 152 A C 2.244 179.783 177.584 -0.075 0.000 1.181 152 A CA 1.731 53.725 52.037 -0.073 0.000 0.623 152 A CB -0.969 17.997 19.000 -0.057 0.000 0.818 152 A HN 0.383 nan 8.150 nan 0.000 0.443 153 V N 0.212 120.089 119.914 -0.062 0.000 2.287 153 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 153 V C 2.430 178.479 176.094 -0.076 0.000 1.053 153 V CA 2.247 64.510 62.300 -0.061 0.000 1.027 153 V CB -0.582 31.211 31.823 -0.050 0.000 0.646 153 V HN 0.596 nan 8.190 nan 0.000 0.447 154 I N 0.192 120.715 120.570 -0.080 0.000 2.252 154 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 154 I C 2.577 178.609 176.117 -0.142 0.000 1.102 154 I CA 1.554 62.800 61.300 -0.091 0.000 1.385 154 I CB -0.935 37.027 38.000 -0.064 0.000 1.064 154 I HN 0.391 nan 8.210 nan 0.000 0.414 155 G N 1.038 109.740 108.800 -0.165 0.000 2.418 155 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 155 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 155 G C 1.651 176.435 174.900 -0.193 0.000 1.158 155 G CA 0.548 45.506 45.100 -0.236 0.000 0.771 155 G HN 0.222 nan 8.290 nan 0.000 0.545 156 L N 0.387 121.530 121.223 -0.134 0.000 2.056 156 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 156 L C 2.889 179.697 176.870 -0.104 0.000 1.078 156 L CA 2.388 57.165 54.840 -0.104 0.000 0.749 156 L CB -0.604 41.409 42.059 -0.077 0.000 0.901 156 L HN 0.438 nan 8.230 nan 0.000 0.433 157 Q N -0.843 118.891 119.800 -0.110 0.000 2.096 157 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 157 Q C 1.956 177.854 176.000 -0.171 0.000 0.982 157 Q CA 2.047 57.781 55.803 -0.115 0.000 0.850 157 Q CB -0.119 28.558 28.738 -0.102 0.000 0.901 157 Q HN 0.594 nan 8.270 nan 0.000 0.422 158 L N -1.511 119.582 121.223 -0.216 0.000 2.513 158 L HA 0.282 4.622 4.340 -0.000 0.000 0.222 158 L C 0.981 177.753 176.870 -0.163 0.000 1.096 158 L CA 0.436 55.071 54.840 -0.341 0.000 0.857 158 L CB 0.517 42.349 42.059 -0.378 0.000 1.026 158 L HN 0.530 nan 8.230 nan 0.000 0.469 159 G N 1.040 109.771 108.800 -0.115 0.000 2.207 159 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 159 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 159 G C 0.110 174.992 174.900 -0.030 0.000 1.053 159 G CA -0.108 44.969 45.100 -0.040 0.000 0.764 159 G HN 0.392 nan 8.290 nan 0.000 0.495 160 A N -0.021 122.604 122.820 -0.324 0.000 2.309 160 A HA 0.781 5.101 4.320 -0.000 0.000 0.290 160 A C 1.080 178.499 177.584 -0.275 0.000 1.206 160 A CA -0.075 51.596 52.037 -0.610 0.000 0.850 160 A CB 0.357 18.684 19.000 -1.123 0.000 1.118 160 A HN 0.507 nan 8.150 nan 0.000 0.523 161 R N 2.244 122.661 120.500 -0.139 0.000 2.509 161 R HA 0.209 4.548 4.340 -0.000 0.000 0.297 161 R C 0.861 177.127 176.300 -0.056 0.000 0.951 161 R CA 0.633 56.688 56.100 -0.076 0.000 1.103 161 R CB 0.876 31.162 30.300 -0.023 0.000 1.283 161 R HN 0.684 nan 8.270 nan 0.000 0.534 162 A N 1.142 123.922 122.820 -0.066 0.000 2.462 162 A HA 0.490 4.810 4.320 -0.000 0.000 0.261 162 A C 0.410 177.955 177.584 -0.066 0.000 1.323 162 A CA 0.214 52.227 52.037 -0.040 0.000 0.913 162 A CB 0.246 19.247 19.000 0.003 0.000 1.028 162 A HN 0.289 nan 8.150 nan 0.000 0.511 163 G N -1.416 107.326 108.800 -0.096 0.000 2.841 163 G HA2 0.222 4.182 3.960 -0.000 0.000 0.684 163 G HA3 0.222 4.182 3.960 -0.000 0.000 0.684 163 G C -1.110 173.714 174.900 -0.127 0.000 1.273 163 G CA -0.399 44.645 45.100 -0.093 0.000 0.811 163 G HN 0.816 nan 8.290 nan 0.000 0.631 164 V N 3.951 123.797 119.914 -0.113 0.000 2.409 164 V HA 0.735 4.855 4.120 -0.000 0.000 0.290 164 V C 0.448 176.490 176.094 -0.088 0.000 1.017 164 V CA -0.387 61.843 62.300 -0.117 0.000 0.841 164 V CB 1.444 33.191 31.823 -0.126 0.000 1.003 164 V HN 0.780 nan 8.190 nan 0.000 0.426 165 M N 3.199 122.753 119.600 -0.077 0.000 2.602 165 M HA 0.615 5.095 4.480 -0.000 0.000 0.312 165 M C -0.617 175.645 176.300 -0.063 0.000 1.181 165 M CA -0.461 54.794 55.300 -0.076 0.000 0.910 165 M CB 2.687 35.234 32.600 -0.088 0.000 1.723 165 M HN 0.423 nan 8.290 nan 0.000 0.459 166 T N 2.536 117.048 114.554 -0.070 0.000 3.009 166 T HA 0.421 4.771 4.350 -0.000 0.000 0.346 166 T C -2.578 172.080 174.700 -0.071 0.000 1.092 166 T CA -1.023 61.045 62.100 -0.053 0.000 1.080 166 T CB 0.575 69.417 68.868 -0.043 0.000 1.037 166 T HN 0.401 nan 8.240 nan 0.000 0.487 167 P HA 0.437 nan 4.420 nan 0.000 0.281 167 P C -0.834 176.435 177.300 -0.051 0.000 1.252 167 P CA -0.426 62.629 63.100 -0.074 0.000 0.778 167 P CB 1.126 32.824 31.700 -0.004 0.000 0.895 168 V N 3.179 123.052 119.914 -0.069 0.000 2.384 168 V HA 0.332 4.452 4.120 -0.000 0.000 0.287 168 V C 0.720 176.727 176.094 -0.145 0.000 1.020 168 V CA -0.066 62.193 62.300 -0.069 0.000 0.850 168 V CB 1.344 33.143 31.823 -0.039 0.000 0.987 168 V HN 0.785 nan 8.190 nan 0.000 0.436 169 S N 3.076 118.670 115.700 -0.176 0.000 2.949 169 S HA 0.665 5.135 4.470 -0.000 0.000 0.246 169 S C 0.405 174.936 174.600 -0.115 0.000 0.899 169 S CA 0.505 58.467 58.200 -0.397 0.000 1.091 169 S CB 0.667 63.540 63.200 -0.544 0.000 1.199 169 S HN 1.899 nan 8.310 nan 0.000 0.507 170 A N 2.282 125.093 122.820 -0.015 0.000 5.369 170 A HA -0.373 3.947 4.320 -0.000 0.000 0.298 170 A C 1.242 178.828 177.584 0.004 0.000 2.000 170 A CA 1.641 53.701 52.037 0.038 0.000 0.716 170 A CB -1.910 17.168 19.000 0.130 0.000 1.248 170 A HN 0.642 nan 8.150 nan 0.000 0.365 171 Q N 0.719 120.512 119.800 -0.012 0.000 2.500 171 Q HA 0.117 4.457 4.340 -0.000 0.000 0.213 171 Q C 1.856 177.894 176.000 0.064 0.000 0.974 171 Q CA 1.570 57.403 55.803 0.051 0.000 0.918 171 Q CB -0.189 28.609 28.738 0.101 0.000 0.980 171 Q HN 1.077 nan 8.270 nan 0.000 0.505 172 S N -2.180 113.513 115.700 -0.011 0.000 2.557 172 S HA 0.183 4.653 4.470 -0.000 0.000 0.223 172 S C 1.483 176.055 174.600 -0.046 0.000 0.969 172 S CA -0.160 57.999 58.200 -0.069 0.000 0.927 172 S CB 0.326 63.469 63.200 -0.095 0.000 0.806 172 S HN 0.088 nan 8.310 nan 0.000 0.489 173 S N 2.148 117.831 115.700 -0.028 0.000 2.370 173 S HA -0.034 4.435 4.470 -0.000 0.000 0.226 173 S C 2.085 176.684 174.600 -0.002 0.000 1.033 173 S CA 1.518 59.704 58.200 -0.023 0.000 1.011 173 S CB -0.984 62.206 63.200 -0.017 0.000 0.852 173 S HN 0.768 nan 8.310 nan 0.000 0.457 174 G N 0.764 109.566 108.800 0.003 0.000 2.408 174 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 174 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 174 G C 1.564 176.471 174.900 0.012 0.000 1.150 174 G CA 1.017 46.124 45.100 0.012 0.000 0.776 174 G HN 0.522 nan 8.290 nan 0.000 0.542 175 S N -0.183 115.510 115.700 -0.011 0.000 2.387 175 S HA -0.029 4.441 4.470 -0.000 0.000 0.226 175 S C 2.081 176.662 174.600 -0.032 0.000 1.026 175 S CA 1.066 59.251 58.200 -0.025 0.000 0.972 175 S CB -0.091 63.063 63.200 -0.075 0.000 0.814 175 S HN 0.586 nan 8.310 nan 0.000 0.477 176 E N 1.169 121.355 120.200 -0.024 0.000 2.110 176 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 176 E C 2.161 178.810 176.600 0.081 0.000 0.988 176 E CA 0.891 57.290 56.400 -0.002 0.000 0.804 176 E CB -0.194 29.532 29.700 0.043 0.000 0.745 176 E HN 0.466 nan 8.360 nan 0.000 0.458 177 A N 1.048 123.920 122.820 0.087 0.000 1.917 177 A HA -0.210 4.109 4.320 -0.000 0.000 0.219 177 A C 2.115 179.757 177.584 0.095 0.000 1.182 177 A CA 1.481 53.581 52.037 0.105 0.000 0.633 177 A CB -0.635 18.401 19.000 0.060 0.000 0.819 177 A HN 0.312 nan 8.150 nan 0.000 0.448 178 I N -0.495 120.110 120.570 0.059 0.000 2.315 178 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 178 I C 2.963 179.102 176.117 0.036 0.000 1.117 178 I CA 0.845 62.183 61.300 0.063 0.000 1.404 178 I CB -0.361 37.683 38.000 0.074 0.000 1.071 178 I HN 0.358 nan 8.210 nan 0.000 0.419 179 A N 0.529 123.320 122.820 -0.049 0.000 1.883 179 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 179 A C 2.223 179.771 177.584 -0.060 0.000 1.186 179 A CA 1.768 53.732 52.037 -0.122 0.000 0.624 179 A CB -0.992 17.848 19.000 -0.267 0.000 0.822 179 A HN 0.431 nan 8.150 nan 0.000 0.444 180 H N -0.665 118.442 119.070 0.062 0.000 2.423 180 H HA 0.026 4.582 4.556 -0.000 0.000 0.297 180 H C 2.524 177.877 175.328 0.043 0.000 1.075 180 H CA 1.311 57.386 56.048 0.046 0.000 1.342 180 H CB -0.420 29.349 29.762 0.012 0.000 1.395 180 H HN 0.551 nan 8.280 nan 0.000 0.530 181 A N 0.791 123.703 122.820 0.154 0.000 1.898 181 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 181 A C 2.340 179.986 177.584 0.104 0.000 1.181 181 A CA 1.179 53.282 52.037 0.109 0.000 0.620 181 A CB -1.056 18.009 19.000 0.109 0.000 0.819 181 A HN 0.526 nan 8.150 nan 0.000 0.442 182 W N 0.983 122.244 121.300 -0.065 0.000 2.317 182 W HA -0.238 4.422 4.660 -0.000 0.000 0.318 182 W C 2.378 178.814 176.519 -0.139 0.000 1.227 182 W CA 2.280 59.555 57.345 -0.116 0.000 1.269 182 W CB -0.271 29.082 29.460 -0.178 0.000 1.155 182 W HN 0.264 nan 8.180 nan 0.000 0.484 183 R N -0.379 120.074 120.500 -0.078 0.000 2.091 183 R HA -0.263 4.077 4.340 -0.000 0.000 0.238 183 R C 2.197 178.345 176.300 -0.253 0.000 1.136 183 R CA 2.019 57.954 56.100 -0.275 0.000 0.959 183 R CB -0.856 29.426 30.300 -0.031 0.000 0.856 183 R HN 0.250 nan 8.270 nan 0.000 0.437 184 Q N 0.838 120.570 119.800 -0.113 0.000 2.124 184 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 184 Q C 1.829 177.755 176.000 -0.124 0.000 0.977 184 Q CA 1.456 57.208 55.803 -0.085 0.000 0.850 184 Q CB -0.001 28.721 28.738 -0.026 