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 2ag1_1_A DATA FIRST_RESID 4 DATA SEQUENCE ITGGELVVRT LIKAGVEHLF GLHGAHIDTI FQACLDHDVP IIDTRHEAAA DATA SEQUENCE GHAAEGYARA GAKLGVALVT AGGGFTNAVT PIANAWLDRT PVLFLTGSGA DATA SEQUENCE LRDDETNTLQ AGIDQVAXAA PITKWAHRVX ATEHIPRLVX QAIRAALSAP DATA SEQUENCE RGPVLLDLPW DILXNQIDED SVIIPDLVLS AHGARPDPAD LDQALALLRK DATA SEQUENCE AERPVIVLGS EASRTARKTA LSAFVAATGV PVFADYEGLS XLSGLPDAXR DATA SEQUENCE GGLVQNLYSF AKADAAPDLV LXLGARFGLN TGHGSGQLIP HSAQVIQVDP DATA SEQUENCE DACELGRLQG IALGIVADVG GTIEALAQAT AQDAAWPDRG DWCAKVTDLA DATA SEQUENCE QERYASIAAK SSSEHALHPF HASQVIAKHV DAGVTVVADG ALTYLWLSEV DATA SEQUENCE XSRVKPGGFL CHGYLGSXGV GFGTALGAQV ADLEAGRRTI LVTGDGSVGY DATA SEQUENCE SIGEFDTLVR KQLPLIVIIX NNQSWGATLH FQQLAVGPNR VTGTRLENGS DATA SEQUENCE YHGVAAAFGA DGYHVDSVES FSAALAQALA HNRPACINVA VALDPIPPEE DATA SEQUENCE LI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.134 176.117 0.029 0.000 1.063 4 I CA 0.000 61.318 61.300 0.030 0.000 1.566 4 I CB 0.000 38.024 38.000 0.040 0.000 1.214 5 T N -0.042 114.536 114.554 0.039 0.000 2.874 5 T HA 0.516 4.865 4.350 -0.001 0.000 0.281 5 T C 1.133 175.860 174.700 0.046 0.000 0.994 5 T CA 0.019 62.143 62.100 0.041 0.000 1.015 5 T CB 1.407 70.308 68.868 0.055 0.000 1.028 5 T HN 1.074 nan 8.240 nan 0.000 0.523 6 G N 0.247 109.074 108.800 0.046 0.000 2.432 6 G HA2 0.024 3.984 3.960 -0.001 0.000 0.219 6 G HA3 0.024 3.984 3.960 -0.001 0.000 0.219 6 G C 1.548 176.483 174.900 0.059 0.000 1.135 6 G CA 0.557 45.686 45.100 0.048 0.000 0.767 6 G HN 1.035 nan 8.290 nan 0.000 0.550 7 G N 0.463 109.307 108.800 0.073 0.000 2.440 7 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.218 7 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.218 7 G C 1.634 176.573 174.900 0.064 0.000 1.154 7 G CA 1.110 46.257 45.100 0.078 0.000 0.767 7 G HN 0.349 nan 8.290 nan 0.000 0.552 8 E N 0.012 120.254 120.200 0.069 0.000 2.058 8 E HA -0.095 4.255 4.350 -0.001 0.000 0.194 8 E C 2.681 179.304 176.600 0.038 0.000 0.997 8 E CA 0.571 57.014 56.400 0.072 0.000 0.801 8 E CB -0.371 29.379 29.700 0.083 0.000 0.746 8 E HN 0.236 nan 8.360 nan 0.000 0.450 9 L N 0.521 121.766 121.223 0.037 0.000 2.013 9 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 9 L C 2.582 179.461 176.870 0.015 0.000 1.073 9 L CA 1.161 56.017 54.840 0.026 0.000 0.753 9 L CB -1.343 40.738 42.059 0.036 0.000 0.890 9 L HN -0.009 nan 8.230 nan 0.000 0.432 10 V N -1.180 118.747 119.914 0.023 0.000 2.255 10 V HA -0.304 3.816 4.120 -0.001 0.000 0.247 10 V C 2.514 178.597 176.094 -0.019 0.000 1.051 10 V CA 1.710 64.019 62.300 0.014 0.000 1.018 10 V CB -0.535 31.302 31.823 0.023 0.000 0.641 10 V HN 0.252 nan 8.190 nan 0.000 0.445 11 V N -0.374 119.520 119.914 -0.034 0.000 2.358 11 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 11 V C 2.560 178.561 176.094 -0.155 0.000 1.047 11 V CA 1.940 64.189 62.300 -0.085 0.000 1.035 11 V CB -0.807 30.980 31.823 -0.061 0.000 0.658 11 V HN 0.455 nan 8.190 nan 0.000 0.452 12 R N -0.178 120.231 120.500 -0.152 0.000 2.096 12 R HA -0.140 4.200 4.340 -0.001 0.000 0.235 12 R C 2.358 178.597 176.300 -0.102 0.000 1.127 12 R CA 1.942 57.938 56.100 -0.174 0.000 0.968 12 R CB -0.599 29.640 30.300 -0.102 0.000 0.861 12 R HN 0.529 nan 8.270 nan 0.000 0.440 13 T N 1.373 115.893 114.554 -0.056 0.000 2.812 13 T HA -0.012 4.337 4.350 -0.001 0.000 0.264 13 T C 1.888 176.568 174.700 -0.033 0.000 1.042 13 T CA 0.771 62.855 62.100 -0.028 0.000 1.140 13 T CB -0.078 68.791 68.868 0.003 0.000 0.870 13 T HN 0.117 nan 8.240 nan 0.000 0.445 14 L N 0.795 121.991 121.223 -0.045 0.000 2.042 14 L HA -0.088 4.252 4.340 -0.001 0.000 0.210 14 L C 2.526 179.358 176.870 -0.063 0.000 1.076 14 L CA 0.971 55.783 54.840 -0.048 0.000 0.749 14 L CB -0.720 41.302 42.059 -0.062 0.000 0.893 14 L HN 0.246 nan 8.230 nan 0.000 0.432 15 I N 0.121 120.631 120.570 -0.099 0.000 2.163 15 I HA -0.304 3.865 4.170 -0.001 0.000 0.243 15 I C 2.486 178.566 176.117 -0.063 0.000 1.085 15 I CA 1.697 62.934 61.300 -0.104 0.000 1.347 15 I CB -0.873 37.025 38.000 -0.170 0.000 1.044 15 I HN 0.327 nan 8.210 nan 0.000 0.408 16 K N 0.619 120.986 120.400 -0.054 0.000 2.211 16 K HA -0.045 4.274 4.320 -0.001 0.000 0.203 16 K C 1.995 178.584 176.600 -0.018 0.000 1.050 16 K CA 1.119 57.387 56.287 -0.031 0.000 0.945 16 K CB 0.002 32.487 32.500 -0.025 0.000 0.732 16 K HN 0.287 nan 8.250 nan 0.000 0.451 17 A N 0.083 122.893 122.820 -0.015 0.000 2.167 17 A HA 0.103 4.422 4.320 -0.001 0.000 0.214 17 A C 1.359 178.945 177.584 0.003 0.000 1.151 17 A CA 1.112 53.148 52.037 -0.002 0.000 0.735 17 A CB -0.177 18.827 19.000 0.006 0.000 0.802 17 A HN 0.414 nan 8.150 nan 0.000 0.467 18 G N -1.158 107.638 108.800 -0.006 0.000 2.141 18 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.231 18 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.231 18 G C 0.449 175.359 174.900 0.017 0.000 0.984 18 G CA 0.487 45.589 45.100 0.003 0.000 0.660 18 G HN 1.795 nan 8.290 nan 0.000 0.525 19 V N -1.422 118.495 119.914 0.005 0.000 2.715 19 V HA 0.731 4.851 4.120 -0.001 0.000 0.299 19 V C 0.790 176.861 176.094 -0.038 0.000 1.054 19 V CA 0.986 63.296 62.300 0.017 0.000 1.077 19 V CB 1.515 33.337 31.823 -0.003 0.000 0.972 19 V HN 0.339 nan 8.190 nan 0.000 0.484 20 E N 2.616 122.800 120.200 -0.028 0.000 2.572 20 E HA 0.282 4.632 4.350 -0.001 0.000 0.220 20 E C -0.869 175.364 176.600 -0.613 0.000 0.945 20 E CA -0.073 56.192 56.400 -0.226 0.000 1.070 20 E CB 0.575 30.193 29.700 -0.137 0.000 1.090 20 E HN 0.989 nan 8.360 nan 0.000 0.506 21 H N -0.852 118.073 119.070 -0.242 0.000 3.038 21 H HA 0.402 4.958 4.556 -0.001 0.000 0.362 21 H C -1.379 173.589 175.328 -0.600 0.000 1.167 21 H CA -0.662 55.090 56.048 -0.494 0.000 1.197 21 H CB 1.398 30.730 29.762 -0.716 0.000 1.840 21 H HN -0.147 nan 8.280 nan 0.000 0.540 22 L N 1.890 122.789 121.223 -0.541 0.000 2.323 22 L HA 0.569 4.908 4.340 -0.001 0.000 0.265 22 L C -1.137 175.297 176.870 -0.728 0.000 1.012 22 L CA -0.437 54.120 54.840 -0.473 0.000 0.820 22 L CB 1.115 42.985 42.059 -0.314 0.000 1.334 22 L HN 0.510 nan 8.230 nan 0.000 0.427 23 F N 0.173 120.024 119.950 -0.164 0.000 2.507 23 F HA 0.783 5.310 4.527 -0.001 0.000 0.328 23 F C 0.566 176.332 175.800 -0.056 0.000 1.136 23 F CA -0.509 57.429 58.000 -0.104 0.000 0.930 23 F CB 2.022 40.959 39.000 -0.105 0.000 1.166 23 F HN 0.466 nan 8.300 nan 0.000 0.436 24 G N 2.450 111.332 108.800 0.137 0.000 2.663 24 G HA2 0.653 4.613 3.960 -0.001 0.000 0.299 24 G HA3 0.653 4.613 3.960 -0.001 0.000 0.299 24 G C -2.667 172.362 174.900 0.216 0.000 1.372 24 G CA -0.708 44.486 45.100 0.156 0.000 0.781 24 G HN 0.420 nan 8.290 nan 0.000 0.491 25 L N 0.600 121.965 121.223 0.237 0.000 2.436 25 L HA 0.586 4.925 4.340 -0.001 0.000 0.268 25 L C -0.493 176.507 176.870 0.216 0.000 0.974 25 L CA -0.890 54.071 54.840 0.201 0.000 0.826 25 L CB 1.354 43.472 42.059 0.097 0.000 1.291 25 L HN 0.858 nan 8.230 nan 0.000 0.406 26 H N 2.809 121.883 119.070 0.007 0.000 2.771 26 H HA 0.603 5.158 4.556 -0.001 0.000 0.364 26 H C -0.117 175.089 175.328 -0.203 0.000 1.133 26 H CA 1.092 56.937 56.048 -0.339 0.000 1.423 26 H CB 1.163 30.497 29.762 -0.713 0.000 1.425 26 H HN 0.821 nan 8.280 nan 0.000 0.606 27 G N 1.191 109.388 108.800 -1.005 0.000 2.720 27 G HA2 0.457 4.416 3.960 -0.001 0.000 0.295 27 G HA3 0.457 4.416 3.960 -0.001 0.000 0.295 27 G C 0.248 174.687 174.900 -0.769 0.000 1.437 27 G CA -0.271 44.459 45.100 -0.617 0.000 0.886 27 G HN 0.870 nan 8.290 nan 0.000 0.509 28 A N 0.299 122.897 122.820 -0.370 0.000 1.917 28 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 28 A C 1.815 179.109 177.584 -0.483 0.000 1.182 28 A CA 2.174 54.039 52.037 -0.287 0.000 0.633 28 A CB -1.007 17.858 19.000 -0.226 0.000 0.819 28 A HN 0.814 nan 8.150 nan 0.000 0.448 29 H N -0.537 118.029 119.070 -0.839 0.000 2.457 29 H HA -0.087 4.469 4.556 -0.001 0.000 0.297 29 H C 1.452 176.551 175.328 -0.382 0.000 1.092 29 H CA 1.554 56.962 56.048 -1.066 0.000 1.309 29 H CB -0.142 29.144 29.762 -0.794 0.000 1.382 29 H HN 0.757 nan 8.280 nan 0.000 0.535 30 I N -1.983 118.511 120.570 -0.126 0.000 3.833 30 I HA 0.185 4.354 4.170 -0.001 0.000 0.328 30 I C 0.826 177.026 176.117 0.138 0.000 1.554 30 I CA -0.090 61.233 61.300 0.038 0.000 1.116 30 I CB 0.551 38.595 38.000 0.074 0.000 1.182 30 I HN -0.201 nan 8.210 nan 0.000 0.459 31 D N 1.820 122.260 120.400 0.066 0.000 2.269 31 D HA -0.177 4.462 4.640 -0.001 0.000 0.208 31 D C 2.226 178.688 176.300 0.271 0.000 0.963 31 D CA 1.994 56.117 54.000 0.206 0.000 0.864 31 D CB 0.349 41.264 40.800 0.193 0.000 0.936 31 D HN 0.530 nan 8.370 nan 0.000 0.505 32 T N -1.712 112.970 114.554 0.213 0.000 2.867 32 T HA -0.099 4.251 4.350 -0.001 0.000 0.268 32 T C 2.130 176.930 174.700 0.165 0.000 1.057 32 T CA 0.709 62.915 62.100 0.176 0.000 1.136 32 T CB -0.450 68.507 68.868 0.148 0.000 0.874 32 T HN 0.201 nan 8.240 nan 0.000 0.466 33 I N -0.284 120.390 120.570 0.174 0.000 2.286 33 I HA -0.001 4.168 4.170 -0.001 0.000 0.245 33 I C 2.229 178.389 176.117 0.071 0.000 1.104 33 I CA 1.166 62.524 61.300 0.096 0.000 1.397 33 I CB -0.479 37.547 38.000 0.043 0.000 1.072 33 I HN 0.093 nan 8.210 nan 0.000 0.417 34 F N 1.279 121.273 119.950 0.073 0.000 2.069 34 F HA -0.266 4.261 4.527 -0.001 0.000 0.298 34 F C 2.815 178.656 175.800 0.068 0.000 1.113 34 F CA 1.496 59.548 58.000 0.086 0.000 1.214 34 F CB -0.666 38.434 39.000 0.166 0.000 0.978 34 F HN 0.072 nan 8.300 nan 0.000 0.474 35 Q N 0.207 120.169 119.800 0.269 0.000 2.061 35 Q HA -0.207 4.133 4.340 -0.001 0.000 0.204 35 Q C 2.562 178.629 176.000 0.111 0.000 0.984 35 Q CA 1.683 57.581 55.803 0.158 0.000 0.846 35 Q CB -1.305 27.512 28.738 0.132 0.000 0.902 35 Q HN 0.451 nan 8.270 nan 0.000 0.421 36 A N 0.456 123.347 122.820 0.118 0.000 1.883 36 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 36 A C 2.600 180.274 177.584 0.150 0.000 1.186 36 A CA 1.700 53.822 52.037 0.142 0.000 0.624 36 A CB -1.089 17.990 19.000 0.133 0.000 0.822 36 A HN 0.491 nan 8.150 nan 0.000 0.444 37 C N -0.880 118.455 119.300 0.059 0.000 2.425 37 C HA -0.045 4.414 4.460 -0.001 0.000 0.277 37 C C 2.510 177.512 174.990 0.019 0.000 1.280 37 C CA 0.895 59.916 59.018 0.005 0.000 1.744 37 C CB -1.319 26.348 27.740 -0.121 0.000 1.989 37 C HN 0.662 nan 8.230 nan 0.000 0.491 38 L N 1.014 122.258 121.223 0.035 0.000 2.046 38 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 38 L C 2.059 178.928 176.870 -0.002 0.000 1.077 38 L CA 2.154 57.011 54.840 0.028 0.000 0.747 38 L CB -0.939 41.154 42.059 0.056 0.000 0.896 38 L HN 0.305 nan 8.230 nan 0.000 0.432 39 D N -1.022 119.366 120.400 -0.019 0.000 2.178 39 D HA -0.163 4.476 4.640 -0.001 0.000 0.202 39 D C 1.615 177.785 176.300 -0.218 0.000 0.974 39 D CA 1.254 55.178 54.000 -0.126 0.000 0.841 39 D CB -0.038 40.654 40.800 -0.181 0.000 0.953 39 D HN 0.501 nan 8.370 nan 0.000 0.478 40 H N -0.300 118.756 119.070 -0.023 0.000 2.586 40 H HA 0.106 4.661 4.556 -0.001 0.000 0.273 40 H C -0.211 175.089 175.328 -0.046 0.000 0.997 40 H CA 0.014 56.043 56.048 -0.032 0.000 1.177 40 H CB 0.525 30.265 29.762 -0.037 0.000 1.471 40 H HN -0.147 nan 8.280 nan 0.000 0.538 41 D N 0.148 120.565 120.400 0.028 0.000 2.870 41 D HA -0.150 4.490 4.640 -0.001 0.000 0.228 41 D C -0.758 175.515 176.300 -0.045 0.000 1.147 41 D CA 0.442 54.436 54.000 -0.010 0.000 0.757 41 D CB -1.331 39.462 40.800 -0.012 0.000 1.091 41 D HN 0.137 nan 8.370 nan 0.000 0.429 42 V N 1.939 121.822 119.914 -0.051 0.000 2.368 42 V HA 0.265 4.384 4.120 -0.001 0.000 0.266 42 V C -1.594 174.403 176.094 -0.161 0.000 1.045 42 V CA -1.121 61.099 62.300 -0.132 0.000 0.899 42 V CB 1.349 33.095 31.823 -0.129 0.000 1.006 42 V HN -0.030 nan 8.190 nan 0.000 0.470 43 P HA 0.261 nan 4.420 nan 0.000 0.271 43 P C -0.579 176.578 177.300 -0.237 0.000 1.220 43 P CA 0.078 63.081 63.100 -0.161 0.000 0.768 43 P CB 0.908 32.545 31.700 -0.105 0.000 0.848 44 I N 4.357 124.793 120.570 -0.224 0.000 2.330 44 I HA 0.232 4.402 4.170 -0.001 0.000 0.289 44 I C 0.632 176.639 176.117 -0.183 0.000 1.001 44 I CA -0.911 60.210 61.300 -0.298 0.000 1.193 44 I CB 1.060 38.803 38.000 -0.430 0.000 1.345 44 I HN 0.098 nan 8.210 nan 0.000 0.461 45 I N 6.556 126.961 120.570 -0.275 0.000 2.311 45 I HA 0.041 4.210 4.170 -0.001 0.000 0.297 45 I C 0.295 176.443 176.117 0.052 0.000 1.131 45 I CA -0.101 61.140 61.300 -0.098 0.000 1.289 45 I CB -0.421 37.514 38.000 -0.109 0.000 1.446 45 I HN 0.593 nan 8.210 nan 0.000 0.524 46 D N 5.095 125.550 120.400 0.092 0.000 2.277 46 D HA 0.232 4.872 4.640 -0.001 0.000 0.249 46 D C 0.396 176.760 176.300 0.107 0.000 1.134 46 D CA -0.322 53.764 54.000 0.144 0.000 0.863 46 D CB 1.771 42.690 40.800 0.198 0.000 1.143 46 D HN 0.459 nan 8.370 nan 0.000 0.458 47 T N 0.026 114.643 114.554 0.105 0.000 2.893 47 T HA 0.378 4.727 4.350 -0.001 0.000 0.281 47 T C 1.008 175.726 174.700 0.029 0.000 1.027 47 T CA -0.888 61.245 62.100 0.055 0.000 0.953 47 T CB 1.345 70.250 68.868 0.061 0.000 1.434 47 T HN 0.237 nan 8.240 nan 0.000 0.597 48 R N -0.100 120.399 120.500 -0.003 0.000 2.397 48 R HA 0.290 4.630 4.340 -0.001 0.000 0.241 48 R C -0.048 176.284 176.300 0.053 0.000 0.914 48 R CA -0.023 56.074 56.100 -0.006 0.000 1.071 48 R CB -0.444 29.814 30.300 -0.069 0.000 1.116 48 R HN 0.738 nan 8.270 nan 0.000 0.524 49 H N -0.331 118.720 119.070 -0.032 0.000 3.123 49 H HA 0.149 4.705 4.556 -0.001 0.000 0.346 49 H C -0.060 175.262 175.328 -0.009 0.000 1.138 49 H CA -0.277 55.761 56.048 -0.018 0.000 1.273 49 H CB 1.687 31.438 29.762 -0.019 0.000 1.926 49 H HN -0.235 nan 8.280 nan 0.000 0.524 50 E N 2.910 123.255 120.200 0.242 0.000 2.110 50 E HA -0.073 4.276 4.350 -0.001 0.000 0.193 50 E C 1.984 178.677 176.600 0.155 0.000 0.988 50 E CA 1.658 58.160 56.400 0.169 0.000 0.804 50 E CB 0.096 29.842 29.700 0.075 0.000 0.745 50 E HN 0.631 nan 8.360 nan 0.000 0.458 51 A N 1.193 124.166 122.820 0.255 0.000 1.873 51 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 51 A C 2.419 179.909 177.584 -0.156 0.000 1.193 51 A CA 2.234 54.193 52.037 -0.129 0.000 0.629 51 A CB -1.107 17.701 19.000 -0.319 0.000 0.826 51 A HN 0.315 nan 8.150 nan 0.000 0.447 52 A N -0.324 122.476 122.820 -0.033 0.000 1.908 52 A HA 0.090 4.409 4.320 -0.001 0.000 0.218 52 A C 2.526 180.117 177.584 0.012 0.000 1.181 52 A CA 2.424 54.470 52.037 0.016 0.000 0.627 52 A CB -1.088 17.891 19.000 -0.035 0.000 0.818 52 A HN 1.173 nan 8.150 nan 0.000 0.445 53 A N -0.551 122.293 122.820 0.040 0.000 1.877 53 A HA 0.105 4.425 4.320 -0.001 0.000 0.216 53 A C 2.453 180.044 177.584 0.012 0.000 1.186 53 A CA 2.028 54.110 52.037 0.075 0.000 0.620 53 A CB -1.451 17.626 19.000 0.129 0.000 0.822 53 A HN 0.763 nan 8.150 nan 0.000 0.443 54 G N -1.374 107.427 108.800 0.002 0.000 2.418 54 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.217 54 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.217 54 G C 1.481 176.347 174.900 -0.056 0.000 1.158 54 G CA 1.119 46.246 45.100 0.044 0.000 0.771 54 G HN 0.656 nan 8.290 nan 0.000 0.545 55 H N 0.732 119.802 119.070 0.000 0.000 2.423 55 H HA 0.120 4.676 4.556 -0.001 0.000 0.297 55 H C 2.869 178.097 175.328 -0.167 0.000 1.075 55 H CA 0.928 56.941 56.048 -0.057 0.000 1.342 55 H CB -0.454 29.273 29.762 -0.058 0.000 1.395 55 H HN 0.389 nan 8.280 nan 0.000 0.530 56 A N 1.341 124.066 122.820 -0.159 0.000 1.877 56 A HA -0.102 4.217 4.320 -0.001 0.000 0.216 56 A C 2.734 179.847 177.584 -0.785 0.000 1.186 56 A CA 1.773 53.502 52.037 -0.514 0.000 0.620 56 A CB -0.883 17.711 19.000 -0.677 0.000 0.822 56 A HN 0.418 nan 8.150 nan 0.000 0.443 57 A N -0.080 122.372 122.820 -0.613 0.000 1.892 57 A HA -0.251 4.069 4.320 -0.001 0.000 0.218 57 A C 1.916 179.401 177.584 -0.165 0.000 1.188 57 A CA 1.892 53.715 52.037 -0.357 0.000 0.631 57 A CB -0.689 18.167 19.000 -0.239 0.000 0.822 57 A HN 0.662 nan 8.150 nan 0.000 0.447 58 E N -0.917 119.215 120.200 -0.113 0.000 2.038 58 E HA -0.161 4.188 4.350 -0.001 0.000 0.195 58 E C 2.214 178.785 176.600 -0.048 0.000 1.000 58 E CA 0.953 57.337 56.400 -0.027 0.000 0.803 58 E CB -0.481 29.249 29.700 0.051 0.000 0.750 58 E HN 0.616 nan 8.360 nan 0.000 0.448 59 G N 0.440 109.183 108.800 -0.095 0.000 2.446 59 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.217 59 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.217 59 G C 1.415 176.276 174.900 -0.066 0.000 1.168 59 G CA 1.001 46.040 45.100 -0.101 0.000 0.771 59 G HN 0.288 nan 8.290 nan 0.000 0.551 60 Y N 1.933 122.095 120.300 -0.230 0.000 2.128 60 Y HA -0.095 4.454 4.550 -0.001 0.000 0.284 60 Y C 2.974 178.843 175.900 -0.051 0.000 1.154 60 Y CA 1.874 59.904 58.100 -0.118 0.000 1.149 60 Y CB -0.283 38.141 38.460 -0.061 0.000 0.976 60 Y HN 0.261 nan 8.280 nan 0.000 0.505 61 A N 0.410 123.290 122.820 0.100 0.000 1.877 61 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 61 A C 2.254 179.808 177.584 -0.050 0.000 1.186 61 A CA 1.860 53.912 52.037 0.025 0.000 0.620 61 A CB -0.630 18.404 19.000 0.056 0.000 0.822 61 A HN 0.536 nan 8.150 nan 0.000 0.443 62 R N -0.710 119.760 120.500 -0.051 0.000 2.092 62 R HA -0.013 4.326 4.340 -0.001 0.000 0.231 62 R C 2.271 178.524 176.300 -0.079 0.000 1.119 62 R CA 1.203 57.266 56.100 -0.063 0.000 0.970 62 R CB -0.306 29.950 30.300 -0.072 0.000 0.864 62 R HN 0.513 nan 8.270 nan 0.000 0.440 63 A N -0.164 122.595 122.820 -0.102 0.000 2.030 63 A HA 0.108 4.428 4.320 -0.001 0.000 0.215 63 A C 2.019 179.523 177.584 -0.134 0.000 1.164 63 A CA 1.042 53.016 52.037 -0.104 0.000 0.697 63 A CB -0.045 18.894 19.000 -0.100 0.000 0.827 63 A HN 0.409 nan 8.150 nan 0.000 0.457 64 G N -1.983 106.694 108.800 -0.206 0.000 2.986 64 G HA2 0.390 4.350 3.960 -0.001 0.000 0.213 64 G HA3 0.390 4.350 3.960 -0.001 0.000 0.213 64 G C 0.800 175.605 174.900 -0.158 0.000 1.156 64 G CA 0.573 45.530 45.100 -0.239 0.000 0.763 64 G HN 1.481 nan 8.290 nan 0.000 0.547 65 A N -0.431 122.321 122.820 -0.113 0.000 2.687 65 A HA -0.158 4.161 4.320 -0.001 0.000 0.299 65 A C 0.519 178.069 177.584 -0.056 0.000 1.497 65 A CA 1.452 53.449 52.037 -0.068 0.000 0.751 65 A CB -1.888 17.080 19.000 -0.054 0.000 1.048 65 A HN 0.434 nan 8.150 nan 0.000 0.464 66 K N -1.510 118.857 120.400 -0.054 0.000 2.378 66 K HA 0.716 5.036 4.320 -0.001 0.000 0.244 66 K C -0.254 176.382 176.600 0.059 0.000 1.039 66 K CA -1.130 55.155 56.287 -0.005 0.000 0.863 66 K CB 1.379 33.857 32.500 -0.036 0.000 1.326 66 K HN 0.451 nan 8.250 nan 0.000 0.460 67 L N 0.942 122.226 