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 3l5c_1_B DATA FIRST_RESID 58 DATA SEQUENCE GSFVEMVDNL RGKSGQGYYV EMTVGSPPQT LNILVDTGSS NFAVGAAPHP DATA SEQUENCE FLHRYYQRQL SSTYRDLRKG VYVPYTXXKW EGELGTDLVS IPHGPNVTVR DATA SEQUENCE ANIAAITESD KFFINGSNWE GILGLAYAEI ARPDDSLEPF FDSLVKQTHV DATA SEQUENCE PNLFSLQLcG AGFPLNQSEV LASVGGSMII GGIDHSLYTG SLWYTPIRRE DATA SEQUENCE WYYEVIIVRV EINGQDLKMD cKEYNYDKSI VDSGTTNLRL PKKVFEAAVK DATA SEQUENCE SIKAASSTEK FPDGFWLGEQ LVcWQAGTTP WNIFPVISLY LMGEVTNQSF DATA SEQUENCE RITILPQQYL RPVEDVATSQ DDcYKFAISQ SSTGTVMGAV IMEGFYVVFD DATA SEQUENCE RARKRIGFAV SAcHVHDEFR TAAVEGPFVT LDMEDcGYN 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 58 G HA2 0.000 nan 3.960 nan 0.000 0.244 58 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 58 G C 0.000 174.917 174.900 0.028 0.000 0.946 58 G CA 0.000 45.044 45.100 -0.094 0.000 0.502 59 S N -0.149 115.479 115.700 -0.120 0.000 2.619 59 S HA 0.743 5.213 4.470 -0.000 0.000 0.280 59 S C -1.438 173.019 174.600 -0.240 0.000 1.150 59 S CA -0.724 57.462 58.200 -0.022 0.000 0.978 59 S CB 1.441 64.609 63.200 -0.054 0.000 1.041 59 S HN 0.229 nan 8.310 nan 0.000 0.485 60 F N 2.316 122.303 119.950 0.063 0.000 2.531 60 F HA 0.371 4.898 4.527 -0.000 0.000 0.333 60 F C 1.099 176.935 175.800 0.060 0.000 1.292 60 F CA -1.126 56.915 58.000 0.069 0.000 1.184 60 F CB 0.807 39.865 39.000 0.097 0.000 1.426 60 F HN 0.480 nan 8.300 nan 0.000 0.559 61 V N 0.771 120.765 119.914 0.132 0.000 2.568 61 V HA -0.253 3.867 4.120 -0.000 0.000 0.253 61 V C 2.380 178.543 176.094 0.116 0.000 1.072 61 V CA 2.115 64.475 62.300 0.100 0.000 1.084 61 V CB -0.368 31.483 31.823 0.048 0.000 0.676 61 V HN 0.616 nan 8.190 nan 0.000 0.469 62 E N 0.001 120.286 120.200 0.140 0.000 2.347 62 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 62 E C 1.778 178.489 176.600 0.185 0.000 1.008 62 E CA 1.139 57.631 56.400 0.154 0.000 0.852 62 E CB -0.262 29.520 29.700 0.138 0.000 0.783 62 E HN 0.603 nan 8.360 nan 0.000 0.505 63 M N 0.576 120.290 119.600 0.190 0.000 2.421 63 M HA 0.154 4.633 4.480 -0.000 0.000 0.258 63 M C 0.307 176.677 176.300 0.117 0.000 1.122 63 M CA -0.120 55.280 55.300 0.165 0.000 1.078 63 M CB 1.204 33.903 32.600 0.166 0.000 1.380 63 M HN -0.216 nan 8.290 nan 0.000 0.499 64 V N 3.045 123.028 119.914 0.114 0.000 2.599 64 V HA -0.082 4.038 4.120 -0.000 0.000 0.300 64 V C 0.160 176.269 176.094 0.024 0.000 1.034 64 V CA 0.674 63.015 62.300 0.069 0.000 1.115 64 V CB 0.139 32.001 31.823 0.066 0.000 0.934 64 V HN 0.552 nan 8.190 