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_C DATA FIRST_RESID 4 DATA SEQUENCE ITGGELVVRT LIKAGVEHLF GLHGAHIDTI FQACLDHDVP IIDTRHEAAA DATA SEQUENCE GHAAEGYARA GAKLGVALVT AGGGFTNAVT PIANAWLDRT PVLFLTGSGA DATA SEQUENCE LRDDETNTLQ AGIDQVAXAA PITKWAHRVX ATEHIPRLVX QAIRAALSAP DATA SEQUENCE RGPVLLDLPW DILXNQIDED SVIIPDLVLS AHGARPDPAD LDQALALLRK DATA SEQUENCE AERPVIVLGS EASRTARKTA LSAFVAATGV PVFADYEGLS XLSGLPDAXR DATA SEQUENCE GGLVQNLYSF AKADAAPDLV LXLGARFGLN TGHGSGQLIP HSAQVIQVDP DATA SEQUENCE DACELGRLQG IALGIVADVG GTIEALAQAT AQDAAWPDRG DWCAKVTDLA DATA SEQUENCE QERYASIAAK SSSEHALHPF HASQVIAKHV DAGVTVVADG ALTYLWLSEV DATA SEQUENCE XSRVKPGGFL CHGYLGSXGV GFGTALGAQV ADLEAGRRTI LVTGDGSVGY DATA SEQUENCE SIGEFDTLVR KQLPLIVIIX NNQSWGATLH FQQLAVGPNR VTGTRLENGS DATA SEQUENCE YHGVAAAFGA DGYHVDSVES FSAALAQALA HNRPACINVA VALDPIPPEE DATA SEQUENCE LI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.134 176.117 0.029 0.000 1.063 4 I CA 0.000 61.318 61.300 0.030 0.000 1.566 4 I CB 0.000 38.024 38.000 0.040 0.000 1.214 5 T N -0.129 114.448 114.554 0.039 0.000 2.899 5 T HA 0.491 4.841 4.350 0.001 0.000 0.284 5 T C 1.174 175.901 174.700 0.045 0.000 1.004 5 T CA 0.029 62.154 62.100 0.041 0.000 1.043 5 T CB 1.405 70.306 68.868 0.055 0.000 1.013 5 T HN 1.092 nan 8.240 nan 0.000 0.518 6 G N 0.730 109.556 108.800 0.044 0.000 2.450 6 G HA2 -0.039 3.922 3.960 0.001 0.000 0.220 6 G HA3 -0.039 3.922 3.960 0.001 0.000 0.220 6 G C 1.552 176.486 174.900 0.058 0.000 1.130 6 G CA 0.622 45.751 45.100 0.048 0.000 0.760 6 G HN 1.055 nan 8.290 nan 0.000 0.557 7 G N 0.373 109.216 108.800 0.072 0.000 2.440 7 G HA2 -0.188 3.773 3.960 0.001 0.000 0.218 7 G HA3 -0.188 3.773 3.960 0.001 0.000 0.218 7 G C 1.644 176.581 174.900 0.061 0.000 1.154 7 G CA 1.127 46.272 45.100 0.076 0.000 0.767 7 G HN 0.358 nan 8.290 nan 0.000 0.552 8 E N 0.027 120.267 120.200 0.066 0.000 2.051 8 E HA -0.085 4.266 4.350 0.001 0.000 0.192 8 E C 2.691 179.311 176.600 0.034 0.000 0.991 8 E CA 0.525 56.966 56.400 0.068 0.000 0.799 8 E CB -0.380 29.368 29.700 0.080 0.000 0.748 8 E HN 0.227 nan 8.360 nan 0.000 0.449 9 L N 0.571 121.815 121.223 0.034 0.000 2.043 9 L HA -0.193 4.147 4.340 0.001 0.000 0.212 9 L C 2.561 179.439 176.870 0.013 0.000 1.075 9 L CA 1.160 56.014 54.840 0.024 0.000 0.752 9 L CB -1.349 40.731 42.059 0.036 0.000 0.891 9 L HN -0.006 nan 8.230 nan 0.000 0.432 10 V N -1.261 118.665 119.914 0.020 0.000 2.255 10 V HA -0.286 3.835 4.120 0.001 0.000 0.247 10 V C 2.502 178.582 176.094 -0.023 0.000 1.051 10 V CA 1.642 63.949 62.300 0.011 0.000 1.018 10 V CB -0.486 31.349 31.823 0.020 0.000 0.641 10 V HN 0.243 nan 8.190 nan 0.000 0.445 11 V N -0.402 119.489 119.914 -0.039 0.000 2.427 11 V HA -0.210 3.911 4.120 0.001 0.000 0.248 11 V C 2.557 178.555 176.094 -0.160 0.000 1.051 11 V CA 1.851 64.097 62.300 -0.091 0.000 1.048 11 V CB -0.795 30.986 31.823 -0.070 0.000 0.666 11 V HN 0.449 nan 8.190 nan 0.000 0.456 12 R N -0.168 120.239 120.500 -0.155 0.000 2.096 12 R HA -0.138 4.203 4.340 0.001 0.000 0.235 12 R C 2.379 178.615 176.300 -0.106 0.000 1.127 12 R CA 1.948 57.940 56.100 -0.179 0.000 0.968 12 R CB -0.596 29.640 30.300 -0.107 0.000 0.861 12 R HN 0.526 nan 8.270 nan 0.000 0.440 13 T N 1.407 115.926 114.554 -0.058 0.000 2.777 13 T HA -0.040 4.311 4.350 0.001 0.000 0.266 13 T C 1.878 176.556 174.700 -0.036 0.000 1.040 13 T CA 0.846 62.929 62.100 -0.030 0.000 1.141 13 T CB -0.099 68.769 68.868 0.001 0.000 0.868 13 T HN 0.121 nan 8.240 nan 0.000 0.444 14 L N 0.767 121.961 121.223 -0.048 0.000 2.042 14 L HA -0.084 4.257 4.340 0.001 0.000 0.210 14 L C 2.542 179.374 176.870 -0.062 0.000 1.076 14 L CA 0.989 55.800 54.840 -0.049 0.000 0.749 14 L CB -0.703 41.318 42.059 -0.063 0.000 0.893 14 L HN 0.253 nan 8.230 nan 0.000 0.432 15 I N 0.062 120.573 120.570 -0.098 0.000 2.163 15 I HA -0.308 3.863 4.170 0.001 0.000 0.243 15 I C 2.490 178.570 176.117 -0.061 0.000 1.085 15 I CA 1.678 62.917 61.300 -0.101 0.000 1.347 15 I CB -0.889 37.013 38.000 -0.163 0.000 1.044 15 I HN 0.330 nan 8.210 nan 0.000 0.408 16 K N 0.699 121.066 120.400 -0.055 0.000 2.211 16 K HA -0.055 4.266 4.320 0.001 0.000 0.203 16 K C 2.058 178.647 176.600 -0.018 0.000 1.050 16 K CA 1.175 57.443 56.287 -0.032 0.000 0.945 16 K CB -0.014 32.471 32.500 -0.026 0.000 0.732 16 K HN 0.291 nan 8.250 nan 0.000 0.451 17 A N 0.109 122.919 122.820 -0.016 0.000 2.119 17 A HA 0.066 4.387 4.320 0.001 0.000 0.217 17 A C 1.382 178.968 177.584 0.002 0.000 1.153 17 A CA 1.247 53.282 52.037 -0.002 0.000 0.692 17 A CB -0.238 18.766 19.000 0.005 0.000 0.799 17 A HN 0.433 nan 8.150 nan 0.000 0.458 18 G N -1.293 107.504 108.800 -0.006 0.000 2.141 18 G HA2 -0.092 3.869 3.960 0.001 0.000 0.231 18 G HA3 -0.092 3.869 3.960 0.001 0.000 0.231 18 G C 0.441 175.351 174.900 0.017 0.000 0.984 18 G CA 0.475 45.577 45.100 0.003 0.000 0.660 18 G HN 1.794 nan 8.290 nan 0.000 0.525 19 V N -1.218 118.698 119.914 0.004 0.000 2.637 19 V HA 0.708 4.829 4.120 0.001 0.000 0.296 19 V C 0.804 176.873 176.094 -0.042 0.000 1.046 19 V CA 1.112 63.418 62.300 0.011 0.000 1.066 19 V CB 1.467 33.285 31.823 -0.008 0.000 0.968 19 V HN 0.354 nan 8.190 nan 0.000 0.483 20 E N 2.797 122.975 120.200 -0.037 0.000 2.572 20 E HA 0.285 4.635 4.350 0.001 0.000 0.220 20 E C -0.858 175.412 176.600 -0.550 0.000 0.945 20 E CA -0.072 56.198 56.400 -0.217 0.000 1.070 20 E CB 0.579 30.193 29.700 -0.143 0.000 1.090 20 E HN 0.989 nan 8.360 nan 0.000 0.506 21 H N -0.890 118.029 119.070 -0.251 0.000 3.038 21 H HA 0.424 4.980 4.556 0.001 0.000 0.362 21 H C -1.407 173.555 175.328 -0.609 0.000 1.167 21 H CA -0.645 55.109 56.048 -0.490 0.000 1.197 21 H CB 1.430 30.766 29.762 -0.710 0.000 1.840 21 H HN -0.148 nan 8.280 nan 0.000 0.540 22 L N 1.849 122.745 121.223 -0.544 0.000 2.333 22 L HA 0.567 4.908 4.340 0.001 0.000 0.263 22 L C -1.226 175.204 176.870 -0.732 0.000 1.014 22 L CA -0.432 54.111 54.840 -0.494 0.000 0.820 22 L CB 1.290 43.156 42.059 -0.321 0.000 1.352 22 L HN 0.500 nan 8.230 nan 0.000 0.421 23 F N 0.252 120.104 119.950 -0.164 0.000 2.507 23 F HA 0.798 5.326 4.527 0.001 0.000 0.328 23 F C 0.592 176.355 175.800 -0.063 0.000 1.136 23 F CA -0.484 57.453 58.000 -0.105 0.000 0.930 23 F CB 1.994 40.928 39.000 -0.110 0.000 1.166 23 F HN 0.471 nan 8.300 nan 0.000 0.436 24 G N 2.426 111.305 108.800 0.131 0.000 2.706 24 G HA2 0.660 4.621 3.960 0.001 0.000 0.307 24 G HA3 0.660 4.621 3.960 0.001 0.000 0.307 24 G C -2.632 172.392 174.900 0.207 0.000 1.307 24 G CA -0.700 44.490 45.100 0.150 0.000 0.790 24 G HN 0.440 nan 8.290 nan 0.000 0.503 25 L N 0.526 121.891 121.223 0.237 0.000 2.493 25 L HA 0.556 4.897 4.340 0.001 0.000 0.265 25 L C -0.677 176.322 176.870 0.215 0.000 0.954 25 L CA -0.792 54.168 54.840 0.201 0.000 0.844 25 L CB 1.306 43.422 42.059 0.094 0.000 1.302 25 L HN 0.874 nan 8.230 nan 0.000 0.405 26 H N 2.733 121.808 119.070 0.009 0.000 2.790 26 H HA 0.574 5.131 4.556 0.001 0.000 0.358 26 H C -0.049 175.158 175.328 -0.201 0.000 1.103 26 H CA 1.296 57.137 56.048 -0.346 0.000 1.426 26 H CB 1.086 30.422 29.762 -0.710 0.000 1.424 26 H HN 0.832 nan 8.280 nan 0.000 0.599 27 G N 1.528 109.790 108.800 -0.896 0.000 2.718 27 G HA2 0.459 4.419 3.960 0.001 0.000 0.295 27 G HA3 0.459 4.419 3.960 0.001 0.000 0.295 27 G C 0.298 174.806 174.900 -0.654 0.000 1.421 27 G CA -0.274 44.517 45.100 -0.515 0.000 0.902 27 G HN 0.870 nan 8.290 nan 0.000 0.501 28 A N 0.347 122.989 122.820 -0.298 0.000 1.958 28 A HA -0.151 4.170 4.320 0.001 0.000 0.221 28 A C 1.801 179.105 177.584 -0.467 0.000 1.178 28 A CA 2.113 53.999 52.037 -0.253 0.000 0.642 28 A CB -0.960 17.908 19.000 -0.219 0.000 0.816 28 A HN 0.813 nan 8.150 nan 0.000 0.453 29 H N -0.575 117.996 119.070 -0.832 0.000 2.456 29 H HA -0.062 4.494 4.556 0.001 0.000 0.296 29 H C 1.413 176.504 175.328 -0.394 0.000 1.079 29 H CA 1.502 56.888 56.048 -1.105 0.000 1.322 29 H CB -0.120 29.146 29.762 -0.826 0.000 1.388 29 H HN 0.755 nan 8.280 nan 0.000 0.538 30 I N -1.931 118.561 120.570 -0.131 0.000 3.707 30 I HA 0.189 4.359 4.170 0.001 0.000 0.330 30 I C 0.753 176.945 176.117 0.124 0.000 1.572 30 I CA -0.098 61.220 61.300 0.029 0.000 1.104 30 I CB 0.544 38.577 38.000 0.056 0.000 1.240 30 I HN -0.199 nan 8.210 nan 0.000 0.475 31 D N 1.736 122.175 120.400 0.064 0.000 2.269 31 D HA -0.169 4.472 4.640 0.001 0.000 0.208 31 D C 2.239 178.699 176.300 0.266 0.000 0.963 31 D CA 1.932 56.044 54.000 0.186 0.000 0.864 31 D CB 0.363 41.270 40.800 0.179 0.000 0.936 31 D HN 0.517 nan 8.370 nan 0.000 0.505 32 T N -1.644 113.037 114.554 0.212 0.000 2.915 32 T HA -0.108 4.242 4.350 0.001 0.000 0.269 32 T C 2.119 176.917 174.700 0.162 0.000 1.071 32 T CA 0.747 62.952 62.100 0.175 0.000 1.132 32 T CB -0.457 68.500 68.868 0.148 0.000 0.878 32 T HN 0.201 nan 8.240 nan 0.000 0.479 33 I N -0.336 120.334 120.570 0.167 0.000 2.286 33 I HA 0.013 4.184 4.170 0.001 0.000 0.245 33 I C 2.223 178.369 176.117 0.049 0.000 1.104 33 I CA 1.107 62.456 61.300 0.081 0.000 1.397 33 I CB -0.458 37.558 38.000 0.026 0.000 1.072 33 I HN 0.094 nan 8.210 nan 0.000 0.417 34 F N 1.275 121.263 119.950 0.063 0.000 2.069 34 F HA -0.278 4.249 4.527 0.001 0.000 0.298 34 F C 2.812 178.655 175.800 0.071 0.000 1.113 34 F CA 1.524 59.574 58.000 0.083 0.000 1.214 34 F CB -0.627 38.473 39.000 0.166 0.000 0.978 34 F HN 0.081 nan 8.300 nan 0.000 0.474 35 Q N 0.161 120.126 119.800 0.276 0.000 2.061 35 Q HA -0.198 4.142 4.340 0.001 0.000 0.204 35 Q C 2.571 178.640 176.000 0.115 0.000 0.984 35 Q CA 1.665 57.567 55.803 0.164 0.000 0.846 35 Q CB -1.283 27.537 28.738 0.137 0.000 0.902 35 Q HN 0.453 nan 8.270 nan 0.000 0.421 36 A N 0.470 123.361 122.820 0.119 0.000 1.883 36 A HA -0.203 4.118 4.320 0.001 0.000 0.217 36 A C 2.592 180.265 177.584 0.148 0.000 1.186 36 A CA 1.663 53.785 52.037 0.142 0.000 0.624 36 A CB -1.061 18.017 19.000 0.131 0.000 0.822 36 A HN 0.490 nan 8.150 nan 0.000 0.444 37 C N -0.871 118.462 119.300 0.055 0.000 2.422 37 C HA -0.044 4.417 4.460 0.001 0.000 0.279 37 C C 2.503 177.505 174.990 0.020 0.000 1.305 37 C CA 0.857 59.877 59.018 0.003 0.000 1.757 37 C CB -1.358 26.309 27.740 -0.122 0.000 1.962 37 C HN 0.657 nan 8.230 nan 0.000 0.499 38 L N 1.019 122.265 121.223 0.038 0.000 2.017 38 L HA -0.161 4.180 4.340 0.001 0.000 0.208 38 L C 2.135 179.004 176.870 -0.002 0.000 1.073 38 L CA 2.155 57.013 54.840 0.031 0.000 0.745 38 L CB -0.919 41.176 42.059 0.060 0.000 0.894 38 L HN 0.300 nan 8.230 nan 0.000 0.432 39 D N -1.012 119.375 120.400 -0.021 0.000 2.144 39 D HA -0.182 4.459 4.640 0.001 0.000 0.199 39 D C 1.702 177.867 176.300 -0.225 0.000 0.984 39 D CA 1.334 55.255 54.000 -0.131 0.000 0.834 39 D CB -0.083 40.607 40.800 -0.184 0.000 0.955 39 D HN 0.496 nan 8.370 nan 0.000 0.465 40 H N -0.317 118.740 119.070 -0.021 0.000 2.551 40 H HA 0.103 4.660 4.556 0.001 0.000 0.271 40 H C -0.203 175.098 175.328 -0.045 0.000 0.984 40 H CA 0.079 56.108 56.048 -0.032 0.000 1.164 40 H CB 0.501 30.241 29.762 -0.036 0.000 1.437 40 H HN -0.138 nan 8.280 nan 0.000 0.550 41 D N 0.096 120.512 120.400 0.027 0.000 2.870 41 D HA -0.149 4.492 4.640 0.001 0.000 0.228 41 D C -0.776 175.498 176.300 -0.042 0.000 1.147 41 D CA 0.437 54.431 54.000 -0.010 0.000 0.757 41 D CB -1.370 39.423 40.800 -0.012 0.000 1.091 41 D HN 0.136 nan 8.370 nan 0.000 0.429 42 V N 1.956 121.841 119.914 -0.048 0.000 2.334 42 V HA 0.262 4.383 4.120 0.001 0.000 0.267 42 V C -1.569 174.432 176.094 -0.155 0.000 1.040 42 V CA -1.133 61.092 62.300 -0.125 0.000 0.866 42 V CB 1.315 33.068 31.823 -0.118 0.000 1.019 42 V HN -0.025 nan 8.190 nan 0.000 0.468 43 P HA 0.248 nan 4.420 nan 0.000 0.271 43 P C -0.591 176.571 177.300 -0.230 0.000 1.216 43 P CA 0.105 63.112 63.100 -0.156 0.000 0.771 43 P CB 0.972 32.609 31.700 -0.105 0.000 0.864 44 I N 4.217 124.660 120.570 -0.212 0.000 2.330 44 I HA 0.249 4.419 4.170 0.001 0.000 0.289 44 I C 0.569 176.581 176.117 -0.175 0.000 1.001 44 I CA -0.956 60.172 61.300 -0.286 0.000 1.193 44 I CB 1.220 38.971 38.000 -0.415 0.000 1.345 44 I HN 0.095 nan 8.210 nan 0.000 0.461 45 I N 6.437 126.847 120.570 -0.267 0.000 2.329 45 I HA 0.064 4.234 4.170 0.001 0.000 0.295 45 I C 0.217 176.367 176.117 0.056 0.000 1.109 45 I CA -0.139 61.105 61.300 -0.092 0.000 1.297 45 I CB -0.218 37.724 38.000 -0.096 0.000 1.433 45 I HN 0.591 nan 8.210 nan 0.000 0.509 46 D N 5.124 125.581 120.400 0.095 0.000 2.249 46 D HA 0.268 4.909 4.640 0.001 0.000 0.246 46 D C 0.344 176.708 176.300 0.106 0.000 1.114 46 D CA -0.323 53.764 54.000 0.144 0.000 0.854 46 D CB 1.898 42.818 40.800 0.200 0.000 1.132 46 D HN 0.467 nan 8.370 nan 0.000 0.461 47 T N -0.034 114.582 114.554 0.104 0.000 2.893 47 T HA 0.378 4.728 4.350 0.001 0.000 0.281 47 T C 1.012 175.729 174.700 0.028 0.000 1.027 47 T CA -0.875 61.258 62.100 0.054 0.000 0.953 47 T CB 1.348 70.253 68.868 0.062 0.000 1.434 47 T HN 0.226 nan 8.240 nan 0.000 0.597 48 R N -0.150 120.348 120.500 -0.003 0.000 2.397 48 R HA 0.294 4.634 4.340 0.001 0.000 0.241 48 R C 0.025 176.361 176.300 0.060 0.000 0.914 48 R CA 0.013 56.111 56.100 -0.003 0.000 1.071 48 R CB -0.450 29.811 30.300 -0.064 0.000 1.116 48 R HN 0.732 nan 8.270 nan 0.000 0.524 49 H N -0.340 118.713 119.070 -0.028 0.000 3.085 49 H HA 0.161 4.718 4.556 0.001 0.000 0.356 49 H C -0.071 175.252 175.328 -0.008 0.000 1.178 49 H CA -0.274 55.765 56.048 -0.014 0.000 1.214 49 H CB 1.809 31.562 29.762 -0.014 0.000 1.881 49 H HN -0.236 nan 8.280 nan 0.000 0.538 50 E N 2.761 123.070 120.200 0.181 0.000 2.153 50 E HA -0.075 4.276 4.350 0.001 0.000 0.194 50 E C 1.945 178.633 176.600 0.147 0.000 0.988 50 E CA 1.610 58.098 56.400 0.146 0.000 0.811 50 E CB 0.121 29.855 29.700 0.057 0.000 0.746 50 E HN 0.622 nan 8.360 nan 0.000 0.466 51 A N 1.140 124.123 122.820 0.272 0.000 1.883 51 A HA -0.174 4.146 4.320 0.001 0.000 0.217 51 A C 2.411 179.906 177.584 -0.148 0.000 1.186 51 A CA 2.046 54.023 52.037 -0.101 0.000 0.624 51 A CB -1.040 17.821 19.000 -0.232 0.000 0.822 51 A HN 0.310 nan 8.150 nan 0.000 0.444 52 A N -0.197 122.619 122.820 -0.008 0.000 1.908 52 A HA 0.081 4.402 4.320 0.001 0.000 0.218 52 A C 2.522 180.113 177.584 0.011 0.000 1.181 52 A CA 2.403 54.456 52.037 0.027 0.000 0.627 52 A CB -1.096 17.890 19.000 -0.023 0.000 0.818 52 A HN 1.161 nan 8.150 nan 0.000 0.445 53 A N -0.594 122.250 122.820 0.041 0.000 1.883 53 A HA 0.085 4.405 4.320 0.001 0.000 0.217 53 A C 2.432 180.017 177.584 0.000 0.000 1.186 53 A CA 2.058 54.136 52.037 0.069 0.000 0.624 53 A CB -1.400 17.674 19.000 0.123 0.000 0.822 53 A HN 0.767 nan 8.150 nan 0.000 0.444 54 G N -1.609 107.180 108.800 -0.020 0.000 2.408 54 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 54 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 54 G C 1.450 176.299 174.900 -0.086 0.000 1.150 54 G CA 1.019 46.124 45.100 0.010 0.000 0.776 54 G HN 0.660 nan 8.290 nan 0.000 0.542 55 H N 0.724 119.787 119.070 -0.011 0.000 2.462 55 H HA 0.132 4.688 4.556 0.001 0.000 0.292 55 H C 2.837 178.054 175.328 -0.184 0.000 1.049 55 H CA 0.887 56.892 56.048 -0.071 0.000 1.334 55 H CB -0.380 29.344 29.762 -0.065 0.000 1.404 55 H HN 0.392 nan 8.280 nan 0.000 0.544 56 A N 1.263 123.970 122.820 -0.187 0.000 1.898 56 A HA -0.057 4.263 4.320 0.001 0.000 0.216 56 A C 2.712 179.786 177.584 -0.850 0.000 1.181 56 A CA 1.595 53.293 52.037 -0.566 0.000 0.620 56 A CB -0.779 17.768 19.000 -0.754 0.000 0.819 56 A HN 0.409 nan 8.150 nan 0.000 0.442 57 A N -0.061 122.383 122.820 -0.627 0.000 1.908 57 A HA -0.209 4.111 4.320 0.001 0.000 0.218 57 A C 1.917 179.398 177.584 -0.172 0.000 1.181 57 A CA 1.772 53.592 52.037 -0.362 0.000 0.627 57 A CB -0.573 18.278 19.000 -0.248 0.000 0.818 57 A HN 0.657 nan 8.150 nan 0.000 0.445 58 E N -0.762 119.361 120.200 -0.129 0.000 2.017 58 E HA -0.130 4.221 4.350 0.001 0.000 0.193 58 E C 2.235 178.801 176.600 -0.058 0.000 0.997 58 E CA 0.843 57.220 56.400 -0.039 0.000 0.804 58 E CB -0.510 29.213 29.700 0.039 0.000 0.757 58 E HN 0.590 nan 8.360 nan 0.000 0.448 59 G N 0.641 109.380 108.800 -0.102 0.000 2.513 59 G HA2 -0.338 3.622 3.960 0.001 0.000 0.219 59 G HA3 -0.338 3.622 3.960 0.001 0.000 0.219 59 G C 1.435 176.290 174.900 -0.074 0.000 1.160 59 G CA 1.217 46.251 45.100 -0.110 0.000 0.767 59 G HN 0.307 nan 8.290 nan 0.000 0.571 60 Y N 1.850 122.016 120.300 -0.223 0.000 2.181 60 Y HA 0.011 4.561 4.550 0.001 0.000 0.288 60 Y C 2.913 178.783 175.900 -0.050 0.000 1.146 60 Y CA 1.622 59.654 58.100 -0.113 0.000 1.164 60 Y CB -0.181 38.255 38.460 -0.039 0.000 0.982 60 Y HN 0.262 nan 8.280 nan 0.000 0.515 61 A N 0.354 123.226 122.820 0.085 0.000 1.872 61 A HA -0.107 4.213 4.320 0.001 0.000 0.214 61 A C 2.240 179.794 177.584 -0.050 0.000 1.187 61 A CA 1.493 53.546 52.037 0.027 0.000 0.614 61 A CB -0.523 18.512 19.000 0.057 0.000 0.826 61 A HN 0.491 nan 8.150 nan 0.000 0.442 62 R N -0.543 119.925 120.500 -0.053 0.000 2.092 62 R HA -0.019 4.322 4.340 0.001 0.000 0.231 62 R C 2.247 178.498 176.300 -0.081 0.000 1.119 62 R CA 1.240 57.301 56.100 -0.065 0.000 0.970 62 R CB -0.308 29.947 30.300 -0.076 0.000 0.864 62 R HN 0.498 nan 8.270 nan 0.000 0.440 63 A N -0.159 122.598 122.820 -0.105 0.000 2.081 63 A HA 0.109 4.430 4.320 0.001 0.000 0.214 63 A C 1.977 179.479 177.584 -0.138 0.000 1.158 63 A CA 1.046 53.019 52.037 -0.107 0.000 0.724 63 A CB 0.015 18.953 19.000 -0.104 0.000 0.826 63 A HN 0.415 nan 8.150 nan 0.000 0.463 64 G N -2.100 106.575 108.800 -0.208 0.000 3.020 64 G HA2 0.395 4.356 3.960 0.001 0.000 0.217 64 G HA3 0.395 4.356 3.960 0.001 0.000 0.217 64 G C 0.790 175.598 174.900 -0.153 0.000 1.144 64 G CA 0.553 45.512 45.100 -0.235 0.000 0.760 64 G HN 1.463 nan 8.290 nan 0.000 0.548 65 A N -0.353 122.401 122.820 -0.110 0.000 2.687 65 A HA -0.160 4.160 4.320 0.001 0.000 0.299 65 A C 0.522 178.075 177.584 -0.052 0.000 1.497 65 A CA 1.443 53.441 52.037 -0.065 0.000 0.751 65 A CB -1.908 17.062 19.000 -0.051 0.000 1.048 65 A HN 0.433 nan 8.150 nan 0.000 0.464 66 K N -1.479 118.891 120.400 -0.049 0.000 2.378 66 K HA 0.712 5.033 4.320 0.001 0.000 0.244 66 K C -0.231 176.408 176.600 0.066 0.000 1.039 66 K CA -1.142 55.147 56.287 0.003 0.000 0.863 66 K CB 1.357 33.844 32.500 -0.020 0.000 1.326 66 K HN 0.456 nan 8.250 nan 0.000 0.460 67 L N 1.021 122.307 121.223 0.105 0.000 2.416 