121.223 0.101 0.000 2.416 67 L HA 0.291 4.630 4.340 -0.001 0.000 0.272 67 L C -0.002 176.999 176.870 0.217 0.000 1.161 67 L CA 0.686 55.595 54.840 0.116 0.000 0.845 67 L CB 0.733 42.846 42.059 0.090 0.000 1.119 67 L HN 0.683 nan 8.230 nan 0.000 0.464 68 G N 4.169 113.064 108.800 0.158 0.000 2.389 68 G HA2 0.602 4.562 3.960 -0.001 0.000 0.328 68 G HA3 0.602 4.562 3.960 -0.001 0.000 0.328 68 G C -1.558 173.344 174.900 0.004 0.000 1.133 68 G CA -0.504 44.696 45.100 0.166 0.000 0.891 68 G HN 0.571 nan 8.290 nan 0.000 0.485 69 V N 0.843 120.756 119.914 -0.002 0.000 2.483 69 V HA 0.718 4.838 4.120 -0.001 0.000 0.297 69 V C 0.218 176.279 176.094 -0.055 0.000 1.027 69 V CA -0.779 61.479 62.300 -0.070 0.000 0.855 69 V CB 1.152 32.939 31.823 -0.060 0.000 0.995 69 V HN 1.129 nan 8.190 nan 0.000 0.424 70 A N 5.276 127.997 122.820 -0.164 0.000 2.340 70 A HA 0.939 5.258 4.320 -0.001 0.000 0.331 70 A C -1.019 176.570 177.584 0.008 0.000 1.140 70 A CA -0.631 51.358 52.037 -0.080 0.000 0.801 70 A CB 1.529 20.406 19.000 -0.206 0.000 1.234 70 A HN 0.832 nan 8.150 nan 0.000 0.469 71 L N 3.499 124.758 121.223 0.058 0.000 2.457 71 L HA 0.610 4.949 4.340 -0.001 0.000 0.266 71 L C -1.106 175.833 176.870 0.115 0.000 0.979 71 L CA -0.668 54.209 54.840 0.062 0.000 0.857 71 L CB 1.494 43.540 42.059 -0.021 0.000 1.213 71 L HN 0.762 nan 8.230 nan 0.000 0.418 72 V N 0.475 120.464 119.914 0.125 0.000 3.001 72 V HA 0.648 4.768 4.120 -0.001 0.000 0.314 72 V C -0.152 175.974 176.094 0.054 0.000 1.099 72 V CA -0.524 61.839 62.300 0.104 0.000 0.989 72 V CB 1.875 33.766 31.823 0.115 0.000 1.040 72 V HN 0.647 nan 8.190 nan 0.000 0.434 73 T N 1.448 115.995 114.554 -0.012 0.000 2.824 73 T HA 0.691 5.040 4.350 -0.001 0.000 0.277 73 T C 0.571 175.180 174.700 -0.152 0.000 0.975 73 T CA 0.370 62.403 62.100 -0.112 0.000 0.966 73 T CB 1.068 69.823 68.868 -0.188 0.000 1.054 73 T HN 1.734 nan 8.240 nan 0.000 0.533 74 A N 0.937 123.554 122.820 -0.339 0.000 2.492 74 A HA 0.522 4.841 4.320 -0.001 0.000 0.236 74 A C 1.489 178.924 177.584 -0.249 0.000 1.078 74 A CA 0.525 52.352 52.037 -0.350 0.000 0.773 74 A CB -1.260 17.353 19.000 -0.644 0.000 1.023 74 A HN 1.859 nan 8.150 nan 0.000 0.504 75 G N 0.961 109.683 108.800 -0.129 0.000 2.574 75 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.301 75 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.301 75 G C 1.551 176.454 174.900 0.006 0.000 1.166 75 G CA 1.232 46.296 45.100 -0.060 0.000 0.971 75 G HN 2.023 nan 8.290 nan 0.000 0.542 76 G N 0.705 109.478 108.800 -0.046 0.000 2.432 76 G HA2 0.209 4.169 3.960 -0.001 0.000 0.219 76 G HA3 0.209 4.169 3.960 -0.001 0.000 0.219 76 G C 1.910 176.777 174.900 -0.055 0.000 1.135 76 G CA 2.141 47.212 45.100 -0.049 0.000 0.767 76 G HN 1.779 nan 8.290 nan 0.000 0.550 77 G N 0.675 109.442 108.800 -0.055 0.000 2.459 77 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.217 77 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.217 77 G C 1.608 176.514 174.900 0.011 0.000 1.183 77 G CA 1.058 46.138 45.100 -0.033 0.000 0.776 77 G HN 0.396 nan 8.290 nan 0.000 0.552 78 F N 2.708 122.608 119.950 -0.085 0.000 2.102 78 F HA -0.128 4.398 4.527 -0.001 0.000 0.298 78 F C 3.027 178.777 175.800 -0.084 0.000 1.105 78 F CA 2.484 60.436 58.000 -0.080 0.000 1.239 78 F CB -0.780 38.161 39.000 -0.097 0.000 0.991 78 F HN 0.224 nan 8.300 nan 0.000 0.474 79 T N -1.521 112.876 114.554 -0.261 0.000 2.833 79 T HA -0.176 4.173 4.350 -0.001 0.000 0.269 79 T C 1.724 176.236 174.700 -0.313 0.000 1.054 79 T CA 1.478 63.353 62.100 -0.375 0.000 1.135 79 T CB -0.720 68.091 68.868 -0.094 0.000 0.869 79 T HN 0.261 nan 8.240 nan 0.000 0.466 80 N N 2.011 120.604 118.700 -0.179 0.000 2.396 80 N HA 0.169 4.908 4.740 -0.001 0.000 0.180 80 N C 1.881 177.329 175.510 -0.102 0.000 1.028 80 N CA 1.070 54.090 53.050 -0.050 0.000 0.893 80 N CB -0.485 38.010 38.487 0.012 0.000 0.967 80 N HN 0.674 nan 8.380 nan 0.000 0.440 81 A N 0.027 122.699 122.820 -0.247 0.000 2.208 81 A HA 0.083 4.402 4.320 -0.001 0.000 0.209 81 A C 2.201 179.511 177.584 -0.455 0.000 1.161 81 A CA 0.205 52.073 52.037 -0.282 0.000 0.782 81 A CB -0.177 18.701 19.000 -0.202 0.000 0.816 81 A HN 0.051 nan 8.150 nan 0.000 0.477 82 V N -0.235 119.379 119.914 -0.501 0.000 2.407 82 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 82 V C 2.741 178.657 176.094 -0.297 0.000 1.055 82 V CA 2.556 64.569 62.300 -0.478 0.000 1.049 82 V CB -0.976 30.586 31.823 -0.435 0.000 0.662 82 V HN 0.604 nan 8.190 nan 0.000 0.455 83 T N 0.086 114.519 114.554 -0.202 0.000 2.708 83 T HA -0.097 4.253 4.350 -0.001 0.000 0.266 83 T C -0.046 174.635 174.700 -0.031 0.000 1.037 83 T CA 1.836 63.889 62.100 -0.080 0.000 1.146 83 T CB -1.178 67.689 68.868 -0.003 0.000 0.865 83 T HN 0.430 nan 8.240 nan 0.000 0.435 84 P HA -0.037 nan 4.420 nan 0.000 0.216 84 P C 1.470 178.779 177.300 0.014 0.000 1.153 84 P CA 1.023 64.053 63.100 -0.116 0.000 0.858 84 P CB -0.224 31.324 31.700 -0.253 0.000 0.789 85 I N -0.863 119.500 120.570 -0.345 0.000 2.208 85 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 85 I C 2.314 178.413 176.117 -0.029 0.000 1.097 85 I CA 1.668 62.717 61.300 -0.419 0.000 1.363 85 I CB -0.860 36.720 38.000 -0.700 0.000 1.051 85 I HN -0.072 nan 8.210 nan 0.000 0.413 86 A N 0.492 123.297 122.820 -0.025 0.000 1.898 86 A HA -0.227 4.092 4.320 -0.001 0.000 0.216 86 A C 2.185 179.892 177.584 0.205 0.000 1.181 86 A CA 1.801 53.897 52.037 0.099 0.000 0.620 86 A CB -0.909 18.117 19.000 0.042 0.000 0.819 86 A HN 0.499 nan 8.150 nan 0.000 0.442 87 N N 0.182 118.976 118.700 0.157 0.000 2.084 87 N HA -0.164 4.575 4.740 -0.001 0.000 0.190 87 N C 1.985 177.590 175.510 0.159 0.000 1.030 87 N CA 1.358 54.499 53.050 0.153 0.000 0.849 87 N CB -0.183 38.407 38.487 0.171 0.000 1.012 87 N HN 0.389 nan 8.380 nan 0.000 0.423 88 A N 1.597 124.544 122.820 0.211 0.000 1.933 88 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 88 A C 2.007 179.730 177.584 0.233 0.000 1.175 88 A CA 1.102 53.269 52.037 0.216 0.000 0.628 88 A CB -1.300 17.890 19.000 0.318 0.000 0.814 88 A HN 0.744 nan 8.150 nan 0.000 0.444 89 W N 0.312 121.661 121.300 0.082 0.000 2.332 89 W HA -0.213 4.447 4.660 -0.001 0.000 0.321 89 W C 1.325 177.882 176.519 0.062 0.000 1.219 89 W CA 1.652 59.040 57.345 0.072 0.000 1.277 89 W CB -0.353 29.142 29.460 0.060 0.000 1.161 89 W HN 0.276 nan 8.180 nan 0.000 0.476 90 L N 1.271 122.498 121.223 0.006 0.000 2.201 90 L HA -0.160 4.180 4.340 -0.001 0.000 0.212 90 L C 1.607 178.357 176.870 -0.199 0.000 1.105 90 L CA 1.826 56.596 54.840 -0.116 0.000 0.775 90 L CB -1.589 40.530 42.059 0.100 0.000 0.913 90 L HN -0.084 nan 8.230 nan 0.000 0.440 91 D N -0.670 119.659 120.400 -0.118 0.000 2.350 91 D HA 0.043 4.682 4.640 -0.001 0.000 0.213 91 D C 0.621 176.843 176.300 -0.130 0.000 1.031 91 D CA 0.004 53.912 54.000 -0.153 0.000 0.861 91 D CB 0.112 40.866 40.800 -0.078 0.000 0.926 91 D HN 0.024 nan 8.370 nan 0.000 0.520 92 R N 0.017 120.449 120.500 -0.114 0.000 3.267 92 R HA -0.153 4.187 4.340 -0.001 0.000 0.254 92 R C -0.382 175.904 176.300 -0.023 0.000 0.993 92 R CA 0.939 56.990 56.100 -0.082 0.000 0.670 92 R CB -2.261 27.969 30.300 -0.117 0.000 1.125 92 R HN 0.189 nan 8.270 nan 0.000 0.434 93 T N -0.767 113.803 114.554 0.025 0.000 2.807 93 T HA 0.604 4.953 4.350 -0.001 0.000 0.279 93 T C -2.658 172.089 174.700 0.079 0.000 0.993 93 T CA -2.337 59.786 62.100 0.038 0.000 0.970 93 T CB 1.760 70.642 68.868 0.025 0.000 0.950 93 T HN -0.044 nan 8.240 nan 0.000 0.441 94 P HA 0.372 nan 4.420 nan 0.000 0.277 94 P C -0.986 176.345 177.300 0.052 0.000 1.354 94 P CA -0.327 62.816 63.100 0.073 0.000 0.891 94 P CB 0.546 32.279 31.700 0.055 0.000 1.058 95 V N 5.327 125.271 119.914 0.050 0.000 2.588 95 V HA 0.271 4.391 4.120 -0.001 0.000 0.304 95 V C 0.279 176.329 176.094 -0.074 0.000 1.042 95 V CA -0.896 61.342 62.300 -0.103 0.000 0.877 95 V CB 2.757 34.380 31.823 -0.333 0.000 0.996 95 V HN 0.431 nan 8.190 nan 0.000 0.425 96 L N 5.139 126.299 121.223 -0.105 0.000 2.295 96 L HA 0.495 4.834 4.340 -0.001 0.000 0.288 96 L C -1.064 175.718 176.870 -0.147 0.000 1.079 96 L CA -0.215 54.614 54.840 -0.018 0.000 0.830 96 L CB 0.302 42.373 42.059 0.019 0.000 1.200 96 L HN 0.545 nan 8.230 nan 0.000 0.438 97 F N 5.700 125.694 119.950 0.074 0.000 2.413 97 F HA 0.280 4.807 4.527 -0.001 0.000 0.359 97 F C 0.234 176.068 175.800 0.057 0.000 1.122 97 F CA -0.239 57.800 58.000 0.065 0.000 1.160 97 F CB 0.658 39.702 39.000 0.073 0.000 1.146 97 F HN 0.271 nan 8.300 nan 0.000 0.514 98 L N 3.676 125.002 121.223 0.171 0.000 2.257 98 L HA 0.427 4.766 4.340 -0.001 0.000 0.290 98 L C 0.280 177.227 176.870 0.128 0.000 1.044 98 L CA -0.293 54.616 54.840 0.115 0.000 0.810 98 L CB 1.445 43.539 42.059 0.059 0.000 1.193 98 L HN 0.512 nan 8.230 nan 0.000 0.425 99 T N 2.177 116.791 114.554 0.100 0.000 2.863 99 T HA 0.594 4.944 4.350 -0.001 0.000 0.285 99 T C 0.309 175.022 174.700 0.021 0.000 1.009 99 T CA -0.395 61.755 62.100 0.082 0.000 0.989 99 T CB 1.450 70.392 68.868 0.123 0.000 1.004 99 T HN 0.688 nan 8.240 nan 0.000 0.455 100 G N 2.263 111.065 108.800 0.004 0.000 2.636 100 G HA2 0.494 4.454 3.960 -0.001 0.000 0.246 100 G HA3 0.494 4.454 3.960 -0.001 0.000 0.246 100 G C -0.152 174.704 174.900 -0.073 0.000 1.216 100 G CA 0.143 45.228 45.100 -0.025 0.000 0.854 100 G HN 1.183 nan 8.290 nan 0.000 0.572 101 S N -0.896 114.783 115.700 -0.034 0.000 2.643 101 S HA 0.719 5.189 4.470 -0.001 0.000 0.270 101 S C 0.109 174.760 174.600 0.085 0.000 1.166 101 S CA -0.170 57.996 58.200 -0.057 0.000 0.815 101 S CB 1.025 64.170 63.200 -0.092 0.000 1.139 101 S HN 1.467 nan 8.310 nan 0.000 0.472 102 G N 0.394 109.241 108.800 0.078 0.000 2.554 102 G HA2 0.511 4.471 3.960 -0.001 0.000 0.238 102 G HA3 0.511 4.471 3.960 -0.001 0.000 0.238 102 G C 0.509 175.535 174.900 0.210 0.000 1.259 102 G CA -0.203 45.022 45.100 0.208 0.000 0.843 102 G HN 1.435 nan 8.290 nan 0.000 0.582 103 A N 1.005 123.987 122.820 0.270 0.000 2.531 103 A HA 0.233 4.552 4.320 -0.001 0.000 0.236 103 A C 1.575 179.200 177.584 0.068 0.000 1.062 103 A CA -0.187 51.938 52.037 0.148 0.000 0.760 103 A CB 0.164 19.202 19.000 0.064 0.000 0.995 103 A HN 0.706 nan 8.150 nan 0.000 0.501 104 L N 1.924 123.167 121.223 0.033 0.000 2.056 104 L HA -0.074 4.265 4.340 -0.001 0.000 0.207 104 L C 1.840 178.708 176.870 -0.003 0.000 1.078 104 L CA 1.155 55.999 54.840 0.007 0.000 0.749 104 L CB -0.573 41.483 42.059 -0.004 0.000 0.901 104 L HN 0.911 nan 8.230 nan 0.000 0.433 105 R N 1.268 121.759 120.500 -0.016 0.000 2.784 105 R HA -0.050 4.289 4.340 -0.001 0.000 0.266 105 R C 0.276 176.568 176.300 -0.013 0.000 1.044 105 R CA 0.320 56.406 56.100 -0.024 0.000 1.151 105 R CB -0.344 29.928 30.300 -0.046 0.000 1.037 105 R HN 0.355 nan 8.270 nan 0.000 0.478 106 D N -1.692 118.701 120.400 -0.012 0.000 2.782 106 D HA -0.292 4.347 4.640 -0.001 0.000 0.231 106 D C -0.692 175.618 176.300 0.017 0.000 1.163 106 D CA 1.621 55.621 54.000 0.001 0.000 0.680 106 D CB -1.455 39.344 40.800 -0.001 0.000 1.062 106 D HN 0.835 nan 8.370 nan 0.000 0.425 107 D N -0.251 120.155 120.400 0.011 0.000 2.472 107 D HA 0.257 4.896 4.640 -0.001 0.000 0.237 107 D C 0.636 176.939 176.300 0.005 0.000 1.141 107 D CA 0.775 54.780 54.000 0.008 0.000 0.875 107 D CB 0.509 41.307 40.800 -0.002 0.000 1.192 107 D HN 0.298 nan 8.370 nan 0.000 0.450 108 E N 1.107 121.310 120.200 0.004 0.000 2.637 108 E HA -0.198 4.151 4.350 -0.001 0.000 0.265 108 E C 0.045 176.648 176.600 0.005 0.000 1.073 108 E CA 1.320 57.721 56.400 0.001 0.000 0.778 108 E CB -1.719 27.979 29.700 -0.004 0.000 1.362 108 E HN 0.528 nan 8.360 nan 0.000 0.413 109 T N -3.005 111.557 114.554 0.013 0.000 3.176 109 T HA 0.221 4.570 4.350 -0.001 0.000 0.263 109 T C 0.545 175.255 174.700 0.018 0.000 1.021 109 T CA 0.108 62.216 62.100 0.014 0.000 0.905 109 T CB 0.079 68.957 68.868 0.017 0.000 1.057 109 T HN 0.158 nan 8.240 nan 0.000 0.558 110 N N 1.154 119.864 118.700 0.016 0.000 2.721 110 N HA -0.133 4.606 4.740 -0.001 0.000 0.249 110 N C -0.022 175.504 175.510 0.026 0.000 1.072 110 N CA 1.272 54.332 53.050 0.016 0.000 0.710 110 N CB -1.703 36.791 38.487 0.012 0.000 0.993 110 N HN 0.648 nan 8.380 nan 0.000 0.547 111 T N -0.418 114.159 114.554 0.040 0.000 2.884 111 T HA 0.519 4.869 4.350 -0.001 0.000 0.277 111 T C 0.294 175.034 174.700 0.068 0.000 0.976 111 T CA -0.771 61.365 62.100 0.061 0.000 0.956 111 T CB 0.861 69.780 68.868 0.086 0.000 1.113 111 T HN 0.200 nan 8.240 nan 0.000 0.554 112 L N 2.718 123.996 121.223 0.093 0.000 2.534 112 L HA 0.177 4.516 4.340 -0.001 0.000 0.271 112 L C 0.901 177.814 176.870 0.072 0.000 1.178 112 L CA 1.025 55.914 54.840 0.081 0.000 0.907 112 L CB -0.387 41.735 42.059 0.105 0.000 1.164 112 L HN 0.933 nan 8.230 nan 0.000 0.482 113 Q N 1.522 121.319 119.800 -0.005 0.000 2.416 113 Q HA -0.263 4.076 4.340 -0.001 0.000 0.235 113 Q C 0.077 176.029 176.000 -0.081 0.000 0.773 113 Q CA 0.997 56.746 55.803 -0.090 0.000 1.286 113 Q CB -1.869 26.716 28.738 -0.254 0.000 1.556 113 Q HN 0.865 nan 8.270 nan 0.000 0.650 114 A N -0.601 122.213 122.820 -0.009 0.000 2.261 114 A HA 0.769 5.088 4.320 -0.001 0.000 0.323 114 A C 1.266 178.841 177.584 -0.015 0.000 1.107 114 A CA 0.374 52.411 52.037 0.000 0.000 0.883 114 A CB 0.913 19.945 19.000 0.052 0.000 1.251 114 A HN 0.908 nan 8.150 nan 0.000 0.502 115 G N -1.124 107.662 108.800 -0.023 0.000 2.136 115 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.242 115 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.242 115 G C 0.075 174.955 174.900 -0.034 0.000 0.989 115 G CA 0.462 45.547 45.100 -0.025 0.000 0.682 115 G HN 1.833 nan 8.290 nan 0.000 0.522 116 I N -2.620 117.920 120.570 -0.050 0.000 2.404 116 I HA 0.639 4.809 4.170 -0.001 0.000 0.293 116 I C -0.705 175.351 176.117 -0.102 0.000 0.992 116 I CA -1.156 60.112 61.300 -0.052 0.000 1.149 116 I CB 1.942 39.930 38.000 -0.021 0.000 1.315 116 I HN -0.105 nan 8.210 nan 0.000 0.446 117 D N 5.564 125.906 120.400 -0.095 0.000 2.455 117 D HA 0.080 4.720 4.640 -0.001 0.000 0.234 117 D C 0.904 177.084 176.300 -0.200 0.000 1.224 117 D CA 0.247 54.166 54.000 -0.135 0.000 0.999 117 D CB 0.892 41.635 40.800 -0.095 0.000 1.072 117 D HN 0.657 nan 8.370 nan 0.000 0.514 118 Q N 1.392 120.972 119.800 -0.367 0.000 2.079 118 Q HA -0.098 4.242 4.340 -0.001 0.000 0.200 118 Q C 2.022 177.671 176.000 -0.586 0.000 0.974 118 Q CA 0.949 56.286 55.803 -0.777 0.000 0.840 118 Q CB 0.247 28.220 28.738 -1.274 0.000 0.898 118 Q HN 0.357 nan 8.270 nan 0.000 0.430 119 V N 1.494 121.170 119.914 -0.396 0.000 2.295 119 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 119 V C 1.416 177.402 176.094 -0.180 0.000 1.049 119 V CA 1.170 63.302 62.300 -0.281 0.000 1.024 119 V CB -0.985 30.676 31.823 -0.270 0.000 0.648 119 V HN 0.382 nan 8.190 nan 0.000 0.447 123 A N 1.296 124.039 122.820 -0.129 0.000 1.917 123 A HA -0.005 4.314 4.320 -0.001 0.000 0.219 123 A C -0.018 177.429 177.584 -0.230 0.000 1.182 123 A CA 2.399 54.349 52.037 -0.145 0.000 0.633 123 A CB -1.652 17.293 19.000 -0.092 0.000 0.819 123 A HN 0.432 nan 8.150 nan 0.000 0.448 124 P HA 0.021 nan 4.420 nan 0.000 0.234 124 P C 0.590 177.517 177.300 -0.622 0.000 1.167 124 P CA 0.830 63.755 63.100 -0.291 0.000 0.763 124 P CB -0.110 31.488 31.700 -0.170 0.000 0.835 125 I N -5.431 114.685 120.570 -0.758 0.000 3.578 125 I HA 0.319 4.489 4.170 -0.001 0.000 0.321 125 I C -0.588 174.995 176.117 -0.891 0.000 1.510 125 I CA -0.553 60.000 61.300 -1.244 0.000 1.002 125 I CB 0.329 37.980 38.000 -0.583 0.000 1.427 125 I HN -0.273 nan 8.210 nan 0.000 0.575 126 T N -3.082 111.054 114.554 -0.697 0.000 2.906 126 T HA 0.480 4.829 4.350 -0.001 0.000 0.295 126 T C 0.440 175.140 174.700 0.000 0.000 1.075 126 T CA -0.801 61.199 62.100 -0.166 0.000 1.005 126 T CB 2.745 71.589 68.868 -0.041 0.000 1.136 126 T HN 0.089 nan 8.240 nan 0.000 0.498 127 K N -0.498 120.098 120.400 0.328 0.000 2.148 127 K HA 0.071 4.391 4.320 -0.001 0.000 0.204 127 K C -0.158 176.662 176.600 0.367 0.000 1.050 127 K CA 0.897 57.413 56.287 0.383 0.000 0.942 127 K CB 0.130 32.845 32.500 0.358 0.000 0.724 127 K HN 0.626 nan 8.250 nan 0.000 0.446 128 W N -0.520 120.837 121.300 0.095 0.000 3.372 128 W HA 0.484 5.143 4.660 -0.001 0.000 0.315 128 W C -2.130 174.433 176.519 0.073 0.000 1.223 128 W CA -1.013 56.375 57.345 0.071 0.000 1.202 128 W CB 1.477 30.979 29.460 0.070 0.000 1.367 128 W HN -0.139 nan 8.180 nan 0.000 0.531 129 A N 4.067 126.640 122.820 -0.413 0.000 2.408 129 A HA 0.700 5.020 4.320 -0.001 0.000 0.295 129 A C -2.195 175.016 177.584 -0.622 0.000 1.040 129 A CA -0.394 51.376 52.037 -0.445 0.000 0.707 129 A CB 1.489 20.360 19.000 -0.214 0.000 1.235 129 A HN 0.836 nan 8.150 nan 0.000 0.418 130 H N 0.236 118.842 119.070 -0.775 0.000 3.079 130 H HA 0.624 5.180 4.556 -0.001 0.000 0.356 130 H C -0.853 174.246 175.328 -0.381 0.000 1.221 130 H CA -0.376 55.282 56.048 -0.650 0.000 1.185 130 H CB 1.395 30.528 29.762 -1.048 0.000 1.882 130 H HN 0.765 nan 8.280 nan 0.000 0.543 131 R N 3.813 123.904 120.500 -0.681 0.000 2.338 131 R HA 0.558 4.897 4.340 -0.001 0.000 0.317 131 R C -0.862 175.302 176.300 -0.227 0.000 0.968 131 R CA -0.670 55.209 56.100 -0.369 0.000 0.849 131 R CB 0.897 31.002 30.300 -0.327 0.000 1.128 131 R HN 0.386 nan 8.270 nan 0.000 0.448 135 T N 1.039 115.515 114.554 -0.130 0.000 2.665 135 T HA -0.179 4.170 4.350 -0.001 0.000 0.268 135 T C 1.497 176.177 174.700 -0.033 0.000 1.035 135 T CA 2.515 64.584 62.100 -0.051 0.000 1.151 135 T CB -0.272 68.579 68.868 -0.029 0.000 0.862 135 T HN 0.790 nan 8.240 nan 0.000 0.438 136 E N 0.685 120.844 120.200 -0.068 0.000 2.219 136 E HA -0.150 4.200 4.350 -0.001 0.000 0.198 136 E C 1.751 178.433 176.600 0.137 0.000 0.998 136 E CA 1.169 57.581 56.400 0.020 0.000 0.818 136 E CB -0.482 29.239 29.700 0.033 0.000 0.741 136 E HN 0.740 nan 8.360 nan 0.000 0.477 137 H N -0.744 118.356 119.070 0.049 0.000 2.551 137 H HA 0.137 4.692 4.556 -0.001 0.000 0.266 137 H C 1.704 177.074 175.328 0.070 0.000 0.977 137 H CA -0.093 55.992 56.048 0.062 0.000 1.163 137 H CB 0.110 29.922 29.762 0.082 0.000 1.381 137 H HN 0.118 nan 8.280 nan 0.000 0.581 138 I N 1.342 122.009 120.570 0.162 0.000 2.099 138 I HA -0.208 3.961 4.170 -0.001 0.000 0.239 138 I C -0.590 175.590 176.117 0.106 0.000 1.066 138 I CA 1.200 62.572 61.300 0.121 0.000 1.324 138 I CB -1.091 36.956 38.000 0.079 0.000 1.037 138 I HN 0.210 nan 8.210 nan 0.000 0.401 139 P HA -0.211 nan 