nan 0.000 0.485 65 D N 2.810 123.212 120.400 0.003 0.000 2.981 65 D HA -0.167 4.473 4.640 -0.000 0.000 0.223 65 D C 0.879 177.141 176.300 -0.064 0.000 1.151 65 D CA 1.209 55.192 54.000 -0.029 0.000 0.827 65 D CB -1.185 39.595 40.800 -0.033 0.000 1.101 65 D HN 0.923 nan 8.370 nan 0.000 0.426 66 N N 0.174 118.850 118.700 -0.040 0.000 2.398 66 N HA -0.015 4.725 4.740 -0.000 0.000 0.188 66 N C 0.423 175.902 175.510 -0.052 0.000 1.122 66 N CA 0.192 53.207 53.050 -0.058 0.000 0.866 66 N CB 0.151 38.665 38.487 0.044 0.000 0.970 66 N HN 0.350 nan 8.380 nan 0.000 0.462 67 L N 0.167 121.354 121.223 -0.060 0.000 2.331 67 L HA 0.549 4.889 4.340 -0.000 0.000 0.275 67 L C 0.354 177.132 176.870 -0.153 0.000 1.022 67 L CA -0.852 53.933 54.840 -0.092 0.000 0.812 67 L CB 1.568 43.608 42.059 -0.031 0.000 1.257 67 L HN -0.068 nan 8.230 nan 0.000 0.435 68 R N 0.511 120.776 120.500 -0.391 0.000 2.836 68 R HA 0.845 5.185 4.340 -0.000 0.000 0.269 68 R C -0.483 175.440 176.300 -0.629 0.000 1.010 68 R CA -0.593 55.221 56.100 -0.477 0.000 0.930 68 R CB 2.307 32.309 30.300 -0.497 0.000 1.218 68 R HN 0.855 nan 8.270 nan 0.000 0.473 69 G N 0.910 109.494 108.800 -0.360 0.000 2.331 69 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.479 69 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.479 69 G C -1.742 172.782 174.900 -0.627 0.000 1.262 69 G CA -0.521 44.357 45.100 -0.370 0.000 1.029 69 G HN 0.702 nan 8.290 nan 0.000 0.487 70 K N -2.268 117.650 120.400 -0.804 0.000 2.578 70 K HA 0.709 5.028 4.320 -0.000 0.000 0.287 70 K C 1.306 177.607 176.600 -0.497 0.000 1.010 70 K CA 0.116 56.018 56.287 -0.642 0.000 0.889 70 K CB 1.247 33.610 32.500 -0.229 0.000 1.514 70 K HN 1.309 nan 8.250 nan 0.000 0.424 71 S N -0.022 115.619 115.700 -0.099 0.000 2.387 71 S HA -0.166 4.304 4.470 -0.000 0.000 0.230 71 S C 1.861 176.480 174.600 0.031 0.000 1.035 71 S CA 1.468 59.718 58.200 0.083 0.000 1.014 71 S CB -0.940 62.344 63.200 0.139 0.000 0.836 71 S HN 0.808 nan 8.310 nan 0.000 0.466 72 G N 0.629 109.429 108.800 -0.000 0.000 2.403 72 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.216 72 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.216 72 G C 1.501 176.417 174.900 0.026 0.000 1.154 72 G CA 0.476 45.585 45.100 0.014 0.000 0.784 72 G HN 0.631 nan 8.290 nan 0.000 0.538 73 Q N -0.642 119.167 119.800 0.016 0.000 2.317 73 Q HA 0.378 4.718 4.340 -0.000 0.000 0.220 73 Q C 0.792 176.942 176.000 0.251 0.000 0.873 73 Q CA 0.258 56.120 55.803 0.098 0.000 0.936 73 Q CB 1.337 30.099 28.738 0.040 