67 L HA 0.275 4.616 4.340 0.001 0.000 0.272 67 L C -0.024 176.974 176.870 0.214 0.000 1.161 67 L CA 0.712 55.623 54.840 0.119 0.000 0.845 67 L CB 0.639 42.753 42.059 0.092 0.000 1.119 67 L HN 0.679 nan 8.230 nan 0.000 0.464 68 G N 4.351 113.246 108.800 0.157 0.000 2.400 68 G HA2 0.604 4.564 3.960 0.001 0.000 0.333 68 G HA3 0.604 4.564 3.960 0.001 0.000 0.333 68 G C -1.536 173.365 174.900 0.002 0.000 1.143 68 G CA -0.511 44.686 45.100 0.162 0.000 0.914 68 G HN 0.573 nan 8.290 nan 0.000 0.480 69 V N 0.865 120.773 119.914 -0.010 0.000 2.483 69 V HA 0.722 4.843 4.120 0.001 0.000 0.297 69 V C 0.239 176.295 176.094 -0.064 0.000 1.027 69 V CA -0.787 61.469 62.300 -0.074 0.000 0.855 69 V CB 1.187 32.971 31.823 -0.064 0.000 0.995 69 V HN 1.121 nan 8.190 nan 0.000 0.424 70 A N 5.316 128.034 122.820 -0.171 0.000 2.340 70 A HA 0.928 5.249 4.320 0.001 0.000 0.331 70 A C -1.007 176.580 177.584 0.004 0.000 1.140 70 A CA -0.622 51.360 52.037 -0.091 0.000 0.801 70 A CB 1.484 20.338 19.000 -0.243 0.000 1.234 70 A HN 0.831 nan 8.150 nan 0.000 0.469 71 L N 3.608 124.861 121.223 0.049 0.000 2.446 71 L HA 0.644 4.985 4.340 0.001 0.000 0.268 71 L C -1.173 175.760 176.870 0.105 0.000 0.975 71 L CA -0.684 54.188 54.840 0.053 0.000 0.848 71 L CB 1.524 43.563 42.059 -0.034 0.000 1.225 71 L HN 0.764 nan 8.230 nan 0.000 0.410 72 V N 0.649 120.632 119.914 0.115 0.000 2.962 72 V HA 0.634 4.755 4.120 0.001 0.000 0.313 72 V C -0.167 175.955 176.094 0.048 0.000 1.099 72 V CA -0.496 61.863 62.300 0.097 0.000 0.971 72 V CB 1.845 33.735 31.823 0.112 0.000 1.028 72 V HN 0.687 nan 8.190 nan 0.000 0.430 73 T N 1.735 116.281 114.554 -0.014 0.000 2.770 73 T HA 0.691 5.042 4.350 0.001 0.000 0.281 73 T C 0.579 175.187 174.700 -0.154 0.000 0.981 73 T CA 0.371 62.404 62.100 -0.112 0.000 0.955 73 T CB 1.040 69.800 68.868 -0.181 0.000 1.060 73 T HN 1.760 nan 8.240 nan 0.000 0.531 74 A N 0.528 123.132 122.820 -0.360 0.000 2.466 74 A HA 0.544 4.865 4.320 0.001 0.000 0.238 74 A C 1.461 178.896 177.584 -0.248 0.000 1.074 74 A CA 0.471 52.286 52.037 -0.370 0.000 0.774 74 A CB -1.172 17.411 19.000 -0.695 0.000 1.015 74 A HN 1.822 nan 8.150 nan 0.000 0.498 75 G N 1.382 110.111 108.800 -0.118 0.000 2.595 75 G HA2 -0.150 3.810 3.960 0.001 0.000 0.297 75 G HA3 -0.150 3.810 3.960 0.001 0.000 0.297 75 G C 1.536 176.443 174.900 0.013 0.000 1.181 75 G CA 1.126 46.198 45.100 -0.047 0.000 0.963 75 G HN 1.990 nan 8.290 nan 0.000 0.541 76 G N 0.857 109.632 108.800 -0.041 0.000 2.448 76 G HA2 0.232 4.192 3.960 0.001 0.000 0.219 76 G HA3 0.232 4.192 3.960 0.001 0.000 0.219 76 G C 1.889 176.755 174.900 -0.057 0.000 1.127 76 G CA 2.121 47.193 45.100 -0.047 0.000 0.766 76 G HN 1.756 nan 8.290 nan 0.000 0.552 77 G N 0.771 109.538 108.800 -0.054 0.000 2.459 77 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 77 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 77 G C 1.594 176.498 174.900 0.006 0.000 1.183 77 G CA 1.071 46.150 45.100 -0.034 0.000 0.776 77 G HN 0.387 nan 8.290 nan 0.000 0.552 78 F N 2.711 122.609 119.950 -0.086 0.000 2.075 78 F HA -0.150 4.378 4.527 0.001 0.000 0.297 78 F C 3.067 178.819 175.800 -0.080 0.000 1.113 78 F CA 2.643 60.595 58.000 -0.080 0.000 1.218 78 F CB -0.870 38.071 39.000 -0.099 0.000 0.984 78 F HN 0.236 nan 8.300 nan 0.000 0.472 79 T N -1.323 113.066 114.554 -0.274 0.000 2.803 79 T HA -0.204 4.147 4.350 0.001 0.000 0.269 79 T C 1.683 176.199 174.700 -0.307 0.000 1.052 79 T CA 1.539 63.409 62.100 -0.384 0.000 1.136 79 T CB -0.789 68.016 68.868 -0.105 0.000 0.864 79 T HN 0.290 nan 8.240 nan 0.000 0.467 80 N N 1.948 120.543 118.700 -0.175 0.000 2.520 80 N HA 0.171 4.911 4.740 0.001 0.000 0.185 80 N C 1.770 177.225 175.510 -0.092 0.000 1.068 80 N CA 0.986 54.007 53.050 -0.049 0.000 0.911 80 N CB -0.394 38.094 38.487 0.001 0.000 0.961 80 N HN 0.698 nan 8.380 nan 0.000 0.446 81 A N -0.155 122.517 122.820 -0.247 0.000 2.218 81 A HA 0.120 4.441 4.320 0.001 0.000 0.209 81 A C 2.172 179.509 177.584 -0.413 0.000 1.168 81 A CA 0.069 51.953 52.037 -0.254 0.000 0.804 81 A CB -0.048 18.849 19.000 -0.171 0.000 0.834 81 A HN 0.047 nan 8.150 nan 0.000 0.482 82 V N -0.106 119.522 119.914 -0.477 0.000 2.407 82 V HA -0.219 3.901 4.120 0.001 0.000 0.248 82 V C 2.730 178.663 176.094 -0.269 0.000 1.055 82 V CA 2.560 64.588 62.300 -0.452 0.000 1.049 82 V CB -0.973 30.593 31.823 -0.428 0.000 0.662 82 V HN 0.598 nan 8.190 nan 0.000 0.455 83 T N 0.084 114.530 114.554 -0.180 0.000 2.708 83 T HA -0.106 4.245 4.350 0.001 0.000 0.266 83 T C -0.025 174.670 174.700 -0.007 0.000 1.037 83 T CA 1.868 63.931 62.100 -0.063 0.000 1.146 83 T CB -1.214 67.658 68.868 0.008 0.000 0.865 83 T HN 0.423 nan 8.240 nan 0.000 0.435 84 P HA -0.074 nan 4.420 nan 0.000 0.216 84 P C 1.487 178.818 177.300 0.052 0.000 1.157 84 P CA 1.116 64.177 63.100 -0.066 0.000 0.880 84 P CB -0.230 31.375 31.700 -0.158 0.000 0.791 85 I N -0.902 119.483 120.570 -0.308 0.000 2.179 85 I HA -0.273 3.898 4.170 0.001 0.000 0.242 85 I C 2.368 178.473 176.117 -0.020 0.000 1.088 85 I CA 1.672 62.732 61.300 -0.399 0.000 1.357 85 I CB -0.983 36.609 38.000 -0.679 0.000 1.051 85 I HN -0.082 nan 8.210 nan 0.000 0.409 86 A N 0.666 123.475 122.820 -0.020 0.000 1.902 86 A HA -0.264 4.056 4.320 0.001 0.000 0.217 86 A C 2.187 179.894 177.584 0.206 0.000 1.181 86 A CA 2.099 54.201 52.037 0.109 0.000 0.623 86 A CB -1.045 17.984 19.000 0.048 0.000 0.818 86 A HN 0.526 nan 8.150 nan 0.000 0.443 87 N N 0.050 118.844 118.700 0.158 0.000 2.025 87 N HA -0.187 4.554 4.740 0.001 0.000 0.194 87 N C 2.024 177.628 175.510 0.156 0.000 1.044 87 N CA 1.505 54.646 53.050 0.152 0.000 0.851 87 N CB -0.229 38.360 38.487 0.170 0.000 1.036 87 N HN 0.394 nan 8.380 nan 0.000 0.422 88 A N 1.730 124.673 122.820 0.205 0.000 1.948 88 A HA -0.213 4.108 4.320 0.001 0.000 0.220 88 A C 2.014 179.730 177.584 0.220 0.000 1.177 88 A CA 1.389 53.552 52.037 0.209 0.000 0.636 88 A CB -1.400 17.791 19.000 0.319 0.000 0.815 88 A HN 0.777 nan 8.150 nan 0.000 0.449 89 W N 0.199 121.544 121.300 0.076 0.000 2.333 89 W HA -0.204 4.456 4.660 0.001 0.000 0.316 89 W C 1.352 177.902 176.519 0.053 0.000 1.215 89 W CA 1.680 59.063 57.345 0.065 0.000 1.278 89 W CB -0.336 29.156 29.460 0.053 0.000 1.154 89 W HN 0.281 nan 8.180 nan 0.000 0.486 90 L N 1.229 122.447 121.223 -0.007 0.000 2.201 90 L HA -0.147 4.194 4.340 0.001 0.000 0.212 90 L C 1.540 178.273 176.870 -0.228 0.000 1.105 90 L CA 1.813 56.571 54.840 -0.137 0.000 0.775 90 L CB -1.587 40.520 42.059 0.079 0.000 0.913 90 L HN -0.106 nan 8.230 nan 0.000 0.440 91 D N -0.596 119.719 120.400 -0.140 0.000 2.340 91 D HA 0.045 4.685 4.640 0.001 0.000 0.220 91 D C 0.597 176.809 176.300 -0.147 0.000 1.039 91 D CA -0.005 53.892 54.000 -0.171 0.000 0.866 91 D CB 0.065 40.811 40.800 -0.089 0.000 0.913 91 D HN 0.023 nan 8.370 nan 0.000 0.523 92 R N 0.023 120.441 120.500 -0.137 0.000 3.264 92 R HA -0.159 4.181 4.340 0.001 0.000 0.251 92 R C -0.314 175.966 176.300 -0.032 0.000 0.971 92 R CA 0.938 56.980 56.100 -0.097 0.000 0.658 92 R CB -2.265 27.956 30.300 -0.131 0.000 1.095 92 R HN 0.172 nan 8.270 nan 0.000 0.443 93 T N -0.521 114.043 114.554 0.017 0.000 2.779 93 T HA 0.565 4.915 4.350 0.001 0.000 0.280 93 T C -2.602 172.144 174.700 0.078 0.000 0.987 93 T CA -2.348 59.773 62.100 0.034 0.000 0.966 93 T CB 1.610 70.490 68.868 0.021 0.000 0.933 93 T HN -0.044 nan 8.240 nan 0.000 0.442 94 P HA 0.350 nan 4.420 nan 0.000 0.274 94 P C -0.965 176.371 177.300 0.059 0.000 1.470 94 P CA -0.323 62.822 63.100 0.076 0.000 1.001 94 P CB 0.411 32.145 31.700 0.056 0.000 1.332 95 V N 5.207 125.158 119.914 0.062 0.000 2.531 95 V HA 0.265 4.386 4.120 0.001 0.000 0.301 95 V C 0.385 176.459 176.094 -0.033 0.000 1.034 95 V CA -0.916 61.336 62.300 -0.081 0.000 0.865 95 V CB 2.669 34.301 31.823 -0.318 0.000 0.995 95 V HN 0.420 nan 8.190 nan 0.000 0.424 96 L N 5.258 126.442 121.223 -0.065 0.000 2.283 96 L HA 0.481 4.822 4.340 0.001 0.000 0.287 96 L C -1.094 175.729 176.870 -0.078 0.000 1.073 96 L CA -0.124 54.727 54.840 0.018 0.000 0.822 96 L CB 0.292 42.372 42.059 0.035 0.000 1.186 96 L HN 0.547 nan 8.230 nan 0.000 0.436 97 F N 5.728 125.722 119.950 0.073 0.000 2.390 97 F HA 0.327 4.854 4.527 0.001 0.000 0.361 97 F C 0.162 175.995 175.800 0.055 0.000 1.124 97 F CA -0.360 57.679 58.000 0.065 0.000 1.149 97 F CB 0.858 39.903 39.000 0.075 0.000 1.160 97 F HN 0.264 nan 8.300 nan 0.000 0.501 98 L N 3.581 124.911 121.223 0.178 0.000 2.272 98 L HA 0.490 4.830 4.340 0.001 0.000 0.289 98 L C 0.222 177.165 176.870 0.122 0.000 1.032 98 L CA -0.303 54.605 54.840 0.114 0.000 0.810 98 L CB 1.628 43.722 42.059 0.058 0.000 1.205 98 L HN 0.521 nan 8.230 nan 0.000 0.422 99 T N 1.962 116.570 114.554 0.090 0.000 2.893 99 T HA 0.643 4.993 4.350 0.001 0.000 0.291 99 T C 0.137 174.844 174.700 0.012 0.000 1.028 99 T CA -0.377 61.766 62.100 0.073 0.000 0.995 99 T CB 1.610 70.543 68.868 0.110 0.000 1.051 99 T HN 0.680 nan 8.240 nan 0.000 0.470 100 G N 1.780 110.575 108.800 -0.008 0.000 2.599 100 G HA2 0.567 4.527 3.960 0.001 0.000 0.264 100 G HA3 0.567 4.527 3.960 0.001 0.000 0.264 100 G C -0.319 174.528 174.900 -0.090 0.000 1.200 100 G CA 0.012 45.092 45.100 -0.033 0.000 0.896 100 G HN 1.183 nan 8.290 nan 0.000 0.536 101 S N -1.395 114.276 115.700 -0.049 0.000 2.643 101 S HA 0.709 5.180 4.470 0.001 0.000 0.270 101 S C 0.110 174.753 174.600 0.072 0.000 1.166 101 S CA -0.189 57.968 58.200 -0.072 0.000 0.815 101 S CB 0.962 64.103 63.200 -0.098 0.000 1.139 101 S HN 1.462 nan 8.310 nan 0.000 0.472 102 G N 0.361 109.200 108.800 0.065 0.000 2.559 102 G HA2 0.495 4.455 3.960 0.001 0.000 0.235 102 G HA3 0.495 4.455 3.960 0.001 0.000 0.235 102 G C 0.493 175.518 174.900 0.207 0.000 1.266 102 G CA -0.178 45.041 45.100 0.198 0.000 0.847 102 G HN 1.437 nan 8.290 nan 0.000 0.583 103 A N 1.315 124.299 122.820 0.273 0.000 2.540 103 A HA 0.254 4.574 4.320 0.001 0.000 0.239 103 A C 1.583 179.210 177.584 0.072 0.000 1.061 103 A CA -0.234 51.897 52.037 0.157 0.000 0.758 103 A CB 0.155 19.204 19.000 0.082 0.000 0.991 103 A HN 0.718 nan 8.150 nan 0.000 0.502 104 L N 2.340 123.585 121.223 0.036 0.000 2.046 104 L HA -0.104 4.237 4.340 0.001 0.000 0.208 104 L C 1.875 178.744 176.870 -0.002 0.000 1.077 104 L CA 1.263 56.108 54.840 0.008 0.000 0.747 104 L CB -0.617 41.439 42.059 -0.005 0.000 0.896 104 L HN 0.908 nan 8.230 nan 0.000 0.432 105 R N 1.370 121.862 120.500 -0.014 0.000 2.811 105 R HA -0.073 4.268 4.340 0.001 0.000 0.265 105 R C 0.341 176.634 176.300 -0.011 0.000 1.026 105 R CA 0.367 56.454 56.100 -0.022 0.000 1.142 105 R CB -0.387 29.886 30.300 -0.044 0.000 1.027 105 R HN 0.385 nan 8.270 nan 0.000 0.465 106 D N -1.761 118.633 120.400 -0.010 0.000 2.860 106 D HA -0.294 4.346 4.640 0.001 0.000 0.229 106 D C -0.661 175.651 176.300 0.019 0.000 1.169 106 D CA 1.669 55.670 54.000 0.003 0.000 0.737 106 D CB -1.505 39.296 40.800 0.001 0.000 1.080 106 D HN 0.850 nan 8.370 nan 0.000 0.424 107 D N -0.145 120.262 120.400 0.012 0.000 2.488 107 D HA 0.247 4.888 4.640 0.001 0.000 0.238 107 D C 0.588 176.892 176.300 0.006 0.000 1.138 107 D CA 0.897 54.902 54.000 0.009 0.000 0.873 107 D CB 0.490 41.289 40.800 -0.002 0.000 1.183 107 D HN 0.327 nan 8.370 nan 0.000 0.458 108 E N 1.366 121.570 120.200 0.006 0.000 2.553 108 E HA -0.193 4.158 4.350 0.001 0.000 0.264 108 E C -0.179 176.425 176.600 0.007 0.000 1.068 108 E CA 1.282 57.684 56.400 0.002 0.000 0.774 108 E CB -1.729 27.969 29.700 -0.003 0.000 1.349 108 E HN 0.516 nan 8.360 nan 0.000 0.404 109 T N -2.685 111.878 114.554 0.014 0.000 3.248 109 T HA 0.247 4.597 4.350 0.001 0.000 0.271 109 T C 0.467 175.179 174.700 0.020 0.000 1.005 109 T CA 0.042 62.151 62.100 0.016 0.000 0.902 109 T CB 0.045 68.924 68.868 0.019 0.000 1.102 109 T HN 0.159 nan 8.240 nan 0.000 0.548 110 N N 1.320 120.030 118.700 0.017 0.000 2.716 110 N HA -0.137 4.604 4.740 0.001 0.000 0.250 110 N C 0.001 175.528 175.510 0.028 0.000 1.033 110 N CA 1.285 54.346 53.050 0.018 0.000 0.727 110 N CB -1.530 36.964 38.487 0.013 0.000 0.950 110 N HN 0.672 nan 8.380 nan 0.000 0.541 111 T N -0.499 114.080 114.554 0.041 0.000 2.884 111 T HA 0.523 4.873 4.350 0.001 0.000 0.277 111 T C 0.254 174.996 174.700 0.070 0.000 0.976 111 T CA -0.801 61.336 62.100 0.062 0.000 0.956 111 T CB 0.895 69.816 68.868 0.088 0.000 1.113 111 T HN 0.200 nan 8.240 nan 0.000 0.554 112 L N 2.676 123.955 121.223 0.094 0.000 2.534 112 L HA 0.197 4.538 4.340 0.001 0.000 0.271 112 L C 0.865 177.782 176.870 0.079 0.000 1.178 112 L CA 1.004 55.894 54.840 0.084 0.000 0.907 112 L CB -0.392 41.729 42.059 0.103 0.000 1.164 112 L HN 0.933 nan 8.230 nan 0.000 0.482 113 Q N 1.543 121.345 119.800 0.004 0.000 2.416 113 Q HA -0.262 4.079 4.340 0.001 0.000 0.235 113 Q C 0.081 176.033 176.000 -0.079 0.000 0.773 113 Q CA 1.000 56.754 55.803 -0.082 0.000 1.286 113 Q CB -1.941 26.656 28.738 -0.234 0.000 1.556 113 Q HN 0.866 nan 8.270 nan 0.000 0.650 114 A N -0.700 122.115 122.820 -0.009 0.000 2.284 114 A HA 0.793 5.113 4.320 0.001 0.000 0.317 114 A C 1.307 178.883 177.584 -0.014 0.000 1.120 114 A CA 0.399 52.434 52.037 -0.002 0.000 0.900 114 A CB 0.882 19.913 19.000 0.052 0.000 1.319 114 A HN 0.878 nan 8.150 nan 0.000 0.494 115 G N -1.362 107.426 108.800 -0.021 0.000 2.159 115 G HA2 -0.166 3.795 3.960 0.001 0.000 0.256 115 G HA3 -0.166 3.795 3.960 0.001 0.000 0.256 115 G C 0.187 175.068 174.900 -0.032 0.000 0.977 115 G CA 0.479 45.565 45.100 -0.022 0.000 0.652 115 G HN 1.848 nan 8.290 nan 0.000 0.531 116 I N -2.117 118.426 120.570 -0.045 0.000 2.377 116 I HA 0.634 4.804 4.170 0.001 0.000 0.293 116 I C -0.680 175.379 176.117 -0.097 0.000 0.987 116 I CA -1.052 60.220 61.300 -0.048 0.000 1.185 116 I CB 1.788 39.780 38.000 -0.013 0.000 1.341 116 I HN -0.108 nan 8.210 nan 0.000 0.455 117 D N 5.738 126.083 120.400 -0.091 0.000 2.416 117 D HA 0.070 4.710 4.640 0.001 0.000 0.240 117 D C 0.811 176.993 176.300 -0.197 0.000 1.250 117 D CA 0.280 54.200 54.000 -0.132 0.000 0.967 117 D CB 0.935 41.680 40.800 -0.092 0.000 1.059 117 D HN 0.670 nan 8.370 nan 0.000 0.512 118 Q N 1.560 121.141 119.800 -0.366 0.000 2.137 118 Q HA -0.061 4.279 4.340 0.001 0.000 0.198 118 Q C 2.042 177.668 176.000 -0.623 0.000 0.960 118 Q CA 0.734 56.063 55.803 -0.790 0.000 0.847 118 Q CB 0.330 28.287 28.738 -1.303 0.000 0.915 118 Q HN 0.350 nan 8.270 nan 0.000 0.448 119 V N 1.585 121.248 119.914 -0.419 0.000 2.343 119 V HA -0.205 3.916 4.120 0.001 0.000 0.247 119 V C 1.401 177.382 176.094 -0.189 0.000 1.051 119 V CA 1.214 63.337 62.300 -0.295 0.000 1.036 119 V CB -0.936 30.720 31.823 -0.279 0.000 0.654 119 V HN 0.355 nan 8.190 nan 0.000 0.451 123 A N 1.306 124.046 122.820 -0.134 0.000 1.927 123 A HA -0.057 4.264 4.320 0.001 0.000 0.220 123 A C 0.025 177.467 177.584 -0.238 0.000 1.185 123 A CA 2.498 54.444 52.037 -0.151 0.000 0.639 123 A CB -1.726 17.217 19.000 -0.095 0.000 0.820 123 A HN 0.450 nan 8.150 nan 0.000 0.451 124 P HA 0.007 nan 4.420 nan 0.000 0.234 124 P C 0.628 177.529 177.300 -0.665 0.000 1.167 124 P CA 0.934 63.851 63.100 -0.304 0.000 0.763 124 P CB -0.111 31.481 31.700 -0.179 0.000 0.835 125 I N -5.409 114.681 120.570 -0.799 0.000 3.578 125 I HA 0.331 4.502 4.170 0.001 0.000 0.321 125 I C -0.585 175.007 176.117 -0.876 0.000 1.510 125 I CA -0.573 59.958 61.300 -1.282 0.000 1.002 125 I CB 0.349 38.000 38.000 -0.581 0.000 1.427 125 I HN -0.265 nan 8.210 nan 0.000 0.575 126 T N -3.251 110.875 114.554 -0.712 0.000 2.906 126 T HA 0.483 4.834 4.350 0.001 0.000 0.295 126 T C 0.412 175.113 174.700 0.001 0.000 1.075 126 T CA -0.785 61.219 62.100 -0.161 0.000 1.005 126 T CB 2.750 71.593 68.868 -0.042 0.000 1.136 126 T HN 0.111 nan 8.240 nan 0.000 0.498 127 K N -0.490 120.108 120.400 0.331 0.000 2.103 127 K HA 0.082 4.402 4.320 0.001 0.000 0.204 127 K C -0.127 176.689 176.600 0.359 0.000 1.052 127 K CA 0.899 57.418 56.287 0.387 0.000 0.945 127 K CB 0.125 32.840 32.500 0.358 0.000 0.722 127 K HN 0.625 nan 8.250 nan 0.000 0.443 128 W N -0.522 120.833 121.300 0.092 0.000 3.372 128 W HA 0.497 5.157 4.660 0.001 0.000 0.315 128 W C -2.121 174.437 176.519 0.065 0.000 1.223 128 W CA -1.041 56.343 57.345 0.066 0.000 1.202 128 W CB 1.534 31.033 29.460 0.065 0.000 1.367 128 W HN -0.132 nan 8.180 nan 0.000 0.531 129 A N 4.055 126.632 122.820 -0.404 0.000 2.437 129 A HA 0.685 5.006 4.320 0.001 0.000 0.293 129 A C -2.201 175.003 177.584 -0.633 0.000 1.038 129 A CA -0.381 51.385 52.037 -0.451 0.000 0.708 129 A CB 1.435 20.303 19.000 -0.220 0.000 1.251 129 A HN 0.850 nan 8.150 nan 0.000 0.409 130 H N 0.294 118.887 119.070 -0.796 0.000 3.079 130 H HA 0.645 5.201 4.556 0.001 0.000 0.356 130 H C -0.865 174.223 175.328 -0.400 0.000 1.221 130 H CA -0.390 55.258 56.048 -0.667 0.000 1.185 130 H CB 1.398 30.519 29.762 -1.068 0.000 1.882 130 H HN 0.766 nan 8.280 nan 0.000 0.543 131 R N 3.780 123.856 120.500 -0.706 0.000 2.338 131 R HA 0.551 4.892 4.340 0.001 0.000 0.317 131 R C -0.819 175.328 176.300 -0.254 0.000 0.968 131 R CA -0.688 55.182 56.100 -0.384 0.000 0.849 131 R CB 0.926 31.026 30.300 -0.333 0.000 1.128 131 R HN 0.398 nan 8.270 nan 0.000 0.448 135 T N 1.034 115.521 114.554 -0.112 0.000 2.699 135 T HA -0.167 4.184 4.350 0.001 0.000 0.268 135 T C 1.484 176.173 174.700 -0.018 0.000 1.036 135 T CA 2.502 64.579 62.100 -0.038 0.000 1.147 135 T CB -0.233 68.621 68.868 -0.023 0.000 0.862 135 T HN 0.785 nan 8.240 nan 0.000 0.446 136 E N 0.589 120.757 120.200 -0.053 0.000 2.219 136 E HA -0.136 4.215 4.350 0.001 0.000 0.198 136 E C 1.746 178.438 176.600 0.153 0.000 0.998 136 E CA 1.080 57.499 56.400 0.031 0.000 0.818 136 E CB -0.403 29.318 29.700 0.036 0.000 0.741 136 E HN 0.732 nan 8.360 nan 0.000 0.477 137 H N -0.739 118.360 119.070 0.049 0.000 2.548 137 H HA 0.142 4.699 4.556 0.001 0.000 0.268 137 H C 1.726 177.096 175.328 0.069 0.000 0.975 137 H CA -0.106 55.979 56.048 0.062 0.000 1.195 137 H CB 0.157 29.969 29.762 0.082 0.000 1.397 137 H HN 0.112 nan 8.280 nan 0.000 0.572 138 I N 1.356 122.028 120.570 0.170 0.000 2.091 138 I HA -0.228 3.943 4.170 0.001 0.000 0.239 138 I C -0.609 175.570 176.117 0.105 0.000 1.061 138 I CA 1.360 62.734 61.300 0.122 0.000 1.317 138 I CB -1.078 36.971 38.000 0.082 0.000 1.031 138 I HN 0.215 nan 8.210 nan 0.000 0.401 