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_D 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 0.000 176.135 176.117 0.031 0.000 1.063 4 I CA 0.000 61.318 61.300 0.031 0.000 1.566 4 I CB 0.000 38.025 38.000 0.041 0.000 1.214 5 T N 0.096 114.675 114.554 0.041 0.000 2.899 5 T HA 0.509 4.859 4.350 0.001 0.000 0.284 5 T C 1.186 175.916 174.700 0.048 0.000 1.004 5 T CA 0.026 62.153 62.100 0.043 0.000 1.043 5 T CB 1.400 70.303 68.868 0.057 0.000 1.013 5 T HN 1.104 nan 8.240 nan 0.000 0.518 6 G N 0.781 109.609 108.800 0.048 0.000 2.469 6 G HA2 -0.072 3.888 3.960 0.001 0.000 0.219 6 G HA3 -0.072 3.888 3.960 0.001 0.000 0.219 6 G C 1.587 176.524 174.900 0.062 0.000 1.150 6 G CA 0.718 45.849 45.100 0.052 0.000 0.763 6 G HN 1.077 nan 8.290 nan 0.000 0.561 7 G N 0.409 109.255 108.800 0.077 0.000 2.469 7 G HA2 -0.218 3.743 3.960 0.001 0.000 0.219 7 G HA3 -0.218 3.743 3.960 0.001 0.000 0.219 7 G C 1.651 176.591 174.900 0.068 0.000 1.150 7 G CA 1.208 46.357 45.100 0.081 0.000 0.763 7 G HN 0.375 nan 8.290 nan 0.000 0.561 8 E N -0.019 120.224 120.200 0.073 0.000 2.058 8 E HA -0.096 4.255 4.350 0.001 0.000 0.194 8 E C 2.696 179.323 176.600 0.044 0.000 0.997 8 E CA 0.580 57.027 56.400 0.077 0.000 0.801 8 E CB -0.391 29.361 29.700 0.087 0.000 0.746 8 E HN 0.237 nan 8.360 nan 0.000 0.450 9 L N 0.569 121.817 121.223 0.041 0.000 2.051 9 L HA -0.204 4.137 4.340 0.001 0.000 0.214 9 L C 2.562 179.443 176.870 0.019 0.000 1.076 9 L CA 1.205 56.063 54.840 0.030 0.000 0.758 9 L CB -1.326 40.757 42.059 0.039 0.000 0.890 9 L HN -0.006 nan 8.230 nan 0.000 0.433 10 V N -1.372 118.558 119.914 0.026 0.000 2.255 10 V HA -0.283 3.838 4.120 0.001 0.000 0.247 10 V C 2.484 178.570 176.094 -0.014 0.000 1.051 10 V CA 1.622 63.932 62.300 0.017 0.000 1.018 10 V CB -0.495 31.344 31.823 0.026 0.000 0.641 10 V HN 0.248 nan 8.190 nan 0.000 0.445 11 V N -0.348 119.550 119.914 -0.027 0.000 2.358 11 V HA -0.208 3.912 4.120 0.001 0.000 0.246 11 V C 2.565 178.572 176.094 -0.145 0.000 1.047 11 V CA 1.875 64.130 62.300 -0.075 0.000 1.035 11 V CB -0.786 31.010 31.823 -0.046 0.000 0.658 11 V HN 0.449 nan 8.190 nan 0.000 0.452 12 R N -0.154 120.260 120.500 -0.144 0.000 2.105 12 R HA -0.147 4.194 4.340 0.001 0.000 0.239 12 R C 2.359 178.597 176.300 -0.104 0.000 1.135 12 R CA 1.969 57.964 56.100 -0.175 0.000 0.967 12 R CB -0.620 29.617 30.300 -0.105 0.000 0.861 12 R HN 0.525 nan 8.270 nan 0.000 0.442 13 T N 1.360 115.881 114.554 -0.055 0.000 2.812 13 T HA -0.026 4.324 4.350 0.001 0.000 0.264 13 T C 1.886 176.566 174.700 -0.034 0.000 1.042 13 T CA 0.805 62.889 62.100 -0.028 0.000 1.140 13 T CB -0.100 68.770 68.868 0.003 0.000 0.870 13 T HN 0.113 nan 8.240 nan 0.000 0.445 14 L N 0.806 122.003 121.223 -0.044 0.000 2.042 14 L HA -0.107 4.234 4.340 0.001 0.000 0.210 14 L C 2.564 179.398 176.870 -0.060 0.000 1.076 14 L CA 1.078 55.890 54.840 -0.046 0.000 0.749 14 L CB -0.728 41.296 42.059 -0.060 0.000 0.893 14 L HN 0.251 nan 8.230 nan 0.000 0.432 15 I N 0.141 120.653 120.570 -0.097 0.000 2.118 15 I HA -0.331 3.839 4.170 0.001 0.000 0.241 15 I C 2.514 178.593 176.117 -0.064 0.000 1.070 15 I CA 1.746 62.984 61.300 -0.103 0.000 1.327 15 I CB -0.917 36.980 38.000 -0.171 0.000 1.034 15 I HN 0.334 nan 8.210 nan 0.000 0.405 16 K N 0.610 120.975 120.400 -0.057 0.000 2.209 16 K HA -0.095 4.225 4.320 0.001 0.000 0.204 16 K C 1.975 178.564 176.600 -0.019 0.000 1.048 16 K CA 1.277 57.544 56.287 -0.033 0.000 0.940 16 K CB -0.071 32.413 32.500 -0.027 0.000 0.729 16 K HN 0.315 nan 8.250 nan 0.000 0.451 17 A N 0.093 122.903 122.820 -0.017 0.000 2.206 17 A HA 0.095 4.415 4.320 0.001 0.000 0.211 17 A C 1.344 178.929 177.584 0.002 0.000 1.158 17 A CA 1.061 53.096 52.037 -0.003 0.000 0.761 17 A CB -0.289 18.714 19.000 0.004 0.000 0.801 17 A HN 0.434 nan 8.150 nan 0.000 0.473 18 G N -1.070 107.726 108.800 -0.006 0.000 2.143 18 G HA2 -0.127 3.833 3.960 0.001 0.000 0.249 18 G HA3 -0.127 3.833 3.960 0.001 0.000 0.249 18 G C 0.470 175.381 174.900 0.019 0.000 0.981 18 G CA 0.595 45.697 45.100 0.004 0.000 0.665 18 G HN 1.823 nan 8.290 nan 0.000 0.528 19 V N -1.752 118.165 119.914 0.005 0.000 2.686 19 V HA 0.754 4.875 4.120 0.001 0.000 0.295 19 V C 0.777 176.848 176.094 -0.037 0.000 1.055 19 V CA 0.953 63.261 62.300 0.014 0.000 1.050 19 V CB 1.556 33.374 31.823 -0.007 0.000 0.984 19 V HN 0.338 nan 8.190 nan 0.000 0.482 20 E N 2.307 122.488 120.200 -0.032 0.000 2.606 20 E HA 0.271 4.622 4.350 0.001 0.000 0.224 20 E C -0.891 175.364 176.600 -0.575 0.000 0.930 20 E CA -0.093 56.185 56.400 -0.202 0.000 1.125 20 E CB 0.651 30.292 29.700 -0.098 0.000 1.123 20 E HN 0.986 nan 8.360 nan 0.000 0.522 21 H N -0.763 118.162 119.070 -0.240 0.000 2.974 21 H HA 0.413 4.970 4.556 0.001 0.000 0.366 21 H C -1.344 173.632 175.328 -0.588 0.000 1.155 21 H CA -0.631 55.130 56.048 -0.479 0.000 1.186 21 H CB 1.439 30.784 29.762 -0.694 0.000 1.799 21 H HN -0.149 nan 8.280 nan 0.000 0.541 22 L N 1.872 122.788 121.223 -0.512 0.000 2.319 22 L HA 0.551 4.891 4.340 0.001 0.000 0.267 22 L C -1.078 175.367 176.870 -0.708 0.000 1.011 22 L CA -0.404 54.159 54.840 -0.462 0.000 0.818 22 L CB 1.013 42.881 42.059 -0.319 0.000 1.316 22 L HN 0.514 nan 8.230 nan 0.000 0.432 23 F N 0.313 120.163 119.950 -0.167 0.000 2.460 23 F HA 0.770 5.297 4.527 0.001 0.000 0.341 23 F C 0.592 176.355 175.800 -0.061 0.000 1.130 23 F CA -0.470 57.467 58.000 -0.106 0.000 0.962 23 F CB 1.890 40.826 39.000 -0.107 0.000 1.171 23 F HN 0.468 nan 8.300 nan 0.000 0.436 24 G N 2.449 111.322 108.800 0.121 0.000 2.749 24 G HA2 0.660 4.621 3.960 0.001 0.000 0.300 24 G HA3 0.660 4.621 3.960 0.001 0.000 0.300 24 G C -2.607 172.420 174.900 0.211 0.000 1.352 24 G CA -0.708 44.481 45.100 0.150 0.000 0.789 24 G HN 0.399 nan 8.290 nan 0.000 0.509 25 L N 0.564 121.927 121.223 0.234 0.000 2.436 25 L HA 0.580 4.921 4.340 0.001 0.000 0.268 25 L C -0.444 176.556 176.870 0.217 0.000 0.974 25 L CA -0.881 54.081 54.840 0.203 0.000 0.826 25 L CB 1.297 43.417 42.059 0.102 0.000 1.291 25 L HN 0.853 nan 8.230 nan 0.000 0.406 26 H N 2.835 121.919 119.070 0.023 0.000 2.771 26 H HA 0.590 5.147 4.556 0.001 0.000 0.364 26 H C -0.094 175.122 175.328 -0.187 0.000 1.133 26 H CA 1.183 57.043 56.048 -0.313 0.000 1.423 26 H CB 1.113 30.468 29.762 -0.678 0.000 1.425 26 H HN 0.831 nan 8.280 nan 0.000 0.606 27 G N 0.989 109.159 108.800 -1.049 0.000 2.703 27 G HA2 0.456 4.417 3.960 0.001 0.000 0.294 27 G HA3 0.456 4.417 3.960 0.001 0.000 0.294 27 G C 0.159 174.609 174.900 -0.749 0.000 1.451 27 G CA -0.232 44.498 45.100 -0.615 0.000 0.869 27 G HN 0.860 nan 8.290 nan 0.000 0.516 28 A N 0.394 122.994 122.820 -0.368 0.000 1.908 28 A HA -0.101 4.220 4.320 0.001 0.000 0.218 28 A C 1.842 179.114 177.584 -0.520 0.000 1.181 28 A CA 2.126 53.981 52.037 -0.302 0.000 0.627 28 A CB -0.985 17.861 19.000 -0.256 0.000 0.818 28 A HN 0.814 nan 8.150 nan 0.000 0.445 29 H N -0.265 118.267 119.070 -0.896 0.000 2.426 29 H HA -0.130 4.427 4.556 0.001 0.000 0.298 29 H C 1.473 176.553 175.328 -0.414 0.000 1.107 29 H CA 1.673 57.047 56.048 -1.124 0.000 1.298 29 H CB -0.200 29.081 29.762 -0.802 0.000 1.377 29 H HN 0.742 nan 8.280 nan 0.000 0.519 30 I N -1.569 118.915 120.570 -0.143 0.000 3.762 30 I HA 0.184 4.355 4.170 0.001 0.000 0.333 30 I C 0.859 177.051 176.117 0.125 0.000 1.566 30 I CA -0.082 61.235 61.300 0.028 0.000 1.129 30 I CB 0.476 38.518 38.000 0.070 0.000 1.218 30 I HN -0.186 nan 8.210 nan 0.000 0.456 31 D N 1.860 122.295 120.400 0.058 0.000 2.224 31 D HA -0.186 4.454 4.640 0.001 0.000 0.205 31 D C 2.288 178.748 176.300 0.267 0.000 0.965 31 D CA 2.022 56.139 54.000 0.194 0.000 0.852 31 D CB 0.334 41.249 40.800 0.191 0.000 0.947 31 D HN 0.522 nan 8.370 nan 0.000 0.494 32 T N -1.570 113.111 114.554 0.212 0.000 2.881 32 T HA -0.132 4.218 4.350 0.001 0.000 0.270 32 T C 2.116 176.918 174.700 0.170 0.000 1.068 32 T CA 0.835 63.042 62.100 0.178 0.000 1.131 32 T CB -0.491 68.467 68.868 0.150 0.000 0.871 32 T HN 0.219 nan 8.240 nan 0.000 0.479 33 I N -0.548 120.131 120.570 0.181 0.000 2.353 33 I HA 0.035 4.206 4.170 0.001 0.000 0.248 33 I C 2.178 178.339 176.117 0.073 0.000 1.119 33 I CA 0.994 62.353 61.300 0.098 0.000 1.417 33 I CB -0.406 37.621 38.000 0.045 0.000 1.078 33 I HN 0.108 nan 8.210 nan 0.000 0.421 34 F N 1.269 121.261 119.950 0.071 0.000 2.102 34 F HA -0.243 4.285 4.527 0.001 0.000 0.298 34 F C 2.790 178.630 175.800 0.065 0.000 1.105 34 F CA 1.416 59.466 58.000 0.083 0.000 1.239 34 F CB -0.590 38.506 39.000 0.161 0.000 0.991 34 F HN 0.053 nan 8.300 nan 0.000 0.474 35 Q N 0.245 120.206 119.800 0.269 0.000 2.030 35 Q HA -0.208 4.132 4.340 0.001 0.000 0.204 35 Q C 2.563 178.628 176.000 0.109 0.000 0.986 35 Q CA 1.721 57.618 55.803 0.157 0.000 0.843 35 Q CB -1.312 27.504 28.738 0.130 0.000 0.904 35 Q HN 0.443 nan 8.270 nan 0.000 0.420 36 A N 0.404 123.293 122.820 0.116 0.000 1.883 36 A HA -0.203 4.117 4.320 0.001 0.000 0.217 36 A C 2.606 180.276 177.584 0.143 0.000 1.186 36 A CA 1.655 53.774 52.037 0.136 0.000 0.624 36 A CB -1.063 18.019 19.000 0.136 0.000 0.822 36 A HN 0.489 nan 8.150 nan 0.000 0.444 37 C N -0.894 118.441 119.300 0.059 0.000 2.425 37 C HA -0.061 4.399 4.460 0.001 0.000 0.277 37 C C 2.509 177.510 174.990 0.017 0.000 1.280 37 C CA 0.922 59.943 59.018 0.005 0.000 1.744 37 C CB -1.339 26.329 27.740 -0.119 0.000 1.989 37 C HN 0.664 nan 8.230 nan 0.000 0.491 38 L N 0.975 122.218 121.223 0.033 0.000 2.042 38 L HA -0.168 4.172 4.340 0.001 0.000 0.210 38 L C 2.080 178.945 176.870 -0.009 0.000 1.076 38 L CA 2.148 57.003 54.840 0.025 0.000 0.749 38 L CB -0.907 41.184 42.059 0.054 0.000 0.893 38 L HN 0.320 nan 8.230 nan 0.000 0.432 39 D N -1.037 119.344 120.400 -0.031 0.000 2.144 39 D HA -0.161 4.480 4.640 0.001 0.000 0.200 39 D C 1.642 177.802 176.300 -0.234 0.000 0.978 39 D CA 1.266 55.181 54.000 -0.142 0.000 0.833 39 D CB -0.042 40.636 40.800 -0.204 0.000 0.961 39 D HN 0.497 nan 8.370 nan 0.000 0.470 40 H N -0.216 118.841 119.070 -0.022 0.000 2.529 40 H HA 0.109 4.665 4.556 0.001 0.000 0.277 40 H C -0.227 175.073 175.328 -0.046 0.000 1.004 40 H CA 0.030 56.059 56.048 -0.032 0.000 1.167 40 H CB 0.483 30.223 29.762 -0.036 0.000 1.445 40 H HN -0.135 nan 8.280 nan 0.000 0.554 41 D N 0.251 120.666 120.400 0.025 0.000 2.870 41 D HA -0.149 4.491 4.640 0.001 0.000 0.228 41 D C -0.781 175.491 176.300 -0.045 0.000 1.147 41 D CA 0.435 54.428 54.000 -0.012 0.000 0.757 41 D CB -1.310 39.482 40.800 -0.013 0.000 1.091 41 D HN 0.140 nan 8.370 nan 0.000 0.429 42 V N 1.881 121.764 119.914 -0.051 0.000 2.348 42 V HA 0.275 4.395 4.120 0.001 0.000 0.270 42 V C -1.567 174.432 176.094 -0.160 0.000 1.037 42 V CA -1.154 61.068 62.300 -0.129 0.000 0.872 42 V CB 1.410 33.159 31.823 -0.123 0.000 1.002 42 V HN -0.025 nan 8.190 nan 0.000 0.464 43 P HA 0.263 nan 4.420 nan 0.000 0.271 43 P C -0.620 176.536 177.300 -0.239 0.000 1.216 43 P CA 0.087 63.087 63.100 -0.167 0.000 0.771 43 P CB 0.984 32.610 31.700 -0.123 0.000 0.864 44 I N 4.024 124.461 120.570 -0.221 0.000 2.362 44 I HA 0.254 4.425 4.170 0.001 0.000 0.289 44 I C 0.472 176.477 176.117 -0.188 0.000 0.994 44 I CA -0.949 60.173 61.300 -0.297 0.000 1.158 44 I CB 1.306 39.051 38.000 -0.424 0.000 1.315 44 I HN 0.090 nan 8.210 nan 0.000 0.451 45 I N 6.431 126.832 120.570 -0.283 0.000 2.294 45 I HA 0.073 4.244 4.170 0.001 0.000 0.295 45 I C 0.230 176.372 176.117 0.043 0.000 1.098 45 I CA -0.200 61.032 61.300 -0.112 0.000 1.277 45 I CB -0.131 37.782 38.000 -0.144 0.000 1.434 45 I HN 0.593 nan 8.210 nan 0.000 0.498 46 D N 5.087 125.540 120.400 0.087 0.000 2.264 46 D HA 0.263 4.904 4.640 0.001 0.000 0.250 46 D C 0.297 176.659 176.300 0.104 0.000 1.113 46 D CA -0.289 53.796 54.000 0.141 0.000 0.871 46 D CB 1.938 42.856 40.800 0.196 0.000 1.167 46 D HN 0.461 nan 8.370 nan 0.000 0.447 47 T N 0.035 114.650 114.554 0.102 0.000 2.864 47 T HA 0.393 4.744 4.350 0.001 0.000 0.276 47 T C 0.996 175.712 174.700 0.027 0.000 1.006 47 T CA -0.881 61.250 62.100 0.052 0.000 0.970 47 T CB 1.413 70.317 68.868 0.060 0.000 1.420 47 T HN 0.222 nan 8.240 nan 0.000 0.601 48 R N -0.149 120.348 120.500 -0.004 0.000 2.397 48 R HA 0.301 4.641 4.340 0.001 0.000 0.241 48 R C -0.061 176.272 176.300 0.055 0.000 0.914 48 R CA 0.033 56.129 56.100 -0.006 0.000 1.071 48 R CB -0.435 29.822 30.300 -0.072 0.000 1.116 48 R HN 0.739 nan 8.270 nan 0.000 0.524 49 H N -0.371 118.681 119.070 -0.029 0.000 3.123 49 H HA 0.157 4.713 4.556 0.001 0.000 0.346 49 H C -0.036 175.288 175.328 -0.008 0.000 1.138 49 H CA -0.298 55.741 56.048 -0.015 0.000 1.273 49 H CB 1.641 31.394 29.762 -0.015 0.000 1.926 49 H HN -0.236 nan 8.280 nan 0.000 0.524 50 E N 2.910 123.277 120.200 0.278 0.000 2.110 50 E HA -0.087 4.263 4.350 0.001 0.000 0.193 50 E C 1.970 178.653 176.600 0.138 0.000 0.988 50 E CA 1.706 58.213 56.400 0.179 0.000 0.804 50 E CB 0.119 29.874 29.700 0.092 0.000 0.745 50 E HN 0.634 nan 8.360 nan 0.000 0.458 51 A N 1.122 124.056 122.820 0.190 0.000 1.892 51 A HA -0.210 4.110 4.320 0.001 0.000 0.218 51 A C 2.403 179.881 177.584 -0.177 0.000 1.188 51 A CA 2.170 54.102 52.037 -0.176 0.000 0.631 51 A CB -1.048 17.737 19.000 -0.358 0.000 0.822 51 A HN 0.317 nan 8.150 nan 0.000 0.447 52 A N -0.291 122.505 122.820 -0.042 0.000 1.902 52 A HA 0.134 4.454 4.320 0.001 0.000 0.217 52 A C 2.541 180.132 177.584 0.012 0.000 1.181 52 A CA 2.300 54.346 52.037 0.014 0.000 0.623 52 A CB -1.138 17.840 19.000 -0.036 0.000 0.818 52 A HN 1.177 nan 8.150 nan 0.000 0.443 53 A N -0.448 122.399 122.820 0.043 0.000 1.892 53 A HA 0.024 4.344 4.320 0.001 0.000 0.218 53 A C 2.452 180.044 177.584 0.014 0.000 1.188 53 A CA 2.212 54.295 52.037 0.078 0.000 0.631 53 A CB -1.496 17.582 19.000 0.130 0.000 0.822 53 A HN 0.790 nan 8.150 nan 0.000 0.447 54 G N -1.585 107.216 108.800 0.002 0.000 2.418 54 G HA2 -0.235 3.725 3.960 0.001 0.000 0.217 54 G HA3 -0.235 3.725 3.960 0.001 0.000 0.217 54 G C 1.452 176.325 174.900 -0.045 0.000 1.158 54 G CA 1.073 46.206 45.100 0.056 0.000 0.771 54 G HN 0.672 nan 8.290 nan 0.000 0.545 55 H N 0.722 119.792 119.070 0.001 0.000 2.457 55 H HA 0.111 4.667 4.556 0.001 0.000 0.294 55 H C 2.817 178.041 175.328 -0.173 0.000 1.064 55 H CA 0.936 56.948 56.048 -0.060 0.000 1.330 55 H CB -0.358 29.369 29.762 -0.060 0.000 1.395 55 H HN 0.403 nan 8.280 nan 0.000 0.541 56 A N 1.165 123.879 122.820 -0.178 0.000 1.897 56 A HA -0.009 4.312 4.320 0.001 0.000 0.215 56 A C 2.713 179.807 177.584 -0.817 0.000 1.181 56 A CA 1.448 53.166 52.037 -0.532 0.000 0.620 56 A CB -0.773 17.812 19.000 -0.691 0.000 0.821 56 A HN 0.399 nan 8.150 nan 0.000 0.443 57 A N 0.062 122.495 122.820 -0.645 0.000 1.917 57 A HA -0.237 4.084 4.320 0.001 0.000 0.219 57 A C 1.901 179.378 177.584 -0.179 0.000 1.182 57 A CA 1.861 53.674 52.037 -0.374 0.000 0.633 57 A CB -0.600 18.249 19.000 -0.252 0.000 0.819 57 A HN 0.663 nan 8.150 nan 0.000 0.448 58 E N -0.854 119.270 120.200 -0.126 0.000 2.051 58 E HA -0.121 4.230 4.350 0.001 0.000 0.192 58 E C 2.218 178.784 176.600 -0.056 0.000 0.991 58 E CA 0.830 57.208 56.400 -0.036 0.000 0.799 58 E CB -0.434 29.291 29.700 0.041 0.000 0.748 58 E HN 0.611 nan 8.360 nan 0.000 0.449 59 G N 0.514 109.250 108.800 -0.106 0.000 2.446 59 G HA2 -0.317 3.644 3.960 0.001 0.000 0.217 59 G HA3 -0.317 3.644 3.960 0.001 0.000 0.217 59 G C 1.414 176.269 174.900 -0.075 0.000 1.168 59 G CA 0.943 45.976 45.100 -0.112 0.000 0.771 59 G HN 0.275 nan 8.290 nan 0.000 0.551 60 Y N 1.918 122.077 120.300 -0.235 0.000 2.128 60 Y HA -0.057 4.493 4.550 0.001 0.000 0.284 60 Y C 2.962 178.829 175.900 -0.056 0.000 1.154 60 Y CA 1.756 59.785 58.100 -0.119 0.000 1.149 60 Y CB -0.255 38.171 38.460 -0.058 0.000 0.976 60 Y HN 0.258 nan 8.280 nan 0.000 0.505 61 A N 0.365 123.249 122.820 0.107 0.000 1.873 61 A HA -0.169 4.152 4.320 0.001 0.000 0.215 61 A C 2.247 179.806 177.584 -0.041 0.000 1.186 61 A CA 1.799 53.860 52.037 0.039 0.000 0.616 61 A CB -0.587 18.448 19.000 0.059 0.000 0.823 61 A HN 0.522 nan 8.150 nan 0.000 0.442 62 R N -0.785 119.686 120.500 -0.049 0.000 2.115 62 R HA 0.037 4.377 4.340 0.001 0.000 0.230 62 R C 2.133 178.386 176.300 -0.078 0.000 1.111 62 R CA 1.118 57.181 56.100 -0.061 0.000 0.976 62 R CB -0.241 30.015 30.300 -0.073 0.000 0.870 62 R HN 0.506 nan 8.270 nan 0.000 0.445 63 A N -0.352 122.406 122.820 -0.103 0.000 2.115 63 A HA 0.163 4.483 4.320 0.001 0.000 0.211 63 A C 1.920 179.422 177.584 -0.137 0.000 1.169 63 A CA 0.771 52.744 52.037 -0.106 0.000 0.787 63 A CB 0.176 19.112 19.000 -0.106 0.000 0.858 63 A HN 0.383 nan 8.150 nan 0.000 0.474 64 G N -1.782 106.895 108.800 -0.205 0.000 2.986 64 G HA2 0.390 4.351 3.960 0.001 0.000 0.213 64 G HA3 0.390 4.351 3.960 0.001 0.000 0.213 64 G C 0.808 175.620 174.900 -0.147 0.000 1.156 64 G CA 0.573 45.533 45.100 -0.234 0.000 0.763 64 G HN 1.467 nan 8.290 nan 0.000 0.547 65 A N -0.335 122.422 122.820 -0.104 0.000 2.610 65 A HA -0.157 4.164 4.320 0.001 0.000 0.299 65 A C 0.526 178.083 177.584 -0.046 0.000 1.487 65 A CA 1.422 53.423 52.037 -0.060 0.000 0.743 65 A CB -1.832 17.140 19.000 -0.046 0.000 1.070 65 A HN 0.425 nan 8.150 nan 0.000 0.439 66 K N -1.458 118.919 120.400 -0.038 0.000 2.378 66 K HA 0.716 5.036 4.320 0.001 0.000 0.244 66 K C -0.229 176.414 176.600 0.072 0.000 1.039 66 K CA -1.125 55.171 56.287 0.015 0.000 0.863 66 K CB 1.347 33.850 32.500 0.005 0.000 1.326 66 K HN 0.462 nan 8.250 nan 0.000 0.460 67 L N 0.800 122.088 121.223 0.108 0.000 2.426 67 L HA 0.308 4.649 4.340 0.001 0.000 0.271 67 L C -0.055 176.938 176.870 0.206 0.000 1.169 67 L CA 0.691 55.600 54.840 0.115 0.000 0.836 67 L CB 0.760 42.871 42.059 0.087 0.000 1.112 67 L HN 0.679 nan 8.230 nan 0.000 0.465 68 G N 4.246 113.130 108.800 0.139 0.000 2.415 68 G HA2 0.595 4.555 3.960 0.001 0.000 0.327 68 G HA3 0.595 4.555 3.960 0.001 0.000 0.327 68 G C -1.587 173.298 174.900 -0.025 0.000 1.182 68 G CA -0.481 44.697 45.100 0.131 0.000 0.924 68 G HN 0.554 nan 8.290 nan 0.000 0.470 69 V N 1.409 121.304 119.914 -0.031 0.000 2.407 69 V HA 0.698 4.818 4.120 0.001 0.000 0.291 69 V C 0.391 176.437 176.094 -0.079 0.000 1.018 69 V CA -0.763 61.483 62.300 -0.090 0.000 0.842 69 V CB 1.049 