0.000 1.105 73 Q HN 0.458 nan 8.270 nan 0.000 0.520 74 G N 0.641 109.484 108.800 0.072 0.000 2.650 74 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 74 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 74 G C -1.446 173.395 174.900 -0.099 0.000 1.205 74 G CA -1.012 44.113 45.100 0.042 0.000 0.781 74 G HN 0.120 nan 8.290 nan 0.000 0.648 75 Y N 0.470 120.782 120.300 0.020 0.000 2.330 75 Y HA 0.657 5.207 4.550 0.000 0.000 0.336 75 Y C 0.748 176.620 175.900 -0.047 0.000 1.036 75 Y CA -0.109 57.960 58.100 -0.051 0.000 1.125 75 Y CB 1.524 39.934 38.460 -0.084 0.000 1.194 75 Y HN 0.780 nan 8.280 nan 0.000 0.469 76 Y N 0.429 120.774 120.300 0.076 0.000 2.576 76 Y HA 0.823 5.373 4.550 -0.000 0.000 0.346 76 Y C -1.666 174.260 175.900 0.043 0.000 1.018 76 Y CA -1.743 56.364 58.100 0.011 0.000 1.050 76 Y CB 0.940 39.432 38.460 0.055 0.000 1.280 76 Y HN 0.410 nan 8.280 nan 0.000 0.474 77 V N 1.780 121.805 119.914 0.185 0.000 2.864 77 V HA 0.409 4.529 4.120 -0.000 0.000 0.314 77 V C -0.707 175.499 176.094 0.186 0.000 1.073 77 V CA -0.866 61.506 62.300 0.119 0.000 0.956 77 V CB 1.805 33.642 31.823 0.024 0.000 1.023 77 V HN 0.992 nan 8.190 nan 0.000 0.435 78 E N 5.035 125.345 120.200 0.183 0.000 2.338 78 E HA 0.485 4.835 4.350 -0.000 0.000 0.272 78 E C -0.863 175.785 176.600 0.079 0.000 1.029 78 E CA -0.228 56.272 56.400 0.166 0.000 0.872 78 E CB 0.880 30.705 29.700 0.208 0.000 1.015 78 E HN 0.679 nan 8.360 nan 0.000 0.417 79 M N 2.023 121.652 119.600 0.048 0.000 2.631 79 M HA 0.330 4.810 4.480 -0.000 0.000 0.288 79 M C -0.828 175.480 176.300 0.013 0.000 1.260 79 M CA -0.944 54.352 55.300 -0.007 0.000 0.842 79 M CB 2.540 35.101 32.600 -0.065 0.000 1.743 79 M HN 0.569 nan 8.290 nan 0.000 0.461 80 T N -0.371 114.185 114.554 0.003 0.000 2.876 80 T HA 0.825 5.175 4.350 -0.000 0.000 0.289 80 T C -0.732 173.979 174.700 0.019 0.000 1.014 80 T CA -0.810 61.298 62.100 0.013 0.000 0.986 80 T CB 1.611 70.488 68.868 0.014 0.000 1.021 80 T HN 0.696 nan 8.240 nan 0.000 0.458 81 V N -1.000 118.915 119.914 0.001 0.000 2.709 81 V HA 0.993 5.113 4.120 -0.000 0.000 0.308 81 V C 0.430 176.554 176.094 0.049 0.000 1.062 81 V CA 0.137 62.420 62.300 -0.027 0.000 0.901 81 V CB 0.640 32.295 31.823 -0.280 0.000 1.003 81 V HN 2.037 nan 8.190 nan 0.000 0.425 82 G N 3.064 111.932 108.800 0.113 0.000 2.757 82 G HA2 0.144 4.104 3.960 -0.000 0.000 0.638 82 G HA3 0.144 4.104 3.960 -0.000 0.000 0.638 82 G C -0.413 174.560 174.900 0.122 0.000 1.344 82 G CA -0.301 44.909 45.100 0.183 0.000 0.855 82 G