4.420 nan 0.000 0.214 139 P C 1.331 178.673 177.300 0.069 0.000 1.163 139 P CA 1.745 64.882 63.100 0.063 0.000 0.889 139 P CB -0.248 31.481 31.700 0.048 0.000 0.790 140 R N -0.814 119.731 120.500 0.074 0.000 2.120 140 R HA -0.067 4.273 4.340 -0.001 0.000 0.234 140 R C 1.761 178.105 176.300 0.074 0.000 1.123 140 R CA 1.345 57.476 56.100 0.053 0.000 0.975 140 R CB -1.463 28.853 30.300 0.027 0.000 0.866 140 R HN 0.097 nan 8.270 nan 0.000 0.446 141 L N 1.415 122.714 121.223 0.128 0.000 2.109 141 L HA 0.068 4.408 4.340 -0.001 0.000 0.207 141 L C 1.263 178.265 176.870 0.221 0.000 1.086 141 L CA 0.724 55.689 54.840 0.208 0.000 0.760 141 L CB -0.393 41.822 42.059 0.259 0.000 0.910 141 L HN -0.006 nan 8.230 nan 0.000 0.437 145 A N 1.425 124.402 122.820 0.262 0.000 1.908 145 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 145 A C 1.782 179.495 177.584 0.215 0.000 1.181 145 A CA 1.748 54.020 52.037 0.392 0.000 0.627 145 A CB -0.682 18.551 19.000 0.387 0.000 0.818 145 A HN 0.476 nan 8.150 nan 0.000 0.445 146 I N -1.058 119.595 120.570 0.137 0.000 2.252 146 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 146 I C 2.780 178.937 176.117 0.067 0.000 1.102 146 I CA 1.326 62.681 61.300 0.092 0.000 1.385 146 I CB -0.352 37.686 38.000 0.065 0.000 1.064 146 I HN 0.292 nan 8.210 nan 0.000 0.414 147 R N 0.767 121.292 120.500 0.042 0.000 2.091 147 R HA -0.168 4.172 4.340 -0.001 0.000 0.238 147 R C 2.457 178.771 176.300 0.023 0.000 1.136 147 R CA 1.589 57.698 56.100 0.014 0.000 0.959 147 R CB -0.546 29.742 30.300 -0.019 0.000 0.856 147 R HN 0.380 nan 8.270 nan 0.000 0.437 148 A N 1.311 124.153 122.820 0.036 0.000 1.902 148 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 148 A C 2.401 180.051 177.584 0.110 0.000 1.181 148 A CA 1.690 53.765 52.037 0.063 0.000 0.623 148 A CB -0.638 18.422 19.000 0.100 0.000 0.818 148 A HN 0.406 nan 8.150 nan 0.000 0.443 149 A N -0.482 122.417 122.820 0.132 0.000 1.902 149 A HA -0.043 4.277 4.320 -0.001 0.000 0.217 149 A C 2.104 179.741 177.584 0.088 0.000 1.181 149 A CA 1.586 53.702 52.037 0.131 0.000 0.623 149 A CB -0.516 18.560 19.000 0.128 0.000 0.818 149 A HN 0.470 nan 8.150 nan 0.000 0.443 150 L N 0.234 121.495 121.223 0.063 0.000 2.446 150 L HA 0.032 4.372 4.340 -0.001 0.000 0.219 150 L C 1.284 178.171 176.870 0.027 0.000 1.116 150 L CA 0.383 55.247 54.840 0.040 0.000 0.844 150 L CB -0.155 41.921 42.059 0.030 0.000 0.970 150 L HN 0.497 nan 8.230 nan 0.000 0.457 151 S N -0.243 115.475 115.700 0.030 0.000 2.672 151 S HA 0.662 5.131 4.470 -0.001 0.000 0.276 151 S C 0.024 174.637 174.600 0.022 0.000 1.207 151 S CA -0.768 57.443 58.200 0.019 0.000 1.002 151 S CB 1.902 65.108 63.200 0.011 0.000 0.998 151 S HN 0.078 nan 8.310 nan 0.000 0.542 152 A N 2.151 124.978 122.820 0.012 0.000 2.363 152 A HA 0.643 4.962 4.320 -0.001 0.000 0.270 152 A C -2.237 175.352 177.584 0.009 0.000 1.121 152 A CA -1.681 50.360 52.037 0.006 0.000 0.800 152 A CB -0.547 18.453 19.000 -0.001 0.000 1.052 152 A HN 0.737 nan 8.150 nan 0.000 0.493 153 P HA 0.322 nan 4.420 nan 0.000 0.275 153 P C -0.424 176.877 177.300 0.003 0.000 1.227 153 P CA -0.409 62.681 63.100 -0.016 0.000 0.781 153 P CB 0.665 32.336 31.700 -0.047 0.000 0.906 154 R N 0.942 121.444 120.500 0.003 0.000 2.784 154 R HA 0.572 4.911 4.340 -0.001 0.000 0.266 154 R C 1.035 177.367 176.300 0.054 0.000 1.044 154 R CA 1.105 57.224 56.100 0.032 0.000 1.151 154 R CB -0.259 30.054 30.300 0.022 0.000 1.037 154 R HN 0.853 nan 8.270 nan 0.000 0.478 155 G N 0.966 109.835 108.800 0.115 0.000 2.451 155 G HA2 0.368 4.327 3.960 -0.001 0.000 0.292 155 G HA3 0.368 4.327 3.960 -0.001 0.000 0.292 155 G C -3.036 172.019 174.900 0.257 0.000 1.427 155 G CA -1.033 44.184 45.100 0.194 0.000 0.792 155 G HN 0.435 nan 8.290 nan 0.000 0.498 156 P HA 0.568 nan 4.420 nan 0.000 0.277 156 P C -0.749 176.764 177.300 0.356 0.000 1.240 156 P CA -0.415 62.923 63.100 0.396 0.000 0.798 156 P CB 2.119 34.120 31.700 0.502 0.000 0.979 157 V N 2.952 123.082 119.914 0.359 0.000 2.789 157 V HA 0.345 4.464 4.120 -0.001 0.000 0.311 157 V C -0.197 176.064 176.094 0.278 0.000 1.073 157 V CA -0.794 61.682 62.300 0.294 0.000 0.921 157 V CB 2.117 34.124 31.823 0.306 0.000 1.009 157 V HN 0.415 nan 8.190 nan 0.000 0.426 158 L N 4.961 126.263 121.223 0.130 0.000 2.305 158 L HA 0.603 4.943 4.340 -0.001 0.000 0.284 158 L C -0.979 175.854 176.870 -0.061 0.000 1.013 158 L CA 0.002 54.892 54.840 0.083 0.000 0.819 158 L CB 1.123 43.196 42.059 0.022 0.000 1.227 158 L HN 0.585 nan 8.230 nan 0.000 0.417 159 L N 4.914 126.138 121.223 0.002 0.000 2.298 159 L HA 0.430 4.769 4.340 -0.001 0.000 0.284 159 L C -1.009 175.834 176.870 -0.045 0.000 1.013 159 L CA -0.435 54.372 54.840 -0.055 0.000 0.824 159 L CB 1.503 43.575 42.059 0.022 0.000 1.221 159 L HN 0.632 nan 8.230 nan 0.000 0.418 160 D N 5.990 126.323 120.400 -0.111 0.000 2.329 160 D HA 0.324 4.964 4.640 -0.001 0.000 0.232 160 D C -0.925 175.337 176.300 -0.063 0.000 1.088 160 D CA -0.259 53.671 54.000 -0.116 0.000 0.835 160 D CB 1.258 41.930 40.800 -0.213 0.000 1.078 160 D HN 0.351 nan 8.370 nan 0.000 0.495 161 L N 6.025 127.238 121.223 -0.017 0.000 2.337 161 L HA 0.358 4.697 4.340 -0.001 0.000 0.269 161 L C -2.223 174.681 176.870 0.056 0.000 1.018 161 L CA -1.831 53.025 54.840 0.026 0.000 0.876 161 L CB 1.782 43.871 42.059 0.051 0.000 1.236 161 L HN 0.154 nan 8.230 nan 0.000 0.436 162 P HA -0.114 nan 4.420 nan 0.000 0.267 162 P C 0.011 177.437 177.300 0.211 0.000 1.200 162 P CA -0.106 63.060 63.100 0.111 0.000 0.772 162 P CB 0.612 32.351 31.700 0.066 0.000 0.855 163 W N 3.442 124.770 121.300 0.047 0.000 2.335 163 W HA -0.183 4.476 4.660 -0.001 0.000 0.311 163 W C 1.632 178.146 176.519 -0.008 0.000 1.213 163 W CA 1.696 59.057 57.345 0.027 0.000 1.274 163 W CB -1.177 28.283 29.460 -0.000 0.000 1.148 163 W HN 0.412 nan 8.180 nan 0.000 0.498 164 D N 0.279 120.741 120.400 0.104 0.000 2.303 164 D HA -0.267 4.372 4.640 -0.001 0.000 0.190 164 D C 2.067 178.364 176.300 -0.005 0.000 1.011 164 D CA 2.756 56.737 54.000 -0.032 0.000 0.860 164 D CB -0.549 40.251 40.800 -0.000 0.000 0.961 164 D HN 0.008 nan 8.370 nan 0.000 0.453 165 I N 0.462 121.054 120.570 0.036 0.000 2.286 165 I HA -0.141 4.028 4.170 -0.001 0.000 0.248 165 I C 1.549 177.693 176.117 0.045 0.000 1.115 165 I CA 0.491 61.807 61.300 0.026 0.000 1.392 165 I CB -1.053 36.966 38.000 0.031 0.000 1.065 165 I HN 0.072 nan 8.210 nan 0.000 0.418 169 Q N 2.057 121.848 119.800 -0.015 0.000 2.293 169 Q HA 0.541 4.881 4.340 -0.001 0.000 0.261 169 Q C -0.573 175.424 176.000 -0.005 0.000 0.960 169 Q CA -0.766 55.034 55.803 -0.005 0.000 0.882 169 Q CB 1.707 30.442 28.738 -0.005 0.000 1.275 169 Q HN 0.550 nan 8.270 nan 0.000 0.445 170 I N -1.895 118.676 120.570 0.002 0.000 2.957 170 I HA 0.359 4.528 4.170 -0.001 0.000 0.310 170 I C -0.350 175.772 176.117 0.008 0.000 1.063 170 I CA -1.102 60.199 61.300 0.003 0.000 1.033 170 I CB 1.170 39.172 38.000 0.002 0.000 1.230 170 I HN 0.447 nan 8.210 nan 0.000 0.447 171 D N 3.604 124.008 120.400 0.008 0.000 2.358 171 D HA 0.022 4.661 4.640 -0.001 0.000 0.258 171 D C -0.106 176.203 176.300 0.015 0.000 1.223 171 D CA -0.187 53.819 54.000 0.010 0.000 0.886 171 D CB 0.813 41.618 40.800 0.008 0.000 1.120 171 D HN 0.784 nan 8.370 nan 0.000 0.482 172 E N 3.442 123.653 120.200 0.018 0.000 2.436 172 E HA -0.077 4.273 4.350 -0.001 0.000 0.262 172 E C -0.276 176.335 176.600 0.019 0.000 1.063 172 E CA -0.199 56.214 56.400 0.022 0.000 0.944 172 E CB 0.502 30.217 29.700 0.026 0.000 0.950 172 E HN 0.424 nan 8.360 nan 0.000 0.444 173 D N 0.501 120.913 120.400 0.019 0.000 2.876 173 D HA -0.186 4.454 4.640 -0.001 0.000 0.196 173 D C 0.821 177.130 176.300 0.016 0.000 1.014 173 D CA 1.547 55.557 54.000 0.017 0.000 1.012 173 D CB -1.621 39.188 40.800 0.015 0.000 1.080 173 D HN 0.542 nan 8.370 nan 0.000 0.438 174 S N -1.182 114.529 115.700 0.017 0.000 2.505 174 S HA 0.281 4.750 4.470 -0.001 0.000 0.216 174 S C 0.611 175.225 174.600 0.023 0.000 1.018 174 S CA 0.411 58.622 58.200 0.018 0.000 0.911 174 S CB 1.397 64.606 63.200 0.016 0.000 0.818 174 S HN 0.281 nan 8.310 nan 0.000 0.497 175 V N 1.706 121.635 119.914 0.025 0.000 2.531 175 V HA 0.662 4.781 4.120 -0.001 0.000 0.301 175 V C -0.949 175.162 176.094 0.028 0.000 1.034 175 V CA -1.204 61.115 62.300 0.032 0.000 0.865 175 V CB 1.370 33.217 31.823 0.039 0.000 0.995 175 V HN 0.381 nan 8.190 nan 0.000 0.424 176 I N 6.607 127.193 120.570 0.027 0.000 2.575 176 I HA 0.404 4.573 4.170 -0.001 0.000 0.285 176 I C -0.110 176.020 176.117 0.022 0.000 1.085 176 I CA 0.253 61.566 61.300 0.021 0.000 1.403 176 I CB 1.284 39.295 38.000 0.017 0.000 1.409 176 I HN 0.595 nan 8.210 nan 0.000 0.557 177 I N 9.692 130.272 120.570 0.015 0.000 2.297 177 I HA 0.320 4.489 4.170 -0.001 0.000 0.291 177 I C -2.029 174.093 176.117 0.008 0.000 1.033 177 I CA -1.622 59.685 61.300 0.012 0.000 1.253 177 I CB 0.389 38.390 38.000 0.002 0.000 1.396 177 I HN 0.444 nan 8.210 nan 0.000 0.476 178 P HA 0.167 nan 4.420 nan 0.000 0.274 178 P C -0.674 176.628 177.300 0.003 0.000 1.237 178 P CA -0.438 62.665 63.100 0.006 0.000 0.793 178 P CB 0.619 32.323 31.700 0.007 0.000 0.977 179 D N 0.287 120.687 120.400 0.001 0.000 2.358 179 D HA 0.115 4.754 4.640 -0.001 0.000 0.244 179 D C -0.036 176.264 176.300 -0.000 0.000 1.163 179 D CA -0.131 53.868 54.000 -0.001 0.000 0.945 179 D CB 0.637 41.437 40.800 -0.001 0.000 1.152 179 D HN 0.171 nan 8.370 nan 0.000 0.451 180 L N 1.875 123.097 121.223 -0.001 0.000 2.433 180 L HA 0.125 4.464 4.340 -0.001 0.000 0.284 180 L C -0.870 175.998 176.870 -0.003 0.000 1.120 180 L CA -0.052 54.788 54.840 -0.000 0.000 0.879 180 L CB 0.122 42.182 42.059 0.001 0.000 1.232 180 L HN 0.026 nan 8.230 nan 0.000 0.454 181 V N 7.042 126.954 119.914 -0.004 0.000 2.275 181 V HA 0.499 4.618 4.120 -0.001 0.000 0.272 181 V C -0.547 175.544 176.094 -0.005 0.000 1.028 181 V CA -0.492 61.806 62.300 -0.003 0.000 0.810 181 V CB 0.992 32.814 31.823 -0.003 0.000 1.043 181 V HN 0.622 nan 8.190 nan 0.000 0.453 182 L N 4.288 125.508 121.223 -0.004 0.000 2.639 182 L HA 0.510 4.849 4.340 -0.001 0.000 0.264 182 L C -0.031 176.836 176.870 -0.005 0.000 0.948 182 L CA 0.121 54.958 54.840 -0.005 0.000 0.912 182 L CB 2.121 44.176 42.059 -0.007 0.000 1.294 182 L HN 0.536 nan 8.230 nan 0.000 0.412 183 S N 3.391 119.097 115.700 0.010 0.000 2.558 183 S HA 0.368 4.837 4.470 -0.001 0.000 0.293 183 S C 1.470 176.052 174.600 -0.029 0.000 1.292 183 S CA 0.445 58.659 58.200 0.023 0.000 1.063 183 S CB 1.005 64.257 63.200 0.086 0.000 0.831 183 S HN 1.053 nan 8.310 nan 0.000 0.499 184 A N 4.684 127.425 122.820 -0.132 0.000 2.119 184 A HA 0.109 4.428 4.320 -0.001 0.000 0.216 184 A C 0.765 178.202 177.584 -0.246 0.000 1.152 184 A CA 0.460 52.366 52.037 -0.219 0.000 0.708 184 A CB -0.423 18.403 19.000 -0.290 0.000 0.805 184 A HN 0.947 nan 8.150 nan 0.000 0.460 185 H N 0.208 119.273 119.070 -0.008 0.000 2.604 185 H HA 0.411 4.966 4.556 -0.001 0.000 0.306 185 H C 0.791 176.111 175.328 -0.013 0.000 1.075 185 H CA -0.205 55.836 56.048 -0.012 0.000 1.357 185 H CB 0.723 30.478 29.762 -0.012 0.000 1.426 185 H HN 0.250 nan 8.280 nan 0.000 0.470 186 G N 1.489 110.341 108.800 0.086 0.000 2.667 186 G HA2 0.324 4.284 3.960 -0.001 0.000 0.250 186 G HA3 0.324 4.284 3.960 -0.001 0.000 0.250 186 G C 0.166 175.090 174.900 0.040 0.000 1.212 186 G CA -0.227 44.900 45.100 0.045 0.000 0.874 186 G HN 0.812 nan 8.290 nan 0.000 0.561 187 A N 0.190 123.022 122.820 0.020 0.000 2.466 187 A HA 0.538 4.857 4.320 -0.001 0.000 0.238 187 A C 0.899 178.482 177.584 -0.002 0.000 1.074 187 A CA 0.218 52.260 52.037 0.008 0.000 0.774 187 A CB 0.135 19.137 19.000 0.003 0.000 1.015 187 A HN 1.015 nan 8.150 nan 0.000 0.498 188 R N 1.177 121.671 120.500 -0.010 0.000 2.888 188 R HA 0.737 5.077 4.340 -0.001 0.000 0.266 188 R C -3.071 173.217 176.300 -0.019 0.000 1.020 188 R CA -1.830 54.258 56.100 -0.020 0.000 0.963 188 R CB 0.277 30.559 30.300 -0.029 0.000 1.197 188 R HN 0.399 nan 8.270 nan 0.000 0.481 189 P HA -0.029 nan 4.420 nan 0.000 0.270 189 P C -0.868 176.424 177.300 -0.013 0.000 1.223 189 P CA -0.173 62.917 63.100 -0.017 0.000 0.785 189 P CB 0.410 32.098 31.700 -0.021 0.000 0.923 190 D N 2.041 122.437 120.400 -0.007 0.000 2.472 190 D HA -0.038 4.601 4.640 -0.001 0.000 0.237 190 D C -1.386 174.912 176.300 -0.003 0.000 1.141 190 D CA -1.185 52.812 54.000 -0.005 0.000 0.875 190 D CB 0.620 41.420 40.800 -0.001 0.000 1.192 190 D HN 0.104 nan 8.370 nan 0.000 0.450 191 P HA -0.159 nan 4.420 nan 0.000 0.216 191 P C 0.863 178.167 177.300 0.007 0.000 1.150 191 P CA 1.764 64.865 63.100 0.001 0.000 0.843 191 P CB 0.082 31.782 31.700 0.001 0.000 0.787 192 A N -0.418 122.406 122.820 0.006 0.000 1.930 192 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 192 A C 1.983 179.575 177.584 0.013 0.000 1.175 192 A CA 1.811 53.854 52.037 0.009 0.000 0.627 192 A CB -1.162 17.842 19.000 0.007 0.000 0.815 192 A HN 0.089 nan 8.150 nan 0.000 0.443 193 D N -0.355 120.051 120.400 0.011 0.000 2.117 193 D HA -0.100 4.540 4.640 -0.001 0.000 0.198 193 D C 1.857 178.168 176.300 0.018 0.000 0.982 193 D CA 0.968 54.976 54.000 0.014 0.000 0.828 193 D CB -0.388 40.418 40.800 0.009 0.000 0.967 193 D HN 0.314 nan 8.370 nan 0.000 0.464 194 L N 1.297 122.527 121.223 0.012 0.000 2.012 194 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 194 L C 1.654 178.550 176.870 0.044 0.000 1.073 194 L CA 1.745 56.594 54.840 0.015 0.000 0.748 194 L CB -0.395 41.664 42.059 0.000 0.000 0.891 194 L HN -0.138 nan 8.230 nan 0.000 0.431 195 D N -0.912 119.511 120.400 0.039 0.000 2.103 195 D HA -0.277 4.363 4.640 -0.001 0.000 0.190 195 D C 2.085 178.416 176.300 0.051 0.000 0.997 195 D CA 1.495 55.522 54.000 0.046 0.000 0.833 195 D CB -0.248 40.568 40.800 0.027 0.000 0.961 195 D HN 0.448 nan 8.370 nan 0.000 0.447 196 Q N 0.012 119.836 119.800 0.039 0.000 2.077 196 Q HA -0.205 4.135 4.340 -0.001 0.000 0.206 196 Q C 2.084 178.120 176.000 0.060 0.000 0.989 196 Q CA 1.745 57.572 55.803 0.040 0.000 0.853 196 Q CB -0.123 28.633 28.738 0.030 0.000 0.907 196 Q HN 0.244 nan 8.270 nan 0.000 0.418 197 A N 0.425 123.285 122.820 0.067 0.000 1.883 197 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 197 A C 1.916 179.591 177.584 0.151 0.000 1.186 197 A CA 1.289 53.380 52.037 0.090 0.000 0.624 197 A CB -0.632 18.409 19.000 0.068 0.000 0.822 197 A HN 0.383 nan 8.150 nan 0.000 0.444 198 L N -0.607 120.724 121.223 0.179 0.000 2.093 198 L HA -0.053 4.287 4.340 -0.001 0.000 0.208 198 L C 2.943 179.949 176.870 0.226 0.000 1.085 198 L CA 1.701 56.728 54.840 0.313 0.000 0.755 198 L CB -1.338 40.911 42.059 0.317 0.000 0.904 198 L HN 0.424 nan 8.230 nan 0.000 0.435 199 A N -0.784 122.099 122.820 0.104 0.000 1.877 199 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 199 A C 2.341 179.959 177.584 0.057 0.000 1.186 199 A CA 1.536 53.595 52.037 0.036 0.000 0.620 199 A CB -0.685 18.325 19.000 0.016 0.000 0.822 199 A HN 0.373 nan 8.150 nan 0.000 0.443 200 L N -1.226 120.046 121.223 0.081 0.000 2.046 200 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 200 L C 2.527 179.464 176.870 0.112 0.000 1.077 200 L CA 1.077 55.963 54.840 0.077 0.000 0.747 200 L CB -0.450 41.652 42.059 0.071 0.000 0.896 200 L HN 0.429 nan 8.230 nan 0.000 0.432 201 L N 0.092 121.426 121.223 0.185 0.000 2.131 201 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 201 L C 2.712 179.782 176.870 0.332 0.000 1.092 201 L CA 1.615 56.611 54.840 0.261 0.000 0.759 201 L CB -0.526 41.746 42.059 0.356 0.000 0.903 201 L HN 0.159 nan 8.230 nan 0.000 0.435 202 R N 0.322 120.989 120.500 0.279 0.000 2.093 202 R HA -0.120 4.219 4.340 -0.001 0.000 0.224 202 R C 1.831 178.162 176.300 0.051 0.000 1.101 202 R CA 1.412 57.583 56.100 0.118 0.000 0.979 202 R CB -0.138 30.008 30.300 -0.257 0.000 0.877 202 R HN 0.507 nan 8.270 nan 0.000 0.441 203 K N -0.084 120.336 120.400 0.033 0.000 2.417 203 K HA 0.270 4.590 4.320 -0.001 0.000 0.196 203 K C -0.108 176.498 176.600 0.010 0.000 1.023 203 K CA 0.122 56.414 56.287 0.009 0.000 1.122 203 K CB 0.670 33.164 32.500 -0.009 0.000 0.850 203 K HN 0.077 nan 8.250 nan 0.000 0.521 204 A N 1.665 124.502 122.820 0.029 0.000 2.351 204 A HA 0.132 4.452 4.320 -0.001 0.000 0.257 204 A C 0.459 178.009 177.584 -0.057 0.000 1.087 204 A CA -0.481 51.548 52.037 -0.013 0.000 0.798 204 A CB 0.554 19.553 19.000 -0.001 0.000 1.033 204 A HN 0.406 nan 8.150 nan 0.000 0.488 205 E N 0.481 120.602 120.200 -0.131 0.000 2.162 205 E HA 0.027 4.377 4.350 -0.001 0.000 0.193 205 E C 0.203 176.549 176.600 -0.423 0.000 0.953 205 E CA 0.548 56.835 56.400 -0.189 0.000 0.849 205 E CB 0.228 29.833 29.700 -0.157 0.000 0.810 205 E HN 0.643 nan 8.360 nan 0.000 0.470 206 R N 1.341 121.475 120.500 -0.610 0.000 2.738 206 R HA 0.226 4.565 4.340 -0.001 0.000 0.280 206 R C -2.596 173.290 176.300 -0.690 0.000 1.456 206 R CA -1.390 53.878 56.100 -1.386 0.000 1.612 206 R CB 1.232 30.597 30.300 -1.557 0.000 1.286 206 R HN 0.088 nan 8.270 nan 0.000 0.660 207 P HA 0.235 nan 4.420 nan 0.000 0.276 207 P C -0.408 177.104 177.300 0.353 0.000 1.244 207 P CA -0.300 62.843 63.100 0.072 0.000 0.801 207 P CB 1.842 33.595 31.700 0.088 0.000 1.006 208 V N 2.496 122.567 119.914 0.261 0.000 2.969 208 V HA 0.380 4.500 4.120 -0.001 0.000 0.304 208 V C -0.159 176.052 176.094 0.196 0.000 1.192 208 V CA -0.631 61.855 62.300 0.310 0.000 0.962 208 V CB 2.329 34.333 31.823 0.302 0.000 1.045 208 V HN 0.377 nan 8.190 nan 0.000 0.428 209 I N 3.778 124.470 120.570 0.203 0.000 2.441 209 I HA 0.627 4.797 4.170 -0.001 0.000 0.295 209 I C -0.888 175.326 176.117 0.163 0.000 0.994 209 I CA -0.922 60.466 61.300 0.147 0.000 1.144 209 I CB 2.109 40.182 38.000 0.122 0.000 1.314 209 I HN 0.241 nan 8.210 nan 0.000 0.445 210 V N 6.919 126.884 119.914 0.086 0.000 2.407 210 V HA 0.421 4.541 4.120 -0.001 0.000 0.291 210 V C -0.086 176.018 176.094 0.016 0.000 1.018 210 V CA -0.573 61.761 62.300 0.057 0.000 0.842 210 V CB 1.597 33.402 31.823 -0.030 0.000 0.996 210 V HN 0.471 nan 8.190 nan 0.000 0.426 211 L N 4.061 125.300 121.223 0.026 0.000 2.334 211 L HA 0.850 5.189 4.340 -0.001 0.000 0.277 211 L C 0.920 177.779 176.870 -0.019 0.000 1.075 211 L CA -0.022 54.819 54.840 0.003 0.000 0.804 211 L CB 1.415 43.482 42.059 0.013 0.000 1.174 211 L HN 0.761 nan 8.230 nan 0.000 0.438 212 G N -0.401 108.378 108.800 -0.035 0.000 3.175 212 G HA2 0.322 4.281 3.960 -0.001 0.000 0.255 212 G HA3 0.322 