32.828 31.823 -0.073 0.000 0.996 69 V HN 1.083 nan 8.190 nan 0.000 0.426 70 A N 5.486 128.188 122.820 -0.196 0.000 2.325 70 A HA 0.924 5.245 4.320 0.001 0.000 0.333 70 A C -0.870 176.713 177.584 -0.001 0.000 1.155 70 A CA -0.621 51.354 52.037 -0.103 0.000 0.814 70 A CB 1.355 20.208 19.000 -0.245 0.000 1.206 70 A HN 0.819 nan 8.150 nan 0.000 0.482 71 L N 3.227 124.482 121.223 0.053 0.000 2.491 71 L HA 0.611 4.951 4.340 0.001 0.000 0.267 71 L C -1.238 175.699 176.870 0.112 0.000 0.971 71 L CA -0.655 54.220 54.840 0.057 0.000 0.857 71 L CB 1.548 43.588 42.059 -0.032 0.000 1.226 71 L HN 0.760 nan 8.230 nan 0.000 0.408 72 V N 0.503 120.490 119.914 0.121 0.000 2.962 72 V HA 0.632 4.752 4.120 0.001 0.000 0.313 72 V C -0.133 175.994 176.094 0.054 0.000 1.099 72 V CA -0.529 61.833 62.300 0.105 0.000 0.971 72 V CB 1.810 33.705 31.823 0.120 0.000 1.028 72 V HN 0.675 nan 8.190 nan 0.000 0.430 73 T N 1.620 116.169 114.554 -0.008 0.000 2.770 73 T HA 0.686 5.036 4.350 0.001 0.000 0.281 73 T C 0.612 175.225 174.700 -0.145 0.000 0.981 73 T CA 0.425 62.462 62.100 -0.106 0.000 0.955 73 T CB 1.054 69.817 68.868 -0.176 0.000 1.060 73 T HN 1.710 nan 8.240 nan 0.000 0.531 74 A N 0.494 123.109 122.820 -0.342 0.000 2.429 74 A HA 0.546 4.867 4.320 0.001 0.000 0.242 74 A C 1.482 178.920 177.584 -0.244 0.000 1.088 74 A CA 0.426 52.248 52.037 -0.358 0.000 0.784 74 A CB -1.183 17.422 19.000 -0.658 0.000 1.038 74 A HN 1.807 nan 8.150 nan 0.000 0.501 75 G N 0.784 109.504 108.800 -0.132 0.000 2.601 75 G HA2 -0.162 3.799 3.960 0.001 0.000 0.306 75 G HA3 -0.162 3.799 3.960 0.001 0.000 0.306 75 G C 1.529 176.438 174.900 0.015 0.000 1.172 75 G CA 1.242 46.308 45.100 -0.058 0.000 0.966 75 G HN 1.997 nan 8.290 nan 0.000 0.542 76 G N 0.698 109.476 108.800 -0.037 0.000 2.432 76 G HA2 0.238 4.199 3.960 0.001 0.000 0.219 76 G HA3 0.238 4.199 3.960 0.001 0.000 0.219 76 G C 1.899 176.775 174.900 -0.040 0.000 1.135 76 G CA 2.055 47.133 45.100 -0.037 0.000 0.767 76 G HN 1.752 nan 8.290 nan 0.000 0.550 77 G N 0.739 109.514 108.800 -0.041 0.000 2.446 77 G HA2 -0.258 3.703 3.960 0.001 0.000 0.217 77 G HA3 -0.258 3.703 3.960 0.001 0.000 0.217 77 G C 1.611 176.525 174.900 0.024 0.000 1.168 77 G CA 1.073 46.161 45.100 -0.020 0.000 0.771 77 G HN 0.405 nan 8.290 nan 0.000 0.551 78 F N 2.663 122.563 119.950 -0.082 0.000 2.113 78 F HA -0.110 4.418 4.527 0.001 0.000 0.297 78 F C 3.001 178.752 175.800 -0.081 0.000 1.103 78 F CA 2.415 60.368 58.000 -0.079 0.000 1.248 78 F CB -0.735 38.206 39.000 -0.097 0.000 0.999 78 F HN 0.216 nan 8.300 nan 0.000 0.475 79 T N -1.544 112.885 114.554 -0.209 0.000 2.833 79 T HA -0.167 4.184 4.350 0.001 0.000 0.269 79 T C 1.652 176.178 174.700 -0.290 0.000 1.054 79 T CA 1.415 63.312 62.100 -0.339 0.000 1.135 79 T CB -0.720 68.099 68.868 -0.082 0.000 0.869 79 T HN 0.277 nan 8.240 nan 0.000 0.466 80 N N 1.978 120.581 118.700 -0.161 0.000 2.512 80 N HA 0.173 4.914 4.740 0.001 0.000 0.183 80 N C 1.782 177.228 175.510 -0.108 0.000 1.073 80 N CA 0.986 54.012 53.050 -0.039 0.000 0.911 80 N CB -0.375 38.146 38.487 0.056 0.000 0.964 80 N HN 0.679 nan 8.380 nan 0.000 0.447 81 A N -0.041 122.622 122.820 -0.261 0.000 2.218 81 A HA 0.122 4.442 4.320 0.001 0.000 0.209 81 A C 2.159 179.460 177.584 -0.472 0.000 1.168 81 A CA 0.089 51.948 52.037 -0.297 0.000 0.804 81 A CB -0.057 18.806 19.000 -0.228 0.000 0.834 81 A HN 0.046 nan 8.150 nan 0.000 0.482 82 V N -0.316 119.295 119.914 -0.506 0.000 2.427 82 V HA -0.192 3.928 4.120 0.001 0.000 0.248 82 V C 2.721 178.635 176.094 -0.301 0.000 1.051 82 V CA 2.510 64.517 62.300 -0.488 0.000 1.048 82 V CB -0.882 30.674 31.823 -0.446 0.000 0.666 82 V HN 0.590 nan 8.190 nan 0.000 0.456 83 T N 0.382 114.811 114.554 -0.208 0.000 2.708 83 T HA -0.102 4.249 4.350 0.001 0.000 0.266 83 T C -0.071 174.605 174.700 -0.041 0.000 1.037 83 T CA 1.911 63.958 62.100 -0.089 0.000 1.146 83 T CB -1.222 67.636 68.868 -0.016 0.000 0.865 83 T HN 0.436 nan 8.240 nan 0.000 0.435 84 P HA -0.029 nan 4.420 nan 0.000 0.216 84 P C 1.467 178.773 177.300 0.010 0.000 1.153 84 P CA 1.018 64.048 63.100 -0.117 0.000 0.858 84 P CB -0.245 31.299 31.700 -0.260 0.000 0.789 85 I N -0.691 119.661 120.570 -0.364 0.000 2.179 85 I HA -0.266 3.904 4.170 0.001 0.000 0.242 85 I C 2.375 178.476 176.117 -0.028 0.000 1.088 85 I CA 1.650 62.688 61.300 -0.436 0.000 1.357 85 I CB -0.904 36.674 38.000 -0.703 0.000 1.051 85 I HN -0.077 nan 8.210 nan 0.000 0.409 86 A N 0.579 123.383 122.820 -0.026 0.000 1.902 86 A HA -0.252 4.068 4.320 0.001 0.000 0.217 86 A C 2.186 179.894 177.584 0.207 0.000 1.181 86 A CA 1.996 54.098 52.037 0.109 0.000 0.623 86 A CB -0.995 18.034 19.000 0.048 0.000 0.818 86 A HN 0.509 nan 8.150 nan 0.000 0.443 87 N N 0.104 118.896 118.700 0.154 0.000 2.043 87 N HA -0.184 4.557 4.740 0.001 0.000 0.193 87 N C 2.015 177.617 175.510 0.153 0.000 1.037 87 N CA 1.461 54.600 53.050 0.148 0.000 0.851 87 N CB -0.212 38.376 38.487 0.168 0.000 1.027 87 N HN 0.394 nan 8.380 nan 0.000 0.422 88 A N 1.737 124.681 122.820 0.207 0.000 1.917 88 A HA -0.209 4.112 4.320 0.001 0.000 0.219 88 A C 2.021 179.737 177.584 0.219 0.000 1.182 88 A CA 1.373 53.539 52.037 0.215 0.000 0.633 88 A CB -1.409 17.785 19.000 0.324 0.000 0.819 88 A HN 0.770 nan 8.150 nan 0.000 0.448 89 W N 0.094 121.441 121.300 0.078 0.000 2.333 89 W HA -0.194 4.466 4.660 0.001 0.000 0.316 89 W C 1.335 177.890 176.519 0.060 0.000 1.215 89 W CA 1.635 59.022 57.345 0.070 0.000 1.278 89 W CB -0.324 29.169 29.460 0.056 0.000 1.154 89 W HN 0.279 nan 8.180 nan 0.000 0.486 90 L N 1.234 122.437 121.223 -0.033 0.000 2.291 90 L HA -0.122 4.219 4.340 0.001 0.000 0.214 90 L C 1.467 178.208 176.870 -0.214 0.000 1.120 90 L CA 1.793 56.550 54.840 -0.139 0.000 0.799 90 L CB -1.398 40.708 42.059 0.077 0.000 0.925 90 L HN -0.115 nan 8.230 nan 0.000 0.446 91 D N -0.739 119.582 120.400 -0.131 0.000 2.339 91 D HA 0.067 4.708 4.640 0.001 0.000 0.217 91 D C 0.586 176.806 176.300 -0.132 0.000 1.050 91 D CA -0.009 53.896 54.000 -0.158 0.000 0.856 91 D CB 0.153 40.905 40.800 -0.080 0.000 0.922 91 D HN -0.003 nan 8.370 nan 0.000 0.518 92 R N 0.027 120.457 120.500 -0.116 0.000 3.267 92 R HA -0.153 4.188 4.340 0.001 0.000 0.254 92 R C -0.350 175.936 176.300 -0.022 0.000 0.993 92 R CA 0.950 57.003 56.100 -0.080 0.000 0.670 92 R CB -2.328 27.904 30.300 -0.113 0.000 1.125 92 R HN 0.181 nan 8.270 nan 0.000 0.434 93 T N -0.645 113.924 114.554 0.025 0.000 2.779 93 T HA 0.583 4.933 4.350 0.001 0.000 0.280 93 T C -2.620 172.128 174.700 0.080 0.000 0.987 93 T CA -2.345 59.779 62.100 0.039 0.000 0.966 93 T CB 1.629 70.512 68.868 0.025 0.000 0.933 93 T HN -0.058 nan 8.240 nan 0.000 0.442 94 P HA 0.369 nan 4.420 nan 0.000 0.274 94 P C -0.984 176.348 177.300 0.054 0.000 1.470 94 P CA -0.339 62.806 63.100 0.074 0.000 1.001 94 P CB 0.545 32.278 31.700 0.056 0.000 1.332 95 V N 5.271 125.219 119.914 0.056 0.000 2.588 95 V HA 0.278 4.398 4.120 0.001 0.000 0.304 95 V C 0.283 176.337 176.094 -0.066 0.000 1.042 95 V CA -0.885 61.356 62.300 -0.099 0.000 0.877 95 V CB 2.730 34.347 31.823 -0.342 0.000 0.996 95 V HN 0.425 nan 8.190 nan 0.000 0.425 96 L N 5.137 126.297 121.223 -0.105 0.000 2.261 96 L HA 0.505 4.845 4.340 0.001 0.000 0.289 96 L C -1.180 175.619 176.870 -0.119 0.000 1.059 96 L CA -0.174 54.659 54.840 -0.012 0.000 0.816 96 L CB 0.378 42.447 42.059 0.017 0.000 1.191 96 L HN 0.546 nan 8.230 nan 0.000 0.431 97 F N 5.643 125.635 119.950 0.070 0.000 2.371 97 F HA 0.334 4.862 4.527 0.001 0.000 0.363 97 F C 0.141 175.974 175.800 0.054 0.000 1.122 97 F CA -0.342 57.696 58.000 0.062 0.000 1.129 97 F CB 0.939 39.980 39.000 0.069 0.000 1.173 97 F HN 0.261 nan 8.300 nan 0.000 0.489 98 L N 3.624 124.951 121.223 0.172 0.000 2.264 98 L HA 0.458 4.799 4.340 0.001 0.000 0.289 98 L C 0.232 177.178 176.870 0.126 0.000 1.044 98 L CA -0.285 54.624 54.840 0.115 0.000 0.807 98 L CB 1.523 43.616 42.059 0.058 0.000 1.192 98 L HN 0.513 nan 8.230 nan 0.000 0.425 99 T N 2.151 116.764 114.554 0.098 0.000 2.863 99 T HA 0.611 4.961 4.350 0.001 0.000 0.285 99 T C 0.245 174.954 174.700 0.016 0.000 1.009 99 T CA -0.388 61.759 62.100 0.079 0.000 0.989 99 T CB 1.490 70.429 68.868 0.118 0.000 1.004 99 T HN 0.681 nan 8.240 nan 0.000 0.455 100 G N 2.138 110.938 108.800 -0.001 0.000 2.606 100 G HA2 0.525 4.486 3.960 0.001 0.000 0.252 100 G HA3 0.525 4.486 3.960 0.001 0.000 0.252 100 G C -0.201 174.649 174.900 -0.083 0.000 1.206 100 G CA 0.100 45.183 45.100 -0.029 0.000 0.861 100 G HN 1.193 nan 8.290 nan 0.000 0.561 101 S N -1.294 114.377 115.700 -0.047 0.000 2.643 101 S HA 0.707 5.177 4.470 0.001 0.000 0.270 101 S C 0.087 174.729 174.600 0.070 0.000 1.166 101 S CA -0.189 57.967 58.200 -0.073 0.000 0.815 101 S CB 0.983 64.119 63.200 -0.106 0.000 1.139 101 S HN 1.471 nan 8.310 nan 0.000 0.472 102 G N 0.402 109.240 108.800 0.063 0.000 2.491 102 G HA2 0.502 4.463 3.960 0.001 0.000 0.238 102 G HA3 0.502 4.463 3.960 0.001 0.000 0.238 102 G C 0.513 175.534 174.900 0.202 0.000 1.277 102 G CA -0.166 45.050 45.100 0.193 0.000 0.851 102 G HN 1.426 nan 8.290 nan 0.000 0.573 103 A N 1.450 124.433 122.820 0.272 0.000 2.561 103 A HA 0.215 4.535 4.320 0.001 0.000 0.234 103 A C 1.563 179.188 177.584 0.068 0.000 1.055 103 A CA -0.154 51.974 52.037 0.153 0.000 0.756 103 A CB 0.164 19.208 19.000 0.074 0.000 0.986 103 A HN 0.724 nan 8.150 nan 0.000 0.505 104 L N 2.054 123.297 121.223 0.033 0.000 2.072 104 L HA -0.068 4.273 4.340 0.001 0.000 0.205 104 L C 1.859 178.727 176.870 -0.003 0.000 1.079 104 L CA 1.115 55.959 54.840 0.008 0.000 0.752 104 L CB -0.556 41.501 42.059 -0.004 0.000 0.906 104 L HN 0.915 nan 8.230 nan 0.000 0.436 105 R N 1.306 121.797 120.500 -0.015 0.000 2.811 105 R HA -0.068 4.273 4.340 0.001 0.000 0.265 105 R C 0.269 176.561 176.300 -0.013 0.000 1.026 105 R CA 0.345 56.431 56.100 -0.024 0.000 1.142 105 R CB -0.376 29.897 30.300 -0.045 0.000 1.027 105 R HN 0.368 nan 8.270 nan 0.000 0.465 106 D N -1.770 118.622 120.400 -0.012 0.000 2.782 106 D HA -0.298 4.342 4.640 0.001 0.000 0.231 106 D C -0.689 175.621 176.300 0.016 0.000 1.163 106 D CA 1.611 55.611 54.000 0.001 0.000 0.680 106 D CB -1.402 39.398 40.800 -0.001 0.000 1.062 106 D HN 0.832 nan 8.370 nan 0.000 0.425 107 D N -0.155 120.251 120.400 0.010 0.000 2.472 107 D HA 0.251 4.891 4.640 0.001 0.000 0.237 107 D C 0.603 176.906 176.300 0.005 0.000 1.141 107 D CA 0.811 54.816 54.000 0.008 0.000 0.875 107 D CB 0.506 41.305 40.800 -0.003 0.000 1.192 107 D HN 0.319 nan 8.370 nan 0.000 0.450 108 E N 1.241 121.443 120.200 0.004 0.000 2.553 108 E HA -0.193 4.158 4.350 0.001 0.000 0.264 108 E C -0.055 176.548 176.600 0.005 0.000 1.068 108 E CA 1.286 57.686 56.400 0.001 0.000 0.774 108 E CB -1.707 27.991 29.700 -0.004 0.000 1.349 108 E HN 0.522 nan 8.360 nan 0.000 0.404 109 T N -2.894 111.667 114.554 0.012 0.000 3.174 109 T HA 0.226 4.576 4.350 0.001 0.000 0.269 109 T C 0.547 175.257 174.700 0.018 0.000 1.017 109 T CA 0.102 62.211 62.100 0.014 0.000 0.899 109 T CB 0.101 68.979 68.868 0.017 0.000 1.077 109 T HN 0.167 nan 8.240 nan 0.000 0.552 110 N N 1.177 119.886 118.700 0.016 0.000 2.721 110 N HA -0.132 4.608 4.740 0.001 0.000 0.249 110 N C -0.038 175.488 175.510 0.026 0.000 1.072 110 N CA 1.278 54.337 53.050 0.016 0.000 0.710 110 N CB -1.687 36.807 38.487 0.012 0.000 0.993 110 N HN 0.642 nan 8.380 nan 0.000 0.547 111 T N -0.362 114.216 114.554 0.039 0.000 2.884 111 T HA 0.517 4.868 4.350 0.001 0.000 0.277 111 T C 0.324 175.065 174.700 0.068 0.000 0.976 111 T CA -0.767 61.369 62.100 0.060 0.000 0.956 111 T CB 0.893 69.811 68.868 0.085 0.000 1.113 111 T HN 0.203 nan 8.240 nan 0.000 0.554 112 L N 2.778 124.056 121.223 0.093 0.000 2.559 112 L HA 0.154 4.494 4.340 0.001 0.000 0.274 112 L C 0.952 177.869 176.870 0.077 0.000 1.205 112 L CA 1.046 55.937 54.840 0.085 0.000 0.907 112 L CB -0.363 41.761 42.059 0.109 0.000 1.153 112 L HN 0.935 nan 8.230 nan 0.000 0.490 113 Q N 1.439 121.240 119.800 0.001 0.000 2.348 113 Q HA -0.276 4.065 4.340 0.001 0.000 0.221 113 Q C 0.141 176.091 176.000 -0.083 0.000 0.735 113 Q CA 1.010 56.760 55.803 -0.088 0.000 1.351 113 Q CB -1.861 26.727 28.738 -0.250 0.000 1.640 113 Q HN 0.868 nan 8.270 nan 0.000 0.667 114 A N -0.635 122.178 122.820 -0.011 0.000 2.263 114 A HA 0.769 5.090 4.320 0.001 0.000 0.318 114 A C 1.312 178.885 177.584 -0.019 0.000 1.111 114 A CA 0.422 52.456 52.037 -0.005 0.000 0.901 114 A CB 0.814 19.842 19.000 0.047 0.000 1.280 114 A HN 0.887 nan 8.150 nan 0.000 0.503 115 G N -1.386 107.399 108.800 -0.026 0.000 2.143 115 G HA2 -0.152 3.808 3.960 0.001 0.000 0.249 115 G HA3 -0.152 3.808 3.960 0.001 0.000 0.249 115 G C 0.124 175.002 174.900 -0.036 0.000 0.981 115 G CA 0.424 45.508 45.100 -0.026 0.000 0.665 115 G HN 1.835 nan 8.290 nan 0.000 0.528 116 I N -2.292 118.246 120.570 -0.053 0.000 2.404 116 I HA 0.640 4.810 4.170 0.001 0.000 0.293 116 I C -0.725 175.328 176.117 -0.106 0.000 0.992 116 I CA -1.100 60.167 61.300 -0.055 0.000 1.149 116 I CB 1.902 39.889 38.000 -0.022 0.000 1.315 116 I HN -0.101 nan 8.210 nan 0.000 0.446 117 D N 5.637 125.977 120.400 -0.099 0.000 2.416 117 D HA 0.073 4.713 4.640 0.001 0.000 0.240 117 D C 0.843 177.019 176.300 -0.207 0.000 1.250 117 D CA 0.271 54.188 54.000 -0.138 0.000 0.967 117 D CB 0.917 41.660 40.800 -0.095 0.000 1.059 117 D HN 0.667 nan 8.370 nan 0.000 0.512 118 Q N 1.513 121.089 119.800 -0.373 0.000 2.123 118 Q HA -0.078 4.262 4.340 0.001 0.000 0.199 118 Q C 2.074 177.717 176.000 -0.594 0.000 0.966 118 Q CA 0.811 56.141 55.803 -0.789 0.000 0.845 118 Q CB 0.278 28.207 28.738 -1.348 0.000 0.907 118 Q HN 0.355 nan 8.270 nan 0.000 0.439 119 V N 1.614 121.287 119.914 -0.401 0.000 2.287 119 V HA -0.239 3.881 4.120 0.001 0.000 0.248 119 V C 1.428 177.417 176.094 -0.175 0.000 1.053 119 V CA 1.281 63.415 62.300 -0.277 0.000 1.027 119 V CB -1.020 30.642 31.823 -0.268 0.000 0.646 119 V HN 0.385 nan 8.190 nan 0.000 0.447 123 A N 1.319 124.063 122.820 -0.127 0.000 1.917 123 A HA 0.010 4.330 4.320 0.001 0.000 0.219 123 A C 0.013 177.458 177.584 -0.232 0.000 1.182 123 A CA 2.357 54.307 52.037 -0.145 0.000 0.633 123 A CB -1.650 17.297 19.000 -0.090 0.000 0.819 123 A HN 0.429 nan 8.150 nan 0.000 0.448 124 P HA 0.001 nan 4.420 nan 0.000 0.234 124 P C 0.595 177.513 177.300 -0.636 0.000 1.167 124 P CA 0.874 63.799 63.100 -0.292 0.000 0.763 124 P CB -0.104 31.494 31.700 -0.170 0.000 0.835 125 I N -5.385 114.717 120.570 -0.779 0.000 3.578 125 I HA 0.332 4.503 4.170 0.001 0.000 0.321 125 I C -0.571 175.000 176.117 -0.911 0.000 1.510 125 I CA -0.569 59.968 61.300 -1.270 0.000 1.002 125 I CB 0.369 38.029 38.000 -0.567 0.000 1.427 125 I HN -0.255 nan 8.210 nan 0.000 0.575 126 T N -3.378 110.731 114.554 -0.741 0.000 2.896 126 T HA 0.469 4.819 4.350 0.001 0.000 0.297 126 T C 0.350 175.040 174.700 -0.016 0.000 1.108 126 T CA -0.781 61.218 62.100 -0.168 0.000 1.004 126 T CB 2.780 71.621 68.868 -0.045 0.000 1.159 126 T HN 0.098 nan 8.240 nan 0.000 0.499 127 K N -0.507 120.073 120.400 0.301 0.000 2.155 127 K HA 0.094 4.415 4.320 0.001 0.000 0.203 127 K C -0.185 176.631 176.600 0.359 0.000 1.052 127 K CA 0.871 57.378 56.287 0.367 0.000 0.948 127 K CB 0.135 32.842 32.500 0.347 0.000 0.728 127 K HN 0.630 nan 8.250 nan 0.000 0.448 128 W N -0.627 120.725 121.300 0.087 0.000 3.363 128 W HA 0.476 5.136 4.660 0.001 0.000 0.306 128 W C -2.159 174.402 176.519 0.069 0.000 1.253 128 W CA -1.009 56.375 57.345 0.066 0.000 1.195 128 W CB 1.413 30.913 29.460 0.066 0.000 1.366 128 W HN -0.149 nan 8.180 nan 0.000 0.551 129 A N 4.032 126.601 122.820 -0.418 0.000 2.429 129 A HA 0.675 4.995 4.320 0.001 0.000 0.289 129 A C -2.218 174.984 177.584 -0.637 0.000 1.043 129 A CA -0.370 51.399 52.037 -0.446 0.000 0.722 129 A CB 1.388 20.261 19.000 -0.212 0.000 1.243 129 A HN 0.850 nan 8.150 nan 0.000 0.415 130 H N 0.326 118.917 119.070 -0.797 0.000 3.079 130 H HA 0.632 5.188 4.556 0.001 0.000 0.356 130 H C -0.844 174.244 175.328 -0.400 0.000 1.221 130 H CA -0.378 55.265 56.048 -0.675 0.000 1.185 130 H CB 1.396 30.510 29.762 -1.080 0.000 1.882 130 H HN 0.761 nan 8.280 nan 0.000 0.543 131 R N 3.979 124.043 120.500 -0.727 0.000 2.338 131 R HA 0.544 4.884 4.340 0.001 0.000 0.317 131 R C -0.842 175.299 176.300 -0.265 0.000 0.968 131 R CA -0.659 55.198 56.100 -0.405 0.000 0.849 131 R CB 0.830 30.924 30.300 -0.342 0.000 1.128 131 R HN 0.391 nan 8.270 nan 0.000 0.448 135 T N 1.023 115.508 114.554 -0.115 0.000 2.699 135 T HA -0.165 4.186 4.350 0.001 0.000 0.268 135 T C 1.457 176.141 174.700 -0.026 0.000 1.036 135 T CA 2.487 64.562 62.100 -0.042 0.000 1.147 135 T CB -0.234 68.619 68.868 -0.024 0.000 0.862 135 T HN 0.782 nan 8.240 nan 0.000 0.446 136 E N 0.596 120.755 120.200 -0.069 0.000 2.267 136 E HA -0.128 4.223 4.350 0.001 0.000 0.197 136 E C 1.687 178.368 176.600 0.135 0.000 0.998 136 E CA 1.009 57.417 56.400 0.013 0.000 0.830 136 E CB -0.441 29.268 29.700 0.015 0.000 0.751 136 E HN 0.729 nan 8.360 nan 0.000 0.491 137 H N -0.796 118.304 119.070 0.050 0.000 2.551 137 H HA 0.156 4.713 4.556 0.001 0.000 0.266 137 H C 1.659 177.030 175.328 0.071 0.000 0.977 137 H CA -0.134 55.952 56.048 0.064 0.000 1.163 137 H CB 0.189 30.002 29.762 0.083 0.000 1.381 137 H HN 0.122 nan 8.280 nan 0.000 0.581 138 I N 1.262 121.933 120.570 0.168 0.000 2.127 138 I HA -0.189 3.982 4.170 0.001 0.000 0.241 138 I C -0.624 175.557 176.117 0.108 0.000 1.075 138 I CA 1.125 62.500 61.300 0.125 0.000 1.334 138 I CB -1.042 37.008 38.000 0.084 0.000 1.040 138 I HN 0.198 nan 8.210 nan 0.000 0.405 139 P HA -0.203 nan 4.420 nan 0.000 0.214 139 P C 1.314 178.655 177.300 0.067 0.000 1.163 139 P CA 1.663 64.802 63.100 0.064 0.000 0.883 139 P CB -0.225 31.505 31.700 0.050 0.000 0.788 140 R N -0.836 119.707 120.500 0.073 0.000 2.115 140 R HA -0.055 4.285 4.340 0.001 0.000 0.230 140 R C 1.700 178.044 176.300 0.074 0.000 1.111 140 R CA 1.300 57.431 56.100 0.051 0.000 0.976 140 R CB -1.431 28.884 30.300 0.025 0.000 0.870 140 R HN 0.104 nan 8.270 nan 0.000 0.445 141 L N 1.380 122.679 121.223 0.127 0.000 2.131 141 L HA 0.082 4.422 4.340 0.001 0.000 0.206 141 L C 1.244 178.248 176.870 0.224 0.000 1.087 