HN 1.813 nan 8.290 nan 0.000 0.537 83 S N 2.401 118.172 115.700 0.119 0.000 2.707 83 S HA 0.694 5.164 4.470 -0.000 0.000 0.303 83 S C -2.093 172.549 174.600 0.069 0.000 1.132 83 S CA -0.444 57.804 58.200 0.081 0.000 1.046 83 S CB 2.779 66.024 63.200 0.076 0.000 1.004 83 S HN 0.832 nan 8.310 nan 0.000 0.483 84 P HA 0.285 nan 4.420 nan 0.000 0.272 84 P C -2.905 174.425 177.300 0.050 0.000 1.230 84 P CA -1.618 61.508 63.100 0.043 0.000 0.788 84 P CB -0.577 31.140 31.700 0.029 0.000 0.949 85 P HA 0.018 nan 4.420 nan 0.000 0.258 85 P C -0.484 176.838 177.300 0.036 0.000 1.172 85 P CA 0.974 64.098 63.100 0.040 0.000 0.762 85 P CB -0.002 31.714 31.700 0.026 0.000 0.764 86 Q N 1.937 121.763 119.800 0.044 0.000 2.347 86 Q HA 0.283 4.623 4.340 -0.000 0.000 0.262 86 Q C -0.257 175.753 176.000 0.015 0.000 0.980 86 Q CA -0.465 55.358 55.803 0.034 0.000 0.867 86 Q CB 1.111 29.895 28.738 0.077 0.000 1.242 86 Q HN 0.335 nan 8.270 nan 0.000 0.453 87 T N 3.845 118.403 114.554 0.006 0.000 2.832 87 T HA 0.471 4.821 4.350 -0.000 0.000 0.296 87 T C -0.203 174.494 174.700 -0.005 0.000 0.968 87 T CA -0.082 62.024 62.100 0.010 0.000 1.107 87 T CB 0.265 69.146 68.868 0.022 0.000 0.916 87 T HN 0.338 nan 8.240 nan 0.000 0.517 88 L N 3.295 124.524 121.223 0.010 0.000 2.445 88 L HA 0.446 4.786 4.340 -0.000 0.000 0.262 88 L C -0.229 176.666 176.870 0.043 0.000 0.974 88 L CA -1.034 53.807 54.840 0.000 0.000 0.822 88 L CB 2.279 44.335 42.059 -0.004 0.000 1.339 88 L HN 0.567 nan 8.230 nan 0.000 0.409 89 N N 2.811 121.526 118.700 0.024 0.000 2.444 89 N HA 0.524 5.264 4.740 -0.000 0.000 0.271 89 N C -1.128 174.450 175.510 0.113 0.000 1.069 89 N CA -0.518 52.571 53.050 0.064 0.000 0.965 89 N CB 1.332 39.707 38.487 -0.188 0.000 1.092 89 N HN 0.254 nan 8.380 nan 0.000 0.476 90 I N 2.970 123.637 120.570 0.162 0.000 2.418 90 I HA 0.185 4.355 4.170 -0.000 0.000 0.287 90 I C -0.250 175.866 176.117 -0.002 0.000 1.008 90 I CA -0.858 60.500 61.300 0.096 0.000 1.104 90 I CB 1.357 39.411 38.000 0.091 0.000 1.264 90 I HN 0.434 nan 8.210 nan 0.000 0.438 91 L N 7.994 129.044 121.223 -0.289 0.000 2.559 91 L HA 0.063 4.403 4.340 -0.000 0.000 0.274 91 L C -0.103 176.601 176.870 -0.276 0.000 1.205 91 L CA 0.550 55.065 54.840 -0.541 0.000 0.907 91 L CB 0.474 41.782 42.059 -1.251 0.000 1.153 91 L HN 0.327 nan 8.230 nan 0.000 0.490 92 V N 5.354 125.163 119.914 -0.174 0.000 2.405 92 V HA 0.219 4.339 4.120 -0.000 0.000 0.264 92 V C -0.168 175.831 176.094 -0.158 0.000 1.048 92 V CA -0.286 61.917 62.300 -0.161 0.000 0.966 