0.000 0.901 184 Q HN 0.365 nan 8.270 nan 0.000 0.429 185 I N -0.448 120.022 120.570 -0.166 0.000 2.233 185 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 185 I C 2.138 178.105 176.117 -0.249 0.000 1.093 185 I CA 1.070 62.269 61.300 -0.169 0.000 1.380 185 I CB -0.376 37.542 38.000 -0.137 0.000 1.067 185 I HN 0.226 nan 8.210 nan 0.000 0.413 186 V N -1.640 117.982 119.914 -0.488 0.000 2.626 186 V HA -0.196 3.923 4.120 -0.000 0.000 0.252 186 V C 2.129 178.069 176.094 -0.255 0.000 1.067 186 V CA 1.440 63.445 62.300 -0.492 0.000 1.081 186 V CB -0.713 30.455 31.823 -1.091 0.000 0.686 186 V HN 0.364 nan 8.190 nan 0.000 0.468 187 M N 0.710 120.164 119.600 -0.244 0.000 2.630 187 M HA 0.250 4.730 4.480 -0.000 0.000 0.254 187 M C 1.622 177.884 176.300 -0.063 0.000 1.092 187 M CA 1.168 56.402 55.300 -0.109 0.000 1.087 187 M CB -0.080 32.463 32.600 -0.096 0.000 1.453 187 M HN 0.738 nan 8.290 nan 0.000 0.509 188 G N 0.759 109.515 108.800 -0.073 0.000 2.131 188 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.223 188 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.223 188 G C 0.075 174.958 174.900 -0.028 0.000 0.990 188 G CA 0.401 45.478 45.100 -0.038 0.000 0.671 188 G HN 0.483 nan 8.290 nan 0.000 0.521 189 D N 0.142 120.519 120.400 -0.038 0.000 2.346 189 D HA 0.531 5.171 4.640 -0.000 0.000 0.206 189 D C 1.257 177.549 176.300 -0.012 0.000 1.001 189 D CA 1.474 55.459 54.000 -0.024 0.000 0.871 189 D CB 0.457 41.239 40.800 -0.030 0.000 0.943 189 D HN 0.978 nan 8.370 nan 0.000 0.518 190 A N -0.249 122.561 122.820 -0.017 0.000 2.606 190 A HA 0.460 4.780 4.320 -0.000 0.000 0.293 190 A C -0.818 176.757 177.584 -0.015 0.000 1.082 190 A CA -0.690 51.350 52.037 0.004 0.000 0.685 190 A CB 1.316 20.326 19.000 0.018 0.000 1.284 190 A HN -0.140 nan 8.150 nan 0.000 0.408 191 D N -0.406 119.980 120.400 -0.024 0.000 2.449 191 D HA 0.256 4.896 4.640 -0.000 0.000 0.210 191 D C -0.088 176.076 176.300 -0.226 0.000 1.094 191 D CA 0.929 54.875 54.000 -0.091 0.000 0.846 191 D CB 1.510 42.280 40.800 -0.049 0.000 1.003 191 D HN 0.466 nan 8.370 nan 0.000 0.504 192 V N -0.110 119.714 119.914 -0.150 0.000 2.932 192 V HA 0.759 4.879 4.120 -0.000 0.000 0.307 192 V C -1.988 174.210 176.094 0.172 0.000 1.147 192 V CA -0.646 61.574 62.300 -0.133 0.000 0.951 192 V CB 2.043 33.618 31.823 -0.413 0.000 1.031 192 V HN 0.041 nan 8.190 nan 0.000 0.426 193 A N 5.080 128.019 122.820 0.198 0.000 2.459 193 A HA 0.785 5.104 4.320 -0.000 0.000 0.296 193 A C -1.270 176.489 177.584 0.292 0.000 1.039 193 A CA -0.465 51.739 52.037 0.278 0.000 0.698 193 A CB 1.942 21.026 19.000 0.141 0.000 1.261 193 A HN 1.258 nan 8.150 nan 0.000 0.405 194 V N 1.876 122.022 119.914 0.386 0.000 2.461 194 V HA 0.478 4.598 4.120 -0.000 0.000 0.275 194 V C 0.243 176.423 176.094 0.144 0.000 1.047 194 V CA 0.047 62.513 62.300 0.277 0.000 0.955 194 V CB 0.210 32.237 31.823 0.341 0.000 0.988 194 V HN 1.329 nan 8.190 nan 0.000 0.471 195 C N 2.796 122.166 119.300 0.118 0.000 3.086 195 C HA 1.077 5.537 4.460 -0.000 0.000 0.311 195 C C 0.270 175.303 174.990 0.071 0.000 1.260 195 C CA -0.010 59.059 59.018 0.085 0.000 1.426 195 C CB 1.028 28.825 27.740 0.094 0.000 1.826 195 C HN 1.345 nan 8.230 nan 0.000 0.474 196 G N 0.294 109.127 108.800 0.054 0.000 2.491 196 G HA2 0.692 4.652 3.960 -0.000 0.000 0.183 196 G HA3 0.692 4.652 3.960 -0.000 0.000 0.183 196 G C -0.589 174.330 174.900 0.031 0.000 1.221 196 G CA 0.357 45.482 45.100 0.043 0.000 0.996 196 G HN 2.336 nan 8.290 nan 0.000 0.474 197 G N -1.234 107.580 108.800 0.024 0.000 2.742 197 G HA2 0.829 4.789 3.960 -0.000 0.000 0.296 197 G HA3 0.829 4.789 3.960 -0.000 0.000 0.296 197 G C -0.924 173.988 174.900 0.019 0.000 1.436 197 G CA 0.569 45.680 45.100 0.019 0.000 0.928 197 G HN 1.948 nan 8.290 nan 0.000 0.520 198 V N -1.726 118.200 119.914 0.020 0.000 3.001 198 V HA 1.014 5.134 4.120 -0.000 0.000 0.314 198 V C -0.801 175.320 176.094 0.044 0.000 1.099 198 V CA -1.137 61.182 62.300 0.030 0.000 0.989 198 V CB 1.998 33.832 31.823 0.018 0.000 1.040 198 V HN 0.940 nan 8.190 nan 0.000 0.434 199 E N 0.590 120.835 120.200 0.075 0.000 2.412 199 E HA 0.694 5.044 4.350 -0.000 0.000 0.279 199 E C -0.027 176.650 176.600 0.128 0.000 0.984 199 E CA 0.214 56.652 56.400 0.062 0.000 0.788 199 E CB 1.943 31.644 29.700 0.002 0.000 1.277 199 E HN 1.247 nan 8.360 nan 0.000 0.455 200 G N 1.587 110.407 108.800 0.034 0.000 2.651 200 G HA2 0.457 4.416 3.960 -0.000 0.000 0.260 200 G HA3 0.457 4.416 3.960 -0.000 0.000 0.260 200 G C -2.134 172.601 174.900 -0.274 0.000 1.216 200 G CA -0.820 44.211 45.100 -0.115 0.000 0.913 200 G HN 0.461 nan 8.290 nan 0.000 0.535 201 P HA 0.320 nan 4.420 nan 0.000 0.279 201 P C -0.151 177.018 177.300 -0.219 0.000 1.276 201 P CA -0.649 62.264 63.100 -0.311 0.000 0.801 201 P CB 1.271 32.731 31.700 -0.400 0.000 1.127 202 I N 1.242 121.767 120.570 -0.076 0.000 2.662 202 I HA 0.039 4.209 4.170 -0.000 0.000 0.285 202 I C 1.031 177.219 176.117 0.118 0.000 1.161 202 I CA 0.894 62.164 61.300 -0.050 0.000 1.415 202 I CB -0.097 37.946 38.000 0.073 0.000 1.385 202 I HN 0.184 nan 8.210 nan 0.000 0.552 203 E N 4.188 124.371 120.200 -0.029 0.000 2.392 203 E HA 0.421 4.770 4.350 -0.000 0.000 0.269 203 E C 0.433 176.805 176.600 -0.379 0.000 0.924 203 E CA -0.649 55.674 56.400 -0.129 0.000 0.784 203 E CB 1.762 31.391 29.700 -0.119 0.000 1.292 203 E HN 0.533 nan 8.360 nan 0.000 0.447 204 A N 1.151 123.496 122.820 -0.791 0.000 1.883 204 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 204 A C 1.873 179.169 177.584 -0.481 0.000 1.186 204 A CA 1.754 53.300 52.037 -0.819 0.000 0.624 204 A CB -0.419 18.014 19.000 -0.944 0.000 0.822 204 A HN 0.439 nan 8.150 nan 0.000 0.444 205 L N 0.318 121.314 121.223 -0.378 0.000 2.027 205 L HA 0.003 4.343 4.340 -0.000 0.000 0.206 205 L C -0.691 176.123 176.870 -0.093 0.000 1.074 205 L CA 2.129 56.811 54.840 -0.264 0.000 0.745 205 L CB -1.372 40.555 42.059 -0.220 0.000 0.898 205 L HN 0.142 nan 8.230 nan 0.000 0.433 206 P HA -0.174 nan 4.420 nan 0.000 0.216 206 P C 2.085 179.656 177.300 0.451 0.000 1.153 206 P CA 1.759 65.012 63.100 0.255 0.000 0.858 206 P CB -0.041 31.760 31.700 0.169 0.000 0.789 207 I N -0.587 120.165 120.570 0.304 0.000 2.127 207 I HA -0.308 3.862 4.170 -0.000 0.000 0.241 207 I C 2.380 178.553 176.117 0.094 0.000 1.075 207 I CA 1.714 63.154 61.300 0.233 0.000 1.334 207 I CB -1.018 37.056 38.000 0.123 0.000 1.040 207 I HN -0.080 nan 8.210 nan 0.000 0.405 208 A N 0.821 123.629 122.820 -0.020 0.000 1.883 208 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 208 A C 2.555 180.118 177.584 -0.035 0.000 1.186 208 A CA 2.257 54.252 52.037 -0.070 0.000 0.624 208 A CB -1.006 17.886 19.000 -0.182 0.000 0.822 208 A HN 0.465 nan 8.150 nan 0.000 0.444 209 A N -1.476 121.329 122.820 -0.026 0.000 1.877 209 A HA 0.011 4.330 4.320 -0.000 0.000 0.216 209 A C 1.984 179.510 177.584 -0.097 0.000 1.186 209 A CA 1.606 53.589 52.037 -0.090 0.000 0.620 209 A CB -0.696 18.212 19.000 -0.152 0.000 0.822 209 A HN 0.479 nan 8.150 nan 0.000 0.443 210 F N 0.790 120.775 119.950 0.060 0.000 2.234 210 F HA -0.085 4.442 4.527 -0.000 0.000 0.296 210 F C 2.913 178.683 175.800 -0.049 0.000 1.089 210 F CA 1.468 59.510 58.000 0.071 0.000 1.343 210 F CB -0.167 38.887 39.000 0.091 0.000 1.040 210 F HN 0.336 nan 8.300 nan 0.000 0.498 211 S N -0.567 115.177 115.700 0.073 0.000 2.428 211 S HA -0.137 4.333 4.470 -0.000 0.000 0.230 211 S C 1.886 176.476 174.600 -0.017 0.000 1.014 211 S CA 0.692 58.875 58.200 -0.028 0.000 0.957 211 S CB -0.366 62.800 63.200 -0.058 0.000 0.784 211 S HN 0.177 nan 8.310 nan 0.000 0.499 212 M N 0.837 120.429 119.600 -0.013 0.000 2.557 212 M HA 0.241 4.721 4.480 -0.000 0.000 0.259 212 M C 1.566 177.855 176.300 -0.018 0.000 1.086 212 M CA 0.848 56.134 55.300 -0.023 0.000 1.096 212 M CB -1.164 31.412 32.600 -0.039 0.000 1.424 212 M HN 0.453 nan 8.290 nan 0.000 0.488 213 M N -1.056 118.546 119.600 0.004 0.000 2.495 213 M HA 0.052 4.531 4.480 -0.000 0.000 0.237 213 M C 0.138 176.456 176.300 0.031 0.000 1.131 213 M CA 0.155 55.467 55.300 0.020 0.000 1.032 213 M CB 0.079 32.721 32.600 0.070 0.000 1.513 213 M HN 0.081 nan 8.290 nan 0.000 0.488 214 R N -0.677 119.828 120.500 0.009 0.000 3.758 214 R HA -0.212 4.127 4.340 -0.000 0.000 0.299 214 R C 0.856 177.156 176.300 0.000 0.000 1.182 214 R CA 0.579 56.673 56.100 -0.010 0.000 0.809 214 R CB -2.432 27.863 30.300 -0.008 0.000 1.249 214 R HN 0.536 nan 8.270 nan 0.000 0.497 215 A N -0.553 122.285 122.820 0.030 0.000 2.132 215 A HA 0.239 4.559 4.320 -0.000 0.000 0.213 215 A C 0.827 178.312 177.584 -0.165 0.000 1.154 215 A CA 0.448 52.549 52.037 0.107 0.000 0.753 215 A CB 0.252 19.512 19.000 0.434 0.000 0.826 215 A HN 0.234 nan 8.150 nan 0.000 0.469 216 M N 0.260 119.622 119.600 -0.396 0.000 2.318 216 M HA 0.281 4.761 4.480 -0.000 0.000 0.347 216 M C 0.326 176.410 176.300 -0.359 0.000 1.175 216 M CA -0.330 54.551 55.300 -0.698 0.000 1.075 216 M CB 1.632 33.767 32.600 -0.775 0.000 1.614 216 M HN 0.156 nan 8.290 nan 0.000 0.456 217 S N 0.949 116.454 115.700 -0.325 0.000 2.549 217 S HA 0.088 4.558 4.470 -0.000 0.000 0.286 217 S C 0.757 175.264 174.600 -0.154 0.000 1.314 217 S CA -0.071 58.021 58.200 -0.179 0.000 1.062 217 S CB 0.240 63.361 63.200 -0.133 0.000 0.865 217 S HN 0.812 nan 8.310 nan 0.000 0.498 218 T N 2.121 116.617 