4.281 3.960 -0.001 0.000 0.255 212 G C 0.726 175.598 174.900 -0.047 0.000 1.352 212 G CA 0.300 45.368 45.100 -0.052 0.000 1.037 212 G HN 0.625 nan 8.290 nan 0.000 0.556 213 S N -0.722 114.937 115.700 -0.067 0.000 2.383 213 S HA -0.132 4.337 4.470 -0.001 0.000 0.229 213 S C 1.619 176.190 174.600 -0.047 0.000 1.030 213 S CA 2.016 60.179 58.200 -0.062 0.000 1.002 213 S CB -0.281 62.863 63.200 -0.093 0.000 0.829 213 S HN 0.509 nan 8.310 nan 0.000 0.467 214 E N 1.658 121.830 120.200 -0.048 0.000 2.204 214 E HA 0.018 4.368 4.350 -0.001 0.000 0.194 214 E C 2.402 178.986 176.600 -0.027 0.000 0.989 214 E CA 0.984 57.363 56.400 -0.036 0.000 0.824 214 E CB -0.602 29.077 29.700 -0.036 0.000 0.756 214 E HN 0.734 nan 8.360 nan 0.000 0.477 215 A N 0.978 123.783 122.820 -0.025 0.000 1.902 215 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 215 A C 2.416 179.992 177.584 -0.015 0.000 1.181 215 A CA 1.878 53.906 52.037 -0.016 0.000 0.623 215 A CB -0.531 18.464 19.000 -0.009 0.000 0.818 215 A HN 0.237 nan 8.150 nan 0.000 0.443 216 S N -0.942 114.748 115.700 -0.016 0.000 2.368 216 S HA -0.135 4.334 4.470 -0.001 0.000 0.224 216 S C 2.193 176.780 174.600 -0.022 0.000 1.029 216 S CA 0.984 59.174 58.200 -0.016 0.000 0.988 216 S CB -0.329 62.862 63.200 -0.014 0.000 0.838 216 S HN 0.529 nan 8.310 nan 0.000 0.462 217 R N 0.889 121.374 120.500 -0.025 0.000 2.120 217 R HA -0.037 4.302 4.340 -0.001 0.000 0.234 217 R C 2.449 178.736 176.300 -0.023 0.000 1.123 217 R CA 1.807 57.893 56.100 -0.024 0.000 0.975 217 R CB -1.731 28.557 30.300 -0.020 0.000 0.866 217 R HN 0.736 nan 8.270 nan 0.000 0.446 218 T N -2.865 111.676 114.554 -0.021 0.000 3.051 218 T HA 0.330 4.679 4.350 -0.001 0.000 0.255 218 T C 1.109 175.797 174.700 -0.021 0.000 1.085 218 T CA 0.519 62.606 62.100 -0.021 0.000 1.109 218 T CB 0.181 69.038 68.868 -0.017 0.000 0.921 218 T HN 0.250 nan 8.240 nan 0.000 0.488 219 A N 1.898 124.707 122.820 -0.018 0.000 2.748 219 A HA -0.173 4.147 4.320 -0.001 0.000 0.297 219 A C 0.621 178.198 177.584 -0.011 0.000 1.508 219 A CA 0.490 52.517 52.037 -0.016 0.000 0.799 219 A CB -1.855 17.131 19.000 -0.023 0.000 1.011 219 A HN 0.456 nan 8.150 nan 0.000 0.500 220 R N 0.074 120.570 120.500 -0.007 0.000 4.113 220 R HA 0.170 4.509 4.340 -0.001 0.000 0.179 220 R C 1.158 177.461 176.300 0.005 0.000 1.781 220 R CA 0.507 56.607 56.100 0.001 0.000 1.402 220 R CB -0.564 29.738 30.300 0.003 0.000 1.375 220 R HN 0.765 nan 8.270 nan 0.000 0.786 221 K N -0.032 120.368 120.400 0.001 0.000 2.025 221 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 221 K C 1.929 178.532 176.600 0.005 0.000 1.049 221 K CA 1.999 58.286 56.287 0.000 0.000 0.933 221 K CB -0.050 32.446 32.500 -0.006 0.000 0.714 221 K HN 0.452 nan 8.250 nan 0.000 0.438 222 T N -0.289 114.268 114.554 0.006 0.000 2.821 222 T HA -0.058 4.291 4.350 -0.001 0.000 0.267 222 T C 2.103 176.815 174.700 0.019 0.000 1.046 222 T CA 1.121 63.227 62.100 0.009 0.000 1.139 222 T CB -0.194 68.679 68.868 0.008 0.000 0.871 222 T HN 0.173 nan 8.240 nan 0.000 0.454 223 A N 1.668 124.502 122.820 0.023 0.000 1.873 223 A HA 0.189 4.508 4.320 -0.001 0.000 0.215 223 A C 2.495 180.117 177.584 0.063 0.000 1.186 223 A CA 1.330 53.386 52.037 0.032 0.000 0.616 223 A CB -1.102 17.908 19.000 0.016 0.000 0.823 223 A HN 0.536 nan 8.150 nan 0.000 0.442 224 L N 0.494 121.752 121.223 0.058 0.000 2.013 224 L HA -0.242 4.097 4.340 -0.001 0.000 0.212 224 L C 2.950 179.870 176.870 0.083 0.000 1.073 224 L CA 2.499 57.397 54.840 0.097 0.000 0.753 224 L CB -0.410 41.681 42.059 0.053 0.000 0.890 224 L HN 0.635 nan 8.230 nan 0.000 0.432 225 S N -0.761 114.958 115.700 0.031 0.000 2.428 225 S HA -0.065 4.404 4.470 -0.001 0.000 0.230 225 S C 2.015 176.610 174.600 -0.008 0.000 1.014 225 S CA 0.722 58.919 58.200 -0.005 0.000 0.957 225 S CB -0.164 63.026 63.200 -0.017 0.000 0.784 225 S HN 0.463 nan 8.310 nan 0.000 0.499 226 A N 0.944 123.778 122.820 0.024 0.000 1.930 226 A HA 0.137 4.457 4.320 -0.001 0.000 0.217 226 A C 1.964 179.572 177.584 0.039 0.000 1.175 226 A CA 1.120 53.172 52.037 0.024 0.000 0.627 226 A CB -1.020 18.004 19.000 0.039 0.000 0.815 226 A HN 0.684 nan 8.150 nan 0.000 0.443 227 F N 0.458 120.354 119.950 -0.089 0.000 2.113 227 F HA -0.141 4.386 4.527 -0.001 0.000 0.297 227 F C 2.123 177.814 175.800 -0.183 0.000 1.103 227 F CA 1.793 59.712 58.000 -0.135 0.000 1.248 227 F CB 0.009 38.944 39.000 -0.109 0.000 0.999 227 F HN 0.038 nan 8.300 nan 0.000 0.475 228 V N 0.737 120.457 119.914 -0.322 0.000 2.358 228 V HA -0.284 3.835 4.120 -0.001 0.000 0.246 228 V C 2.713 178.615 176.094 -0.319 0.000 1.047 228 V CA 1.687 63.742 62.300 -0.409 0.000 1.035 228 V CB -1.410 30.284 31.823 -0.215 0.000 0.658 228 V HN 0.501 nan 8.190 nan 0.000 0.452 229 A N -0.110 122.590 122.820 -0.199 0.000 1.969 229 A HA -0.040 4.279 4.320 -0.001 0.000 0.218 229 A C 2.371 179.854 177.584 -0.169 0.000 1.169 229 A CA 1.904 53.853 52.037 -0.146 0.000 0.635 229 A CB -0.562 18.389 19.000 -0.082 0.000 0.810 229 A HN 0.554 nan 8.150 nan 0.000 0.445 230 A N -0.502 122.181 122.820 -0.228 0.000 1.930 230 A HA -0.006 4.313 4.320 -0.001 0.000 0.215 230 A C 2.355 179.664 177.584 -0.457 0.000 1.176 230 A CA 2.196 54.084 52.037 -0.248 0.000 0.632 230 A CB -0.929 17.948 19.000 -0.205 0.000 0.819 230 A HN 0.705 nan 8.150 nan 0.000 0.445 231 T N -4.469 109.665 114.554 -0.700 0.000 3.051 231 T HA 0.364 4.713 4.350 -0.001 0.000 0.255 231 T C 1.454 175.946 174.700 -0.348 0.000 1.085 231 T CA 1.091 62.704 62.100 -0.813 0.000 1.109 231 T CB -0.267 67.882 68.868 -1.198 0.000 0.921 231 T HN 1.621 nan 8.240 nan 0.000 0.488 232 G N 1.325 109.956 108.800 -0.281 0.000 2.283 232 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.280 232 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.280 232 G C 0.028 174.859 174.900 -0.114 0.000 1.029 232 G CA 0.252 45.260 45.100 -0.153 0.000 0.840 232 G HN 0.708 nan 8.290 nan 0.000 0.505 233 V N 2.415 122.207 119.914 -0.202 0.000 2.432 233 V HA 0.399 4.518 4.120 -0.001 0.000 0.275 233 V C -0.977 175.064 176.094 -0.089 0.000 1.043 233 V CA -1.419 60.829 62.300 -0.086 0.000 0.925 233 V CB 1.487 33.225 31.823 -0.141 0.000 0.985 233 V HN 0.284 nan 8.190 nan 0.000 0.466 234 P HA 0.205 nan 4.420 nan 0.000 0.271 234 P C -0.967 176.258 177.300 -0.125 0.000 1.218 234 P CA -0.002 63.008 63.100 -0.149 0.000 0.780 234 P CB 1.108 32.670 31.700 -0.229 0.000 0.901 235 V N 3.243 122.996 119.914 -0.269 0.000 2.487 235 V HA 0.431 4.551 4.120 -0.001 0.000 0.298 235 V C -0.020 175.867 176.094 -0.346 0.000 1.028 235 V CA -0.397 61.804 62.300 -0.165 0.000 0.860 235 V CB 1.023 32.785 31.823 -0.102 0.000 0.991 235 V HN 0.387 nan 8.190 nan 0.000 0.427 236 F N 1.847 121.761 119.950 -0.060 0.000 2.572 236 F HA 0.934 5.460 4.527 -0.001 0.000 0.342 236 F C 0.501 176.268 175.800 -0.055 0.000 1.064 236 F CA -0.581 57.379 58.000 -0.067 0.000 1.008 236 F CB 1.947 40.892 39.000 -0.092 0.000 1.303 236 F HN 0.646 nan 8.300 nan 0.000 0.492 237 A N 0.358 123.271 122.820 0.154 0.000 2.594 237 A HA 0.568 4.887 4.320 -0.001 0.000 0.295 237 A C -1.553 176.047 177.584 0.027 0.000 1.071 237 A CA -0.843 51.233 52.037 0.064 0.000 0.685 237 A CB 1.098 20.125 19.000 0.044 0.000 1.285 237 A HN 0.674 nan 8.150 nan 0.000 0.405 238 D N 0.013 120.397 120.400 -0.027 0.000 2.414 238 D HA 0.219 4.859 4.640 -0.001 0.000 0.259 238 D C 0.741 177.038 176.300 -0.005 0.000 1.269 238 D CA -0.142 53.789 54.000 -0.116 0.000 1.028 238 D CB -0.070 40.642 40.800 -0.147 0.000 1.093 238 D HN 0.428 nan 8.370 nan 0.000 0.545 239 Y N -0.849 119.523 120.300 0.119 0.000 2.114 239 Y HA -0.143 4.406 4.550 -0.001 0.000 0.282 239 Y C 2.483 178.485 175.900 0.170 0.000 1.165 239 Y CA 1.839 60.075 58.100 0.227 0.000 1.148 239 Y CB -0.870 37.664 38.460 0.123 0.000 0.972 239 Y HN 0.493 nan 8.280 nan 0.000 0.504 240 E N -0.334 119.974 120.200 0.180 0.000 2.208 240 E HA -0.043 4.307 4.350 -0.001 0.000 0.193 240 E C 2.357 178.995 176.600 0.063 0.000 0.988 240 E CA 1.060 57.501 56.400 0.069 0.000 0.828 240 E CB -0.527 29.163 29.700 -0.017 0.000 0.763 240 E HN 0.404 nan 8.360 nan 0.000 0.478 241 G N -0.083 108.755 108.800 0.063 0.000 2.777 241 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.211 241 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.211 241 G C 1.329 176.267 174.900 0.062 0.000 1.149 241 G CA 0.347 45.471 45.100 0.041 0.000 0.785 241 G HN 0.298 nan 8.290 nan 0.000 0.536 242 L N 2.446 123.741 121.223 0.119 0.000 2.021 242 L HA -0.037 4.303 4.340 -0.001 0.000 0.215 242 L C 2.235 179.134 176.870 0.048 0.000 1.074 242 L CA 1.761 56.657 54.840 0.092 0.000 0.760 242 L CB -0.941 41.199 42.059 0.134 0.000 0.889 242 L HN 0.293 nan 8.230 nan 0.000 0.433 246 S N 0.935 116.610 115.700 -0.043 0.000 2.447 246 S HA -0.026 4.443 4.470 -0.001 0.000 0.233 246 S C 1.765 176.338 174.600 -0.045 0.000 1.006 246 S CA 1.507 59.680 58.200 -0.045 0.000 0.957 246 S CB 0.008 63.189 63.200 -0.032 0.000 0.773 246 S HN 0.604 nan 8.310 nan 0.000 0.507 247 G N 0.463 109.239 108.800 -0.040 0.000 2.986 247 G HA2 0.315 4.274 3.960 -0.001 0.000 0.213 247 G HA3 0.315 4.274 3.960 -0.001 0.000 0.213 247 G C 0.304 175.177 174.900 -0.046 0.000 1.156 247 G CA -0.297 44.780 45.100 -0.038 0.000 0.763 247 G HN 0.304 nan 8.290 nan 0.000 0.547 248 L N 1.127 122.315 121.223 -0.058 0.000 2.418 248 L HA 0.306 4.645 4.340 -0.001 0.000 0.265 248 L C -1.968 174.854 176.870 -0.079 0.000 1.143 248 L CA -1.874 52.923 54.840 -0.072 0.000 0.809 248 L CB 0.748 42.754 42.059 -0.088 0.000 1.124 248 L HN -0.103 nan 8.230 nan 0.000 0.456 249 P HA -0.003 nan 4.420 nan 0.000 0.266 249 P C -0.015 177.226 177.300 -0.098 0.000 1.195 249 P CA -0.156 62.894 63.100 -0.082 0.000 0.768 249 P CB 0.563 32.216 31.700 -0.079 0.000 0.838 250 D N 1.022 121.367 120.400 -0.093 0.000 2.104 250 D HA -0.130 4.509 4.640 -0.001 0.000 0.194 250 D C 1.134 177.361 176.300 -0.122 0.000 0.994 250 D CA 1.301 55.238 54.000 -0.105 0.000 0.830 250 D CB -0.321 40.424 40.800 -0.093 0.000 0.959 250 D HN 0.459 nan 8.370 nan 0.000 0.452 254 G N 0.957 109.330 108.800 -0.711 0.000 2.448 254 G HA2 0.254 4.214 3.960 -0.001 0.000 0.218 254 G HA3 0.254 4.214 3.960 -0.001 0.000 0.218 254 G C 0.822 175.338 174.900 -0.641 0.000 1.135 254 G CA 0.951 45.333 45.100 -1.196 0.000 0.784 254 G HN 0.917 nan 8.290 nan 0.000 0.543 255 G N -0.525 108.038 108.800 -0.395 0.000 2.499 255 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.232 255 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.232 255 G C -0.104 174.837 174.900 0.067 0.000 1.251 255 G CA -0.325 44.713 45.100 -0.103 0.000 0.917 255 G HN 0.577 nan 8.290 nan 0.000 0.580 256 L N 1.306 122.601 121.223 0.120 0.000 2.416 256 L HA 0.242 4.581 4.340 -0.001 0.000 0.272 256 L C 2.364 179.364 176.870 0.217 0.000 1.161 256 L CA 0.028 54.953 54.840 0.140 0.000 0.845 256 L CB 1.259 43.390 42.059 0.120 0.000 1.119 256 L HN 0.762 nan 8.230 nan 0.000 0.464 257 V N 0.387 120.368 119.914 0.113 0.000 2.453 257 V HA -0.313 3.806 4.120 -0.001 0.000 0.252 257 V C 2.265 178.322 176.094 -0.062 0.000 1.068 257 V CA 1.924 64.205 62.300 -0.032 0.000 1.070 257 V CB -1.401 30.348 31.823 -0.123 0.000 0.664 257 V HN 1.074 nan 8.190 nan 0.000 0.461 258 Q N 3.657 123.460 119.800 0.004 0.000 2.133 258 Q HA -0.323 4.017 4.340 -0.001 0.000 0.208 258 Q C 1.720 177.789 176.000 0.115 0.000 0.991 258 Q CA 2.419 58.249 55.803 0.044 0.000 0.867 258 Q CB -1.097 27.672 28.738 0.052 0.000 0.911 258 Q HN 0.823 nan 8.270 nan 0.000 0.417 259 N N 0.428 119.227 118.700 0.165 0.000 2.575 259 N HA -0.070 4.669 4.740 -0.001 0.000 0.192 259 N C 1.085 176.798 175.510 0.340 0.000 1.200 259 N CA 0.326 53.535 53.050 0.264 0.000 0.897 259 N CB -0.035 38.621 38.487 0.282 0.000 0.990 259 N HN 0.184 nan 8.380 nan 0.000 0.449 260 L N -0.536 120.703 121.223 0.027 0.000 2.478 260 L HA 0.104 4.444 4.340 -0.001 0.000 0.223 260 L C 1.695 178.631 176.870 0.109 0.000 1.140 260 L CA 0.658 55.308 54.840 -0.316 0.000 0.842 260 L CB -1.086 40.532 42.059 -0.734 0.000 0.953 260 L HN 0.235 nan 8.230 nan 0.000 0.452 261 Y N 0.415 120.763 120.300 0.080 0.000 2.081 261 Y HA -0.349 4.200 4.550 -0.001 0.000 0.280 261 Y C 2.605 178.595 175.900 0.150 0.000 1.163 261 Y CA 2.245 60.396 58.100 0.085 0.000 1.135 261 Y CB -0.279 38.217 38.460 0.060 0.000 0.970 261 Y HN 0.371 nan 8.280 nan 0.000 0.498 262 S N -0.947 114.951 115.700 0.330 0.000 2.603 262 S HA -0.053 4.416 4.470 -0.001 0.000 0.220 262 S C 1.624 176.283 174.600 0.099 0.000 0.967 262 S CA 0.128 58.426 58.200 0.163 0.000 0.920 262 S CB -1.228 62.090 63.200 0.197 0.000 0.773 262 S HN 0.451 nan 8.310 nan 0.000 0.529 263 F N 2.242 122.184 119.950 -0.012 0.000 2.134 263 F HA -0.001 4.525 4.527 -0.001 0.000 0.299 263 F C 2.846 178.650 175.800 0.008 0.000 1.097 263 F CA 0.947 58.965 58.000 0.030 0.000 1.264 263 F CB -0.587 38.447 39.000 0.057 0.000 1.001 263 F HN 0.340 nan 8.300 nan 0.000 0.479 264 A N -0.118 122.779 122.820 0.128 0.000 1.851 264 A HA -0.232 4.087 4.320 -0.001 0.000 0.216 264 A C 2.152 179.741 177.584 0.009 0.000 1.195 264 A CA 1.601 53.658 52.037 0.034 0.000 0.622 264 A CB -0.653 18.317 19.000 -0.050 0.000 0.831 264 A HN 0.096 nan 8.150 nan 0.000 0.444 265 K N -0.024 120.361 120.400 -0.026 0.000 2.574 265 K HA 0.085 4.405 4.320 -0.001 0.000 0.193 265 K C 1.385 177.979 176.600 -0.011 0.000 1.035 265 K CA 0.849 57.124 56.287 -0.021 0.000 0.982 265 K CB -0.344 32.138 32.500 -0.030 0.000 0.795 265 K HN 0.462 nan 8.250 nan 0.000 0.491 266 A N 0.334 123.146 122.820 -0.013 0.000 2.348 266 A HA 0.071 4.390 4.320 -0.001 0.000 0.224 266 A C -0.080 177.506 177.584 0.003 0.000 1.227 266 A CA 0.125 52.145 52.037 -0.029 0.000 0.885 266 A CB 0.309 19.247 19.000 -0.103 0.000 0.933 266 A HN 0.308 nan 8.150 nan 0.000 0.506 267 D N -2.692 117.724 120.400 0.026 0.000 3.090 267 D HA -0.181 4.459 4.640 -0.001 0.000 0.215 267 D C 0.581 176.928 176.300 0.080 0.000 1.140 267 D CA 1.130 55.154 54.000 0.040 0.000 0.937 267 D CB -1.393 39.424 40.800 0.027 0.000 1.108 267 D HN 0.660 nan 8.370 nan 0.000 0.420 268 A N -0.677 122.227 122.820 0.140 0.000 2.606 268 A HA 0.639 4.958 4.320 -0.001 0.000 0.290 268 A C 0.945 178.789 177.584 0.432 0.000 1.174 268 A CA 0.681 52.895 52.037 0.294 0.000 0.958 268 A CB 0.447 19.651 19.000 0.339 0.000 1.194 268 A HN 0.422 nan 8.150 nan 0.000 0.526 269 A N 1.660 124.625 122.820 0.243 0.000 2.566 269 A HA 0.460 4.780 4.320 -0.001 0.000 0.245 269 A C -2.282 175.361 177.584 0.099 0.000 1.056 269 A CA -0.508 51.637 52.037 0.180 0.000 0.757 269 A CB -0.572 18.467 19.000 0.065 0.000 0.979 269 A HN 0.295 nan 8.150 nan 0.000 0.508 270 P HA -0.042 nan 4.420 nan 0.000 0.264 270 P C 0.325 177.583 177.300 -0.071 0.000 1.179 270 P CA 0.269 63.368 63.100 -0.001 0.000 0.763 270 P CB 0.599 32.308 31.700 0.015 0.000 0.806 271 D N 1.867 122.180 120.400 -0.145 0.000 2.183 271 D HA 0.049 4.688 4.640 -0.001 0.000 0.205 271 D C 0.106 176.377 176.300 -0.049 0.000 0.962 271 D CA 0.861 54.791 54.000 -0.116 0.000 0.849 271 D CB 0.211 40.900 40.800 -0.185 0.000 0.978 271 D HN 0.214 nan 8.370 nan 0.000 0.488 272 L N 0.055 121.260 121.223 -0.030 0.000 2.513 272 L HA 0.436 4.775 4.340 -0.001 0.000 0.261 272 L C -1.870 175.022 176.870 0.036 0.000 0.945 272 L CA -0.749 54.100 54.840 0.014 0.000 0.848 272 L CB 2.192 44.266 42.059 0.025 0.000 1.334 272 L HN -0.216 nan 8.230 nan 0.000 0.407 273 V N 5.255 125.194 119.914 0.041 0.000 2.577 273 V HA 0.614 4.733 4.120 -0.001 0.000 0.303 273 V C -1.242 174.877 176.094 0.043 0.000 1.042 273 V CA -0.417 61.906 62.300 0.038 0.000 0.872 273 V CB 1.778 33.596 31.823 -0.007 0.000 0.998 273 V HN 0.804 nan 8.190 nan 0.000 0.423 277 G N 0.766 109.535 108.800 -0.052 0.000 2.176 277 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.253 277 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.253 277 G C 0.318 175.173 174.900 -0.076 0.000 0.979 277 G CA 0.178 45.245 45.100 -0.056 0.000 0.641 277 G HN 0.886 nan 8.290 nan 0.000 0.530 278 A N 0.622 123.383 122.820 -0.099 0.000 2.302 278 A HA 0.764 5.084 4.320 -0.001 0.000 0.295 278 A C 0.725 178.205 177.584 -0.173 0.000 1.235 278 A CA -0.195 51.766 52.037 -0.127 0.000 0.876 278 A CB 0.328 19.243 19.000 -0.142 0.000 1.133 278 A HN 0.477 nan 8.150 nan 0.000 0.533 279 R N 1.200 121.639 120.500 -0.101 0.000 2.528 279 R HA 0.375 4.715 4.340 -0.001 0.000 0.271 279 R C -1.078 175.156 176.300 -0.109 0.000 1.056 279 R CA -0.308 55.757 56.100 -0.058 0.000 1.117 279 R CB 0.725 31.080 30.300 0.091 0.000 1.085 279 R HN 0.662 nan 8.270 nan 0.000 0.530 280 F N 0.896 120.866 119.950 0.033 0.000 2.506 280 F HA 0.309 4.835 4.527 -0.001 0.000 0.371 280 F C 1.334 177.132 175.800 -0.004 0.000 1.078 280 F CA 1.158 59.166 58.000 0.013 0.000 1.195 280 F CB 0.947 39.963 39.000 0.025 0.000 1.099 280 F HN 0.662 nan 8.300 nan 0.000 0.548 281 G N 2.155 111.008 108.800 0.088 0.000 2.336 281 G HA2 0.142 4.102 3.960 -0.001 0.000 0.286 281 G HA3 0.142 4.102 3.960 -0.001 0.000 0.286 281 G C -0.230 174.426 174.900 -0.406 0.000 1.269 281 G CA -0.555 44.475 45.100 -0.118 0.000 0.873 281 G HN 0.577 nan 8.290 nan 0.000 0.494 282 L N 0.718 121.678 121.223 -0.439 0.000 1.991 282 L HA -0.132 4.208 4.340 -0.001 0.000 0.221 282 L C 2.261 179.008 176.870 -0.204 0.000 1.079 282 L CA 3.201 57.829 54.840 -0.354 0.000 0.778 282 L CB -0.659 41.401 42.059 0.001 0.000 0.893 282 L HN 0.565 nan 8.230 nan 0.000 0.437 283 N N -1.042 117.655 118.700 -0.006 0.000 2.396 283 N HA -0.083 4.657 4.740 -0.001 0.000 0.180 283 N C 1.359 176.795 175.510 -0.122 0.000 1.028 283 N CA 1.543 54.546 53.050 -0.079 0.000 0.893 283 N CB -0.431 37.992 38.487 -0.107 0.000 0.967 283 N HN 0.693 nan 8.380 nan 0.000 0.440 284 T N -3.657 110.828 114.554 -0.116 0.000 3.134 284 T HA 0.406 4.755 4.350 -0.001 0.000 0.260 284 T C 1.104 175.763 174.700 -0.069 0.000 1.027 284 T CA 0.151 62.187 62.100 -0.107 0.000 0.913 284 T CB 0.386 69.175 68.868 -0.132 0.000 1.046 284 T HN 0.216 nan 8.240 nan 0.000 0.553 285 G N 1.682 110.397 108.800 -0.141 0.000 2.149 285 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.235 285 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.235 285 G C 0.276 175.196 174.900 0.033 0.000 1.018 285 G CA 0.466 45.531 45.100 -0.058 0.000 0.728 285 G HN 0.917 nan 8.290 nan 0.000 0.508 286 H N -1.902 117.233 119.070 0.109 0.000 1.452 286 H HA -0.241 4.315 4.556 -0.001 0.000 0.090 286 H C 1.986 177.398 175.328 0.140 0.000 0.973 