139 P HA -0.201 nan 4.420 nan 0.000 0.214 139 P C 1.308 178.646 177.300 0.064 0.000 1.163 139 P CA 1.673 64.810 63.100 0.061 0.000 0.883 139 P CB -0.225 31.503 31.700 0.047 0.000 0.788 140 R N -0.873 119.668 120.500 0.068 0.000 2.115 140 R HA -0.046 4.295 4.340 0.001 0.000 0.230 140 R C 1.697 178.037 176.300 0.066 0.000 1.111 140 R CA 1.265 57.392 56.100 0.045 0.000 0.976 140 R CB -1.406 28.904 30.300 0.017 0.000 0.870 140 R HN 0.112 nan 8.270 nan 0.000 0.445 141 L N 1.383 122.678 121.223 0.120 0.000 2.131 141 L HA 0.084 4.424 4.340 0.001 0.000 0.206 141 L C 1.241 178.242 176.870 0.219 0.000 1.087 141 L CA 0.697 55.659 54.840 0.204 0.000 0.767 141 L CB -0.305 41.908 42.059 0.257 0.000 0.917 141 L HN -0.023 nan 8.230 nan 0.000 0.441 145 A N 1.337 124.305 122.820 0.248 0.000 1.908 145 A HA -0.103 4.218 4.320 0.001 0.000 0.218 145 A C 1.764 179.473 177.584 0.208 0.000 1.181 145 A CA 1.551 53.816 52.037 0.380 0.000 0.627 145 A CB -0.571 18.669 19.000 0.400 0.000 0.818 145 A HN 0.459 nan 8.150 nan 0.000 0.445 146 I N -1.140 119.510 120.570 0.133 0.000 2.252 146 I HA -0.235 3.936 4.170 0.001 0.000 0.245 146 I C 2.756 178.913 176.117 0.067 0.000 1.102 146 I CA 1.137 62.492 61.300 0.092 0.000 1.385 146 I CB -0.373 37.666 38.000 0.064 0.000 1.064 146 I HN 0.290 nan 8.210 nan 0.000 0.414 147 R N 0.872 121.396 120.500 0.041 0.000 2.103 147 R HA -0.190 4.151 4.340 0.001 0.000 0.242 147 R C 2.446 178.759 176.300 0.021 0.000 1.142 147 R CA 1.690 57.798 56.100 0.013 0.000 0.960 147 R CB -0.553 29.735 30.300 -0.020 0.000 0.858 147 R HN 0.381 nan 8.270 nan 0.000 0.439 148 A N 1.218 124.058 122.820 0.033 0.000 1.902 148 A HA -0.102 4.218 4.320 0.001 0.000 0.217 148 A C 2.399 180.048 177.584 0.109 0.000 1.181 148 A CA 1.626 53.699 52.037 0.061 0.000 0.623 148 A CB -0.630 18.423 19.000 0.088 0.000 0.818 148 A HN 0.409 nan 8.150 nan 0.000 0.443 149 A N -0.386 122.514 122.820 0.132 0.000 1.883 149 A HA -0.073 4.248 4.320 0.001 0.000 0.217 149 A C 2.113 179.751 177.584 0.089 0.000 1.186 149 A CA 1.644 53.760 52.037 0.132 0.000 0.624 149 A CB -0.543 18.535 19.000 0.130 0.000 0.822 149 A HN 0.473 nan 8.150 nan 0.000 0.444 150 L N 0.205 121.466 121.223 0.064 0.000 2.446 150 L HA 0.030 4.371 4.340 0.001 0.000 0.219 150 L C 1.336 178.223 176.870 0.028 0.000 1.116 150 L CA 0.392 55.257 54.840 0.041 0.000 0.844 150 L CB -0.177 41.900 42.059 0.030 0.000 0.970 150 L HN 0.498 nan 8.230 nan 0.000 0.457 151 S N -0.162 115.555 115.700 0.030 0.000 2.672 151 S HA 0.651 5.121 4.470 0.001 0.000 0.276 151 S C 0.054 174.667 174.600 0.020 0.000 1.207 151 S CA -0.755 57.455 58.200 0.018 0.000 1.002 151 S CB 1.843 65.049 63.200 0.010 0.000 0.998 151 S HN 0.085 nan 8.310 nan 0.000 0.542 152 A N 2.045 124.872 122.820 0.011 0.000 2.354 152 A HA 0.640 4.960 4.320 0.001 0.000 0.269 152 A C -2.231 175.357 177.584 0.007 0.000 1.109 152 A CA -1.690 50.349 52.037 0.004 0.000 0.800 152 A CB -0.587 18.412 19.000 -0.002 0.000 1.045 152 A HN 0.743 nan 8.150 nan 0.000 0.489 153 P HA 0.293 nan 4.420 nan 0.000 0.275 153 P C -0.448 176.852 177.300 -0.001 0.000 1.227 153 P CA -0.359 62.729 63.100 -0.020 0.000 0.781 153 P CB 0.593 32.261 31.700 -0.054 0.000 0.906 154 R N 0.962 121.462 120.500 0.000 0.000 2.756 154 R HA 0.538 4.879 4.340 0.001 0.000 0.264 154 R C 1.068 177.397 176.300 0.047 0.000 1.026 154 R CA 1.225 57.342 56.100 0.028 0.000 1.121 154 R CB -0.275 30.035 30.300 0.018 0.000 0.999 154 R HN 0.848 nan 8.270 nan 0.000 0.449 155 G N 1.285 110.151 108.800 0.111 0.000 2.506 155 G HA2 0.371 4.331 3.960 0.001 0.000 0.292 155 G HA3 0.371 4.331 3.960 0.001 0.000 0.292 155 G C -3.019 172.034 174.900 0.255 0.000 1.425 155 G CA -1.032 44.179 45.100 0.185 0.000 0.788 155 G HN 0.437 nan 8.290 nan 0.000 0.490 156 P HA 0.553 nan 4.420 nan 0.000 0.276 156 P C -0.760 176.752 177.300 0.353 0.000 1.244 156 P CA -0.366 62.973 63.100 0.398 0.000 0.801 156 P CB 2.042 34.031 31.700 0.481 0.000 1.006 157 V N 2.584 122.715 119.914 0.363 0.000 2.841 157 V HA 0.342 4.462 4.120 0.001 0.000 0.310 157 V C -0.258 175.997 176.094 0.269 0.000 1.090 157 V CA -0.761 61.714 62.300 0.292 0.000 0.930 157 V CB 2.126 34.133 31.823 0.308 0.000 1.014 157 V HN 0.420 nan 8.190 nan 0.000 0.425 158 L N 5.028 126.321 121.223 0.116 0.000 2.298 158 L HA 0.612 4.953 4.340 0.001 0.000 0.284 158 L C -1.047 175.778 176.870 -0.075 0.000 1.013 158 L CA -0.028 54.851 54.840 0.065 0.000 0.824 158 L CB 1.104 43.167 42.059 0.005 0.000 1.221 158 L HN 0.599 nan 8.230 nan 0.000 0.418 159 L N 4.987 126.202 121.223 -0.012 0.000 2.280 159 L HA 0.425 4.766 4.340 0.001 0.000 0.287 159 L C -0.959 175.876 176.870 -0.059 0.000 1.023 159 L CA -0.415 54.383 54.840 -0.070 0.000 0.819 159 L CB 1.454 43.524 42.059 0.018 0.000 1.212 159 L HN 0.644 nan 8.230 nan 0.000 0.420 160 D N 6.093 126.417 120.400 -0.126 0.000 2.317 160 D HA 0.294 4.934 4.640 0.001 0.000 0.234 160 D C -0.869 175.389 176.300 -0.071 0.000 1.112 160 D CA -0.258 53.664 54.000 -0.129 0.000 0.840 160 D CB 1.177 41.840 40.800 -0.229 0.000 1.078 160 D HN 0.360 nan 8.370 nan 0.000 0.486 161 L N 6.082 127.291 121.223 -0.023 0.000 2.301 161 L HA 0.356 4.697 4.340 0.001 0.000 0.278 161 L C -2.200 174.701 176.870 0.052 0.000 1.022 161 L CA -1.851 53.002 54.840 0.022 0.000 0.854 161 L CB 1.693 43.781 42.059 0.047 0.000 1.226 161 L HN 0.157 nan 8.230 nan 0.000 0.429 162 P HA -0.116 nan 4.420 nan 0.000 0.266 162 P C 0.074 177.502 177.300 0.213 0.000 1.195 162 P CA -0.091 63.075 63.100 0.110 0.000 0.768 162 P CB 0.579 32.318 31.700 0.065 0.000 0.838 163 W N 3.938 125.271 121.300 0.055 0.000 2.317 163 W HA -0.227 4.434 4.660 0.001 0.000 0.318 163 W C 1.663 178.182 176.519 0.000 0.000 1.227 163 W CA 1.887 59.256 57.345 0.041 0.000 1.269 163 W CB -1.207 28.269 29.460 0.028 0.000 1.155 163 W HN 0.434 nan 8.180 nan 0.000 0.484 164 D N 0.065 120.531 120.400 0.111 0.000 2.268 164 D HA -0.267 4.374 4.640 0.001 0.000 0.189 164 D C 2.049 178.344 176.300 -0.008 0.000 1.010 164 D CA 2.754 56.737 54.000 -0.028 0.000 0.862 164 D CB -0.538 40.266 40.800 0.006 0.000 0.943 164 D HN 0.027 nan 8.370 nan 0.000 0.451 165 I N 0.386 120.977 120.570 0.035 0.000 2.315 165 I HA -0.120 4.051 4.170 0.001 0.000 0.248 165 I C 1.552 177.697 176.117 0.047 0.000 1.117 165 I CA 0.437 61.753 61.300 0.026 0.000 1.404 165 I CB -1.050 36.968 38.000 0.031 0.000 1.071 165 I HN 0.056 nan 8.210 nan 0.000 0.419 169 Q N 1.986 121.777 119.800 -0.016 0.000 2.316 169 Q HA 0.530 4.870 4.340 0.001 0.000 0.264 169 Q C -0.629 175.368 176.000 -0.005 0.000 0.987 169 Q CA -0.794 55.007 55.803 -0.004 0.000 0.852 169 Q CB 1.737 30.472 28.738 -0.005 0.000 1.287 169 Q HN 0.553 nan 8.270 nan 0.000 0.448 170 I N -1.750 118.822 120.570 0.003 0.000 2.846 170 I HA 0.364 4.534 4.170 0.001 0.000 0.307 170 I C -0.342 175.780 176.117 0.009 0.000 1.053 170 I CA -1.079 60.223 61.300 0.003 0.000 1.050 170 I CB 1.219 39.221 38.000 0.004 0.000 1.239 170 I HN 0.436 nan 8.210 nan 0.000 0.439 171 D N 4.014 124.419 120.400 0.008 0.000 2.338 171 D HA 0.021 4.661 4.640 0.001 0.000 0.255 171 D C -0.055 176.254 176.300 0.015 0.000 1.237 171 D CA -0.185 53.822 54.000 0.011 0.000 0.883 171 D CB 0.779 41.584 40.800 0.008 0.000 1.087 171 D HN 0.794 nan 8.370 nan 0.000 0.485 172 E N 3.504 123.715 120.200 0.018 0.000 2.467 172 E HA -0.111 4.239 4.350 0.001 0.000 0.264 172 E C -0.308 176.303 176.600 0.018 0.000 1.020 172 E CA -0.076 56.337 56.400 0.022 0.000 0.945 172 E CB 0.441 30.157 29.700 0.026 0.000 0.942 172 E HN 0.440 nan 8.360 nan 0.000 0.449 173 D N 0.595 121.007 120.400 0.019 0.000 2.839 173 D HA -0.187 4.454 4.640 0.001 0.000 0.194 173 D C 0.856 177.166 176.300 0.016 0.000 0.988 173 D CA 1.530 55.540 54.000 0.016 0.000 1.009 173 D CB -1.637 39.172 40.800 0.014 0.000 1.067 173 D HN 0.544 nan 8.370 nan 0.000 0.444 174 S N -1.110 114.600 115.700 0.017 0.000 2.497 174 S HA 0.271 4.742 4.470 0.001 0.000 0.218 174 S C 0.666 175.280 174.600 0.023 0.000 1.023 174 S CA 0.419 58.630 58.200 0.018 0.000 0.913 174 S CB 1.336 64.546 63.200 0.016 0.000 0.800 174 S HN 0.261 nan 8.310 nan 0.000 0.505 175 V N 1.751 121.680 119.914 0.025 0.000 2.487 175 V HA 0.661 4.782 4.120 0.001 0.000 0.298 175 V C -1.002 175.108 176.094 0.027 0.000 1.028 175 V CA -1.231 61.088 62.300 0.032 0.000 0.860 175 V CB 1.389 33.235 31.823 0.040 0.000 0.991 175 V HN 0.404 nan 8.190 nan 0.000 0.427 176 I N 6.753 127.339 120.570 0.026 0.000 2.474 176 I HA 0.410 4.581 4.170 0.001 0.000 0.287 176 I C -0.119 176.011 176.117 0.020 0.000 1.048 176 I CA 0.181 61.494 61.300 0.020 0.000 1.383 176 I CB 1.282 39.292 38.000 0.016 0.000 1.412 176 I HN 0.586 nan 8.210 nan 0.000 0.531 177 I N 10.219 130.798 120.570 0.014 0.000 2.301 177 I HA 0.285 4.456 4.170 0.001 0.000 0.292 177 I C -1.969 174.152 176.117 0.007 0.000 1.046 177 I CA -1.606 59.701 61.300 0.010 0.000 1.282 177 I CB 0.154 38.154 38.000 0.001 0.000 1.409 177 I HN 0.446 nan 8.210 nan 0.000 0.484 178 P HA 0.160 nan 4.420 nan 0.000 0.274 178 P C -0.639 176.662 177.300 0.001 0.000 1.237 178 P CA -0.441 62.661 63.100 0.004 0.000 0.793 178 P CB 0.593 32.296 31.700 0.005 0.000 0.977 179 D N 0.273 120.672 120.400 -0.001 0.000 2.358 179 D HA 0.109 4.749 4.640 0.001 0.000 0.244 179 D C -0.058 176.241 176.300 -0.002 0.000 1.163 179 D CA -0.071 53.928 54.000 -0.002 0.000 0.945 179 D CB 0.543 41.341 40.800 -0.003 0.000 1.152 179 D HN 0.164 nan 8.370 nan 0.000 0.451 180 L N 1.832 123.053 121.223 -0.003 0.000 2.363 180 L HA 0.153 4.493 4.340 0.001 0.000 0.286 180 L C -0.898 175.968 176.870 -0.005 0.000 1.106 180 L CA -0.111 54.727 54.840 -0.002 0.000 0.859 180 L CB 0.226 42.285 42.059 -0.000 0.000 1.223 180 L HN 0.023 nan 8.230 nan 0.000 0.446 181 V N 7.032 126.942 119.914 -0.006 0.000 2.284 181 V HA 0.549 4.670 4.120 0.001 0.000 0.274 181 V C -0.573 175.516 176.094 -0.008 0.000 1.023 181 V CA -0.511 61.786 62.300 -0.006 0.000 0.808 181 V CB 1.061 32.881 31.823 -0.005 0.000 1.035 181 V HN 0.647 nan 8.190 nan 0.000 0.445 182 L N 3.965 125.183 121.223 -0.008 0.000 2.641 182 L HA 0.594 4.935 4.340 0.001 0.000 0.261 182 L C -0.177 176.686 176.870 -0.012 0.000 0.926 182 L CA 0.100 54.935 54.840 -0.009 0.000 0.917 182 L CB 2.302 44.355 42.059 -0.011 0.000 1.361 182 L HN 0.527 nan 8.230 nan 0.000 0.417 183 S N 3.174 118.874 115.700 0.001 0.000 2.562 183 S HA 0.555 5.026 4.470 0.001 0.000 0.281 183 S C 1.264 175.834 174.600 -0.049 0.000 1.333 183 S CA 0.315 58.519 58.200 0.007 0.000 1.052 183 S CB 1.290 64.534 63.200 0.073 0.000 0.884 183 S HN 1.070 nan 8.310 nan 0.000 0.506 184 A N 3.901 126.620 122.820 -0.168 0.000 2.072 184 A HA 0.164 4.485 4.320 0.001 0.000 0.216 184 A C 0.723 178.153 177.584 -0.257 0.000 1.156 184 A CA 0.281 52.175 52.037 -0.239 0.000 0.701 184 A CB -0.425 18.389 19.000 -0.311 0.000 0.816 184 A HN 0.942 nan 8.150 nan 0.000 0.458 185 H N 0.275 119.340 119.070 -0.008 0.000 2.562 185 H HA 0.416 4.973 4.556 0.001 0.000 0.314 185 H C 0.815 176.136 175.328 -0.012 0.000 1.079 185 H CA -0.187 55.854 56.048 -0.011 0.000 1.349 185 H CB 0.700 30.455 29.762 -0.012 0.000 1.432 185 H HN 0.246 nan 8.280 nan 0.000 0.479 186 G N 1.343 110.197 108.800 0.091 0.000 2.684 186 G HA2 0.336 4.297 3.960 0.001 0.000 0.255 186 G HA3 0.336 4.297 3.960 0.001 0.000 0.255 186 G C 0.081 175.005 174.900 0.041 0.000 1.219 186 G CA -0.218 44.910 45.100 0.047 0.000 0.901 186 G HN 0.805 nan 8.290 nan 0.000 0.548 187 A N -0.204 122.628 122.820 0.020 0.000 2.425 187 A HA 0.590 4.911 4.320 0.001 0.000 0.242 187 A C 0.822 178.405 177.584 -0.002 0.000 1.077 187 A CA -0.007 52.035 52.037 0.008 0.000 0.781 187 A CB 0.221 19.223 19.000 0.004 0.000 1.020 187 A HN 1.005 nan 8.150 nan 0.000 0.494 188 R N 1.132 121.626 120.500 -0.010 0.000 2.888 188 R HA 0.744 5.085 4.340 0.001 0.000 0.266 188 R C -3.068 173.221 176.300 -0.019 0.000 1.020 188 R CA -1.768 54.319 56.100 -0.020 0.000 0.963 188 R CB 0.366 30.648 30.300 -0.030 0.000 1.197 188 R HN 0.402 nan 8.270 nan 0.000 0.481 189 P HA -0.009 nan 4.420 nan 0.000 0.272 189 P C -0.946 176.346 177.300 -0.014 0.000 1.230 189 P CA -0.216 62.874 63.100 -0.017 0.000 0.788 189 P CB 0.422 32.110 31.700 -0.021 0.000 0.949 190 D N 1.937 122.333 120.400 -0.007 0.000 2.455 190 D HA -0.022 4.618 4.640 0.001 0.000 0.241 190 D C -1.419 174.879 176.300 -0.004 0.000 1.138 190 D CA -1.283 52.715 54.000 -0.005 0.000 0.877 190 D CB 0.662 41.461 40.800 -0.001 0.000 1.187 190 D HN 0.090 nan 8.370 nan 0.000 0.451 191 P HA -0.171 nan 4.420 nan 0.000 0.217 191 P C 0.857 178.160 177.300 0.006 0.000 1.151 191 P CA 1.753 64.853 63.100 0.000 0.000 0.849 191 P CB 0.125 31.825 31.700 -0.000 0.000 0.787 192 A N -0.423 122.400 122.820 0.005 0.000 1.930 192 A HA -0.184 4.137 4.320 0.001 0.000 0.217 192 A C 1.983 179.574 177.584 0.012 0.000 1.175 192 A CA 1.813 53.855 52.037 0.008 0.000 0.627 192 A CB -1.196 17.808 19.000 0.006 0.000 0.815 192 A HN 0.089 nan 8.150 nan 0.000 0.443 193 D N -0.276 120.130 120.400 0.010 0.000 2.117 193 D HA -0.123 4.517 4.640 0.001 0.000 0.197 193 D C 1.841 178.152 176.300 0.018 0.000 0.987 193 D CA 1.062 55.070 54.000 0.014 0.000 0.829 193 D CB -0.412 40.394 40.800 0.009 0.000 0.961 193 D HN 0.314 nan 8.370 nan 0.000 0.460 194 L N 1.223 122.453 121.223 0.011 0.000 2.012 194 L HA -0.182 4.158 4.340 0.001 0.000 0.210 194 L C 1.655 178.550 176.870 0.042 0.000 1.073 194 L CA 1.735 56.583 54.840 0.014 0.000 0.748 194 L CB -0.438 41.620 42.059 -0.002 0.000 0.891 194 L HN -0.145 nan 8.230 nan 0.000 0.431 195 D N -0.881 119.542 120.400 0.037 0.000 2.127 195 D HA -0.286 4.354 4.640 0.001 0.000 0.190 195 D C 2.101 178.431 176.300 0.050 0.000 1.000 195 D CA 1.561 55.588 54.000 0.044 0.000 0.839 195 D CB -0.197 40.618 40.800 0.025 0.000 0.955 195 D HN 0.452 nan 8.370 nan 0.000 0.446 196 Q N -0.136 119.687 119.800 0.039 0.000 2.084 196 Q HA -0.159 4.182 4.340 0.001 0.000 0.202 196 Q C 2.086 178.122 176.000 0.060 0.000 0.978 196 Q CA 1.553 57.380 55.803 0.039 0.000 0.844 196 Q CB -0.104 28.652 28.738 0.030 0.000 0.898 196 Q HN 0.242 nan 8.270 nan 0.000 0.426 197 A N 0.532 123.392 122.820 0.066 0.000 1.883 197 A HA -0.199 4.122 4.320 0.001 0.000 0.217 197 A C 1.913 179.585 177.584 0.148 0.000 1.186 197 A CA 1.265 53.356 52.037 0.089 0.000 0.624 197 A CB -0.603 18.437 19.000 0.066 0.000 0.822 197 A HN 0.379 nan 8.150 nan 0.000 0.444 198 L N -0.650 120.678 121.223 0.174 0.000 2.093 198 L HA -0.041 4.300 4.340 0.001 0.000 0.208 198 L C 2.953 179.955 176.870 0.219 0.000 1.085 198 L CA 1.722 56.745 54.840 0.304 0.000 0.755 198 L CB -1.353 40.894 42.059 0.313 0.000 0.904 198 L HN 0.418 nan 8.230 nan 0.000 0.435 199 A N -0.843 122.037 122.820 0.100 0.000 1.902 199 A HA -0.153 4.168 4.320 0.001 0.000 0.217 199 A C 2.344 179.960 177.584 0.054 0.000 1.181 199 A CA 1.415 53.472 52.037 0.034 0.000 0.623 199 A CB -0.641 18.366 19.000 0.013 0.000 0.818 199 A HN 0.372 nan 8.150 nan 0.000 0.443 200 L N -1.242 120.028 121.223 0.079 0.000 2.056 200 L HA -0.156 4.185 4.340 0.001 0.000 0.207 200 L C 2.519 179.457 176.870 0.112 0.000 1.078 200 L CA 1.003 55.889 54.840 0.077 0.000 0.749 200 L CB -0.452 41.650 42.059 0.072 0.000 0.901 200 L HN 0.411 nan 8.230 nan 0.000 0.433 201 L N 0.155 121.489 121.223 0.186 0.000 2.083 201 L HA -0.214 4.126 4.340 0.001 0.000 0.209 201 L C 2.746 179.817 176.870 0.335 0.000 1.083 201 L CA 1.671 56.671 54.840 0.267 0.000 0.752 201 L CB -0.542 41.741 42.059 0.373 0.000 0.899 201 L HN 0.168 nan 8.230 nan 0.000 0.433 202 R N 0.325 120.993 120.500 0.279 0.000 2.090 202 R HA -0.133 4.208 4.340 0.001 0.000 0.228 202 R C 1.845 178.173 176.300 0.046 0.000 1.110 202 R CA 1.486 57.649 56.100 0.105 0.000 0.973 202 R CB -0.167 29.969 30.300 -0.272 0.000 0.869 202 R HN 0.505 nan 8.270 nan 0.000 0.440 203 K N -0.052 120.366 120.400 0.030 0.000 2.417 203 K HA 0.260 4.581 4.320 0.001 0.000 0.196 203 K C -0.152 176.453 176.600 0.009 0.000 1.023 203 K CA 0.158 56.449 56.287 0.006 0.000 1.122 203 K CB 0.644 33.138 32.500 -0.011 0.000 0.850 203 K HN 0.084 nan 8.250 nan 0.000 0.521 204 A N 1.715 124.552 122.820 0.028 0.000 2.388 204 A HA 0.135 4.455 4.320 0.001 0.000 0.257 204 A C 0.462 178.012 177.584 -0.057 0.000 1.095 204 A CA -0.529 51.501 52.037 -0.012 0.000 0.791 204 A CB 0.559 19.562 19.000 0.005 0.000 1.029 204 A HN 0.398 nan 8.150 nan 0.000 0.489 205 E N 0.845 120.968 120.200 -0.128 0.000 2.140 205 E HA -0.000 4.351 4.350 0.001 0.000 0.191 205 E C 0.232 176.573 176.600 -0.431 0.000 0.973 205 E CA 0.667 56.953 56.400 -0.190 0.000 0.829 205 E CB 0.172 29.775 29.700 -0.161 0.000 0.781 205 E HN 0.647 nan 8.360 nan 0.000 0.466 206 R N 1.186 121.316 120.500 -0.616 0.000 2.738 206 R HA 0.220 4.561 4.340 0.001 0.000 0.280 206 R C -2.591 173.309 176.300 -0.667 0.000 1.456 206 R CA -1.363 53.899 56.100 -1.397 0.000 1.612 206 R CB 1.250 30.605 30.300 -1.574 0.000 1.286 206 R HN 0.092 nan 8.270 nan 0.000 0.660 207 P HA 0.255 nan 4.420 nan 0.000 0.276 207 P C -0.420 177.111 177.300 0.386 0.000 1.244 207 P CA -0.321 62.840 63.100 0.102 0.000 0.801 207 P CB 1.864 33.627 31.700 0.104 0.000 1.006 208 V N 2.262 122.339 119.914 0.272 0.000 2.969 208 V HA 0.368 4.488 4.120 0.001 0.000 0.304 208 V C -0.201 176.009 176.094 0.194 0.000 1.192 208 V CA -0.592 61.894 62.300 0.309 0.000 0.962 208 V CB 2.328 34.325 31.823 0.289 0.000 1.045 208 V HN 0.380 nan 8.190 nan 0.000 0.428 209 I N 3.728 124.418 120.570 0.201 0.000 2.441 209 I HA 0.639 4.810 4.170 0.001 0.000 0.295 209 I C -0.878 175.336 176.117 0.162 0.000 0.994 209 I CA -0.921 60.465 61.300 0.145 0.000 1.144 209 I CB 2.134 40.205 38.000 0.118 0.000 1.314 209 I HN 0.252 nan 8.210 nan 0.000 0.445 210 V N 6.891 126.856 119.914 0.085 0.000 2.407 210 V HA 0.426 4.547 4.120 0.001 0.000 0.291 210 V C -0.123 175.983 176.094 0.020 0.000 1.018 210 V CA -0.571 61.764 62.300 0.059 0.000 0.842 210 V CB 1.607 33.413 31.823 -0.029 0.000 0.996 210 V HN 0.466 nan 8.190 nan 0.000 0.426 211 L N 4.076 125.317 121.223 0.030 0.000 2.325 211 L HA 0.863 5.204 4.340 0.001 0.000 0.279 211 L C 0.884 177.746 176.870 -0.013 0.000 1.054 211 L CA -0.032 54.813 54.840 0.008 0.000 0.804 211 L CB 1.554 43.623 42.059 0.017 0.000 1.200 211 L HN 0.771 nan 8.230 nan 0.000 0.436 212 G N -0.356 108.425 