114.554 -0.097 0.000 3.266 218 T HA 0.305 4.655 4.350 -0.000 0.000 0.278 218 T C 0.365 175.039 174.700 -0.042 0.000 1.010 218 T CA -0.496 61.563 62.100 -0.067 0.000 0.909 218 T CB -0.210 68.627 68.868 -0.052 0.000 1.122 218 T HN 0.593 nan 8.240 nan 0.000 0.536 219 R N 1.602 122.076 120.500 -0.043 0.000 3.710 219 R HA 0.271 4.610 4.340 -0.000 0.000 0.201 219 R C 0.395 176.684 176.300 -0.017 0.000 1.641 219 R CA -0.046 56.039 56.100 -0.025 0.000 1.390 219 R CB -0.674 29.613 30.300 -0.023 0.000 1.341 219 R HN 0.497 nan 8.270 nan 0.000 0.728 220 N N 0.198 118.892 118.700 -0.011 0.000 2.396 220 N HA -0.118 4.622 4.740 -0.000 0.000 0.180 220 N C 0.510 176.026 175.510 0.009 0.000 1.028 220 N CA 0.538 53.588 53.050 0.000 0.000 0.893 220 N CB 0.241 38.732 38.487 0.008 0.000 0.967 220 N HN 0.377 nan 8.380 nan 0.000 0.440 221 D N 0.905 121.310 120.400 0.008 0.000 2.178 221 D HA -0.046 4.594 4.640 -0.000 0.000 0.202 221 D C -0.034 176.274 176.300 0.014 0.000 0.974 221 D CA 1.165 55.172 54.000 0.011 0.000 0.841 221 D CB 0.110 40.916 40.800 0.009 0.000 0.953 221 D HN 0.346 nan 8.370 nan 0.000 0.478 222 E N -0.469 119.737 120.200 0.010 0.000 2.914 222 E HA 0.153 4.503 4.350 -0.000 0.000 0.246 222 E C -2.004 174.602 176.600 0.010 0.000 1.146 222 E CA -1.337 55.071 56.400 0.013 0.000 0.803 222 E CB 2.139 31.846 29.700 0.011 0.000 1.409 222 E HN -0.058 nan 8.360 nan 0.000 0.392 223 P HA -0.228 nan 4.420 nan 0.000 0.215 223 P C 0.825 178.126 177.300 0.002 0.000 1.157 223 P CA 1.266 64.369 63.100 0.006 0.000 0.874 223 P CB 0.300 32.014 31.700 0.024 0.000 0.790 224 E N -0.681 119.528 120.200 0.016 0.000 2.333 224 E HA -0.136 4.214 4.350 -0.000 0.000 0.198 224 E C 1.597 178.207 176.600 0.017 0.000 1.007 224 E CA 0.674 57.085 56.400 0.018 0.000 0.845 224 E CB -0.276 29.441 29.700 0.029 0.000 0.766 224 E HN 0.366 nan 8.360 nan 0.000 0.507 225 R N -0.293 120.215 120.500 0.013 0.000 2.397 225 R HA 0.241 4.581 4.340 -0.000 0.000 0.241 225 R C 1.850 178.154 176.300 0.006 0.000 0.914 225 R CA 0.336 56.445 56.100 0.015 0.000 1.071 225 R CB 0.461 30.770 30.300 0.015 0.000 1.116 225 R HN 0.016 nan 8.270 nan 0.000 0.524 226 A N 1.000 123.817 122.820 -0.005 0.000 1.897 226 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 226 A C 1.371 178.944 177.584 -0.019 0.000 1.181 226 A CA 0.859 52.885 52.037 -0.018 0.000 0.620 226 A CB -0.010 18.969 19.000 -0.035 0.000 0.821 226 A HN 0.160 nan 8.150 nan 0.000 0.443 227 S N 0.608 116.299 115.700 -0.014 0.000 2.416 227 S HA 0.353 4.823 4.470 -0.000 0.000 0.302 227 S C 0.061 174.659 174.600 -0.004 0.000 1.120 227 S CA -0.511 57.680 58.200 -0.015 0.000 1.067 227 S CB -0.415 62.775 63.200 -0.017 0.000 1.057 227 S HN 0.391 nan 8.310 nan 0.000 0.518 228 R N 4.649 125.147 120.500 -0.004 0.000 2.983 228 R HA 0.268 4.608 4.340 -0.000 0.000 0.300 228 R C -2.860 173.449 176.300 0.014 0.000 1.367 228 R CA -1.784 54.334 56.100 0.030 0.000 1.564 228 R CB 0.822 31.145 30.300 0.038 0.000 1.314 228 R HN 0.407 nan 8.270 nan 0.000 0.622 229 P HA 0.026 nan 4.420 nan 0.000 0.267 229 P C -0.096 177.171 177.300 -0.055 0.000 1.205 229 P CA 0.092 63.046 63.100 -0.243 0.000 0.765 229 P CB 0.218 31.703 31.700 -0.358 0.000 0.828 230 F N -1.078 118.942 119.950 0.118 0.000 2.705 230 F HA -0.252 4.275 4.527 -0.000 0.000 0.413 230 F C 0.726 176.703 175.800 0.296 0.000 0.588 230 F CA 1.059 59.174 58.000 0.192 0.000 1.187 230 F CB -2.421 36.669 39.000 0.150 0.000 1.737 230 F HN 0.279 nan 8.300 nan 0.000 0.285 231 D N 0.615 121.224 120.400 0.347 0.000 2.341 231 D HA 0.226 4.866 4.640 -0.000 0.000 0.245 231 D C 1.180 177.534 176.300 0.090 0.000 1.106 231 D CA 0.090 54.196 54.000 0.177 0.000 0.905 231 D CB 1.010 41.886 40.800 0.127 0.000 1.202 231 D HN 0.199 nan 8.370 nan 0.000 0.426 232 K N 1.474 121.894 120.400 0.032 0.000 2.209 232 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 232 K C 0.153 176.764 176.600 0.017 0.000 1.048 232 K CA 1.154 57.455 56.287 0.024 0.000 0.940 232 K CB 0.216 32.715 32.500 -0.002 0.000 0.729 232 K HN 0.460 nan 8.250 nan 0.000 0.451 233 D N 1.093 121.500 120.400 0.011 0.000 2.342 233 D HA -0.025 4.615 4.640 -0.000 0.000 0.221 233 D C -0.164 176.141 176.300 0.007 0.000 1.101 233 D CA 0.046 54.050 54.000 0.006 0.000 0.837 233 D CB 0.070 40.870 40.800 -0.000 0.000 0.938 233 D HN 0.345 nan 8.370 nan 0.000 0.508 234 R N 1.601 122.109 120.500 0.013 0.000 2.679 234 R HA 0.060 4.400 4.340 -0.000 0.000 0.268 234 R C -0.069 176.229 176.300 -0.004 0.000 1.044 234 R CA 0.355 56.457 56.100 0.003 0.000 1.105 234 R CB 0.366 30.664 30.300 -0.003 0.000 0.989 234 R HN -0.166 nan 8.270 nan 0.000 0.447 235 D N 0.815 121.206 120.400 -0.015 0.000 2.760 235 D HA 0.231 4.871 4.640 -0.000 0.000 0.314 235 D C 0.268 176.545 176.300 -0.038 0.000 1.464 235 D CA 0.083 54.069 54.000 -0.022 0.000 0.797 235 D CB 0.432 41.215 40.800 -0.028 0.000 1.149 235 D HN 0.907 nan 8.370 nan 0.000 0.455 236 G N 0.399 109.186 108.800 -0.021 0.000 2.384 236 G HA2 0.182 4.142 3.960 -0.000 0.000 0.668 236 G HA3 0.182 4.142 3.960 -0.000 0.000 0.668 236 G C -0.634 174.259 174.900 -0.011 0.000 1.280 236 G CA -0.650 44.441 45.100 -0.015 0.000 0.992 236 G HN 0.358 nan 8.290 nan 0.000 0.512 237 F N -0.656 119.246 119.950 -0.080 0.000 2.370 237 F HA 0.854 5.381 4.527 -0.000 0.000 0.319 237 F C 0.149 175.850 175.800 -0.165 0.000 1.129 237 F CA -1.354 56.584 58.000 -0.104 0.000 1.109 237 F CB 1.463 40.435 39.000 -0.047 0.000 1.262 237 F HN 0.463 nan 8.300 nan 0.000 0.534 238 V N 2.768 122.741 119.914 0.098 0.000 2.540 238 V HA 0.272 4.391 4.120 -0.000 0.000 0.302 238 V C -0.627 175.572 176.094 0.176 0.000 1.035 238 V CA -0.787 61.493 62.300 -0.034 0.000 0.873 238 V CB 1.304 33.113 31.823 -0.023 0.000 0.992 238 V HN 0.623 nan 8.190 nan 0.000 0.428 239 F N 2.849 122.834 119.950 0.059 0.000 2.538 239 F HA 0.540 5.067 4.527 -0.000 0.000 0.371 239 F C 1.071 176.849 175.800 -0.036 0.000 1.087 239 F CA -0.213 57.808 58.000 0.034 0.000 1.250 239 F CB 0.778 39.754 39.000 -0.039 0.000 1.110 239 F HN 0.541 nan 8.300 nan 0.000 0.570 240 G N 3.936 112.850 108.800 0.191 0.000 2.737 240 G HA2 0.404 4.364 3.960 -0.000 0.000 0.290 240 G HA3 0.404 4.364 3.960 -0.000 0.000 0.290 240 G C -0.974 173.953 174.900 0.045 0.000 1.482 240 G CA -0.725 44.409 45.100 0.057 0.000 1.017 240 G HN 0.528 nan 8.290 nan 0.000 0.529 241 E N 0.275 120.488 120.200 0.021 0.000 2.415 241 E HA 0.478 4.828 4.350 -0.000 0.000 0.262 241 E C 0.370 177.004 176.600 0.056 0.000 1.038 241 E CA 0.585 57.003 56.400 0.030 0.000 0.921 241 E CB 1.276 31.020 29.700 0.073 0.000 0.950 241 E HN 0.780 nan 8.360 nan 0.000 0.438 242 A N 1.248 124.102 122.820 0.056 0.000 2.544 242 A HA 0.729 5.049 4.320 -0.000 0.000 0.291 242 A C -0.955 176.662 177.584 0.055 0.000 1.055 242 A CA -0.160 51.911 52.037 0.056 0.000 0.651 242 A CB 1.783 20.807 19.000 0.040 0.000 1.296 242 A HN 0.624 nan 8.150 nan 0.000 0.431 243 G N -1.134 107.691 108.800 0.042 0.000 2.718 243 G HA2 0.932 4.892 3.960 -0.000 0.000 0.295 243 G HA3 0.932 4.892 3.960 -0.000 0.000 0.295 243 G C -0.890 174.021 174.900 0.018 0.000 1.421 243 G CA 0.332 45.449 45.100 0.029 0.000 0.902 243 G HN 2.224 nan 8.290 nan 0.000 0.501 244 A N 0.791 123.620 122.820 0.015 0.000 2.540 244 A HA 0.808 5.128 4.320 -0.000 0.000 0.297 244 A C -1.289 176.305 177.584 0.017 0.000 1.056 244 A CA -0.464 51.579 52.037 0.010 0.000 0.700 244 A CB 1.129 20.131 19.000 0.003 0.000 1.280 244 A HN 0.841 nan 8.150 nan 0.000 0.398 245 L N 2.198 123.433 121.223 0.020 0.000 2.333 245 L HA 0.867 5.207 4.340 -0.000 0.000 0.263 245 L C -0.094 176.798 176.870 0.037 0.000 1.014 245 L CA -0.768 54.095 54.840 0.039 0.000 0.820 245 L CB 2.344 44.437 42.059 0.057 0.000 1.352 245 L HN 0.952 nan 8.230 nan 0.000 0.421 246 M N 1.237 120.871 119.600 0.057 0.000 2.550 246 M HA 0.624 5.104 4.480 -0.000 0.000 0.292 246 M C -1.851 174.501 176.300 0.087 0.000 1.221 246 M CA -0.825 54.506 55.300 0.052 0.000 0.873 246 M CB 2.576 35.201 32.600 0.042 0.000 1.727 246 M HN 0.347 nan 8.290 nan 0.000 0.459 247 L N 4.176 125.440 121.223 0.068 0.000 2.282 247 L HA 0.740 5.080 4.340 -0.000 0.000 0.288 247 L C -0.939 175.965 176.870 0.057 0.000 1.033 247 L CA -0.501 54.386 54.840 0.077 0.000 0.807 247 L CB 1.264 43.336 42.059 0.021 0.000 1.209 247 L HN 0.809 nan 8.230 nan 0.000 0.423 248 I N 2.139 122.756 120.570 0.078 0.000 2.785 248 I HA 0.841 5.011 4.170 -0.000 0.000 0.302 248 I C -1.168 174.969 176.117 0.032 0.000 1.069 248 I CA -0.442 60.903 61.300 0.073 0.000 1.045 248 I CB 2.265 40.338 38.000 0.122 0.000 1.236 248 I HN 0.793 nan 8.210 nan 0.000 0.429 249 E N 2.058 122.268 120.200 0.017 0.000 2.423 249 E HA 0.318 4.668 4.350 -0.000 0.000 0.280 249 E C -1.119 175.493 176.600 0.020 0.000 1.030 249 E CA -0.991 55.383 56.400 -0.042 0.000 0.812 249 E CB 1.410 31.047 29.700 -0.105 0.000 1.313 249 E HN 0.753 nan 8.360 nan 0.000 0.456 250 T N -1.813 112.752 114.554 0.019 0.000 2.903 250 T HA -0.009 4.341 4.350 -0.000 0.000 0.314 250 T C 0.988 175.746 174.700 0.097 0.000 1.078 250 T CA 0.282 62.423 62.100 0.068 0.000 1.114 250 T CB 1.231 70.141 68.868 0.070 0.000 0.987 250 T HN 0.732 nan 8.240 nan 0.000 0.548 251 E N 0.614 120.874 120.200 0.101 0.000 2.118 251 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 251 E C 2.008 178.661 176.600 0.089 0.000 0.992 251 E CA 1.508 