286 H CA 2.386 58.499 56.048 0.109 0.000 1.901 286 H CB -1.247 28.544 29.762 0.049 0.000 2.257 286 H HN 1.158 nan 8.280 nan 0.000 0.961 287 G N -0.833 108.110 108.800 0.238 0.000 3.393 287 G HA2 0.213 4.172 3.960 -0.001 0.000 0.255 287 G HA3 0.213 4.172 3.960 -0.001 0.000 0.255 287 G C 1.153 176.178 174.900 0.208 0.000 1.097 287 G CA 0.617 45.792 45.100 0.126 0.000 0.780 287 G HN 0.693 nan 8.290 nan 0.000 0.540 288 S N -0.243 115.557 115.700 0.167 0.000 2.453 288 S HA 0.219 4.689 4.470 -0.001 0.000 0.231 288 S C 2.060 176.596 174.600 -0.107 0.000 1.005 288 S CA 1.123 59.385 58.200 0.104 0.000 0.949 288 S CB -0.313 62.954 63.200 0.112 0.000 0.774 288 S HN 1.415 nan 8.310 nan 0.000 0.510 289 G N 1.078 109.745 108.800 -0.223 0.000 2.179 289 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.257 289 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.257 289 G C 0.576 175.300 174.900 -0.294 0.000 1.010 289 G CA 0.587 45.370 45.100 -0.529 0.000 0.736 289 G HN 0.606 nan 8.290 nan 0.000 0.513 290 Q N -1.189 118.525 119.800 -0.142 0.000 2.389 290 Q HA 0.301 4.640 4.340 -0.001 0.000 0.204 290 Q C 2.451 178.386 176.000 -0.108 0.000 0.944 290 Q CA 1.009 56.738 55.803 -0.124 0.000 0.908 290 Q CB 0.177 28.910 28.738 -0.008 0.000 1.002 290 Q HN 0.696 nan 8.270 nan 0.000 0.493 291 L N -0.792 120.384 121.223 -0.079 0.000 2.638 291 L HA 0.194 4.533 4.340 -0.001 0.000 0.195 291 L C 0.387 177.168 176.870 -0.148 0.000 1.065 291 L CA -0.097 54.675 54.840 -0.114 0.000 0.859 291 L CB 0.602 42.606 42.059 -0.091 0.000 1.269 291 L HN 0.061 nan 8.230 nan 0.000 0.484 292 I N 2.532 123.057 120.570 -0.076 0.000 2.282 292 I HA 0.280 4.450 4.170 -0.001 0.000 0.290 292 I C -2.335 173.767 176.117 -0.026 0.000 1.090 292 I CA -2.318 58.967 61.300 -0.024 0.000 1.231 292 I CB -0.191 37.873 38.000 0.107 0.000 1.434 292 I HN -0.197 nan 8.210 nan 0.000 0.487 293 P HA 0.044 nan 4.420 nan 0.000 0.266 293 P C 0.863 178.157 177.300 -0.010 0.000 1.195 293 P CA 0.130 63.174 63.100 -0.093 0.000 0.768 293 P CB 0.471 32.143 31.700 -0.047 0.000 0.838 294 H N 1.016 120.092 119.070 0.011 0.000 2.422 294 H HA -0.106 4.450 4.556 -0.001 0.000 0.298 294 H C 1.820 177.149 175.328 0.002 0.000 1.098 294 H CA 2.149 58.198 56.048 0.002 0.000 1.315 294 H CB -0.901 28.855 29.762 -0.010 0.000 1.382 294 H HN 0.455 nan 8.280 nan 0.000 0.523 295 S N 0.024 115.791 115.700 0.111 0.000 2.515 295 S HA 0.195 4.665 4.470 -0.001 0.000 0.231 295 S C 1.271 175.894 174.600 0.037 0.000 0.987 295 S CA 0.146 58.381 58.200 0.058 0.000 0.936 295 S CB -0.097 63.122 63.200 0.032 0.000 0.766 295 S HN 0.429 nan 8.310 nan 0.000 0.528 296 A N 1.238 124.083 122.820 0.042 0.000 2.316 296 A HA 0.482 4.801 4.320 -0.001 0.000 0.284 296 A C 0.092 177.703 177.584 0.045 0.000 1.115 296 A CA -0.674 51.380 52.037 0.029 0.000 0.812 296 A CB 0.326 19.338 19.000 0.020 0.000 1.064 296 A HN 0.502 nan 8.150 nan 0.000 0.489 297 Q N 0.590 120.410 119.800 0.034 0.000 2.296 297 Q HA 0.393 4.732 4.340 -0.001 0.000 0.262 297 Q C -0.919 175.117 176.000 0.061 0.000 0.981 297 Q CA -0.081 55.749 55.803 0.045 0.000 0.905 297 Q CB 1.187 29.946 28.738 0.035 0.000 1.186 297 Q HN 0.486 nan 8.270 nan 0.000 0.399 298 V N 5.150 125.112 119.914 0.081 0.000 2.398 298 V HA 0.394 4.513 4.120 -0.001 0.000 0.286 298 V C -0.158 175.986 176.094 0.083 0.000 1.026 298 V CA -0.583 61.775 62.300 0.097 0.000 0.868 298 V CB 1.434 33.361 31.823 0.173 0.000 0.982 298 V HN 0.630 nan 8.190 nan 0.000 0.443 299 I N 4.643 125.252 120.570 0.066 0.000 2.330 299 I HA 0.436 4.605 4.170 -0.001 0.000 0.289 299 I C -0.051 176.089 176.117 0.039 0.000 1.001 299 I CA -0.079 61.255 61.300 0.056 0.000 1.193 299 I CB 1.333 39.367 38.000 0.058 0.000 1.345 299 I HN 0.610 nan 8.210 nan 0.000 0.461 300 Q N 5.842 125.668 119.800 0.043 0.000 2.333 300 Q HA 0.562 4.902 4.340 -0.001 0.000 0.268 300 Q C -1.606 174.402 176.000 0.013 0.000 1.007 300 Q CA -0.661 55.153 55.803 0.019 0.000 0.810 300 Q CB 2.225 30.994 28.738 0.052 0.000 1.264 300 Q HN 0.495 nan 8.270 nan 0.000 0.452 301 V N 4.046 123.955 119.914 -0.007 0.000 2.357 301 V HA 0.421 4.541 4.120 -0.001 0.000 0.284 301 V C -0.875 175.209 176.094 -0.016 0.000 1.018 301 V CA -0.529 61.765 62.300 -0.010 0.000 0.841 301 V CB 1.562 33.373 31.823 -0.020 0.000 0.991 301 V HN 0.833 nan 8.190 nan 0.000 0.437 302 D N 5.060 125.456 120.400 -0.006 0.000 2.756 302 D HA 0.526 5.166 4.640 -0.001 0.000 0.226 302 D C -1.950 174.348 176.300 -0.003 0.000 1.186 302 D CA -1.346 52.649 54.000 -0.009 0.000 0.845 302 D CB 3.501 44.300 40.800 -0.002 0.000 1.610 302 D HN 0.234 nan 8.370 nan 0.000 0.465 303 P HA -0.024 nan 4.420 nan 0.000 0.223 303 P C -0.268 177.034 177.300 0.005 0.000 1.151 303 P CA 0.657 63.755 63.100 -0.002 0.000 0.787 303 P CB 0.295 31.991 31.700 -0.006 0.000 0.788 304 D N -0.259 120.144 120.400 0.004 0.000 2.349 304 D HA 0.364 5.003 4.640 -0.001 0.000 0.232 304 D C 1.100 177.415 176.300 0.024 0.000 1.071 304 D CA -0.641 53.367 54.000 0.014 0.000 0.832 304 D CB 1.473 42.276 40.800 0.005 0.000 1.086 304 D HN -0.151 nan 8.370 nan 0.000 0.504 305 A N 3.168 126.005 122.820 0.028 0.000 2.019 305 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 305 A C 2.351 179.960 177.584 0.042 0.000 1.164 305 A CA 0.927 52.984 52.037 0.033 0.000 0.644 305 A CB -0.585 18.433 19.000 0.029 0.000 0.805 305 A HN 0.765 nan 8.150 nan 0.000 0.449 306 C N -0.364 118.962 119.300 0.043 0.000 2.413 306 C HA -0.082 4.377 4.460 -0.001 0.000 0.277 306 C C 2.567 177.595 174.990 0.064 0.000 1.265 306 C CA 1.202 60.249 59.018 0.049 0.000 1.752 306 C CB -0.936 26.833 27.740 0.049 0.000 1.998 306 C HN 0.593 nan 8.230 nan 0.000 0.489 307 E N 0.299 120.540 120.200 0.068 0.000 2.274 307 E HA 0.004 4.354 4.350 -0.001 0.000 0.194 307 E C 0.521 177.211 176.600 0.149 0.000 0.996 307 E CA 0.370 56.830 56.400 0.100 0.000 0.840 307 E CB -0.351 29.390 29.700 0.067 0.000 0.772 307 E HN 0.408 nan 8.360 nan 0.000 0.491 308 L N 1.313 122.603 121.223 0.112 0.000 2.774 308 L HA 0.061 4.400 4.340 -0.001 0.000 0.279 308 L C 1.231 178.190 176.870 0.149 0.000 1.137 308 L CA 1.067 55.985 54.840 0.130 0.000 1.021 308 L CB -0.908 41.198 42.059 0.079 0.000 1.366 308 L HN 0.279 nan 8.230 nan 0.000 0.471 309 G N 3.146 112.106 108.800 0.267 0.000 2.246 309 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.273 309 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.273 309 G C 1.290 176.166 174.900 -0.041 0.000 1.055 309 G CA 0.766 45.930 45.100 0.107 0.000 0.851 309 G HN 0.776 nan 8.290 nan 0.000 0.500 310 R N -0.678 119.862 120.500 0.066 0.000 2.096 310 R HA 0.169 4.508 4.340 -0.001 0.000 0.235 310 R C 1.941 178.184 176.300 -0.095 0.000 1.127 310 R CA 1.931 58.041 56.100 0.017 0.000 0.968 310 R CB -0.227 30.128 30.300 0.093 0.000 0.861 310 R HN 0.500 nan 8.270 nan 0.000 0.440 311 L N -0.782 120.281 121.223 -0.266 0.000 2.766 311 L HA 0.347 4.686 4.340 -0.001 0.000 0.242 311 L C 0.162 176.782 176.870 -0.416 0.000 1.136 311 L CA -0.239 54.435 54.840 -0.277 0.000 0.933 311 L CB 0.482 42.464 42.059 -0.128 0.000 1.241 311 L HN 0.303 nan 8.230 nan 0.000 0.522 312 Q N -0.320 119.117 119.800 -0.605 0.000 2.503 312 Q HA 0.376 4.716 4.340 -0.001 0.000 0.268 312 Q C -0.512 175.286 176.000 -0.337 0.000 0.982 312 Q CA -0.534 54.968 55.803 -0.501 0.000 0.907 312 Q CB 2.115 30.424 28.738 -0.714 0.000 1.467 312 Q HN 0.137 nan 8.270 nan 0.000 0.394 313 G N 3.250 111.947 108.800 -0.172 0.000 2.353 313 G HA2 0.376 4.335 3.960 -0.001 0.000 0.239 313 G HA3 0.376 4.335 3.960 -0.001 0.000 0.239 313 G C 0.055 174.952 174.900 -0.005 0.000 1.295 313 G CA 0.056 45.109 45.100 -0.078 0.000 0.884 313 G HN 0.606 nan 8.290 nan 0.000 0.537 314 I N -0.408 120.182 120.570 0.033 0.000 3.067 314 I HA 0.798 4.967 4.170 -0.001 0.000 0.312 314 I C 0.815 176.967 176.117 0.058 0.000 1.073 314 I CA -1.285 60.068 61.300 0.088 0.000 1.016 314 I CB 2.227 40.315 38.000 0.146 0.000 1.227 314 I HN 0.439 nan 8.210 nan 0.000 0.456 315 A N 2.806 125.664 122.820 0.063 0.000 1.973 315 A HA 0.429 4.749 4.320 -0.001 0.000 0.210 315 A C 0.412 178.021 177.584 0.043 0.000 1.200 315 A CA 0.648 52.712 52.037 0.045 0.000 0.707 315 A CB 0.107 19.134 19.000 0.045 0.000 0.862 315 A HN 0.635 nan 8.150 nan 0.000 0.461 316 L N -0.864 120.390 121.223 0.051 0.000 2.516 316 L HA 0.680 5.019 4.340 -0.001 0.000 0.267 316 L C -0.465 176.434 176.870 0.048 0.000 0.957 316 L CA -0.147 54.719 54.840 0.044 0.000 0.860 316 L CB 1.556 43.639 42.059 0.041 0.000 1.265 316 L HN 0.102 nan 8.230 nan 0.000 0.403 317 G N 6.091 114.916 108.800 0.042 0.000 2.522 317 G HA2 0.609 4.568 3.960 -0.001 0.000 0.318 317 G HA3 0.609 4.568 3.960 -0.001 0.000 0.318 317 G C -0.910 174.008 174.900 0.030 0.000 1.192 317 G CA -0.286 44.840 45.100 0.043 0.000 0.988 317 G HN 0.538 nan 8.290 nan 0.000 0.480 318 I N 2.693 123.278 120.570 0.025 0.000 2.355 318 I HA 0.225 4.395 4.170 -0.001 0.000 0.288 318 I C 0.031 176.154 176.117 0.011 0.000 0.999 318 I CA -1.062 60.247 61.300 0.014 0.000 1.163 318 I CB 2.206 40.210 38.000 0.006 0.000 1.316 318 I HN 0.230 nan 8.210 nan 0.000 0.454 319 V N 7.338 127.259 119.914 0.010 0.000 2.353 319 V HA 0.861 4.980 4.120 -0.001 0.000 0.264 319 V C 0.010 176.105 176.094 0.002 0.000 1.049 319 V CA 0.271 62.575 62.300 0.008 0.000 0.896 319 V CB 0.396 32.227 31.823 0.012 0.000 1.025 319 V HN 0.872 nan 8.190 nan 0.000 0.475 320 A N 4.373 127.191 122.820 -0.003 0.000 2.581 320 A HA 0.600 4.920 4.320 -0.001 0.000 0.290 320 A C -1.014 176.565 177.584 -0.010 0.000 1.119 320 A CA -0.591 51.442 52.037 -0.007 0.000 0.670 320 A CB 1.216 20.208 19.000 -0.013 0.000 1.280 320 A HN 0.864 nan 8.150 nan 0.000 0.425 321 D N -0.309 120.085 120.400 -0.009 0.000 2.382 321 D HA 0.350 4.990 4.640 -0.001 0.000 0.245 321 D C 1.075 177.364 176.300 -0.018 0.000 1.120 321 D CA 0.157 54.151 54.000 -0.010 0.000 0.890 321 D CB 1.182 41.981 40.800 -0.002 0.000 1.201 321 D HN 0.171 nan 8.370 nan 0.000 0.433 322 V N 3.707 123.609 119.914 -0.021 0.000 2.358 322 V HA -0.047 4.073 4.120 -0.001 0.000 0.246 322 V C 2.250 178.326 176.094 -0.030 0.000 1.047 322 V CA 2.117 64.400 62.300 -0.029 0.000 1.035 322 V CB -0.808 30.999 31.823 -0.028 0.000 0.658 322 V HN 0.826 nan 8.190 nan 0.000 0.452 323 G N 0.250 109.038 108.800 -0.019 0.000 2.433 323 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.216 323 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.216 323 G C 1.666 176.559 174.900 -0.011 0.000 1.186 323 G CA 0.942 46.035 45.100 -0.013 0.000 0.779 323 G HN 0.571 nan 8.290 nan 0.000 0.543 324 G N 0.041 108.839 108.800 -0.003 0.000 2.442 324 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.219 324 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.219 324 G C 1.845 176.721 174.900 -0.039 0.000 1.141 324 G CA 1.814 46.912 45.100 -0.003 0.000 0.763 324 G HN 0.407 nan 8.290 nan 0.000 0.554 325 T N 1.206 115.727 114.554 -0.054 0.000 2.737 325 T HA -0.015 4.335 4.350 -0.001 0.000 0.265 325 T C 2.394 177.002 174.700 -0.153 0.000 1.038 325 T CA 0.894 62.940 62.100 -0.091 0.000 1.144 325 T CB -0.158 68.662 68.868 -0.080 0.000 0.866 325 T HN 0.239 nan 8.240 nan 0.000 0.434 326 I N 0.807 121.296 120.570 -0.135 0.000 2.151 326 I HA -0.225 3.944 4.170 -0.001 0.000 0.243 326 I C 2.710 178.734 176.117 -0.156 0.000 1.080 326 I CA 1.449 62.648 61.300 -0.168 0.000 1.339 326 I CB -0.331 37.627 38.000 -0.069 0.000 1.039 326 I HN 0.242 nan 8.210 nan 0.000 0.409 327 E N 0.819 120.969 120.200 -0.083 0.000 2.049 327 E HA -0.254 4.095 4.350 -0.001 0.000 0.198 327 E C 2.211 178.762 176.600 -0.082 0.000 1.007 327 E CA 1.850 58.218 56.400 -0.055 0.000 0.809 327 E CB -0.223 29.468 29.700 -0.016 0.000 0.749 327 E HN 0.490 nan 8.360 nan 0.000 0.450 328 A N 0.145 122.905 122.820 -0.099 0.000 1.902 328 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 328 A C 2.204 179.706 177.584 -0.137 0.000 1.181 328 A CA 1.334 53.315 52.037 -0.094 0.000 0.623 328 A CB -0.707 18.245 19.000 -0.081 0.000 0.818 328 A HN 0.267 nan 8.150 nan 0.000 0.443 329 L N -0.805 120.250 121.223 -0.280 0.000 2.046 329 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 329 L C 3.083 179.795 176.870 -0.262 0.000 1.077 329 L CA 1.083 55.630 54.840 -0.487 0.000 0.747 329 L CB -0.550 40.756 42.059 -1.255 0.000 0.896 329 L HN 0.430 nan 8.230 nan 0.000 0.432 330 A N -0.546 122.180 122.820 -0.156 0.000 1.902 330 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 330 A C 2.255 179.864 177.584 0.042 0.000 1.181 330 A CA 1.529 53.585 52.037 0.033 0.000 0.623 330 A CB -0.448 18.574 19.000 0.035 0.000 0.818 330 A HN 0.462 nan 8.150 nan 0.000 0.443 331 Q N -0.770 119.033 119.800 0.006 0.000 2.050 331 Q HA -0.101 4.238 4.340 -0.001 0.000 0.202 331 Q C 2.431 178.459 176.000 0.047 0.000 0.980 331 Q CA 1.373 57.188 55.803 0.020 0.000 0.840 331 Q CB -0.378 28.359 28.738 -0.002 0.000 0.898 331 Q HN 0.674 nan 8.270 nan 0.000 0.424 332 A N -0.020 122.828 122.820 0.047 0.000 1.972 332 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 332 A C 2.119 179.806 177.584 0.172 0.000 1.169 332 A CA 1.804 53.896 52.037 0.091 0.000 0.635 332 A CB -0.503 18.547 19.000 0.083 0.000 0.810 332 A HN 0.283 nan 8.150 nan 0.000 0.446 333 T N -1.313 113.355 114.554 0.190 0.000 3.051 333 T HA 0.318 4.668 4.350 -0.001 0.000 0.255 333 T C 1.939 176.761 174.700 0.203 0.000 1.085 333 T CA 0.878 63.143 62.100 0.276 0.000 1.109 333 T CB -0.195 68.841 68.868 0.279 0.000 0.921 333 T HN 0.502 nan 8.240 nan 0.000 0.488 334 A N 0.794 123.694 122.820 0.133 0.000 1.969 334 A HA -0.013 4.306 4.320 -0.001 0.000 0.218 334 A C 2.027 179.673 177.584 0.103 0.000 1.169 334 A CA 1.002 53.098 52.037 0.099 0.000 0.635 334 A CB -0.198 18.841 19.000 0.065 0.000 0.810 334 A HN 0.316 nan 8.150 nan 0.000 0.445 335 Q N -0.213 119.653 119.800 0.109 0.000 2.282 335 Q HA 0.104 4.443 4.340 -0.001 0.000 0.205 335 Q C 0.142 176.207 176.000 0.109 0.000 0.915 335 Q CA 0.400 56.257 55.803 0.090 0.000 0.949 335 Q CB 0.269 29.047 28.738 0.066 0.000 1.035 335 Q HN 0.662 nan 8.270 nan 0.000 0.484 336 D N -0.466 120.037 120.400 0.171 0.000 3.061 336 D HA 0.230 4.869 4.640 -0.001 0.000 0.243 336 D C 0.476 176.880 176.300 0.174 0.000 1.572 336 D CA 1.392 55.509 54.000 0.195 0.000 1.269 336 D CB 0.242 41.294 40.800 0.420 0.000 1.023 336 D HN -0.081 nan 8.370 nan 0.000 0.280 337 A N -0.286 122.731 122.820 0.329 0.000 2.910 337 A HA -0.135 4.185 4.320 -0.001 0.000 0.267 337 A C 0.663 178.350 177.584 0.171 0.000 1.310 337 A CA 1.520 53.722 52.037 0.276 0.000 0.934 337 A CB -2.199 16.890 19.000 0.147 0.000 1.057 337 A HN 0.598 nan 8.150 nan 0.000 0.742 338 A N -1.062 121.769 122.820 0.019 0.000 2.937 338 A HA 0.555 4.875 4.320 -0.001 0.000 0.338 338 A C -0.610 176.788 177.584 -0.310 0.000 1.273 338 A CA -0.166 51.803 52.037 -0.114 0.000 0.937 338 A CB -0.240 18.658 19.000 -0.170 0.000 1.133 338 A HN 0.890 nan 8.150 nan 0.000 0.491 339 W N 2.490 123.796 121.300 0.011 0.000 2.538 339 W HA 0.506 5.166 4.660 -0.001 0.000 0.322 339 W C -1.967 174.557 176.519 0.007 0.000 1.028 339 W CA -1.898 55.452 57.345 0.009 0.000 1.228 339 W CB 1.141 30.601 29.460 0.001 0.000 1.356 339 W HN 0.447 nan 8.180 nan 0.000 0.452 340 P HA -0.117 nan 4.420 nan 0.000 0.267 340 P C 0.723 178.115 177.300 0.152 0.000 1.201 340 P CA 0.340 63.521 63.100 0.136 0.000 0.775 340 P CB 1.255 33.020 31.700 0.108 0.000 0.854 341 D N 1.883 122.347 120.400 0.106 0.000 2.088 341 D HA -0.215 4.425 4.640 -0.001 0.000 0.191 341 D C 0.568 176.929 176.300 0.102 0.000 0.992 341 D CA 1.283 55.338 54.000 0.092 0.000 0.831 341 D CB 0.147 40.990 40.800 0.071 0.000 0.973 341 D HN 0.277 nan 8.370 nan 0.000 0.447 342 R N -1.918 118.658 120.500 0.128 0.000 3.977 342 R HA -0.174 4.166 4.340 -0.001 0.000 0.428 342 R C 1.465 177.858 176.300 0.155 0.000 1.079 342 R CA 0.905 57.116 56.100 0.185 0.000 1.269 342 R CB -2.598 27.820 30.300 0.198 0.000 1.856 342 R HN 0.430 nan 8.270 nan 0.000 0.551 343 G N 0.982 109.839 108.800 0.096 0.000 2.446 343 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.217 343 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.217 343 G C 1.096 176.035 174.900 0.065 0.000 1.168 343 G CA 1.194 46.327 45.100 0.056 0.000 0.771 343 G HN 0.299 nan 8.290 nan 0.000 0.551 344 D N -0.532 119.929 120.400 0.101 0.000 2.092 344 D HA -0.127 4.513 4.640 -0.001 0.000 0.193 344 D C 1.881 178.292 176.300 0.185 0.000 0.994 344 D CA 0.745 54.816 54.000 0.118 0.000 0.828 344 D CB -0.500 40.373 40.800 0.123 0.000 0.963 344 D HN 0.563 nan 8.370 nan 0.000 0.450 345 W N 1.056 122.379 121.300 0.039 0.000 2.358 345 W HA -0.250 4.410 4.660 -0.000 0.000 0.303 345 W C 1.942 178.505 176.519 0.074 0.000 1.208 345 W CA 0.792 58.176 57.345 0.064 0.000 1.274 345 W CB -0.338 29.165 29.460 0.071 0.000 1.138 345 W HN 0.012 nan 8.180 nan 0.000 0.515 346 C N 0.873 120.092 119.300 -0.135 0.000 2.429 346 C HA -0.135 4.324 4.460 -0.001 0.000 0.277 346 C C 3.209 178.072 174.990 -0.212 0.000 1.262 346 C CA 1.771 60.630 59.018 -0.265 0.000 1.733 346 C CB -1.575 26.087 27.740 -0.129 0.000 2.010 346 C HN 0.506 nan 8.230 nan 0.000 0.483 347 A N 0.521 123.278 122.820 -0.105 0.000 1.902 347 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 347 A C 2.063 179.585 177.584 -0.103 0.000 1.181 347 A CA 2.328 54.316 52.037 -0.082 0.000 0.623 347 A CB -0.495 18.486 19.000 -0.032 0.000 0.818 347 A HN 0.557 nan 8.150 nan 0.000 0.443 348 K N -0.077 120.261 120.400 -0.103 0.000 2.026 348 K HA -0.068 4.252 4.320 -0.001 0.000 0.208 348 K C 1.710 178.177 176.600 -0.222 0.000 1.048 348 K CA 1.800 58.022 56.287 -0.109 0.000 0.929 348 K CB -0.768 31.754 32.500 0.037 0.000 0.713 348 K HN 0.171 nan 8.250 nan 0.000 0.439 349 V N 0.650 120.354 119.914 -0.351 0.000 2.231 349 V HA -0.339 3.780 4.120 -0.001 0.000 0.248 349 V C 2.213 178.268 176.094 -0.065 0.000 1.054 349 V CA 2.499 64.704 62.300 -0.158 0.000 1.015 349 V CB -0.976 30.643 31.823 -0.339 0.000 0.638 349 V HN 0.500 nan 8.190 nan 0.000 0.444 350 T N -0.344 114.129 114.554 -0.136 0.000 2.624 350 T HA -0.252 4.097 4.350 -0.001 0.000 0.268 350 T C 1.636 176.294 174.700 -0.069 0.000 1.041 350 T CA 2.075 64.114 62.100 -0.102 0.000 1.159 350 T CB -0.474 68.326 68.868 -0.114 0.000 0.863 350 T HN 0.535 nan 8.240 nan 0.000 0.434 351 D N 0.654 121.004 120.400 -0.082 0.000 2.144 351 D HA 0.002 4.642 4.640 -0.001 0.000 0.199 351 D C 2.129 178.388 176.300 -0.068 0.000 0.984 351 D CA 0.640 54.600 54.000 -0.066 