92 V CB 0.814 32.564 31.823 -0.123 0.000 1.015 92 V HN 0.790 nan 8.190 nan 0.000 0.477 93 D N 3.275 123.579 120.400 -0.160 0.000 2.469 93 D HA 0.248 4.888 4.640 -0.000 0.000 0.251 93 D C 1.045 177.300 176.300 -0.075 0.000 1.173 93 D CA -0.215 53.723 54.000 -0.103 0.000 0.882 93 D CB 1.865 42.617 40.800 -0.078 0.000 1.129 93 D HN 0.574 nan 8.370 nan 0.000 0.549 94 T N -0.080 114.437 114.554 -0.061 0.000 3.148 94 T HA 0.156 4.506 4.350 -0.000 0.000 0.253 94 T C 1.444 176.261 174.700 0.195 0.000 1.134 94 T CA 0.277 62.393 62.100 0.028 0.000 1.051 94 T CB 0.196 68.988 68.868 -0.127 0.000 0.959 94 T HN 0.305 nan 8.240 nan 0.000 0.525 95 G N 0.924 109.799 108.800 0.125 0.000 3.434 95 G HA2 0.462 4.422 3.960 -0.000 0.000 0.258 95 G HA3 0.462 4.422 3.960 -0.000 0.000 0.258 95 G C 0.187 175.189 174.900 0.170 0.000 1.128 95 G CA 0.043 45.253 45.100 0.182 0.000 0.792 95 G HN 0.754 nan 8.290 nan 0.000 0.539 96 S N -2.089 113.673 115.700 0.103 0.000 2.656 96 S HA 0.640 5.110 4.470 -0.000 0.000 0.273 96 S C -0.063 174.578 174.600 0.069 0.000 1.168 96 S CA -0.377 57.888 58.200 0.108 0.000 0.817 96 S CB 1.814 65.128 63.200 0.189 0.000 1.146 96 S HN -0.079 nan 8.310 nan 0.000 0.475 97 S N 0.227 115.982 115.700 0.092 0.000 2.780 97 S HA 0.373 4.843 4.470 -0.000 0.000 0.248 97 S C -0.529 174.162 174.600 0.151 0.000 1.036 97 S CA -0.423 57.827 58.200 0.084 0.000 1.061 97 S CB -0.316 62.908 63.200 0.041 0.000 1.037 97 S HN 0.691 nan 8.310 nan 0.000 0.584 98 N N 1.228 120.053 118.700 0.210 0.000 2.443 98 N HA 0.447 5.186 4.740 -0.000 0.000 0.295 98 N C -1.255 174.421 175.510 0.277 0.000 1.076 98 N CA -0.424 52.785 53.050 0.265 0.000 0.919 98 N CB 0.991 39.701 38.487 0.371 0.000 1.176 98 N HN 0.267 nan 8.380 nan 0.000 0.487 99 F N 1.832 121.831 119.950 0.080 0.000 2.371 99 F HA 0.653 5.180 4.527 -0.000 0.000 0.363 99 F C -0.500 175.268 175.800 -0.053 0.000 1.122 99 F CA -0.707 57.290 58.000 -0.006 0.000 1.129 99 F CB 0.313 39.318 39.000 0.009 0.000 1.173 99 F HN 0.460 nan 8.300 nan 0.000 0.489 100 A N 6.221 128.836 122.820 -0.341 0.000 2.422 100 A HA 0.725 5.045 4.320 -0.000 0.000 0.302 100 A C -1.442 175.841 177.584 -0.501 0.000 1.041 100 A CA -0.552 51.136 52.037 -0.582 0.000 0.708 100 A CB 1.605 19.977 19.000 -1.047 0.000 1.257 100 A HN 0.922 nan 8.150 nan 0.000 0.414 101 V N -0.107 119.554 119.914 -0.421 0.000 2.789 101 V HA 0.926 5.045 4.120 -0.000 0.000 0.311 101 V C 0.402 176.510 176.094 0.024 0.000 1.073 101 V CA -0.243 61.954 62.300 -0.172 0.000 0.921 101 V CB 1.255 32.907 