141 L CA 0.688 55.654 54.840 0.210 0.000 0.767 141 L CB -0.350 41.865 42.059 0.259 0.000 0.917 141 L HN -0.012 nan 8.230 nan 0.000 0.441 145 A N 1.349 124.324 122.820 0.260 0.000 1.908 145 A HA -0.097 4.223 4.320 0.001 0.000 0.218 145 A C 1.777 179.488 177.584 0.212 0.000 1.181 145 A CA 1.586 53.857 52.037 0.390 0.000 0.627 145 A CB -0.594 18.642 19.000 0.394 0.000 0.818 145 A HN 0.460 nan 8.150 nan 0.000 0.445 146 I N -0.970 119.682 120.570 0.136 0.000 2.252 146 I HA -0.256 3.915 4.170 0.001 0.000 0.245 146 I C 2.770 178.926 176.117 0.066 0.000 1.102 146 I CA 1.206 62.560 61.300 0.091 0.000 1.385 146 I CB -0.331 37.707 38.000 0.063 0.000 1.064 146 I HN 0.290 nan 8.210 nan 0.000 0.414 147 R N 0.790 121.315 120.500 0.041 0.000 2.083 147 R HA -0.187 4.153 4.340 0.001 0.000 0.237 147 R C 2.463 178.775 176.300 0.020 0.000 1.137 147 R CA 1.665 57.773 56.100 0.013 0.000 0.951 147 R CB -0.629 29.659 30.300 -0.021 0.000 0.851 147 R HN 0.379 nan 8.270 nan 0.000 0.434 148 A N 1.390 124.227 122.820 0.029 0.000 1.883 148 A HA -0.160 4.160 4.320 0.001 0.000 0.217 148 A C 2.426 180.074 177.584 0.107 0.000 1.186 148 A CA 1.842 53.915 52.037 0.059 0.000 0.624 148 A CB -0.722 18.333 19.000 0.091 0.000 0.822 148 A HN 0.426 nan 8.150 nan 0.000 0.444 149 A N -0.443 122.455 122.820 0.131 0.000 1.883 149 A HA -0.067 4.254 4.320 0.001 0.000 0.217 149 A C 2.137 179.775 177.584 0.089 0.000 1.186 149 A CA 1.648 53.764 52.037 0.131 0.000 0.624 149 A CB -0.587 18.489 19.000 0.127 0.000 0.822 149 A HN 0.482 nan 8.150 nan 0.000 0.444 150 L N 0.342 121.603 121.223 0.063 0.000 2.341 150 L HA 0.012 4.352 4.340 0.001 0.000 0.214 150 L C 1.412 178.299 176.870 0.028 0.000 1.115 150 L CA 0.458 55.322 54.840 0.040 0.000 0.820 150 L CB -0.273 41.803 42.059 0.028 0.000 0.944 150 L HN 0.485 nan 8.230 nan 0.000 0.452 151 S N -0.035 115.683 115.700 0.030 0.000 2.652 151 S HA 0.636 5.107 4.470 0.001 0.000 0.270 151 S C 0.103 174.717 174.600 0.023 0.000 1.243 151 S CA -0.771 57.441 58.200 0.019 0.000 0.999 151 S CB 1.734 64.941 63.200 0.011 0.000 0.973 151 S HN 0.097 nan 8.310 nan 0.000 0.544 152 A N 2.368 125.196 122.820 0.013 0.000 2.401 152 A HA 0.591 4.911 4.320 0.001 0.000 0.259 152 A C -2.124 175.467 177.584 0.012 0.000 1.103 152 A CA -1.458 50.584 52.037 0.008 0.000 0.789 152 A CB -0.684 18.317 19.000 0.001 0.000 1.035 152 A HN 0.745 nan 8.150 nan 0.000 0.491 153 P HA 0.347 nan 4.420 nan 0.000 0.279 153 P C -0.473 176.831 177.300 0.007 0.000 1.239 153 P CA -0.484 62.610 63.100 -0.011 0.000 0.789 153 P CB 0.674 32.349 31.700 -0.041 0.000 0.933 154 R N 0.843 121.346 120.500 0.005 0.000 2.734 154 R HA 0.574 4.915 4.340 0.001 0.000 0.266 154 R C 0.978 177.311 176.300 0.055 0.000 1.044 154 R CA 1.077 57.196 56.100 0.033 0.000 1.128 154 R CB -0.264 30.049 30.300 0.021 0.000 1.010 154 R HN 0.854 nan 8.270 nan 0.000 0.461 155 G N 1.524 110.394 108.800 0.115 0.000 2.466 155 G HA2 0.355 4.316 3.960 0.001 0.000 0.291 155 G HA3 0.355 4.316 3.960 0.001 0.000 0.291 155 G C -3.033 172.024 174.900 0.261 0.000 1.460 155 G CA -1.060 44.158 45.100 0.197 0.000 0.791 155 G HN 0.431 nan 8.290 nan 0.000 0.505 156 P HA 0.525 nan 4.420 nan 0.000 0.274 156 P C -0.706 176.804 177.300 0.350 0.000 1.231 156 P CA -0.316 63.020 63.100 0.393 0.000 0.790 156 P CB 2.028 34.019 31.700 0.485 0.000 0.951 157 V N 2.892 123.017 119.914 0.353 0.000 2.760 157 V HA 0.342 4.462 4.120 0.001 0.000 0.309 157 V C -0.177 176.085 176.094 0.280 0.000 1.077 157 V CA -0.770 61.707 62.300 0.294 0.000 0.910 157 V CB 2.077 34.086 31.823 0.309 0.000 1.008 157 V HN 0.426 nan 8.190 nan 0.000 0.424 158 L N 5.091 126.395 121.223 0.136 0.000 2.298 158 L HA 0.606 4.946 4.340 0.001 0.000 0.284 158 L C -1.030 175.804 176.870 -0.060 0.000 1.013 158 L CA -0.025 54.868 54.840 0.089 0.000 0.824 158 L CB 1.096 43.176 42.059 0.034 0.000 1.221 158 L HN 0.596 nan 8.230 nan 0.000 0.418 159 L N 5.008 126.230 121.223 -0.001 0.000 2.280 159 L HA 0.420 4.760 4.340 0.001 0.000 0.287 159 L C -0.894 175.946 176.870 -0.050 0.000 1.023 159 L CA -0.397 54.407 54.840 -0.061 0.000 0.819 159 L CB 1.395 43.466 42.059 0.019 0.000 1.212 159 L HN 0.645 nan 8.230 nan 0.000 0.420 160 D N 5.941 126.269 120.400 -0.120 0.000 2.274 160 D HA 0.319 4.959 4.640 0.001 0.000 0.239 160 D C -0.907 175.351 176.300 -0.069 0.000 1.104 160 D CA -0.258 53.668 54.000 -0.124 0.000 0.840 160 D CB 1.267 41.934 40.800 -0.222 0.000 1.100 160 D HN 0.353 nan 8.370 nan 0.000 0.477 161 L N 6.034 127.243 121.223 -0.022 0.000 2.337 161 L HA 0.353 4.694 4.340 0.001 0.000 0.269 161 L C -2.243 174.659 176.870 0.054 0.000 1.018 161 L CA -1.832 53.022 54.840 0.024 0.000 0.876 161 L CB 1.783 43.872 42.059 0.050 0.000 1.236 161 L HN 0.157 nan 8.230 nan 0.000 0.436 162 P HA -0.109 nan 4.420 nan 0.000 0.267 162 P C 0.037 177.465 177.300 0.213 0.000 1.200 162 P CA -0.133 63.032 63.100 0.109 0.000 0.772 162 P CB 0.615 32.354 31.700 0.065 0.000 0.855 163 W N 3.483 124.815 121.300 0.052 0.000 2.338 163 W HA -0.185 4.475 4.660 0.001 0.000 0.304 163 W C 1.607 178.126 176.519 -0.000 0.000 1.212 163 W CA 1.707 59.076 57.345 0.039 0.000 1.264 163 W CB -1.140 28.337 29.460 0.029 0.000 1.142 163 W HN 0.408 nan 8.180 nan 0.000 0.512 164 D N 0.224 120.697 120.400 0.121 0.000 2.230 164 D HA -0.254 4.386 4.640 0.001 0.000 0.189 164 D C 2.101 178.400 176.300 -0.001 0.000 1.006 164 D CA 2.562 56.546 54.000 -0.026 0.000 0.853 164 D CB -0.491 40.312 40.800 0.004 0.000 0.959 164 D HN 0.013 nan 8.370 nan 0.000 0.449 165 I N 0.519 121.115 120.570 0.043 0.000 2.315 165 I HA -0.129 4.041 4.170 0.001 0.000 0.248 165 I C 1.560 177.707 176.117 0.050 0.000 1.117 165 I CA 0.434 61.752 61.300 0.030 0.000 1.404 165 I CB -1.011 37.010 38.000 0.035 0.000 1.071 165 I HN 0.058 nan 8.210 nan 0.000 0.419 169 Q N 2.002 121.794 119.800 -0.014 0.000 2.316 169 Q HA 0.559 4.900 4.340 0.001 0.000 0.264 169 Q C -0.670 175.327 176.000 -0.005 0.000 0.987 169 Q CA -0.791 55.010 55.803 -0.003 0.000 0.852 169 Q CB 1.809 30.545 28.738 -0.003 0.000 1.287 169 Q HN 0.558 nan 8.270 nan 0.000 0.448 170 I N -1.848 118.724 120.570 0.003 0.000 2.892 170 I HA 0.361 4.531 4.170 0.001 0.000 0.306 170 I C -0.399 175.723 176.117 0.008 0.000 1.078 170 I CA -1.113 60.189 61.300 0.003 0.000 1.032 170 I CB 1.248 39.249 38.000 0.002 0.000 1.229 170 I HN 0.435 nan 8.210 nan 0.000 0.435 171 D N 4.084 124.488 120.400 0.007 0.000 2.358 171 D HA 0.014 4.655 4.640 0.001 0.000 0.258 171 D C -0.081 176.228 176.300 0.015 0.000 1.223 171 D CA -0.133 53.873 54.000 0.010 0.000 0.886 171 D CB 0.847 41.651 40.800 0.008 0.000 1.120 171 D HN 0.790 nan 8.370 nan 0.000 0.482 172 E N 3.271 123.481 120.200 0.018 0.000 2.418 172 E HA -0.048 4.302 4.350 0.001 0.000 0.261 172 E C -0.296 176.315 176.600 0.018 0.000 1.070 172 E CA -0.253 56.160 56.400 0.022 0.000 0.931 172 E CB 0.506 30.221 29.700 0.026 0.000 0.954 172 E HN 0.415 nan 8.360 nan 0.000 0.439 173 D N 0.341 120.753 120.400 0.019 0.000 2.876 173 D HA -0.190 4.450 4.640 0.001 0.000 0.196 173 D C 0.853 177.162 176.300 0.016 0.000 1.014 173 D CA 1.568 55.578 54.000 0.016 0.000 1.012 173 D CB -1.649 39.160 40.800 0.014 0.000 1.080 173 D HN 0.535 nan 8.370 nan 0.000 0.438 174 S N -1.195 114.515 115.700 0.017 0.000 2.506 174 S HA 0.283 4.754 4.470 0.001 0.000 0.219 174 S C 0.604 175.217 174.600 0.023 0.000 1.031 174 S CA 0.424 58.634 58.200 0.017 0.000 0.911 174 S CB 1.361 64.570 63.200 0.015 0.000 0.812 174 S HN 0.272 nan 8.310 nan 0.000 0.497 175 V N 1.673 121.602 119.914 0.025 0.000 2.531 175 V HA 0.666 4.787 4.120 0.001 0.000 0.301 175 V C -1.028 175.082 176.094 0.028 0.000 1.034 175 V CA -1.210 61.109 62.300 0.031 0.000 0.865 175 V CB 1.443 33.289 31.823 0.039 0.000 0.995 175 V HN 0.402 nan 8.190 nan 0.000 0.424 176 I N 6.625 127.211 120.570 0.027 0.000 2.474 176 I HA 0.422 4.592 4.170 0.001 0.000 0.287 176 I C -0.145 175.985 176.117 0.021 0.000 1.048 176 I CA 0.184 61.497 61.300 0.021 0.000 1.383 176 I CB 1.332 39.343 38.000 0.017 0.000 1.412 176 I HN 0.587 nan 8.210 nan 0.000 0.531 177 I N 9.940 130.519 120.570 0.015 0.000 2.301 177 I HA 0.308 4.479 4.170 0.001 0.000 0.292 177 I C -2.002 174.120 176.117 0.008 0.000 1.046 177 I CA -1.613 59.694 61.300 0.011 0.000 1.282 177 I CB 0.283 38.284 38.000 0.002 0.000 1.409 177 I HN 0.447 nan 8.210 nan 0.000 0.484 178 P HA 0.165 nan 4.420 nan 0.000 0.274 178 P C -0.671 176.630 177.300 0.002 0.000 1.246 178 P CA -0.432 62.672 63.100 0.006 0.000 0.795 178 P CB 0.614 32.318 31.700 0.007 0.000 1.006 179 D N 0.112 120.512 120.400 -0.000 0.000 2.383 179 D HA 0.144 4.785 4.640 0.001 0.000 0.248 179 D C -0.139 176.160 176.300 -0.001 0.000 1.170 179 D CA -0.137 53.862 54.000 -0.002 0.000 0.977 179 D CB 0.568 41.366 40.800 -0.002 0.000 1.120 179 D HN 0.150 nan 8.370 nan 0.000 0.481 180 L N 1.734 122.955 121.223 -0.002 0.000 2.363 180 L HA 0.157 4.497 4.340 0.001 0.000 0.286 180 L C -0.922 175.945 176.870 -0.005 0.000 1.106 180 L CA -0.117 54.722 54.840 -0.002 0.000 0.859 180 L CB 0.172 42.230 42.059 -0.000 0.000 1.223 180 L HN 0.017 nan 8.230 nan 0.000 0.446 181 V N 7.095 127.005 119.914 -0.006 0.000 2.304 181 V HA 0.532 4.653 4.120 0.001 0.000 0.278 181 V C -0.598 175.491 176.094 -0.008 0.000 1.018 181 V CA -0.504 61.792 62.300 -0.006 0.000 0.814 181 V CB 1.098 32.918 31.823 -0.004 0.000 1.021 181 V HN 0.634 nan 8.190 nan 0.000 0.440 182 L N 4.465 125.683 121.223 -0.008 0.000 2.849 182 L HA 0.447 4.787 4.340 0.001 0.000 0.256 182 L C -0.054 176.808 176.870 -0.013 0.000 0.951 182 L CA 0.170 55.004 54.840 -0.009 0.000 1.003 182 L CB 1.964 44.016 42.059 -0.011 0.000 1.408 182 L HN 0.564 nan 8.230 nan 0.000 0.463 183 S N 3.291 118.991 115.700 0.001 0.000 2.573 183 S HA 0.344 4.814 4.470 0.001 0.000 0.297 183 S C 1.496 176.065 174.600 -0.053 0.000 1.280 183 S CA 0.523 58.726 58.200 0.005 0.000 1.061 183 S CB 0.992 64.236 63.200 0.073 0.000 0.812 183 S HN 1.079 nan 8.310 nan 0.000 0.500 184 A N 4.803 127.518 122.820 -0.174 0.000 2.067 184 A HA 0.117 4.437 4.320 0.001 0.000 0.217 184 A C 0.764 178.190 177.584 -0.264 0.000 1.156 184 A CA 0.419 52.309 52.037 -0.245 0.000 0.683 184 A CB -0.406 18.404 19.000 -0.317 0.000 0.808 184 A HN 0.949 nan 8.150 nan 0.000 0.455 185 H N 0.294 119.361 119.070 -0.006 0.000 2.604 185 H HA 0.405 4.961 4.556 0.001 0.000 0.306 185 H C 0.859 176.180 175.328 -0.011 0.000 1.075 185 H CA -0.129 55.913 56.048 -0.010 0.000 1.357 185 H CB 0.640 30.396 29.762 -0.010 0.000 1.426 185 H HN 0.252 nan 8.280 nan 0.000 0.470 186 G N 1.476 110.328 108.800 0.088 0.000 2.684 186 G HA2 0.337 4.298 3.960 0.001 0.000 0.255 186 G HA3 0.337 4.298 3.960 0.001 0.000 0.255 186 G C 0.144 175.069 174.900 0.042 0.000 1.219 186 G CA -0.171 44.958 45.100 0.047 0.000 0.901 186 G HN 0.797 nan 8.290 nan 0.000 0.548 187 A N -0.305 122.528 122.820 0.022 0.000 2.406 187 A HA 0.606 4.927 4.320 0.001 0.000 0.243 187 A C 0.810 178.394 177.584 0.001 0.000 1.082 187 A CA 0.094 52.137 52.037 0.010 0.000 0.786 187 A CB 0.236 19.239 19.000 0.005 0.000 1.029 187 A HN 1.036 nan 8.150 nan 0.000 0.495 188 R N 0.487 120.982 120.500 -0.008 0.000 2.867 188 R HA 0.699 5.040 4.340 0.001 0.000 0.268 188 R C -3.137 173.152 176.300 -0.018 0.000 1.014 188 R CA -1.782 54.307 56.100 -0.019 0.000 0.946 188 R CB 0.352 30.635 30.300 -0.028 0.000 1.208 188 R HN 0.399 nan 8.270 nan 0.000 0.477 189 P HA -0.042 nan 4.420 nan 0.000 0.268 189 P C -0.822 176.470 177.300 -0.012 0.000 1.208 189 P CA -0.059 63.031 63.100 -0.016 0.000 0.777 189 P CB 0.410 32.097 31.700 -0.021 0.000 0.875 190 D N 2.684 123.081 120.400 -0.006 0.000 2.472 190 D HA -0.048 4.592 4.640 0.001 0.000 0.237 190 D C -1.388 174.910 176.300 -0.003 0.000 1.141 190 D CA -1.124 52.874 54.000 -0.004 0.000 0.875 190 D CB 0.637 41.437 40.800 -0.000 0.000 1.192 190 D HN 0.113 nan 8.370 nan 0.000 0.450 191 P HA -0.153 nan 4.420 nan 0.000 0.216 191 P C 0.891 178.195 177.300 0.007 0.000 1.150 191 P CA 1.799 64.900 63.100 0.001 0.000 0.843 191 P CB 0.077 31.778 31.700 0.001 0.000 0.787 192 A N -0.393 122.431 122.820 0.007 0.000 1.930 192 A HA -0.197 4.124 4.320 0.001 0.000 0.217 192 A C 1.972 179.564 177.584 0.013 0.000 1.175 192 A CA 1.892 53.934 52.037 0.010 0.000 0.627 192 A CB -1.201 17.804 19.000 0.007 0.000 0.815 192 A HN 0.095 nan 8.150 nan 0.000 0.443 193 D N -0.443 119.963 120.400 0.011 0.000 2.123 193 D HA -0.087 4.553 4.640 0.001 0.000 0.200 193 D C 1.841 178.151 176.300 0.017 0.000 0.976 193 D CA 0.878 54.886 54.000 0.014 0.000 0.831 193 D CB -0.359 40.446 40.800 0.009 0.000 0.974 193 D HN 0.309 nan 8.370 nan 0.000 0.469 194 L N 1.265 122.494 121.223 0.011 0.000 2.012 194 L HA -0.182 4.158 4.340 0.001 0.000 0.210 194 L C 1.664 178.559 176.870 0.042 0.000 1.073 194 L CA 1.723 56.571 54.840 0.013 0.000 0.748 194 L CB -0.406 41.652 42.059 -0.002 0.000 0.891 194 L HN -0.131 nan 8.230 nan 0.000 0.431 195 D N -0.959 119.464 120.400 0.038 0.000 2.106 195 D HA -0.272 4.369 4.640 0.001 0.000 0.191 195 D C 2.098 178.430 176.300 0.054 0.000 0.997 195 D CA 1.441 55.469 54.000 0.047 0.000 0.834 195 D CB -0.179 40.638 40.800 0.028 0.000 0.956 195 D HN 0.449 nan 8.370 nan 0.000 0.448 196 Q N -0.055 119.770 119.800 0.042 0.000 2.084 196 Q HA -0.155 4.186 4.340 0.001 0.000 0.202 196 Q C 2.083 178.120 176.000 0.062 0.000 0.978 196 Q CA 1.515 57.343 55.803 0.042 0.000 0.844 196 Q CB -0.080 28.677 28.738 0.031 0.000 0.898 196 Q HN 0.226 nan 8.270 nan 0.000 0.426 197 A N 0.589 123.449 122.820 0.066 0.000 1.883 197 A HA -0.201 4.119 4.320 0.001 0.000 0.217 197 A C 1.919 179.589 177.584 0.144 0.000 1.186 197 A CA 1.270 53.359 52.037 0.086 0.000 0.624 197 A CB -0.656 18.380 19.000 0.061 0.000 0.822 197 A HN 0.375 nan 8.150 nan 0.000 0.444 198 L N -0.557 120.771 121.223 0.175 0.000 2.083 198 L HA -0.092 4.249 4.340 0.001 0.000 0.209 198 L C 2.957 179.973 176.870 0.244 0.000 1.083 198 L CA 1.781 56.807 54.840 0.310 0.000 0.752 198 L CB -1.406 40.847 42.059 0.324 0.000 0.899 198 L HN 0.431 nan 8.230 nan 0.000 0.433 199 A N -0.893 121.999 122.820 0.120 0.000 1.898 199 A HA -0.144 4.177 4.320 0.001 0.000 0.216 199 A C 2.341 179.967 177.584 0.071 0.000 1.181 199 A CA 1.357 53.426 52.037 0.054 0.000 0.620 199 A CB -0.628 18.387 19.000 0.025 0.000 0.819 199 A HN 0.378 nan 8.150 nan 0.000 0.442 200 L N -1.177 120.100 121.223 0.090 0.000 2.093 200 L HA -0.138 4.203 4.340 0.001 0.000 0.208 200 L C 2.492 179.434 176.870 0.119 0.000 1.085 200 L CA 0.840 55.730 54.840 0.083 0.000 0.755 200 L CB -0.409 41.694 42.059 0.073 0.000 0.904 200 L HN 0.411 nan 8.230 nan 0.000 0.435 201 L N 0.132 121.471 121.223 0.193 0.000 2.093 201 L HA -0.187 4.154 4.340 0.001 0.000 0.208 201 L C 2.723 179.798 176.870 0.342 0.000 1.085 201 L CA 1.619 56.618 54.840 0.265 0.000 0.755 201 L CB -0.532 41.737 42.059 0.350 0.000 0.904 201 L HN 0.159 nan 8.230 nan 0.000 0.435 202 R N 0.360 121.054 120.500 0.322 0.000 2.119 202 R HA -0.118 4.222 4.340 0.001 0.000 0.222 202 R C 1.739 178.082 176.300 0.071 0.000 1.088 202 R CA 1.389 57.591 56.100 0.170 0.000 0.984 202 R CB -0.139 30.035 30.300 -0.211 0.000 0.884 202 R HN 0.497 nan 8.270 nan 0.000 0.447 203 K N -0.076 120.353 120.400 0.049 0.000 2.437 203 K HA 0.270 4.591 4.320 0.001 0.000 0.198 203 K C -0.243 176.367 176.600 0.016 0.000 1.024 203 K CA 0.079 56.377 56.287 0.017 0.000 1.148 203 K CB 0.743 33.242 32.500 -0.003 0.000 0.860 203 K HN 0.073 nan 8.250 nan 0.000 0.515 204 A N 1.628 124.469 122.820 0.035 0.000 2.340 204 A HA 0.162 4.482 4.320 0.001 0.000 0.268 204 A C 0.442 177.994 177.584 -0.053 0.000 1.100 204 A CA -0.574 51.458 52.037 -0.009 0.000 0.803 204 A CB 0.602 19.605 19.000 0.006 0.000 1.043 204 A HN 0.397 nan 8.150 nan 0.000 0.488 205 E N 0.680 120.805 120.200 -0.125 0.000 2.190 205 E HA 0.009 4.360 4.350 0.001 0.000 0.191 205 E C 0.180 176.530 176.600 -0.417 0.000 0.978 205 E CA 0.645 56.934 56.400 -0.185 0.000 0.839 205 E CB 0.199 29.805 29.700 -0.157 0.000 0.787 205 E HN 0.634 nan 8.360 nan 0.000 0.473 206 R N 1.032 121.169 120.500 -0.606 0.000 2.674 206 R HA 0.206 4.546 4.340 0.001 0.000 0.270 206 R C -2.638 173.244 176.300 -0.697 0.000 1.492 206 R CA -1.271 53.983 56.100 -1.411 0.000 1.624 206 R CB 1.342 30.723 30.300 -1.532 0.000 1.307 206 R HN 0.073 nan 8.270 nan 0.000 0.683 207 P HA 0.277 nan 4.420 nan 0.000 0.279 207 P C -0.452 177.085 177.300 0.394 0.000 1.252 207 P CA -0.347 62.814 63.100 0.100 0.000 0.811 207 P CB 1.969 33.731 31.700 0.103 0.000 1.035 208 V N 2.425 122.506 119.914 0.279 0.000 2.969 208 V HA 0.378 4.498 4.120 0.001 0.000 0.304 208 V C -0.195 176.017 176.094 0.197 0.000 1.192 208 V CA -0.613 61.877 62.300 0.317 0.000 0.962 208 V CB 2.352 34.351 31.823 0.294 0.000 1.045 208 V HN 0.381 nan 8.190 nan 0.000 0.428 209 I N 3.689 124.383 120.570 0.207 0.000 2.493 209 I HA 0.653 4.824 4.170 0.001 0.000 0.298 209 I C -0.930 175.286 176.117 0.165 0.000 0.998 209 I CA -0.925 60.465 61.300 0.150 0.000 1.137 209 I CB 2.153 40.231 38.000 0.130 0.000 1.310 209 I HN 0.250 nan 8.210 nan 0.000 0.445 210 V N 6.837 126.802 119.914 0.085 0.000 2.443 210 V HA 0.419 4.539 4.120 0.001 0.000 0.293 210 V C -0.163 175.941 176.094 0.018 0.000 1.021 210 V CA -0.550 61.784 62.300 0.057 0.000 0.848 210 V CB 1.603 33.407 31.823 -0.031 0.000 0.998 210 V HN 0.466 nan 8.190 nan 0.000 0.424 211 L N 4.006 125.247 121.223 0.029 0.000 2.325 211 L HA 0.865 5.206 4.340 0.001 0.000 0.279 211 L C 0.925 177.787 176.870 -0.013 0.000 1.054 211 L CA -0.031 54.814 54.840 0.009 0.000 0.804 211 L CB 1.523 43.594 42.059 0.019 0.000 1.200 211 L HN 0.759 nan 8.230 nan 0.000 0.436 212 G N -0.372 108.410 108.800 -0.030 0.000 3.209 212 G HA2 0.315 4.275 3.960 0.001 0.000 0.236 212 G HA3 0.315 4.275 3.960 0.001 0.000 0.236 212 G C 0.725 175.600 174.900 -0.041 0.000 1.329 212 G CA 0.323 45.395 45.100 -0.046 0.000 1.015 212 G HN 0.616 nan 8.290 nan 0.000 0.571 213 S N -0.709 114.954 115.700 -0.062 0.000 2.399 213 S HA -0.110 4.361 4.470 0.001 0.000 0.231 213 S C 1.611 176.185 174.600 -0.044 0.000 1.022 213 S CA 1.912 60.077 58.200 -0.058 0.000 0.983 213 S CB -0.251 62.894 63.200 -0.091 0.000 0.803 213 S