57.968 56.400 0.101 0.000 0.804 251 E CB -0.058 29.724 29.700 0.137 0.000 0.741 251 E HN 0.926 nan 8.360 nan 0.000 0.458 252 E N -0.132 120.123 120.200 0.091 0.000 2.058 252 E HA -0.287 4.062 4.350 -0.000 0.000 0.194 252 E C 2.199 178.843 176.600 0.072 0.000 0.997 252 E CA 1.263 57.707 56.400 0.073 0.000 0.801 252 E CB -0.285 29.457 29.700 0.070 0.000 0.746 252 E HN 0.407 nan 8.360 nan 0.000 0.450 253 H N 0.188 119.260 119.070 0.004 0.000 2.321 253 H HA -0.087 4.469 4.556 -0.000 0.000 0.300 253 H C 1.918 177.226 175.328 -0.034 0.000 1.087 253 H CA 1.866 57.906 56.048 -0.013 0.000 1.319 253 H CB -0.159 29.598 29.762 -0.009 0.000 1.379 253 H HN 0.305 nan 8.280 nan 0.000 0.501 254 A N 1.436 124.333 122.820 0.127 0.000 1.883 254 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 254 A C 2.529 180.090 177.584 -0.039 0.000 1.186 254 A CA 1.895 53.947 52.037 0.025 0.000 0.624 254 A CB -0.618 18.378 19.000 -0.008 0.000 0.822 254 A HN 0.453 nan 8.150 nan 0.000 0.444 255 K N -0.456 119.934 120.400 -0.016 0.000 2.032 255 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 255 K C 2.210 178.781 176.600 -0.048 0.000 1.048 255 K CA 1.273 57.550 56.287 -0.018 0.000 0.927 255 K CB -0.372 32.137 32.500 0.015 0.000 0.712 255 K HN 0.383 nan 8.250 nan 0.000 0.441 256 A N 2.030 124.805 122.820 -0.075 0.000 1.948 256 A HA -0.217 4.102 4.320 -0.000 0.000 0.220 256 A C 1.918 179.426 177.584 -0.127 0.000 1.177 256 A CA 2.006 53.979 52.037 -0.106 0.000 0.636 256 A CB -0.530 18.380 19.000 -0.151 0.000 0.815 256 A HN 0.588 nan 8.150 nan 0.000 0.449 257 R N -1.889 118.517 120.500 -0.156 0.000 2.362 257 R HA 0.389 4.729 4.340 -0.000 0.000 0.227 257 R C 0.983 177.219 176.300 -0.106 0.000 0.905 257 R CA 0.668 56.681 56.100 -0.145 0.000 1.067 257 R CB -0.466 29.718 30.300 -0.193 0.000 1.078 257 R HN 0.810 nan 8.270 nan 0.000 0.516 258 G N 0.553 109.302 108.800 -0.085 0.000 2.160 258 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.244 258 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.244 258 G C 0.135 174.988 174.900 -0.078 0.000 1.022 258 G CA 0.079 45.139 45.100 -0.068 0.000 0.741 258 G HN 0.657 nan 8.290 nan 0.000 0.508 259 A N -0.142 122.623 122.820 -0.092 0.000 2.309 259 A HA 0.688 5.008 4.320 -0.000 0.000 0.290 259 A C 0.531 178.038 177.584 -0.128 0.000 1.206 259 A CA -0.030 51.942 52.037 -0.108 0.000 0.850 259 A CB 0.695 19.628 19.000 -0.112 0.000 1.118 259 A HN 0.649 nan 8.150 nan 0.000 0.523 260 K N 4.255 124.577 120.400 -0.130 0.000 2.316 260 K HA 0.399 4.718 4.320 -0.000 0.000 0.289 260 K C -2.734 173.716 176.600 -0.250 0.000 1.070 260 K CA -2.091 54.094 56.287 -0.171 0.000 0.928 260 K CB 0.137 32.582 32.500 -0.092 0.000 1.039 260 K HN 0.346 nan 8.250 nan 0.000 0.480 261 P HA 0.042 nan 4.420 nan 0.000 0.269 261 P C 0.080 177.214 177.300 -0.277 0.000 1.209 261 P CA -0.051 62.772 63.100 -0.461 0.000 0.776 261 P CB 0.602 31.735 31.700 -0.945 0.000 0.876 262 L N 0.722 121.861 121.223 -0.139 0.000 2.416 262 L HA 0.400 4.740 4.340 -0.000 0.000 0.216 262 L C 1.006 177.869 176.870 -0.011 0.000 1.098 262 L CA 0.427 55.223 54.840 -0.075 0.000 0.840 262 L CB -0.152 41.846 42.059 -0.101 0.000 0.981 262 L HN 0.452 nan 8.230 nan 0.000 0.462 263 A N -0.297 122.543 122.820 0.033 0.000 2.438 263 A HA 0.642 4.962 4.320 -0.000 0.000 0.301 263 A C -1.274 176.429 177.584 0.199 0.000 1.101 263 A CA -0.736 51.383 52.037 0.136 0.000 0.621 263 A CB 0.968 20.024 19.000 0.093 0.000 1.350 263 A HN 0.019 nan 8.150 nan 0.000 0.496 264 R N -0.558 120.104 120.500 0.270 0.000 2.589 264 R HA 0.610 4.950 4.340 -0.000 0.000 0.293 264 R C -1.419 175.031 176.300 0.250 0.000 0.963 264 R CA -0.758 55.496 56.100 0.257 0.000 0.905 264 R CB 1.865 32.317 30.300 0.254 0.000 1.144 264 R HN 0.523 nan 8.270 nan 0.000 0.459 265 L N 4.638 125.944 121.223 0.139 0.000 2.277 265 L HA 0.282 4.622 4.340 -0.000 0.000 0.284 265 L C -0.163 176.589 176.870 -0.196 0.000 1.028 265 L CA 0.217 54.959 54.840 -0.163 0.000 0.835 265 L CB 0.959 42.950 42.059 -0.112 0.000 1.215 265 L HN 0.745 nan 8.230 nan 0.000 0.425 266 L N 4.390 125.408 121.223 -0.342 0.000 2.463 266 L HA 0.583 4.923 4.340 -0.000 0.000 0.219 266 L C 0.957 177.529 176.870 -0.496 0.000 1.088 266 L CA 0.359 55.081 54.840 -0.196 0.000 0.849 266 L CB -0.130 41.884 42.059 -0.075 0.000 1.012 266 L HN 0.762 nan 8.230 nan 0.000 0.468 267 G N -0.312 107.850 108.800 -1.064 0.000 2.461 267 G HA2 0.640 4.600 3.960 -0.000 0.000 0.293 267 G HA3 0.640 4.600 3.960 -0.000 0.000 0.293 267 G C -2.173 172.039 174.900 -1.147 0.000 1.528 267 G CA 0.077 44.402 45.100 -1.292 0.000 0.806 267 G HN 0.045 nan 8.290 nan 0.000 0.537 268 A N -0.642 121.601 122.820 -0.961 0.000 2.488 268 A HA 0.945 5.265 4.320 -0.000 0.000 0.298 268 A C -0.126 177.292 177.584 -0.277 0.000 1.044 268 A CA 0.012 51.724 52.037 -0.541 0.000 0.693 268 A CB 1.903 20.617 19.000 -0.476 0.000 1.272 268 A HN 2.124 nan 8.150 nan 0.000 0.402 269 G N 0.778 109.462 108.800 -0.194 0.000 2.530 269 G HA2 0.610 4.570 3.960 -0.000 0.000 0.316 269 G HA3 0.610 4.570 3.960 -0.000 0.000 0.316 269 G C -1.071 173.788 174.900 -0.068 0.000 1.298 269 G CA -0.402 44.639 45.100 -0.098 0.000 0.948 269 G HN 0.642 nan 8.290 nan 0.000 0.486 270 I N 2.259 122.810 120.570 -0.031 0.000 2.418 270 I HA 0.503 4.673 4.170 -0.000 0.000 0.287 270 I C 0.392 176.537 176.117 0.047 0.000 1.008 270 I CA -0.496 60.807 61.300 0.005 0.000 1.104 270 I CB 2.444 40.442 38.000 -0.003 0.000 1.264 270 I HN 0.657 nan 8.210 nan 0.000 0.438 271 T N 1.463 116.061 114.554 0.074 0.000 2.804 271 T HA 0.823 5.173 4.350 -0.000 0.000 0.290 271 T C -0.442 174.318 174.700 0.100 0.000 1.099 271 T CA -0.757 61.390 62.100 0.078 0.000 1.011 271 T CB 1.925 70.831 68.868 0.063 0.000 1.291 271 T HN 0.509 nan 8.240 nan 0.000 0.523 272 S N -0.610 115.134 115.700 0.074 0.000 2.595 272 S HA 0.548 5.018 4.470 -0.000 0.000 0.281 272 S C -0.444 174.179 174.600 0.039 0.000 1.117 272 S CA -0.802 57.430 58.200 0.052 0.000 0.873 272 S CB 1.879 65.100 63.200 0.035 0.000 1.108 272 S HN 0.633 nan 8.310 nan 0.000 0.477 273 D N 1.163 121.583 120.400 0.033 0.000 2.249 273 D HA 0.228 4.868 4.640 -0.000 0.000 0.205 273 D C 1.295 177.646 176.300 0.085 0.000 0.962 273 D CA 1.256 55.292 54.000 0.061 0.000 0.860 273 D CB -0.508 40.355 40.800 0.105 0.000 0.955 273 D HN 1.060 nan 8.370 nan 0.000 0.505 274 A N 0.149 123.001 122.820 0.053 0.000 2.311 274 A HA -0.256 4.064 4.320 -0.000 0.000 0.284 274 A C 0.706 178.366 177.584 0.127 0.000 1.409 274 A CA 0.905 52.972 52.037 0.049 0.000 0.764 274 A CB -2.039 16.981 19.000 0.033 0.000 1.095 274 A HN 0.394 nan 8.150 nan 0.000 0.369 275 F N -0.604 119.339 119.950 -0.013 0.000 2.532 275 F HA 0.397 4.924 4.527 -0.000 0.000 0.276 275 F C 0.805 176.644 175.800 0.066 0.000 0.911 275 F CA 1.193 59.204 58.000 0.019 0.000 1.196 275 F CB 0.470 39.481 39.000 0.019 0.000 1.087 275 F HN 0.580 nan 8.300 nan 0.000 0.775 276 H N 0.168 119.000 119.070 -0.398 0.000 3.016 276 H HA 0.312 4.868 4.556 -0.000 0.000 0.362 276 H C 0.511 175.705 175.328 -0.223 0.000 1.233 276 H CA -0.472 55.273 56.048 -0.505 0.000 1.124 276 H CB 1.957 31.251 29.762 -0.780 0.000 1.850 276 H HN 0.034 nan 8.280 nan 0.000 0.549 277 M N 2.192 121.527 119.600 -0.441 0.000 2.229 277 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 277 M C 1.441 177.662 176.300 -0.132 0.000 1.063 277 M CA 1.321 56.478 55.300 -0.239 0.000 1.114 277 M CB -0.269 32.141 32.600 -0.317 0.000 1.387 277 M HN 0.463 nan 8.290 nan 0.000 0.420 278 V N -3.801 116.111 119.914 -0.004 0.000 3.261 278 V HA 0.705 4.825 4.120 -0.000 0.000 0.330 278 V C -0.072 175.941 176.094 -0.134 0.000 1.461 278 V CA -0.269 61.772 62.300 -0.433 0.000 1.127 278 V CB -0.368 30.991 31.823 -0.774 0.000 1.044 278 V HN 0.129 nan 8.190 nan 0.000 0.499 279 A N 1.477 124.350 122.820 0.088 0.000 2.455 279 A HA 0.967 5.287 4.320 -0.000 0.000 0.300 279 A C -3.237 174.511 177.584 0.273 0.000 1.040 279 A CA -1.587 50.515 52.037 0.109 0.000 0.697 279 A CB 1.827 20.781 19.000 -0.076 0.000 1.265 279 A HN 0.190 nan 8.150 nan 0.000 0.407 280 P HA 0.429 nan 4.420 nan 0.000 0.278 280 P C -0.015 177.294 177.300 0.015 0.000 1.238 280 P CA -0.048 63.116 63.100 0.106 0.000 0.794 280 P CB 1.179 32.857 31.700 -0.037 0.000 0.955 281 A N 2.447 125.197 122.820 -0.117 0.000 2.524 281 A HA 0.324 4.644 4.320 -0.000 0.000 0.250 281 A C 1.698 179.050 177.584 -0.388 0.000 1.078 281 A CA 0.362 52.077 52.037 -0.536 0.000 0.761 281 A CB -0.473 18.329 19.000 -0.330 0.000 1.012 281 A HN 0.615 nan 8.150 nan 0.000 0.500 282 A N 2.501 125.045 122.820 -0.459 0.000 1.933 282 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 282 A C 1.609 179.082 177.584 -0.184 0.000 1.175 282 A CA 1.966 53.852 52.037 -0.252 0.000 0.628 282 A CB -0.549 18.318 19.000 -0.221 0.000 0.814 282 A HN 0.945 nan 8.150 nan 0.000 0.444 283 D N -1.380 118.900 120.400 -0.200 0.000 2.350 283 D HA 0.134 4.774 4.640 -0.000 0.000 0.216 283 D C 1.323 177.560 176.300 -0.104 0.000 0.968 283 D CA 1.105 55.027 54.000 -0.130 0.000 0.894 283 D CB -1.009 39.721 40.800 -0.116 0.000 0.909 283 D HN 0.838 nan 8.370 nan 0.000 0.520 284 G N -0.270 108.453 108.800 -0.129 0.000 2.180 284 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.263 284 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.263 284 G C 1.129 175.983 174.900 -0.076 