108.800 -0.031 0.000 3.175 212 G HA2 0.332 4.292 3.960 0.001 0.000 0.255 212 G HA3 0.332 4.292 3.960 0.001 0.000 0.255 212 G C 0.716 175.589 174.900 -0.045 0.000 1.352 212 G CA 0.315 45.385 45.100 -0.050 0.000 1.037 212 G HN 0.620 nan 8.290 nan 0.000 0.556 213 S N -0.611 115.050 115.700 -0.066 0.000 2.370 213 S HA -0.149 4.322 4.470 0.001 0.000 0.226 213 S C 1.662 176.234 174.600 -0.047 0.000 1.033 213 S CA 2.045 60.208 58.200 -0.062 0.000 1.011 213 S CB -0.341 62.801 63.200 -0.096 0.000 0.852 213 S HN 0.509 nan 8.310 nan 0.000 0.457 214 E N 1.856 122.027 120.200 -0.048 0.000 2.153 214 E HA -0.042 4.309 4.350 0.001 0.000 0.194 214 E C 2.428 179.012 176.600 -0.025 0.000 0.988 214 E CA 1.089 57.468 56.400 -0.036 0.000 0.811 214 E CB -0.690 28.989 29.700 -0.036 0.000 0.746 214 E HN 0.731 nan 8.360 nan 0.000 0.466 215 A N 0.973 123.779 122.820 -0.022 0.000 1.902 215 A HA -0.189 4.131 4.320 0.001 0.000 0.217 215 A C 2.441 180.018 177.584 -0.012 0.000 1.181 215 A CA 1.922 53.952 52.037 -0.013 0.000 0.623 215 A CB -0.644 18.353 19.000 -0.005 0.000 0.818 215 A HN 0.248 nan 8.150 nan 0.000 0.443 216 S N -0.839 114.853 115.700 -0.014 0.000 2.356 216 S HA -0.176 4.294 4.470 0.001 0.000 0.223 216 S C 2.228 176.816 174.600 -0.021 0.000 1.032 216 S CA 1.278 59.469 58.200 -0.014 0.000 1.005 216 S CB -0.346 62.847 63.200 -0.013 0.000 0.867 216 S HN 0.537 nan 8.310 nan 0.000 0.449 217 R N 0.786 121.272 120.500 -0.023 0.000 2.120 217 R HA -0.046 4.295 4.340 0.001 0.000 0.234 217 R C 2.487 178.775 176.300 -0.021 0.000 1.123 217 R CA 1.812 57.898 56.100 -0.023 0.000 0.975 217 R CB -1.811 28.477 30.300 -0.020 0.000 0.866 217 R HN 0.749 nan 8.270 nan 0.000 0.446 218 T N -2.710 111.833 114.554 -0.018 0.000 3.051 218 T HA 0.314 4.665 4.350 0.001 0.000 0.255 218 T C 1.128 175.819 174.700 -0.016 0.000 1.085 218 T CA 0.545 62.636 62.100 -0.017 0.000 1.109 218 T CB 0.127 68.988 68.868 -0.012 0.000 0.921 218 T HN 0.262 nan 8.240 nan 0.000 0.488 219 A N 1.892 124.704 122.820 -0.014 0.000 2.748 219 A HA -0.172 4.149 4.320 0.001 0.000 0.297 219 A C 0.629 178.209 177.584 -0.007 0.000 1.508 219 A CA 0.510 52.539 52.037 -0.013 0.000 0.799 219 A CB -1.835 17.154 19.000 -0.019 0.000 1.011 219 A HN 0.470 nan 8.150 nan 0.000 0.500 220 R N 0.070 120.569 120.500 -0.001 0.000 4.154 220 R HA 0.180 4.521 4.340 0.001 0.000 0.186 220 R C 1.139 177.444 176.300 0.008 0.000 1.750 220 R CA 0.446 56.549 56.100 0.006 0.000 1.431 220 R CB -0.550 29.755 30.300 0.009 0.000 1.383 220 R HN 0.755 nan 8.270 nan 0.000 0.788 221 K N -0.005 120.397 120.400 0.003 0.000 2.025 221 K HA -0.139 4.181 4.320 0.001 0.000 0.207 221 K C 1.915 178.519 176.600 0.006 0.000 1.049 221 K CA 2.052 58.340 56.287 0.002 0.000 0.933 221 K CB -0.026 32.471 32.500 -0.005 0.000 0.714 221 K HN 0.450 nan 8.250 nan 0.000 0.438 222 T N -0.450 114.109 114.554 0.008 0.000 2.867 222 T HA -0.024 4.327 4.350 0.001 0.000 0.268 222 T C 2.074 176.786 174.700 0.019 0.000 1.057 222 T CA 1.036 63.142 62.100 0.010 0.000 1.136 222 T CB -0.142 68.731 68.868 0.008 0.000 0.874 222 T HN 0.170 nan 8.240 nan 0.000 0.466 223 A N 1.714 124.548 122.820 0.023 0.000 1.855 223 A HA 0.191 4.512 4.320 0.001 0.000 0.215 223 A C 2.478 180.099 177.584 0.062 0.000 1.191 223 A CA 1.315 53.371 52.037 0.032 0.000 0.613 223 A CB -1.119 17.890 19.000 0.016 0.000 0.829 223 A HN 0.531 nan 8.150 nan 0.000 0.442 224 L N 0.524 121.782 121.223 0.058 0.000 1.997 224 L HA -0.252 4.089 4.340 0.001 0.000 0.216 224 L C 2.956 179.874 176.870 0.080 0.000 1.074 224 L CA 2.531 57.428 54.840 0.095 0.000 0.763 224 L CB -0.411 41.680 42.059 0.052 0.000 0.890 224 L HN 0.639 nan 8.230 nan 0.000 0.434 225 S N -0.781 114.936 115.700 0.029 0.000 2.428 225 S HA -0.068 4.403 4.470 0.001 0.000 0.230 225 S C 2.038 176.631 174.600 -0.010 0.000 1.014 225 S CA 0.716 58.912 58.200 -0.007 0.000 0.957 225 S CB -0.198 62.991 63.200 -0.018 0.000 0.784 225 S HN 0.469 nan 8.310 nan 0.000 0.499 226 A N 1.252 124.085 122.820 0.022 0.000 1.898 226 A HA 0.092 4.413 4.320 0.001 0.000 0.216 226 A C 2.003 179.610 177.584 0.039 0.000 1.181 226 A CA 1.282 53.333 52.037 0.024 0.000 0.620 226 A CB -1.144 17.879 19.000 0.039 0.000 0.819 226 A HN 0.677 nan 8.150 nan 0.000 0.442 227 F N 0.558 120.453 119.950 -0.091 0.000 2.102 227 F HA -0.168 4.360 4.527 0.001 0.000 0.298 227 F C 2.139 177.828 175.800 -0.184 0.000 1.105 227 F CA 1.836 59.753 58.000 -0.138 0.000 1.239 227 F CB -0.002 38.932 39.000 -0.111 0.000 0.991 227 F HN 0.050 nan 8.300 nan 0.000 0.474 228 V N 0.684 120.401 119.914 -0.328 0.000 2.358 228 V HA -0.289 3.832 4.120 0.001 0.000 0.246 228 V C 2.717 178.625 176.094 -0.311 0.000 1.047 228 V CA 1.690 63.745 62.300 -0.409 0.000 1.035 228 V CB -1.419 30.270 31.823 -0.223 0.000 0.658 228 V HN 0.502 nan 8.190 nan 0.000 0.452 229 A N -0.022 122.682 122.820 -0.193 0.000 1.933 229 A HA -0.064 4.257 4.320 0.001 0.000 0.218 229 A C 2.388 179.876 177.584 -0.160 0.000 1.175 229 A CA 1.951 53.904 52.037 -0.140 0.000 0.628 229 A CB -0.636 18.317 19.000 -0.079 0.000 0.814 229 A HN 0.558 nan 8.150 nan 0.000 0.444 230 A N -0.550 122.145 122.820 -0.209 0.000 1.929 230 A HA -0.022 4.299 4.320 0.001 0.000 0.216 230 A C 2.343 179.667 177.584 -0.434 0.000 1.176 230 A CA 2.285 54.184 52.037 -0.231 0.000 0.628 230 A CB -0.897 17.991 19.000 -0.187 0.000 0.816 230 A HN 0.732 nan 8.150 nan 0.000 0.444 231 T N -4.979 109.183 114.554 -0.655 0.000 3.037 231 T HA 0.383 4.734 4.350 0.001 0.000 0.252 231 T C 1.455 175.957 174.700 -0.329 0.000 1.073 231 T CA 1.122 62.763 62.100 -0.765 0.000 1.091 231 T CB -0.107 68.073 68.868 -1.147 0.000 0.935 231 T HN 1.641 nan 8.240 nan 0.000 0.488 232 G N 1.267 109.902 108.800 -0.275 0.000 2.225 232 G HA2 -0.211 3.750 3.960 0.001 0.000 0.267 232 G HA3 -0.211 3.750 3.960 0.001 0.000 0.267 232 G C 0.032 174.869 174.900 -0.105 0.000 1.024 232 G CA 0.223 45.237 45.100 -0.144 0.000 0.784 232 G HN 0.719 nan 8.290 nan 0.000 0.507 233 V N 2.584 122.385 119.914 -0.188 0.000 2.406 233 V HA 0.405 4.526 4.120 0.001 0.000 0.272 233 V C -1.043 175.003 176.094 -0.081 0.000 1.043 233 V CA -1.431 60.826 62.300 -0.072 0.000 0.915 233 V CB 1.484 33.233 31.823 -0.123 0.000 0.988 233 V HN 0.262 nan 8.190 nan 0.000 0.466 234 P HA 0.202 nan 4.420 nan 0.000 0.271 234 P C -0.937 176.299 177.300 -0.105 0.000 1.218 234 P CA 0.003 63.020 63.100 -0.140 0.000 0.780 234 P CB 1.121 32.687 31.700 -0.223 0.000 0.901 235 V N 3.526 123.289 119.914 -0.252 0.000 2.487 235 V HA 0.428 4.549 4.120 0.001 0.000 0.298 235 V C -0.003 175.895 176.094 -0.327 0.000 1.028 235 V CA -0.383 61.829 62.300 -0.146 0.000 0.860 235 V CB 0.977 32.740 31.823 -0.101 0.000 0.991 235 V HN 0.388 nan 8.190 nan 0.000 0.427 236 F N 1.897 121.811 119.950 -0.059 0.000 2.572 236 F HA 0.932 5.459 4.527 0.001 0.000 0.342 236 F C 0.492 176.261 175.800 -0.051 0.000 1.064 236 F CA -0.633 57.329 58.000 -0.063 0.000 1.008 236 F CB 1.933 40.881 39.000 -0.087 0.000 1.303 236 F HN 0.632 nan 8.300 nan 0.000 0.492 237 A N 0.394 123.312 122.820 0.163 0.000 2.594 237 A HA 0.557 4.878 4.320 0.001 0.000 0.295 237 A C -1.518 176.089 177.584 0.038 0.000 1.071 237 A CA -0.861 51.220 52.037 0.073 0.000 0.685 237 A CB 1.059 20.090 19.000 0.052 0.000 1.285 237 A HN 0.683 nan 8.150 nan 0.000 0.405 238 D N 0.159 120.549 120.400 -0.016 0.000 2.414 238 D HA 0.172 4.813 4.640 0.001 0.000 0.259 238 D C 0.744 177.057 176.300 0.022 0.000 1.269 238 D CA -0.067 53.875 54.000 -0.097 0.000 1.028 238 D CB -0.057 40.662 40.800 -0.135 0.000 1.093 238 D HN 0.433 nan 8.370 nan 0.000 0.545 239 Y N -0.955 119.423 120.300 0.129 0.000 2.114 239 Y HA -0.128 4.423 4.550 0.001 0.000 0.282 239 Y C 2.479 178.481 175.900 0.170 0.000 1.165 239 Y CA 1.737 59.978 58.100 0.235 0.000 1.148 239 Y CB -0.887 37.655 38.460 0.136 0.000 0.972 239 Y HN 0.488 nan 8.280 nan 0.000 0.504 240 E N -0.341 119.972 120.200 0.189 0.000 2.268 240 E HA -0.045 4.306 4.350 0.001 0.000 0.195 240 E C 2.333 178.973 176.600 0.066 0.000 0.995 240 E CA 1.056 57.499 56.400 0.072 0.000 0.836 240 E CB -0.513 29.177 29.700 -0.016 0.000 0.763 240 E HN 0.402 nan 8.360 nan 0.000 0.491 241 G N -0.204 108.637 108.800 0.068 0.000 2.939 241 G HA2 -0.089 3.871 3.960 0.001 0.000 0.210 241 G HA3 -0.089 3.871 3.960 0.001 0.000 0.210 241 G C 1.296 176.235 174.900 0.065 0.000 1.160 241 G CA 0.270 45.397 45.100 0.045 0.000 0.770 241 G HN 0.292 nan 8.290 nan 0.000 0.543 242 L N 2.340 123.637 121.223 0.123 0.000 2.043 242 L HA 0.009 4.350 4.340 0.001 0.000 0.212 242 L C 2.161 179.061 176.870 0.049 0.000 1.075 242 L CA 1.613 56.511 54.840 0.096 0.000 0.752 242 L CB -0.817 41.325 42.059 0.138 0.000 0.891 242 L HN 0.273 nan 8.230 nan 0.000 0.432 246 S N 1.020 116.695 115.700 -0.042 0.000 2.423 246 S HA -0.047 4.424 4.470 0.001 0.000 0.231 246 S C 1.804 176.377 174.600 -0.045 0.000 1.014 246 S CA 1.615 59.788 58.200 -0.045 0.000 0.965 246 S CB -0.051 63.130 63.200 -0.032 0.000 0.785 246 S HN 0.610 nan 8.310 nan 0.000 0.495 247 G N 0.630 109.406 108.800 -0.040 0.000 2.939 247 G HA2 0.283 4.243 3.960 0.001 0.000 0.210 247 G HA3 0.283 4.243 3.960 0.001 0.000 0.210 247 G C 0.341 175.213 174.900 -0.046 0.000 1.160 247 G CA -0.277 44.800 45.100 -0.038 0.000 0.770 247 G HN 0.317 nan 8.290 nan 0.000 0.543 248 L N 1.146 122.334 121.223 -0.058 0.000 2.436 248 L HA 0.282 4.622 4.340 0.001 0.000 0.265 248 L C -1.969 174.853 176.870 -0.080 0.000 1.168 248 L CA -1.843 52.953 54.840 -0.073 0.000 0.815 248 L CB 0.519 42.524 42.059 -0.090 0.000 1.109 248 L HN -0.103 nan 8.230 nan 0.000 0.462 249 P HA -0.007 nan 4.420 nan 0.000 0.266 249 P C -0.016 177.225 177.300 -0.098 0.000 1.195 249 P CA -0.132 62.919 63.100 -0.082 0.000 0.768 249 P CB 0.535 32.188 31.700 -0.079 0.000 0.838 250 D N 1.135 121.479 120.400 -0.092 0.000 2.116 250 D HA -0.135 4.506 4.640 0.001 0.000 0.193 250 D C 1.135 177.362 176.300 -0.122 0.000 0.998 250 D CA 1.314 55.251 54.000 -0.106 0.000 0.836 250 D CB -0.313 40.431 40.800 -0.093 0.000 0.951 250 D HN 0.455 nan 8.370 nan 0.000 0.449 254 G N 0.951 109.315 108.800 -0.728 0.000 2.464 254 G HA2 0.310 4.271 3.960 0.001 0.000 0.217 254 G HA3 0.310 4.271 3.960 0.001 0.000 0.217 254 G C 0.789 175.256 174.900 -0.722 0.000 1.138 254 G CA 0.901 45.254 45.100 -1.245 0.000 0.793 254 G HN 0.928 nan 8.290 nan 0.000 0.539 255 G N -0.494 108.033 108.800 -0.455 0.000 2.484 255 G HA2 -0.193 3.768 3.960 0.001 0.000 0.225 255 G HA3 -0.193 3.768 3.960 0.001 0.000 0.225 255 G C -0.156 174.779 174.900 0.059 0.000 1.250 255 G CA -0.371 44.654 45.100 -0.126 0.000 0.926 255 G HN 0.557 nan 8.290 nan 0.000 0.581 256 L N 1.394 122.690 121.223 0.123 0.000 2.453 256 L HA 0.210 4.551 4.340 0.001 0.000 0.272 256 L C 2.385 179.394 176.870 0.231 0.000 1.182 256 L CA 0.089 55.021 54.840 0.153 0.000 0.858 256 L CB 1.214 43.357 42.059 0.140 0.000 1.120 256 L HN 0.754 nan 8.230 nan 0.000 0.474 257 V N 0.616 120.608 119.914 0.131 0.000 2.453 257 V HA -0.319 3.801 4.120 0.001 0.000 0.252 257 V C 2.296 178.364 176.094 -0.044 0.000 1.068 257 V CA 1.941 64.237 62.300 -0.006 0.000 1.070 257 V CB -1.367 30.392 31.823 -0.106 0.000 0.664 257 V HN 1.079 nan 8.190 nan 0.000 0.461 258 Q N 3.706 123.514 119.800 0.014 0.000 2.096 258 Q HA -0.345 3.996 4.340 0.001 0.000 0.208 258 Q C 1.734 177.809 176.000 0.125 0.000 0.993 258 Q CA 2.557 58.392 55.803 0.052 0.000 0.862 258 Q CB -1.143 27.629 28.738 0.057 0.000 0.915 258 Q HN 0.835 nan 8.270 nan 0.000 0.416 259 N N 0.436 119.242 118.700 0.176 0.000 2.575 259 N HA -0.077 4.664 4.740 0.001 0.000 0.192 259 N C 1.136 176.853 175.510 0.344 0.000 1.200 259 N CA 0.386 53.599 53.050 0.272 0.000 0.897 259 N CB -0.084 38.577 38.487 0.289 0.000 0.990 259 N HN 0.187 nan 8.380 nan 0.000 0.449 260 L N -0.482 120.759 121.223 0.031 0.000 2.465 260 L HA 0.086 4.427 4.340 0.001 0.000 0.224 260 L C 1.665 178.580 176.870 0.076 0.000 1.145 260 L CA 0.699 55.332 54.840 -0.345 0.000 0.834 260 L CB -1.074 40.540 42.059 -0.742 0.000 0.944 260 L HN 0.267 nan 8.230 nan 0.000 0.451 261 Y N 0.158 120.506 120.300 0.081 0.000 2.128 261 Y HA -0.299 4.252 4.550 0.001 0.000 0.284 261 Y C 2.576 178.565 175.900 0.149 0.000 1.154 261 Y CA 2.046 60.195 58.100 0.081 0.000 1.149 261 Y CB -0.199 38.295 38.460 0.057 0.000 0.976 261 Y HN 0.357 nan 8.280 nan 0.000 0.505 262 S N -0.918 114.981 115.700 0.332 0.000 2.603 262 S HA -0.045 4.426 4.470 0.001 0.000 0.220 262 S C 1.617 176.289 174.600 0.120 0.000 0.967 262 S CA 0.053 58.358 58.200 0.174 0.000 0.920 262 S CB -1.247 62.074 63.200 0.202 0.000 0.773 262 S HN 0.456 nan 8.310 nan 0.000 0.529 263 F N 2.292 122.238 119.950 -0.006 0.000 2.134 263 F HA -0.021 4.506 4.527 0.001 0.000 0.299 263 F C 2.881 178.687 175.800 0.009 0.000 1.097 263 F CA 0.974 58.994 58.000 0.033 0.000 1.264 263 F CB -0.612 38.424 39.000 0.059 0.000 1.001 263 F HN 0.342 nan 8.300 nan 0.000 0.479 264 A N -0.121 122.781 122.820 0.137 0.000 1.859 264 A HA -0.241 4.080 4.320 0.001 0.000 0.217 264 A C 2.178 179.770 177.584 0.013 0.000 1.198 264 A CA 1.680 53.740 52.037 0.038 0.000 0.629 264 A CB -0.645 18.326 19.000 -0.048 0.000 0.830 264 A HN 0.114 nan 8.150 nan 0.000 0.446 265 K N -0.165 120.225 120.400 -0.018 0.000 2.515 265 K HA 0.087 4.407 4.320 0.001 0.000 0.196 265 K C 1.449 178.046 176.600 -0.006 0.000 1.038 265 K CA 0.885 57.162 56.287 -0.016 0.000 0.967 265 K CB -0.315 32.170 32.500 -0.024 0.000 0.780 265 K HN 0.453 nan 8.250 nan 0.000 0.483 266 A N 0.573 123.389 122.820 -0.006 0.000 2.345 266 A HA 0.060 4.380 4.320 0.001 0.000 0.225 266 A C -0.152 177.437 177.584 0.007 0.000 1.243 266 A CA 0.106 52.130 52.037 -0.022 0.000 0.875 266 A CB 0.218 19.164 19.000 -0.090 0.000 0.929 266 A HN 0.302 nan 8.150 nan 0.000 0.502 267 D N -2.400 118.017 120.400 0.028 0.000 3.041 267 D HA -0.199 4.442 4.640 0.001 0.000 0.220 267 D C 0.603 176.951 176.300 0.079 0.000 1.157 267 D CA 1.161 55.186 54.000 0.041 0.000 0.876 267 D CB -1.377 39.439 40.800 0.027 0.000 1.107 267 D HN 0.665 nan 8.370 nan 0.000 0.422 268 A N -0.709 122.195 122.820 0.140 0.000 2.606 268 A HA 0.624 4.945 4.320 0.001 0.000 0.290 268 A C 0.960 178.799 177.584 0.425 0.000 1.174 268 A CA 0.623 52.835 52.037 0.291 0.000 0.958 268 A CB 0.435 19.648 19.000 0.354 0.000 1.194 268 A HN 0.396 nan 8.150 nan 0.000 0.526 269 A N 1.623 124.585 122.820 0.236 0.000 2.566 269 A HA 0.468 4.789 4.320 0.001 0.000 0.245 269 A C -2.281 175.362 177.584 0.098 0.000 1.056 269 A CA -0.581 51.562 52.037 0.176 0.000 0.757 269 A CB -0.561 18.476 19.000 0.062 0.000 0.979 269 A HN 0.299 nan 8.150 nan 0.000 0.508 270 P HA -0.054 nan 4.420 nan 0.000 0.264 270 P C 0.326 177.585 177.300 -0.068 0.000 1.179 270 P CA 0.294 63.400 63.100 0.009 0.000 0.763 270 P CB 0.580 32.291 31.700 0.018 0.000 0.806 271 D N 2.043 122.354 120.400 -0.148 0.000 2.162 271 D HA 0.022 4.662 4.640 0.001 0.000 0.203 271 D C 0.181 176.453 176.300 -0.047 0.000 0.967 271 D CA 0.965 54.895 54.000 -0.117 0.000 0.840 271 D CB 0.198 40.888 40.800 -0.183 0.000 0.972 271 D HN 0.223 nan 8.370 nan 0.000 0.482 272 L N -0.007 121.201 121.223 -0.025 0.000 2.513 272 L HA 0.426 4.767 4.340 0.001 0.000 0.261 272 L C -1.840 175.055 176.870 0.042 0.000 0.945 272 L CA -0.731 54.120 54.840 0.019 0.000 0.848 272 L CB 2.204 44.281 42.059 0.030 0.000 1.334 272 L HN -0.222 nan 8.230 nan 0.000 0.407 273 V N 5.399 125.340 119.914 0.045 0.000 2.531 273 V HA 0.614 4.734 4.120 0.001 0.000 0.301 273 V C -1.228 174.894 176.094 0.046 0.000 1.034 273 V CA -0.409 61.915 62.300 0.040 0.000 0.865 273 V CB 1.776 33.597 31.823 -0.004 0.000 0.995 273 V HN 0.799 nan 8.190 nan 0.000 0.424 277 G N 0.736 109.506 108.800 -0.049 0.000 2.179 277 G HA2 -0.200 3.760 3.960 0.001 0.000 0.260 277 G HA3 -0.200 3.760 3.960 0.001 0.000 0.260 277 G C 0.367 175.221 174.900 -0.077 0.000 0.977 277 G CA 0.209 45.275 45.100 -0.056 0.000 0.641 277 G HN 0.887 nan 8.290 nan 0.000 0.533 278 A N 0.627 123.388 122.820 -0.098 0.000 2.347 278 A HA 0.740 5.061 4.320 0.001 0.000 0.287 278 A C 0.775 178.250 177.584 -0.182 0.000 1.199 278 A CA -0.079 51.881 52.037 -0.129 0.000 0.851 278 A CB 0.252 19.167 19.000 -0.142 0.000 1.118 278 A HN 0.502 nan 8.150 nan 0.000 0.525 279 R N 1.198 121.631 120.500 -0.113 0.000 2.528 279 R HA 0.389 4.730 4.340 0.001 0.000 0.271 279 R C -1.070 175.148 176.300 -0.137 0.000 1.056 279 R CA -0.324 55.731 56.100 -0.075 0.000 1.117 279 R CB 0.705 31.053 30.300 0.079 0.000 1.085 279 R HN 0.657 nan 8.270 nan 0.000 0.530 280 F N 0.844 120.813 119.950 0.030 0.000 2.506 280 F HA 0.330 4.858 4.527 0.001 0.000 0.371 280 F C 1.311 177.103 175.800 -0.013 0.000 1.078 280 F CA 1.143 59.148 58.000 0.009 0.000 1.195 280 F CB 1.000 40.014 39.000 0.023 0.000 1.099 280 F HN 0.661 nan 8.300 nan 0.000 0.548 281 G N 2.124 110.964 108.800 0.067 0.000 2.336 281 G HA2 0.137 4.097 3.960 0.001 0.000 0.286 281 G HA3 0.137 4.097 3.960 0.001 0.000 0.286 281 G C -0.202 174.419 174.900 -0.465 0.000 1.269 281 G CA -0.568 44.435 45.100 -0.161 0.000 0.873 281 G HN 0.569 nan 8.290 nan 0.000 0.494 282 L N 0.723 121.633 121.223 -0.521 0.000 1.991 282 L HA -0.155 4.186 4.340 0.001 0.000 0.221 282 L C 2.283 179.017 176.870 -0.226 0.000 1.079 282 L CA 3.219 57.816 54.840 -0.406 0.000 0.778 282 L CB -0.621 41.403 42.059 -0.059 0.000 0.893 282 L HN 0.570 nan 8.230 nan 0.000 0.437 283 N N -1.123 117.556 118.700 -0.035 0.000 2.331 283 N HA -0.079 4.662 4.740 0.001 0.000 0.180 283 N C 1.393 176.827 175.510 -0.128 0.000 1.019 283 N CA 1.570 54.564 53.050 -0.094 0.000 0.881 283 N CB -0.419 38.000 38.487 -0.114 0.000 0.972 283 N HN 0.682 nan 8.380 nan 0.000 0.435 284 T N -3.404 111.076 114.554 -0.124 0.000 3.145 284 T HA 0.393 4.743 4.350 0.001 0.000 0.255 284 T C 1.108 175.768 174.700 -0.066 0.000 1.039 284 T CA 0.156 62.191 62.100 -0.108 0.000 0.928 284 T CB 0.298 69.084 68.868 -0.135 0.000 1.029 284 T HN 0.224 nan 8.240 nan 0.000 0.554 285 G N 1.716 110.439 108.800 -0.129 0.000 2.160 285 G HA2 -0.265 3.696 3.960 0.001 0.000 0.244 285 G HA3 -0.265 3.696 3.960 0.001 0.000 0.244 285 G C 0.277 175.215 174.900 0.063 0.000 1.022 285 G CA 0.477 45.557 45.100 -0.035 0.000 0.741 285 G HN 0.917 nan 8.290 nan 0.000 0.508 286 H N -1.946 117.188 119.070 0.106 0.000 1.452 286 H HA -0.243 4.313 