31.823 -0.285 0.000 1.009 101 V HN 1.664 nan 8.190 nan 0.000 0.426 102 G N 1.821 110.736 108.800 0.191 0.000 2.353 102 G HA2 0.505 4.465 3.960 -0.000 0.000 0.239 102 G HA3 0.505 4.465 3.960 -0.000 0.000 0.239 102 G C 0.542 175.521 174.900 0.131 0.000 1.295 102 G CA 0.187 45.396 45.100 0.182 0.000 0.884 102 G HN 1.988 nan 8.290 nan 0.000 0.537 103 A N 1.264 124.116 122.820 0.053 0.000 2.624 103 A HA 0.785 5.105 4.320 -0.000 0.000 0.287 103 A C 0.666 178.104 177.584 -0.243 0.000 1.087 103 A CA 0.799 52.862 52.037 0.044 0.000 0.964 103 A CB 0.147 19.168 19.000 0.034 0.000 1.231 103 A HN 1.950 nan 8.150 nan 0.000 0.551 104 A N -0.223 122.242 122.820 -0.593 0.000 2.604 104 A HA 0.717 5.037 4.320 -0.000 0.000 0.295 104 A C -3.268 173.736 177.584 -0.967 0.000 1.067 104 A CA -1.320 50.188 52.037 -0.880 0.000 0.683 104 A CB 0.354 19.151 19.000 -0.338 0.000 1.281 104 A HN -0.006 nan 8.150 nan 0.000 0.407 105 P HA 0.129 nan 4.420 nan 0.000 0.263 105 P C -0.869 176.350 177.300 -0.136 0.000 1.175 105 P CA 1.002 63.911 63.100 -0.319 0.000 0.761 105 P CB 0.080 31.698 31.700 -0.137 0.000 0.794 106 H N 4.983 123.955 119.070 -0.163 0.000 2.947 106 H HA 0.167 4.723 4.556 0.000 0.000 0.354 106 H C -2.078 173.178 175.328 -0.119 0.000 1.085 106 H CA -1.920 54.034 56.048 -0.155 0.000 1.253 106 H CB 2.271 31.917 29.762 -0.194 0.000 1.757 106 H HN 0.248 nan 8.280 nan 0.000 0.523 107 P HA -0.104 nan 4.420 nan 0.000 0.222 107 P C 0.818 178.298 177.300 0.301 0.000 1.142 107 P CA 1.115 64.169 63.100 -0.077 0.000 0.788 107 P CB -0.064 31.499 31.700 -0.228 0.000 0.767 108 F N -0.975 119.172 119.950 0.328 0.000 2.727 108 F HA 0.237 4.764 4.527 -0.000 0.000 0.302 108 F C 1.210 176.966 175.800 -0.073 0.000 1.097 108 F CA -0.643 57.418 58.000 0.102 0.000 1.330 108 F CB 0.368 39.405 39.000 0.062 0.000 1.084 108 F HN -0.249 nan 8.300 nan 0.000 0.578 109 L N 1.448 122.730 121.223 0.100 0.000 2.307 109 L HA 0.238 4.578 4.340 -0.000 0.000 0.284 109 L C 1.009 177.908 176.870 0.049 0.000 1.023 109 L CA -0.619 54.176 54.840 -0.075 0.000 0.810 109 L CB 1.085 42.998 42.059 -0.243 0.000 1.231 109 L HN 0.164 nan 8.230 nan 0.000 0.423 110 H N 2.959 122.007 119.070 -0.036 0.000 2.549 110 H HA 0.286 4.842 4.556 -0.000 0.000 0.279 110 H C -0.214 175.093 175.328 -0.035 0.000 1.018 110 H CA -0.517 55.520 56.048 -0.019 0.000 1.175 110 H CB 0.503 30.245 29.762 -0.033 0.000 1.485 110 H HN 0.687 nan 8.280 nan 0.000 0.543 111 R N -0.286 120.024 120.500 -0.316 0.000 2.687 111 R HA 0.400 4.740 4.340 -0.000 0.000 0.265 