HN 0.503 nan 8.310 nan 0.000 0.480 214 E N 1.750 121.923 120.200 -0.044 0.000 2.204 214 E HA 0.014 4.364 4.350 0.001 0.000 0.194 214 E C 2.382 178.968 176.600 -0.023 0.000 0.989 214 E CA 1.007 57.388 56.400 -0.032 0.000 0.824 214 E CB -0.586 29.096 29.700 -0.032 0.000 0.756 214 E HN 0.735 nan 8.360 nan 0.000 0.477 215 A N 0.948 123.756 122.820 -0.020 0.000 1.972 215 A HA -0.158 4.162 4.320 0.001 0.000 0.219 215 A C 2.389 179.967 177.584 -0.010 0.000 1.169 215 A CA 1.821 53.852 52.037 -0.011 0.000 0.635 215 A CB -0.398 18.600 19.000 -0.004 0.000 0.810 215 A HN 0.227 nan 8.150 nan 0.000 0.446 216 S N -1.002 114.690 115.700 -0.012 0.000 2.377 216 S HA -0.102 4.368 4.470 0.001 0.000 0.223 216 S C 2.183 176.772 174.600 -0.018 0.000 1.030 216 S CA 0.736 58.929 58.200 -0.012 0.000 0.970 216 S CB -0.300 62.894 63.200 -0.011 0.000 0.830 216 S HN 0.519 nan 8.310 nan 0.000 0.473 217 R N 1.081 121.568 120.500 -0.021 0.000 2.127 217 R HA -0.042 4.298 4.340 0.001 0.000 0.238 217 R C 2.412 178.701 176.300 -0.018 0.000 1.134 217 R CA 1.839 57.927 56.100 -0.020 0.000 0.975 217 R CB -1.771 28.519 30.300 -0.017 0.000 0.865 217 R HN 0.743 nan 8.270 nan 0.000 0.447 218 T N -2.986 111.558 114.554 -0.016 0.000 3.037 218 T HA 0.346 4.696 4.350 0.001 0.000 0.252 218 T C 1.060 175.752 174.700 -0.014 0.000 1.073 218 T CA 0.486 62.577 62.100 -0.015 0.000 1.091 218 T CB 0.179 69.040 68.868 -0.011 0.000 0.935 218 T HN 0.249 nan 8.240 nan 0.000 0.488 219 A N 2.035 124.848 122.820 -0.012 0.000 2.704 219 A HA -0.167 4.153 4.320 0.001 0.000 0.299 219 A C 0.591 178.172 177.584 -0.005 0.000 1.507 219 A CA 0.398 52.428 52.037 -0.011 0.000 0.776 219 A CB -1.801 17.189 19.000 -0.017 0.000 1.027 219 A HN 0.449 nan 8.150 nan 0.000 0.475 220 R N 0.095 120.596 120.500 0.000 0.000 4.154 220 R HA 0.171 4.512 4.340 0.001 0.000 0.186 220 R C 1.155 177.461 176.300 0.010 0.000 1.750 220 R CA 0.426 56.531 56.100 0.007 0.000 1.431 220 R CB -0.498 29.808 30.300 0.010 0.000 1.383 220 R HN 0.764 nan 8.270 nan 0.000 0.788 221 K N -0.036 120.367 120.400 0.005 0.000 2.025 221 K HA -0.136 4.185 4.320 0.001 0.000 0.207 221 K C 1.936 178.540 176.600 0.008 0.000 1.049 221 K CA 2.016 58.305 56.287 0.004 0.000 0.933 221 K CB -0.028 32.470 32.500 -0.003 0.000 0.714 221 K HN 0.436 nan 8.250 nan 0.000 0.438 222 T N -0.282 114.278 114.554 0.009 0.000 2.821 222 T HA -0.052 4.298 4.350 0.001 0.000 0.267 222 T C 2.084 176.797 174.700 0.022 0.000 1.046 222 T CA 1.132 63.239 62.100 0.012 0.000 1.139 222 T CB -0.158 68.716 68.868 0.010 0.000 0.871 222 T HN 0.175 nan 8.240 nan 0.000 0.454 223 A N 1.508 124.344 122.820 0.026 0.000 1.873 223 A HA 0.215 4.536 4.320 0.001 0.000 0.215 223 A C 2.486 180.110 177.584 0.068 0.000 1.186 223 A CA 1.255 53.313 52.037 0.036 0.000 0.616 223 A CB -1.056 17.956 19.000 0.019 0.000 0.823 223 A HN 0.543 nan 8.150 nan 0.000 0.442 224 L N 0.451 121.711 121.223 0.061 0.000 1.990 224 L HA -0.245 4.096 4.340 0.001 0.000 0.213 224 L C 2.984 179.904 176.870 0.082 0.000 1.072 224 L CA 2.457 57.355 54.840 0.097 0.000 0.755 224 L CB -0.393 41.698 42.059 0.054 0.000 0.889 224 L HN 0.625 nan 8.230 nan 0.000 0.432 225 S N -0.656 115.062 115.700 0.031 0.000 2.423 225 S HA -0.092 4.378 4.470 0.001 0.000 0.231 225 S C 2.029 176.624 174.600 -0.009 0.000 1.014 225 S CA 0.786 58.983 58.200 -0.005 0.000 0.965 225 S CB -0.224 62.967 63.200 -0.016 0.000 0.785 225 S HN 0.476 nan 8.310 nan 0.000 0.495 226 A N 1.061 123.896 122.820 0.024 0.000 1.898 226 A HA 0.097 4.418 4.320 0.001 0.000 0.216 226 A C 2.012 179.618 177.584 0.037 0.000 1.181 226 A CA 1.282 53.335 52.037 0.026 0.000 0.620 226 A CB -1.094 17.933 19.000 0.044 0.000 0.819 226 A HN 0.704 nan 8.150 nan 0.000 0.442 227 F N 0.374 120.273 119.950 -0.086 0.000 2.146 227 F HA -0.121 4.407 4.527 0.001 0.000 0.298 227 F C 2.060 177.754 175.800 -0.177 0.000 1.096 227 F CA 1.662 59.583 58.000 -0.132 0.000 1.275 227 F CB 0.078 39.014 39.000 -0.108 0.000 1.008 227 F HN 0.040 nan 8.300 nan 0.000 0.480 228 V N 0.624 120.343 119.914 -0.324 0.000 2.379 228 V HA -0.241 3.879 4.120 0.001 0.000 0.245 228 V C 2.728 178.632 176.094 -0.318 0.000 1.044 228 V CA 1.598 63.653 62.300 -0.408 0.000 1.036 228 V CB -1.330 30.364 31.823 -0.215 0.000 0.664 228 V HN 0.476 nan 8.190 nan 0.000 0.453 229 A N 0.068 122.770 122.820 -0.197 0.000 1.933 229 A HA -0.081 4.240 4.320 0.001 0.000 0.218 229 A C 2.371 179.858 177.584 -0.162 0.000 1.175 229 A CA 2.003 53.955 52.037 -0.142 0.000 0.628 229 A CB -0.618 18.334 19.000 -0.080 0.000 0.814 229 A HN 0.557 nan 8.150 nan 0.000 0.444 230 A N -0.669 122.021 122.820 -0.216 0.000 1.968 230 A HA 0.010 4.330 4.320 0.001 0.000 0.217 230 A C 2.336 179.665 177.584 -0.424 0.000 1.169 230 A CA 2.225 54.128 52.037 -0.222 0.000 0.638 230 A CB -0.817 18.080 19.000 -0.172 0.000 0.812 230 A HN 0.714 nan 8.150 nan 0.000 0.446 231 T N -5.087 109.075 114.554 -0.653 0.000 3.023 231 T HA 0.385 4.736 4.350 0.001 0.000 0.249 231 T C 1.465 175.965 174.700 -0.333 0.000 1.050 231 T CA 1.148 62.781 62.100 -0.778 0.000 1.088 231 T CB -0.171 67.993 68.868 -1.173 0.000 0.946 231 T HN 1.648 nan 8.240 nan 0.000 0.480 232 G N 1.305 109.933 108.800 -0.286 0.000 2.198 232 G HA2 -0.200 3.760 3.960 0.001 0.000 0.260 232 G HA3 -0.200 3.760 3.960 0.001 0.000 0.260 232 G C 0.008 174.845 174.900 -0.106 0.000 1.025 232 G CA 0.138 45.149 45.100 -0.149 0.000 0.769 232 G HN 0.734 nan 8.290 nan 0.000 0.507 233 V N 2.604 122.405 119.914 -0.188 0.000 2.432 233 V HA 0.390 4.511 4.120 0.001 0.000 0.271 233 V C -0.885 175.162 176.094 -0.079 0.000 1.046 233 V CA -1.301 60.956 62.300 -0.073 0.000 0.945 233 V CB 1.362 33.110 31.823 -0.126 0.000 0.992 233 V HN 0.300 nan 8.190 nan 0.000 0.471 234 P HA 0.203 nan 4.420 nan 0.000 0.271 234 P C -0.963 176.278 177.300 -0.098 0.000 1.218 234 P CA -0.019 62.998 63.100 -0.138 0.000 0.780 234 P CB 1.137 32.701 31.700 -0.226 0.000 0.901 235 V N 3.166 122.930 119.914 -0.250 0.000 2.531 235 V HA 0.405 4.525 4.120 0.001 0.000 0.301 235 V C -0.015 175.890 176.094 -0.315 0.000 1.034 235 V CA -0.372 61.846 62.300 -0.136 0.000 0.865 235 V CB 0.943 32.708 31.823 -0.096 0.000 0.995 235 V HN 0.393 nan 8.190 nan 0.000 0.424 236 F N 2.007 121.922 119.950 -0.058 0.000 2.518 236 F HA 0.936 5.464 4.527 0.001 0.000 0.338 236 F C 0.548 176.318 175.800 -0.051 0.000 1.065 236 F CA -0.591 57.371 58.000 -0.063 0.000 1.012 236 F CB 1.816 40.763 39.000 -0.088 0.000 1.297 236 F HN 0.631 nan 8.300 nan 0.000 0.489 237 A N 0.252 123.176 122.820 0.173 0.000 2.594 237 A HA 0.548 4.869 4.320 0.001 0.000 0.295 237 A C -1.541 176.070 177.584 0.044 0.000 1.071 237 A CA -0.821 51.262 52.037 0.077 0.000 0.685 237 A CB 1.116 20.149 19.000 0.055 0.000 1.285 237 A HN 0.676 nan 8.150 nan 0.000 0.405 238 D N -0.115 120.280 120.400 -0.009 0.000 2.447 238 D HA 0.219 4.859 4.640 0.001 0.000 0.265 238 D C 0.682 177.001 176.300 0.032 0.000 1.250 238 D CA -0.080 53.868 54.000 -0.087 0.000 1.046 238 D CB -0.075 40.648 40.800 -0.128 0.000 1.095 238 D HN 0.418 nan 8.370 nan 0.000 0.555 239 Y N -0.948 119.426 120.300 0.124 0.000 2.128 239 Y HA -0.086 4.464 4.550 0.001 0.000 0.284 239 Y C 2.477 178.484 175.900 0.178 0.000 1.154 239 Y CA 1.604 59.847 58.100 0.237 0.000 1.149 239 Y CB -0.829 37.729 38.460 0.164 0.000 0.976 239 Y HN 0.474 nan 8.280 nan 0.000 0.505 240 E N -0.291 120.023 120.200 0.189 0.000 2.274 240 E HA -0.046 4.304 4.350 0.001 0.000 0.194 240 E C 2.338 178.980 176.600 0.070 0.000 0.996 240 E CA 1.044 57.490 56.400 0.078 0.000 0.840 240 E CB -0.506 29.186 29.700 -0.012 0.000 0.772 240 E HN 0.399 nan 8.360 nan 0.000 0.491 241 G N -0.147 108.696 108.800 0.071 0.000 2.777 241 G HA2 -0.100 3.861 3.960 0.001 0.000 0.211 241 G HA3 -0.100 3.861 3.960 0.001 0.000 0.211 241 G C 1.308 176.249 174.900 0.068 0.000 1.149 241 G CA 0.302 45.431 45.100 0.048 0.000 0.785 241 G HN 0.292 nan 8.290 nan 0.000 0.536 242 L N 2.407 123.706 121.223 0.126 0.000 2.013 242 L HA -0.022 4.319 4.340 0.001 0.000 0.212 242 L C 2.226 179.125 176.870 0.048 0.000 1.073 242 L CA 1.702 56.599 54.840 0.095 0.000 0.753 242 L CB -0.922 41.213 42.059 0.128 0.000 0.890 242 L HN 0.287 nan 8.230 nan 0.000 0.432 246 S N 0.869 116.544 115.700 -0.042 0.000 2.428 246 S HA -0.005 4.466 4.470 0.001 0.000 0.230 246 S C 1.775 176.348 174.600 -0.045 0.000 1.014 246 S CA 1.415 59.588 58.200 -0.045 0.000 0.957 246 S CB 0.053 63.234 63.200 -0.032 0.000 0.784 246 S HN 0.586 nan 8.310 nan 0.000 0.499 247 G N 0.656 109.432 108.800 -0.039 0.000 3.042 247 G HA2 0.303 4.263 3.960 0.001 0.000 0.212 247 G HA3 0.303 4.263 3.960 0.001 0.000 0.212 247 G C 0.311 175.184 174.900 -0.045 0.000 1.166 247 G CA -0.261 44.817 45.100 -0.037 0.000 0.767 247 G HN 0.303 nan 8.290 nan 0.000 0.546 248 L N 0.972 122.161 121.223 -0.058 0.000 2.418 248 L HA 0.312 4.653 4.340 0.001 0.000 0.265 248 L C -1.969 174.853 176.870 -0.079 0.000 1.143 248 L CA -1.905 52.892 54.840 -0.072 0.000 0.809 248 L CB 0.724 42.730 42.059 -0.088 0.000 1.124 248 L HN -0.108 nan 8.230 nan 0.000 0.456 249 P HA 0.016 nan 4.420 nan 0.000 0.268 249 P C -0.061 177.179 177.300 -0.098 0.000 1.205 249 P CA -0.194 62.857 63.100 -0.082 0.000 0.771 249 P CB 0.566 32.219 31.700 -0.079 0.000 0.858 250 D N 0.937 121.281 120.400 -0.093 0.000 2.123 250 D HA -0.120 4.520 4.640 0.001 0.000 0.196 250 D C 1.125 177.350 176.300 -0.124 0.000 0.992 250 D CA 1.219 55.155 54.000 -0.107 0.000 0.833 250 D CB -0.262 40.481 40.800 -0.095 0.000 0.954 250 D HN 0.451 nan 8.370 nan 0.000 0.455 254 G N 1.013 109.354 108.800 -0.766 0.000 2.443 254 G HA2 0.235 4.196 3.960 0.001 0.000 0.219 254 G HA3 0.235 4.196 3.960 0.001 0.000 0.219 254 G C 0.815 175.237 174.900 -0.797 0.000 1.131 254 G CA 0.995 45.296 45.100 -1.333 0.000 0.775 254 G HN 0.928 nan 8.290 nan 0.000 0.547 255 G N -0.641 107.868 108.800 -0.485 0.000 2.484 255 G HA2 -0.190 3.770 3.960 0.001 0.000 0.225 255 G HA3 -0.190 3.770 3.960 0.001 0.000 0.225 255 G C -0.144 174.790 174.900 0.055 0.000 1.250 255 G CA -0.358 44.660 45.100 -0.135 0.000 0.926 255 G HN 0.571 nan 8.290 nan 0.000 0.581 256 L N 1.312 122.607 121.223 0.120 0.000 2.416 256 L HA 0.230 4.570 4.340 0.001 0.000 0.272 256 L C 2.363 179.369 176.870 0.226 0.000 1.161 256 L CA 0.041 54.973 54.840 0.153 0.000 0.845 256 L CB 1.253 43.395 42.059 0.138 0.000 1.119 256 L HN 0.748 nan 8.230 nan 0.000 0.464 257 V N 0.409 120.395 119.914 0.122 0.000 2.546 257 V HA -0.305 3.816 4.120 0.001 0.000 0.254 257 V C 2.267 178.331 176.094 -0.051 0.000 1.076 257 V CA 1.877 64.167 62.300 -0.017 0.000 1.087 257 V CB -1.376 30.379 31.823 -0.115 0.000 0.674 257 V HN 1.073 nan 8.190 nan 0.000 0.470 258 Q N 3.625 123.432 119.800 0.013 0.000 2.112 258 Q HA -0.307 4.033 4.340 0.001 0.000 0.206 258 Q C 1.688 177.756 176.000 0.112 0.000 0.987 258 Q CA 2.374 58.203 55.803 0.043 0.000 0.858 258 Q CB -1.035 27.733 28.738 0.050 0.000 0.905 258 Q HN 0.822 nan 8.270 nan 0.000 0.420 259 N N 0.371 119.170 118.700 0.165 0.000 2.501 259 N HA -0.059 4.681 4.740 0.001 0.000 0.195 259 N C 1.026 176.727 175.510 0.318 0.000 1.213 259 N CA 0.260 53.467 53.050 0.261 0.000 0.864 259 N CB 0.017 38.672 38.487 0.281 0.000 0.999 259 N HN 0.176 nan 8.380 nan 0.000 0.454 260 L N -0.557 120.667 121.223 0.001 0.000 2.552 260 L HA 0.132 4.473 4.340 0.001 0.000 0.227 260 L C 1.605 178.509 176.870 0.056 0.000 1.146 260 L CA 0.579 55.197 54.840 -0.370 0.000 0.858 260 L CB -1.104 40.511 42.059 -0.739 0.000 0.969 260 L HN 0.242 nan 8.230 nan 0.000 0.451 261 Y N 0.254 120.592 120.300 0.063 0.000 2.128 261 Y HA -0.309 4.242 4.550 0.001 0.000 0.284 261 Y C 2.600 178.587 175.900 0.145 0.000 1.154 261 Y CA 2.095 60.240 58.100 0.074 0.000 1.149 261 Y CB -0.177 38.316 38.460 0.054 0.000 0.976 261 Y HN 0.363 nan 8.280 nan 0.000 0.505 262 S N -0.959 114.941 115.700 0.333 0.000 2.593 262 S HA -0.041 4.429 4.470 0.001 0.000 0.217 262 S C 1.664 176.338 174.600 0.123 0.000 0.966 262 S CA 0.008 58.313 58.200 0.174 0.000 0.914 262 S CB -1.253 62.079 63.200 0.219 0.000 0.776 262 S HN 0.448 nan 8.310 nan 0.000 0.523 263 F N 2.420 122.366 119.950 -0.006 0.000 2.095 263 F HA -0.083 4.444 4.527 0.001 0.000 0.298 263 F C 2.942 178.746 175.800 0.006 0.000 1.104 263 F CA 1.122 59.141 58.000 0.031 0.000 1.232 263 F CB -0.712 38.324 39.000 0.060 0.000 0.987 263 F HN 0.347 nan 8.300 nan 0.000 0.475 264 A N -0.109 122.791 122.820 0.134 0.000 1.859 264 A HA -0.259 4.061 4.320 0.001 0.000 0.217 264 A C 2.200 179.788 177.584 0.008 0.000 1.198 264 A CA 1.840 53.897 52.037 0.033 0.000 0.629 264 A CB -0.689 18.279 19.000 -0.053 0.000 0.830 264 A HN 0.146 nan 8.150 nan 0.000 0.446 265 K N -0.295 120.091 120.400 -0.024 0.000 2.442 265 K HA 0.072 4.392 4.320 0.001 0.000 0.198 265 K C 1.632 178.226 176.600 -0.010 0.000 1.042 265 K CA 0.950 57.224 56.287 -0.021 0.000 0.958 265 K CB -0.339 32.143 32.500 -0.030 0.000 0.766 265 K HN 0.460 nan 8.250 nan 0.000 0.474 266 A N 0.596 123.408 122.820 -0.012 0.000 2.275 266 A HA 0.026 4.347 4.320 0.001 0.000 0.212 266 A C -0.151 177.433 177.584 0.000 0.000 1.201 266 A CA 0.271 52.290 52.037 -0.029 0.000 0.843 266 A CB 0.185 19.125 19.000 -0.100 0.000 0.873 266 A HN 0.318 nan 8.150 nan 0.000 0.492 267 D N -2.797 117.616 120.400 0.023 0.000 3.068 267 D HA -0.181 4.459 4.640 0.001 0.000 0.218 267 D C 0.538 176.881 176.300 0.072 0.000 1.145 267 D CA 1.123 55.144 54.000 0.035 0.000 0.896 267 D CB -1.418 39.396 40.800 0.022 0.000 1.105 267 D HN 0.660 nan 8.370 nan 0.000 0.423 268 A N -0.758 122.140 122.820 0.130 0.000 2.606 268 A HA 0.635 4.956 4.320 0.001 0.000 0.290 268 A C 0.937 178.763 177.584 0.404 0.000 1.174 268 A CA 0.638 52.837 52.037 0.271 0.000 0.958 268 A CB 0.470 19.651 19.000 0.303 0.000 1.194 268 A HN 0.419 nan 8.150 nan 0.000 0.526 269 A N 1.630 124.586 122.820 0.227 0.000 2.548 269 A HA 0.481 4.802 4.320 0.001 0.000 0.247 269 A C -2.273 175.371 177.584 0.100 0.000 1.067 269 A CA -0.595 51.548 52.037 0.177 0.000 0.757 269 A CB -0.552 18.485 19.000 0.061 0.000 0.996 269 A HN 0.290 nan 8.150 nan 0.000 0.504 270 P HA -0.060 nan 4.420 nan 0.000 0.266 270 P C 0.290 177.549 177.300 -0.068 0.000 1.186 270 P CA 0.360 63.464 63.100 0.007 0.000 0.767 270 P CB 0.582 32.294 31.700 0.020 0.000 0.820 271 D N 1.860 122.176 120.400 -0.140 0.000 2.216 271 D HA 0.058 4.698 4.640 0.001 0.000 0.208 271 D C 0.066 176.338 176.300 -0.046 0.000 0.960 271 D CA 0.824 54.755 54.000 -0.116 0.000 0.861 271 D CB 0.222 40.910 40.800 -0.187 0.000 0.985 271 D HN 0.217 nan 8.370 nan 0.000 0.493 272 L N 0.254 121.462 121.223 -0.025 0.000 2.513 272 L HA 0.439 4.779 4.340 0.001 0.000 0.261 272 L C -1.857 175.037 176.870 0.040 0.000 0.945 272 L CA -0.742 54.108 54.840 0.018 0.000 0.848 272 L CB 2.166 44.242 42.059 0.028 0.000 1.334 272 L HN -0.209 nan 8.230 nan 0.000 0.407 273 V N 5.444 125.384 119.914 0.043 0.000 2.531 273 V HA 0.614 4.735 4.120 0.001 0.000 0.301 273 V C -1.214 174.906 176.094 0.044 0.000 1.034 273 V CA -0.417 61.906 62.300 0.038 0.000 0.865 273 V CB 1.781 33.599 31.823 -0.008 0.000 0.995 273 V HN 0.803 nan 8.190 nan 0.000 0.424 277 G N 0.730 109.501 108.800 -0.048 0.000 2.176 277 G HA2 -0.165 3.796 3.960 0.001 0.000 0.253 277 G HA3 -0.165 3.796 3.960 0.001 0.000 0.253 277 G C 0.307 175.165 174.900 -0.070 0.000 0.979 277 G CA 0.158 45.227 45.100 -0.051 0.000 0.641 277 G HN 0.890 nan 8.290 nan 0.000 0.530 278 A N 0.550 123.314 122.820 -0.093 0.000 2.276 278 A HA 0.788 5.108 4.320 0.001 0.000 0.300 278 A C 0.684 178.166 177.584 -0.169 0.000 1.235 278 A CA -0.182 51.784 52.037 -0.120 0.000 0.867 278 A CB 0.383 19.303 19.000 -0.133 0.000 1.137 278 A HN 0.479 nan 8.150 nan 0.000 0.527 279 R N 1.086 121.526 120.500 -0.100 0.000 2.532 279 R HA 0.436 4.777 4.340 0.001 0.000 0.272 279 R C -1.113 175.120 176.300 -0.112 0.000 1.032 279 R CA -0.375 55.689 56.100 -0.059 0.000 1.089 279 R CB 0.806 31.164 30.300 0.097 0.000 1.098 279 R HN 0.659 nan 8.270 nan 0.000 0.526 280 F N 0.631 120.604 119.950 0.039 0.000 2.467 280 F HA 0.379 4.907 4.527 0.001 0.000 0.362 280 F C 1.269 177.072 175.800 0.005 0.000 1.090 280 F CA 1.119 59.131 58.000 0.020 0.000 1.202 280 F CB 1.248 40.265 39.000 0.029 0.000 1.113 280 F HN 0.658 nan 8.300 nan 0.000 0.541 281 G N 2.139 111.006 108.800 0.113 0.000 2.333 281 G HA2 0.123 4.084 3.960 0.001 0.000 0.288 281 G HA3 0.123 4.084 3.960 0.001 0.000 0.288 281 G C -0.253 174.433 174.900 -0.357 0.000 1.286 281 G CA -0.588 44.462 45.100 -0.084 0.000 0.865 281 G HN 0.612 nan 8.290 nan 0.000 0.506 282 L N 0.571 121.549 121.223 -0.409 0.000 2.010 282 L HA -0.139 4.201 4.340 0.001 0.000 0.219 282 L C 2.217 178.946 176.870 -0.235 0.000 1.077 282 L CA 3.185 57.806 54.840 -0.364 0.000 0.773 282 L CB -0.518 41.534 42.059 -0.012 0.000 0.892 282 L HN 0.570 nan 8.230 nan 0.000 0.436 283 N N -1.204 117.476 118.700 -0.032 0.000 2.409 283 N HA -0.060 4.680 4.740 0.001 0.000 0.179 283 N C 1.373 176.803 175.510 -0.133 0.000 1.032 283 N CA 1.463 54.454 53.050 -0.099 0.000 0.898 283 N CB -0.310 38.104 38.487 -0.121 0.000 0.971 283 N HN 0.673 nan 8.380 nan 0.000 0.441 284 T N -3.502 110.978 114.554 -0.123 0.000 3.105 284 T HA 0.378 4.728 4.350 0.001 0.000 0.253 284 T C 1.109 175.764 174.700 -0.075 0.000 1.047 284 T CA 0.173 62.206 62.100 -0.111 0.000 0.944 284 T CB 0.386 69.174 68.868 -0.132 0.000 1.016 284 T HN 0.203 nan 8.240 nan 0.000 0.544 285 G N 1.735 110.444 108.800 -0.153 0.000 2.171 285 G HA2 -0.246 3.714 3.960 0.001 0.000 0.238 285 G HA3 -0.246 3.714 3.960 0.001 0.000 0.238 285 G C 0.251 175.160 174.900 0.015 0.000 1.039 285 G CA 0.396 45.447 45.100 -0.082 0.000 0.759 285 G HN 0.914 nan 8.290 nan 0.000 0.501 286 H N -1.832 117.300 119.070 0.104 0.000 1.452 286 H HA -0.246 4.311 4.556 0.001 0.000 0.090 286 H C 1.966 177.384 175.328 0.149 0.000 0.973 286 H CA 2.320 58.432 56.048 0.107 0.000 1.901 286 H CB -1.207 28.583 29.762 0.048 0.000 2.257 286 H HN 1.183 nan 8.280 nan 0.000 0.961 287 G N -0.816 108.129 108.800 0.241 0.000 3.575 287 G HA2 0.239 4.200 3.960 0.001 0.000 0.273 287 G HA3 0.239 4.200 3.960 0.001 0.000 0.273 287 G C 1.070 176.105 174.900 0.226 0.000 1.053 