4.556 0.001 0.000 0.090 286 H C 2.008 177.421 175.328 0.141 0.000 0.973 286 H CA 2.460 58.572 56.048 0.108 0.000 1.901 286 H CB -1.245 28.545 29.762 0.047 0.000 2.257 286 H HN 1.137 nan 8.280 nan 0.000 0.961 287 G N -0.850 108.093 108.800 0.239 0.000 3.277 287 G HA2 0.186 4.147 3.960 0.001 0.000 0.243 287 G HA3 0.186 4.147 3.960 0.001 0.000 0.243 287 G C 1.223 176.251 174.900 0.215 0.000 1.107 287 G CA 0.643 45.820 45.100 0.127 0.000 0.771 287 G HN 0.704 nan 8.290 nan 0.000 0.544 288 S N -0.123 115.681 115.700 0.173 0.000 2.447 288 S HA 0.189 4.660 4.470 0.001 0.000 0.233 288 S C 2.118 176.659 174.600 -0.099 0.000 1.006 288 S CA 1.209 59.474 58.200 0.108 0.000 0.957 288 S CB -0.376 62.889 63.200 0.108 0.000 0.773 288 S HN 1.439 nan 8.310 nan 0.000 0.507 289 G N 0.931 109.602 108.800 -0.214 0.000 2.153 289 G HA2 -0.315 3.645 3.960 0.001 0.000 0.252 289 G HA3 -0.315 3.645 3.960 0.001 0.000 0.252 289 G C 0.633 175.357 174.900 -0.293 0.000 0.994 289 G CA 0.590 45.365 45.100 -0.540 0.000 0.698 289 G HN 0.604 nan 8.290 nan 0.000 0.521 290 Q N -1.053 118.661 119.800 -0.143 0.000 2.311 290 Q HA 0.271 4.611 4.340 0.001 0.000 0.203 290 Q C 2.477 178.411 176.000 -0.109 0.000 0.954 290 Q CA 1.109 56.837 55.803 -0.125 0.000 0.885 290 Q CB 0.130 28.862 28.738 -0.010 0.000 0.963 290 Q HN 0.696 nan 8.270 nan 0.000 0.471 291 L N -0.778 120.399 121.223 -0.078 0.000 2.638 291 L HA 0.188 4.528 4.340 0.001 0.000 0.195 291 L C 0.422 177.203 176.870 -0.148 0.000 1.065 291 L CA -0.096 54.675 54.840 -0.115 0.000 0.859 291 L CB 0.586 42.591 42.059 -0.090 0.000 1.269 291 L HN 0.065 nan 8.230 nan 0.000 0.484 292 I N 2.497 123.022 120.570 -0.074 0.000 2.282 292 I HA 0.279 4.450 4.170 0.001 0.000 0.290 292 I C -2.353 173.750 176.117 -0.025 0.000 1.090 292 I CA -2.325 58.961 61.300 -0.023 0.000 1.231 292 I CB -0.098 37.967 38.000 0.108 0.000 1.434 292 I HN -0.199 nan 8.210 nan 0.000 0.487 293 P HA 0.062 nan 4.420 nan 0.000 0.268 293 P C 0.851 178.145 177.300 -0.010 0.000 1.204 293 P CA 0.095 63.138 63.100 -0.095 0.000 0.768 293 P CB 0.418 32.087 31.700 -0.051 0.000 0.842 294 H N 1.178 120.252 119.070 0.007 0.000 2.422 294 H HA -0.113 4.443 4.556 0.001 0.000 0.298 294 H C 1.793 177.120 175.328 -0.001 0.000 1.098 294 H CA 2.139 58.186 56.048 -0.001 0.000 1.315 294 H CB -0.897 28.857 29.762 -0.013 0.000 1.382 294 H HN 0.455 nan 8.280 nan 0.000 0.523 295 S N -0.028 115.736 115.700 0.107 0.000 2.515 295 S HA 0.208 4.679 4.470 0.001 0.000 0.231 295 S C 1.277 175.899 174.600 0.035 0.000 0.987 295 S CA 0.130 58.363 58.200 0.056 0.000 0.936 295 S CB -0.070 63.148 63.200 0.029 0.000 0.766 295 S HN 0.434 nan 8.310 nan 0.000 0.528 296 A N 1.238 124.082 122.820 0.040 0.000 2.316 296 A HA 0.487 4.807 4.320 0.001 0.000 0.284 296 A C 0.085 177.696 177.584 0.045 0.000 1.115 296 A CA -0.658 51.396 52.037 0.028 0.000 0.812 296 A CB 0.324 19.337 19.000 0.020 0.000 1.064 296 A HN 0.507 nan 8.150 nan 0.000 0.489 297 Q N 0.535 120.356 119.800 0.035 0.000 2.288 297 Q HA 0.422 4.763 4.340 0.001 0.000 0.258 297 Q C -0.959 175.078 176.000 0.061 0.000 0.957 297 Q CA -0.152 55.679 55.803 0.046 0.000 0.919 297 Q CB 1.331 30.090 28.738 0.035 0.000 1.185 297 Q HN 0.488 nan 8.270 nan 0.000 0.408 298 V N 5.058 125.021 119.914 0.081 0.000 2.417 298 V HA 0.410 4.531 4.120 0.001 0.000 0.291 298 V C -0.201 175.945 176.094 0.086 0.000 1.024 298 V CA -0.593 61.766 62.300 0.099 0.000 0.861 298 V CB 1.462 33.389 31.823 0.174 0.000 0.985 298 V HN 0.635 nan 8.190 nan 0.000 0.436 299 I N 4.609 125.220 120.570 0.069 0.000 2.330 299 I HA 0.446 4.617 4.170 0.001 0.000 0.289 299 I C -0.092 176.051 176.117 0.044 0.000 1.001 299 I CA -0.144 61.191 61.300 0.059 0.000 1.193 299 I CB 1.382 39.418 38.000 0.060 0.000 1.345 299 I HN 0.607 nan 8.210 nan 0.000 0.461 300 Q N 5.748 125.576 119.800 0.046 0.000 2.333 300 Q HA 0.560 4.900 4.340 0.001 0.000 0.265 300 Q C -1.583 174.427 176.000 0.016 0.000 0.989 300 Q CA -0.650 55.166 55.803 0.023 0.000 0.842 300 Q CB 2.272 31.044 28.738 0.057 0.000 1.262 300 Q HN 0.501 nan 8.270 nan 0.000 0.451 301 V N 4.075 123.987 119.914 -0.004 0.000 2.350 301 V HA 0.403 4.524 4.120 0.001 0.000 0.285 301 V C -0.899 175.186 176.094 -0.014 0.000 1.014 301 V CA -0.544 61.752 62.300 -0.007 0.000 0.831 301 V CB 1.553 33.367 31.823 -0.016 0.000 1.000 301 V HN 0.824 nan 8.190 nan 0.000 0.433 302 D N 5.156 125.553 120.400 -0.005 0.000 2.756 302 D HA 0.532 5.173 4.640 0.001 0.000 0.226 302 D C -1.916 174.382 176.300 -0.003 0.000 1.186 302 D CA -1.425 52.570 54.000 -0.009 0.000 0.845 302 D CB 3.505 44.303 40.800 -0.003 0.000 1.610 302 D HN 0.233 nan 8.370 nan 0.000 0.465 303 P HA -0.028 nan 4.420 nan 0.000 0.226 303 P C -0.318 176.984 177.300 0.003 0.000 1.153 303 P CA 0.662 63.760 63.100 -0.003 0.000 0.777 303 P CB 0.310 32.005 31.700 -0.008 0.000 0.794 304 D N -0.258 120.144 120.400 0.003 0.000 2.349 304 D HA 0.365 5.005 4.640 0.001 0.000 0.232 304 D C 1.039 177.353 176.300 0.023 0.000 1.071 304 D CA -0.702 53.305 54.000 0.012 0.000 0.832 304 D CB 1.608 42.409 40.800 0.003 0.000 1.086 304 D HN -0.163 nan 8.370 nan 0.000 0.504 305 A N 3.107 125.943 122.820 0.028 0.000 2.070 305 A HA -0.136 4.185 4.320 0.001 0.000 0.220 305 A C 2.303 179.912 177.584 0.042 0.000 1.159 305 A CA 0.857 52.914 52.037 0.033 0.000 0.656 305 A CB -0.541 18.476 19.000 0.029 0.000 0.800 305 A HN 0.760 nan 8.150 nan 0.000 0.453 306 C N -0.369 118.957 119.300 0.043 0.000 2.422 306 C HA -0.056 4.405 4.460 0.001 0.000 0.279 306 C C 2.485 177.514 174.990 0.065 0.000 1.305 306 C CA 1.109 60.157 59.018 0.050 0.000 1.757 306 C CB -0.882 26.888 27.740 0.050 0.000 1.962 306 C HN 0.581 nan 8.230 nan 0.000 0.499 307 E N 0.271 120.512 120.200 0.068 0.000 2.358 307 E HA 0.039 4.389 4.350 0.001 0.000 0.195 307 E C 0.396 177.086 176.600 0.151 0.000 1.010 307 E CA 0.338 56.799 56.400 0.101 0.000 0.856 307 E CB -0.260 29.480 29.700 0.067 0.000 0.795 307 E HN 0.400 nan 8.360 nan 0.000 0.504 308 L N 1.208 122.499 121.223 0.113 0.000 2.600 308 L HA 0.120 4.461 4.340 0.001 0.000 0.278 308 L C 1.219 178.177 176.870 0.146 0.000 1.139 308 L CA 0.843 55.761 54.840 0.130 0.000 0.933 308 L CB -0.603 41.504 42.059 0.079 0.000 1.266 308 L HN 0.255 nan 8.230 nan 0.000 0.471 309 G N 3.177 112.133 108.800 0.261 0.000 2.246 309 G HA2 -0.384 3.577 3.960 0.001 0.000 0.273 309 G HA3 -0.384 3.577 3.960 0.001 0.000 0.273 309 G C 1.313 176.187 174.900 -0.044 0.000 1.055 309 G CA 0.782 45.941 45.100 0.098 0.000 0.851 309 G HN 0.769 nan 8.290 nan 0.000 0.500 310 R N -0.631 119.911 120.500 0.070 0.000 2.096 310 R HA 0.136 4.477 4.340 0.001 0.000 0.235 310 R C 1.922 178.163 176.300 -0.099 0.000 1.127 310 R CA 2.022 58.134 56.100 0.020 0.000 0.968 310 R CB -0.241 30.119 30.300 0.101 0.000 0.861 310 R HN 0.509 nan 8.270 nan 0.000 0.440 311 L N -0.854 120.202 121.223 -0.279 0.000 2.766 311 L HA 0.358 4.699 4.340 0.001 0.000 0.242 311 L C 0.127 176.750 176.870 -0.412 0.000 1.136 311 L CA -0.269 54.406 54.840 -0.276 0.000 0.933 311 L CB 0.525 42.510 42.059 -0.123 0.000 1.241 311 L HN 0.309 nan 8.230 nan 0.000 0.522 312 Q N -0.429 119.015 119.800 -0.594 0.000 2.503 312 Q HA 0.385 4.726 4.340 0.001 0.000 0.268 312 Q C -0.521 175.279 176.000 -0.333 0.000 0.982 312 Q CA -0.545 54.966 55.803 -0.487 0.000 0.907 312 Q CB 2.110 30.434 28.738 -0.691 0.000 1.467 312 Q HN 0.132 nan 8.270 nan 0.000 0.394 313 G N 2.944 111.639 108.800 -0.175 0.000 2.353 313 G HA2 0.380 4.340 3.960 0.001 0.000 0.239 313 G HA3 0.380 4.340 3.960 0.001 0.000 0.239 313 G C 0.040 174.933 174.900 -0.013 0.000 1.295 313 G CA 0.085 45.136 45.100 -0.082 0.000 0.884 313 G HN 0.603 nan 8.290 nan 0.000 0.537 314 I N -0.532 120.054 120.570 0.027 0.000 3.067 314 I HA 0.805 4.976 4.170 0.001 0.000 0.312 314 I C 0.812 176.961 176.117 0.054 0.000 1.073 314 I CA -1.269 60.079 61.300 0.081 0.000 1.016 314 I CB 2.188 40.271 38.000 0.137 0.000 1.227 314 I HN 0.445 nan 8.210 nan 0.000 0.456 315 A N 2.512 125.369 122.820 0.061 0.000 1.973 315 A HA 0.448 4.769 4.320 0.001 0.000 0.210 315 A C 0.394 178.003 177.584 0.042 0.000 1.200 315 A CA 0.621 52.684 52.037 0.044 0.000 0.707 315 A CB 0.130 19.157 19.000 0.044 0.000 0.862 315 A HN 0.636 nan 8.150 nan 0.000 0.461 316 L N -0.850 120.403 121.223 0.051 0.000 2.516 316 L HA 0.681 5.022 4.340 0.001 0.000 0.267 316 L C -0.480 176.419 176.870 0.048 0.000 0.957 316 L CA -0.132 54.734 54.840 0.044 0.000 0.860 316 L CB 1.566 43.650 42.059 0.041 0.000 1.265 316 L HN 0.108 nan 8.230 nan 0.000 0.403 317 G N 6.025 114.850 108.800 0.042 0.000 2.468 317 G HA2 0.616 4.576 3.960 0.001 0.000 0.315 317 G HA3 0.616 4.576 3.960 0.001 0.000 0.315 317 G C -0.934 173.985 174.900 0.031 0.000 1.203 317 G CA -0.287 44.840 45.100 0.044 0.000 0.962 317 G HN 0.539 nan 8.290 nan 0.000 0.476 318 I N 2.752 123.338 120.570 0.026 0.000 2.355 318 I HA 0.225 4.395 4.170 0.001 0.000 0.288 318 I C 0.004 176.128 176.117 0.012 0.000 0.999 318 I CA -1.052 60.257 61.300 0.015 0.000 1.163 318 I CB 2.192 40.197 38.000 0.008 0.000 1.316 318 I HN 0.238 nan 8.210 nan 0.000 0.454 319 V N 7.356 127.277 119.914 0.011 0.000 2.368 319 V HA 0.881 5.002 4.120 0.001 0.000 0.266 319 V C -0.003 176.092 176.094 0.002 0.000 1.045 319 V CA 0.284 62.589 62.300 0.008 0.000 0.899 319 V CB 0.492 32.322 31.823 0.012 0.000 1.006 319 V HN 0.887 nan 8.190 nan 0.000 0.470 320 A N 4.394 127.213 122.820 -0.002 0.000 2.540 320 A HA 0.571 4.891 4.320 0.001 0.000 0.291 320 A C -1.085 176.494 177.584 -0.008 0.000 1.083 320 A CA -0.494 51.539 52.037 -0.006 0.000 0.650 320 A CB 1.050 20.043 19.000 -0.011 0.000 1.292 320 A HN 0.894 nan 8.150 nan 0.000 0.435 321 D N -0.345 120.050 120.400 -0.007 0.000 2.345 321 D HA 0.383 5.023 4.640 0.001 0.000 0.247 321 D C 1.102 177.392 176.300 -0.016 0.000 1.108 321 D CA 0.140 54.135 54.000 -0.008 0.000 0.894 321 D CB 1.243 42.043 40.800 0.000 0.000 1.203 321 D HN 0.204 nan 8.370 nan 0.000 0.430 322 V N 3.679 123.582 119.914 -0.018 0.000 2.307 322 V HA -0.063 4.058 4.120 0.001 0.000 0.245 322 V C 2.276 178.355 176.094 -0.025 0.000 1.045 322 V CA 2.194 64.479 62.300 -0.024 0.000 1.024 322 V CB -0.858 30.951 31.823 -0.024 0.000 0.651 322 V HN 0.838 nan 8.190 nan 0.000 0.449 323 G N 0.034 108.825 108.800 -0.015 0.000 2.418 323 G HA2 -0.163 3.798 3.960 0.001 0.000 0.217 323 G HA3 -0.163 3.798 3.960 0.001 0.000 0.217 323 G C 1.639 176.535 174.900 -0.007 0.000 1.158 323 G CA 0.947 46.042 45.100 -0.008 0.000 0.771 323 G HN 0.582 nan 8.290 nan 0.000 0.545 324 G N 0.064 108.863 108.800 -0.001 0.000 2.422 324 G HA2 -0.131 3.830 3.960 0.001 0.000 0.218 324 G HA3 -0.131 3.830 3.960 0.001 0.000 0.218 324 G C 1.839 176.718 174.900 -0.036 0.000 1.146 324 G CA 1.748 46.847 45.100 -0.001 0.000 0.769 324 G HN 0.390 nan 8.290 nan 0.000 0.547 325 T N 1.335 115.860 114.554 -0.049 0.000 2.701 325 T HA -0.033 4.317 4.350 0.001 0.000 0.263 325 T C 2.394 177.008 174.700 -0.143 0.000 1.040 325 T CA 0.932 62.981 62.100 -0.085 0.000 1.147 325 T CB -0.183 68.641 68.868 -0.072 0.000 0.865 325 T HN 0.233 nan 8.240 nan 0.000 0.426 326 I N 0.823 121.320 120.570 -0.122 0.000 2.151 326 I HA -0.245 3.926 4.170 0.001 0.000 0.243 326 I C 2.701 178.728 176.117 -0.150 0.000 1.080 326 I CA 1.501 62.710 61.300 -0.152 0.000 1.339 326 I CB -0.349 37.617 38.000 -0.055 0.000 1.039 326 I HN 0.261 nan 8.210 nan 0.000 0.409 327 E N 0.786 120.936 120.200 -0.082 0.000 2.058 327 E HA -0.232 4.118 4.350 0.001 0.000 0.194 327 E C 2.227 178.775 176.600 -0.086 0.000 0.997 327 E CA 1.708 58.074 56.400 -0.057 0.000 0.801 327 E CB -0.197 29.489 29.700 -0.023 0.000 0.746 327 E HN 0.485 nan 8.360 nan 0.000 0.450 328 A N 0.157 122.916 122.820 -0.102 0.000 1.933 328 A HA -0.166 4.154 4.320 0.001 0.000 0.218 328 A C 2.174 179.672 177.584 -0.144 0.000 1.175 328 A CA 1.243 53.221 52.037 -0.099 0.000 0.628 328 A CB -0.651 18.298 19.000 -0.084 0.000 0.814 328 A HN 0.257 nan 8.150 nan 0.000 0.444 329 L N -0.840 120.212 121.223 -0.284 0.000 2.056 329 L HA -0.172 4.168 4.340 0.001 0.000 0.207 329 L C 3.114 179.807 176.870 -0.295 0.000 1.078 329 L CA 1.046 55.586 54.840 -0.500 0.000 0.749 329 L CB -0.599 40.713 42.059 -1.245 0.000 0.901 329 L HN 0.416 nan 8.230 nan 0.000 0.433 330 A N -0.438 122.270 122.820 -0.187 0.000 1.883 330 A HA -0.281 4.039 4.320 0.001 0.000 0.217 330 A C 2.252 179.851 177.584 0.025 0.000 1.186 330 A CA 1.832 53.876 52.037 0.013 0.000 0.624 330 A CB -0.546 18.470 19.000 0.027 0.000 0.822 330 A HN 0.485 nan 8.150 nan 0.000 0.444 331 Q N -0.975 118.820 119.800 -0.008 0.000 2.050 331 Q HA -0.091 4.250 4.340 0.001 0.000 0.202 331 Q C 2.440 178.462 176.000 0.037 0.000 0.980 331 Q CA 1.358 57.167 55.803 0.010 0.000 0.840 331 Q CB -0.363 28.369 28.738 -0.010 0.000 0.898 331 Q HN 0.688 nan 8.270 nan 0.000 0.424 332 A N -0.091 122.750 122.820 0.035 0.000 2.019 332 A HA -0.147 4.173 4.320 0.001 0.000 0.219 332 A C 2.115 179.794 177.584 0.158 0.000 1.164 332 A CA 1.750 53.835 52.037 0.079 0.000 0.644 332 A CB -0.497 18.545 19.000 0.070 0.000 0.805 332 A HN 0.281 nan 8.150 nan 0.000 0.449 333 T N -1.212 113.445 114.554 0.170 0.000 3.054 333 T HA 0.299 4.650 4.350 0.001 0.000 0.259 333 T C 1.927 176.744 174.700 0.195 0.000 1.092 333 T CA 0.931 63.185 62.100 0.257 0.000 1.121 333 T CB -0.224 68.798 68.868 0.257 0.000 0.912 333 T HN 0.499 nan 8.240 nan 0.000 0.489 334 A N 0.744 123.640 122.820 0.126 0.000 1.969 334 A HA -0.006 4.314 4.320 0.001 0.000 0.218 334 A C 2.053 179.698 177.584 0.101 0.000 1.169 334 A CA 0.974 53.069 52.037 0.095 0.000 0.635 334 A CB -0.192 18.845 19.000 0.062 0.000 0.810 334 A HN 0.326 nan 8.150 nan 0.000 0.445 335 Q N -0.210 119.655 119.800 0.107 0.000 2.280 335 Q HA 0.094 4.435 4.340 0.001 0.000 0.202 335 Q C 0.209 176.275 176.000 0.109 0.000 0.903 335 Q CA 0.385 56.241 55.803 0.088 0.000 0.948 335 Q CB 0.261 29.038 28.738 0.065 0.000 1.058 335 Q HN 0.660 nan 8.270 nan 0.000 0.493 336 D N -0.291 120.213 120.400 0.174 0.000 3.013 336 D HA 0.216 4.857 4.640 0.001 0.000 0.256 336 D C 0.500 176.909 176.300 0.180 0.000 1.573 336 D CA 1.401 55.524 54.000 0.204 0.000 1.197 336 D CB 0.263 41.327 40.800 0.440 0.000 1.041 336 D HN -0.068 nan 8.370 nan 0.000 0.304 337 A N -0.353 122.667 122.820 0.332 0.000 2.829 337 A HA -0.136 4.185 4.320 0.001 0.000 0.267 337 A C 0.659 178.341 177.584 0.163 0.000 1.370 337 A CA 1.503 53.704 52.037 0.273 0.000 0.900 337 A CB -2.193 16.894 19.000 0.146 0.000 1.044 337 A HN 0.585 nan 8.150 nan 0.000 0.691 338 A N -1.059 121.771 122.820 0.016 0.000 2.937 338 A HA 0.552 4.873 4.320 0.001 0.000 0.338 338 A C -0.595 176.802 177.584 -0.313 0.000 1.273 338 A CA -0.177 51.791 52.037 -0.114 0.000 0.937 338 A CB -0.253 18.648 19.000 -0.163 0.000 1.133 338 A HN 0.875 nan 8.150 nan 0.000 0.491 339 W N 2.469 123.778 121.300 0.016 0.000 2.538 339 W HA 0.507 5.168 4.660 0.001 0.000 0.322 339 W C -1.926 174.601 176.519 0.012 0.000 1.028 339 W CA -1.925 55.428 57.345 0.014 0.000 1.228 339 W CB 1.094 30.560 29.460 0.009 0.000 1.356 339 W HN 0.436 nan 8.180 nan 0.000 0.452 340 P HA -0.121 nan 4.420 nan 0.000 0.267 340 P C 0.716 178.108 177.300 0.154 0.000 1.201 340 P CA 0.317 63.497 63.100 0.133 0.000 0.775 340 P CB 1.259 33.021 31.700 0.103 0.000 0.854 341 D N 1.624 122.089 120.400 0.109 0.000 2.095 341 D HA -0.210 4.431 4.640 0.001 0.000 0.192 341 D C 0.500 176.865 176.300 0.108 0.000 0.990 341 D CA 1.277 55.334 54.000 0.096 0.000 0.836 341 D CB 0.149 40.994 40.800 0.074 0.000 0.979 341 D HN 0.263 nan 8.370 nan 0.000 0.447 342 R N -1.894 118.685 120.500 0.132 0.000 3.954 342 R HA -0.164 4.176 4.340 0.001 0.000 0.422 342 R C 1.406 177.801 176.300 0.159 0.000 1.091 342 R CA 0.902 57.116 56.100 0.190 0.000 1.168 342 R CB -2.603 27.819 30.300 0.203 0.000 1.752 342 R HN 0.432 nan 8.270 nan 0.000 0.547 343 G N 0.924 109.784 108.800 0.100 0.000 2.421 343 G HA2 -0.290 3.671 3.960 0.001 0.000 0.216 343 G HA3 -0.290 3.671 3.960 0.001 0.000 0.216 343 G C 1.104 176.047 174.900 0.071 0.000 1.171 343 G CA 1.179 46.315 45.100 0.060 0.000 0.775 343 G HN 0.297 nan 8.290 nan 0.000 0.543 344 D N -0.518 119.945 120.400 0.104 0.000 2.092 344 D HA -0.136 4.505 4.640 0.001 0.000 0.193 344 D C 1.874 178.288 176.300 0.190 0.000 0.994 344 D CA 0.821 54.894 54.000 0.122 0.000 0.828 344 D CB -0.525 40.350 40.800 0.124 0.000 0.963 344 D HN 0.556 nan 8.370 nan 0.000 0.450 345 W N 0.971 122.296 121.300 0.041 0.000 2.338 345 W HA -0.264 4.396 4.660 0.001 0.000 0.304 345 W C 2.001 178.564 176.519 0.074 0.000 1.212 345 W CA 0.826 58.211 57.345 0.066 0.000 1.264 345 W CB -0.361 29.143 29.460 0.074 0.000 1.142 345 W HN 0.014 nan 8.180 nan 0.000 0.512 346 C N 0.806 120.052 119.300 -0.090 0.000 2.429 346 C HA -0.116 4.345 4.460 0.001 0.000 0.277 346 C C 3.192 178.068 174.990 -0.190 0.000 1.262 346 C CA 1.714 60.589 59.018 -0.238 0.000 1.733 346 C CB -1.562 26.107 27.740 -0.118 0.000 2.010 346 C HN 0.506 nan 8.230 nan 0.000 0.483 347 A N 0.373 123.140 122.820 -0.089 0.000 1.933 347 A HA -0.209 4.112 4.320 0.001 0.000 0.218 347 A C 2.060 179.590 177.584 -0.089 0.000 1.175 347 A CA 2.217 54.211 52.037 -0.071 0.000 0.628 347 A CB -0.454 18.532 19.000 -0.025 0.000 0.814 347 A HN 0.552 nan 8.150 nan 0.000 0.444 348 K N -0.104 120.245 120.400 -0.085 0.000 2.025 348 K HA -0.054 4.267 4.320 0.001 0.000 0.207 348 K C 1.714 178.187 176.600 -0.210 0.000 1.049 348 K CA 1.743 57.973 56.287 -0.094 0.000 0.933 348 K CB -0.697 31.834 32.500 0.052 0.000 0.714 348 K HN 0.165 nan 8.250 nan 0.000 0.438 349 V N 0.583 120.302 119.914 -0.326 0.000 2.231 349 V HA -0.321 3.800 4.120 0.001 0.000 0.248 349 V C 2.190 178.242 176.094 -0.070 0.000 1.054 349 V CA 2.467 64.673 62.300 -0.158 0.000 1.015 349 V CB -0.907 30.718 31.823 -0.329 0.000 0.638 349 V HN 0.490 nan 8.190 nan 0.000 0.444 350 T N -0.344 114.130 114.554 -0.135 0.000 2.653 350 T HA -0.249 4.102 4.350 0.001 0.000 0.268 350 T C 1.626 176.285 174.700 -0.069 0.000 1.035 350 T CA 2.061 64.100 62.100 -0.101 0.000 1.154 350 T CB -0.452 68.349 68.868 -0.111 0.000 0.862 350 T HN 0.526 nan 8.240 nan 0.000 0.441 351 D N 0.613 120.964 120.400 -0.082 0.000 2.144 351 D HA 0.016 4.657 4.640 0.001 0.000 0.200 351 D C 2.119 178.378 176.300 -0.068 0.000 0.978 351 D CA 0.618 