0.000 0.989 284 G CA 0.683 45.714 45.100 -0.115 0.000 0.692 284 G HN 0.387 nan 8.290 nan 0.000 0.526 285 V N 0.226 120.099 119.914 -0.069 0.000 2.307 285 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 285 V C 2.912 178.994 176.094 -0.020 0.000 1.045 285 V CA 2.390 64.666 62.300 -0.039 0.000 1.024 285 V CB -0.373 31.428 31.823 -0.037 0.000 0.651 285 V HN 0.426 nan 8.190 nan 0.000 0.449 286 R N 0.324 120.811 120.500 -0.022 0.000 2.090 286 R HA 0.084 4.424 4.340 -0.000 0.000 0.228 286 R C 2.352 178.670 176.300 0.030 0.000 1.110 286 R CA 1.372 57.476 56.100 0.007 0.000 0.973 286 R CB -1.304 29.005 30.300 0.014 0.000 0.869 286 R HN 0.516 nan 8.270 nan 0.000 0.440 287 A N 0.739 123.563 122.820 0.006 0.000 1.883 287 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 287 A C 2.422 180.074 177.584 0.113 0.000 1.186 287 A CA 1.921 54.005 52.037 0.078 0.000 0.624 287 A CB -1.179 17.730 19.000 -0.151 0.000 0.822 287 A HN 0.399 nan 8.150 nan 0.000 0.444 288 G N -0.435 108.392 108.800 0.046 0.000 2.442 288 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 288 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 288 G C 1.684 176.605 174.900 0.035 0.000 1.141 288 G CA 1.347 46.472 45.100 0.042 0.000 0.763 288 G HN 0.564 nan 8.290 nan 0.000 0.554 289 R N 1.177 121.694 120.500 0.029 0.000 2.120 289 R HA 0.149 4.489 4.340 -0.000 0.000 0.234 289 R C 2.638 178.954 176.300 0.026 0.000 1.123 289 R CA 1.749 57.863 56.100 0.023 0.000 0.975 289 R CB -0.754 29.558 30.300 0.021 0.000 0.866 289 R HN 0.230 nan 8.270 nan 0.000 0.446 290 A N 0.517 123.364 122.820 0.045 0.000 1.902 290 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 290 A C 2.217 179.801 177.584 -0.000 0.000 1.181 290 A CA 1.732 53.788 52.037 0.031 0.000 0.623 290 A CB -0.478 18.560 19.000 0.064 0.000 0.818 290 A HN 0.420 nan 8.150 nan 0.000 0.443 291 M N -0.846 118.765 119.600 0.019 0.000 2.065 291 M HA -0.154 4.326 4.480 -0.000 0.000 0.259 291 M C 2.283 178.567 176.300 -0.026 0.000 1.069 291 M CA 2.147 57.441 55.300 -0.010 0.000 1.110 291 M CB -1.080 31.530 32.600 0.016 0.000 1.328 291 M HN 0.399 nan 8.290 nan 0.000 0.405 292 T N -0.150 114.398 114.554 -0.009 0.000 2.684 292 T HA -0.181 4.168 4.350 -0.000 0.000 0.267 292 T C 1.805 176.492 174.700 -0.021 0.000 1.036 292 T CA 1.699 63.790 62.100 -0.014 0.000 1.148 292 T CB -0.338 68.528 68.868 -0.002 0.000 0.863 292 T HN 0.220 nan 8.240 nan 0.000 0.436 293 R N 1.859 122.350 120.500 -0.016 0.000 2.096 293 R HA -0.119 4.221 4.340 -0.000 0.000 0.240 293 R C 2.615 178.886 176.300 -0.050 0.000 1.139 293 R CA 2.316 58.407 56.100 -0.015 0.000 0.952 293 R CB -1.000 29.297 30.300 -0.005 0.000 0.854 293 R HN 0.505 nan 8.270 nan 0.000 0.436 294 S N -0.039 115.602 115.700 -0.098 0.000 2.383 294 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 294 S C 2.086 176.594 174.600 -0.154 0.000 1.030 294 S CA 1.431 59.521 58.200 -0.183 0.000 1.002 294 S CB -0.569 62.495 63.200 -0.227 0.000 0.829 294 S HN 0.388 nan 8.310 nan 0.000 0.467 295 L N 1.154 122.316 121.223 -0.101 0.000 2.056 295 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 295 L C 2.992 179.829 176.870 -0.056 0.000 1.078 295 L CA 1.707 56.494 54.840 -0.089 0.000 0.749 295 L CB -0.791 41.226 42.059 -0.070 0.000 0.901 295 L HN 0.412 nan 8.230 nan 0.000 0.433 296 E N 0.520 120.706 120.200 -0.024 0.000 2.049 296 E HA -0.254 4.096 4.350 -0.000 0.000 0.198 296 E C 2.298 178.934 176.600 0.059 0.000 1.007 296 E CA 1.345 57.752 56.400 0.013 0.000 0.809 296 E CB -0.263 29.454 29.700 0.029 0.000 0.749 296 E HN 0.453 nan 8.360 nan 0.000 0.450 297 L N 0.343 121.620 121.223 0.090 0.000 2.141 297 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 297 L C 2.482 179.495 176.870 0.237 0.000 1.094 297 L CA 0.758 55.755 54.840 0.261 0.000 0.763 297 L CB -0.305 41.901 42.059 0.245 0.000 0.908 297 L HN 0.129 nan 8.230 nan 0.000 0.437 298 A N -0.342 122.498 122.820 0.033 0.000 2.014 298 A HA 0.170 4.490 4.320 -0.000 0.000 0.218 298 A C 1.779 179.372 177.584 0.016 0.000 1.163 298 A CA 1.020 53.057 52.037 -0.000 0.000 0.652 298 A CB -0.480 18.445 19.000 -0.126 0.000 0.808 298 A HN 0.506 nan 8.150 nan 0.000 0.449 299 G N -1.539 107.260 108.800 -0.002 0.000 2.142 299 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.225 299 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.225 299 G C -0.094 174.754 174.900 -0.085 0.000 1.015 299 G CA 0.295 45.381 45.100 -0.023 0.000 0.716 299 G HN 0.439 nan 8.290 nan 0.000 0.508 300 L N 0.371 121.519 121.223 -0.125 0.000 2.313 300 L HA 0.837 5.177 4.340 -0.000 0.000 0.268 300 L C 0.944 177.747 176.870 -0.111 0.000 1.010 300 L CA -0.493 54.235 54.840 -0.188 0.000 0.814 300 L CB 1.969 43.850 42.059 -0.296 0.000 1.304 300 L HN 0.410 nan 8.230 nan 0.000 0.441 301 S N -0.706 114.935 115.700 -0.098 0.000 2.664 301 S HA 0.508 4.977 4.470 -0.000 0.000 0.304 301 S C -2.252 172.324 174.600 -0.040 0.000 1.099 301 S CA -1.389 56.780 58.200 -0.052 0.000 1.003 301 S CB 1.886 65.068 63.200 -0.030 0.000 1.092 301 S HN 0.332 nan 8.310 nan 0.000 0.525 302 P HA -0.077 nan 4.420 nan 0.000 0.217 302 P C 1.432 178.741 177.300 0.014 0.000 1.148 302 P CA 1.986 65.083 63.100 -0.004 0.000 0.828 302 P CB -0.224 31.476 31.700 -0.000 0.000 0.783 303 A N -0.375 122.455 122.820 0.016 0.000 2.070 303 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 303 A C 1.776 179.398 177.584 0.064 0.000 1.159 303 A CA 1.706 53.765 52.037 0.036 0.000 0.656 303 A CB -1.082 17.936 19.000 0.030 0.000 0.800 303 A HN 0.111 nan 8.150 nan 0.000 0.453 304 D N -0.170 120.261 120.400 0.052 0.000 2.317 304 D HA 0.010 4.650 4.640 -0.000 0.000 0.211 304 D C 0.317 176.745 176.300 0.213 0.000 0.966 304 D CA 0.375 54.445 54.000 0.116 0.000 0.876 304 D CB -0.072 40.678 40.800 -0.084 0.000 0.927 304 D HN 0.243 nan 8.370 nan 0.000 0.519 305 I N 2.327 122.973 120.570 0.126 0.000 2.347 305 I HA -0.005 4.164 4.170 -0.000 0.000 0.294 305 I C 0.976 177.193 176.117 0.167 0.000 1.090 305 I CA -0.032 61.357 61.300 0.148 0.000 1.314 305 I CB 0.678 38.720 38.000 0.070 0.000 1.423 305 I HN -0.199 nan 8.210 nan 0.000 0.503 306 D N 3.495 124.036 120.400 0.235 0.000 2.305 306 D HA -0.032 4.608 4.640 -0.000 0.000 0.206 306 D C 0.519 176.992 176.300 0.288 0.000 0.974 306 D CA 1.082 55.245 54.000 0.271 0.000 0.871 306 D CB 0.378 41.383 40.800 0.342 0.000 0.947 306 D HN 0.576 nan 8.370 nan 0.000 0.516 307 H N -0.507 118.614 119.070 0.086 0.000 2.865 307 H HA 0.436 4.991 4.556 -0.000 0.000 0.362 307 H C -1.709 173.623 175.328 0.006 0.000 1.114 307 H CA -0.674 55.353 56.048 -0.034 0.000 1.208 307 H CB 1.390 31.029 29.762 -0.204 0.000 1.727 307 H HN -0.367 nan 8.280 nan 0.000 0.534 308 V N 5.341 125.007 119.914 -0.414 0.000 2.409 308 V HA 0.239 4.359 4.120 -0.000 0.000 0.291 308 V C 0.106 175.843 176.094 -0.596 0.000 1.020 308 V CA -1.027 61.024 62.300 -0.415 0.000 0.848 308 V CB 1.273 33.010 31.823 -0.143 0.000 0.990 308 V HN 0.809 nan 8.190 nan 0.000 0.430 309 N N 4.012 122.395 118.700 -0.528 0.000 2.415 309 N HA 0.347 5.087 4.740 -0.000 0.000 0.246 309 N C -0.030 175.423 175.510 -0.095 0.000 1.078 309 N CA -0.106 52.817 53.050 -0.212 0.000 0.942 309 N CB 1.601 40.046 38.487 -0.070 0.000 1.140 309 N HN 0.832 nan 8.380 nan 0.000 0.501 310 A N 3.048 125.855 122.820 -0.023 0.000 2.354 310 A HA 0.111 4.431 4.320 -0.000 0.000 0.269 310 A C 1.159 178.769 177.584 0.042 0.000 1.109 310 A CA -0.294 51.797 52.037 0.091 0.000 0.800 310 A CB 0.318 19.501 19.000 0.305 0.000 1.045 310 A HN 0.902 nan 8.150 nan 0.000 0.489 311 H N 2.500 121.560 119.070 -0.017 0.000 2.352 311 H HA 0.003 4.558 4.556 -0.000 0.000 0.299 311 H C 1.598 176.857 175.328 -0.116 0.000 1.097 311 H CA 1.858 57.849 56.048 -0.095 0.000 1.311 311 H CB -0.356 29.394 29.762 -0.020 0.000 1.377 311 H HN 1.238 nan 8.280 nan 0.000 0.504 312 G N 0.420 109.181 108.800 -0.065 0.000 2.306 312 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.274 312 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.274 312 G C 1.094 175.755 174.900 -0.399 0.000 0.890 312 G CA 0.929 45.825 45.100 -0.339 0.000 1.298 312 G HN 0.774 nan 8.290 nan 0.000 0.445 313 T N -2.165 112.190 114.554 -0.330 0.000 3.023 313 T HA 0.384 4.734 4.350 -0.000 0.000 0.266 313 T C 1.964 176.603 174.700 -0.102 0.000 1.093 313 T CA 1.591 63.542 62.100 -0.248 0.000 1.129 313 T CB 0.007 68.817 68.868 -0.097 0.000 0.899 313 T HN 2.369 nan 8.240 nan 0.000 0.491 314 A N 0.771 123.490 122.820 -0.168 0.000 3.168 314 A HA -0.121 4.199 4.320 -0.000 0.000 0.249 314 A C 0.831 178.400 177.584 -0.026 0.000 1.280 314 A CA 0.933 52.902 52.037 -0.114 0.000 1.128 314 A CB -2.950 16.008 19.000 -0.069 0.000 1.160 314 A HN 1.356 nan 8.150 nan 0.000 0.900 315 T N -2.721 111.845 114.554 0.020 0.000 2.913 315 T HA 0.523 4.873 4.350 -0.000 0.000 0.297 315 T C -0.999 173.713 174.700 0.020 0.000 1.029 315 T CA -0.875 61.261 62.100 0.060 0.000 1.104 315 T CB 1.113 70.063 68.868 0.137 0.000 0.964 315 T HN 0.059 nan 8.240 nan 0.000 0.532 316 P HA -0.090 nan 4.420 nan 0.000 0.214 316 P C 1.748 179.065 177.300 0.029 0.000 1.163 316 P CA 1.164 64.278 63.100 0.023 0.000 0.883 316 P CB -0.155 31.558 31.700 0.022 0.000 0.788 317 I N -4.097 116.494 120.570 0.036 0.000 2.617 317 I HA 0.086 4.256 4.170 -0.000 0.000 0.256 317 I C 2.137 178.273 176.117 0.032 0.000 1.167 317 I CA 1.543 