0.000 0.834 351 D CB -0.390 40.371 40.800 -0.066 0.000 0.955 351 D HN 0.336 nan 8.370 nan 0.000 0.465 352 L N 0.537 121.685 121.223 -0.125 0.000 2.005 352 L HA -0.121 4.219 4.340 -0.001 0.000 0.207 352 L C 2.548 179.420 176.870 0.004 0.000 1.072 352 L CA 1.161 55.909 54.840 -0.153 0.000 0.744 352 L CB -0.522 41.235 42.059 -0.503 0.000 0.895 352 L HN -0.022 nan 8.230 nan 0.000 0.433 353 A N -0.154 122.715 122.820 0.081 0.000 1.892 353 A HA -0.336 3.983 4.320 -0.001 0.000 0.218 353 A C 2.209 179.856 177.584 0.106 0.000 1.188 353 A CA 2.276 54.391 52.037 0.131 0.000 0.631 353 A CB -0.692 18.374 19.000 0.111 0.000 0.822 353 A HN 0.455 nan 8.150 nan 0.000 0.447 354 Q N -0.040 119.791 119.800 0.051 0.000 2.124 354 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 354 Q C 1.878 177.949 176.000 0.118 0.000 0.977 354 Q CA 2.311 58.149 55.803 0.058 0.000 0.850 354 Q CB -0.403 28.337 28.738 0.002 0.000 0.901 354 Q HN 0.767 nan 8.270 nan 0.000 0.429 355 E N -0.429 119.814 120.200 0.072 0.000 2.107 355 E HA -0.182 4.167 4.350 -0.001 0.000 0.191 355 E C 2.048 178.695 176.600 0.078 0.000 0.982 355 E CA 0.593 57.029 56.400 0.059 0.000 0.809 355 E CB -0.094 29.614 29.700 0.014 0.000 0.756 355 E HN 0.337 nan 8.360 nan 0.000 0.459 356 R N -0.295 120.264 120.500 0.099 0.000 2.073 356 R HA -0.206 4.133 4.340 -0.001 0.000 0.234 356 R C 2.258 178.624 176.300 0.110 0.000 1.134 356 R CA 1.622 57.780 56.100 0.097 0.000 0.952 356 R CB -0.536 29.840 30.300 0.128 0.000 0.850 356 R HN 0.265 nan 8.270 nan 0.000 0.433 357 Y N 0.746 121.085 120.300 0.065 0.000 2.081 357 Y HA -0.285 4.265 4.550 -0.001 0.000 0.280 357 Y C 2.252 178.198 175.900 0.076 0.000 1.163 357 Y CA 2.295 60.465 58.100 0.115 0.000 1.135 357 Y CB -0.485 38.064 38.460 0.149 0.000 0.970 357 Y HN 0.236 nan 8.280 nan 0.000 0.498 358 A N -1.199 121.756 122.820 0.224 0.000 1.933 358 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 358 A C 2.447 180.018 177.584 -0.021 0.000 1.175 358 A CA 1.806 53.910 52.037 0.111 0.000 0.628 358 A CB -1.356 17.723 19.000 0.130 0.000 0.814 358 A HN 0.539 nan 8.150 nan 0.000 0.444 359 S N -0.145 115.539 115.700 -0.027 0.000 2.351 359 S HA -0.170 4.299 4.470 -0.001 0.000 0.220 359 S C 1.922 176.424 174.600 -0.162 0.000 1.035 359 S CA 1.722 59.883 58.200 -0.065 0.000 1.031 359 S CB -0.456 62.723 63.200 -0.034 0.000 0.928 359 S HN 0.370 nan 8.310 nan 0.000 0.433 360 I N 2.551 122.961 120.570 -0.268 0.000 2.151 360 I HA -0.149 4.020 4.170 -0.001 0.000 0.243 360 I C 2.904 178.610 176.117 -0.683 0.000 1.080 360 I CA 1.453 62.447 61.300 -0.511 0.000 1.339 360 I CB -2.122 35.406 38.000 -0.787 0.000 1.039 360 I HN 0.400 nan 8.210 nan 0.000 0.409 361 A N 0.765 123.223 122.820 -0.603 0.000 1.978 361 A HA -0.102 4.217 4.320 -0.001 0.000 0.220 361 A C 2.428 179.928 177.584 -0.141 0.000 1.170 361 A CA 1.874 53.753 52.037 -0.262 0.000 0.636 361 A CB -0.784 18.210 19.000 -0.010 0.000 0.810 361 A HN 0.445 nan 8.150 nan 0.000 0.448 362 A N -1.138 121.602 122.820 -0.134 0.000 2.209 362 A HA 0.084 4.404 4.320 -0.001 0.000 0.212 362 A C 1.003 178.529 177.584 -0.097 0.000 1.158 362 A CA 1.208 53.199 52.037 -0.076 0.000 0.742 362 A CB -0.134 18.836 19.000 -0.051 0.000 0.790 362 A HN 0.402 nan 8.150 nan 0.000 0.472 363 K N 0.454 120.749 120.400 -0.175 0.000 3.206 363 K HA 0.421 4.740 4.320 -0.001 0.000 0.180 363 K C -1.095 175.307 176.600 -0.330 0.000 1.088 363 K CA 0.155 56.343 56.287 -0.165 0.000 0.872 363 K CB 1.231 33.670 32.500 -0.101 0.000 0.976 363 K HN 0.119 nan 8.250 nan 0.000 0.564 364 S N -0.330 115.127 115.700 -0.406 0.000 2.540 364 S HA 0.643 5.112 4.470 -0.001 0.000 0.275 364 S C -0.854 173.595 174.600 -0.251 0.000 1.123 364 S CA -0.830 56.840 58.200 -0.884 0.000 0.907 364 S CB 2.042 64.423 63.200 -1.365 0.000 1.081 364 S HN 0.128 nan 8.310 nan 0.000 0.476 365 S N 0.830 116.488 115.700 -0.070 0.000 2.627 365 S HA 0.754 5.224 4.470 -0.001 0.000 0.283 365 S C -1.023 173.733 174.600 0.259 0.000 1.127 365 S CA -0.602 57.704 58.200 0.178 0.000 0.863 365 S CB 1.958 65.225 63.200 0.113 0.000 1.121 365 S HN 0.552 nan 8.310 nan 0.000 0.479 366 S N 1.449 117.252 115.700 0.172 0.000 2.389 366 S HA 0.361 4.831 4.470 -0.001 0.000 0.201 366 S C -1.511 173.145 174.600 0.094 0.000 1.422 366 S CA -0.425 57.847 58.200 0.121 0.000 1.216 366 S CB 0.145 63.400 63.200 0.091 0.000 1.130 366 S HN 0.558 nan 8.310 nan 0.000 0.465 367 E N 2.327 122.587 120.200 0.100 0.000 2.103 367 E HA 0.284 4.633 4.350 -0.001 0.000 0.254 367 E C -0.076 176.625 176.600 0.168 0.000 0.940 367 E CA -0.265 56.198 56.400 0.106 0.000 0.771 367 E CB 0.059 29.807 29.700 0.080 0.000 1.153 367 E HN 0.687 nan 8.360 nan 0.000 0.428 368 H N 1.666 120.752 119.070 0.028 0.000 2.626 368 H HA -0.281 4.275 4.556 -0.001 0.000 0.317 368 H C -0.971 174.372 175.328 0.025 0.000 1.140 368 H CA 0.569 56.631 56.048 0.024 0.000 1.134 368 H CB -0.625 29.149 29.762 0.021 0.000 1.486 368 H HN 0.507 nan 8.280 nan 0.000 0.417 369 A N 0.597 123.427 122.820 0.016 0.000 2.569 369 A HA 0.408 4.728 4.320 -0.001 0.000 0.292 369 A C -1.367 176.217 177.584 -0.000 0.000 1.032 369 A CA -0.522 51.478 52.037 -0.062 0.000 0.669 369 A CB 0.880 19.822 19.000 -0.097 0.000 1.290 369 A HN 0.207 nan 8.150 nan 0.000 0.422 370 L N 1.500 122.707 121.223 -0.026 0.000 2.313 370 L HA 0.490 4.830 4.340 -0.001 0.000 0.282 370 L C 0.251 177.118 176.870 -0.005 0.000 1.092 370 L CA 0.309 55.162 54.840 0.022 0.000 0.831 370 L CB -0.115 41.934 42.059 -0.016 0.000 1.159 370 L HN 0.778 nan 8.230 nan 0.000 0.442 371 H N 6.992 126.041 119.070 -0.036 0.000 2.886 371 H HA 0.177 4.732 4.556 -0.001 0.000 0.329 371 H C -1.749 173.391 175.328 -0.314 0.000 1.044 371 H CA -0.713 55.202 56.048 -0.222 0.000 1.456 371 H CB 1.080 30.633 29.762 -0.348 0.000 1.464 371 H HN 0.561 nan 8.280 nan 0.000 0.573 372 P HA -0.225 nan 4.420 nan 0.000 0.216 372 P C 1.142 178.229 177.300 -0.355 0.000 1.150 372 P CA 1.250 64.013 63.100 -0.561 0.000 0.843 372 P CB -0.036 31.033 31.700 -1.051 0.000 0.787 373 F N -0.411 119.224 119.950 -0.524 0.000 2.102 373 F HA -0.253 4.273 4.527 -0.001 0.000 0.298 373 F C 2.424 178.175 175.800 -0.083 0.000 1.105 373 F CA 1.602 59.457 58.000 -0.242 0.000 1.239 373 F CB -0.416 38.377 39.000 -0.345 0.000 0.991 373 F HN -0.017 nan 8.300 nan 0.000 0.474 374 H N 0.085 119.138 119.070 -0.028 0.000 2.387 374 H HA -0.077 4.478 4.556 -0.001 0.000 0.299 374 H C 2.367 177.661 175.328 -0.056 0.000 1.090 374 H CA 1.145 57.142 56.048 -0.086 0.000 1.332 374 H CB -1.074 28.691 29.762 0.004 0.000 1.386 374 H HN 0.413 nan 8.280 nan 0.000 0.516 375 A N 0.451 123.337 122.820 0.111 0.000 1.902 375 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 375 A C 2.705 180.403 177.584 0.189 0.000 1.181 375 A CA 1.921 54.067 52.037 0.182 0.000 0.623 375 A CB -0.602 18.418 19.000 0.033 0.000 0.818 375 A HN 0.375 nan 8.150 nan 0.000 0.443 376 S N -0.379 115.346 115.700 0.042 0.000 2.383 376 S HA -0.186 4.283 4.470 -0.001 0.000 0.227 376 S C 2.056 176.636 174.600 -0.034 0.000 1.026 376 S CA 1.431 59.651 58.200 0.035 0.000 0.981 376 S CB -0.318 62.902 63.200 0.033 0.000 0.818 376 S HN 0.695 nan 8.310 nan 0.000 0.472 377 Q N 0.415 120.122 119.800 -0.155 0.000 2.124 377 Q HA -0.068 4.271 4.340 -0.001 0.000 0.202 377 Q C 2.188 178.146 176.000 -0.069 0.000 0.977 377 Q CA 1.201 56.920 55.803 -0.141 0.000 0.850 377 Q CB -0.310 28.311 28.738 -0.194 0.000 0.901 377 Q HN 0.359 nan 8.270 nan 0.000 0.429 378 V N 0.861 120.749 119.914 -0.044 0.000 2.515 378 V HA -0.240 3.880 4.120 -0.001 0.000 0.250 378 V C 2.009 178.044 176.094 -0.099 0.000 1.058 378 V CA 1.435 63.664 62.300 -0.118 0.000 1.064 378 V CB -0.372 31.320 31.823 -0.219 0.000 0.675 378 V HN 0.360 nan 8.190 nan 0.000 0.461 379 I N 0.291 120.846 120.570 -0.024 0.000 2.286 379 I HA -0.138 4.031 4.170 -0.001 0.000 0.245 379 I C 2.719 178.872 176.117 0.061 0.000 1.104 379 I CA 1.181 62.502 61.300 0.036 0.000 1.397 379 I CB -0.700 37.356 38.000 0.094 0.000 1.072 379 I HN 0.270 nan 8.210 nan 0.000 0.417 380 A N 2.331 125.159 122.820 0.012 0.000 1.927 380 A HA -0.274 4.046 4.320 -0.001 0.000 0.220 380 A C 2.235 179.783 177.584 -0.059 0.000 1.185 380 A CA 2.344 54.371 52.037 -0.017 0.000 0.639 380 A CB -0.771 18.215 19.000 -0.024 0.000 0.820 380 A HN 0.597 nan 8.150 nan 0.000 0.451 381 K N -1.430 118.898 120.400 -0.120 0.000 2.574 381 K HA -0.112 4.207 4.320 -0.001 0.000 0.193 381 K C 0.808 177.183 176.600 -0.375 0.000 1.035 381 K CA 1.428 57.566 56.287 -0.249 0.000 0.982 381 K CB -0.327 31.989 32.500 -0.307 0.000 0.795 381 K HN 0.696 nan 8.250 nan 0.000 0.491 382 H N 0.303 119.316 119.070 -0.094 0.000 2.755 382 H HA 0.182 4.738 4.556 -0.001 0.000 0.273 382 H C -0.234 175.056 175.328 -0.062 0.000 1.055 382 H CA -0.261 55.736 56.048 -0.085 0.000 1.191 382 H CB 0.831 30.531 29.762 -0.103 0.000 1.536 382 H HN -0.063 nan 8.280 nan 0.000 0.529 383 V N 4.160 124.092 119.914 0.030 0.000 2.432 383 V HA 0.127 4.246 4.120 -0.001 0.000 0.271 383 V C 0.126 176.209 176.094 -0.018 0.000 1.046 383 V CA -0.085 62.222 62.300 0.011 0.000 0.945 383 V CB 1.069 32.891 31.823 -0.002 0.000 0.992 383 V HN 0.487 nan 8.190 nan 0.000 0.471 384 D N 4.001 124.394 120.400 -0.010 0.000 2.946 384 D HA 0.430 5.070 4.640 -0.001 0.000 0.337 384 D C 0.741 177.033 176.300 -0.014 0.000 1.332 384 D CA -0.031 53.955 54.000 -0.022 0.000 0.935 384 D CB 1.178 41.961 40.800 -0.028 0.000 1.440 384 D HN 0.385 nan 8.370 nan 0.000 0.540 385 A N -0.624 122.185 122.820 -0.018 0.000 2.125 385 A HA 0.209 4.529 4.320 -0.001 0.000 0.219 385 A C 1.791 179.370 177.584 -0.008 0.000 1.156 385 A CA 1.743 53.772 52.037 -0.014 0.000 0.671 385 A CB -1.310 17.679 19.000 -0.018 0.000 0.794 385 A HN 0.657 nan 8.150 nan 0.000 0.459 386 G N -1.284 107.512 108.800 -0.006 0.000 3.181 386 G HA2 0.399 4.359 3.960 -0.001 0.000 0.219 386 G HA3 0.399 4.359 3.960 -0.001 0.000 0.219 386 G C -0.084 174.818 174.900 0.003 0.000 1.182 386 G CA 0.419 45.518 45.100 -0.002 0.000 0.791 386 G HN 0.255 nan 8.290 nan 0.000 0.537 387 V N 0.013 119.930 119.914 0.005 0.000 2.686 387 V HA 0.404 4.523 4.120 -0.001 0.000 0.306 387 V C -0.513 175.591 176.094 0.017 0.000 1.065 387 V CA -0.686 61.621 62.300 0.011 0.000 0.894 387 V CB 2.153 33.987 31.823 0.019 0.000 1.004 387 V HN 0.019 nan 8.190 nan 0.000 0.424 388 T N 4.097 118.659 114.554 0.012 0.000 2.767 388 T HA 0.524 4.874 4.350 -0.001 0.000 0.284 388 T C -0.255 174.461 174.700 0.026 0.000 0.973 388 T CA -0.227 61.883 62.100 0.017 0.000 0.996 388 T CB 1.342 70.203 68.868 -0.012 0.000 0.927 388 T HN 0.369 nan 8.240 nan 0.000 0.456 389 V N 4.839 124.800 119.914 0.079 0.000 2.439 389 V HA 0.427 4.546 4.120 -0.001 0.000 0.282 389 V C 0.015 176.096 176.094 -0.021 0.000 1.039 389 V CA -0.620 61.737 62.300 0.095 0.000 0.913 389 V CB 1.554 33.538 31.823 0.267 0.000 0.983 389 V HN 0.650 nan 8.190 nan 0.000 0.460 390 V N 3.970 123.823 119.914 -0.103 0.000 2.459 390 V HA 0.829 4.948 4.120 -0.001 0.000 0.295 390 V C 0.236 176.177 176.094 -0.256 0.000 1.029 390 V CA -0.525 61.632 62.300 -0.237 0.000 0.874 390 V CB 1.653 33.351 31.823 -0.209 0.000 0.985 390 V HN 0.981 nan 8.190 nan 0.000 0.438 391 A N 3.210 125.779 122.820 -0.418 0.000 2.343 391 A HA 0.810 5.129 4.320 -0.001 0.000 0.316 391 A C -0.875 176.397 177.584 -0.520 0.000 1.104 391 A CA -0.407 51.415 52.037 -0.358 0.000 0.768 391 A CB 1.387 20.208 19.000 -0.299 0.000 1.213 391 A HN 0.752 nan 8.150 nan 0.000 0.456 392 D N 0.683 120.891 120.400 -0.321 0.000 2.614 392 D HA 0.610 5.250 4.640 -0.001 0.000 0.264 392 D C 0.567 176.911 176.300 0.073 0.000 1.092 392 D CA 0.764 54.580 54.000 -0.306 0.000 1.071 392 D CB 1.867 42.558 40.800 -0.181 0.000 1.443 392 D HN 1.478 nan 8.370 nan 0.000 0.528 393 G N 0.618 109.605 108.800 0.311 0.000 2.291 393 G HA2 0.188 4.148 3.960 -0.001 0.000 0.271 393 G HA3 0.188 4.148 3.960 -0.001 0.000 0.271 393 G C 0.888 175.986 174.900 0.330 0.000 1.099 393 G CA 0.909 46.190 45.100 0.302 0.000 0.919 393 G HN 1.393 nan 8.290 nan 0.000 0.496 394 A N -0.872 122.245 122.820 0.495 0.000 5.175 394 A HA -0.375 3.944 4.320 -0.001 0.000 0.332 394 A C 2.138 179.585 177.584 -0.229 0.000 1.800 394 A CA 2.623 54.731 52.037 0.118 0.000 0.707 394 A CB -1.524 17.538 19.000 0.104 0.000 1.405 394 A HN 1.415 nan 8.150 nan 0.000 0.388 395 L N -0.604 120.550 121.223 -0.114 0.000 2.021 395 L HA -0.261 4.078 4.340 -0.001 0.000 0.215 395 L C 2.842 179.741 176.870 0.048 0.000 1.074 395 L CA 2.620 57.402 54.840 -0.096 0.000 0.760 395 L CB -1.081 40.956 42.059 -0.036 0.000 0.889 395 L HN 0.895 nan 8.230 nan 0.000 0.433 396 T N -0.540 114.069 114.554 0.092 0.000 2.592 396 T HA -0.296 4.053 4.350 -0.001 0.000 0.267 396 T C 1.587 176.394 174.700 0.179 0.000 1.060 396 T CA 2.415 64.604 62.100 0.148 0.000 1.167 396 T CB -0.593 68.343 68.868 0.112 0.000 0.863 396 T HN 0.606 nan 8.240 nan 0.000 0.431 397 Y N 0.859 121.209 120.300 0.084 0.000 2.475 397 Y HA 0.338 4.888 4.550 -0.001 0.000 0.289 397 Y C 1.908 177.861 175.900 0.088 0.000 1.121 397 Y CA 0.141 58.275 58.100 0.055 0.000 1.257 397 Y CB -0.797 37.617 38.460 -0.078 0.000 1.026 397 Y HN 0.113 nan 8.280 nan 0.000 0.555 398 L N -1.139 119.782 121.223 -0.503 0.000 2.093 398 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 398 L C 2.059 178.845 176.870 -0.139 0.000 1.085 398 L CA 1.513 56.136 54.840 -0.362 0.000 0.755 398 L CB -0.578 41.164 42.059 -0.528 0.000 0.904 398 L HN 0.344 nan 8.230 nan 0.000 0.435 399 W N -0.408 120.898 121.300 0.010 0.000 2.407 399 W HA -0.167 4.493 4.660 -0.001 0.000 0.305 399 W C 2.377 178.993 176.519 0.161 0.000 1.196 399 W CA 0.013 57.425 57.345 0.112 0.000 1.311 399 W CB -0.254 29.264 29.460 0.097 0.000 1.135 399 W HN 0.023 nan 8.180 nan 0.000 0.514 400 L N 1.149 122.597 121.223 0.376 0.000 2.079 400 L HA -0.258 4.082 4.340 -0.001 0.000 0.210 400 L C 2.658 179.685 176.870 0.261 0.000 1.081 400 L CA 2.498 57.511 54.840 0.288 0.000 0.752 400 L CB -1.175 41.045 42.059 0.268 0.000 0.896 400 L HN 0.022 nan 8.230 nan 0.000 0.433 401 S N -1.356 114.517 115.700 0.288 0.000 2.419 401 S HA -0.198 4.272 4.470 -0.001 0.000 0.235 401 S C 1.709 176.448 174.600 0.232 0.000 1.019 401 S CA 1.241 59.604 58.200 0.271 0.000 0.982 401 S CB -0.672 62.760 63.200 0.388 0.000 0.789 401 S HN 0.588 nan 8.310 nan 0.000 0.490 402 E N 1.320 121.699 120.200 0.297 0.000 2.347 402 E HA 0.075 4.424 4.350 -0.001 0.000 0.196 402 E C 1.280 178.141 176.600 0.435 0.000 1.008 402 E CA 0.697 57.318 56.400 0.369 0.000 0.852 402 E CB -0.295 29.695 29.700 0.483 0.000 0.783 402 E HN 0.757 nan 8.360 nan 0.000 0.505 406 R N 2.251 122.684 120.500 -0.111 0.000 2.313 406 R HA 0.225 4.565 4.340 -0.001 0.000 0.199 406 R C 0.606 176.824 176.300 -0.137 0.000 0.958 406 R CA 0.515 56.521 56.100 -0.157 0.000 1.047 406 R CB -0.403 29.740 30.300 -0.261 0.000 0.955 406 R HN 0.394 nan 8.270 nan 0.000 0.481 407 V N -1.441 118.402 119.914 -0.117 0.000 3.193 407 V HA 0.495 4.614 4.120 -0.001 0.000 0.320 407 V C -0.482 175.554 176.094 -0.095 0.000 1.112 407 V CA -1.308 60.931 62.300 -0.102 0.000 1.026 407 V CB 1.767 33.538 31.823 -0.088 0.000 1.128 407 V HN 0.010 nan 8.190 nan 0.000 0.452 408 K N 2.314 122.669 120.400 -0.076 0.000 2.679 408 K HA 0.430 4.750 4.320 -0.001 0.000 0.188 408 K C -2.827 173.747 176.600 -0.043 0.000 1.055 408 K CA -1.429 54.820 56.287 -0.063 0.000 1.006 408 K CB 1.293 33.757 32.500 -0.060 0.000 1.317 408 K HN 0.587 nan 8.250 nan 0.000 0.584 409 P HA 0.021 nan 4.420 nan 0.000 0.275 409 P C 0.632 177.937 177.300 0.008 0.000 1.228 409 P CA -0.069 63.031 63.100 -0.001 0.000 0.786 409 P CB 1.441 33.158 31.700 0.028 0.000 0.927 410 G N 1.865 110.671 108.800 0.009 0.000 2.443 410 G HA2 0.117 4.077 3.960 -0.001 0.000 0.219 410 G HA3 0.117 4.077 3.960 -0.001 0.000 0.219 410 G C 0.675 175.584 174.900 0.014 0.000 1.131 410 G CA 0.599 45.702 45.100 0.004 0.000 0.775 410 G HN 0.802 nan 8.290 nan 0.000 0.547 411 G N -1.466 107.357 108.800 0.039 0.000 2.706 411 G HA2 0.482 4.442 3.960 -0.001 0.000 0.297 411 G HA3 0.482 4.442 3.960 -0.001 0.000 0.297 411 G C -2.075 172.915 174.900 0.151 0.000 1.403 411 G CA -0.730 44.404 45.100 0.056 0.000 0.954 411 G HN 0.130 nan 8.290 nan 0.000 0.500 412 F N 2.598 122.526 119.950 -0.036 0.000 2.612 412 F HA 0.613 5.139 4.527 -0.001 0.000 0.332 412 F C -1.097 174.666 175.800 -0.060 0.000 1.167 412 F CA -1.294 56.683 58.000 -0.039 0.000 0.970 412 F CB 1.385 40.382 39.000 -0.005 0.000 1.234 412 F HN 0.295 nan 8.300 nan 0.000 0.453 413 L N 7.182 128.085 121.223 -0.532 0.000 2.318 413 L HA 0.504 4.843 4.340 -0.001 0.000 0.277 413 L C -0.478 175.934 176.870 -0.764 0.000 1.008 413 L CA -0.591 53.942 54.840 -0.512 0.000 0.846 413 L CB 1.156 43.036 42.059 -0.297 0.000 1.220 413 L HN 0.646 nan 8.230 nan 0.000 0.423 414 C N 1.814 120.626 119.300 -0.813 0.000 2.771 414 C HA 0.537 4.997 4.460 -0.001 0.000 0.333 414 C C 0.404 175.008 174.990 -0.644 0.000 1.267 414 C CA -0.507 57.952 59.018 -0.933 0.000 1.721 414 C CB 1.635 28.631 27.740 -1.241 0.000 2.222 414 C HN 0.688 nan 8.230 nan 0.000 0.485 415 H N 0.779 119.459 119.070 -0.651 0.000 3.038 415 H HA 0.207 4.763 4.556 -0.001 0.000 0.338 415 H C 0.763 175.962 175.328 -0.215 0.000 1.041 415 H CA 1.430 57.226 56.048 -0.420 0.000 1.394 415 H CB 0.229 29.711 29.762 -0.466 0.000 1.357 415 H HN 0.890 nan 8.280 nan 0.000 0.600 416 G N 1.381 110.189 108.800 0.013 0.000 2.849 416 G HA2 0.051 4.011 3.960 -0.001 0.000 0.174 416 G HA3 0.051 4.011 3.960 -0.001 0.000 0.174 416 G C 0.243 175.214 174.900 0.119 0.000 1.370 416 G CA -0.339 44.753 45.100 -0.013 0.000 1.040 416 G HN 0.526 nan 8.290 nan 0.000 0.582 417 Y N -0.190 120.128 120.300 0.030 0.000 2.333 417 Y HA 0.073 4.623 4.550 -0.001 0.000 0.290 417 Y C 2.663 178.575 175.900 0.019 0.000 1.144 417 Y CA 0.065 58.184 58.100 0.031 0.000 1.228 417 Y CB -0.592 37.880 38.460 0.020 0.000 0.985 417 Y HN 0.114 nan 8.280 nan 0.000 0.542 418 L N -0.564 120.754 121.223 0.159 0.000 2.083 418 L HA -0.105 4.234 4.340 -0.001 0.000 0.209 418 L C 1.531 178.389 176.870 -0.021 0.000 1.083 418 L CA 1.661 56.544 54.840 0.071 0.000 0.752 418 L CB -0.906 41.184 42.059 0.051 0.000 0.899 418 L HN 0.493 nan 8.230 nan 0.000 0.433 419 G N 0.356 109.104 108.800 -0.088 0.000 2.305 419 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.287 419 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.287 419 G C 0.318 174.966 174.900 -0.420 0.000 1.036 419 G CA 0.725 45.655 