54.578 54.000 -0.065 0.000 0.833 351 D CB -0.366 40.396 40.800 -0.064 0.000 0.961 351 D HN 0.336 nan 8.370 nan 0.000 0.470 352 L N 0.502 121.649 121.223 -0.127 0.000 2.027 352 L HA -0.107 4.233 4.340 0.001 0.000 0.206 352 L C 2.522 179.395 176.870 0.006 0.000 1.074 352 L CA 1.127 55.876 54.840 -0.151 0.000 0.745 352 L CB -0.475 41.286 42.059 -0.497 0.000 0.898 352 L HN -0.023 nan 8.230 nan 0.000 0.433 353 A N -0.205 122.661 122.820 0.076 0.000 1.883 353 A HA -0.323 3.998 4.320 0.001 0.000 0.217 353 A C 2.212 179.861 177.584 0.108 0.000 1.186 353 A CA 2.152 54.266 52.037 0.129 0.000 0.624 353 A CB -0.665 18.398 19.000 0.105 0.000 0.822 353 A HN 0.433 nan 8.150 nan 0.000 0.444 354 Q N 0.021 119.852 119.800 0.052 0.000 2.135 354 Q HA -0.199 4.142 4.340 0.001 0.000 0.204 354 Q C 1.891 177.963 176.000 0.119 0.000 0.981 354 Q CA 2.382 58.221 55.803 0.060 0.000 0.856 354 Q CB -0.425 28.316 28.738 0.004 0.000 0.902 354 Q HN 0.762 nan 8.270 nan 0.000 0.425 355 E N -0.465 119.779 120.200 0.074 0.000 2.072 355 E HA -0.195 4.156 4.350 0.001 0.000 0.191 355 E C 2.060 178.709 176.600 0.081 0.000 0.985 355 E CA 0.680 57.117 56.400 0.062 0.000 0.801 355 E CB -0.101 29.610 29.700 0.017 0.000 0.750 355 E HN 0.338 nan 8.360 nan 0.000 0.452 356 R N -0.305 120.256 120.500 0.102 0.000 2.073 356 R HA -0.212 4.129 4.340 0.001 0.000 0.234 356 R C 2.279 178.645 176.300 0.110 0.000 1.134 356 R CA 1.680 57.839 56.100 0.099 0.000 0.952 356 R CB -0.546 29.833 30.300 0.131 0.000 0.850 356 R HN 0.260 nan 8.270 nan 0.000 0.433 357 Y N 0.702 121.043 120.300 0.067 0.000 2.081 357 Y HA -0.288 4.263 4.550 0.001 0.000 0.280 357 Y C 2.235 178.188 175.900 0.087 0.000 1.163 357 Y CA 2.296 60.467 58.100 0.119 0.000 1.135 357 Y CB -0.476 38.074 38.460 0.149 0.000 0.970 357 Y HN 0.245 nan 8.280 nan 0.000 0.498 358 A N -1.373 121.583 122.820 0.227 0.000 1.969 358 A HA -0.173 4.147 4.320 0.001 0.000 0.218 358 A C 2.436 180.014 177.584 -0.011 0.000 1.169 358 A CA 1.722 53.829 52.037 0.118 0.000 0.635 358 A CB -1.255 17.826 19.000 0.135 0.000 0.810 358 A HN 0.521 nan 8.150 nan 0.000 0.445 359 S N -0.211 115.476 115.700 -0.022 0.000 2.348 359 S HA -0.148 4.323 4.470 0.001 0.000 0.221 359 S C 1.919 176.427 174.600 -0.154 0.000 1.033 359 S CA 1.602 59.767 58.200 -0.059 0.000 1.010 359 S CB -0.426 62.756 63.200 -0.030 0.000 0.891 359 S HN 0.377 nan 8.310 nan 0.000 0.442 360 I N 2.476 122.888 120.570 -0.263 0.000 2.163 360 I HA -0.146 4.024 4.170 0.001 0.000 0.243 360 I C 2.863 178.589 176.117 -0.653 0.000 1.085 360 I CA 1.460 62.453 61.300 -0.511 0.000 1.347 360 I CB -2.077 35.433 38.000 -0.817 0.000 1.044 360 I HN 0.368 nan 8.210 nan 0.000 0.408 361 A N 0.768 123.263 122.820 -0.542 0.000 1.978 361 A HA -0.103 4.218 4.320 0.001 0.000 0.220 361 A C 2.448 179.969 177.584 -0.106 0.000 1.170 361 A CA 1.895 53.820 52.037 -0.186 0.000 0.636 361 A CB -0.797 18.224 19.000 0.035 0.000 0.810 361 A HN 0.443 nan 8.150 nan 0.000 0.448 362 A N -1.063 121.690 122.820 -0.112 0.000 2.172 362 A HA 0.053 4.374 4.320 0.001 0.000 0.216 362 A C 1.067 178.601 177.584 -0.083 0.000 1.154 362 A CA 1.306 53.306 52.037 -0.062 0.000 0.701 362 A CB -0.137 18.837 19.000 -0.042 0.000 0.789 362 A HN 0.402 nan 8.150 nan 0.000 0.465 363 K N 0.480 120.787 120.400 -0.156 0.000 3.163 363 K HA 0.433 4.753 4.320 0.001 0.000 0.186 363 K C -1.052 175.373 176.600 -0.291 0.000 1.111 363 K CA 0.171 56.372 56.287 -0.144 0.000 0.918 363 K CB 1.186 33.636 32.500 -0.082 0.000 1.059 363 K HN 0.115 nan 8.250 nan 0.000 0.558 364 S N -0.287 115.195 115.700 -0.363 0.000 2.540 364 S HA 0.645 5.116 4.470 0.001 0.000 0.275 364 S C -0.837 173.639 174.600 -0.206 0.000 1.123 364 S CA -0.806 56.900 58.200 -0.824 0.000 0.907 364 S CB 1.989 64.398 63.200 -1.318 0.000 1.081 364 S HN 0.143 nan 8.310 nan 0.000 0.476 365 S N 0.868 116.549 115.700 -0.032 0.000 2.661 365 S HA 0.741 5.212 4.470 0.001 0.000 0.285 365 S C -0.993 173.764 174.600 0.262 0.000 1.138 365 S CA -0.610 57.706 58.200 0.195 0.000 0.855 365 S CB 1.961 65.236 63.200 0.125 0.000 1.136 365 S HN 0.538 nan 8.310 nan 0.000 0.484 366 S N 1.374 117.179 115.700 0.175 0.000 2.389 366 S HA 0.360 4.831 4.470 0.001 0.000 0.201 366 S C -1.483 173.175 174.600 0.097 0.000 1.422 366 S CA -0.417 57.857 58.200 0.123 0.000 1.216 366 S CB 0.131 63.387 63.200 0.093 0.000 1.130 366 S HN 0.552 nan 8.310 nan 0.000 0.465 367 E N 2.310 122.571 120.200 0.103 0.000 2.103 367 E HA 0.280 4.631 4.350 0.001 0.000 0.254 367 E C -0.078 176.624 176.600 0.169 0.000 0.940 367 E CA -0.244 56.220 56.400 0.107 0.000 0.771 367 E CB 0.018 29.767 29.700 0.082 0.000 1.153 367 E HN 0.688 nan 8.360 nan 0.000 0.428 368 H N 1.582 120.669 119.070 0.029 0.000 2.626 368 H HA -0.280 4.277 4.556 0.001 0.000 0.317 368 H C -0.976 174.367 175.328 0.026 0.000 1.140 368 H CA 0.561 56.624 56.048 0.025 0.000 1.134 368 H CB -0.639 29.136 29.762 0.021 0.000 1.486 368 H HN 0.501 nan 8.280 nan 0.000 0.417 369 A N 0.587 123.417 122.820 0.016 0.000 2.569 369 A HA 0.411 4.732 4.320 0.001 0.000 0.292 369 A C -1.370 176.213 177.584 -0.001 0.000 1.032 369 A CA -0.518 51.482 52.037 -0.061 0.000 0.669 369 A CB 0.889 19.830 19.000 -0.097 0.000 1.290 369 A HN 0.207 nan 8.150 nan 0.000 0.422 370 L N 1.488 122.695 121.223 -0.027 0.000 2.313 370 L HA 0.495 4.836 4.340 0.001 0.000 0.282 370 L C 0.242 177.106 176.870 -0.011 0.000 1.092 370 L CA 0.322 55.174 54.840 0.020 0.000 0.831 370 L CB -0.072 41.974 42.059 -0.020 0.000 1.159 370 L HN 0.781 nan 8.230 nan 0.000 0.442 371 H N 6.881 125.922 119.070 -0.048 0.000 2.803 371 H HA 0.198 4.755 4.556 0.001 0.000 0.330 371 H C -1.763 173.366 175.328 -0.332 0.000 1.057 371 H CA -0.826 55.079 56.048 -0.238 0.000 1.458 371 H CB 1.126 30.664 29.762 -0.374 0.000 1.470 371 H HN 0.560 nan 8.280 nan 0.000 0.560 372 P HA -0.217 nan 4.420 nan 0.000 0.217 372 P C 1.079 178.166 177.300 -0.355 0.000 1.148 372 P CA 1.233 64.000 63.100 -0.555 0.000 0.828 372 P CB -0.028 31.054 31.700 -1.031 0.000 0.783 373 F N -0.422 119.216 119.950 -0.520 0.000 2.113 373 F HA -0.235 4.292 4.527 0.001 0.000 0.297 373 F C 2.432 178.170 175.800 -0.104 0.000 1.103 373 F CA 1.534 59.369 58.000 -0.274 0.000 1.248 373 F CB -0.428 38.332 39.000 -0.400 0.000 0.999 373 F HN -0.036 nan 8.300 nan 0.000 0.475 374 H N 0.266 119.297 119.070 -0.065 0.000 2.352 374 H HA -0.131 4.426 4.556 0.001 0.000 0.299 374 H C 2.381 177.669 175.328 -0.067 0.000 1.097 374 H CA 1.239 57.219 56.048 -0.114 0.000 1.311 374 H CB -1.171 28.581 29.762 -0.016 0.000 1.377 374 H HN 0.420 nan 8.280 nan 0.000 0.504 375 A N 0.470 123.350 122.820 0.099 0.000 1.902 375 A HA -0.170 4.150 4.320 0.001 0.000 0.217 375 A C 2.727 180.425 177.584 0.189 0.000 1.181 375 A CA 1.917 54.053 52.037 0.165 0.000 0.623 375 A CB -0.638 18.365 19.000 0.006 0.000 0.818 375 A HN 0.382 nan 8.150 nan 0.000 0.443 376 S N -0.405 115.324 115.700 0.049 0.000 2.382 376 S HA -0.199 4.272 4.470 0.001 0.000 0.228 376 S C 2.075 176.664 174.600 -0.019 0.000 1.027 376 S CA 1.508 59.736 58.200 0.047 0.000 0.991 376 S CB -0.319 62.912 63.200 0.052 0.000 0.823 376 S HN 0.700 nan 8.310 nan 0.000 0.469 377 Q N 0.398 120.113 119.800 -0.141 0.000 2.124 377 Q HA -0.074 4.266 4.340 0.001 0.000 0.202 377 Q C 2.221 178.188 176.000 -0.055 0.000 0.977 377 Q CA 1.275 57.000 55.803 -0.130 0.000 0.850 377 Q CB -0.331 28.291 28.738 -0.192 0.000 0.901 377 Q HN 0.353 nan 8.270 nan 0.000 0.429 378 V N 0.971 120.871 119.914 -0.024 0.000 2.490 378 V HA -0.258 3.862 4.120 0.001 0.000 0.250 378 V C 2.030 178.083 176.094 -0.068 0.000 1.061 378 V CA 1.504 63.751 62.300 -0.089 0.000 1.064 378 V CB -0.427 31.298 31.823 -0.164 0.000 0.670 378 V HN 0.375 nan 8.190 nan 0.000 0.461 379 I N 0.221 120.791 120.570 0.001 0.000 2.286 379 I HA -0.148 4.023 4.170 0.001 0.000 0.245 379 I C 2.721 178.880 176.117 0.070 0.000 1.104 379 I CA 1.190 62.518 61.300 0.047 0.000 1.397 379 I CB -0.716 37.344 38.000 0.099 0.000 1.072 379 I HN 0.282 nan 8.210 nan 0.000 0.417 380 A N 2.352 125.186 122.820 0.023 0.000 1.927 380 A HA -0.273 4.047 4.320 0.001 0.000 0.220 380 A C 2.219 179.773 177.584 -0.050 0.000 1.185 380 A CA 2.355 54.386 52.037 -0.010 0.000 0.639 380 A CB -0.770 18.219 19.000 -0.017 0.000 0.820 380 A HN 0.600 nan 8.150 nan 0.000 0.451 381 K N -1.506 118.831 120.400 -0.106 0.000 2.574 381 K HA -0.102 4.218 4.320 0.001 0.000 0.193 381 K C 0.835 177.225 176.600 -0.350 0.000 1.035 381 K CA 1.440 57.588 56.287 -0.230 0.000 0.982 381 K CB -0.309 32.018 32.500 -0.288 0.000 0.795 381 K HN 0.693 nan 8.250 nan 0.000 0.491 382 H N 0.173 119.186 119.070 -0.094 0.000 2.755 382 H HA 0.179 4.736 4.556 0.001 0.000 0.273 382 H C -0.294 174.996 175.328 -0.064 0.000 1.055 382 H CA -0.254 55.742 56.048 -0.087 0.000 1.191 382 H CB 0.923 30.622 29.762 -0.106 0.000 1.536 382 H HN -0.061 nan 8.280 nan 0.000 0.529 383 V N 4.359 124.295 119.914 0.036 0.000 2.408 383 V HA 0.117 4.237 4.120 0.001 0.000 0.267 383 V C 0.056 176.139 176.094 -0.019 0.000 1.047 383 V CA -0.118 62.189 62.300 0.011 0.000 0.937 383 V CB 0.938 32.760 31.823 -0.000 0.000 0.999 383 V HN 0.461 nan 8.190 nan 0.000 0.472 384 D N 4.028 124.420 120.400 -0.012 0.000 2.825 384 D HA 0.468 5.109 4.640 0.001 0.000 0.327 384 D C 0.808 177.099 176.300 -0.015 0.000 1.277 384 D CA -0.083 53.902 54.000 -0.024 0.000 0.950 384 D CB 1.264 42.046 40.800 -0.030 0.000 1.438 384 D HN 0.359 nan 8.370 nan 0.000 0.526 385 A N -0.633 122.175 122.820 -0.019 0.000 2.131 385 A HA 0.177 4.497 4.320 0.001 0.000 0.220 385 A C 1.758 179.337 177.584 -0.009 0.000 1.158 385 A CA 1.729 53.757 52.037 -0.014 0.000 0.665 385 A CB -1.316 17.673 19.000 -0.018 0.000 0.795 385 A HN 0.656 nan 8.150 nan 0.000 0.460 386 G N -1.240 107.556 108.800 -0.007 0.000 3.314 386 G HA2 0.413 4.374 3.960 0.001 0.000 0.238 386 G HA3 0.413 4.374 3.960 0.001 0.000 0.238 386 G C -0.144 174.757 174.900 0.001 0.000 1.184 386 G CA 0.342 45.441 45.100 -0.003 0.000 0.806 386 G HN 0.248 nan 8.290 nan 0.000 0.536 387 V N -0.142 119.774 119.914 0.004 0.000 2.760 387 V HA 0.449 4.570 4.120 0.001 0.000 0.309 387 V C -0.536 175.567 176.094 0.015 0.000 1.077 387 V CA -0.659 61.647 62.300 0.010 0.000 0.910 387 V CB 2.242 34.076 31.823 0.017 0.000 1.008 387 V HN 0.032 nan 8.190 nan 0.000 0.424 388 T N 3.871 118.432 114.554 0.011 0.000 2.771 388 T HA 0.584 4.934 4.350 0.001 0.000 0.281 388 T C -0.438 174.277 174.700 0.025 0.000 0.982 388 T CA -0.277 61.833 62.100 0.017 0.000 0.978 388 T CB 1.476 70.336 68.868 -0.013 0.000 0.930 388 T HN 0.363 nan 8.240 nan 0.000 0.447 389 V N 4.633 124.594 119.914 0.079 0.000 2.398 389 V HA 0.490 4.610 4.120 0.001 0.000 0.286 389 V C -0.162 175.929 176.094 -0.006 0.000 1.026 389 V CA -0.652 61.708 62.300 0.100 0.000 0.868 389 V CB 1.717 33.700 31.823 0.268 0.000 0.982 389 V HN 0.667 nan 8.190 nan 0.000 0.443 390 V N 3.968 123.824 119.914 -0.096 0.000 2.495 390 V HA 0.839 4.959 4.120 0.001 0.000 0.298 390 V C 0.220 176.164 176.094 -0.250 0.000 1.031 390 V CA -0.525 61.633 62.300 -0.236 0.000 0.871 390 V CB 1.677 33.374 31.823 -0.210 0.000 0.988 390 V HN 0.975 nan 8.190 nan 0.000 0.432 391 A N 3.241 125.814 122.820 -0.411 0.000 2.343 391 A HA 0.821 5.142 4.320 0.001 0.000 0.316 391 A C -0.897 176.396 177.584 -0.485 0.000 1.104 391 A CA -0.403 51.434 52.037 -0.334 0.000 0.768 391 A CB 1.433 20.273 19.000 -0.265 0.000 1.213 391 A HN 0.751 nan 8.150 nan 0.000 0.456 392 D N 0.665 120.896 120.400 -0.282 0.000 2.566 392 D HA 0.603 5.244 4.640 0.001 0.000 0.254 392 D C 0.483 176.856 176.300 0.122 0.000 1.090 392 D CA 0.767 54.612 54.000 -0.258 0.000 1.034 392 D CB 1.862 42.562 40.800 -0.167 0.000 1.434 392 D HN 1.512 nan 8.370 nan 0.000 0.509 393 G N 0.768 109.777 108.800 0.349 0.000 2.326 393 G HA2 0.206 4.167 3.960 0.001 0.000 0.286 393 G HA3 0.206 4.167 3.960 0.001 0.000 0.286 393 G C 0.891 175.995 174.900 0.340 0.000 1.096 393 G CA 0.902 46.194 45.100 0.319 0.000 1.003 393 G HN 1.385 nan 8.290 nan 0.000 0.503 394 A N -0.588 122.525 122.820 0.487 0.000 5.195 394 A HA -0.372 3.949 4.320 0.001 0.000 0.339 394 A C 2.191 179.673 177.584 -0.170 0.000 1.740 394 A CA 2.675 54.800 52.037 0.147 0.000 0.704 394 A CB -1.474 17.593 19.000 0.111 0.000 1.441 394 A HN 1.459 nan 8.150 nan 0.000 0.397 395 L N -0.737 120.429 121.223 -0.096 0.000 2.051 395 L HA -0.270 4.071 4.340 0.001 0.000 0.214 395 L C 2.839 179.735 176.870 0.044 0.000 1.076 395 L CA 2.583 57.368 54.840 -0.092 0.000 0.758 395 L CB -1.083 40.960 42.059 -0.027 0.000 0.890 395 L HN 0.891 nan 8.230 nan 0.000 0.433 396 T N -0.607 114.005 114.554 0.096 0.000 2.624 396 T HA -0.292 4.059 4.350 0.001 0.000 0.268 396 T C 1.586 176.392 174.700 0.177 0.000 1.041 396 T CA 2.395 64.587 62.100 0.153 0.000 1.159 396 T CB -0.549 68.390 68.868 0.119 0.000 0.863 396 T HN 0.611 nan 8.240 nan 0.000 0.434 397 Y N 0.795 121.155 120.300 0.100 0.000 2.475 397 Y HA 0.347 4.897 4.550 0.001 0.000 0.289 397 Y C 1.873 177.834 175.900 0.101 0.000 1.121 397 Y CA 0.130 58.274 58.100 0.073 0.000 1.257 397 Y CB -0.787 37.644 38.460 -0.048 0.000 1.026 397 Y HN 0.116 nan 8.280 nan 0.000 0.555 398 L N -1.148 119.739 121.223 -0.560 0.000 2.093 398 L HA -0.128 4.212 4.340 0.001 0.000 0.208 398 L C 2.097 178.882 176.870 -0.142 0.000 1.085 398 L CA 1.475 56.082 54.840 -0.390 0.000 0.755 398 L CB -0.601 41.132 42.059 -0.543 0.000 0.904 398 L HN 0.328 nan 8.230 nan 0.000 0.435 399 W N -0.306 120.993 121.300 -0.002 0.000 2.378 399 W HA -0.191 4.470 4.660 0.001 0.000 0.313 399 W C 2.408 179.023 176.519 0.160 0.000 1.197 399 W CA 0.089 57.496 57.345 0.104 0.000 1.304 399 W CB -0.349 29.168 29.460 0.094 0.000 1.148 399 W HN 0.017 nan 8.180 nan 0.000 0.494 400 L N 1.244 122.697 121.223 0.383 0.000 2.051 400 L HA -0.308 4.033 4.340 0.001 0.000 0.214 400 L C 2.682 179.708 176.870 0.261 0.000 1.076 400 L CA 2.594 57.608 54.840 0.290 0.000 0.758 400 L CB -1.293 40.929 42.059 0.272 0.000 0.890 400 L HN 0.052 nan 8.230 nan 0.000 0.433 401 S N -1.358 114.511 115.700 0.283 0.000 2.420 401 S HA -0.216 4.255 4.470 0.001 0.000 0.237 401 S C 1.713 176.452 174.600 0.232 0.000 1.023 401 S CA 1.325 59.685 58.200 0.266 0.000 0.991 401 S CB -0.714 62.716 63.200 0.384 0.000 0.792 401 S HN 0.611 nan 8.310 nan 0.000 0.488 402 E N 1.293 121.673 120.200 0.299 0.000 2.347 402 E HA 0.068 4.418 4.350 0.001 0.000 0.196 402 E C 1.287 178.151 176.600 0.440 0.000 1.008 402 E CA 0.733 57.354 56.400 0.368 0.000 0.852 402 E CB -0.300 29.679 29.700 0.465 0.000 0.783 402 E HN 0.762 nan 8.360 nan 0.000 0.505 406 R N 2.222 122.656 120.500 -0.110 0.000 2.297 406 R HA 0.227 4.568 4.340 0.001 0.000 0.197 406 R C 0.662 176.881 176.300 -0.135 0.000 0.943 406 R CA 0.548 56.556 56.100 -0.154 0.000 1.038 406 R CB -0.416 29.732 30.300 -0.254 0.000 0.957 406 R HN 0.397 nan 8.270 nan 0.000 0.484 407 V N -1.356 118.488 119.914 -0.116 0.000 3.193 407 V HA 0.486 4.606 4.120 0.001 0.000 0.320 407 V C -0.440 175.596 176.094 -0.096 0.000 1.112 407 V CA -1.280 60.959 62.300 -0.101 0.000 1.026 407 V CB 1.719 33.490 31.823 -0.087 0.000 1.128 407 V HN 0.012 nan 8.190 nan 0.000 0.452 408 K N 2.188 122.542 120.400 -0.077 0.000 2.679 408 K HA 0.427 4.748 4.320 0.001 0.000 0.188 408 K C -2.828 173.746 176.600 -0.043 0.000 1.055 408 K CA -1.431 54.818 56.287 -0.064 0.000 1.006 408 K CB 1.232 33.695 32.500 -0.061 0.000 1.317 408 K HN 0.582 nan 8.250 nan 0.000 0.584 409 P HA 0.015 nan 4.420 nan 0.000 0.275 409 P C 0.702 178.006 177.300 0.008 0.000 1.228 409 P CA -0.029 63.069 63.100 -0.003 0.000 0.786 409 P CB 1.405 33.119 31.700 0.024 0.000 0.927 410 G N 2.056 110.861 108.800 0.009 0.000 2.422 410 G HA2 0.080 4.041 3.960 0.001 0.000 0.218 410 G HA3 0.080 4.041 3.960 0.001 0.000 0.218 410 G C 0.675 175.583 174.900 0.014 0.000 1.146 410 G CA 0.682 45.785 45.100 0.004 0.000 0.769 410 G HN 0.797 nan 8.290 nan 0.000 0.547 411 G N -1.537 107.286 108.800 0.037 0.000 2.706 411 G HA2 0.485 4.446 3.960 0.001 0.000 0.297 411 G HA3 0.485 4.446 3.960 0.001 0.000 0.297 411 G C -2.061 172.931 174.900 0.154 0.000 1.403 411 G CA -0.725 44.410 45.100 0.057 0.000 0.954 411 G HN 0.122 nan 8.290 nan 0.000 0.500 412 F N 2.608 122.536 119.950 -0.036 0.000 2.553 412 F HA 0.601 5.129 4.527 0.001 0.000 0.335 412 F C -1.005 174.758 175.800 -0.062 0.000 1.148 412 F CA -1.383 56.593 58.000 -0.041 0.000 0.963 412 F CB 1.411 40.407 39.000 -0.006 0.000 1.217 412 F HN 0.281 nan 8.300 nan 0.000 0.441 413 L N 7.267 128.168 121.223 -0.536 0.000 2.324 413 L HA 0.459 4.799 4.340 0.001 0.000 0.274 413 L C -0.356 176.061 176.870 -0.756 0.000 1.012 413 L CA -0.533 54.000 54.840 -0.512 0.000 0.859 413 L CB 0.985 42.863 42.059 -0.302 0.000 1.224 413 L HN 0.632 nan 8.230 nan 0.000 0.429 414 C N 1.787 120.585 119.300 -0.836 0.000 2.710 414 C HA 0.536 4.997 4.460 0.001 0.000 0.367 414 C C 0.568 175.170 174.990 -0.647 0.000 1.315 414 C CA -0.471 57.984 59.018 -0.938 0.000 1.764 414 C CB 1.558 28.550 27.740 -1.246 0.000 2.182 414 C HN 0.667 nan 8.230 nan 0.000 0.491 415 H N 0.444 119.129 119.070 -0.641 0.000 2.948 415 H HA 0.235 4.792 4.556 0.001 0.000 0.351 415 H C 0.734 175.939 175.328 -0.204 0.000 1.079 415 H CA 1.353 57.155 56.048 -0.409 0.000 1.407 415 H CB 0.283 29.772 29.762 -0.455 0.000 1.373 415 H HN 0.883 nan 8.280 nan 0.000 0.605 416 G N 1.090 109.901 108.800 0.018 0.000 2.849 416 G HA2 0.041 4.001 3.960 0.001 0.000 0.174 416 G HA3 0.041 4.001 3.960 0.001 0.000 0.174 416 G C 0.256 175.239 174.900 0.138 0.000 1.370 416 G CA -0.334 44.763 45.100 -0.005 0.000 1.040 416 G HN 0.523 nan 8.290 nan 0.000 0.582 417 Y N -0.182 120.134 120.300 0.027 0.000 2.274 417 Y HA 0.030 4.580 4.550 0.001 0.000 0.290 417 Y C 2.694 178.603 175.900 0.016 0.000 1.145 417 Y CA 0.145 58.261 58.100 0.026 0.000 1.203 417 Y CB -0.696 37.773 38.460 0.015 0.000 0.984 417 Y HN 0.115 nan 8.280 nan 0.000 0.533 418 L N -0.483 120.835 121.223 0.159 0.000 2.083 418 L HA -0.128 4.212 4.340 0.001 0.000 0.209 418 L C 1.579 178.441 176.870 -0.012 0.000 1.083 418 L CA 1.685 56.571 54.840 0.077 0.000 0.752 418 L CB -0.946 41.147 42.059 0.057 0.000 0.899 418 L HN 0.506 nan 8.230 nan 0.000 0.433 419 G N 0.291 109.048 108.800 -0.072 0.000 2.305 419 G HA2 -0.304 3.657 3.960 0.001 0.000 0.287 419 G HA3 -0.304 3.657 