287 G CA 0.573 45.752 45.100 0.132 0.000 0.803 287 G HN 0.686 nan 8.290 nan 0.000 0.528 288 S N -0.355 115.456 115.700 0.186 0.000 2.447 288 S HA 0.218 4.688 4.470 0.001 0.000 0.233 288 S C 2.089 176.641 174.600 -0.081 0.000 1.006 288 S CA 1.139 59.412 58.200 0.122 0.000 0.957 288 S CB -0.274 62.996 63.200 0.116 0.000 0.773 288 S HN 1.431 nan 8.310 nan 0.000 0.507 289 G N 1.010 109.696 108.800 -0.189 0.000 2.153 289 G HA2 -0.317 3.643 3.960 0.001 0.000 0.252 289 G HA3 -0.317 3.643 3.960 0.001 0.000 0.252 289 G C 0.641 175.364 174.900 -0.294 0.000 0.994 289 G CA 0.598 45.373 45.100 -0.541 0.000 0.698 289 G HN 0.603 nan 8.290 nan 0.000 0.521 290 Q N -1.037 118.679 119.800 -0.140 0.000 2.311 290 Q HA 0.263 4.603 4.340 0.001 0.000 0.203 290 Q C 2.495 178.430 176.000 -0.109 0.000 0.954 290 Q CA 1.180 56.910 55.803 -0.123 0.000 0.885 290 Q CB 0.119 28.854 28.738 -0.005 0.000 0.963 290 Q HN 0.694 nan 8.270 nan 0.000 0.471 291 L N -0.775 120.401 121.223 -0.078 0.000 2.638 291 L HA 0.193 4.534 4.340 0.001 0.000 0.195 291 L C 0.421 177.204 176.870 -0.146 0.000 1.065 291 L CA -0.115 54.656 54.840 -0.116 0.000 0.859 291 L CB 0.563 42.566 42.059 -0.094 0.000 1.269 291 L HN 0.062 nan 8.230 nan 0.000 0.484 292 I N 2.503 123.031 120.570 -0.070 0.000 2.310 292 I HA 0.292 4.463 4.170 0.001 0.000 0.287 292 I C -2.362 173.747 176.117 -0.014 0.000 1.073 292 I CA -2.393 58.897 61.300 -0.016 0.000 1.216 292 I CB -0.069 37.999 38.000 0.115 0.000 1.415 292 I HN -0.203 nan 8.210 nan 0.000 0.480 293 P HA 0.071 nan 4.420 nan 0.000 0.268 293 P C 0.825 178.129 177.300 0.006 0.000 1.205 293 P CA 0.084 63.131 63.100 -0.089 0.000 0.771 293 P CB 0.476 32.147 31.700 -0.048 0.000 0.858 294 H N 0.993 120.068 119.070 0.009 0.000 2.422 294 H HA -0.106 4.451 4.556 0.001 0.000 0.298 294 H C 1.784 177.113 175.328 0.000 0.000 1.098 294 H CA 2.131 58.179 56.048 0.000 0.000 1.315 294 H CB -0.905 28.850 29.762 -0.012 0.000 1.382 294 H HN 0.449 nan 8.280 nan 0.000 0.523 295 S N -0.088 115.676 115.700 0.108 0.000 2.515 295 S HA 0.222 4.692 4.470 0.001 0.000 0.231 295 S C 1.261 175.883 174.600 0.037 0.000 0.987 295 S CA 0.121 58.355 58.200 0.056 0.000 0.936 295 S CB -0.063 63.154 63.200 0.029 0.000 0.766 295 S HN 0.428 nan 8.310 nan 0.000 0.528 296 A N 1.280 124.125 122.820 0.043 0.000 2.316 296 A HA 0.483 4.803 4.320 0.001 0.000 0.284 296 A C 0.094 177.706 177.584 0.047 0.000 1.115 296 A CA -0.677 51.378 52.037 0.030 0.000 0.812 296 A CB 0.330 19.344 19.000 0.023 0.000 1.064 296 A HN 0.499 nan 8.150 nan 0.000 0.489 297 Q N 0.557 120.378 119.800 0.035 0.000 2.296 297 Q HA 0.393 4.734 4.340 0.001 0.000 0.262 297 Q C -0.931 175.106 176.000 0.062 0.000 0.981 297 Q CA -0.038 55.793 55.803 0.046 0.000 0.905 297 Q CB 1.183 29.942 28.738 0.036 0.000 1.186 297 Q HN 0.479 nan 8.270 nan 0.000 0.399 298 V N 5.175 125.138 119.914 0.082 0.000 2.417 298 V HA 0.398 4.519 4.120 0.001 0.000 0.291 298 V C -0.207 175.938 176.094 0.085 0.000 1.024 298 V CA -0.592 61.767 62.300 0.099 0.000 0.861 298 V CB 1.459 33.387 31.823 0.175 0.000 0.985 298 V HN 0.627 nan 8.190 nan 0.000 0.436 299 I N 4.725 125.336 120.570 0.068 0.000 2.330 299 I HA 0.455 4.625 4.170 0.001 0.000 0.289 299 I C -0.066 176.075 176.117 0.041 0.000 1.001 299 I CA -0.113 61.221 61.300 0.057 0.000 1.193 299 I CB 1.299 39.332 38.000 0.056 0.000 1.345 299 I HN 0.607 nan 8.210 nan 0.000 0.461 300 Q N 5.778 125.605 119.800 0.045 0.000 2.331 300 Q HA 0.574 4.914 4.340 0.001 0.000 0.267 300 Q C -1.648 174.361 176.000 0.015 0.000 1.006 300 Q CA -0.648 55.168 55.803 0.021 0.000 0.818 300 Q CB 2.398 31.170 28.738 0.057 0.000 1.276 300 Q HN 0.504 nan 8.270 nan 0.000 0.450 301 V N 4.144 124.055 119.914 -0.006 0.000 2.350 301 V HA 0.404 4.524 4.120 0.001 0.000 0.285 301 V C -1.029 175.057 176.094 -0.013 0.000 1.014 301 V CA -0.514 61.781 62.300 -0.008 0.000 0.831 301 V CB 1.601 33.414 31.823 -0.018 0.000 1.000 301 V HN 0.841 nan 8.190 nan 0.000 0.433 302 D N 5.299 125.697 120.400 -0.003 0.000 2.857 302 D HA 0.509 5.150 4.640 0.001 0.000 0.227 302 D C -1.897 174.403 176.300 0.000 0.000 1.192 302 D CA -1.316 52.680 54.000 -0.006 0.000 0.857 302 D CB 3.490 44.291 40.800 0.001 0.000 1.645 302 D HN 0.231 nan 8.370 nan 0.000 0.482 303 P HA -0.054 nan 4.420 nan 0.000 0.223 303 P C -0.234 177.070 177.300 0.007 0.000 1.151 303 P CA 0.718 63.819 63.100 0.000 0.000 0.787 303 P CB 0.299 31.997 31.700 -0.003 0.000 0.788 304 D N -0.267 120.138 120.400 0.007 0.000 2.349 304 D HA 0.351 4.991 4.640 0.001 0.000 0.232 304 D C 1.097 177.413 176.300 0.026 0.000 1.071 304 D CA -0.619 53.391 54.000 0.016 0.000 0.832 304 D CB 1.492 42.297 40.800 0.009 0.000 1.086 304 D HN -0.151 nan 8.370 nan 0.000 0.504 305 A N 3.211 126.049 122.820 0.029 0.000 2.076 305 A HA -0.164 4.156 4.320 0.001 0.000 0.220 305 A C 2.342 179.951 177.584 0.042 0.000 1.160 305 A CA 0.942 52.999 52.037 0.034 0.000 0.653 305 A CB -0.547 18.471 19.000 0.029 0.000 0.801 305 A HN 0.761 nan 8.150 nan 0.000 0.455 306 C N -0.457 118.869 119.300 0.043 0.000 2.425 306 C HA -0.073 4.387 4.460 0.001 0.000 0.277 306 C C 2.611 177.640 174.990 0.064 0.000 1.280 306 C CA 1.149 60.197 59.018 0.049 0.000 1.744 306 C CB -0.925 26.845 27.740 0.050 0.000 1.989 306 C HN 0.603 nan 8.230 nan 0.000 0.491 307 E N 0.426 120.667 120.200 0.068 0.000 2.153 307 E HA -0.039 4.312 4.350 0.001 0.000 0.194 307 E C 0.581 177.272 176.600 0.151 0.000 0.988 307 E CA 0.467 56.929 56.400 0.102 0.000 0.811 307 E CB -0.428 29.315 29.700 0.071 0.000 0.746 307 E HN 0.397 nan 8.360 nan 0.000 0.466 308 L N 1.302 122.592 121.223 0.112 0.000 2.742 308 L HA 0.038 4.378 4.340 0.001 0.000 0.275 308 L C 1.302 178.261 176.870 0.148 0.000 1.141 308 L CA 1.214 56.131 54.840 0.129 0.000 0.987 308 L CB -0.995 41.111 42.059 0.079 0.000 1.319 308 L HN 0.317 nan 8.230 nan 0.000 0.478 309 G N 3.264 112.222 108.800 0.264 0.000 2.221 309 G HA2 -0.391 3.570 3.960 0.001 0.000 0.265 309 G HA3 -0.391 3.570 3.960 0.001 0.000 0.265 309 G C 1.312 176.180 174.900 -0.055 0.000 1.041 309 G CA 0.813 45.969 45.100 0.092 0.000 0.807 309 G HN 0.786 nan 8.290 nan 0.000 0.502 310 R N -0.668 119.866 120.500 0.056 0.000 2.096 310 R HA 0.178 4.518 4.340 0.001 0.000 0.235 310 R C 1.948 178.184 176.300 -0.107 0.000 1.127 310 R CA 1.903 58.008 56.100 0.008 0.000 0.968 310 R CB -0.230 30.121 30.300 0.086 0.000 0.861 310 R HN 0.495 nan 8.270 nan 0.000 0.440 311 L N -0.729 120.324 121.223 -0.283 0.000 2.766 311 L HA 0.345 4.685 4.340 0.001 0.000 0.242 311 L C 0.188 176.806 176.870 -0.420 0.000 1.136 311 L CA -0.249 54.421 54.840 -0.283 0.000 0.933 311 L CB 0.486 42.469 42.059 -0.127 0.000 1.241 311 L HN 0.302 nan 8.230 nan 0.000 0.522 312 Q N -0.323 119.105 119.800 -0.621 0.000 2.503 312 Q HA 0.382 4.722 4.340 0.001 0.000 0.268 312 Q C -0.581 175.202 176.000 -0.361 0.000 0.982 312 Q CA -0.540 54.954 55.803 -0.515 0.000 0.907 312 Q CB 2.100 30.417 28.738 -0.702 0.000 1.467 312 Q HN 0.127 nan 8.270 nan 0.000 0.394 313 G N 3.105 111.790 108.800 -0.191 0.000 2.380 313 G HA2 0.397 4.358 3.960 0.001 0.000 0.242 313 G HA3 0.397 4.358 3.960 0.001 0.000 0.242 313 G C 0.035 174.924 174.900 -0.019 0.000 1.298 313 G CA -0.003 45.042 45.100 -0.092 0.000 0.878 313 G HN 0.612 nan 8.290 nan 0.000 0.542 314 I N -0.456 120.128 120.570 0.023 0.000 3.067 314 I HA 0.797 4.968 4.170 0.001 0.000 0.312 314 I C 0.824 176.974 176.117 0.054 0.000 1.073 314 I CA -1.292 60.056 61.300 0.080 0.000 1.016 314 I CB 2.242 40.328 38.000 0.143 0.000 1.227 314 I HN 0.441 nan 8.210 nan 0.000 0.456 315 A N 2.795 125.652 122.820 0.061 0.000 1.997 315 A HA 0.444 4.764 4.320 0.001 0.000 0.212 315 A C 0.399 178.008 177.584 0.041 0.000 1.178 315 A CA 0.643 52.706 52.037 0.044 0.000 0.698 315 A CB 0.099 19.125 19.000 0.044 0.000 0.842 315 A HN 0.659 nan 8.150 nan 0.000 0.458 316 L N -1.179 120.074 121.223 0.050 0.000 2.516 316 L HA 0.678 5.018 4.340 0.001 0.000 0.267 316 L C -0.546 176.353 176.870 0.048 0.000 0.957 316 L CA -0.084 54.781 54.840 0.043 0.000 0.860 316 L CB 1.593 43.676 42.059 0.040 0.000 1.265 316 L HN 0.101 nan 8.230 nan 0.000 0.403 317 G N 5.937 114.762 108.800 0.042 0.000 2.533 317 G HA2 0.635 4.596 3.960 0.001 0.000 0.310 317 G HA3 0.635 4.596 3.960 0.001 0.000 0.310 317 G C -1.016 173.902 174.900 0.031 0.000 1.266 317 G CA -0.297 44.830 45.100 0.044 0.000 0.967 317 G HN 0.543 nan 8.290 nan 0.000 0.493 318 I N 2.827 123.412 120.570 0.026 0.000 2.382 318 I HA 0.228 4.398 4.170 0.001 0.000 0.286 318 I C -0.080 176.044 176.117 0.012 0.000 1.002 318 I CA -1.089 60.220 61.300 0.015 0.000 1.135 318 I CB 2.235 40.239 38.000 0.007 0.000 1.288 318 I HN 0.251 nan 8.210 nan 0.000 0.448 319 V N 7.243 127.164 119.914 0.012 0.000 2.368 319 V HA 0.883 5.004 4.120 0.001 0.000 0.266 319 V C -0.030 176.066 176.094 0.003 0.000 1.045 319 V CA 0.276 62.581 62.300 0.009 0.000 0.899 319 V CB 0.531 32.362 31.823 0.013 0.000 1.006 319 V HN 0.870 nan 8.190 nan 0.000 0.470 320 A N 4.359 127.179 122.820 -0.001 0.000 2.586 320 A HA 0.584 4.904 4.320 0.001 0.000 0.290 320 A C -1.060 176.519 177.584 -0.007 0.000 1.086 320 A CA -0.555 51.479 52.037 -0.005 0.000 0.665 320 A CB 1.169 20.163 19.000 -0.011 0.000 1.279 320 A HN 0.885 nan 8.150 nan 0.000 0.423 321 D N -0.223 120.174 120.400 -0.006 0.000 2.382 321 D HA 0.363 5.003 4.640 0.001 0.000 0.245 321 D C 1.096 177.387 176.300 -0.015 0.000 1.120 321 D CA 0.177 54.173 54.000 -0.007 0.000 0.890 321 D CB 1.216 42.017 40.800 0.001 0.000 1.201 321 D HN 0.187 nan 8.370 nan 0.000 0.433 322 V N 3.713 123.617 119.914 -0.017 0.000 2.358 322 V HA -0.054 4.066 4.120 0.001 0.000 0.246 322 V C 2.278 178.357 176.094 -0.024 0.000 1.047 322 V CA 2.157 64.443 62.300 -0.024 0.000 1.035 322 V CB -0.829 30.980 31.823 -0.023 0.000 0.658 322 V HN 0.833 nan 8.190 nan 0.000 0.452 323 G N 0.089 108.880 108.800 -0.014 0.000 2.421 323 G HA2 -0.170 3.791 3.960 0.001 0.000 0.216 323 G HA3 -0.170 3.791 3.960 0.001 0.000 0.216 323 G C 1.636 176.532 174.900 -0.005 0.000 1.171 323 G CA 0.969 46.064 45.100 -0.007 0.000 0.775 323 G HN 0.579 nan 8.290 nan 0.000 0.543 324 G N 0.096 108.896 108.800 0.001 0.000 2.418 324 G HA2 -0.128 3.833 3.960 0.001 0.000 0.217 324 G HA3 -0.128 3.833 3.960 0.001 0.000 0.217 324 G C 1.849 176.728 174.900 -0.035 0.000 1.158 324 G CA 1.751 46.851 45.100 -0.000 0.000 0.771 324 G HN 0.387 nan 8.290 nan 0.000 0.545 325 T N 1.453 115.978 114.554 -0.048 0.000 2.674 325 T HA -0.070 4.280 4.350 0.001 0.000 0.265 325 T C 2.388 177.003 174.700 -0.142 0.000 1.039 325 T CA 1.070 63.120 62.100 -0.085 0.000 1.150 325 T CB -0.209 68.615 68.868 -0.074 0.000 0.864 325 T HN 0.238 nan 8.240 nan 0.000 0.427 326 I N 0.777 121.274 120.570 -0.123 0.000 2.151 326 I HA -0.241 3.930 4.170 0.001 0.000 0.243 326 I C 2.713 178.748 176.117 -0.137 0.000 1.080 326 I CA 1.474 62.685 61.300 -0.149 0.000 1.339 326 I CB -0.375 37.590 38.000 -0.057 0.000 1.039 326 I HN 0.244 nan 8.210 nan 0.000 0.409 327 E N 0.825 120.981 120.200 -0.073 0.000 2.049 327 E HA -0.256 4.094 4.350 0.001 0.000 0.198 327 E C 2.226 178.781 176.600 -0.076 0.000 1.007 327 E CA 1.865 58.234 56.400 -0.051 0.000 0.809 327 E CB -0.243 29.446 29.700 -0.018 0.000 0.749 327 E HN 0.493 nan 8.360 nan 0.000 0.450 328 A N 0.178 122.942 122.820 -0.093 0.000 1.908 328 A HA -0.183 4.138 4.320 0.001 0.000 0.218 328 A C 2.222 179.727 177.584 -0.132 0.000 1.181 328 A CA 1.391 53.373 52.037 -0.091 0.000 0.627 328 A CB -0.738 18.215 19.000 -0.080 0.000 0.818 328 A HN 0.264 nan 8.150 nan 0.000 0.445 329 L N -0.804 120.259 121.223 -0.267 0.000 2.017 329 L HA -0.212 4.128 4.340 0.001 0.000 0.208 329 L C 3.125 179.829 176.870 -0.276 0.000 1.073 329 L CA 1.138 55.687 54.840 -0.484 0.000 0.745 329 L CB -0.601 40.740 42.059 -1.197 0.000 0.894 329 L HN 0.435 nan 8.230 nan 0.000 0.432 330 A N -0.506 122.217 122.820 -0.161 0.000 1.883 330 A HA -0.270 4.050 4.320 0.001 0.000 0.217 330 A C 2.241 179.848 177.584 0.038 0.000 1.186 330 A CA 1.767 53.823 52.037 0.032 0.000 0.624 330 A CB -0.520 18.503 19.000 0.038 0.000 0.822 330 A HN 0.489 nan 8.150 nan 0.000 0.444 331 Q N -0.866 118.935 119.800 0.002 0.000 2.046 331 Q HA -0.089 4.252 4.340 0.001 0.000 0.200 331 Q C 2.461 178.487 176.000 0.044 0.000 0.975 331 Q CA 1.329 57.142 55.803 0.017 0.000 0.836 331 Q CB -0.389 28.347 28.738 -0.004 0.000 0.896 331 Q HN 0.682 nan 8.270 nan 0.000 0.428 332 A N 0.103 122.948 122.820 0.042 0.000 1.978 332 A HA -0.182 4.138 4.320 0.001 0.000 0.220 332 A C 2.164 179.847 177.584 0.166 0.000 1.170 332 A CA 1.918 54.007 52.037 0.086 0.000 0.636 332 A CB -0.666 18.381 19.000 0.078 0.000 0.810 332 A HN 0.295 nan 8.150 nan 0.000 0.448 333 T N -1.115 113.550 114.554 0.184 0.000 3.054 333 T HA 0.279 4.629 4.350 0.001 0.000 0.259 333 T C 1.984 176.806 174.700 0.204 0.000 1.092 333 T CA 0.961 63.224 62.100 0.271 0.000 1.121 333 T CB -0.255 68.780 68.868 0.278 0.000 0.912 333 T HN 0.526 nan 8.240 nan 0.000 0.489 334 A N 0.900 123.800 122.820 0.132 0.000 1.972 334 A HA -0.051 4.269 4.320 0.001 0.000 0.219 334 A C 2.042 179.688 177.584 0.102 0.000 1.169 334 A CA 1.105 53.201 52.037 0.099 0.000 0.635 334 A CB -0.226 18.814 19.000 0.066 0.000 0.810 334 A HN 0.341 nan 8.150 nan 0.000 0.446 335 Q N -0.232 119.632 119.800 0.107 0.000 2.247 335 Q HA 0.117 4.458 4.340 0.001 0.000 0.205 335 Q C 0.152 176.217 176.000 0.108 0.000 0.896 335 Q CA 0.321 56.177 55.803 0.088 0.000 0.950 335 Q CB 0.248 29.025 28.738 0.064 0.000 1.054 335 Q HN 0.658 nan 8.270 nan 0.000 0.482 336 D N -0.186 120.319 120.400 0.175 0.000 2.949 336 D HA 0.244 4.884 4.640 0.001 0.000 0.247 336 D C 0.399 176.803 176.300 0.172 0.000 1.552 336 D CA 1.323 55.440 54.000 0.195 0.000 1.231 336 D CB 0.306 41.352 40.800 0.409 0.000 0.990 336 D HN -0.067 nan 8.370 nan 0.000 0.270 337 A N -0.383 122.642 122.820 0.341 0.000 2.861 337 A HA -0.110 4.211 4.320 0.001 0.000 0.261 337 A C 0.568 178.247 177.584 0.157 0.000 1.351 337 A CA 1.426 53.638 52.037 0.292 0.000 0.904 337 A CB -2.193 16.900 19.000 0.155 0.000 1.076 337 A HN 0.572 nan 8.150 nan 0.000 0.729 338 A N -0.982 121.816 122.820 -0.036 0.000 3.056 338 A HA 0.558 4.879 4.320 0.001 0.000 0.328 338 A C -0.588 176.744 177.584 -0.420 0.000 1.233 338 A CA -0.177 51.758 52.037 -0.169 0.000 0.965 338 A CB -0.225 18.652 19.000 -0.204 0.000 1.123 338 A HN 0.896 nan 8.150 nan 0.000 0.502 339 W N 2.175 123.484 121.300 0.014 0.000 2.532 339 W HA 0.519 5.179 4.660 0.001 0.000 0.321 339 W C -1.991 174.535 176.519 0.011 0.000 1.037 339 W CA -2.004 55.348 57.345 0.013 0.000 1.220 339 W CB 1.120 30.583 29.460 0.005 0.000 1.361 339 W HN 0.409 nan 8.180 nan 0.000 0.468 340 P HA -0.085 nan 4.420 nan 0.000 0.266 340 P C 0.468 177.860 177.300 0.155 0.000 1.193 340 P CA 0.375 63.556 63.100 0.136 0.000 0.770 340 P CB 1.153 32.919 31.700 0.111 0.000 0.836 341 D N 1.911 122.375 120.400 0.107 0.000 2.156 341 D HA -0.260 4.380 4.640 0.001 0.000 0.190 341 D C 0.699 177.064 176.300 0.108 0.000 0.998 341 D CA 1.779 55.836 54.000 0.095 0.000 0.842 341 D CB 0.111 40.955 40.800 0.072 0.000 0.974 341 D HN 0.282 nan 8.370 nan 0.000 0.447 342 R N -2.099 118.480 120.500 0.132 0.000 3.922 342 R HA -0.151 4.189 4.340 0.001 0.000 0.447 342 R C 1.475 177.870 176.300 0.159 0.000 1.035 342 R CA 0.929 57.142 56.100 0.189 0.000 1.289 342 R CB -2.539 27.883 30.300 0.203 0.000 1.906 342 R HN 0.427 nan 8.270 nan 0.000 0.540 343 G N 1.125 109.984 108.800 0.098 0.000 2.459 343 G HA2 -0.310 3.651 3.960 0.001 0.000 0.217 343 G HA3 -0.310 3.651 3.960 0.001 0.000 0.217 343 G C 1.099 176.040 174.900 0.069 0.000 1.183 343 G CA 1.264 46.399 45.100 0.058 0.000 0.776 343 G HN 0.316 nan 8.290 nan 0.000 0.552 344 D N -0.592 119.869 120.400 0.100 0.000 2.106 344 D HA -0.137 4.503 4.640 0.001 0.000 0.191 344 D C 1.863 178.276 176.300 0.189 0.000 0.997 344 D CA 0.852 54.923 54.000 0.118 0.000 0.834 344 D CB -0.501 40.372 40.800 0.121 0.000 0.956 344 D HN 0.579 nan 8.370 nan 0.000 0.448 345 W N 0.984 122.307 121.300 0.039 0.000 2.335 345 W HA -0.265 4.395 4.660 0.001 0.000 0.311 345 W C 2.033 178.596 176.519 0.073 0.000 1.213 345 W CA 0.871 58.254 57.345 0.063 0.000 1.274 345 W CB -0.415 29.088 29.460 0.072 0.000 1.148 345 W HN 0.013 nan 8.180 nan 0.000 0.498 346 C N 0.929 120.160 119.300 -0.116 0.000 2.413 346 C HA -0.147 4.313 4.460 0.001 0.000 0.276 346 C C 3.185 178.055 174.990 -0.201 0.000 1.248 346 C CA 1.776 60.641 59.018 -0.255 0.000 1.742 346 C CB -1.614 26.048 27.740 -0.130 0.000 2.017 346 C HN 0.514 nan 8.230 nan 0.000 0.481 347 A N 0.276 123.038 122.820 -0.097 0.000 1.930 347 A HA -0.195 4.125 4.320 0.001 0.000 0.217 347 A C 2.062 179.591 177.584 -0.091 0.000 1.175 347 A CA 2.162 54.154 52.037 -0.075 0.000 0.627 347 A CB -0.442 18.541 19.000 -0.028 0.000 0.815 347 A HN 0.552 nan 8.150 nan 0.000 0.443 348 K N -0.094 120.253 120.400 -0.088 0.000 2.025 348 K HA -0.047 4.274 4.320 0.001 0.000 0.207 348 K C 1.702 178.173 176.600 -0.215 0.000 1.049 348 K CA 1.709 57.936 56.287 -0.100 0.000 0.933 348 K CB -0.650 31.877 32.500 0.044 0.000 0.714 348 K HN 0.168 nan 8.250 nan 0.000 0.438 349 V N 0.508 120.224 119.914 -0.330 0.000 2.255 349 V HA -0.307 3.813 4.120 0.001 0.000 0.247 349 V C 2.194 178.246 176.094 -0.070 0.000 1.051 349 V CA 2.443 64.645 62.300 -0.165 0.000 1.018 349 V CB -0.883 30.727 31.823 -0.354 0.000 0.641 349 V HN 0.477 nan 8.190 nan 0.000 0.445 350 T N -0.415 114.057 114.554 -0.137 0.000 2.665 350 T HA -0.232 4.119 4.350 0.001 0.000 0.268 350 T C 1.631 176.288 174.700 -0.071 0.000 1.035 350 T CA 1.993 64.030 62.100 -0.104 0.000 1.151 350 T CB -0.420 68.379 68.868 -0.115 0.000 0.862 350 T HN 0.515 nan 8.240 nan 0.000 0.438 351 D N 0.603 120.953 120.400 -0.083 0.000 2.144 351 D HA 0.030 4.671 4.640 0.001 0.000 0.200 351 D C 2.119 178.377 176.300 -0.070 0.000 0.978 351 D CA 0.577 54.537 54.000 -0.068 0.000 0.833 351 D CB -0.345 40.415 40.800 -0.067 0.000 0.961 351 D HN 0.337 nan 8.370 nan 0.000 0.470 352 L N 0.586 121.733 121.223 -0.128 0.000 2.005 352 L HA -0.131 4.210 4.340 0.001 0.000 0.207 352 L C 2.542 179.418 176.870 0.009 0.000 1.072 352 L CA 1.260 56.011 54.840 -0.148 0.000 0.744 352 L CB -0.536 41.231 42.059 -0.487 0.000 0.895 352 L HN -0.026 nan 8.230 nan 0.000 0.433 353 A N -0.273 122.596 122.820 0.082 0.000 1.917 353 A HA -0.319 4.001 4.320 0.001 0.000 0.219 353 A C 2.221 179.870 177.584 0.109 0.000 1.182 353 A CA 2.170 54.287 52.037 0.134 0.000 0.633 353 A CB -0.648 18.417 19.000 0.109 0.000 0.819 353 A HN 0.449 nan 8.150 nan 0.000 0.448 354 Q N 0.036 119.867 119.800 0.052 0.000 2.124 354 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 354 Q C 1.896 177.967 176.000 0.118 0.000 0.977 354 Q CA 2.318 58.155 55.803 0.057 0.000 0.850 354 Q CB -0.422 28.316 28.738 -0.001 0.000 0.901 354 Q HN 0.759 nan 8.270 nan 0.000 0.429 355 E N -0.363 119.881 120.200 0.073 0.000 2.072 355 E HA -0.203 4.147 4.350 0.001 0.000 0.191 355 E C 2.067 178.716 176.600 0.081 0.000 0.985 355 E CA 0.709 57.145 56.400 0.061 0.000 0.801 355 E CB -0.117 29.593 29.700 0.017 0.000 0.750 355 E HN 0.332 nan 8.360 nan 0.000 0.452 356 R N -0.313 120.248 120.500 0.102 0.000 2.083 356 R HA -0.214 4.126 4.340 0.001 0.000 0.237 356 R C 2.275 178.642 176.300 0.112 0.000 1.137 356 R CA 1.716 57.877 56.100 0.101 0.000 0.951 356 R CB -0.498 29.881 30.300 0.132 0.000 0.851 356 R HN 0.290 nan 8.270 nan 0.000 0.434 357 Y N 0.499 120.837 120.300 0.063 0.000 2.145 357 Y HA -0.201 4.349 4.550 0.001 0.000 0.286 357 Y C 2.195 178.142 175.900 0.078 0.000 1.145 357 Y CA 2.031 60.199 58.100 0.113 0.000 1.148 357 Y CB -0.327 38.222 38.460 0.147 0.000 0.981 357 Y HN 0.215 nan 8.280 nan 0.000 0.507 358 A N -1.267 121.691 122.820 0.229 0.000 1.969 358 A HA -0.151 4.169 4.320 0.001 0.000 0.218 358 A C 2.416 179.995 177.584 -0.009 0.000 1.169 358 A CA 1.603 53.714 52.037 0.123 0.000 0.635 358 A CB -1.241 17.840 19.000 0.135 0.000 0.810 358 A HN 0.512 nan 8.150 nan 0.000 0.445 359 S N -0.100 115.588 115.700 -0.020 0.000 2.353 359 S HA -0.156 4.315 4.470 0.001 0.000 0.222 359 S C 1.919 176.424 174.600 -0.159 0.000 1.035 359 S CA 1.664 59.828 58.200 -0.060 0.000 1.025 359 S CB -0.436 62.745 63.200 -0.031 0.000 0.902 359 S HN 0.365 nan 8.310 nan 0.000 0.440 360 I N 2.514 122.923 120.570 -0.270 0.000 2.163 360 I HA -0.130 4.040 4.170 0.001 0.000 0.243 360 I C 2.889 178.598 176.117 -0.679 0.000 1.085 360 I CA 1.408 62.393 61.300 -0.525 0.000 1.347 360 I CB -2.095 35.406 38.000 -0.830 0.000 1.044 360 I HN 0.385 nan 8.210 nan 0.000 0.408 361 A N 0.757 123.236 122.820 -0.569 0.000 1.978 361 A HA -0.086 4.234 4.320 0.001 0.000 0.220 361 A C 2.433 179.944 177.584 -0.122 0.000 1.170 361 A CA 1.813 53.715 52.037 -0.224 0.000 0.636 361 A CB -0.768 18.249 19.000 0.028 0.000 0.810 361 A HN 0.437 nan 8.150 nan 0.000 0.448 362 A N -1.097 121.650 122.820 -0.122 0.000 2.168 362 A HA 0.080 4.401 4.320 0.001 0.000 0.215 362 A C 0.976 178.508 177.584 -0.087 0.000 1.152 362 A CA 1.208 53.205 52.037 -0.067 0.000 0.716 362 A CB -0.127 18.847 19.000 -0.044 0.000 0.794 362 A HN 0.394 nan 8.150 nan 0.000 0.465 363 K N 0.479 120.782 120.400 -0.162 0.000 3.084 363 K HA 0.436 4.756 4.320 0.001 0.000 0.172 363 K C -1.117 175.307 176.600 -0.293 0.000 1.078 363 K CA 0.166 56.366 56.287 -0.145 0.000 0.875 363 K CB 1.244 33.693 32.500 -0.086 0.000 1.064 363 K HN 0.114 nan 8.250 nan 0.000 0.597 364 S N -0.328 115.156 115.700 -0.360 0.000 2.540 364 S HA 0.650 5.120 4.470 0.001 0.000 0.275 364 S C -0.846 173.634 174.600 -0.200 0.000 1.123 364 S CA -0.833 56.877 58.200 -0.816 0.000 0.907 364 S CB 2.025 64.411 63.200 -1.355 0.000 1.081 364 S HN 0.145 nan 8.310 nan 0.000 0.476 365 S N 0.822 116.516 115.700 -0.010 0.000 2.661 365 S HA 0.775 5.246 4.470 0.001 0.000 0.285 365 S C -1.049 173.714 174.600 0.273 0.000 1.138 365 S CA -0.629 57.694 58.200 0.204 0.000 0.855 365 S CB 1.955 65.233 63.200 0.129 0.000 1.136 365 S HN 0.564 nan 8.310 nan 0.000 0.484 366 S N 1.327 117.132 115.700 0.175 0.000 2.524 366 S HA 0.387 4.857 4.470 0.001 0.000 0.227 366 S C -1.628 173.029 174.600 0.096 0.000 1.304 366 S CA -0.427 57.846 58.200 0.122 0.000 1.185 366 S CB 0.203 63.457 63.200 0.091 0.000 1.104 366 S HN 0.542 nan 8.310 nan 0.000 0.475 367 E N 2.407 122.669 120.200 0.102 0.000 2.103 367 E HA 0.302 4.652 4.350 0.001 0.000 0.254 367 E C -0.117 176.584 176.600 0.168 0.000 0.940 367 E CA -0.287 56.177 56.400 0.106 0.000 0.771 367 E CB 0.117 29.865 29.700 0.081 0.000 1.153 367 E HN 0.708 nan 8.360 nan 0.000 0.428 368 H N 1.715 120.802 119.070 0.027 0.000 2.626 368 H HA -0.278 4.279 4.556 0.001 0.000 0.317 368 H C -0.971 174.371 175.328 0.023 0.000 1.140 368 H CA 0.596 56.658 56.048 0.023 0.000 1.134 368 H CB -0.617 29.157 29.762 0.020 0.000 1.486 368 H HN 0.509 nan 8.280 nan 0.000 0.417 369 A N 0.577 123.405 122.820 0.013 0.000 2.569 369 A HA 0.413 4.734 4.320 0.001 0.000 0.292 369 A C -1.378 176.203 177.584 -0.004 0.000 1.032 369 A CA -0.522 51.476 52.037 -0.065 0.000 0.669 369 A CB 0.896 19.836 19.000 -0.101 0.000 1.290 369 A HN 0.207 nan 8.150 nan 0.000 0.422 370 L N 1.414 122.618 121.223 -0.030 0.000 2.313 370 L HA 0.501 4.842 4.340 0.001 0.000 0.282 370 L C 0.231 177.094 176.870 -0.012 0.000 1.092 370 L CA 0.328 55.179 54.840 0.018 0.000 0.831 370 L CB 0.024 42.070 42.059 -0.021 0.000 1.159 370 L HN 0.779 nan 8.230 nan 0.000 0.442 371 H N 6.798 125.843 119.070 -0.042 0.000 2.803 371 H HA 0.211 4.768 4.556 0.001 0.000 0.330 371 H C -1.775 173.357 175.328 -0.327 0.000 1.057 371 H CA -0.930 54.981 56.048 -0.228 0.000 1.458 371 H CB 1.153 30.707 29.762 -0.346 0.000 1.470 371 H HN 0.562 nan 8.280 nan 0.000 0.560 372 P HA -0.222 nan 4.420 nan 0.000 0.217 372 P C 1.058 178.166 177.300 -0.320 0.000 1.148 372 P CA 1.234 64.005 63.100 -0.548 0.000 0.828 372 P CB -0.015 31.038 31.700 -1.077 0.000 0.783 373 F N -0.553 119.119 119.950 -0.464 0.000 2.113 373 F HA -0.231 4.297 4.527 0.001 0.000 0.297 373 F C 2.428 178.168 175.800 -0.101 0.000 1.103 373 F CA 1.533 59.390 58.000 -0.238 0.000 1.248 373 F CB -0.393 38.382 39.000 -0.376 0.000 0.999 373 F HN -0.028 nan 8.300 nan 0.000 0.475 374 H N 0.197 119.246 119.070 -0.035 0.000 2.352 374 H HA -0.104 4.453 4.556 0.001 0.000 0.299 374 H C 2.390 177.687 175.328 -0.052 0.000 1.097 374 H CA 1.194 57.189 56.048 -0.089 0.000 1.311 374 H CB -1.142 28.619 29.762 -0.001 0.000 1.377 374 H HN 0.410 nan 8.280 nan 0.000 0.504 375 A N 0.559 123.446 122.820 0.111 0.000 1.883 375 A HA -0.190 4.130 4.320 0.001 0.000 0.217 375 A C 2.730 180.430 177.584 0.192 0.000 1.186 375 A CA 2.063 54.201 52.037 0.168 0.000 0.624 375 A CB -0.704 18.294 19.000 -0.003 0.000 0.822 375 A HN 0.392 nan 8.150 nan 0.000 0.444 376 S N -0.397 115.331 115.700 0.047 0.000 2.382 376 S HA -0.201 4.269 4.470 0.001 0.000 0.228 376 S C 2.052 176.634 174.600 -0.030 0.000 1.027 376 S CA 1.510 59.732 58.200 0.038 0.000 0.991 376 S CB -0.332 62.890 63.200 0.037 0.000 0.823 376 S HN 0.701 nan 8.310 nan 0.000 0.469 377 Q N 0.344 120.052 119.800 -0.154 0.000 2.170 377 Q HA -0.053 4.287 4.340 0.001 0.000 0.203 377 Q C 2.168 178.129 176.000 -0.065 0.000 0.976 377 Q CA 1.107 56.825 55.803 -0.142 0.000 0.858 377 Q CB -0.269 28.349 28.738 -0.201 0.000 0.907 377 Q HN 0.367 nan 8.270 nan 0.000 0.433 378 V N 0.839 120.736 119.914 -0.027 0.000 2.515 378 V HA -0.231 3.890 4.120 0.001 0.000 0.250 378 V C 2.011 178.061 176.094 -0.074 0.000 1.058 378 V CA 1.403 63.646 62.300 -0.095 0.000 1.064 378 V CB -0.368 31.354 31.823 -0.170 0.000 0.675 378 V HN 0.366 nan 8.190 nan 0.000 0.461 379 I N 0.473 121.046 120.570 0.005 0.000 2.353 379 I HA -0.152 4.018 4.170 0.001 0.000 0.248 379 I C 2.685 178.843 176.117 0.068 0.000 1.119 379 I CA 1.264 62.599 61.300 0.059 0.000 1.417 379 I CB -0.654 37.413 38.000 0.111 0.000 1.078 379 I HN 0.276 nan 8.210 nan 0.000 0.421 380 A N 2.249 125.077 122.820 0.013 0.000 1.940 380 A HA -0.240 4.080 4.320 0.001 0.000 0.219 380 A C 2.268 179.813 177.584 -0.066 0.000 1.176 380 A CA 1.995 54.021 52.037 -0.017 0.000 0.631 380 A CB -0.649 18.337 19.000 -0.023 0.000 0.814 380 A HN 0.574 nan 8.150 nan 0.000 0.446 381 K N -1.282 119.036 120.400 -0.137 0.000 2.442 381 K HA -0.130 4.190 4.320 0.001 0.000 0.198 381 K C 0.876 177.251 176.600 -0.374 0.000 1.044 381 K CA 1.467 57.595 56.287 -0.265 0.000 0.948 381 K CB -0.355 31.945 32.500 -0.333 0.000 0.762 381 K HN 0.654 nan 8.250 nan 0.000 0.472 382 H N 0.346 119.361 119.070 -0.093 0.000 2.586 382 H HA 0.188 4.745 4.556 0.001 0.000 0.273 382 H C -0.239 175.052 175.328 -0.062 0.000 0.997 382 H CA -0.200 55.798 56.048 -0.084 0.000 1.177 382 H CB 0.718 30.418 29.762 -0.103 0.000 1.471 382 H HN -0.061 nan 8.280 nan 0.000 0.538 383 V N 4.111 124.041 119.914 0.028 0.000 2.406 383 V HA 0.154 4.274 4.120 0.001 0.000 0.272 383 V C 0.015 176.100 176.094 -0.016 0.000 1.043 383 V CA -0.206 62.102 62.300 0.013 0.000 0.915 383 V CB 1.185 33.010 31.823 0.002 0.000 0.988 383 V HN 0.476 nan 8.190 nan 0.000 0.466 384 D N 3.988 124.383 120.400 -0.009 0.000 2.851 384 D HA 0.392 5.033 4.640 0.001 0.000 0.339 384 D C 0.695 176.988 176.300 -0.012 0.000 1.347 384 D CA -0.034 53.954 54.000 -0.021 0.000 0.888 384 D CB 1.198 41.983 40.800 -0.025 0.000 1.431 384 D HN 0.389 nan 8.370 nan 0.000 0.509 385 A N -0.526 122.284 122.820 -0.017 0.000 2.125 385 A HA 0.204 4.525 4.320 0.001 0.000 0.219 385 A C 1.802 179.381 177.584 -0.009 0.000 1.156 385 A CA 1.805 53.834 52.037 -0.013 0.000 0.671 385 A CB -1.311 17.678 19.000 -0.018 0.000 0.794 385 A HN 0.665 nan 8.150 nan 0.000 0.459 386 G N -1.270 107.526 108.800 -0.006 0.000 3.026 386 G HA2 0.384 4.344 3.960 0.001 0.000 0.208 386 G HA3 0.384 4.344 3.960 0.001 0.000 0.208 386 G C -0.003 174.898 174.900 0.001 0.000 1.169 386 G CA 0.441 45.539 45.100 -0.003 0.000 0.788 386 G HN 0.251 nan 8.290 nan 0.000 0.533 387 V N 0.073 119.989 119.914 0.004 0.000 2.638 387 V HA 0.435 4.555 4.120 0.001 0.000 0.306 387 V C -0.457 175.646 176.094 0.015 0.000 1.052 387 V CA -0.650 61.656 62.300 0.009 0.000 0.885 387 V CB 2.175 34.009 31.823 0.017 0.000 0.999 387 V HN 0.018 nan 8.190 nan 0.000 0.424 388 T N 4.051 118.610 114.554 0.009 0.000 2.749 388 T HA 0.525 4.876 4.350 0.001 0.000 0.287 388 T C -0.318 174.394 174.700 0.019 0.000 0.970 388 T CA -0.248 61.859 62.100 0.012 0.000 0.980 388 T CB 1.339 70.197 68.868 -0.018 0.000 0.924 388 T HN 0.358 nan 8.240 nan 0.000 0.456 389 V N 4.805 124.762 119.914 0.071 0.000 2.394 389 V HA 0.439 4.560 4.120 0.001 0.000 0.282 389 V C -0.036 176.033 176.094 -0.042 0.000 1.031 389 V CA -0.639 61.712 62.300 0.084 0.000 0.881 389 V CB 1.579 33.556 31.823 0.256 0.000 0.982 389 V HN 0.658 nan 8.190 nan 0.000 0.451 390 V N 4.101 123.942 119.914 -0.122 0.000 2.417 390 V HA 0.825 4.945 4.120 0.001 0.000 0.291 390 V C 0.251 176.181 176.094 -0.273 0.000 1.024 390 V CA -0.519 61.626 62.300 -0.258 0.000 0.861 390 V CB 1.645 33.336 31.823 -0.221 0.000 0.985 390 V HN 0.973 nan 8.190 nan 0.000 0.436 391 A N 3.299 125.857 122.820 -0.435 0.000 2.331 391 A HA 0.827 5.147 4.320 0.001 0.000 0.320 391 A C -0.864 176.410 177.584 -0.516 0.000 1.138 391 A CA -0.384 51.436 52.037 -0.361 0.000 0.790 391 A CB 1.448 20.265 19.000 -0.306 0.000 1.206 391 A HN 0.758 nan 8.150 nan 0.000 0.470 392 D N 0.677 120.889 120.400 -0.314 0.000 2.636 392 D HA 0.590 5.231 4.640 0.001 0.000 0.275 392 D C 0.500 176.850 176.300 0.084 0.000 1.130 392 D CA 0.742 54.566 54.000 -0.294 0.000 1.031 392 D CB 1.786 42.475 40.800 -0.185 0.000 1.451 392 D HN 1.515 nan 8.370 nan 0.000 0.505 393 G N 0.658 109.644 108.800 0.311 0.000 2.326 393 G HA2 0.202 4.163 3.960 0.001 0.000 0.286 393 G HA3 0.202 4.163 3.960 0.001 0.000 0.286 393 G C 0.921 176.043 174.900 0.369 0.000 1.096 393 G CA 1.037 46.328 45.100 0.318 0.000 1.003 393 G HN 1.464 nan 8.290 nan 0.000 0.503 394 A N -0.793 122.360 122.820 0.554 0.000 5.175 394 A HA -0.374 3.947 4.320 0.001 0.000 0.332 394 A C 2.144 179.637 177.584 -0.151 0.000 1.800 394 A CA 2.623 54.785 52.037 0.208 0.000 0.707 394 A CB -1.524 17.560 19.000 0.140 0.000 1.405 394 A HN 1.429 nan 8.150 nan 0.000 0.388 395 L N -0.639 120.539 121.223 -0.075 0.000 2.021 395 L HA -0.249 4.091 4.340 0.001 0.000 0.215 395 L C 2.836 179.749 176.870 0.071 0.000 1.074 395 L CA 2.581 57.378 54.840 -0.073 0.000 0.760 395 L CB -1.082 40.965 42.059 -0.019 0.000 0.889 395 L HN 0.887 nan 8.230 nan 0.000 0.433 396 T N -0.523 114.104 114.554 0.121 0.000 2.620 396 T HA -0.297 4.053 4.350 0.001 0.000 0.267 396 T C 1.573 176.394 174.700 0.201 0.000 1.044 396 T CA 2.475 64.677 62.100 0.170 0.000 1.161 396 T CB -0.558 68.388 68.868 0.131 0.000 0.862 396 T HN 0.618 nan 8.240 nan 0.000 0.438 397 Y N 0.555 120.911 120.300 0.094 0.000 2.490 397 Y HA 0.376 4.927 4.550 0.001 0.000 0.285 397 Y C 1.927 177.883 175.900 0.092 0.000 1.117 397 Y CA 0.047 58.185 58.100 0.064 0.000 1.262 397 Y CB -0.740 37.684 38.460 -0.059 0.000 1.043 397 Y HN 0.097 nan 8.280 nan 0.000 0.553 398 L N -0.958 119.953 121.223 -0.519 0.000 2.083 398 L HA -0.162 4.179 4.340 0.001 0.000 0.209 398 L C 2.092 178.869 176.870 -0.155 0.000 1.083 398 L CA 1.677 56.276 54.840 -0.402 0.000 0.752 398 L CB -0.595 41.137 42.059 -0.546 0.000 0.899 398 L HN 0.349 nan 8.230 nan 0.000 0.433 399 W N -0.417 120.883 121.300 -0.000 0.000 2.407 399 W HA -0.180 4.481 4.660 0.001 0.000 0.305 399 W C 2.390 179.001 176.519 0.152 0.000 1.196 399 W CA 0.092 57.499 57.345 0.104 0.000 1.311 399 W CB -0.331 29.188 29.460 0.098 0.000 1.135 399 W HN 0.024 nan 8.180 nan 0.000 0.514 400 L N 1.177 122.621 121.223 0.369 0.000 2.081 400 L HA -0.263 4.078 4.340 0.001 0.000 0.212 400 L C 2.619 179.638 176.870 0.247 0.000 1.080 400 L CA 2.481 57.490 54.840 0.280 0.000 0.754 400 L CB -1.110 41.107 42.059 0.262 0.000 0.893 400 L HN 0.026 nan 8.230 nan 0.000 0.433 401 S N -1.491 114.368 115.700 0.264 0.000 2.419 401 S HA -0.173 4.298 4.470 0.001 0.000 0.235 401 S C 1.714 176.442 174.600 0.213 0.000 1.019 401 S CA 1.112 59.456 58.200 0.240 0.000 0.982 401 S CB -0.624 62.786 63.200 0.351 0.000 0.789 401 S HN 0.581 nan 8.310 nan 0.000 0.490 402 E N 1.388 121.757 120.200 0.282 0.000 2.347 402 E HA 0.065 4.415 4.350 0.001 0.000 0.196 402 E C 1.323 178.178 176.600 0.426 0.000 1.008 402 E CA 0.707 57.321 56.400 0.356 0.000 0.852 402 E CB -0.346 29.632 29.700 0.464 0.000 0.783 402 E HN 0.747 nan 8.360 nan 0.000 0.505 406 R N 2.257 122.692 120.500 -0.109 0.000 2.275 406 R HA 0.197 4.537 4.340 0.001 0.000 0.199 406 R C 0.753 176.972 176.300 -0.135 0.000 0.989 406 R CA 0.705 56.712 56.100 -0.155 0.000 1.016 406 R CB -0.515 29.633 30.300 -0.255 0.000 0.918 406 R HN 0.404 nan 8.270 nan 0.000 0.473 407 V N -1.065 118.779 119.914 -0.117 0.000 3.211 407 V HA 0.464 4.585 4.120 0.001 0.000 0.319 407 V C -0.382 175.655 176.094 -0.096 0.000 1.096 407 V CA -1.213 61.027 62.300 -0.101 0.000 1.029 407 V CB 1.534 33.305 31.823 -0.086 0.000 1.137 407 V HN 0.023 nan 8.190 nan 0.000 0.453 408 K N 2.162 122.516 120.400 -0.076 0.000 2.753 408 K HA 0.433 4.754 4.320 0.001 0.000 0.185 408 K C -2.852 173.723 176.600 -0.042 0.000 1.071 408 K CA -1.364 54.885 56.287 -0.063 0.000 0.999 408 K CB 1.410 33.873 32.500 -0.061 0.000 1.244 408 K HN 0.591 nan 8.250 nan 0.000 0.594 409 P HA 0.049 nan 4.420 nan 0.000 0.278 409 P C 0.633 177.939 177.300 0.010 0.000 1.238 409 P CA -0.152 62.949 63.100 0.001 0.000 0.794 409 P CB 1.452 33.172 31.700 0.032 0.000 0.955 410 G N 1.619 110.425 108.800 0.010 0.000 2.443 410 G HA2 0.144 4.104 3.960 0.001 0.000 0.219 410 G HA3 0.144 4.104 3.960 0.001 0.000 0.219 410 G C 0.654 175.563 174.900 0.015 0.000 1.131 410 G CA 0.598 45.700 45.100 0.004 0.000 0.775 410 G HN 0.806 nan 8.290 nan 0.000 0.547 411 G N -1.457 107.366 108.800 0.039 0.000 2.746 411 G HA2 0.477 4.437 3.960 0.001 0.000 0.297 411 G HA3 0.477 4.437 3.960 0.001 0.000 0.297 411 G C -2.077 172.913 174.900 0.149 0.000 1.426 411 G CA -0.728 44.406 45.100 0.056 0.000 0.989 411 G HN 0.155 nan 8.290 nan 0.000 0.520 412 F N 2.752 122.677 119.950 -0.041 0.000 2.659 412 F HA 0.596 5.124 4.527 0.001 0.000 0.342 412 F C -1.079 174.680 175.800 -0.069 0.000 1.168 412 F CA -1.273 56.699 58.000 -0.047 0.000 1.003 412 F CB 1.361 40.353 39.000 -0.015 0.000 1.267 412 F HN 0.290 nan 8.300 nan 0.000 0.463 413 L N 7.254 128.142 121.223 -0.557 0.000 2.301 413 L HA 0.437 4.778 4.340 0.001 0.000 0.278 413 L C -0.344 176.064 176.870 -0.771 0.000 1.022 413 L CA -0.543 53.982 54.840 -0.524 0.000 0.854 413 L CB 0.974 42.845 42.059 -0.313 0.000 1.226 413 L HN 0.647 nan 8.230 nan 0.000 0.429 414 C N 2.031 120.830 119.300 -0.835 0.000 2.668 414 C HA 0.520 4.980 4.460 0.001 0.000 0.355 414 C C 0.574 175.188 174.990 -0.627 0.000 1.277 414 C CA -0.516 57.947 59.018 -0.926 0.000 1.787 414 C CB 1.425 28.442 27.740 -1.206 0.000 2.233 414 C HN 0.659 nan 8.230 nan 0.000 0.495 415 H N 0.670 119.376 119.070 -0.607 0.000 3.038 415 H HA 0.211 4.767 4.556 0.001 0.000 0.338 415 H C 0.742 175.965 175.328 -0.175 0.000 1.041 415 H CA 1.383 57.202 56.048 -0.382 0.000 1.394 415 H CB 0.133 29.640 29.762 -0.425 0.000 1.357 415 H HN 0.880 nan 8.280 nan 0.000 0.600 416 G N 1.269 110.085 108.800 0.026 0.000 2.782 416 G HA2 0.079 4.040 3.960 0.001 0.000 0.201 416 G HA3 0.079 4.040 3.960 0.001 0.000 0.201 416 G C 0.213 175.178 174.900 0.108 0.000 1.374 416 G CA -0.421 44.669 45.100 -0.016 0.000 1.039 416 G HN 0.526 nan 8.290 nan 0.000 0.576 417 Y N -0.291 120.028 120.300 0.031 0.000 2.256 417 Y HA -0.005 4.546 4.550 0.001 0.000 0.288 417 Y C 2.686 178.598 175.900 0.020 0.000 1.155 417 Y CA 0.192 58.310 58.100 0.030 0.000 1.203 417 Y CB -0.667 37.804 38.460 0.017 0.000 0.980 417 Y HN 0.134 nan 8.280 nan 0.000 0.530 418 L N -0.476 120.844 121.223 0.161 0.000 2.127 418 L HA -0.137 4.203 4.340 0.001 0.000 0.211 418 L C 1.621 178.483 176.870 -0.013 0.000 1.089 418 L CA 1.599 56.484 54.840 0.074 0.000 0.757 418 L CB -0.954 41.136 42.059 0.051 0.000 0.899 418 L HN 0.511 nan 8.230 nan 0.000 0.434 419 G N 0.295 109.056 108.800 -0.066 0.000 2.341 419 G HA2 -0.311 3.650 3.960 0.001 0.000 0.292 419 G HA3 -0.311 3.650 3.960 0.001 0.000 0.292 419 G C 0.374 175.027 174.900 -0.412 0.000 1.021 419 G CA 0.769 45.714 45.100 -0.258 0.000 0.905 419 G HN 0.446 nan 8.290 nan 0.000 0.508 423 V N 