45.100 -0.283 0.000 0.887 419 G HN 0.448 nan 8.290 nan 0.000 0.505 423 V N 2.075 121.800 119.914 -0.316 0.000 2.568 423 V HA -0.034 4.086 4.120 -0.001 0.000 0.253 423 V C 2.927 178.772 176.094 -0.414 0.000 1.072 423 V CA 2.739 64.681 62.300 -0.597 0.000 1.084 423 V CB -0.641 30.857 31.823 -0.542 0.000 0.676 423 V HN 0.443 nan 8.190 nan 0.000 0.469 424 G N -0.916 107.736 108.800 -0.247 0.000 2.440 424 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.218 424 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.218 424 G C 1.481 176.314 174.900 -0.112 0.000 1.154 424 G CA 0.897 45.862 45.100 -0.225 0.000 0.767 424 G HN 0.446 nan 8.290 nan 0.000 0.552 425 F N 2.310 122.154 119.950 -0.177 0.000 2.051 425 F HA 0.027 4.554 4.527 -0.001 0.000 0.296 425 F C 2.726 178.444 175.800 -0.138 0.000 1.122 425 F CA 1.287 59.190 58.000 -0.161 0.000 1.201 425 F CB -0.856 38.050 39.000 -0.156 0.000 0.978 425 F HN 0.136 nan 8.300 nan 0.000 0.472 426 G N -1.252 107.650 108.800 0.171 0.000 2.440 426 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.218 426 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.218 426 G C 1.667 176.577 174.900 0.017 0.000 1.154 426 G CA 1.473 46.623 45.100 0.083 0.000 0.767 426 G HN 0.389 nan 8.290 nan 0.000 0.552 427 T N 1.687 116.230 114.554 -0.019 0.000 2.665 427 T HA -0.082 4.267 4.350 -0.001 0.000 0.268 427 T C 2.780 177.425 174.700 -0.092 0.000 1.035 427 T CA 1.739 63.788 62.100 -0.086 0.000 1.151 427 T CB -0.386 68.388 68.868 -0.155 0.000 0.862 427 T HN 0.396 nan 8.240 nan 0.000 0.438 428 A N 0.793 123.568 122.820 -0.074 0.000 1.930 428 A HA 0.103 4.422 4.320 -0.001 0.000 0.217 428 A C 2.287 179.858 177.584 -0.021 0.000 1.175 428 A CA 1.049 53.043 52.037 -0.072 0.000 0.627 428 A CB -0.793 18.139 19.000 -0.113 0.000 0.815 428 A HN 0.479 nan 8.150 nan 0.000 0.443 429 L N -0.395 120.845 121.223 0.028 0.000 2.017 429 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 429 L C 2.510 179.384 176.870 0.007 0.000 1.073 429 L CA 1.789 56.661 54.840 0.053 0.000 0.745 429 L CB -0.581 41.527 42.059 0.082 0.000 0.894 429 L HN 0.388 nan 8.230 nan 0.000 0.432 430 G N -1.083 107.632 108.800 -0.141 0.000 2.421 430 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.216 430 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.216 430 G C 1.634 176.519 174.900 -0.024 0.000 1.171 430 G CA 0.736 45.661 45.100 -0.292 0.000 0.775 430 G HN 0.586 nan 8.290 nan 0.000 0.543 431 A N 0.289 123.078 122.820 -0.052 0.000 1.908 431 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 431 A C 2.324 179.905 177.584 -0.005 0.000 1.181 431 A CA 2.399 54.412 52.037 -0.040 0.000 0.627 431 A CB -0.495 18.466 19.000 -0.066 0.000 0.818 431 A HN 0.434 nan 8.150 nan 0.000 0.445 432 Q N -0.182 119.629 119.800 0.019 0.000 2.167 432 Q HA -0.079 4.261 4.340 -0.001 0.000 0.202 432 Q C 1.790 177.828 176.000 0.063 0.000 0.970 432 Q CA 1.883 57.708 55.803 0.037 0.000 0.855 432 Q CB -0.530 28.237 28.738 0.049 0.000 0.911 432 Q HN 0.371 nan 8.270 nan 0.000 0.438 433 V N 0.510 120.496 119.914 0.120 0.000 2.307 433 V HA -0.244 3.876 4.120 -0.001 0.000 0.245 433 V C 2.268 178.410 176.094 0.080 0.000 1.045 433 V CA 1.796 64.177 62.300 0.135 0.000 1.024 433 V CB -1.293 30.697 31.823 0.277 0.000 0.651 433 V HN 0.510 nan 8.190 nan 0.000 0.449 434 A N -0.330 122.541 122.820 0.085 0.000 1.972 434 A HA -0.237 4.082 4.320 -0.001 0.000 0.219 434 A C 1.902 179.430 177.584 -0.094 0.000 1.169 434 A CA 1.942 53.878 52.037 -0.169 0.000 0.635 434 A CB -0.516 18.222 19.000 -0.436 0.000 0.810 434 A HN 0.553 nan 8.150 nan 0.000 0.446 435 D N -0.669 119.707 120.400 -0.039 0.000 2.317 435 D HA -0.014 4.626 4.640 -0.001 0.000 0.211 435 D C 1.593 177.892 176.300 -0.002 0.000 0.966 435 D CA 0.319 54.304 54.000 -0.025 0.000 0.876 435 D CB -0.057 40.735 40.800 -0.013 0.000 0.927 435 D HN 0.247 nan 8.370 nan 0.000 0.519 436 L N 1.715 122.947 121.223 0.015 0.000 2.046 436 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 436 L C 2.337 179.227 176.870 0.034 0.000 1.077 436 L CA 1.516 56.376 54.840 0.033 0.000 0.747 436 L CB -0.749 41.340 42.059 0.050 0.000 0.896 436 L HN 0.132 nan 8.230 nan 0.000 0.432 437 E N -0.699 119.522 120.200 0.035 0.000 2.106 437 E HA -0.134 4.216 4.350 -0.001 0.000 0.192 437 E C 1.810 178.420 176.600 0.017 0.000 0.984 437 E CA 1.275 57.698 56.400 0.038 0.000 0.806 437 E CB -0.430 29.304 29.700 0.056 0.000 0.750 437 E HN 0.409 nan 8.360 nan 0.000 0.458 438 A N 1.078 123.898 122.820 -0.001 0.000 2.238 438 A HA 0.350 4.669 4.320 -0.001 0.000 0.208 438 A C 1.767 179.350 177.584 -0.001 0.000 1.177 438 A CA 0.738 52.770 52.037 -0.008 0.000 0.804 438 A CB -0.530 18.456 19.000 -0.025 0.000 0.823 438 A HN 0.398 nan 8.150 nan 0.000 0.482 439 G N -0.528 108.277 108.800 0.007 0.000 2.179 439 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.257 439 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.257 439 G C 0.291 175.196 174.900 0.008 0.000 1.010 439 G CA 0.548 45.654 45.100 0.010 0.000 0.736 439 G HN 0.657 nan 8.290 nan 0.000 0.513 440 R N -0.726 119.777 120.500 0.004 0.000 2.573 440 R HA 0.641 4.980 4.340 -0.001 0.000 0.272 440 R C 0.189 176.493 176.300 0.007 0.000 1.009 440 R CA -0.938 55.163 56.100 0.002 0.000 1.059 440 R CB 0.728 31.025 30.300 -0.006 0.000 1.112 440 R HN 0.012 nan 8.270 nan 0.000 0.517 441 R N 0.651 121.155 120.500 0.007 0.000 2.407 441 R HA 0.294 4.633 4.340 -0.001 0.000 0.303 441 R C -0.713 175.589 176.300 0.003 0.000 0.981 441 R CA -0.362 55.743 56.100 0.008 0.000 0.905 441 R CB 1.871 32.174 30.300 0.005 0.000 1.099 441 R HN 0.590 nan 8.270 nan 0.000 0.459 442 T N 4.166 118.721 114.554 0.003 0.000 2.767 442 T HA 0.457 4.806 4.350 -0.001 0.000 0.284 442 T C 0.301 174.992 174.700 -0.015 0.000 0.973 442 T CA -0.530 61.565 62.100 -0.009 0.000 0.996 442 T CB 0.851 69.711 68.868 -0.012 0.000 0.927 442 T HN 0.192 nan 8.240 nan 0.000 0.456 443 I N 3.975 124.533 120.570 -0.020 0.000 2.378 443 I HA 0.397 4.566 4.170 -0.001 0.000 0.291 443 I C -0.254 175.831 176.117 -0.053 0.000 0.992 443 I CA -1.393 59.891 61.300 -0.027 0.000 1.154 443 I CB 1.163 39.157 38.000 -0.010 0.000 1.315 443 I HN 0.476 nan 8.210 nan 0.000 0.448 444 L N 8.108 129.275 121.223 -0.092 0.000 2.275 444 L HA 0.540 4.879 4.340 -0.001 0.000 0.288 444 L C -0.602 176.205 176.870 -0.106 0.000 1.046 444 L CA -0.157 54.595 54.840 -0.146 0.000 0.805 444 L CB 1.401 43.300 42.059 -0.267 0.000 1.193 444 L HN 0.320 nan 8.230 nan 0.000 0.426 445 V N 4.891 124.754 119.914 -0.084 0.000 2.350 445 V HA 0.610 4.730 4.120 -0.001 0.000 0.285 445 V C 0.147 176.201 176.094 -0.067 0.000 1.014 445 V CA -0.309 61.969 62.300 -0.037 0.000 0.831 445 V CB 0.933 32.777 31.823 0.036 0.000 1.000 445 V HN 0.916 nan 8.190 nan 0.000 0.433 446 T N 3.126 117.632 114.554 -0.080 0.000 2.838 446 T HA 0.772 5.122 4.350 -0.001 0.000 0.292 446 T C 0.145 174.809 174.700 -0.061 0.000 1.113 446 T CA 0.130 62.183 62.100 -0.078 0.000 1.008 446 T CB 1.982 70.772 68.868 -0.129 0.000 1.259 446 T HN 0.858 nan 8.240 nan 0.000 0.520 447 G N 0.402 109.181 108.800 -0.036 0.000 2.477 447 G HA2 0.383 4.343 3.960 -0.001 0.000 0.304 447 G HA3 0.383 4.343 3.960 -0.001 0.000 0.304 447 G C 0.804 175.598 174.900 -0.178 0.000 1.175 447 G CA -0.186 44.875 45.100 -0.065 0.000 0.907 447 G HN 0.810 nan 8.290 nan 0.000 0.509 448 D N 0.185 120.430 120.400 -0.258 0.000 2.218 448 D HA -0.094 4.546 4.640 -0.001 0.000 0.204 448 D C 2.020 178.018 176.300 -0.504 0.000 0.976 448 D CA 1.246 54.955 54.000 -0.485 0.000 0.853 448 D CB -0.611 40.005 40.800 -0.306 0.000 0.939 448 D HN 0.454 nan 8.370 nan 0.000 0.481 449 G N 0.685 109.192 108.800 -0.488 0.000 2.464 449 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.214 449 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.214 449 G C 1.868 176.641 174.900 -0.211 0.000 1.218 449 G CA 1.086 45.636 45.100 -0.918 0.000 0.794 449 G HN 0.337 nan 8.290 nan 0.000 0.542 450 S N -0.243 115.533 115.700 0.126 0.000 2.383 450 S HA -0.127 4.343 4.470 -0.001 0.000 0.229 450 S C 2.318 177.093 174.600 0.291 0.000 1.030 450 S CA 1.066 59.481 58.200 0.359 0.000 1.002 450 S CB -0.347 62.977 63.200 0.208 0.000 0.829 450 S HN 0.168 nan 8.310 nan 0.000 0.467 451 V N 2.024 121.984 119.914 0.078 0.000 2.594 451 V HA -0.100 4.019 4.120 -0.001 0.000 0.253 451 V C 2.199 178.425 176.094 0.220 0.000 1.069 451 V CA 1.889 64.252 62.300 0.105 0.000 1.082 451 V CB -1.052 30.735 31.823 -0.060 0.000 0.680 451 V HN 0.559 nan 8.190 nan 0.000 0.469 452 G N -1.843 107.046 108.800 0.149 0.000 2.448 452 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.219 452 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.219 452 G C 1.330 176.335 174.900 0.175 0.000 1.127 452 G CA 0.965 46.171 45.100 0.175 0.000 0.766 452 G HN 0.593 nan 8.290 nan 0.000 0.552 453 Y N 0.839 121.241 120.300 0.169 0.000 2.274 453 Y HA 0.011 4.560 4.550 -0.001 0.000 0.290 453 Y C 2.104 178.036 175.900 0.054 0.000 1.145 453 Y CA 1.547 59.723 58.100 0.126 0.000 1.203 453 Y CB 0.472 39.000 38.460 0.113 0.000 0.984 453 Y HN 0.144 nan 8.280 nan 0.000 0.533 454 S N -0.957 114.872 115.700 0.215 0.000 2.977 454 S HA 0.148 4.617 4.470 -0.001 0.000 0.250 454 S C 1.121 175.610 174.600 -0.184 0.000 1.005 454 S CA -0.326 57.863 58.200 -0.018 0.000 1.081 454 S CB -0.089 63.062 63.200 -0.082 0.000 1.018 454 S HN 0.331 nan 8.310 nan 0.000 0.539 455 I N 1.959 122.581 120.570 0.087 0.000 2.454 455 I HA -0.100 4.070 4.170 -0.001 0.000 0.254 455 I C 2.171 178.339 176.117 0.085 0.000 1.156 455 I CA 1.252 62.694 61.300 0.236 0.000 1.433 455 I CB -0.077 38.180 38.000 0.428 0.000 1.082 455 I HN 0.492 nan 8.210 nan 0.000 0.432 456 G N -0.082 108.678 108.800 -0.067 0.000 2.470 456 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.220 456 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.220 456 G C 1.367 175.904 174.900 -0.604 0.000 1.121 456 G CA 0.340 45.250 45.100 -0.316 0.000 0.766 456 G HN 0.343 nan 8.290 nan 0.000 0.553 457 E N 0.230 120.000 120.200 -0.716 0.000 2.409 457 E HA -0.018 4.331 4.350 -0.001 0.000 0.198 457 E C 1.802 178.050 176.600 -0.586 0.000 1.024 457 E CA 0.023 55.947 56.400 -0.793 0.000 0.861 457 E CB -0.360 28.599 29.700 -1.236 0.000 0.788 457 E HN 0.623 nan 8.360 nan 0.000 0.521 458 F N 1.121 120.835 119.950 -0.393 0.000 2.161 458 F HA -0.232 4.294 4.527 -0.001 0.000 0.300 458 F C 2.242 177.930 175.800 -0.188 0.000 1.089 458 F CA 1.317 59.281 58.000 -0.061 0.000 1.282 458 F CB -0.048 39.050 39.000 0.163 0.000 1.010 458 F HN 0.065 nan 8.300 nan 0.000 0.485 459 D N -0.434 119.715 120.400 -0.417 0.000 2.123 459 D HA -0.170 4.469 4.640 -0.001 0.000 0.196 459 D C 2.009 178.262 176.300 -0.078 0.000 0.992 459 D CA 1.968 55.813 54.000 -0.258 0.000 0.833 459 D CB -0.139 40.398 40.800 -0.439 0.000 0.954 459 D HN 0.103 nan 8.370 nan 0.000 0.455 460 T N 0.067 114.548 114.554 -0.121 0.000 2.777 460 T HA -0.087 4.262 4.350 -0.001 0.000 0.266 460 T C 1.723 176.441 174.700 0.030 0.000 1.040 460 T CA 0.443 62.519 62.100 -0.041 0.000 1.141 460 T CB -0.191 68.635 68.868 -0.070 0.000 0.868 460 T HN 0.061 nan 8.240 nan 0.000 0.444 461 L N 1.070 122.328 121.223 0.058 0.000 2.042 461 L HA -0.071 4.269 4.340 -0.001 0.000 0.210 461 L C 2.587 179.536 176.870 0.132 0.000 1.076 461 L CA 1.338 56.257 54.840 0.131 0.000 0.749 461 L CB -1.231 40.961 42.059 0.222 0.000 0.893 461 L HN 0.157 nan 8.230 nan 0.000 0.432 462 V N -0.971 119.025 119.914 0.136 0.000 2.323 462 V HA -0.211 3.909 4.120 -0.001 0.000 0.244 462 V C 2.623 178.772 176.094 0.091 0.000 1.041 462 V CA 1.327 63.702 62.300 0.124 0.000 1.025 462 V CB -0.491 31.420 31.823 0.146 0.000 0.656 462 V HN 0.380 nan 8.190 nan 0.000 0.451 463 R N 0.290 120.835 120.500 0.075 0.000 2.091 463 R HA -0.128 4.211 4.340 -0.001 0.000 0.238 463 R C 2.032 178.368 176.300 0.060 0.000 1.136 463 R CA 1.147 57.284 56.100 0.061 0.000 0.959 463 R CB -0.202 30.126 30.300 0.048 0.000 0.856 463 R HN 0.342 nan 8.270 nan 0.000 0.437 464 K N 0.512 120.952 120.400 0.066 0.000 2.404 464 K HA 0.045 4.365 4.320 -0.001 0.000 0.194 464 K C 0.112 176.757 176.600 0.074 0.000 1.023 464 K CA 0.188 56.517 56.287 0.068 0.000 1.094 464 K CB 0.382 32.926 32.500 0.075 0.000 0.841 464 K HN 0.233 nan 8.250 nan 0.000 0.523 465 Q N 0.658 120.506 119.800 0.080 0.000 2.451 465 Q HA -0.178 4.162 4.340 -0.001 0.000 0.305 465 Q C -0.919 175.134 176.000 0.089 0.000 1.345 465 Q CA 0.295 56.148 55.803 0.083 0.000 0.854 465 Q CB -1.901 26.879 28.738 0.069 0.000 1.162 465 Q HN 0.272 nan 8.270 nan 0.000 0.440 466 L N 1.604 122.888 121.223 0.101 0.000 2.260 466 L HA 0.290 4.629 4.340 -0.001 0.000 0.289 466 L C -1.451 175.487 176.870 0.113 0.000 1.057 466 L CA -1.857 53.045 54.840 0.103 0.000 0.811 466 L CB 0.530 42.654 42.059 0.110 0.000 1.184 466 L HN -0.057 nan 8.230 nan 0.000 0.429 467 P HA 0.052 nan 4.420 nan 0.000 0.235 467 P C -0.198 177.161 177.300 0.098 0.000 1.725 467 P CA -0.359 62.805 63.100 0.107 0.000 0.894 467 P CB 0.089 31.845 31.700 0.092 0.000 1.704 468 L N 0.749 122.034 121.223 0.103 0.000 2.456 468 L HA 0.181 4.521 4.340 -0.001 0.000 0.272 468 L C -0.076 176.849 176.870 0.092 0.000 1.189 468 L CA 0.071 54.954 54.840 0.073 0.000 0.846 468 L CB 0.002 42.096 42.059 0.058 0.000 1.111 468 L HN -0.022 nan 8.230 nan 0.000 0.475 469 I N 5.375 125.975 120.570 0.050 0.000 2.339 469 I HA 0.302 4.471 4.170 -0.001 0.000 0.290 469 I C -0.758 175.368 176.117 0.016 0.000 0.994 469 I CA -0.691 60.648 61.300 0.066 0.000 1.191 469 I CB 1.603 39.621 38.000 0.030 0.000 1.343 469 I HN 0.253 nan 8.210 nan 0.000 0.458 470 V N 7.889 127.839 119.914 0.060 0.000 2.334 470 V HA 0.409 4.529 4.120 -0.001 0.000 0.281 470 V C 0.089 176.208 176.094 0.041 0.000 1.016 470 V CA -0.388 61.886 62.300 -0.044 0.000 0.832 470 V CB 1.295 33.038 31.823 -0.134 0.000 0.999 470 V HN 0.473 nan 8.190 nan 0.000 0.439 471 I N 6.464 127.030 120.570 -0.008 0.000 2.321 471 I HA 0.481 4.650 4.170 -0.001 0.000 0.291 471 I C -0.094 175.989 176.117 -0.056 0.000 0.998 471 I CA -0.140 61.164 61.300 0.006 0.000 1.227 471 I CB 1.350 39.391 38.000 0.068 0.000 1.368 471 I HN 0.449 nan 8.210 nan 0.000 0.466 475 N N 2.158 120.833 118.700 -0.041 0.000 2.273 475 N HA 0.090 4.829 4.740 -0.001 0.000 0.231 475 N C -0.352 175.155 175.510 -0.006 0.000 1.134 475 N CA -0.035 52.999 53.050 -0.027 0.000 0.856 475 N CB 0.231 38.702 38.487 -0.028 0.000 1.068 475 N HN 0.446 nan 8.380 nan 0.000 0.510 476 Q N -0.734 119.068 119.800 0.003 0.000 2.480 476 Q HA -0.199 4.141 4.340 -0.001 0.000 0.265 476 Q C -0.898 175.091 176.000 -0.017 0.000 1.072 476 Q CA 1.349 57.159 55.803 0.011 0.000 1.018 476 Q CB -2.754 25.998 28.738 0.023 0.000 1.433 476 Q HN 0.850 nan 8.270 nan 0.000 0.513 477 S N -3.048 112.613 115.700 -0.066 0.000 2.597 477 S HA 0.472 4.941 4.470 -0.001 0.000 0.274 477 S C -1.118 173.420 174.600 -0.104 0.000 1.132 477 S CA -1.125 57.039 58.200 -0.060 0.000 0.835 477 S CB 0.370 63.603 63.200 0.054 0.000 1.092 477 S HN 0.281 nan 8.310 nan 0.000 0.457 478 W N 2.283 123.618 121.300 0.059 0.000 2.518 478 W HA 0.461 5.120 4.660 -0.001 0.000 0.439 478 W C 1.504 178.038 176.519 0.026 0.000 1.075 478 W CA 0.182 57.557 57.345 0.050 0.000 1.646 478 W CB -0.246 29.250 29.460 0.060 0.000 1.721 478 W HN 1.058 nan 8.180 nan 0.000 0.386 479 G N 1.951 110.833 108.800 0.137 0.000 2.484 479 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.215 479 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.215 479 G C 1.703 176.537 174.900 -0.110 0.000 1.219 479 G CA 1.105 46.195 45.100 -0.017 0.000 0.791 479 G HN 0.542 nan 8.290 nan 0.000 0.550 480 A N -0.510 122.264 122.820 -0.077 0.000 1.978 480 A HA -0.057 4.263 4.320 -0.001 0.000 0.220 480 A C 2.453 180.106 177.584 0.115 0.000 1.170 480 A CA 2.568 54.578 52.037 -0.045 0.000 0.636 480 A CB -0.912 18.080 19.000 -0.012 0.000 0.810 480 A HN 0.375 nan 8.150 nan 0.000 0.448 481 T N -0.877 113.759 114.554 0.137 0.000 2.896 481 T HA 0.028 4.377 4.350 -0.001 0.000 0.263 481 T C 1.774 176.614 174.700 0.235 0.000 1.050 481 T CA 1.151 63.346 62.100 0.159 0.000 1.140 481 T CB -0.298 68.633 68.868 0.106 0.000 0.877 481 T HN 0.399 nan 8.240 nan 0.000 0.457 482 L N -0.171 121.193 121.223 0.235 0.000 2.093 482 L HA -0.073 4.266 4.340 -0.001 0.000 0.208 482 L C 2.417 179.470 176.870 0.305 0.000 1.085 482 L CA 1.568 56.558 54.840 0.250 0.000 0.755 482 L CB -0.309 41.890 42.059 0.233 0.000 0.904 482 L HN 0.463 nan 8.230 nan 0.000 0.435 483 H N -1.626 117.527 119.070 0.139 0.000 2.319 483 H HA -0.264 4.292 4.556 -0.001 0.000 0.299 483 H C 2.081 177.473 175.328 0.108 0.000 1.092 483 H CA 1.747 57.858 56.048 0.105 0.000 1.302 483 H CB -0.143 29.674 29.762 0.092 0.000 1.373 483 H HN 0.409 nan 8.280 nan 0.000 0.497 484 F N 2.179 122.225 119.950 0.161 0.000 2.091 484 F HA -0.282 4.244 4.527 -0.001 0.000 0.299 484 F C 2.502 178.340 175.800 0.063 0.000 1.103 484 F CA 1.646 59.697 58.000 0.085 0.000 1.228 484 F CB -0.183 38.856 39.000 0.064 0.000 0.984 484 F HN 0.125 nan 8.300 nan 0.000 0.477 485 Q N -0.260 119.685 119.800 0.241 0.000 2.050 485 Q HA -0.253 4.087 4.340 -0.001 0.000 0.202 485 Q C 2.242 178.238 176.000 -0.007 0.000 0.980 485 Q CA 2.039 57.915 55.803 0.122 0.000 0.840 485 Q CB -0.375 28.466 28.738 0.172 0.000 0.898 485 Q HN 0.602 nan 8.270 nan 0.000 0.424 486 Q N -0.020 119.789 119.800 0.014 0.000 2.050 486 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 486 Q C 2.027 177.975 176.000 -0.086 0.000 0.980 486 Q CA 0.961 56.747 55.803 -0.027 0.000 0.840 486 Q CB -0.043 28.681 28.738 -0.024 0.000 0.898 486 Q HN 0.217 nan 8.270 nan 0.000 0.424 487 L N 0.112 121.263 121.223 -0.119 0.000 2.044 487 L HA -0.074 4.265 4.340 -0.001 0.000 0.205 487 L C 2.187 178.924 176.870 -0.223 0.000 1.075 487 L CA 1.956 56.704 54.840 -0.153 0.000 0.747 487 L CB -1.131 40.850 42.059 -0.130 0.000 0.903 487 L HN 0.177 nan 8.230 nan 0.000 0.435 488 A N -2.033 120.548 122.820 -0.398 0.000 2.095 488 A HA 0.138 4.457 4.320 -0.001 0.000 0.212 488 A C 1.989 179.409 177.584 -0.274 0.000 1.162 488 A CA 1.126 52.883 52.037 -0.466 0.000 0.753 488 A CB -0.040 18.341 19.000 -1.032 0.000 0.840 488 A HN 0.205 nan 8.150 nan 0.000 0.468 489 V N -2.042 117.752 119.914 -0.200 0.000 2.996 489 V HA 0.543 4.662 4.120 -0.001 0.000 0.235 489 V C 1.036 177.096 176.094 -0.056 0.000 1.205 489 V CA 0.577 62.823 62.300 -0.090 0.000 1.225 489 V CB -0.296 31.508 31.823 -0.032 0.000 0.995 489 V HN 