3.960 0.001 0.000 0.287 419 G C 0.361 175.017 174.900 -0.407 0.000 1.036 419 G CA 0.750 45.683 45.100 -0.278 0.000 0.887 419 G HN 0.451 nan 8.290 nan 0.000 0.505 423 V N 1.963 121.680 119.914 -0.328 0.000 2.546 423 V HA -0.067 4.053 4.120 0.001 0.000 0.254 423 V C 2.911 178.743 176.094 -0.437 0.000 1.076 423 V CA 2.848 64.774 62.300 -0.623 0.000 1.087 423 V CB -0.628 30.869 31.823 -0.545 0.000 0.674 423 V HN 0.446 nan 8.190 nan 0.000 0.470 424 G N -1.143 107.500 108.800 -0.261 0.000 2.418 424 G HA2 -0.285 3.676 3.960 0.001 0.000 0.217 424 G HA3 -0.285 3.676 3.960 0.001 0.000 0.217 424 G C 1.472 176.306 174.900 -0.110 0.000 1.158 424 G CA 0.788 45.748 45.100 -0.232 0.000 0.771 424 G HN 0.434 nan 8.290 nan 0.000 0.545 425 F N 2.375 122.220 119.950 -0.176 0.000 2.046 425 F HA -0.025 4.502 4.527 0.001 0.000 0.297 425 F C 2.743 178.460 175.800 -0.139 0.000 1.123 425 F CA 1.343 59.245 58.000 -0.162 0.000 1.199 425 F CB -0.864 38.043 39.000 -0.155 0.000 0.972 425 F HN 0.142 nan 8.300 nan 0.000 0.474 426 G N -1.303 107.600 108.800 0.171 0.000 2.469 426 G HA2 -0.283 3.678 3.960 0.001 0.000 0.219 426 G HA3 -0.283 3.678 3.960 0.001 0.000 0.219 426 G C 1.675 176.585 174.900 0.017 0.000 1.150 426 G CA 1.547 46.698 45.100 0.084 0.000 0.763 426 G HN 0.397 nan 8.290 nan 0.000 0.561 427 T N 1.583 116.124 114.554 -0.021 0.000 2.720 427 T HA -0.032 4.319 4.350 0.001 0.000 0.268 427 T C 2.781 177.421 174.700 -0.099 0.000 1.037 427 T CA 1.672 63.717 62.100 -0.091 0.000 1.144 427 T CB -0.360 68.411 68.868 -0.161 0.000 0.864 427 T HN 0.397 nan 8.240 nan 0.000 0.444 428 A N 0.798 123.571 122.820 -0.079 0.000 1.929 428 A HA 0.138 4.458 4.320 0.001 0.000 0.216 428 A C 2.269 179.837 177.584 -0.027 0.000 1.176 428 A CA 0.934 52.925 52.037 -0.078 0.000 0.628 428 A CB -0.730 18.197 19.000 -0.122 0.000 0.816 428 A HN 0.491 nan 8.150 nan 0.000 0.444 429 L N -0.507 120.728 121.223 0.021 0.000 2.056 429 L HA -0.053 4.287 4.340 0.001 0.000 0.207 429 L C 2.438 179.310 176.870 0.004 0.000 1.078 429 L CA 1.593 56.462 54.840 0.049 0.000 0.749 429 L CB -0.515 41.594 42.059 0.082 0.000 0.901 429 L HN 0.380 nan 8.230 nan 0.000 0.433 430 G N -0.925 107.788 108.800 -0.145 0.000 2.421 430 G HA2 -0.274 3.687 3.960 0.001 0.000 0.216 430 G HA3 -0.274 3.687 3.960 0.001 0.000 0.216 430 G C 1.636 176.515 174.900 -0.034 0.000 1.171 430 G CA 0.683 45.602 45.100 -0.303 0.000 0.775 430 G HN 0.567 nan 8.290 nan 0.000 0.543 431 A N 0.320 123.104 122.820 -0.060 0.000 1.908 431 A HA -0.155 4.166 4.320 0.001 0.000 0.218 431 A C 2.324 179.900 177.584 -0.012 0.000 1.181 431 A CA 2.370 54.378 52.037 -0.049 0.000 0.627 431 A CB -0.524 18.432 19.000 -0.073 0.000 0.818 431 A HN 0.416 nan 8.150 nan 0.000 0.445 432 Q N -0.083 119.724 119.800 0.012 0.000 2.124 432 Q HA -0.107 4.234 4.340 0.001 0.000 0.202 432 Q C 1.839 177.873 176.000 0.056 0.000 0.977 432 Q CA 2.036 57.858 55.803 0.031 0.000 0.850 432 Q CB -0.616 28.148 28.738 0.044 0.000 0.901 432 Q HN 0.374 nan 8.270 nan 0.000 0.429 433 V N 0.550 120.530 119.914 0.111 0.000 2.261 433 V HA -0.282 3.839 4.120 0.001 0.000 0.246 433 V C 2.285 178.418 176.094 0.065 0.000 1.047 433 V CA 1.902 64.276 62.300 0.124 0.000 1.015 433 V CB -1.386 30.597 31.823 0.267 0.000 0.642 433 V HN 0.524 nan 8.190 nan 0.000 0.446 434 A N -0.283 122.576 122.820 0.065 0.000 1.978 434 A HA -0.261 4.059 4.320 0.001 0.000 0.220 434 A C 1.901 179.425 177.584 -0.100 0.000 1.170 434 A CA 2.065 53.990 52.037 -0.187 0.000 0.636 434 A CB -0.584 18.132 19.000 -0.473 0.000 0.810 434 A HN 0.566 nan 8.150 nan 0.000 0.448 435 D N -0.700 119.672 120.400 -0.046 0.000 2.317 435 D HA -0.016 4.625 4.640 0.001 0.000 0.211 435 D C 1.570 177.869 176.300 -0.002 0.000 0.966 435 D CA 0.314 54.298 54.000 -0.028 0.000 0.876 435 D CB -0.055 40.735 40.800 -0.016 0.000 0.927 435 D HN 0.251 nan 8.370 nan 0.000 0.519 436 L N 1.611 122.843 121.223 0.015 0.000 2.056 436 L HA -0.140 4.200 4.340 0.001 0.000 0.207 436 L C 2.331 179.224 176.870 0.038 0.000 1.078 436 L CA 1.496 56.358 54.840 0.036 0.000 0.749 436 L CB -0.723 41.369 42.059 0.056 0.000 0.901 436 L HN 0.135 nan 8.230 nan 0.000 0.433 437 E N -0.718 119.506 120.200 0.039 0.000 2.107 437 E HA -0.114 4.237 4.350 0.001 0.000 0.191 437 E C 1.821 178.432 176.600 0.019 0.000 0.982 437 E CA 1.202 57.627 56.400 0.042 0.000 0.809 437 E CB -0.432 29.305 29.700 0.062 0.000 0.756 437 E HN 0.384 nan 8.360 nan 0.000 0.459 438 A N 1.196 124.016 122.820 0.000 0.000 2.235 438 A HA 0.310 4.631 4.320 0.001 0.000 0.208 438 A C 1.799 179.383 177.584 -0.001 0.000 1.172 438 A CA 0.812 52.845 52.037 -0.007 0.000 0.786 438 A CB -0.683 18.303 19.000 -0.024 0.000 0.804 438 A HN 0.416 nan 8.150 nan 0.000 0.479 439 G N -0.599 108.205 108.800 0.008 0.000 2.168 439 G HA2 -0.292 3.669 3.960 0.001 0.000 0.257 439 G HA3 -0.292 3.669 3.960 0.001 0.000 0.257 439 G C 0.300 175.205 174.900 0.007 0.000 0.997 439 G CA 0.558 45.664 45.100 0.010 0.000 0.708 439 G HN 0.672 nan 8.290 nan 0.000 0.520 440 R N -0.624 119.878 120.500 0.003 0.000 2.536 440 R HA 0.614 4.954 4.340 0.001 0.000 0.279 440 R C 0.209 176.512 176.300 0.006 0.000 1.001 440 R CA -0.912 55.188 56.100 0.001 0.000 1.027 440 R CB 0.710 31.006 30.300 -0.007 0.000 1.096 440 R HN 0.003 nan 8.270 nan 0.000 0.502 441 R N 0.800 121.304 120.500 0.006 0.000 2.368 441 R HA 0.271 4.612 4.340 0.001 0.000 0.302 441 R C -0.633 175.668 176.300 0.001 0.000 1.002 441 R CA -0.328 55.777 56.100 0.007 0.000 0.929 441 R CB 1.753 32.056 30.300 0.004 0.000 1.073 441 R HN 0.589 nan 8.270 nan 0.000 0.464 442 T N 4.145 118.699 114.554 -0.001 0.000 2.767 442 T HA 0.453 4.804 4.350 0.001 0.000 0.288 442 T C 0.325 175.013 174.700 -0.020 0.000 0.963 442 T CA -0.506 61.586 62.100 -0.013 0.000 1.019 442 T CB 0.874 69.731 68.868 -0.018 0.000 0.923 442 T HN 0.189 nan 8.240 nan 0.000 0.468 443 I N 3.919 124.474 120.570 -0.025 0.000 2.378 443 I HA 0.386 4.557 4.170 0.001 0.000 0.291 443 I C -0.291 175.792 176.117 -0.057 0.000 0.992 443 I CA -1.427 59.853 61.300 -0.033 0.000 1.154 443 I CB 1.154 39.144 38.000 -0.018 0.000 1.315 443 I HN 0.479 nan 8.210 nan 0.000 0.448 444 L N 8.176 129.340 121.223 -0.098 0.000 2.264 444 L HA 0.508 4.849 4.340 0.001 0.000 0.289 444 L C -0.582 176.223 176.870 -0.109 0.000 1.044 444 L CA -0.156 54.594 54.840 -0.150 0.000 0.807 444 L CB 1.331 43.226 42.059 -0.274 0.000 1.192 444 L HN 0.316 nan 8.230 nan 0.000 0.425 445 V N 5.008 124.875 119.914 -0.078 0.000 2.311 445 V HA 0.559 4.680 4.120 0.001 0.000 0.275 445 V C 0.282 176.343 176.094 -0.056 0.000 1.022 445 V CA -0.272 62.009 62.300 -0.032 0.000 0.830 445 V CB 0.728 32.577 31.823 0.044 0.000 1.012 445 V HN 0.916 nan 8.190 nan 0.000 0.452 446 T N 3.259 117.769 114.554 -0.072 0.000 2.864 446 T HA 0.770 5.121 4.350 0.001 0.000 0.289 446 T C 0.168 174.837 174.700 -0.051 0.000 1.082 446 T CA 0.085 62.145 62.100 -0.066 0.000 1.009 446 T CB 1.950 70.750 68.868 -0.115 0.000 1.234 446 T HN 0.829 nan 8.240 nan 0.000 0.526 447 G N 0.480 109.266 108.800 -0.025 0.000 2.437 447 G HA2 0.381 4.342 3.960 0.001 0.000 0.319 447 G HA3 0.381 4.342 3.960 0.001 0.000 0.319 447 G C 0.820 175.620 174.900 -0.166 0.000 1.158 447 G CA -0.243 44.824 45.100 -0.055 0.000 0.899 447 G HN 0.810 nan 8.290 nan 0.000 0.502 448 D N 0.411 120.660 120.400 -0.251 0.000 2.178 448 D HA -0.105 4.535 4.640 0.001 0.000 0.201 448 D C 2.053 178.044 176.300 -0.514 0.000 0.980 448 D CA 1.286 54.999 54.000 -0.479 0.000 0.842 448 D CB -0.654 39.971 40.800 -0.292 0.000 0.948 448 D HN 0.463 nan 8.370 nan 0.000 0.472 449 G N 0.651 109.136 108.800 -0.525 0.000 2.434 449 G HA2 -0.234 3.727 3.960 0.001 0.000 0.214 449 G HA3 -0.234 3.727 3.960 0.001 0.000 0.214 449 G C 1.872 176.628 174.900 -0.241 0.000 1.202 449 G CA 1.158 45.671 45.100 -0.979 0.000 0.788 449 G HN 0.353 nan 8.290 nan 0.000 0.539 450 S N -0.204 115.558 115.700 0.102 0.000 2.382 450 S HA -0.117 4.354 4.470 0.001 0.000 0.228 450 S C 2.300 177.072 174.600 0.287 0.000 1.027 450 S CA 1.018 59.437 58.200 0.365 0.000 0.991 450 S CB -0.348 62.993 63.200 0.236 0.000 0.823 450 S HN 0.164 nan 8.310 nan 0.000 0.469 451 V N 2.122 122.078 119.914 0.070 0.000 2.720 451 V HA -0.087 4.034 4.120 0.001 0.000 0.256 451 V C 2.146 178.366 176.094 0.211 0.000 1.082 451 V CA 1.826 64.192 62.300 0.110 0.000 1.101 451 V CB -1.004 30.793 31.823 -0.042 0.000 0.693 451 V HN 0.560 nan 8.190 nan 0.000 0.479 452 G N -1.910 106.968 108.800 0.130 0.000 2.471 452 G HA2 -0.253 3.708 3.960 0.001 0.000 0.219 452 G HA3 -0.253 3.708 3.960 0.001 0.000 0.219 452 G C 1.299 176.288 174.900 0.148 0.000 1.125 452 G CA 0.806 45.999 45.100 0.154 0.000 0.775 452 G HN 0.590 nan 8.290 nan 0.000 0.548 453 Y N 0.876 121.272 120.300 0.161 0.000 2.274 453 Y HA -0.008 4.542 4.550 0.001 0.000 0.290 453 Y C 2.089 178.013 175.900 0.040 0.000 1.145 453 Y CA 1.562 59.731 58.100 0.114 0.000 1.203 453 Y CB 0.476 38.997 38.460 0.102 0.000 0.984 453 Y HN 0.156 nan 8.280 nan 0.000 0.533 454 S N -1.201 114.615 115.700 0.194 0.000 3.073 454 S HA 0.131 4.602 4.470 0.001 0.000 0.252 454 S C 1.097 175.585 174.600 -0.186 0.000 0.953 454 S CA -0.348 57.838 58.200 -0.024 0.000 1.105 454 S CB -0.115 63.037 63.200 -0.081 0.000 1.070 454 S HN 0.326 nan 8.310 nan 0.000 0.574 455 I N 2.096 122.717 120.570 0.086 0.000 2.423 455 I HA -0.117 4.054 4.170 0.001 0.000 0.254 455 I C 2.144 178.323 176.117 0.103 0.000 1.151 455 I CA 1.390 62.838 61.300 0.246 0.000 1.421 455 I CB -0.063 38.200 38.000 0.438 0.000 1.079 455 I HN 0.475 nan 8.210 nan 0.000 0.431 456 G N -0.158 108.616 108.800 -0.043 0.000 2.470 456 G HA2 -0.207 3.754 3.960 0.001 0.000 0.220 456 G HA3 -0.207 3.754 3.960 0.001 0.000 0.220 456 G C 1.377 175.944 174.900 -0.555 0.000 1.121 456 G CA 0.324 45.270 45.100 -0.257 0.000 0.766 456 G HN 0.346 nan 8.290 nan 0.000 0.553 457 E N 0.355 120.157 120.200 -0.663 0.000 2.401 457 E HA -0.062 4.289 4.350 0.001 0.000 0.199 457 E C 1.849 178.110 176.600 -0.565 0.000 1.023 457 E CA 0.144 56.090 56.400 -0.757 0.000 0.859 457 E CB -0.386 28.610 29.700 -1.174 0.000 0.780 457 E HN 0.619 nan 8.360 nan 0.000 0.523 458 F N 1.179 120.890 119.950 -0.397 0.000 2.126 458 F HA -0.242 4.285 4.527 0.001 0.000 0.299 458 F C 2.271 177.947 175.800 -0.206 0.000 1.096 458 F CA 1.446 59.406 58.000 -0.068 0.000 1.255 458 F CB -0.151 38.958 39.000 0.182 0.000 0.997 458 F HN 0.071 nan 8.300 nan 0.000 0.479 459 D N -0.424 119.699 120.400 -0.462 0.000 2.123 459 D HA -0.180 4.460 4.640 0.001 0.000 0.196 459 D C 1.999 178.241 176.300 -0.096 0.000 0.992 459 D CA 2.075 55.891 54.000 -0.306 0.000 0.833 459 D CB -0.155 40.332 40.800 -0.522 0.000 0.954 459 D HN 0.125 nan 8.370 nan 0.000 0.455 460 T N 0.093 114.568 114.554 -0.131 0.000 2.746 460 T HA -0.112 4.239 4.350 0.001 0.000 0.267 460 T C 1.736 176.452 174.700 0.026 0.000 1.039 460 T CA 0.581 62.654 62.100 -0.044 0.000 1.142 460 T CB -0.234 68.592 68.868 -0.069 0.000 0.866 460 T HN 0.070 nan 8.240 nan 0.000 0.444 461 L N 0.928 122.182 121.223 0.052 0.000 2.079 461 L HA -0.056 4.285 4.340 0.001 0.000 0.210 461 L C 2.531 179.478 176.870 0.129 0.000 1.081 461 L CA 1.247 56.162 54.840 0.125 0.000 0.752 461 L CB -1.132 41.053 42.059 0.212 0.000 0.896 461 L HN 0.167 nan 8.230 nan 0.000 0.433 462 V N -1.181 118.810 119.914 0.128 0.000 2.446 462 V HA -0.154 3.966 4.120 0.001 0.000 0.244 462 V C 2.577 178.723 176.094 0.088 0.000 1.039 462 V CA 1.089 63.461 62.300 0.121 0.000 1.045 462 V CB -0.404 31.505 31.823 0.144 0.000 0.681 462 V HN 0.365 nan 8.190 nan 0.000 0.459 463 R N 0.305 120.847 120.500 0.071 0.000 2.081 463 R HA -0.107 4.233 4.340 0.001 0.000 0.235 463 R C 2.013 178.348 176.300 0.059 0.000 1.131 463 R CA 1.052 57.186 56.100 0.058 0.000 0.960 463 R CB -0.182 30.145 30.300 0.045 0.000 0.856 463 R HN 0.314 nan 8.270 nan 0.000 0.436 464 K N 0.477 120.916 120.400 0.065 0.000 2.404 464 K HA 0.051 4.372 4.320 0.001 0.000 0.194 464 K C 0.098 176.743 176.600 0.074 0.000 1.023 464 K CA 0.210 56.538 56.287 0.068 0.000 1.094 464 K CB 0.360 32.905 32.500 0.075 0.000 0.841 464 K HN 0.220 nan 8.250 nan 0.000 0.523 465 Q N 0.624 120.472 119.800 0.080 0.000 2.463 465 Q HA -0.176 4.165 4.340 0.001 0.000 0.299 465 Q C -0.947 175.106 176.000 0.088 0.000 1.353 465 Q CA 0.286 56.139 55.803 0.082 0.000 0.828 465 Q CB -1.897 26.883 28.738 0.069 0.000 1.157 465 Q HN 0.259 nan 8.270 nan 0.000 0.436 466 L N 1.652 122.934 121.223 0.100 0.000 2.257 466 L HA 0.303 4.643 4.340 0.001 0.000 0.290 466 L C -1.448 175.488 176.870 0.110 0.000 1.044 466 L CA -1.863 53.037 54.840 0.101 0.000 0.810 466 L CB 0.630 42.753 42.059 0.107 0.000 1.193 466 L HN -0.047 nan 8.230 nan 0.000 0.425 467 P HA 0.041 nan 4.420 nan 0.000 0.235 467 P C -0.181 177.176 177.300 0.094 0.000 1.725 467 P CA -0.359 62.804 63.100 0.105 0.000 0.894 467 P CB 0.083 31.838 31.700 0.091 0.000 1.704 468 L N 0.769 122.049 121.223 0.096 0.000 2.453 468 L HA 0.172 4.513 4.340 0.001 0.000 0.272 468 L C -0.053 176.864 176.870 0.079 0.000 1.182 468 L CA 0.041 54.919 54.840 0.063 0.000 0.858 468 L CB -0.037 42.049 42.059 0.044 0.000 1.120 468 L HN -0.029 nan 8.230 nan 0.000 0.474 469 I N 5.397 125.990 120.570 0.038 0.000 2.336 469 I HA 0.294 4.465 4.170 0.001 0.000 0.292 469 I C -0.682 175.436 176.117 0.001 0.000 0.991 469 I CA -0.641 60.692 61.300 0.055 0.000 1.227 469 I CB 1.555 39.567 38.000 0.020 0.000 1.366 469 I HN 0.258 nan 8.210 nan 0.000 0.466 470 V N 7.847 127.790 119.914 0.049 0.000 2.334 470 V HA 0.396 4.517 4.120 0.001 0.000 0.281 470 V C 0.113 176.232 176.094 0.042 0.000 1.016 470 V CA -0.408 61.859 62.300 -0.055 0.000 0.832 470 V CB 1.116 32.842 31.823 -0.162 0.000 0.999 470 V HN 0.465 nan 8.190 nan 0.000 0.439 471 I N 6.424 126.990 120.570 -0.007 0.000 2.321 471 I HA 0.475 4.645 4.170 0.001 0.000 0.291 471 I C -0.069 176.018 176.117 -0.049 0.000 0.998 471 I CA -0.122 61.184 61.300 0.011 0.000 1.227 471 I CB 1.217 39.259 38.000 0.071 0.000 1.368 471 I HN 0.443 nan 8.210 nan 0.000 0.466 475 N N 2.104 120.782 118.700 -0.038 0.000 2.273 475 N HA 0.082 4.822 4.740 0.001 0.000 0.231 475 N C -0.358 175.149 175.510 -0.004 0.000 1.134 475 N CA -0.001 53.035 53.050 -0.023 0.000 0.856 475 N CB 0.206 38.679 38.487 -0.023 0.000 1.068 475 N HN 0.443 nan 8.380 nan 0.000 0.510 476 Q N -0.658 119.144 119.800 0.004 0.000 2.481 476 Q HA -0.197 4.143 4.340 0.001 0.000 0.272 476 Q C -0.927 175.063 176.000 -0.018 0.000 1.157 476 Q CA 1.320 57.129 55.803 0.010 0.000 0.935 476 Q CB -2.749 26.002 28.738 0.022 0.000 1.338 476 Q HN 0.859 nan 8.270 nan 0.000 0.494 477 S N -3.127 112.533 115.700 -0.068 0.000 2.622 477 S HA 0.431 4.902 4.470 0.001 0.000 0.275 477 S C -1.120 173.420 174.600 -0.099 0.000 1.112 477 S CA -1.111 57.052 58.200 -0.062 0.000 0.837 477 S CB 0.297 63.530 63.200 0.055 0.000 1.082 477 S HN 0.285 nan 8.310 nan 0.000 0.456 478 W N 2.280 123.612 121.300 0.053 0.000 2.518 478 W HA 0.452 5.112 4.660 0.001 0.000 0.439 478 W C 1.534 178.065 176.519 0.020 0.000 1.075 478 W CA 0.189 57.561 57.345 0.045 0.000 1.646 478 W CB -0.216 29.276 29.460 0.053 0.000 1.721 478 W HN 1.055 nan 8.180 nan 0.000 0.386 479 G N 1.836 110.719 108.800 0.139 0.000 2.453 479 G HA2 -0.253 3.707 3.960 0.001 0.000 0.215 479 G HA3 -0.253 3.707 3.960 0.001 0.000 0.215 479 G C 1.697 176.521 174.900 -0.125 0.000 1.201 479 G CA 1.050 46.139 45.100 -0.019 0.000 0.784 479 G HN 0.542 nan 8.290 nan 0.000 0.545 480 A N -0.442 122.333 122.820 -0.076 0.000 1.978 480 A HA -0.031 4.290 4.320 0.001 0.000 0.220 480 A C 2.449 180.095 177.584 0.104 0.000 1.170 480 A CA 2.490 54.493 52.037 -0.057 0.000 0.636 480 A CB -0.858 18.134 19.000 -0.014 0.000 0.810 480 A HN 0.356 nan 8.150 nan 0.000 0.448 481 T N -0.846 113.785 114.554 0.127 0.000 2.942 481 T HA 0.039 4.389 4.350 0.001 0.000 0.265 481 T C 1.757 176.594 174.700 0.228 0.000 1.062 481 T CA 1.127 63.316 62.100 0.149 0.000 1.139 481 T CB -0.292 68.632 68.868 0.095 0.000 0.883 481 T HN 0.396 nan 8.240 nan 0.000 0.468 482 L N -0.276 121.084 121.223 0.228 0.000 2.093 482 L HA -0.046 4.295 4.340 0.001 0.000 0.208 482 L C 2.394 179.447 176.870 0.306 0.000 1.085 482 L CA 1.503 56.491 54.840 0.247 0.000 0.755 482 L CB -0.270 41.927 42.059 0.231 0.000 0.904 482 L HN 0.454 nan 8.230 nan 0.000 0.435 483 H N -1.650 117.503 119.070 0.139 0.000 2.321 483 H HA -0.248 4.309 4.556 0.001 0.000 0.300 483 H C 2.070 177.464 175.328 0.111 0.000 1.087 483 H CA 1.651 57.761 56.048 0.104 0.000 1.319 483 H CB -0.114 29.702 29.762 0.090 0.000 1.379 483 H HN 0.389 nan 8.280 nan 0.000 0.501 484 F N 2.246 122.293 119.950 0.162 0.000 2.087 484 F HA -0.302 4.226 4.527 0.001 0.000 0.299 484 F C 2.486 178.323 175.800 0.062 0.000 1.100 484 F CA 1.715 59.766 58.000 0.084 0.000 1.226 484 F CB -0.177 38.860 39.000 0.061 0.000 0.983 484 F HN 0.137 nan 8.300 nan 0.000 0.479 485 Q N -0.348 119.597 119.800 0.242 0.000 2.050 485 Q HA -0.249 4.091 4.340 0.001 0.000 0.202 485 Q C 2.231 178.230 176.000 -0.002 0.000 0.980 485 Q CA 1.998 57.876 55.803 0.125 0.000 0.840 485 Q CB -0.361 28.480 28.738 0.171 0.000 0.898 485 Q HN 0.607 nan 8.270 nan 0.000 0.424 486 Q N -0.061 119.750 119.800 0.018 0.000 2.046 486 Q HA -0.150 4.191 4.340 0.001 0.000 0.200 486 Q C 1.979 177.930 176.000 -0.082 0.000 0.975 486 Q CA 0.901 56.689 55.803 -0.024 0.000 0.836 486 Q CB 0.004 28.730 28.738 -0.021 0.000 0.896 486 Q HN 0.215 nan 8.270 nan 0.000 0.428 487 L N 0.003 121.156 121.223 -0.115 0.000 2.072 487 L HA -0.044 4.297 4.340 0.001 0.000 0.205 487 L C 2.120 178.858 176.870 -0.219 0.000 1.079 487 L CA 1.838 56.589 54.840 -0.149 0.000 0.752 487 L CB -1.033 40.949 42.059 -0.127 0.000 0.906 487 L HN 0.167 nan 8.230 nan 0.000 0.436 488 A N -2.115 120.472 122.820 -0.390 0.000 2.095 488 A HA 0.184 4.504 4.320 0.001 0.000 0.212 488 A C 1.919 179.340 177.584 -0.273 0.000 1.162 488 A CA 1.000 52.760 52.037 -0.462 0.000 0.753 488 A CB 0.047 18.432 19.000 -1.024 0.000 0.840 488 A HN 0.193 nan 8.150 nan 0.000 0.468 489 V N -2.100 117.698 119.914 -0.193 0.000 2.996 489 V HA 0.547 4.668 4.120 0.001 0.000 0.235 489 V C 1.002 177.064 176.094 -0.054 0.000 1.205 489 V CA 0.524 62.772 62.300 -0.087 0.000 1.225 489 V CB -0.198 31.608 31.823 -0.029 0.000 0.995 489 V HN 0.922 nan 8.190 nan 