2.046 121.764 119.914 -0.326 0.000 2.660 423 V HA -0.073 4.047 4.120 0.001 0.000 0.257 423 V C 2.844 178.684 176.094 -0.424 0.000 1.088 423 V CA 2.776 64.700 62.300 -0.626 0.000 1.106 423 V CB -0.586 30.906 31.823 -0.551 0.000 0.686 423 V HN 0.459 nan 8.190 nan 0.000 0.481 424 G N -1.418 107.238 108.800 -0.241 0.000 2.422 424 G HA2 -0.241 3.720 3.960 0.001 0.000 0.218 424 G HA3 -0.241 3.720 3.960 0.001 0.000 0.218 424 G C 1.428 176.264 174.900 -0.107 0.000 1.140 424 G CA 0.523 45.488 45.100 -0.225 0.000 0.775 424 G HN 0.435 nan 8.290 nan 0.000 0.545 425 F N 2.385 122.232 119.950 -0.172 0.000 2.031 425 F HA 0.018 4.546 4.527 0.001 0.000 0.295 425 F C 2.724 178.443 175.800 -0.136 0.000 1.133 425 F CA 1.301 59.207 58.000 -0.157 0.000 1.188 425 F CB -0.865 38.045 39.000 -0.150 0.000 0.974 425 F HN 0.141 nan 8.300 nan 0.000 0.473 426 G N -1.031 107.879 108.800 0.182 0.000 2.476 426 G HA2 -0.313 3.647 3.960 0.001 0.000 0.218 426 G HA3 -0.313 3.647 3.960 0.001 0.000 0.218 426 G C 1.667 176.580 174.900 0.023 0.000 1.164 426 G CA 1.695 46.849 45.100 0.091 0.000 0.768 426 G HN 0.403 nan 8.290 nan 0.000 0.560 427 T N 1.714 116.256 114.554 -0.021 0.000 2.665 427 T HA -0.085 4.265 4.350 0.001 0.000 0.268 427 T C 2.792 177.434 174.700 -0.097 0.000 1.035 427 T CA 1.889 63.935 62.100 -0.091 0.000 1.151 427 T CB -0.486 68.284 68.868 -0.163 0.000 0.862 427 T HN 0.420 nan 8.240 nan 0.000 0.438 428 A N 0.827 123.599 122.820 -0.081 0.000 1.933 428 A HA 0.060 4.380 4.320 0.001 0.000 0.218 428 A C 2.301 179.870 177.584 -0.024 0.000 1.175 428 A CA 1.173 53.164 52.037 -0.078 0.000 0.628 428 A CB -0.820 18.108 19.000 -0.121 0.000 0.814 428 A HN 0.489 nan 8.150 nan 0.000 0.444 429 L N -0.523 120.717 121.223 0.028 0.000 2.017 429 L HA -0.080 4.261 4.340 0.001 0.000 0.208 429 L C 2.500 179.379 176.870 0.014 0.000 1.073 429 L CA 1.692 56.566 54.840 0.057 0.000 0.745 429 L CB -0.550 41.562 42.059 0.089 0.000 0.894 429 L HN 0.386 nan 8.230 nan 0.000 0.432 430 G N -1.090 107.627 108.800 -0.139 0.000 2.418 430 G HA2 -0.269 3.691 3.960 0.001 0.000 0.217 430 G HA3 -0.269 3.691 3.960 0.001 0.000 0.217 430 G C 1.620 176.501 174.900 -0.030 0.000 1.158 430 G CA 0.683 45.609 45.100 -0.290 0.000 0.771 430 G HN 0.573 nan 8.290 nan 0.000 0.545 431 A N 0.262 123.046 122.820 -0.060 0.000 1.902 431 A HA -0.113 4.208 4.320 0.001 0.000 0.217 431 A C 2.315 179.889 177.584 -0.017 0.000 1.181 431 A CA 2.293 54.299 52.037 -0.053 0.000 0.623 431 A CB -0.489 18.465 19.000 -0.076 0.000 0.818 431 A HN 0.408 nan 8.150 nan 0.000 0.443 432 Q N 0.019 119.826 119.800 0.011 0.000 2.096 432 Q HA -0.118 4.222 4.340 0.001 0.000 0.204 432 Q C 1.862 177.895 176.000 0.055 0.000 0.982 432 Q CA 2.144 57.966 55.803 0.032 0.000 0.850 432 Q CB -0.678 28.088 28.738 0.048 0.000 0.901 432 Q HN 0.359 nan 8.270 nan 0.000 0.422 433 V N 0.701 120.682 119.914 0.112 0.000 2.287 433 V HA -0.317 3.804 4.120 0.001 0.000 0.248 433 V C 2.297 178.422 176.094 0.051 0.000 1.053 433 V CA 1.984 64.359 62.300 0.126 0.000 1.027 433 V CB -1.400 30.597 31.823 0.290 0.000 0.646 433 V HN 0.534 nan 8.190 nan 0.000 0.447 434 A N -0.426 122.407 122.820 0.022 0.000 1.972 434 A HA -0.240 4.080 4.320 0.001 0.000 0.219 434 A C 1.939 179.454 177.584 -0.116 0.000 1.169 434 A CA 1.933 53.837 52.037 -0.222 0.000 0.635 434 A CB -0.559 18.153 19.000 -0.481 0.000 0.810 434 A HN 0.546 nan 8.150 nan 0.000 0.446 435 D N -0.552 119.813 120.400 -0.057 0.000 2.312 435 D HA -0.040 4.601 4.640 0.001 0.000 0.211 435 D C 1.618 177.913 176.300 -0.008 0.000 0.964 435 D CA 0.382 54.362 54.000 -0.034 0.000 0.877 435 D CB -0.079 40.708 40.800 -0.020 0.000 0.924 435 D HN 0.238 nan 8.370 nan 0.000 0.515 436 L N 1.630 122.858 121.223 0.008 0.000 2.017 436 L HA -0.158 4.183 4.340 0.001 0.000 0.208 436 L C 2.343 179.231 176.870 0.030 0.000 1.073 436 L CA 1.540 56.398 54.840 0.030 0.000 0.745 436 L CB -0.846 41.243 42.059 0.051 0.000 0.894 436 L HN 0.151 nan 8.230 nan 0.000 0.432 437 E N -0.644 119.574 120.200 0.030 0.000 2.106 437 E HA -0.129 4.222 4.350 0.001 0.000 0.192 437 E C 1.867 178.475 176.600 0.014 0.000 0.984 437 E CA 1.253 57.674 56.400 0.035 0.000 0.806 437 E CB -0.444 29.287 29.700 0.051 0.000 0.750 437 E HN 0.403 nan 8.360 nan 0.000 0.458 438 A N 1.127 123.944 122.820 -0.005 0.000 2.235 438 A HA 0.304 4.624 4.320 0.001 0.000 0.208 438 A C 1.840 179.422 177.584 -0.003 0.000 1.172 438 A CA 0.861 52.891 52.037 -0.011 0.000 0.786 438 A CB -0.620 18.363 19.000 -0.028 0.000 0.804 438 A HN 0.411 nan 8.150 nan 0.000 0.479 439 G N -0.689 108.114 108.800 0.005 0.000 2.168 439 G HA2 -0.290 3.670 3.960 0.001 0.000 0.257 439 G HA3 -0.290 3.670 3.960 0.001 0.000 0.257 439 G C 0.331 175.234 174.900 0.005 0.000 0.997 439 G CA 0.562 45.667 45.100 0.008 0.000 0.708 439 G HN 0.664 nan 8.290 nan 0.000 0.520 440 R N -0.640 119.861 120.500 0.000 0.000 2.532 440 R HA 0.625 4.966 4.340 0.001 0.000 0.272 440 R C 0.234 176.536 176.300 0.004 0.000 1.032 440 R CA -0.885 55.214 56.100 -0.001 0.000 1.089 440 R CB 0.650 30.945 30.300 -0.009 0.000 1.098 440 R HN 0.006 nan 8.270 nan 0.000 0.526 441 R N 0.651 121.153 120.500 0.003 0.000 2.368 441 R HA 0.288 4.628 4.340 0.001 0.000 0.302 441 R C -0.670 175.628 176.300 -0.002 0.000 1.002 441 R CA -0.348 55.755 56.100 0.004 0.000 0.929 441 R CB 1.822 32.122 30.300 -0.000 0.000 1.073 441 R HN 0.588 nan 8.270 nan 0.000 0.464 442 T N 4.066 118.619 114.554 -0.002 0.000 2.767 442 T HA 0.463 4.814 4.350 0.001 0.000 0.284 442 T C 0.272 174.960 174.700 -0.020 0.000 0.973 442 T CA -0.516 61.575 62.100 -0.014 0.000 0.996 442 T CB 0.904 69.762 68.868 -0.017 0.000 0.927 442 T HN 0.187 nan 8.240 nan 0.000 0.456 443 I N 3.989 124.543 120.570 -0.026 0.000 2.378 443 I HA 0.383 4.553 4.170 0.001 0.000 0.291 443 I C -0.278 175.804 176.117 -0.060 0.000 0.992 443 I CA -1.349 59.931 61.300 -0.032 0.000 1.154 443 I CB 1.151 39.142 38.000 -0.014 0.000 1.315 443 I HN 0.482 nan 8.210 nan 0.000 0.448 444 L N 8.274 129.438 121.223 -0.098 0.000 2.275 444 L HA 0.520 4.860 4.340 0.001 0.000 0.288 444 L C -0.574 176.230 176.870 -0.110 0.000 1.046 444 L CA -0.149 54.599 54.840 -0.153 0.000 0.805 444 L CB 1.367 43.259 42.059 -0.278 0.000 1.193 444 L HN 0.316 nan 8.230 nan 0.000 0.426 445 V N 4.846 124.708 119.914 -0.087 0.000 2.334 445 V HA 0.619 4.740 4.120 0.001 0.000 0.281 445 V C 0.213 176.267 176.094 -0.067 0.000 1.016 445 V CA -0.292 61.984 62.300 -0.040 0.000 0.832 445 V CB 0.816 32.660 31.823 0.035 0.000 0.999 445 V HN 0.916 nan 8.190 nan 0.000 0.439 446 T N 3.163 117.673 114.554 -0.074 0.000 2.865 446 T HA 0.752 5.103 4.350 0.001 0.000 0.294 446 T C 0.139 174.809 174.700 -0.049 0.000 1.119 446 T CA 0.133 62.192 62.100 -0.068 0.000 1.007 446 T CB 1.959 70.756 68.868 -0.118 0.000 1.225 446 T HN 0.873 nan 8.240 nan 0.000 0.515 447 G N 0.485 109.275 108.800 -0.018 0.000 2.477 447 G HA2 0.372 4.332 3.960 0.001 0.000 0.304 447 G HA3 0.372 4.332 3.960 0.001 0.000 0.304 447 G C 0.841 175.643 174.900 -0.163 0.000 1.175 447 G CA -0.151 44.922 45.100 -0.046 0.000 0.907 447 G HN 0.819 nan 8.290 nan 0.000 0.509 448 D N 0.165 120.416 120.400 -0.248 0.000 2.219 448 D HA -0.092 4.548 4.640 0.001 0.000 0.205 448 D C 2.031 178.035 176.300 -0.494 0.000 0.970 448 D CA 1.219 54.929 54.000 -0.484 0.000 0.851 448 D CB -0.584 40.022 40.800 -0.323 0.000 0.943 448 D HN 0.457 nan 8.370 nan 0.000 0.488 449 G N 0.617 109.135 108.800 -0.469 0.000 2.424 449 G HA2 -0.215 3.746 3.960 0.001 0.000 0.214 449 G HA3 -0.215 3.746 3.960 0.001 0.000 0.214 449 G C 1.872 176.642 174.900 -0.216 0.000 1.202 449 G CA 0.971 45.530 45.100 -0.901 0.000 0.793 449 G HN 0.332 nan 8.290 nan 0.000 0.534 450 S N -0.282 115.497 115.700 0.131 0.000 2.382 450 S HA -0.114 4.357 4.470 0.001 0.000 0.228 450 S C 2.318 177.093 174.600 0.293 0.000 1.027 450 S CA 1.029 59.448 58.200 0.366 0.000 0.991 450 S CB -0.323 63.017 63.200 0.233 0.000 0.823 450 S HN 0.156 nan 8.310 nan 0.000 0.469 451 V N 2.005 121.968 119.914 0.082 0.000 2.594 451 V HA -0.099 4.022 4.120 0.001 0.000 0.253 451 V C 2.176 178.407 176.094 0.228 0.000 1.069 451 V CA 1.839 64.212 62.300 0.122 0.000 1.082 451 V CB -1.025 30.781 31.823 -0.030 0.000 0.680 451 V HN 0.559 nan 8.190 nan 0.000 0.469 452 G N -1.751 107.137 108.800 0.147 0.000 2.448 452 G HA2 -0.276 3.685 3.960 0.001 0.000 0.219 452 G HA3 -0.276 3.685 3.960 0.001 0.000 0.219 452 G C 1.323 176.318 174.900 0.158 0.000 1.127 452 G CA 0.961 46.161 45.100 0.167 0.000 0.766 452 G HN 0.588 nan 8.290 nan 0.000 0.552 453 Y N 0.859 121.264 120.300 0.176 0.000 2.256 453 Y HA -0.014 4.537 4.550 0.001 0.000 0.288 453 Y C 2.117 178.057 175.900 0.067 0.000 1.155 453 Y CA 1.555 59.736 58.100 0.135 0.000 1.203 453 Y CB 0.417 38.949 38.460 0.120 0.000 0.980 453 Y HN 0.152 nan 8.280 nan 0.000 0.530 454 S N -1.110 114.719 115.700 0.215 0.000 2.977 454 S HA 0.147 4.618 4.470 0.001 0.000 0.250 454 S C 1.116 175.610 174.600 -0.178 0.000 1.005 454 S CA -0.345 57.849 58.200 -0.011 0.000 1.081 454 S CB -0.124 63.021 63.200 -0.091 0.000 1.018 454 S HN 0.327 nan 8.310 nan 0.000 0.539 455 I N 1.974 122.602 120.570 0.097 0.000 2.454 455 I HA -0.119 4.052 4.170 0.001 0.000 0.254 455 I C 2.188 178.379 176.117 0.124 0.000 1.156 455 I CA 1.339 62.791 61.300 0.254 0.000 1.433 455 I CB -0.075 38.196 38.000 0.452 0.000 1.082 455 I HN 0.496 nan 8.210 nan 0.000 0.432 456 G N -0.077 108.711 108.800 -0.020 0.000 2.479 456 G HA2 -0.229 3.732 3.960 0.001 0.000 0.220 456 G HA3 -0.229 3.732 3.960 0.001 0.000 0.220 456 G C 1.380 175.930 174.900 -0.583 0.000 1.115 456 G CA 0.409 45.357 45.100 -0.254 0.000 0.757 456 G HN 0.343 nan 8.290 nan 0.000 0.560 457 E N 0.297 120.085 120.200 -0.686 0.000 2.401 457 E HA -0.044 4.307 4.350 0.001 0.000 0.199 457 E C 1.863 178.102 176.600 -0.602 0.000 1.023 457 E CA 0.089 56.015 56.400 -0.790 0.000 0.859 457 E CB -0.401 28.548 29.700 -1.252 0.000 0.780 457 E HN 0.621 nan 8.360 nan 0.000 0.523 458 F N 1.180 120.898 119.950 -0.387 0.000 2.126 458 F HA -0.250 4.277 4.527 0.001 0.000 0.299 458 F C 2.257 177.934 175.800 -0.204 0.000 1.096 458 F CA 1.411 59.380 58.000 -0.050 0.000 1.255 458 F CB -0.136 38.987 39.000 0.206 0.000 0.997 458 F HN 0.072 nan 8.300 nan 0.000 0.479 459 D N -0.389 119.725 120.400 -0.476 0.000 2.116 459 D HA -0.191 4.449 4.640 0.001 0.000 0.193 459 D C 2.029 178.267 176.300 -0.102 0.000 0.998 459 D CA 2.158 55.964 54.000 -0.324 0.000 0.836 459 D CB -0.210 40.271 40.800 -0.532 0.000 0.951 459 D HN 0.106 nan 8.370 nan 0.000 0.449 460 T N -0.013 114.457 114.554 -0.139 0.000 2.821 460 T HA -0.094 4.256 4.350 0.001 0.000 0.267 460 T C 1.713 176.427 174.700 0.023 0.000 1.046 460 T CA 0.469 62.539 62.100 -0.051 0.000 1.139 460 T CB -0.197 68.626 68.868 -0.075 0.000 0.871 460 T HN 0.060 nan 8.240 nan 0.000 0.454 461 L N 0.948 122.202 121.223 0.052 0.000 2.042 461 L HA -0.065 4.276 4.340 0.001 0.000 0.210 461 L C 2.551 179.499 176.870 0.129 0.000 1.076 461 L CA 1.342 56.259 54.840 0.129 0.000 0.749 461 L CB -1.169 41.024 42.059 0.223 0.000 0.893 461 L HN 0.160 nan 8.230 nan 0.000 0.432 462 V N -1.054 118.938 119.914 0.129 0.000 2.346 462 V HA -0.182 3.939 4.120 0.001 0.000 0.244 462 V C 2.604 178.751 176.094 0.087 0.000 1.037 462 V CA 1.199 63.572 62.300 0.121 0.000 1.029 462 V CB -0.438 31.471 31.823 0.143 0.000 0.663 462 V HN 0.375 nan 8.190 nan 0.000 0.454 463 R N 0.302 120.843 120.500 0.069 0.000 2.091 463 R HA -0.133 4.208 4.340 0.001 0.000 0.238 463 R C 2.078 178.412 176.300 0.057 0.000 1.136 463 R CA 1.170 57.303 56.100 0.056 0.000 0.959 463 R CB -0.218 30.108 30.300 0.042 0.000 0.856 463 R HN 0.330 nan 8.270 nan 0.000 0.437 464 K N 0.461 120.899 120.400 0.064 0.000 2.393 464 K HA 0.043 4.364 4.320 0.001 0.000 0.193 464 K C 0.136 176.781 176.600 0.074 0.000 1.026 464 K CA 0.230 56.558 56.287 0.067 0.000 1.064 464 K CB 0.372 32.916 32.500 0.074 0.000 0.833 464 K HN 0.237 nan 8.250 nan 0.000 0.521 465 Q N 0.588 120.436 119.800 0.080 0.000 2.463 465 Q HA -0.172 4.168 4.340 0.001 0.000 0.299 465 Q C -0.943 175.110 176.000 0.089 0.000 1.353 465 Q CA 0.268 56.120 55.803 0.083 0.000 0.828 465 Q CB -1.979 26.800 28.738 0.069 0.000 1.157 465 Q HN 0.250 nan 8.270 nan 0.000 0.436 466 L N 1.623 122.907 121.223 0.102 0.000 2.257 466 L HA 0.302 4.643 4.340 0.001 0.000 0.290 466 L C -1.447 175.491 176.870 0.114 0.000 1.044 466 L CA -1.892 53.010 54.840 0.104 0.000 0.810 466 L CB 0.578 42.704 42.059 0.111 0.000 1.193 466 L HN -0.059 nan 8.230 nan 0.000 0.425 467 P HA 0.038 nan 4.420 nan 0.000 0.235 467 P C -0.171 177.189 177.300 0.099 0.000 1.725 467 P CA -0.340 62.824 63.100 0.107 0.000 0.894 467 P CB 0.042 31.797 31.700 0.091 0.000 1.704 468 L N 0.673 121.958 121.223 0.104 0.000 2.456 468 L HA 0.171 4.512 4.340 0.001 0.000 0.272 468 L C -0.058 176.866 176.870 0.090 0.000 1.189 468 L CA 0.052 54.935 54.840 0.072 0.000 0.846 468 L CB -0.022 42.071 42.059 0.057 0.000 1.111 468 L HN -0.039 nan 8.230 nan 0.000 0.475 469 I N 5.533 126.131 120.570 0.046 0.000 2.321 469 I HA 0.274 4.444 4.170 0.001 0.000 0.291 469 I C -0.670 175.456 176.117 0.014 0.000 0.998 469 I CA -0.653 60.684 61.300 0.062 0.000 1.227 469 I CB 1.493 39.507 38.000 0.024 0.000 1.368 469 I HN 0.265 nan 8.210 nan 0.000 0.466 470 V N 7.983 127.937 119.914 0.067 0.000 2.328 470 V HA 0.384 4.504 4.120 0.001 0.000 0.278 470 V C 0.156 176.282 176.094 0.054 0.000 1.021 470 V CA -0.368 61.916 62.300 -0.027 0.000 0.838 470 V CB 1.115 32.889 31.823 -0.082 0.000 0.999 470 V HN 0.473 nan 8.190 nan 0.000 0.447 471 I N 6.555 127.125 120.570 0.001 0.000 2.312 471 I HA 0.461 4.632 4.170 0.001 0.000 0.290 471 I C -0.041 176.046 176.117 -0.051 0.000 1.008 471 I CA -0.111 61.198 61.300 0.014 0.000 1.226 471 I CB 1.226 39.273 38.000 0.079 0.000 1.371 471 I HN 0.449 nan 8.210 nan 0.000 0.468 475 N N 2.084 120.760 118.700 -0.040 0.000 2.279 475 N HA 0.077 4.818 4.740 0.001 0.000 0.226 475 N C -0.361 175.148 175.510 -0.002 0.000 1.126 475 N CA -0.018 53.018 53.050 -0.023 0.000 0.846 475 N CB 0.186 38.661 38.487 -0.021 0.000 1.050 475 N HN 0.444 nan 8.380 nan 0.000 0.502 476 Q N -0.679 119.125 119.800 0.005 0.000 2.461 476 Q HA -0.201 4.139 4.340 0.001 0.000 0.273 476 Q C -0.895 175.100 176.000 -0.009 0.000 1.163 476 Q CA 1.304 57.115 55.803 0.013 0.000 0.929 476 Q CB -2.723 26.030 28.738 0.025 0.000 1.334 476 Q HN 0.854 nan 8.270 nan 0.000 0.499 477 S N -3.052 112.617 115.700 -0.053 0.000 2.633 477 S HA 0.484 4.955 4.470 0.001 0.000 0.271 477 S C -1.222 173.342 174.600 -0.059 0.000 1.112 477 S CA -1.146 57.033 58.200 -0.035 0.000 0.828 477 S CB 0.439 63.682 63.200 0.072 0.000 1.086 477 S HN 0.286 nan 8.310 nan 0.000 0.461 478 W N 1.993 123.329 121.300 0.060 0.000 2.510 478 W HA 0.499 5.160 4.660 0.001 0.000 0.388 478 W C 1.483 178.022 176.519 0.032 0.000 1.092 478 W CA 0.069 57.446 57.345 0.053 0.000 1.562 478 W CB 0.142 29.640 29.460 0.062 0.000 1.603 478 W HN 1.062 nan 8.180 nan 0.000 0.396 479 G N 1.779 110.678 108.800 0.166 0.000 2.414 479 G HA2 -0.225 3.735 3.960 0.001 0.000 0.215 479 G HA3 -0.225 3.735 3.960 0.001 0.000 0.215 479 G C 1.663 176.510 174.900 -0.088 0.000 1.188 479 G CA 1.012 46.118 45.100 0.010 0.000 0.783 479 G HN 0.548 nan 8.290 nan 0.000 0.537 480 A N -0.447 122.347 122.820 -0.043 0.000 1.972 480 A HA 0.016 4.337 4.320 0.001 0.000 0.219 480 A C 2.431 180.085 177.584 0.117 0.000 1.169 480 A CA 2.393 54.408 52.037 -0.037 0.000 0.635 480 A CB -0.770 18.227 19.000 -0.005 0.000 0.810 480 A HN 0.347 nan 8.150 nan 0.000 0.446 481 T N -0.818 113.819 114.554 0.138 0.000 2.942 481 T HA 0.043 4.394 4.350 0.001 0.000 0.265 481 T C 1.771 176.610 174.700 0.232 0.000 1.062 481 T CA 1.101 63.294 62.100 0.154 0.000 1.139 481 T CB -0.305 68.616 68.868 0.088 0.000 0.883 481 T HN 0.389 nan 8.240 nan 0.000 0.468 482 L N -0.154 121.209 121.223 0.234 0.000 2.056 482 L HA -0.073 4.268 4.340 0.001 0.000 0.207 482 L C 2.431 179.482 176.870 0.301 0.000 1.078 482 L CA 1.602 56.592 54.840 0.250 0.000 0.749 482 L CB -0.319 41.883 42.059 0.238 0.000 0.901 482 L HN 0.456 nan 8.230 nan 0.000 0.433 483 H N -1.574 117.579 119.070 0.138 0.000 2.290 483 H HA -0.274 4.282 4.556 0.001 0.000 0.298 483 H C 2.103 177.494 175.328 0.105 0.000 1.087 483 H CA 1.776 57.886 56.048 0.103 0.000 1.291 483 H CB -0.208 29.608 29.762 0.090 0.000 1.369 483 H HN 0.402 nan 8.280 nan 0.000 0.492 484 F N 2.193 122.240 119.950 0.161 0.000 2.087 484 F HA -0.310 4.217 4.527 0.001 0.000 0.299 484 F C 2.520 178.358 175.800 0.062 0.000 1.100 484 F CA 1.755 59.806 58.000 0.084 0.000 1.226 484 F CB -0.219 38.818 39.000 0.060 0.000 0.983 484 F HN 0.148 nan 8.300 nan 0.000 0.479 485 Q N -0.308 119.635 119.800 0.239 0.000 2.020 485 Q HA -0.260 4.081 4.340 0.001 0.000 0.202 485 Q C 2.237 178.229 176.000 -0.012 0.000 0.982 485 Q CA 2.100 57.975 55.803 0.120 0.000 0.838 485 Q CB -0.387 28.453 28.738 0.170 0.000 0.899 485 Q HN 0.609 nan 8.270 nan 0.000 0.423 486 Q N -0.026 119.780 119.800 0.010 0.000 2.050 486 Q HA -0.159 4.181 4.340 0.001 0.000 0.202 486 Q C 2.027 177.975 176.000 -0.087 0.000 0.980 486 Q CA 0.928 56.712 55.803 -0.031 0.000 0.840 486 Q CB -0.045 28.677 28.738 -0.027 0.000 0.898 486 Q HN 0.211 nan 8.270 nan 0.000 0.424 487 L N 0.228 121.380 121.223 -0.118 0.000 2.027 487 L HA -0.075 4.266 4.340 0.001 0.000 0.206 487 L C 2.188 178.924 176.870 -0.225 0.000 1.074 487 L CA 1.970 56.718 54.840 -0.152 0.000 0.745 487 L CB -1.175 40.808 42.059 -0.128 0.000 0.898 487 L HN 0.189 nan 8.230 nan 0.000 0.433 488 A N -2.087 120.490 122.820 -0.405 0.000 2.147 488 A HA 0.174 4.495 4.320 0.001 0.000 0.211 488 A C 1.933 179.347 177.584 -0.283 0.000 1.160 488 A CA 1.034 52.788 52.037 -0.471 0.000 0.781 488 A CB 0.013 18.384 19.000 -1.048 0.000 0.842 488 A HN 0.212 nan 8.150 nan 0.000 0.475 489 V N -2.209 117.583 119.914 -0.203 0.000 3.137 489 V HA 0.545 4.665 4.120 0.001 0.000 0.236 489 V C 0.990 177.050 176.094 -0.057 0.000 1.260 489 V CA 0.490 62.735 62.300 -0.092 0.000 1.244 489 V CB -0.228 31.574 31.823 -0.035 0.000 1.016 489 V HN 0.958 nan 8.190 nan 0.000 0.477 490 G N 0.448 109.215 108.800 -0.054 0.000 2.337 490 