62.861 61.300 0.030 0.000 1.469 317 I CB -1.410 36.606 38.000 0.026 0.000 1.098 317 I HN -0.158 nan 8.210 nan 0.000 0.436 318 G N 1.627 110.459 108.800 0.054 0.000 2.421 318 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 318 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 318 G C 1.126 176.046 174.900 0.034 0.000 1.171 318 G CA 1.175 46.311 45.100 0.059 0.000 0.775 318 G HN 0.383 nan 8.290 nan 0.000 0.543 319 D N 1.069 121.461 120.400 -0.013 0.000 2.144 319 D HA 0.000 4.640 4.640 -0.000 0.000 0.199 319 D C 2.778 179.193 176.300 0.191 0.000 0.984 319 D CA 1.159 55.148 54.000 -0.017 0.000 0.834 319 D CB -0.517 40.114 40.800 -0.282 0.000 0.955 319 D HN 0.309 nan 8.370 nan 0.000 0.465 320 A N 1.107 123.993 122.820 0.111 0.000 1.902 320 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 320 A C 2.323 179.938 177.584 0.052 0.000 1.181 320 A CA 2.300 54.394 52.037 0.094 0.000 0.623 320 A CB -0.812 18.218 19.000 0.049 0.000 0.818 320 A HN 0.239 nan 8.150 nan 0.000 0.443 321 A N -0.423 122.401 122.820 0.006 0.000 1.902 321 A HA -0.193 4.126 4.320 -0.000 0.000 0.217 321 A C 2.042 179.589 177.584 -0.062 0.000 1.181 321 A CA 1.887 53.886 52.037 -0.063 0.000 0.623 321 A CB -0.567 18.361 19.000 -0.120 0.000 0.818 321 A HN 0.677 nan 8.150 nan 0.000 0.443 322 E N -0.215 119.985 120.200 0.000 0.000 2.106 322 E HA -0.087 4.262 4.350 -0.000 0.000 0.192 322 E C 2.078 178.757 176.600 0.132 0.000 0.984 322 E CA 0.968 57.416 56.400 0.080 0.000 0.806 322 E CB -0.258 29.614 29.700 0.287 0.000 0.750 322 E HN 0.535 nan 8.360 nan 0.000 0.458 323 A N 1.172 124.090 122.820 0.165 0.000 1.933 323 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 323 A C 1.942 179.542 177.584 0.027 0.000 1.175 323 A CA 1.600 53.682 52.037 0.076 0.000 0.628 323 A CB -0.591 18.463 19.000 0.090 0.000 0.814 323 A HN 0.259 nan 8.150 nan 0.000 0.444 324 N N 0.481 119.191 118.700 0.017 0.000 2.120 324 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 324 N C 1.927 177.430 175.510 -0.012 0.000 1.024 324 N CA 1.585 54.629 53.050 -0.010 0.000 0.852 324 N CB -0.630 37.837 38.487 -0.033 0.000 1.003 324 N HN 0.458 nan 8.380 nan 0.000 0.424 325 A N 1.328 124.140 122.820 -0.014 0.000 1.883 325 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 325 A C 2.343 179.945 177.584 0.030 0.000 1.186 325 A CA 1.108 53.145 52.037 0.000 0.000 0.624 325 A CB -0.788 18.212 19.000 -0.001 0.000 0.822 325 A HN 0.245 nan 8.150 nan 0.000 0.444 326 I N -0.991 119.603 120.570 0.041 0.000 2.226 326 I HA -0.272 3.897 4.170 -0.000 0.000 0.245 326 I C 2.723 178.844 176.117 0.007 0.000 1.100 326 I CA 1.813 63.130 61.300 0.027 0.000 1.374 326 I CB -0.320 37.686 38.000 0.010 0.000 1.057 326 I HN 0.416 nan 8.210 nan 0.000 0.413 327 R N 0.971 121.471 120.500 0.000 0.000 2.066 327 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 327 R C 2.330 178.629 176.300 -0.002 0.000 1.131 327 R CA 1.481 57.579 56.100 -0.004 0.000 0.955 327 R CB -0.304 29.992 30.300 -0.007 0.000 0.851 327 R HN 0.111 nan 8.270 nan 0.000 0.432 328 V N 1.355 121.267 119.914 -0.003 0.000 2.370 328 V HA -0.280 3.840 4.120 -0.000 0.000 0.252 328 V C 2.339 178.433 176.094 0.001 0.000 1.068 328 V CA 2.101 64.399 62.300 -0.003 0.000 1.061 328 V CB -0.690 31.128 31.823 -0.007 0.000 0.656 328 V HN 0.604 nan 8.190 nan 0.000 0.455 329 A N -1.013 121.811 122.820 0.007 0.000 2.206 329 A HA 0.360 4.679 4.320 -0.000 0.000 0.211 329 A C 1.938 179.524 177.584 0.003 0.000 1.158 329 A CA 1.073 53.114 52.037 0.007 0.000 0.761 329 A CB -0.454 18.555 19.000 0.015 0.000 0.801 329 A HN 1.338 nan 8.150 nan 0.000 0.473 330 G N -2.600 106.202 108.800 0.003 0.000 2.137 330 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.237 330 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.237 330 G C 0.411 175.315 174.900 0.006 0.000 1.002 330 G CA 0.248 45.350 45.100 0.004 0.000 0.702 330 G HN 0.645 nan 8.290 nan 0.000 0.515 331 C N 1.038 120.341 119.300 0.006 0.000 2.881 331 C HA 0.301 4.761 4.460 -0.000 0.000 0.290 331 C C 1.875 176.866 174.990 0.002 0.000 1.362 331 C CA 0.104 59.127 59.018 0.008 0.000 1.757 331 C CB -0.351 27.393 27.740 0.006 0.000 2.265 331 C HN 0.696 nan 8.230 nan 0.000 0.600 332 D N 0.131 120.530 120.400 -0.002 0.000 2.378 332 D HA -0.108 4.532 4.640 -0.000 0.000 0.227 332 D C 1.620 177.916 176.300 -0.007 0.000 1.012 332 D CA 0.912 54.904 54.000 -0.014 0.000 0.905 332 D CB -0.154 40.636 40.800 -0.018 0.000 0.895 332 D HN 0.346 nan 8.370 nan 0.000 0.532 333 Q N 0.086 119.892 119.800 0.010 0.000 2.356 333 Q HA 0.309 4.649 4.340 -0.000 0.000 0.205 333 Q C 0.663 176.686 176.000 0.038 0.000 0.901 333 Q CA 0.116 55.932 55.803 0.022 0.000 0.938 333 Q CB 0.446 29.201 28.738 0.029 0.000 1.081 333 Q HN 0.403 nan 8.270 nan 0.000 0.517 334 A N 1.170 124.012 122.820 0.038 0.000 2.425 334 A HA 0.489 4.809 4.320 -0.000 0.000 0.242 334 A C 0.082 177.700 177.584 0.057 0.000 1.077 334 A CA 0.170 52.246 52.037 0.064 0.000 0.781 334 A CB 0.236 19.268 19.000 0.052 0.000 1.020 334 A HN 0.244 nan 8.150 nan 0.000 0.494 335 A N 1.632 124.515 122.820 0.105 0.000 2.404 335 A HA 0.510 4.830 4.320 -0.000 0.000 0.273 335 A C -0.072 177.585 177.584 0.122 0.000 1.144 335 A CA -0.176 51.915 52.037 0.090 0.000 0.806 335 A CB -0.193 18.869 19.000 0.103 0.000 1.080 335 A HN 0.966 nan 8.150 nan 0.000 0.509 336 V N 3.746 123.686 119.914 0.043 0.000 2.435 336 V HA 0.348 4.468 4.120 -0.000 0.000 0.290 336 V C -0.726 175.450 176.094 0.137 0.000 1.030 336 V CA -0.425 61.892 62.300 0.030 0.000 0.881 336 V CB 1.310 33.049 31.823 -0.140 0.000 0.983 336 V HN 0.783 nan 8.190 nan 0.000 0.445 337 Y N 3.747 124.090 120.300 0.072 0.000 2.393 337 Y HA 0.746 5.296 4.550 -0.000 0.000 0.341 337 Y C -0.037 175.913 175.900 0.082 0.000 0.988 337 Y CA -1.793 56.354 58.100 0.078 0.000 1.078 337 Y CB 1.856 40.419 38.460 0.171 0.000 1.203 337 Y HN 0.633 nan 8.280 nan 0.000 0.453 338 A N 8.819 131.538 122.820 -0.168 0.000 2.508 338 A HA 0.480 4.800 4.320 -0.000 0.000 0.336 338 A C -2.311 174.889 177.584 -0.641 0.000 1.360 338 A CA -1.573 50.277 52.037 -0.311 0.000 0.841 338 A CB 0.363 19.340 19.000 -0.038 0.000 1.136 338 A HN 0.610 nan 8.150 nan 0.000 0.489 339 P HA -0.150 nan 4.420 nan 0.000 0.220 339 P C 1.023 178.140 177.300 -0.305 0.000 1.148 339 P CA 1.174 63.831 63.100 -0.738 0.000 0.803 339 P CB 0.187 31.587 31.700 -0.501 0.000 0.782 340 K N 0.316 120.538 120.400 -0.296 0.000 2.360 340 K HA -0.073 4.247 4.320 -0.000 0.000 0.201 340 K C 2.195 178.719 176.600 -0.126 0.000 1.046 340 K CA 1.467 57.627 56.287 -0.212 0.000 0.945 340 K CB -0.444 31.875 32.500 -0.300 0.000 0.750 340 K HN 0.260 nan 8.250 nan 0.000 0.464 341 S N 0.500 116.127 115.700 -0.121 0.000 2.400 341 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 341 S C 2.017 176.613 174.600 -0.007 0.000 1.025 341 S CA 1.115 59.289 58.200 -0.043 0.000 0.993 341 S CB -0.048 63.149 63.200 -0.005 0.000 0.808 341 S HN 0.328 nan 8.310 nan 0.000 0.478 342 A N 0.514 123.332 122.820 -0.004 0.000 2.026 342 A HA 0.581 4.901 4.320 -0.000 0.000 0.201 342 A C 1.921 179.516 177.584 0.018 0.000 1.318 342 A CA 0.046 52.100 52.037 0.029 0.000 0.857 342 A CB -0.102 18.942 19.000 0.072 0.000 0.939 342 A HN 0.431 nan 8.150 nan 0.000 0.476 343 L N -0.615 120.608 121.223 -0.000 0.000 2.616 343 L HA 0.363 4.703 4.340 -0.000 0.000 0.229 343 L C 1.363 178.232 176.870 -0.002 0.000 1.110 343 L CA 0.431 55.274 54.840 0.006 0.000 0.884 343 L CB -0.105 41.959 42.059 0.008 0.000 1.115 343 L HN 0.584 nan 8.230 nan 0.000 0.481 344 G N 0.090 108.881 108.800 -0.016 0.000 2.697 344 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.240 344 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.240 344 G C -0.650 174.267 174.900 0.029 0.000 1.346 344 G CA -0.482 44.633 45.100 0.025 0.000 0.887 344 G HN 0.263 nan 8.290 nan 0.000 0.569 345 H N 0.831 119.915 119.070 0.023 0.000 2.541 345 H HA 0.593 5.149 4.556 -0.000 0.000 0.316 345 H C 1.281 176.615 175.328 0.009 0.000 1.043 345 H CA -0.000 56.013 56.048 -0.057 0.000 1.232 345 H CB 0.939 30.593 29.762 -0.181 0.000 1.406 345 H HN 0.733 nan 8.280 nan 0.000 0.469 346 S N 5.436 121.273 115.700 0.228 0.000 2.583 346 S HA 0.142 4.612 4.470 -0.000 0.000 0.239 346 S C 1.315 175.949 174.600 0.057 0.000 0.966 346 S CA -0.434 57.819 58.200 0.089 0.000 0.973 346 S CB -0.217 63.008 63.200 0.042 0.000 0.794 346 S HN 0.568 nan 8.310 nan 0.000 0.463 347 I N 1.405 122.040 120.570 0.108 0.000 4.904 347 I HA -0.364 3.805 4.170 -0.000 0.000 0.038 347 I C 2.184 178.318 176.117 0.027 0.000 0.635 347 I CA 1.925 63.170 61.300 -0.093 0.000 0.226 347 I CB -2.230 35.642 38.000 -0.214 0.000 0.330 347 I HN 0.439 nan 8.210 nan 0.000 0.150 348 G N 0.107 108.905 108.800 -0.003 0.000 2.471 348 G HA2 0.110 4.070 3.960 -0.000 0.000 0.219 348 G HA3 0.110 4.070 3.960 -0.000 0.000 0.219 348 G C 1.449 176.362 174.900 0.021 0.000 1.125 348 G CA 1.686 46.793 45.100 0.012 0.000 0.775 348 G HN 1.000 nan 8.290 nan 0.000 0.548 349 A N -0.273 122.562 122.820 0.025 0.000 2.081 349 A HA 0.351 4.670 4.320 -0.000 0.000 0.214 349 A C 2.356 179.955 177.584 0.024 0.000 1.158 349 A CA 0.970 53.022 52.037 0.025 0.000 0.724 349 A CB -0.259 18.757 19.000 0.028 0.000 0.826 349 A HN 0.242 nan 8.150 nan 0.000 0.463 350 V N 0.176 120.111 119.914 0.037 0.000 2.407 350 V HA -0.162 3.957 4.120 -0.000 