0.000 0.484 490 G N 0.263 109.034 108.800 -0.049 0.000 2.352 490 G HA2 0.239 4.200 3.960 0.001 0.000 0.305 490 G HA3 0.239 4.200 3.960 0.001 0.000 0.305 490 G C -2.674 172.218 174.900 -0.014 0.000 1.537 490 G CA 0.048 45.130 45.100 -0.030 0.000 0.959 490 G HN -0.067 nan 8.290 nan 0.000 0.668 491 P HA -0.146 nan 4.420 nan 0.000 0.216 491 P C 0.931 178.238 177.300 0.012 0.000 1.154 491 P CA 1.716 64.815 63.100 -0.003 0.000 0.865 491 P CB -0.103 31.594 31.700 -0.005 0.000 0.789 492 N N -1.023 117.685 118.700 0.012 0.000 2.376 492 N HA 0.099 4.840 4.740 0.001 0.000 0.249 492 N C 0.470 175.996 175.510 0.026 0.000 1.140 492 N CA -0.403 52.660 53.050 0.021 0.000 0.870 492 N CB 0.220 38.717 38.487 0.017 0.000 1.124 492 N HN -0.001 nan 8.380 nan 0.000 0.505 493 R N 1.082 121.600 120.500 0.030 0.000 2.633 493 R HA 0.149 4.490 4.340 0.001 0.000 0.348 493 R C 0.027 176.363 176.300 0.058 0.000 1.100 493 R CA -0.295 55.828 56.100 0.038 0.000 1.068 493 R CB 0.138 30.456 30.300 0.029 0.000 1.351 493 R HN 0.131 nan 8.270 nan 0.000 0.575 494 V N 1.520 121.472 119.914 0.062 0.000 2.408 494 V HA 0.380 4.501 4.120 0.001 0.000 0.267 494 V C -0.793 175.349 176.094 0.080 0.000 1.047 494 V CA 0.459 62.809 62.300 0.083 0.000 0.937 494 V CB 0.951 32.826 31.823 0.085 0.000 0.999 494 V HN 0.309 nan 8.190 nan 0.000 0.472 495 T N 4.242 118.849 114.554 0.089 0.000 2.956 495 T HA 0.602 4.953 4.350 0.001 0.000 0.312 495 T C 0.678 175.433 174.700 0.093 0.000 1.151 495 T CA 0.057 62.206 62.100 0.080 0.000 1.024 495 T CB 1.440 70.346 68.868 0.063 0.000 1.140 495 T HN 1.561 nan 8.240 nan 0.000 0.473 496 G N 1.668 110.526 108.800 0.098 0.000 2.212 496 G HA2 -0.337 3.624 3.960 0.001 0.000 0.267 496 G HA3 -0.337 3.624 3.960 0.001 0.000 0.267 496 G C 0.723 175.736 174.900 0.188 0.000 1.002 496 G CA 1.325 46.494 45.100 0.115 0.000 0.729 496 G HN 1.210 nan 8.290 nan 0.000 0.517 497 T N -3.278 111.404 114.554 0.214 0.000 3.010 497 T HA 0.410 4.760 4.350 0.001 0.000 0.257 497 T C 0.987 175.876 174.700 0.314 0.000 1.020 497 T CA -0.092 62.201 62.100 0.321 0.000 0.938 497 T CB 0.604 69.614 68.868 0.237 0.000 1.049 497 T HN 0.465 nan 8.240 nan 0.000 0.522 498 R N 0.958 121.581 120.500 0.205 0.000 2.404 498 R HA 0.626 4.966 4.340 0.001 0.000 0.291 498 R C -0.737 175.612 176.300 0.082 0.000 1.025 498 R CA -0.453 55.720 56.100 0.122 0.000 0.991 498 R CB 1.078 31.433 30.300 0.091 0.000 1.053 498 R HN 0.262 nan 8.270 nan 0.000 0.479 499 L N 2.939 124.166 121.223 0.007 0.000 2.551 499 L HA 0.255 4.595 4.340 0.001 0.000 0.248 499 L C -0.465 176.401 176.870 -0.007 0.000 1.509 499 L CA 0.018 54.838 54.840 -0.033 0.000 0.842 499 L CB 1.070 43.024 42.059 -0.176 0.000 1.087 499 L HN 0.562 nan 8.230 nan 0.000 0.512 500 E N 2.050 122.254 120.200 0.007 0.000 2.127 500 E HA 0.287 4.637 4.350 0.001 0.000 0.262 500 E C -0.638 175.952 176.600 -0.016 0.000 1.144 500 E CA -0.212 56.190 56.400 0.004 0.000 1.144 500 E CB 0.425 30.133 29.700 0.013 0.000 1.297 500 E HN 0.388 nan 8.360 nan 0.000 0.469 501 N N 0.257 118.932 118.700 -0.040 0.000 3.452 501 N HA 0.380 5.121 4.740 0.001 0.000 0.231 501 N C -1.499 173.902 175.510 -0.181 0.000 1.264 501 N CA 0.286 53.285 53.050 -0.085 0.000 0.928 501 N CB 1.568 40.017 38.487 -0.063 0.000 1.547 501 N HN 0.277 nan 8.380 nan 0.000 0.509 502 G N 0.768 109.421 108.800 -0.247 0.000 3.338 502 G HA2 0.050 4.011 3.960 0.001 0.000 0.686 502 G HA3 0.050 4.011 3.960 0.001 0.000 0.686 502 G C -0.675 173.873 174.900 -0.587 0.000 1.053 502 G CA -0.243 44.595 45.100 -0.437 0.000 0.852 502 G HN 0.930 nan 8.290 nan 0.000 0.545 503 S N 2.462 117.891 115.700 -0.452 0.000 2.681 503 S HA 0.460 4.931 4.470 0.001 0.000 0.313 503 S C 1.507 175.857 174.600 -0.417 0.000 1.137 503 S CA -0.334 57.621 58.200 -0.409 0.000 1.045 503 S CB -0.134 62.801 63.200 -0.442 0.000 1.208 503 S HN 0.554 nan 8.310 nan 0.000 0.523 504 Y N 3.480 123.780 120.300 -0.000 0.000 2.333 504 Y HA -0.173 4.378 4.550 0.001 0.000 0.290 504 Y C 2.598 178.499 175.900 0.001 0.000 1.144 504 Y CA 1.878 60.007 58.100 0.048 0.000 1.228 504 Y CB -0.596 37.948 38.460 0.141 0.000 0.985 504 Y HN 0.845 nan 8.280 nan 0.000 0.542 505 H N -2.445 116.699 119.070 0.125 0.000 2.395 505 H HA 0.053 4.610 4.556 0.001 0.000 0.299 505 H C 2.405 177.694 175.328 -0.065 0.000 1.070 505 H CA 1.183 57.247 56.048 0.027 0.000 1.356 505 H CB -1.074 28.740 29.762 0.087 0.000 1.401 505 H HN 0.322 nan 8.280 nan 0.000 0.524 506 G N 1.392 109.849 108.800 -0.572 0.000 2.440 506 G HA2 -0.202 3.759 3.960 0.001 0.000 0.218 506 G HA3 -0.202 3.759 3.960 0.001 0.000 0.218 506 G C 1.896 176.647 174.900 -0.249 0.000 1.154 506 G CA 1.448 46.316 45.100 -0.386 0.000 0.767 506 G HN 0.364 nan 8.290 nan 0.000 0.552 507 V N 1.551 121.346 119.914 -0.199 0.000 2.287 507 V HA -0.175 3.946 4.120 0.001 0.000 0.248 507 V C 3.331 179.357 176.094 -0.114 0.000 1.053 507 V CA 2.129 64.354 62.300 -0.126 0.000 1.027 507 V CB -0.892 30.969 31.823 0.063 0.000 0.646 507 V HN 0.488 nan 8.190 nan 0.000 0.447 508 A N -0.140 122.537 122.820 -0.239 0.000 1.902 508 A HA -0.107 4.213 4.320 0.001 0.000 0.217 508 A C 2.438 179.921 177.584 -0.167 0.000 1.181 508 A CA 2.097 53.845 52.037 -0.482 0.000 0.623 508 A CB -0.815 17.592 19.000 -0.988 0.000 0.818 508 A HN 0.575 nan 8.150 nan 0.000 0.443 509 A N -0.024 122.706 122.820 -0.150 0.000 1.883 509 A HA 0.123 4.443 4.320 0.001 0.000 0.217 509 A C 2.477 180.010 177.584 -0.085 0.000 1.186 509 A CA 2.181 54.161 52.037 -0.096 0.000 0.624 509 A CB -1.088 17.852 19.000 -0.101 0.000 0.822 509 A HN 1.165 nan 8.150 nan 0.000 0.444 510 A N -1.985 120.741 122.820 -0.157 0.000 2.125 510 A HA 0.068 4.389 4.320 0.001 0.000 0.219 510 A C 1.570 179.025 177.584 -0.215 0.000 1.156 510 A CA 1.172 53.080 52.037 -0.214 0.000 0.671 510 A CB -0.617 18.194 19.000 -0.316 0.000 0.794 510 A HN 0.442 nan 8.150 nan 0.000 0.459 511 F N -1.086 118.857 119.950 -0.013 0.000 2.765 511 F HA 0.343 4.871 4.527 0.001 0.000 0.302 511 F C 1.885 177.713 175.800 0.047 0.000 1.111 511 F CA 0.239 58.264 58.000 0.041 0.000 1.359 511 F CB 0.105 39.174 39.000 0.115 0.000 1.097 511 F HN 0.359 nan 8.300 nan 0.000 0.577 512 G N -0.139 108.761 108.800 0.167 0.000 2.176 512 G HA2 -0.090 3.871 3.960 0.001 0.000 0.232 512 G HA3 -0.090 3.871 3.960 0.001 0.000 0.232 512 G C 0.367 175.328 174.900 0.102 0.000 0.986 512 G CA -0.132 45.037 45.100 0.114 0.000 0.643 512 G HN 0.604 nan 8.290 nan 0.000 0.522 513 A N 0.311 123.198 122.820 0.112 0.000 2.304 513 A HA 0.602 4.922 4.320 0.001 0.000 0.301 513 A C 0.057 177.655 177.584 0.024 0.000 1.132 513 A CA -0.221 51.879 52.037 0.105 0.000 0.819 513 A CB 0.484 19.582 19.000 0.165 0.000 1.094 513 A HN 0.195 nan 8.150 nan 0.000 0.492 514 D N 1.212 121.639 120.400 0.044 0.000 2.417 514 D HA 0.376 5.017 4.640 0.001 0.000 0.250 514 D C 0.379 176.629 176.300 -0.083 0.000 1.166 514 D CA 1.056 55.026 54.000 -0.051 0.000 0.881 514 D CB 1.142 41.937 40.800 -0.009 0.000 1.164 514 D HN 0.641 nan 8.370 nan 0.000 0.467 515 G N 1.807 110.495 108.800 -0.187 0.000 2.478 515 G HA2 0.519 4.480 3.960 0.001 0.000 0.317 515 G HA3 0.519 4.480 3.960 0.001 0.000 0.317 515 G C -1.312 173.505 174.900 -0.138 0.000 1.259 515 G CA -0.511 44.561 45.100 -0.046 0.000 0.933 515 G HN 0.316 nan 8.290 nan 0.000 0.478 516 Y N 0.110 120.464 120.300 0.089 0.000 2.499 516 Y HA 0.561 5.111 4.550 0.001 0.000 0.347 516 Y C -0.019 175.809 175.900 -0.120 0.000 0.987 516 Y CA -0.936 57.170 58.100 0.010 0.000 1.044 516 Y CB 2.800 41.281 38.460 0.033 0.000 1.245 516 Y HN 0.735 nan 8.280 nan 0.000 0.461 517 H N 1.647 120.607 119.070 -0.182 0.000 2.600 517 H HA 0.782 5.339 4.556 0.001 0.000 0.357 517 H C -1.560 173.701 175.328 -0.112 0.000 1.106 517 H CA -0.800 55.054 56.048 -0.323 0.000 1.193 517 H CB 1.520 30.826 29.762 -0.759 0.000 1.594 517 H HN 0.554 nan 8.280 nan 0.000 0.526 518 V N 2.011 121.604 119.914 -0.536 0.000 3.147 518 V HA 0.496 4.617 4.120 0.001 0.000 0.306 518 V C -1.067 174.792 176.094 -0.392 0.000 1.209 518 V CA -0.591 61.538 62.300 -0.286 0.000 1.023 518 V CB 2.320 34.078 31.823 -0.108 0.000 1.059 518 V HN 0.998 nan 8.190 nan 0.000 0.435 519 D N -0.377 119.913 120.400 -0.184 0.000 2.615 519 D HA 0.438 5.078 4.640 0.001 0.000 0.274 519 D C -0.112 176.146 176.300 -0.069 0.000 1.512 519 D CA 0.412 54.325 54.000 -0.145 0.000 0.803 519 D CB 0.428 41.186 40.800 -0.070 0.000 1.182 519 D HN 0.827 nan 8.370 nan 0.000 0.473 520 S N -1.087 114.593 115.700 -0.034 0.000 2.547 520 S HA 0.371 4.842 4.470 0.001 0.000 0.270 520 S C 0.720 175.359 174.600 0.064 0.000 1.150 520 S CA -0.514 57.695 58.200 0.015 0.000 0.850 520 S CB 1.470 64.683 63.200 0.021 0.000 1.118 520 S HN -0.156 nan 8.310 nan 0.000 0.461 521 V N 3.378 123.324 119.914 0.054 0.000 2.252 521 V HA -0.213 3.908 4.120 0.001 0.000 0.249 521 V C 2.521 178.643 176.094 0.047 0.000 1.056 521 V CA 2.777 65.112 62.300 0.059 0.000 1.022 521 V CB -0.953 30.858 31.823 -0.020 0.000 0.641 521 V HN 0.959 nan 8.190 nan 0.000 0.445 522 E N 1.059 121.271 120.200 0.021 0.000 2.072 522 E HA -0.186 4.165 4.350 0.001 0.000 0.190 522 E C 2.199 178.813 176.600 0.023 0.000 0.982 522 E CA 1.572 57.977 56.400 0.008 0.000 0.803 522 E CB -0.523 29.176 29.700 -0.002 0.000 0.755 522 E HN 0.664 nan 8.360 nan 0.000 0.453 523 S N 0.631 116.357 115.700 0.044 0.000 2.368 523 S HA -0.193 4.278 4.470 0.001 0.000 0.225 523 S C 1.944 176.597 174.600 0.089 0.000 1.030 523 S CA 0.850 59.081 58.200 0.052 0.000 0.999 523 S CB -0.707 62.518 63.200 0.043 0.000 0.844 523 S HN 0.388 nan 8.310 nan 0.000 0.459 524 F N 2.578 122.480 119.950 -0.079 0.000 2.134 524 F HA 0.066 4.594 4.527 0.001 0.000 0.299 524 F C 2.671 178.409 175.800 -0.103 0.000 1.097 524 F CA 0.782 58.719 58.000 -0.104 0.000 1.264 524 F CB -1.198 37.747 39.000 -0.091 0.000 1.001 524 F HN 0.297 nan 8.300 nan 0.000 0.479 525 S N 0.054 115.677 115.700 -0.128 0.000 2.353 525 S HA -0.190 4.281 4.470 0.001 0.000 0.222 525 S C 2.369 176.870 174.600 -0.165 0.000 1.035 525 S CA 1.479 59.553 58.200 -0.211 0.000 1.025 525 S CB -0.862 62.275 63.200 -0.105 0.000 0.902 525 S HN 0.520 nan 8.310 nan 0.000 0.440 526 A N 1.130 123.893 122.820 -0.094 0.000 1.908 526 A HA 0.090 4.411 4.320 0.001 0.000 0.218 526 A C 2.374 179.868 177.584 -0.149 0.000 1.181 526 A CA 1.992 53.979 52.037 -0.083 0.000 0.627 526 A CB -1.231 17.753 19.000 -0.028 0.000 0.818 526 A HN 0.665 nan 8.150 nan 0.000 0.445 527 A N -0.688 122.022 122.820 -0.183 0.000 1.873 527 A HA 0.003 4.323 4.320 0.001 0.000 0.215 527 A C 2.119 179.382 177.584 -0.536 0.000 1.186 527 A CA 1.711 53.496 52.037 -0.420 0.000 0.616 527 A CB -0.598 18.202 19.000 -0.334 0.000 0.823 527 A HN 0.636 nan 8.150 nan 0.000 0.442 528 L N -0.203 120.767 121.223 -0.421 0.000 2.056 528 L HA -0.013 4.327 4.340 0.001 0.000 0.207 528 L C 2.667 179.270 176.870 -0.445 0.000 1.078 528 L CA 2.066 56.617 54.840 -0.483 0.000 0.749 528 L CB -0.954 40.678 42.059 -0.710 0.000 0.901 528 L HN 0.352 nan 8.230 nan 0.000 0.433 529 A N -1.064 121.561 122.820 -0.324 0.000 1.908 529 A HA -0.304 4.016 4.320 0.001 0.000 0.218 529 A C 2.333 179.793 177.584 -0.206 0.000 1.181 529 A CA 1.937 53.867 52.037 -0.178 0.000 0.627 529 A CB -0.712 18.247 19.000 -0.068 0.000 0.818 529 A HN 0.636 nan 8.150 nan 0.000 0.445 530 Q N -0.820 118.841 119.800 -0.232 0.000 2.119 530 Q HA -0.081 4.259 4.340 0.001 0.000 0.201 530 Q C 2.164 177.967 176.000 -0.329 0.000 0.972 530 Q CA 1.449 57.101 55.803 -0.252 0.000 0.847 530 Q CB -0.310 28.368 28.738 -0.100 0.000 0.903 530 Q HN 0.627 nan 8.270 nan 0.000 0.433 531 A N 0.294 122.970 122.820 -0.240 0.000 1.929 531 A HA -0.119 4.201 4.320 0.001 0.000 0.216 531 A C 1.874 179.408 177.584 -0.083 0.000 1.176 531 A CA 0.784 52.776 52.037 -0.075 0.000 0.628 531 A CB -0.445 18.510 19.000 -0.076 0.000 0.816 531 A HN 0.398 nan 8.150 nan 0.000 0.444 532 L N -0.476 120.653 121.223 -0.156 0.000 2.131 532 L HA -0.107 4.234 4.340 0.001 0.000 0.210 532 L C 2.772 179.594 176.870 -0.081 0.000 1.092 532 L CA 1.837 56.611 54.840 -0.110 0.000 0.759 532 L CB -1.439 40.537 42.059 -0.138 0.000 0.903 532 L HN 0.445 nan 8.230 nan 0.000 0.435 533 A N -2.265 120.455 122.820 -0.165 0.000 2.119 533 A HA -0.072 4.248 4.320 0.001 0.000 0.216 533 A C 0.536 178.092 177.584 -0.046 0.000 1.152 533 A CA 0.403 52.351 52.037 -0.149 0.000 0.708 533 A CB -0.503 18.359 19.000 -0.229 0.000 0.805 533 A HN 0.378 nan 8.150 nan 0.000 0.460 534 H N -0.271 118.825 119.070 0.043 0.000 2.467 534 H HA 0.237 4.794 4.556 0.001 0.000 0.326 534 H C -0.532 174.829 175.328 0.054 0.000 1.094 534 H CA -1.200 54.882 56.048 0.057 0.000 1.253 534 H CB 0.806 30.617 29.762 0.082 0.000 1.439 534 H HN 0.229 nan 8.280 nan 0.000 0.479 535 N N 3.287 122.095 118.700 0.181 0.000 2.971 535 N HA 0.049 4.789 4.740 0.001 0.000 0.294 535 N C -0.645 174.934 175.510 0.115 0.000 1.210 535 N CA 0.035 53.156 53.050 0.118 0.000 1.157 535 N CB -0.306 38.233 38.487 0.086 0.000 1.450 535 N HN 0.513 nan 8.380 nan 0.000 0.527 536 R N 1.126 121.710 120.500 0.140 0.000 2.604 536 R HA 0.365 4.706 4.340 0.001 0.000 0.261 536 R C -2.838 173.560 176.300 0.162 0.000 1.080 536 R CA -1.346 54.837 56.100 0.138 0.000 0.917 536 R CB 1.919 32.302 30.300 0.138 0.000 1.252 536 R HN 0.226 nan 8.270 nan 0.000 0.456 537 P HA 0.364 nan 4.420 nan 0.000 0.274 537 P C -1.487 175.962 177.300 0.248 0.000 1.231 537 P CA -0.290 62.935 63.100 0.209 0.000 0.790 537 P CB 1.636 33.479 31.700 0.238 0.000 0.951 538 A N 1.177 124.171 122.820 0.289 0.000 2.587 538 A HA 0.591 4.912 4.320 0.001 0.000 0.293 538 A C -1.453 176.352 177.584 0.368 0.000 1.087 538 A CA -0.535 51.694 52.037 0.320 0.000 0.692 538 A CB 1.317 20.538 19.000 0.368 0.000 1.291 538 A HN 0.644 nan 8.150 nan 0.000 0.407 539 C N 1.711 121.203 119.300 0.320 0.000 2.396 539 C HA 0.796 5.257 4.460 0.001 0.000 0.321 539 C C -1.025 174.157 174.990 0.320 0.000 1.233 539 C CA -0.524 58.675 59.018 0.301 0.000 1.440 539 C CB -0.935 26.849 27.740 0.073 0.000 2.110 539 C HN 0.587 nan 8.230 nan 0.000 0.473 540 I N 6.068 126.780 120.570 0.237 0.000 2.382 540 I HA 0.295 4.466 4.170 0.001 0.000 0.285 540 I C -0.291 175.864 176.117 0.064 0.000 1.007 540 I CA -0.117 61.287 61.300 0.174 0.000 1.142 540 I CB 0.970 39.043 38.000 0.123 0.000 1.289 540 I HN 0.600 nan 8.210 nan 0.000 0.453 541 N N 6.592 125.330 118.700 0.062 0.000 2.437 541 N HA 0.241 4.981 4.740 0.001 0.000 0.243 541 N C -0.980 174.378 175.510 -0.253 0.000 1.041 541 N CA -0.194 52.879 53.050 0.038 0.000 0.940 541 N CB 1.082 39.762 38.487 0.321 0.000 1.133 541 N HN 0.265 nan 8.380 nan 0.000 0.506 542 V N 2.627 122.360 119.914 -0.301 0.000 2.333 542 V HA 0.479 4.599 4.120 0.001 0.000 0.274 542 V C 0.572 176.464 176.094 -0.337 0.000 1.028 542 V CA -1.321 60.697 62.300 -0.470 0.000 0.851 542 V CB 0.632 32.031 31.823 -0.707 0.000 1.000 542 V HN 0.715 nan 8.190 nan 0.000 0.456 543 A N 5.374 127.977 122.820 -0.362 0.000 2.444 543 A HA 0.585 4.906 4.320 0.001 0.000 0.273 543 A C -0.246 177.230 177.584 -0.180 0.000 1.136 543 A CA 0.061 51.985 52.037 -0.190 0.000 0.799 543 A CB 0.259 19.184 19.000 -0.124 0.000 1.081 543 A HN 0.688 nan 8.150 nan 0.000 0.509 544 V N 2.055 121.884 119.914 -0.141 0.000 2.876 544 V HA 0.646 4.767 4.120 0.001 0.000 0.312 544 V C 0.630 176.652 176.094 -0.120 0.000 1.085 544 V CA -0.316 61.895 62.300 -0.148 0.000 0.945 544 V CB 2.009 33.728 31.823 -0.173 0.000 1.017 544 V HN 1.262 nan 8.190 nan 0.000 0.428 545 A N 2.625 125.360 122.820 -0.140 0.000 2.445 545 A HA 0.444 4.765 4.320 0.001 0.000 0.242 545 A C 0.526 178.058 177.584 -0.087 0.000 1.075 545 A CA 0.227 52.195 52.037 -0.115 0.000 0.777 545 A CB 0.332 19.248 19.000 -0.140 0.000 1.013 545 A HN 0.968 nan 8.150 nan 0.000 0.493 546 L N 0.507 121.725 121.223 -0.009 0.000 2.357 546 L HA 0.183 4.524 4.340 0.001 0.000 0.211 546 L C 1.356 178.353 176.870 0.211 0.000 1.075 546 L CA 1.554 56.445 54.840 0.085 0.000 0.830 546 L CB -0.357 41.760 42.059 0.097 0.000 0.996 546 L HN 0.722 nan 8.230 nan 0.000 0.467 547 D N 0.251 120.718 120.400 0.112 0.000 2.149 547 D HA -0.067 4.574 4.640 0.001 0.000 0.198 547 D C -1.471 174.888 176.300 0.098 0.000 0.990 547 D CA 0.853 54.902 54.000 0.082 0.000 0.839 547 D CB -1.436 39.381 40.800 0.028 0.000 0.948 547 D HN 0.316 nan 8.370 nan 0.000 0.460 548 P HA 0.060 nan 4.420 nan 0.000 0.266 548 P C -0.325 177.255 177.300 0.467 0.000 1.195 548 P CA 0.323 63.550 63.100 0.212 0.000 0.768 548 P CB 0.528 32.161 31.700 -0.111 0.000 0.838 549 I N 5.372 126.163 120.570 0.367 0.000 2.330 549 I HA 0.281 4.452 4.170 0.001 0.000 0.289 549 I C -1.969 174.088 176.117 -0.100 0.000 1.001 549 I CA -2.555 58.862 61.300 0.195 0.000 1.193 549 I CB 1.576 39.602 38.000 0.043 0.000 1.345 549 I HN 0.191 nan 8.210 nan 0.000 0.461 550 P HA 0.180 nan 4.420 nan 0.000 0.271 550 P C -2.317 174.607 177.300 -0.628 0.000 1.216 550 P CA -1.459 60.779 63.100 -1.438 0.000 0.776 550 P CB 0.438 31.063 31.700 -1.792 0.000 0.881 551 P HA -0.215 nan 4.420 nan 0.000 0.216 551 P C 1.445 178.576 177.300 -0.281 0.000 1.157 551 P CA 1.682 64.607 63.100 -0.292 0.000 0.880 551 P CB -0.037 31.524 31.700 -0.232 0.000 0.791 552 E N -0.473 119.556 120.200 -0.284 0.000 2.209 552 E HA -0.221 4.129 4.350 0.001 0.000 0.196 552 E C 1.981 178.480 176.600 -0.170 0.000 0.993 552 E CA 0.940 57.219 56.400 -0.202 0.000 0.819 552 E CB -0.441 29.179 29.700 -0.133 0.000 0.745 552 E HN 0.514 nan 8.360 nan 0.000 0.477 553 E N 0.860 120.935 120.200 -0.207 0.000 2.051 553 E HA -0.142 4.209 4.350 0.001 0.000 0.192 553 E C 1.969 178.530 176.600 -0.064 0.000 0.991 553 E CA 0.601 56.931 56.400 -0.117 0.000 0.799 553 E CB -0.133 29.505 29.700 -0.103 0.000 0.748 553 E HN 0.186 nan 8.360 nan 0.000 0.449 554 L N 1.364 122.531 121.223 -0.092 0.000 2.651 554 L HA -0.077 4.264 4.340 0.001 0.000 0.236 554 L C 0.947 177.788 176.870 -0.048 0.000 1.173 554 L CA 0.188 54.990 54.840 -0.064 0.000 0.843 554 L CB -0.476 41.534 42.059 -0.082 0.000 0.964 554 L HN 0.241 nan 8.230 nan 0.000 0.454 555 I N 0.000 120.537 120.570 -0.054 0.000 2.984 555 I HA 0.000 4.171 4.170 0.001 0.000 0.288 555 I CA 0.000 61.284 61.300 -0.026 0.000 1.566 555 I CB 0.000 37.941 38.000 -0.099 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494