G HA2 0.200 4.160 3.960 0.001 0.000 0.310 490 G HA3 0.200 4.160 3.960 0.001 0.000 0.310 490 G C -2.623 172.267 174.900 -0.018 0.000 1.534 490 G CA 0.021 45.101 45.100 -0.034 0.000 0.982 490 G HN -0.065 nan 8.290 nan 0.000 0.672 491 P HA -0.147 nan 4.420 nan 0.000 0.217 491 P C 0.886 178.192 177.300 0.010 0.000 1.151 491 P CA 1.746 64.843 63.100 -0.005 0.000 0.849 491 P CB -0.100 31.596 31.700 -0.007 0.000 0.787 492 N N -1.145 117.561 118.700 0.011 0.000 2.380 492 N HA 0.112 4.852 4.740 0.001 0.000 0.255 492 N C 0.440 175.965 175.510 0.025 0.000 1.158 492 N CA -0.447 52.614 53.050 0.019 0.000 0.878 492 N CB 0.300 38.797 38.487 0.016 0.000 1.138 492 N HN -0.020 nan 8.380 nan 0.000 0.509 493 R N 1.138 121.655 120.500 0.028 0.000 2.633 493 R HA 0.154 4.494 4.340 0.001 0.000 0.348 493 R C -0.031 176.304 176.300 0.057 0.000 1.100 493 R CA -0.292 55.830 56.100 0.037 0.000 1.068 493 R CB 0.210 30.526 30.300 0.027 0.000 1.351 493 R HN 0.130 nan 8.270 nan 0.000 0.575 494 V N 1.461 121.412 119.914 0.062 0.000 2.389 494 V HA 0.401 4.522 4.120 0.001 0.000 0.264 494 V C -0.807 175.336 176.094 0.081 0.000 1.049 494 V CA 0.402 62.752 62.300 0.083 0.000 0.932 494 V CB 0.964 32.839 31.823 0.086 0.000 1.011 494 V HN 0.315 nan 8.190 nan 0.000 0.475 495 T N 4.176 118.784 114.554 0.089 0.000 2.933 495 T HA 0.635 4.986 4.350 0.001 0.000 0.305 495 T C 0.686 175.442 174.700 0.094 0.000 1.092 495 T CA 0.055 62.205 62.100 0.082 0.000 1.008 495 T CB 1.449 70.356 68.868 0.064 0.000 1.102 495 T HN 1.578 nan 8.240 nan 0.000 0.469 496 G N 1.580 110.441 108.800 0.101 0.000 2.166 496 G HA2 -0.333 3.627 3.960 0.001 0.000 0.260 496 G HA3 -0.333 3.627 3.960 0.001 0.000 0.260 496 G C 0.727 175.737 174.900 0.184 0.000 0.986 496 G CA 1.244 46.413 45.100 0.114 0.000 0.683 496 G HN 1.227 nan 8.290 nan 0.000 0.527 497 T N -3.045 111.639 114.554 0.216 0.000 2.985 497 T HA 0.410 4.760 4.350 0.001 0.000 0.254 497 T C 1.023 175.921 174.700 0.329 0.000 1.021 497 T CA -0.004 62.291 62.100 0.327 0.000 0.957 497 T CB 0.561 69.572 68.868 0.238 0.000 1.047 497 T HN 0.475 nan 8.240 nan 0.000 0.511 498 R N 0.983 121.611 120.500 0.213 0.000 2.490 498 R HA 0.597 4.937 4.340 0.001 0.000 0.278 498 R C -0.626 175.728 176.300 0.089 0.000 1.069 498 R CA -0.341 55.837 56.100 0.130 0.000 1.080 498 R CB 0.882 31.239 30.300 0.095 0.000 1.030 498 R HN 0.274 nan 8.270 nan 0.000 0.491 499 L N 2.840 124.069 121.223 0.010 0.000 2.551 499 L HA 0.240 4.580 4.340 0.001 0.000 0.248 499 L C -0.381 176.486 176.870 -0.005 0.000 1.509 499 L CA 0.015 54.834 54.840 -0.035 0.000 0.842 499 L CB 1.021 42.969 42.059 -0.185 0.000 1.087 499 L HN 0.575 nan 8.230 nan 0.000 0.512 500 E N 1.763 121.969 120.200 0.010 0.000 2.261 500 E HA 0.198 4.548 4.350 0.001 0.000 0.308 500 E C -0.480 176.113 176.600 -0.012 0.000 1.400 500 E CA -0.144 56.261 56.400 0.008 0.000 1.542 500 E CB 0.158 29.868 29.700 0.017 0.000 1.369 500 E HN 0.384 nan 8.360 nan 0.000 0.493 501 N N -0.051 118.630 118.700 -0.033 0.000 3.171 501 N HA 0.409 5.150 4.740 0.001 0.000 0.239 501 N C -1.479 173.931 175.510 -0.166 0.000 1.275 501 N CA 0.209 53.213 53.050 -0.077 0.000 0.920 501 N CB 1.713 40.163 38.487 -0.062 0.000 1.554 501 N HN 0.201 nan 8.380 nan 0.000 0.504 502 G N 0.774 109.434 108.800 -0.233 0.000 3.421 502 G HA2 0.032 3.993 3.960 0.001 0.000 0.686 502 G HA3 0.032 3.993 3.960 0.001 0.000 0.686 502 G C -0.739 173.829 174.900 -0.553 0.000 1.056 502 G CA -0.271 44.575 45.100 -0.424 0.000 0.891 502 G HN 0.803 nan 8.290 nan 0.000 0.514 503 S N 2.357 117.800 115.700 -0.429 0.000 2.681 503 S HA 0.467 4.937 4.470 0.001 0.000 0.313 503 S C 1.500 175.861 174.600 -0.397 0.000 1.137 503 S CA -0.344 57.625 58.200 -0.385 0.000 1.045 503 S CB -0.108 62.836 63.200 -0.427 0.000 1.208 503 S HN 0.540 nan 8.310 nan 0.000 0.523 504 Y N 3.589 123.898 120.300 0.014 0.000 2.274 504 Y HA -0.160 4.391 4.550 0.001 0.000 0.290 504 Y C 2.595 178.505 175.900 0.016 0.000 1.145 504 Y CA 1.827 59.964 58.100 0.061 0.000 1.203 504 Y CB -0.553 37.996 38.460 0.147 0.000 0.984 504 Y HN 0.841 nan 8.280 nan 0.000 0.533 505 H N -2.321 116.817 119.070 0.113 0.000 2.363 505 H HA 0.050 4.606 4.556 0.001 0.000 0.301 505 H C 2.436 177.725 175.328 -0.065 0.000 1.074 505 H CA 1.170 57.231 56.048 0.023 0.000 1.354 505 H CB -1.147 28.664 29.762 0.082 0.000 1.397 505 H HN 0.313 nan 8.280 nan 0.000 0.516 506 G N 1.426 109.859 108.800 -0.612 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 1.905 176.651 174.900 -0.256 0.000 1.150 506 G CA 1.664 46.521 45.100 -0.404 0.000 0.763 506 G HN 0.376 nan 8.290 nan 0.000 0.561 507 V N 1.454 121.247 119.914 -0.203 0.000 2.343 507 V HA -0.155 3.966 4.120 0.001 0.000 0.247 507 V C 3.320 179.346 176.094 -0.113 0.000 1.051 507 V CA 2.098 64.319 62.300 -0.133 0.000 1.036 507 V CB -0.844 31.012 31.823 0.056 0.000 0.654 507 V HN 0.499 nan 8.190 nan 0.000 0.451 508 A N -0.172 122.516 122.820 -0.219 0.000 1.902 508 A HA -0.087 4.234 4.320 0.001 0.000 0.217 508 A C 2.424 179.915 177.584 -0.155 0.000 1.181 508 A CA 2.027 53.797 52.037 -0.445 0.000 0.623 508 A CB -0.749 17.676 19.000 -0.958 0.000 0.818 508 A HN 0.563 nan 8.150 nan 0.000 0.443 509 A N 0.010 122.743 122.820 -0.146 0.000 1.877 509 A HA 0.153 4.473 4.320 0.001 0.000 0.216 509 A C 2.498 180.032 177.584 -0.082 0.000 1.186 509 A CA 2.094 54.074 52.037 -0.095 0.000 0.620 509 A CB -1.141 17.798 19.000 -0.102 0.000 0.822 509 A HN 1.165 nan 8.150 nan 0.000 0.443 510 A N -1.739 120.986 122.820 -0.158 0.000 2.084 510 A HA -0.039 4.282 4.320 0.001 0.000 0.221 510 A C 1.611 179.072 177.584 -0.205 0.000 1.161 510 A CA 1.464 53.369 52.037 -0.220 0.000 0.653 510 A CB -0.667 18.127 19.000 -0.342 0.000 0.802 510 A HN 0.458 nan 8.150 nan 0.000 0.457 511 F N -1.184 118.763 119.950 -0.004 0.000 2.765 511 F HA 0.350 4.877 4.527 0.001 0.000 0.302 511 F C 1.895 177.725 175.800 0.050 0.000 1.111 511 F CA 0.168 58.198 58.000 0.049 0.000 1.359 511 F CB -0.015 39.063 39.000 0.130 0.000 1.097 511 F HN 0.364 nan 8.300 nan 0.000 0.577 512 G N 0.027 108.923 108.800 0.161 0.000 2.175 512 G HA2 -0.125 3.836 3.960 0.001 0.000 0.244 512 G HA3 -0.125 3.836 3.960 0.001 0.000 0.244 512 G C 0.410 175.369 174.900 0.098 0.000 0.982 512 G CA -0.064 45.101 45.100 0.107 0.000 0.641 512 G HN 0.624 nan 8.290 nan 0.000 0.527 513 A N 0.337 123.223 122.820 0.111 0.000 2.316 513 A HA 0.576 4.897 4.320 0.001 0.000 0.284 513 A C 0.178 177.771 177.584 0.014 0.000 1.115 513 A CA -0.143 51.953 52.037 0.098 0.000 0.812 513 A CB 0.413 19.501 19.000 0.147 0.000 1.064 513 A HN 0.230 nan 8.150 nan 0.000 0.489 514 D N 1.391 121.809 120.400 0.030 0.000 2.487 514 D HA 0.350 4.991 4.640 0.001 0.000 0.243 514 D C 0.435 176.679 176.300 -0.093 0.000 1.154 514 D CA 1.129 55.090 54.000 -0.064 0.000 0.876 514 D CB 0.881 41.666 40.800 -0.026 0.000 1.161 514 D HN 0.640 nan 8.370 nan 0.000 0.478 515 G N 1.806 110.492 108.800 -0.191 0.000 2.478 515 G HA2 0.519 4.479 3.960 0.001 0.000 0.317 515 G HA3 0.519 4.479 3.960 0.001 0.000 0.317 515 G C -1.268 173.562 174.900 -0.116 0.000 1.259 515 G CA -0.553 44.519 45.100 -0.046 0.000 0.933 515 G HN 0.320 nan 8.290 nan 0.000 0.478 516 Y N 0.161 120.514 120.300 0.089 0.000 2.499 516 Y HA 0.542 5.093 4.550 0.001 0.000 0.347 516 Y C -0.065 175.767 175.900 -0.114 0.000 0.987 516 Y CA -0.981 57.128 58.100 0.016 0.000 1.044 516 Y CB 2.786 41.267 38.460 0.034 0.000 1.245 516 Y HN 0.706 nan 8.280 nan 0.000 0.461 517 H N 1.830 120.794 119.070 -0.176 0.000 2.589 517 H HA 0.748 5.305 4.556 0.001 0.000 0.351 517 H C -1.538 173.723 175.328 -0.112 0.000 1.074 517 H CA -0.822 55.034 56.048 -0.321 0.000 1.203 517 H CB 1.401 30.740 29.762 -0.705 0.000 1.558 517 H HN 0.552 nan 8.280 nan 0.000 0.522 518 V N 2.151 121.716 119.914 -0.582 0.000 3.049 518 V HA 0.504 4.624 4.120 0.001 0.000 0.309 518 V C -0.980 174.863 176.094 -0.418 0.000 1.148 518 V CA -0.719 61.390 62.300 -0.319 0.000 0.990 518 V CB 2.366 34.123 31.823 -0.111 0.000 1.039 518 V HN 0.966 nan 8.190 nan 0.000 0.430 519 D N -0.019 120.259 120.400 -0.204 0.000 2.651 519 D HA 0.471 5.111 4.640 0.001 0.000 0.280 519 D C -0.094 176.160 176.300 -0.076 0.000 1.496 519 D CA 0.315 54.219 54.000 -0.160 0.000 0.792 519 D CB 0.524 41.267 40.800 -0.095 0.000 1.144 519 D HN 0.831 nan 8.370 nan 0.000 0.470 520 S N -1.197 114.480 115.700 -0.038 0.000 2.565 520 S HA 0.331 4.802 4.470 0.001 0.000 0.269 520 S C 0.614 175.253 174.600 0.065 0.000 1.153 520 S CA -0.535 57.672 58.200 0.013 0.000 0.835 520 S CB 1.367 64.577 63.200 0.017 0.000 1.122 520 S HN -0.166 nan 8.310 nan 0.000 0.462 521 V N 3.192 123.137 119.914 0.051 0.000 2.287 521 V HA -0.181 3.940 4.120 0.001 0.000 0.248 521 V C 2.497 178.616 176.094 0.042 0.000 1.053 521 V CA 2.749 65.082 62.300 0.056 0.000 1.027 521 V CB -0.905 30.903 31.823 -0.024 0.000 0.646 521 V HN 0.943 nan 8.190 nan 0.000 0.447 522 E N 0.942 121.152 120.200 0.018 0.000 2.076 522 E HA -0.169 4.181 4.350 0.001 0.000 0.190 522 E C 2.188 178.798 176.600 0.017 0.000 0.979 522 E CA 1.480 57.882 56.400 0.003 0.000 0.807 522 E CB -0.510 29.187 29.700 -0.006 0.000 0.761 522 E HN 0.649 nan 8.360 nan 0.000 0.454 523 S N 0.599 116.322 115.700 0.038 0.000 2.382 523 S HA -0.180 4.291 4.470 0.001 0.000 0.228 523 S C 1.917 176.569 174.600 0.087 0.000 1.027 523 S CA 0.803 59.031 58.200 0.046 0.000 0.991 523 S CB -0.677 62.544 63.200 0.035 0.000 0.823 523 S HN 0.378 nan 8.310 nan 0.000 0.469 524 F N 2.630 122.529 119.950 -0.085 0.000 2.134 524 F HA 0.060 4.587 4.527 0.001 0.000 0.299 524 F C 2.652 178.390 175.800 -0.103 0.000 1.097 524 F CA 0.732 58.668 58.000 -0.107 0.000 1.264 524 F CB -1.173 37.772 39.000 -0.093 0.000 1.001 524 F HN 0.285 nan 8.300 nan 0.000 0.479 525 S N 0.058 115.669 115.700 -0.149 0.000 2.353 525 S HA -0.194 4.276 4.470 0.001 0.000 0.222 525 S C 2.376 176.871 174.600 -0.176 0.000 1.035 525 S CA 1.472 59.539 58.200 -0.221 0.000 1.025 525 S CB -0.871 62.261 63.200 -0.113 0.000 0.902 525 S HN 0.521 nan 8.310 nan 0.000 0.440 526 A N 1.161 123.918 122.820 -0.105 0.000 1.908 526 A HA 0.052 4.373 4.320 0.001 0.000 0.218 526 A C 2.370 179.858 177.584 -0.161 0.000 1.181 526 A CA 2.063 54.045 52.037 -0.091 0.000 0.627 526 A CB -1.248 17.732 19.000 -0.033 0.000 0.818 526 A HN 0.666 nan 8.150 nan 0.000 0.445 527 A N -0.686 122.013 122.820 -0.201 0.000 1.873 527 A HA 0.011 4.332 4.320 0.001 0.000 0.215 527 A C 2.124 179.375 177.584 -0.555 0.000 1.186 527 A CA 1.694 53.466 52.037 -0.442 0.000 0.616 527 A CB -0.660 18.134 19.000 -0.344 0.000 0.823 527 A HN 0.665 nan 8.150 nan 0.000 0.442 528 L N -0.142 120.820 121.223 -0.435 0.000 2.046 528 L HA -0.056 4.284 4.340 0.001 0.000 0.208 528 L C 2.655 179.248 176.870 -0.462 0.000 1.077 528 L CA 2.128 56.680 54.840 -0.480 0.000 0.747 528 L CB -0.904 40.752 42.059 -0.671 0.000 0.896 528 L HN 0.360 nan 8.230 nan 0.000 0.432 529 A N -1.129 121.477 122.820 -0.355 0.000 1.877 529 A HA -0.292 4.028 4.320 0.001 0.000 0.216 529 A C 2.325 179.771 177.584 -0.229 0.000 1.186 529 A CA 1.826 53.729 52.037 -0.224 0.000 0.620 529 A CB -0.708 18.235 19.000 -0.093 0.000 0.822 529 A HN 0.627 nan 8.150 nan 0.000 0.443 530 Q N -0.721 118.933 119.800 -0.242 0.000 2.084 530 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 530 Q C 2.179 177.983 176.000 -0.328 0.000 0.978 530 Q CA 1.645 57.293 55.803 -0.258 0.000 0.844 530 Q CB -0.324 28.354 28.738 -0.100 0.000 0.898 530 Q HN 0.630 nan 8.270 nan 0.000 0.426 531 A N 0.253 122.926 122.820 -0.245 0.000 1.897 531 A HA -0.126 4.195 4.320 0.001 0.000 0.215 531 A C 1.886 179.416 177.584 -0.091 0.000 1.181 531 A CA 0.838 52.826 52.037 -0.082 0.000 0.620 531 A CB -0.521 18.428 19.000 -0.085 0.000 0.821 531 A HN 0.406 nan 8.150 nan 0.000 0.443 532 L N -0.408 120.713 121.223 -0.170 0.000 2.127 532 L HA -0.152 4.189 4.340 0.001 0.000 0.211 532 L C 2.757 179.569 176.870 -0.096 0.000 1.089 532 L CA 1.885 56.647 54.840 -0.131 0.000 0.757 532 L CB -1.439 40.512 42.059 -0.181 0.000 0.899 532 L HN 0.454 nan 8.230 nan 0.000 0.434 533 A N -2.410 120.304 122.820 -0.177 0.000 2.167 533 A HA -0.055 4.265 4.320 0.001 0.000 0.214 533 A C 0.526 178.083 177.584 -0.046 0.000 1.151 533 A CA 0.326 52.269 52.037 -0.156 0.000 0.735 533 A CB -0.468 18.389 19.000 -0.238 0.000 0.802 533 A HN 0.380 nan 8.150 nan 0.000 0.467 534 H N -0.317 118.776 119.070 0.038 0.000 2.467 534 H HA 0.228 4.784 4.556 0.001 0.000 0.326 534 H C -0.474 174.884 175.328 0.050 0.000 1.094 534 H CA -1.229 54.850 56.048 0.052 0.000 1.253 534 H CB 0.797 30.606 29.762 0.077 0.000 1.439 534 H HN 0.210 nan 8.280 nan 0.000 0.479 535 N N 3.108 121.915 118.700 0.178 0.000 3.103 535 N HA 0.012 4.752 4.740 0.001 0.000 0.305 535 N C -0.596 174.982 175.510 0.113 0.000 1.232 535 N CA 0.111 53.230 53.050 0.115 0.000 1.190 535 N CB -0.383 38.154 38.487 0.083 0.000 1.461 535 N HN 0.492 nan 8.380 nan 0.000 0.538 536 R N 0.781 121.366 120.500 0.141 0.000 2.594 536 R HA 0.402 4.743 4.340 0.001 0.000 0.265 536 R C -2.807 173.590 176.300 0.162 0.000 1.070 536 R CA -1.456 54.727 56.100 0.138 0.000 0.909 536 R CB 2.033 32.417 30.300 0.140 0.000 1.243 536 R HN 0.190 nan 8.270 nan 0.000 0.455 537 P HA 0.366 nan 4.420 nan 0.000 0.277 537 P C -1.515 175.932 177.300 0.245 0.000 1.240 537 P CA -0.305 62.921 63.100 0.210 0.000 0.798 537 P CB 1.697 33.540 31.700 0.239 0.000 0.979 538 A N 1.236 124.228 122.820 0.287 0.000 2.606 538 A HA 0.591 4.911 4.320 0.001 0.000 0.293 538 A C -1.459 176.333 177.584 0.346 0.000 1.082 538 A CA -0.538 51.684 52.037 0.308 0.000 0.685 538 A CB 1.317 20.535 19.000 0.364 0.000 1.284 538 A HN 0.647 nan 8.150 nan 0.000 0.408 539 C N 1.907 121.378 119.300 0.285 0.000 2.364 539 C HA 0.785 5.245 4.460 0.001 0.000 0.324 539 C C -1.031 174.140 174.990 0.300 0.000 1.234 539 C CA -0.526 58.649 59.018 0.263 0.000 1.417 539 C CB -0.946 26.792 27.740 -0.003 0.000 2.101 539 C HN 0.593 nan 8.230 nan 0.000 0.466 540 I N 6.168 126.876 120.570 0.231 0.000 2.390 540 I HA 0.283 4.453 4.170 0.001 0.000 0.283 540 I C -0.184 175.972 176.117 0.065 0.000 1.016 540 I CA -0.091 61.313 61.300 0.173 0.000 1.151 540 I CB 0.785 38.858 38.000 0.122 0.000 1.293 540 I HN 0.606 nan 8.210 nan 0.000 0.458 541 N N 6.579 125.323 118.700 0.074 0.000 2.415 541 N HA 0.201 4.941 4.740 0.001 0.000 0.246 541 N C -0.943 174.443 175.510 -0.206 0.000 1.078 541 N CA -0.127 52.954 53.050 0.052 0.000 0.942 541 N CB 1.037 39.709 38.487 0.308 0.000 1.140 541 N HN 0.262 nan 8.380 nan 0.000 0.501 542 V N 2.798 122.547 119.914 -0.275 0.000 2.318 542 V HA 0.451 4.571 4.120 0.001 0.000 0.271 542 V C 0.566 176.469 176.094 -0.319 0.000 1.030 542 V CA -1.330 60.701 62.300 -0.449 0.000 0.844 542 V CB 0.605 32.001 31.823 -0.712 0.000 1.015 542 V HN 0.718 nan 8.190 nan 0.000 0.460 543 A N 5.295 127.915 122.820 -0.334 0.000 2.491 543 A HA 0.547 4.867 4.320 0.001 0.000 0.261 543 A C -0.222 177.255 177.584 -0.179 0.000 1.101 543 A CA 0.162 52.092 52.037 -0.178 0.000 0.772 543 A CB 0.237 19.162 19.000 -0.125 0.000 1.043 543 A HN 0.690 nan 8.150 nan 0.000 0.501 544 V N 2.188 122.016 119.914 -0.142 0.000 2.876 544 V HA 0.634 4.755 4.120 0.001 0.000 0.312 544 V C 0.656 176.675 176.094 -0.125 0.000 1.085 544 V CA -0.275 61.934 62.300 -0.153 0.000 0.945 544 V CB 1.978 33.694 31.823 -0.178 0.000 1.017 544 V HN 1.303 nan 8.190 nan 0.000 0.428 545 A N 2.841 125.573 122.820 -0.147 0.000 2.466 545 A HA 0.400 4.720 4.320 0.001 0.000 0.238 545 A C 0.545 178.071 177.584 -0.097 0.000 1.074 545 A CA 0.354 52.317 52.037 -0.125 0.000 0.774 545 A CB 0.272 19.180 19.000 -0.153 0.000 1.015 545 A HN 0.993 nan 8.150 nan 0.000 0.498 546 L N 0.267 121.480 121.223 -0.015 0.000 2.388 546 L HA 0.197 4.537 4.340 0.001 0.000 0.209 546 L C 1.377 178.381 176.870 0.223 0.000 1.061 546 L CA 1.526 56.415 54.840 0.082 0.000 0.834 546 L CB -0.370 41.747 42.059 0.096 0.000 1.029 546 L HN 0.709 nan 8.230 nan 0.000 0.473 547 D N 0.326 120.799 120.400 0.122 0.000 2.149 547 D HA -0.069 4.572 4.640 0.001 0.000 0.198 547 D C -1.459 174.907 176.300 0.109 0.000 0.990 547 D CA 0.872 54.924 54.000 0.087 0.000 0.839 547 D CB -1.484 39.332 40.800 0.026 0.000 0.948 547 D HN 0.321 nan 8.370 nan 0.000 0.460 548 P HA 0.065 nan 4.420 nan 0.000 0.266 548 P C -0.301 177.300 177.300 0.502 0.000 1.195 548 P CA 0.292 63.523 63.100 0.218 0.000 0.768 548 P CB 0.542 32.168 31.700 -0.123 0.000 0.838 549 I N 5.179 125.994 120.570 0.407 0.000 2.330 549 I HA 0.278 4.449 4.170 0.001 0.000 0.289 549 I C -2.003 174.063 176.117 -0.085 0.000 1.001 549 I CA -2.558 58.881 61.300 0.230 0.000 1.193 549 I CB 1.565 39.609 38.000 0.073 0.000 1.345 549 I HN 0.182 nan 8.210 nan 0.000 0.461 550 P HA 0.179 nan 4.420 nan 0.000 0.271 550 P C -2.300 174.623 177.300 -0.629 0.000 1.216 550 P CA -1.487 60.749 63.100 -1.440 0.000 0.776 550 P CB 0.435 31.048 31.700 -1.812 0.000 0.881 551 P HA -0.220 nan 4.420 nan 0.000 0.216 551 P C 1.452 178.582 177.300 -0.284 0.000 1.154 551 P CA 1.681 64.604 63.100 -0.296 0.000 0.865 551 P CB -0.018 31.541 31.700 -0.235 0.000 0.789 552 E N -0.449 119.578 120.200 -0.289 0.000 2.153 552 E HA -0.223 4.128 4.350 0.001 0.000 0.194 552 E C 1.996 178.488 176.600 -0.179 0.000 0.988 552 E CA 0.994 57.268 56.400 -0.211 0.000 0.811 552 E CB -0.543 29.069 29.700 -0.146 0.000 0.746 552 E HN 0.498 nan 8.360 nan 0.000 0.466 553 E N 0.710 120.781 120.200 -0.214 0.000 2.110 553 E HA -0.143 4.208 4.350 0.001 0.000 0.193 553 E C 1.807 178.369 176.600 -0.064 0.000 0.988 553 E CA 0.527 56.854 56.400 -0.121 0.000 0.804 553 E CB -0.072 29.566 29.700 -0.103 0.000 0.745 553 E HN 0.198 nan 8.360 nan 0.000 0.458 554 L N 1.393 122.559 121.223 -0.094 0.000 2.700 554 L HA 0.024 4.365 4.340 0.001 0.000 0.240 554 L C 0.824 177.663 176.870 -0.051 0.000 1.162 554 L CA 0.051 54.853 54.840 -0.064 0.000 0.874 554 L CB -0.285 41.725 42.059 -0.082 0.000 1.001 554 L HN 0.196 nan 8.230 nan 0.000 0.447 555 I N 0.000 120.536 120.570 -0.056 0.000 2.984 555 I HA 0.000 4.170 4.170 0.001 0.000 0.288 555 I CA 0.000 61.281 61.300 -0.032 0.000 1.566 555 I CB 0.000 37.936 38.000 -0.107 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494