0.923 nan 8.190 nan 0.000 0.484 490 G N 0.153 108.922 108.800 -0.052 0.000 2.352 490 G HA2 0.235 4.194 3.960 -0.001 0.000 0.303 490 G HA3 0.235 4.194 3.960 -0.001 0.000 0.303 490 G C -2.654 172.237 174.900 -0.016 0.000 1.593 490 G CA 0.038 45.118 45.100 -0.032 0.000 0.963 490 G HN -0.060 nan 8.290 nan 0.000 0.685 491 P HA -0.156 nan 4.420 nan 0.000 0.216 491 P C 0.906 178.213 177.300 0.012 0.000 1.154 491 P CA 1.761 64.859 63.100 -0.003 0.000 0.865 491 P CB -0.100 31.597 31.700 -0.005 0.000 0.789 492 N N -1.132 117.575 118.700 0.012 0.000 2.376 492 N HA 0.109 4.848 4.740 -0.001 0.000 0.249 492 N C 0.459 175.985 175.510 0.026 0.000 1.140 492 N CA -0.423 52.639 53.050 0.021 0.000 0.870 492 N CB 0.267 38.764 38.487 0.017 0.000 1.124 492 N HN -0.002 nan 8.380 nan 0.000 0.505 493 R N 1.086 121.603 120.500 0.029 0.000 2.633 493 R HA 0.149 4.488 4.340 -0.001 0.000 0.348 493 R C 0.022 176.357 176.300 0.058 0.000 1.100 493 R CA -0.293 55.830 56.100 0.038 0.000 1.068 493 R CB 0.157 30.474 30.300 0.029 0.000 1.351 493 R HN 0.125 nan 8.270 nan 0.000 0.575 494 V N 1.646 121.598 119.914 0.062 0.000 2.405 494 V HA 0.345 4.464 4.120 -0.001 0.000 0.264 494 V C -0.784 175.358 176.094 0.081 0.000 1.048 494 V CA 0.452 62.802 62.300 0.083 0.000 0.966 494 V CB 0.867 32.742 31.823 0.086 0.000 1.015 494 V HN 0.301 nan 8.190 nan 0.000 0.477 495 T N 4.273 118.881 114.554 0.090 0.000 2.933 495 T HA 0.604 4.954 4.350 -0.001 0.000 0.305 495 T C 0.684 175.440 174.700 0.093 0.000 1.092 495 T CA 0.057 62.206 62.100 0.081 0.000 1.008 495 T CB 1.447 70.352 68.868 0.063 0.000 1.102 495 T HN 1.546 nan 8.240 nan 0.000 0.469 496 G N 1.813 110.672 108.800 0.099 0.000 2.269 496 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.277 496 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.277 496 G C 0.692 175.703 174.900 0.186 0.000 1.008 496 G CA 1.209 46.379 45.100 0.117 0.000 0.774 496 G HN 1.193 nan 8.290 nan 0.000 0.511 497 T N -3.513 111.174 114.554 0.221 0.000 3.003 497 T HA 0.403 4.753 4.350 -0.001 0.000 0.261 497 T C 0.997 175.891 174.700 0.323 0.000 1.003 497 T CA -0.090 62.209 62.100 0.332 0.000 0.917 497 T CB 0.634 69.647 68.868 0.242 0.000 1.084 497 T HN 0.475 nan 8.240 nan 0.000 0.522 498 R N 0.879 121.506 120.500 0.212 0.000 2.459 498 R HA 0.651 4.991 4.340 -0.001 0.000 0.281 498 R C -0.742 175.611 176.300 0.090 0.000 1.050 498 R CA -0.488 55.688 56.100 0.127 0.000 1.055 498 R CB 1.057 31.414 30.300 0.094 0.000 1.045 498 R HN 0.249 nan 8.270 nan 0.000 0.495 499 L N 2.726 123.956 121.223 0.011 0.000 2.551 499 L HA 0.252 4.591 4.340 -0.001 0.000 0.248 499 L C -0.538 176.330 176.870 -0.004 0.000 1.509 499 L CA 0.005 54.829 54.840 -0.027 0.000 0.842 499 L CB 1.117 43.076 42.059 -0.166 0.000 1.087 499 L HN 0.564 nan 8.230 nan 0.000 0.512 500 E N 2.005 122.211 120.200 0.010 0.000 2.127 500 E HA 0.294 4.643 4.350 -0.001 0.000 0.262 500 E C -0.622 175.969 176.600 -0.014 0.000 1.144 500 E CA -0.213 56.191 56.400 0.006 0.000 1.144 500 E CB 0.394 30.103 29.700 0.016 0.000 1.297 500 E HN 0.383 nan 8.360 nan 0.000 0.469 501 N N 0.338 119.014 118.700 -0.039 0.000 3.452 501 N HA 0.387 5.126 4.740 -0.001 0.000 0.231 501 N C -1.508 173.891 175.510 -0.185 0.000 1.264 501 N CA 0.251 53.250 53.050 -0.085 0.000 0.928 501 N CB 1.623 40.072 38.487 -0.063 0.000 1.547 501 N HN 0.283 nan 8.380 nan 0.000 0.509 502 G N 0.854 109.502 108.800 -0.254 0.000 3.421 502 G HA2 0.027 3.987 3.960 -0.001 0.000 0.686 502 G HA3 0.027 3.987 3.960 -0.001 0.000 0.686 502 G C -0.661 173.874 174.900 -0.609 0.000 1.056 502 G CA -0.260 44.568 45.100 -0.454 0.000 0.891 502 G HN 0.847 nan 8.290 nan 0.000 0.514 503 S N 2.382 117.801 115.700 -0.467 0.000 2.701 503 S HA 0.438 4.907 4.470 -0.001 0.000 0.317 503 S C 1.541 175.866 174.600 -0.458 0.000 1.149 503 S CA -0.292 57.634 58.200 -0.457 0.000 1.052 503 S CB -0.155 62.749 63.200 -0.492 0.000 1.257 503 S HN 0.532 nan 8.310 nan 0.000 0.532 504 Y N 3.645 123.916 120.300 -0.048 0.000 2.274 504 Y HA -0.163 4.386 4.550 -0.001 0.000 0.290 504 Y C 2.591 178.477 175.900 -0.022 0.000 1.145 504 Y CA 1.850 59.965 58.100 0.026 0.000 1.203 504 Y CB -0.604 37.934 38.460 0.129 0.000 0.984 504 Y HN 0.841 nan 8.280 nan 0.000 0.533 505 H N -2.304 116.837 119.070 0.117 0.000 2.357 505 H HA 0.025 4.581 4.556 -0.001 0.000 0.301 505 H C 2.444 177.733 175.328 -0.066 0.000 1.082 505 H CA 1.192 57.253 56.048 0.021 0.000 1.342 505 H CB -1.131 28.674 29.762 0.071 0.000 1.389 505 H HN 0.325 nan 8.280 nan 0.000 0.511 506 G N 1.426 109.882 108.800 -0.573 0.000 2.469 506 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.219 506 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.219 506 G C 1.912 176.670 174.900 -0.237 0.000 1.150 506 G CA 1.662 46.538 45.100 -0.373 0.000 0.763 506 G HN 0.377 nan 8.290 nan 0.000 0.561 507 V N 1.467 121.270 119.914 -0.186 0.000 2.343 507 V HA -0.154 3.966 4.120 -0.001 0.000 0.247 507 V C 3.318 179.371 176.094 -0.069 0.000 1.051 507 V CA 2.086 64.326 62.300 -0.100 0.000 1.036 507 V CB -0.859 31.018 31.823 0.090 0.000 0.654 507 V HN 0.499 nan 8.190 nan 0.000 0.451 508 A N -0.129 122.567 122.820 -0.208 0.000 1.902 508 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 508 A C 2.423 179.916 177.584 -0.152 0.000 1.181 508 A CA 2.041 53.806 52.037 -0.453 0.000 0.623 508 A CB -0.753 17.675 19.000 -0.954 0.000 0.818 508 A HN 0.563 nan 8.150 nan 0.000 0.443 509 A N -0.061 122.676 122.820 -0.138 0.000 1.877 509 A HA 0.174 4.494 4.320 -0.001 0.000 0.216 509 A C 2.491 180.026 177.584 -0.082 0.000 1.186 509 A CA 2.011 53.995 52.037 -0.088 0.000 0.620 509 A CB -1.081 17.866 19.000 -0.089 0.000 0.822 509 A HN 1.131 nan 8.150 nan 0.000 0.443 510 A N -1.614 121.114 122.820 -0.153 0.000 2.024 510 A HA -0.033 4.287 4.320 -0.001 0.000 0.220 510 A C 1.671 179.123 177.584 -0.220 0.000 1.164 510 A CA 1.453 53.357 52.037 -0.222 0.000 0.643 510 A CB -0.668 18.130 19.000 -0.337 0.000 0.806 510 A HN 0.457 nan 8.150 nan 0.000 0.451 511 F N -1.153 118.792 119.950 -0.008 0.000 2.797 511 F HA 0.335 4.861 4.527 -0.001 0.000 0.302 511 F C 1.910 177.738 175.800 0.046 0.000 1.130 511 F CA 0.328 58.355 58.000 0.044 0.000 1.387 511 F CB 0.033 39.105 39.000 0.120 0.000 1.107 511 F HN 0.372 nan 8.300 nan 0.000 0.577 512 G N -0.143 108.752 108.800 0.159 0.000 2.176 512 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.232 512 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.232 512 G C 0.302 175.260 174.900 0.098 0.000 0.986 512 G CA -0.139 45.026 45.100 0.107 0.000 0.643 512 G HN 0.605 nan 8.290 nan 0.000 0.522 513 A N 0.186 123.069 122.820 0.104 0.000 2.304 513 A HA 0.619 4.939 4.320 -0.001 0.000 0.301 513 A C 0.018 177.610 177.584 0.014 0.000 1.132 513 A CA -0.269 51.825 52.037 0.095 0.000 0.819 513 A CB 0.529 19.617 19.000 0.146 0.000 1.094 513 A HN 0.179 nan 8.150 nan 0.000 0.492 514 D N 1.308 121.726 120.400 0.030 0.000 2.401 514 D HA 0.381 5.020 4.640 -0.001 0.000 0.254 514 D C 0.405 176.641 176.300 -0.107 0.000 1.192 514 D CA 1.037 54.996 54.000 -0.068 0.000 0.885 514 D CB 1.039 41.824 40.800 -0.025 0.000 1.147 514 D HN 0.639 nan 8.370 nan 0.000 0.478 515 G N 1.874 110.554 108.800 -0.201 0.000 2.417 515 G HA2 0.511 4.471 3.960 -0.001 0.000 0.320 515 G HA3 0.511 4.471 3.960 -0.001 0.000 0.320 515 G C -1.206 173.594 174.900 -0.166 0.000 1.204 515 G CA -0.508 44.550 45.100 -0.070 0.000 0.923 515 G HN 0.312 nan 8.290 nan 0.000 0.466 516 Y N 0.101 120.444 120.300 0.071 0.000 2.524 516 Y HA 0.601 5.150 4.550 -0.001 0.000 0.344 516 Y C 0.025 175.854 175.900 -0.119 0.000 1.012 516 Y CA -0.943 57.155 58.100 -0.003 0.000 1.068 516 Y CB 2.782 41.260 38.460 0.030 0.000 1.249 516 Y HN 0.728 nan 8.280 nan 0.000 0.468 517 H N 1.121 120.086 119.070 -0.175 0.000 2.771 517 H HA 0.759 5.314 4.556 -0.001 0.000 0.361 517 H C -1.683 173.582 175.328 -0.106 0.000 1.108 517 H CA -0.808 55.066 56.048 -0.289 0.000 1.201 517 H CB 1.554 30.894 29.762 -0.703 0.000 1.681 517 H HN 0.562 nan 8.280 nan 0.000 0.534 518 V N 1.984 121.605 119.914 -0.488 0.000 3.147 518 V HA 0.506 4.625 4.120 -0.001 0.000 0.306 518 V C -1.016 174.835 176.094 -0.404 0.000 1.209 518 V CA -0.569 61.561 62.300 -0.283 0.000 1.023 518 V CB 2.302 34.062 31.823 -0.105 0.000 1.059 518 V HN 0.996 nan 8.190 nan 0.000 0.435 519 D N -0.383 119.895 120.400 -0.203 0.000 2.615 519 D HA 0.434 5.074 4.640 -0.001 0.000 0.274 519 D C -0.072 176.182 176.300 -0.078 0.000 1.512 519 D CA 0.421 54.322 54.000 -0.166 0.000 0.803 519 D CB 0.469 41.204 40.800 -0.108 0.000 1.182 519 D HN 0.844 nan 8.370 nan 0.000 0.473 520 S N -1.069 114.610 115.700 -0.036 0.000 2.547 520 S HA 0.366 4.836 4.470 -0.001 0.000 0.270 520 S C 0.729 175.366 174.600 0.061 0.000 1.150 520 S CA -0.514 57.693 58.200 0.012 0.000 0.850 520 S CB 1.447 64.656 63.200 0.016 0.000 1.118 520 S HN -0.160 nan 8.310 nan 0.000 0.461 521 V N 3.378 123.322 119.914 0.049 0.000 2.282 521 V HA -0.218 3.901 4.120 -0.001 0.000 0.249 521 V C 2.525 178.643 176.094 0.039 0.000 1.057 521 V CA 2.796 65.127 62.300 0.051 0.000 1.032 521 V CB -0.973 30.833 31.823 -0.028 0.000 0.645 521 V HN 0.958 nan 8.190 nan 0.000 0.447 522 E N 0.989 121.199 120.200 0.016 0.000 2.107 522 E HA -0.174 4.175 4.350 -0.001 0.000 0.191 522 E C 2.168 178.778 176.600 0.017 0.000 0.982 522 E CA 1.504 57.906 56.400 0.003 0.000 0.809 522 E CB -0.494 29.203 29.700 -0.006 0.000 0.756 522 E HN 0.669 nan 8.360 nan 0.000 0.459 523 S N 0.586 116.309 115.700 0.039 0.000 2.383 523 S HA -0.170 4.300 4.470 -0.001 0.000 0.227 523 S C 1.909 176.562 174.600 0.089 0.000 1.026 523 S CA 0.757 58.985 58.200 0.047 0.000 0.981 523 S CB -0.653 62.569 63.200 0.036 0.000 0.818 523 S HN 0.374 nan 8.310 nan 0.000 0.472 524 F N 2.668 122.569 119.950 -0.082 0.000 2.134 524 F HA 0.059 4.585 4.527 -0.001 0.000 0.299 524 F C 2.654 178.391 175.800 -0.104 0.000 1.097 524 F CA 0.780 58.717 58.000 -0.104 0.000 1.264 524 F CB -1.214 37.731 39.000 -0.091 0.000 1.001 524 F HN 0.277 nan 8.300 nan 0.000 0.479 525 S N 0.134 115.750 115.700 -0.140 0.000 2.359 525 S HA -0.231 4.239 4.470 -0.001 0.000 0.223 525 S C 2.368 176.867 174.600 -0.168 0.000 1.039 525 S CA 1.624 59.693 58.200 -0.218 0.000 1.042 525 S CB -0.926 62.207 63.200 -0.112 0.000 0.915 525 S HN 0.540 nan 8.310 nan 0.000 0.439 526 A N 1.133 123.895 122.820 -0.097 0.000 1.908 526 A HA 0.043 4.363 4.320 -0.001 0.000 0.218 526 A C 2.374 179.868 177.584 -0.150 0.000 1.181 526 A CA 2.083 54.069 52.037 -0.085 0.000 0.627 526 A CB -1.257 17.725 19.000 -0.031 0.000 0.818 526 A HN 0.670 nan 8.150 nan 0.000 0.445 527 A N -0.661 122.048 122.820 -0.186 0.000 1.873 527 A HA -0.006 4.314 4.320 -0.001 0.000 0.215 527 A C 2.135 179.394 177.584 -0.542 0.000 1.186 527 A CA 1.733 53.513 52.037 -0.429 0.000 0.616 527 A CB -0.655 18.154 19.000 -0.319 0.000 0.823 527 A HN 0.671 nan 8.150 nan 0.000 0.442 528 L N -0.151 120.830 121.223 -0.403 0.000 2.046 528 L HA -0.054 4.285 4.340 -0.001 0.000 0.208 528 L C 2.683 179.286 176.870 -0.443 0.000 1.077 528 L CA 2.190 56.757 54.840 -0.456 0.000 0.747 528 L CB -0.958 40.709 42.059 -0.655 0.000 0.896 528 L HN 0.359 nan 8.230 nan 0.000 0.432 529 A N -1.096 121.517 122.820 -0.344 0.000 1.883 529 A HA -0.307 4.012 4.320 -0.001 0.000 0.217 529 A C 2.333 179.786 177.584 -0.219 0.000 1.186 529 A CA 1.942 53.853 52.037 -0.211 0.000 0.624 529 A CB -0.744 18.207 19.000 -0.082 0.000 0.822 529 A HN 0.643 nan 8.150 nan 0.000 0.444 530 Q N -0.773 118.886 119.800 -0.235 0.000 2.084 530 Q HA -0.108 4.232 4.340 -0.001 0.000 0.202 530 Q C 2.193 178.008 176.000 -0.309 0.000 0.978 530 Q CA 1.569 57.224 55.803 -0.247 0.000 0.844 530 Q CB -0.334 28.349 28.738 -0.092 0.000 0.898 530 Q HN 0.627 nan 8.270 nan 0.000 0.426 531 A N 0.371 123.056 122.820 -0.225 0.000 1.898 531 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 531 A C 1.894 179.430 177.584 -0.081 0.000 1.181 531 A CA 0.917 52.919 52.037 -0.059 0.000 0.620 531 A CB -0.536 18.430 19.000 -0.057 0.000 0.819 531 A HN 0.413 nan 8.150 nan 0.000 0.442 532 L N -0.570 120.558 121.223 -0.159 0.000 2.191 532 L HA -0.115 4.225 4.340 -0.001 0.000 0.212 532 L C 2.757 179.572 176.870 -0.092 0.000 1.103 532 L CA 1.836 56.605 54.840 -0.119 0.000 0.769 532 L CB -1.440 40.523 42.059 -0.159 0.000 0.908 532 L HN 0.453 nan 8.230 nan 0.000 0.438 533 A N -2.328 120.386 122.820 -0.176 0.000 2.119 533 A HA -0.058 4.261 4.320 -0.001 0.000 0.216 533 A C 0.565 178.101 177.584 -0.079 0.000 1.152 533 A CA 0.339 52.275 52.037 -0.169 0.000 0.708 533 A CB -0.442 18.408 19.000 -0.250 0.000 0.805 533 A HN 0.372 nan 8.150 nan 0.000 0.460 534 H N -0.249 118.846 119.070 0.042 0.000 2.458 534 H HA 0.232 4.787 4.556 -0.001 0.000 0.330 534 H C -0.518 174.842 175.328 0.054 0.000 1.111 534 H CA -1.145 54.936 56.048 0.055 0.000 1.245 534 H CB 0.825 30.635 29.762 0.081 0.000 1.456 534 H HN 0.224 nan 8.280 nan 0.000 0.488 535 N N 3.188 121.999 118.700 0.185 0.000 2.971 535 N HA 0.034 4.773 4.740 -0.001 0.000 0.294 535 N C -0.628 174.953 175.510 0.117 0.000 1.210 535 N CA 0.032 53.153 53.050 0.119 0.000 1.157 535 N CB -0.343 38.196 38.487 0.087 0.000 1.450 535 N HN 0.497 nan 8.380 nan 0.000 0.527 536 R N 0.965 121.552 120.500 0.144 0.000 2.594 536 R HA 0.412 4.752 4.340 -0.001 0.000 0.265 536 R C -2.791 173.606 176.300 0.162 0.000 1.070 536 R CA -1.471 54.713 56.100 0.139 0.000 0.909 536 R CB 2.047 32.431 30.300 0.140 0.000 1.243 536 R HN 0.214 nan 8.270 nan 0.000 0.455 537 P HA 0.340 nan 4.420 nan 0.000 0.274 537 P C -1.485 175.959 177.300 0.240 0.000 1.231 537 P CA -0.273 62.950 63.100 0.206 0.000 0.790 537 P CB 1.668 33.507 31.700 0.233 0.000 0.951 538 A N 1.408 124.395 122.820 0.279 0.000 2.594 538 A HA 0.620 4.939 4.320 -0.001 0.000 0.291 538 A C -1.413 176.379 177.584 0.346 0.000 1.105 538 A CA -0.540 51.681 52.037 0.306 0.000 0.694 538 A CB 1.379 20.602 19.000 0.370 0.000 1.291 538 A HN 0.654 nan 8.150 nan 0.000 0.410 539 C N 1.535 121.011 119.300 0.294 0.000 2.396 539 C HA 0.788 5.248 4.460 -0.001 0.000 0.321 539 C C -1.105 174.073 174.990 0.312 0.000 1.233 539 C CA -0.534 58.648 59.018 0.274 0.000 1.440 539 C CB -0.841 26.916 27.740 0.028 0.000 2.110 539 C HN 0.594 nan 8.230 nan 0.000 0.473 540 I N 6.084 126.795 120.570 0.235 0.000 2.390 540 I HA 0.279 4.449 4.170 -0.001 0.000 0.283 540 I C -0.217 175.939 176.117 0.066 0.000 1.016 540 I CA -0.116 61.289 61.300 0.175 0.000 1.151 540 I CB 0.818 38.892 38.000 0.122 0.000 1.293 540 I HN 0.609 nan 8.210 nan 0.000 0.458 541 N N 6.518 125.274 118.700 0.093 0.000 2.402 541 N HA 0.189 4.929 4.740 -0.001 0.000 0.252 541 N C -0.915 174.483 175.510 -0.187 0.000 1.118 541 N CA -0.099 53.002 53.050 0.084 0.000 0.945 541 N CB 0.967 39.686 38.487 0.386 0.000 1.147 541 N HN 0.265 nan 8.380 nan 0.000 0.495 542 V N 2.731 122.484 119.914 -0.269 0.000 2.333 542 V HA 0.453 4.572 4.120 -0.001 0.000 0.274 542 V C 0.557 176.458 176.094 -0.322 0.000 1.028 542 V CA -1.345 60.686 62.300 -0.448 0.000 0.851 542 V CB 0.629 32.018 31.823 -0.723 0.000 1.000 542 V HN 0.709 nan 8.190 nan 0.000 0.456 543 A N 5.353 127.961 122.820 -0.353 0.000 2.484 543 A HA 0.557 4.876 4.320 -0.001 0.000 0.268 543 A C -0.228 177.246 177.584 -0.183 0.000 1.114 543 A CA 0.120 52.037 52.037 -0.200 0.000 0.780 543 A CB 0.184 19.082 19.000 -0.170 0.000 1.061 543 A HN 0.685 nan 8.150 nan 0.000 0.505 544 V N 2.269 122.097 119.914 -0.144 0.000 2.876 544 V HA 0.633 4.753 4.120 -0.001 0.000 0.312 544 V C 0.664 176.685 176.094 -0.122 0.000 1.085 544 V CA -0.306 61.905 62.300 -0.149 0.000 0.945 544 V CB 1.952 33.671 31.823 -0.173 0.000 1.017 544 V HN 1.262 nan 8.190 nan 0.000 0.428 545 A N 2.881 125.617 122.820 -0.140 0.000 2.483 545 A HA 0.420 4.740 4.320 -0.001 0.000 0.238 545 A C 0.530 178.059 177.584 -0.092 0.000 1.070 545 A CA 0.295 52.263 52.037 -0.115 0.000 0.770 545 A CB 0.304 19.223 19.000 -0.135 0.000 1.008 545 A HN 0.969 nan 8.150 nan 0.000 0.497 546 L N 0.355 121.571 121.223 -0.011 0.000 2.388 546 L HA 0.202 4.541 4.340 -0.001 0.000 0.209 546 L C 1.381 178.385 176.870 0.223 0.000 1.061 546 L CA 1.522 56.411 54.840 0.082 0.000 0.834 546 L CB -0.400 41.715 42.059 0.093 0.000 1.029 546 L HN 0.719 nan 8.230 nan 0.000 0.473 547 D N 0.360 120.836 120.400 0.126 0.000 2.123 547 D HA -0.080 4.559 4.640 -0.001 0.000 0.196 547 D C -1.460 174.910 176.300 0.116 0.000 0.992 547 D CA 0.947 55.005 54.000 0.096 0.000 0.833 547 D CB -1.503 39.319 40.800 0.036 0.000 0.954 547 D HN 0.310 nan 8.370 nan 0.000 0.455 548 P HA 0.041 nan 4.420 nan 0.000 0.265 548 P C -0.329 177.267 177.300 0.493 0.000 1.187 548 P CA 0.394 63.633 63.100 0.231 0.000 0.766 548 P CB 0.481 32.122 31.700 -0.098 0.000 0.820 549 I N 5.393 126.202 120.570 0.399 0.000 2.330 549 I HA 0.279 4.448 4.170 -0.001 0.000 0.289 549 I C -1.980 174.095 176.117 -0.070 0.000 1.001 549 I CA -2.577 58.856 61.300 0.222 0.000 1.193 549 I CB 1.645 39.682 38.000 0.062 0.000 1.345 549 I HN 0.184 nan 8.210 nan 0.000 0.461 550 P HA 0.182 nan 4.420 nan 0.000 0.271 550 P C -2.321 174.608 177.300 -0.618 0.000 1.216 550 P CA -1.477 60.777 63.100 -1.410 0.000 0.776 550 P CB 0.483 31.134 31.700 -1.748 0.000 0.881 551 P HA -0.206 nan 4.420 nan 0.000 0.216 551 P C 1.424 178.559 177.300 -0.275 0.000 1.154 551 P CA 1.638 64.565 63.100 -0.288 0.000 0.865 551 P CB -0.006 31.556 31.700 -0.229 0.000 0.789 552 E N -0.479 119.553 120.200 -0.279 0.000 2.204 552 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 552 E C 1.978 178.480 176.600 -0.164 0.000 0.990 552 E CA 0.884 57.166 56.400 -0.197 0.000 0.821 552 E CB -0.417 29.206 29.700 -0.128 0.000 0.750 552 E HN 0.506 nan 8.360 nan 0.000 0.477 553 E N 0.881 120.960 120.200 -0.201 0.000 2.051 553 E HA -0.141 4.208 4.350 -0.001 0.000 0.192 553 E C 1.954 178.518 176.600 -0.060 0.000 0.991 553 E CA 0.611 56.944 56.400 -0.112 0.000 0.799 553 E CB -0.132 29.510 29.700 -0.096 0.000 0.748 553 E HN 0.181 nan 8.360 nan 0.000 0.449 554 L N 1.360 122.530 121.223 -0.087 0.000 2.651 554 L HA -0.078 4.262 4.340 -0.001 0.000 0.236 554 L C 0.948 177.791 176.870 -0.045 0.000 1.173 554 L CA 0.189 54.993 54.840 -0.060 0.000 0.843 554 L CB -0.477 41.535 42.059 -0.078 0.000 0.964 554 L HN 0.241 nan 8.230 nan 0.000 0.454 555 I N 0.000 120.540 120.570 -0.050 0.000 2.984 555 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 555 I CA 0.000 61.287 61.300 -0.022 0.000 1.566 555 I CB 0.000 37.944 38.000 -0.094 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494