0.000 0.248 350 V C 2.442 178.529 176.094 -0.011 0.000 1.055 350 V CA 2.354 64.658 62.300 0.007 0.000 1.049 350 V CB -0.691 31.121 31.823 -0.018 0.000 0.662 350 V HN 0.541 nan 8.190 nan 0.000 0.455 351 G N -1.305 107.501 108.800 0.009 0.000 2.443 351 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.219 351 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.219 351 G C 1.675 176.574 174.900 -0.003 0.000 1.131 351 G CA 0.885 45.980 45.100 -0.007 0.000 0.775 351 G HN 0.681 nan 8.290 nan 0.000 0.547 352 A N 0.482 123.305 122.820 0.006 0.000 1.898 352 A HA 0.185 4.505 4.320 -0.000 0.000 0.214 352 A C 2.282 179.862 177.584 -0.006 0.000 1.183 352 A CA 1.428 53.473 52.037 0.013 0.000 0.622 352 A CB -0.372 18.640 19.000 0.020 0.000 0.824 352 A HN 0.435 nan 8.150 nan 0.000 0.444 353 L N 0.387 121.605 121.223 -0.009 0.000 2.012 353 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 353 L C 2.013 178.865 176.870 -0.031 0.000 1.073 353 L CA 2.586 57.417 54.840 -0.015 0.000 0.748 353 L CB -0.695 41.361 42.059 -0.005 0.000 0.891 353 L HN 0.513 nan 8.230 nan 0.000 0.431 354 E N -0.960 119.218 120.200 -0.036 0.000 2.208 354 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 354 E C 2.073 178.638 176.600 -0.059 0.000 0.988 354 E CA 1.030 57.406 56.400 -0.041 0.000 0.828 354 E CB -0.040 29.621 29.700 -0.065 0.000 0.763 354 E HN 0.521 nan 8.360 nan 0.000 0.478 355 S N 0.374 116.039 115.700 -0.058 0.000 2.387 355 S HA -0.101 4.369 4.470 -0.000 0.000 0.226 355 S C 2.188 176.601 174.600 -0.311 0.000 1.026 355 S CA 0.611 58.743 58.200 -0.114 0.000 0.972 355 S CB -0.033 63.214 63.200 0.080 0.000 0.814 355 S HN 0.064 nan 8.310 nan 0.000 0.477 356 V N 2.420 122.219 119.914 -0.191 0.000 2.343 356 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 356 V C 2.147 178.057 176.094 -0.307 0.000 1.051 356 V CA 1.546 63.707 62.300 -0.232 0.000 1.036 356 V CB -0.733 31.008 31.823 -0.137 0.000 0.654 356 V HN 0.439 nan 8.190 nan 0.000 0.451 357 L N -0.495 120.606 121.223 -0.203 0.000 2.141 357 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 357 L C 2.594 179.341 176.870 -0.205 0.000 1.094 357 L CA 1.715 56.448 54.840 -0.178 0.000 0.763 357 L CB -1.069 41.068 42.059 0.129 0.000 0.908 357 L HN 0.363 nan 8.230 nan 0.000 0.437 358 T N -0.292 114.153 114.554 -0.181 0.000 2.708 358 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 358 T C 2.073 176.568 174.700 -0.343 0.000 1.037 358 T CA 1.371 63.364 62.100 -0.178 0.000 1.146 358 T CB -0.321 68.407 68.868 -0.234 0.000 0.865 358 T HN 0.042 nan 8.240 nan 0.000 0.435 359 V N 1.783 121.343 119.914 -0.590 0.000 2.250 359 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 359 V C 2.519 178.394 176.094 -0.364 0.000 1.060 359 V CA 1.730 63.739 62.300 -0.485 0.000 1.030 359 V CB -0.751 30.783 31.823 -0.481 0.000 0.643 359 V HN 0.459 nan 8.190 nan 0.000 0.445 360 L N -0.802 120.101 121.223 -0.535 0.000 2.141 360 L HA -0.157 4.182 4.340 -0.000 0.000 0.209 360 L C 2.593 179.178 176.870 -0.475 0.000 1.094 360 L CA 1.759 56.151 54.840 -0.746 0.000 0.763 360 L CB -1.001 40.085 42.059 -1.621 0.000 0.908 360 L HN 0.344 nan 8.230 nan 0.000 0.437 361 T N 0.455 114.821 114.554 -0.313 0.000 2.746 361 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 361 T C 1.963 176.690 174.700 0.045 0.000 1.039 361 T CA 1.321 63.412 62.100 -0.015 0.000 1.142 361 T CB -0.173 68.597 68.868 -0.163 0.000 0.866 361 T HN 0.197 nan 8.240 nan 0.000 0.444 362 L N 0.219 121.441 121.223 -0.002 0.000 2.072 362 L HA 0.015 4.355 4.340 -0.000 0.000 0.205 362 L C 2.818 179.716 176.870 0.046 0.000 1.079 362 L CA 1.143 56.020 54.840 0.061 0.000 0.752 362 L CB -0.479 41.609 42.059 0.048 0.000 0.906 362 L HN 0.122 nan 8.230 nan 0.000 0.436 363 R N 0.397 120.891 120.500 -0.010 0.000 2.080 363 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 363 R C 1.284 177.617 176.300 0.056 0.000 1.137 363 R CA 2.104 58.206 56.100 0.003 0.000 0.943 363 R CB -0.074 30.186 30.300 -0.067 0.000 0.846 363 R HN 0.292 nan 8.270 nan 0.000 0.431 364 D N -1.260 119.199 120.400 0.099 0.000 2.339 364 D HA 0.119 4.759 4.640 -0.000 0.000 0.217 364 D C 0.512 176.925 176.300 0.189 0.000 1.050 364 D CA 0.876 54.988 54.000 0.186 0.000 0.856 364 D CB 0.572 41.579 40.800 0.344 0.000 0.922 364 D HN 0.528 nan 8.370 nan 0.000 0.518 365 G N 1.112 110.015 108.800 0.172 0.000 2.323 365 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.292 365 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.292 365 G C -0.007 175.000 174.900 0.178 0.000 1.040 365 G CA 0.689 45.886 45.100 0.162 0.000 0.942 365 G HN 0.405 nan 8.290 nan 0.000 0.506 366 V N -0.101 119.926 119.914 0.189 0.000 3.012 366 V HA 0.755 4.875 4.120 -0.000 0.000 0.307 366 V C -0.622 175.368 176.094 -0.174 0.000 1.166 366 V CA -1.228 61.004 62.300 -0.114 0.000 0.974 366 V CB 2.038 33.467 31.823 -0.657 0.000 1.040 366 V HN 0.370 nan 8.190 nan 0.000 0.428 367 I N 7.227 127.568 120.570 -0.381 0.000 2.406 367 I HA 0.484 4.653 4.170 -0.000 0.000 0.290 367 I C -2.348 173.372 176.117 -0.661 0.000 0.999 367 I CA -2.115 58.832 61.300 -0.588 0.000 1.124 367 I CB 2.264 39.864 38.000 -0.666 0.000 1.289 367 I HN 0.486 nan 8.210 nan 0.000 0.441 368 P HA 0.138 nan 4.420 nan 0.000 0.271 368 P C -2.572 174.392 177.300 -0.559 0.000 1.244 368 P CA -1.149 61.490 63.100 -0.768 0.000 0.793 368 P CB -0.288 30.946 31.700 -0.778 0.000 0.984 369 P HA 0.084 nan 4.420 nan 0.000 0.284 369 P C -0.655 176.716 177.300 0.119 0.000 1.253 369 P CA 0.020 63.080 63.100 -0.067 0.000 0.800 369 P CB 0.125 31.811 31.700 -0.025 0.000 0.961 370 T N 4.284 118.949 114.554 0.185 0.000 2.751 370 T HA 0.176 4.526 4.350 -0.000 0.000 0.290 370 T C 0.710 175.502 174.700 0.154 0.000 0.919 370 T CA -0.102 62.123 62.100 0.209 0.000 1.136 370 T CB -0.480 68.445 68.868 0.095 0.000 0.875 370 T HN 0.179 nan 8.240 nan 0.000 0.532 371 L N 4.227 125.531 121.223 0.135 0.000 2.461 371 L HA 0.127 4.467 4.340 -0.000 0.000 0.272 371 L C 1.035 177.982 176.870 0.129 0.000 1.197 371 L CA -0.330 54.576 54.840 0.110 0.000 0.836 371 L CB 0.043 42.148 42.059 0.076 0.000 1.105 371 L HN 0.741 nan 8.230 nan 0.000 0.477 372 N N 0.053 118.826 118.700 0.122 0.000 2.948 372 N HA -0.273 4.467 4.740 -0.000 0.000 0.239 372 N C -0.316 175.292 175.510 0.164 0.000 0.954 372 N CA 0.817 53.934 53.050 0.111 0.000 0.941 372 N CB -1.359 37.175 38.487 0.079 0.000 1.101 372 N HN 0.618 nan 8.380 nan 0.000 0.579 373 Y N 2.213 122.547 120.300 0.056 0.000 2.570 373 Y HA 0.207 4.757 4.550 -0.000 0.000 0.336 373 Y C 1.336 177.268 175.900 0.053 0.000 1.284 373 Y CA 0.186 58.328 58.100 0.069 0.000 1.761 373 Y CB -0.196 38.320 38.460 0.093 0.000 1.724 373 Y HN 0.076 nan 8.280 nan 0.000 0.455 374 E N 0.758 120.886 120.200 -0.121 0.000 2.413 374 E HA 0.122 4.472 4.350 -0.000 0.000 0.203 374 E C -0.136 176.354 176.600 -0.182 0.000 0.957 374 E CA 0.437 56.767 56.400 -0.117 0.000 0.950 374 E CB 0.693 30.371 29.700 -0.037 0.000 0.957 374 E HN 0.301 nan 8.360 nan 0.000 0.497 375 T N 2.761 117.174 114.554 -0.235 0.000 3.133 375 T HA 0.257 4.607 4.350 -0.000 0.000 0.368 375 T C -2.769 171.777 174.700 -0.256 0.000 1.190 375 T CA -1.458 60.527 62.100 -0.192 0.000 1.282 375 T CB 1.293 70.104 68.868 -0.094 0.000 1.042 375 T HN -0.160 nan 8.240 nan 0.000 0.536 376 P HA -0.017 nan 4.420 nan 0.000 0.261 376 P C 0.104 177.368 177.300 -0.060 0.000 1.173 376 P CA -0.054 62.873 63.100 -0.287 0.000 0.760 376 P CB 0.402 32.001 31.700 -0.169 0.000 0.783 377 D N 5.526 125.954 120.400 0.046 0.000 2.451 377 D HA -0.024 4.616 4.640 -0.000 0.000 0.254 377 D C -1.337 174.999 176.300 0.059 0.000 1.204 377 D CA -1.501 52.541 54.000 0.070 0.000 0.896 377 D CB 0.548 41.428 40.800 0.133 0.000 1.136 377 D HN 0.163 nan 8.370 nan 0.000 0.499 378 P HA -0.123 nan 4.420 nan 0.000 0.217 378 P C 0.619 177.940 177.300 0.034 0.000 1.148 378 P CA 0.973 64.088 63.100 0.025 0.000 0.828 378 P CB 0.327 32.036 31.700 0.015 0.000 0.783 379 E N -1.146 119.079 120.200 0.042 0.000 2.465 379 E HA 0.155 4.505 4.350 -0.000 0.000 0.191 379 E C 0.512 177.145 176.600 0.056 0.000 1.053 379 E CA 0.141 56.565 56.400 0.041 0.000 0.869 379 E CB 0.157 29.878 29.700 0.036 0.000 0.977 379 E HN 0.364 nan 8.360 nan 0.000 0.483 380 I N 1.150 121.765 120.570 0.075 0.000 2.439 380 I HA 0.148 4.318 4.170 -0.000 0.000 0.285 380 I C -0.647 175.503 176.117 0.055 0.000 1.021 380 I CA -0.702 60.647 61.300 0.082 0.000 1.091 380 I CB 1.692 39.791 38.000 0.166 0.000 1.242 380 I HN -0.264 nan 8.210 nan 0.000 0.439 381 D N 8.174 128.585 120.400 0.017 0.000 2.483 381 D HA 0.504 5.144 4.640 -0.000 0.000 0.281 381 D C -1.035 175.248 176.300 -0.029 0.000 1.174 381 D CA 0.008 54.014 54.000 0.009 0.000 0.938 381 D CB 0.478 41.284 40.800 0.011 0.000 1.002 381 D HN 0.309 nan 8.370 nan 0.000 0.501 382 L N 0.954 122.139 121.223 -0.064 0.000 2.323 382 L HA 0.442 4.782 4.340 -0.000 0.000 0.265 382 L C -0.143 176.673 176.870 -0.090 0.000 1.012 382 L CA -1.185 53.575 54.840 -0.135 0.000 0.820 382 L CB 1.974 43.833 42.059 -0.334 0.000 1.334 382 L HN 0.069 nan 8.230 nan 0.000 0.427 383 D N 1.557 121.907 120.400 -0.082 0.000 2.558 383 D HA 0.197 4.837 4.640 -0.000 0.000 0.221 383 D C -0.623 175.623 176.300 -0.090 0.000 1.143 383 D CA -0.204 53.772 54.000 -0.039 0.000 1.010 383 D CB 0.284 41.083 40.800 -0.002 0.000 1.068 383 D HN 0.038 nan 8.370 nan 0.000 0.511 384 V N 3.403 123.214 119.914 -0.171 0.000 2.470 384 V HA 0.071 4.191 4.120 -0.000 0.000 0.276 384 V C 0.764 176.750 176.094 -0.180 0.000 1.040 384 V CA -0.757 61.357 62.300 -0.310 0.000 1.008 384 V CB 1.313 32.651 31.823 -0.809 0.000 0.990 384 V HN 0.182 nan 8.190 nan 0.000 0.477 385 V N 5.459 125.322 119.914 -0.084 0.000 2.529 385 V HA 0.542 4.662 4.120 -0.000 0.000 0.292 385 V C 0.608 176.691 176.094 -0.017 0.000 1.028 385 V CA 0.672 62.952 62.300 -0.034 0.000 1.074 385 V CB 0.495 32.284 31.823 -0.057 0.000 0.958 385 V HN 1.107 nan 8.190 nan 0.000 0.481 386 A N 3.656 126.498 122.820 0.037 0.000 2.602 386 A HA 0.877 5.197 4.320 -0.000 0.000 0.290 386 A C 0.737 178.370 177.584 0.080 0.000 1.114 386 A CA 0.170 52.265 52.037 0.097 0.000 0.683 386 A CB 1.359 20.515 19.000 0.260 0.000 1.281 386 A HN 1.793 nan 8.150 nan 0.000 0.416 387 G N 0.006 108.854 108.800 0.080 0.000 5.045 387 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.229 387 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.229 387 G C -0.045 174.869 174.900 0.023 0.000 1.440 387 G CA 1.027 46.159 45.100 0.054 0.000 0.936 387 G HN 1.389 nan 8.290 nan 0.000 0.690 388 E N 1.910 122.116 120.200 0.009 0.000 2.369 388 E HA 0.646 4.996 4.350 -0.000 0.000 0.270 388 E C -2.695 173.872 176.600 -0.055 0.000 0.909 388 E CA -1.809 54.584 56.400 -0.011 0.000 0.775 388 E CB 1.502 31.212 29.700 0.017 0.000 1.270 388 E HN 0.408 nan 8.360 nan 0.000 0.445 389 P HA 0.032 nan 4.420 nan 0.000 0.268 389 P C -0.671 176.530 177.300 -0.164 0.000 1.208 389 P CA -0.160 62.799 63.100 -0.235 0.000 0.777 389 P CB 0.610 32.085 31.700 -0.375 0.000 0.875 390 R N 2.486 122.861 120.500 -0.209 0.000 2.239 390 R HA 0.268 4.608 4.340 -0.000 0.000 0.332 390 R C -0.603 175.639 176.300 -0.097 0.000 0.988 390 R CA -0.677 55.388 56.100 -0.058 0.000 0.859 390 R CB 0.047 30.364 30.300 0.029 0.000 1.148 390 R HN 0.405 nan 8.270 nan 0.000 0.482 391 Y N 2.160 122.476 120.300 0.027 0.000 2.496 391 Y HA 0.374 4.924 4.550 -0.000 0.000 0.334 391 Y C 1.135 176.974 175.900 -0.102 0.000 1.080 391 Y CA 0.667 58.762 58.100 -0.007 0.000 1.355 391 Y CB 1.532 39.971 38.460 -0.035 0.000 1.193 391 Y HN 0.694 nan 8.280 nan 0.000 0.523 392 G N 1.766 110.405 108.800 -0.268 0.000 2.698 392 G HA2 0.237 4.197 3.960 -0.000 0.000 0.293 392 G HA3 0.237 4.197 3.960 -0.000 0.000 0.293 392 G C -1.771 172.534 174.900 -0.991 0.000 1.437 392 G CA -0.957 43.718 45.100 -0.708 0.000 0.852 392 G HN 0.404 nan 8.290 nan 0.000 0.499 393 D N 0.430 120.447 120.400 -0.638 0.000 2.608 393 D HA 0.236 4.876 4.640 -0.000 0.000 0.224 393 D C -0.512 175.557 176.300 -0.385 0.000 1.123 393 D CA -0.249 53.509 54.000 -0.405 0.000 1.030 393 D CB -0.475 40.205 40.800 -0.200 0.000 1.093 393 D HN 0.208 nan 8.370 nan 0.000 0.497 394 Y N 1.427 121.714 120.300 -0.023 0.000 2.539 394 Y HA 0.280 4.830 4.550 -0.000 0.000 0.352 394 Y C 1.673 177.535 175.900 -0.062 0.000 1.004 394 Y CA -0.597 57.495 58.100 -0.014 0.000 1.278 394 Y CB 0.557 39.012 38.460 -0.009 0.000 1.136 394 Y HN 0.104 nan 8.280 nan 0.000 0.528 395 R N 1.700 122.190 120.500 -0.016 0.000 2.066 395 R HA 0.075 4.415 4.340 -0.000 0.000 0.224 395 R C -0.661 175.347 176.300 -0.486 0.000 1.122 395 R CA 0.903 56.797 56.100 -0.342 0.000 0.974 395 R CB 0.167 30.165 30.300 -0.503 0.000 0.871 395 R HN 0.485 nan 8.270 nan 0.000 0.435 396 Y N -1.076 119.312 120.300 0.147 0.000 2.524 396 Y HA 0.660 5.210 4.550 -0.000 0.000 0.347 396 Y C -0.548 175.445 175.900 0.156 0.000 1.005 396 Y CA -1.382 56.799 58.100 0.135 0.000 1.025 396 Y CB 2.167 40.679 38.460 0.087 0.000 1.275 396 Y HN -0.024 nan 8.280 nan 0.000 0.460 397 A N 1.131 124.141 122.820 0.317 0.000 2.539 397 A HA 0.866 5.185 4.320 -0.000 0.000 0.296 397 A C -1.964 175.706 177.584 0.144 0.000 1.073 397 A CA -0.788 51.378 52.037 0.215 0.000 0.700 397 A CB 1.457 20.614 19.000 0.263 0.000 1.296 397 A HN 0.477 nan 8.150 nan 0.000 0.405 398 V N 1.996 121.926 119.914 0.026 0.000 2.448 398 V HA 0.364 4.484 4.120 -0.000 0.000 0.295 398 V C -0.291 175.779 176.094 -0.039 0.000 1.025 398 V CA -0.697 61.601 62.300 -0.003 0.000 0.859 398 V CB 1.632 33.433 31.823 -0.037 0.000 0.988 398 V HN 0.893 nan 8.190 nan 0.000 0.431 399 N N 4.566 123.284 118.700 0.031 0.000 2.426 399 N HA 0.276 5.016 4.740 -0.000 0.000 0.257 399 N C -0.480 174.972 175.510 -0.096 0.000 1.002 399 N CA -0.218 52.825 53.050 -0.012 0.000 0.942 399 N CB 0.613 39.157 38.487 0.095 0.000 1.112 399 N HN 0.607 nan 8.380 nan 0.000 0.499 400 N N 1.501 120.108 118.700 -0.155 0.000 2.479 400 N HA 0.387 5.127 4.740 -0.000 0.000 0.285 400 N C -1.125 174.085 175.510 -0.501 0.000 1.075 400 N CA -0.187 52.652 53.050 -0.352 0.000 0.967 400 N CB 1.373 39.683 38.487 -0.295 0.000 1.137 400 N HN 0.415 nan 8.380 nan 0.000 0.472 401 S N 0.993 116.207 115.700 -0.810 0.000 2.549 401 S HA 0.715 5.185 4.470 -0.000 0.000 0.280 401 S C -1.257 172.599 174.600 -1.240 0.000 1.109 401 S CA -0.609 57.082 58.200 -0.848 0.000 0.905 401 S CB 1.008 63.995 63.200 -0.355 0.000 1.081 401 S HN 0.326 nan 8.310 nan 0.000 0.477 402 F N 0.269 119.691 119.950 -0.880 0.000 2.599 402 F HA 0.838 5.365 4.527 -0.000 0.000 0.311 402 F C 0.559 176.200 175.800 -0.266 0.000 1.076 402 F CA -0.724 57.020 58.000 -0.427 0.000 0.937 402 F CB 2.183 41.016 39.000 -0.278 0.000 1.282 402 F HN 0.765 nan 8.300 nan 0.000 0.460 403 G N 0.668 109.601 108.800 0.222 0.000 2.706 403 G HA2 0.557 4.517 3.960 -0.000 0.000 0.297 403 G HA3 0.557 4.517 3.960 -0.000 0.000 0.297 403 G C -1.612 173.547 174.900 0.431 0.000 1.403 403 G CA -0.726 44.527 45.100 0.255 0.000 0.954 403 G HN 0.245 nan 8.290 nan 0.000 0.500 404 F N 0.894 120.981 119.950 0.228 0.000 2.623 404 F HA 0.330 4.857 4.527 -0.000 0.000 0.386 404 F C 1.670 177.570 175.800 0.166 0.000 1.068 404 F CA 1.402 59.505 58.000 0.172 0.000 1.265 404 F CB 0.775 39.866 39.000 0.152 0.000 1.026 404 F HN 1.120 nan 8.300 nan 0.000 0.568 405 G N 0.956 109.859 108.800 0.171 0.000 2.284 405 G HA2 0.105 4.065 3.960 -0.000 0.000 0.201 405 G HA3 0.105 4.065 3.960 -0.000 0.000 0.201 405 G C 0.795 175.480 174.900 -0.359 0.000 0.998 405 G CA 0.102 45.142 45.100 -0.099 0.000 0.651 405 G HN 1.832 nan 8.290 nan 0.000 0.489 406 G N 0.076 108.760 108.800 -0.193 0.000 2.165 406 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.226 406 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.226 406 G C -0.026 174.779 174.900 -0.157 0.000 1.035 406 G CA 0.502 45.530 45.100 -0.119 0.000 0.744 406 G HN 1.308 nan 8.290 nan 0.000 0.501 407 H N 0.647 119.806 119.070 0.149 0.000 2.580 407 H HA 0.384 4.940 4.556 -0.000 0.000 0.322 407 H C -0.032 175.409 175.328 0.188 0.000 1.082 407 H CA -0.177 55.950 56.048 0.132 0.000 1.383 407 H CB 0.808 30.631 29.762 0.100 0.000 1.450 407 H HN 0.250 nan 8.280 nan 0.000 0.505 408 N N 2.707 121.576 118.700 0.280 0.000 2.442 408 N HA 0.234 4.974 4.740 -0.000 0.000 0.274 408 N C -0.866 174.713 175.510 0.114 0.000 1.002 408 N CA -0.441 52.794 53.050 0.309 0.000 0.910 408 N CB 2.787 41.455 38.487 0.301 0.000 1.244 408 N HN 0.215 nan 8.380 nan 0.000 0.492 409 V N 0.781 120.671 119.914 -0.041 0.000 2.531 409 V HA 0.801 4.921 4.120 -0.000 0.000 0.301 409 V C -0.298 175.684 176.094 -0.187 0.000 1.034 409 V CA -0.889 61.345 62.300 -0.110 0.000 0.865 409 V CB 1.556 33.304 31.823 -0.125 0.000 0.995 409 V HN 0.758 nan 8.190 nan 0.000 0.424 410 A N 5.773 128.505 122.820 -0.146 0.000 2.343 410 A HA 0.916 5.236 4.320 -0.000 0.000 0.316 410 A C -1.061 176.402 177.584 -0.202 0.000 1.104 410 A CA -0.527 51.416 52.037 -0.156 0.000 0.768 410 A CB 1.096 20.037 19.000 -0.098 0.000 1.213 410 A HN 0.798 nan 8.150 nan 0.000 0.456 411 L N 2.119 123.221 121.223 -0.201 0.000 2.313 411 L HA 0.663 5.003 4.340 -0.000 0.000 0.283 411 L C 0.458 177.127 176.870 -0.335 0.000 1.013 411 L CA -0.594 54.041 54.840 -0.341 0.000 0.816 411 L CB 1.951 43.834 42.059 -0.294 0.000 1.236 411 L HN 0.791 nan 8.230 nan 0.000 0.419 412 A N 3.992 126.527 122.820 -0.474 0.000 2.252 412 A HA 0.717 5.037 4.320 -0.000 0.000 0.309 412 A C -0.969 176.372 177.584 -0.405 0.000 1.285 412 A CA -0.183 51.664 52.037 -0.316 0.000 0.900 412 A CB -0.009 18.830 19.000 -0.268 0.000 1.157 412 A HN 0.496 nan 8.150 nan 0.000 0.536 413 F N 1.288 121.226 119.950 -0.021 0.000 2.507 413 F HA 0.682 5.209 4.527 -0.000 0.000 0.327 413 F C 0.908 176.796 175.800 0.146 0.000 1.068 413 F CA -0.163 57.856 58.000 0.031 0.000 0.965 413 F CB 2.573 41.584 39.000 0.018 0.000 1.192 413 F HN 0.657 nan 8.300 nan 0.000 0.476 414 G N 1.388 110.407 108.800 0.366 0.000 2.524 414 G HA2 0.454 4.414 3.960 -0.000 0.000 0.310 414 G HA3 0.454 4.414 3.960 -0.000 0.000 0.310 414 G C -1.451 173.554 174.900 0.175 0.000 1.279 414 G CA -1.015 44.266 45.100 0.301 0.000 0.974 414 G HN 0.629 nan 8.290 nan 0.000 0.484 415 R N 0.665 121.185 120.500 0.032 0.000 2.640 415 R HA 0.108 4.448 4.340 -0.000 0.000 0.270 415 R C -0.685 175.665 176.300 0.083 0.000 1.024 415 R CA -0.209 55.911 56.100 0.034 0.000 1.085 415 R CB 0.310 30.578 30.300 -0.053 0.000 0.963 415 R HN 0.598 nan 8.270 nan 0.000 0.426 416 Y N 0.000 120.306 120.300 0.011 0.000 2.660 416 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 416 Y CA 0.000 58.112 58.100 0.020 0.000 1.940 416 Y CB 0.000 38.475 38.460 0.026 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758