111 R C -2.115 174.096 176.300 -0.149 0.000 1.048 111 R CA -0.968 54.950 56.100 -0.305 0.000 0.884 111 R CB 1.122 31.199 30.300 -0.371 0.000 1.258 111 R HN 0.095 nan 8.270 nan 0.000 0.469 112 Y N -1.137 119.088 120.300 -0.124 0.000 2.670 112 Y HA 0.508 5.058 4.550 -0.000 0.000 0.334 112 Y C -1.613 174.298 175.900 0.019 0.000 1.185 112 Y CA -1.760 56.296 58.100 -0.075 0.000 1.053 112 Y CB 0.641 39.051 38.460 -0.085 0.000 1.298 112 Y HN 0.592 nan 8.280 nan 0.000 0.459 113 Y N 2.919 123.292 120.300 0.123 0.000 2.496 113 Y HA 0.308 4.858 4.550 -0.000 0.000 0.334 113 Y C -0.529 175.421 175.900 0.084 0.000 1.080 113 Y CA -0.602 57.516 58.100 0.030 0.000 1.355 113 Y CB 0.679 39.126 38.460 -0.021 0.000 1.193 113 Y HN 0.678 nan 8.280 nan 0.000 0.523 114 Q N 7.338 127.077 119.800 -0.101 0.000 2.466 114 Q HA 0.274 4.614 4.340 -0.000 0.000 0.242 114 Q C 0.852 176.556 176.000 -0.493 0.000 1.046 114 Q CA -0.462 55.203 55.803 -0.229 0.000 0.841 114 Q CB 1.051 29.707 28.738 -0.138 0.000 1.193 114 Q HN 0.803 nan 8.270 nan 0.000 0.508 115 R N 1.113 121.116 120.500 -0.827 0.000 2.120 115 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 115 R C 2.031 178.025 176.300 -0.510 0.000 1.123 115 R CA 1.292 56.797 56.100 -0.991 0.000 0.975 115 R CB 0.086 29.488 30.300 -1.498 0.000 0.866 115 R HN 0.583 nan 8.270 nan 0.000 0.446 116 Q N 1.020 120.629 119.800 -0.318 0.000 2.437 116 Q HA -0.112 4.228 4.340 -0.000 0.000 0.210 116 Q C 1.362 177.314 176.000 -0.079 0.000 0.972 116 Q CA 1.346 57.063 55.803 -0.144 0.000 0.903 116 Q CB 0.009 28.690 28.738 -0.095 0.000 0.967 116 Q HN 0.439 nan 8.270 nan 0.000 0.486 117 L N 0.581 121.746 121.223 -0.096 0.000 2.640 117 L HA 0.267 4.607 4.340 -0.000 0.000 0.230 117 L C 0.738 177.612 176.870 0.007 0.000 1.123 117 L CA -0.222 54.595 54.840 -0.038 0.000 0.900 117 L CB 0.548 42.581 42.059 -0.044 0.000 1.146 117 L HN -0.025 nan 8.230 nan 0.000 0.484 118 S N -0.404 115.309 115.700 0.022 0.000 2.438 118 S HA 0.179 4.648 4.470 -0.000 0.000 0.316 118 S C 1.224 175.904 174.600 0.134 0.000 1.084 118 S CA -0.452 57.813 58.200 0.107 0.000 1.107 118 S CB 1.201 64.521 63.200 0.200 0.000 0.981 118 S HN 0.312 nan 8.310 nan 0.000 0.466 119 S N 3.010 118.773 115.700 0.105 0.000 2.481 119 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 119 S C 1.451 176.114 174.600 0.106 0.000 0.996 119 S CA 1.129 59.385 58.200 0.093 0.000 0.942 119 S CB -0.702 62.536 63.200 0.063 0.000 0.768 119 S HN 0.848 nan 8.310 nan 0.000 0.520 120 T N -2.396 112.237 114.554 0.131 0.000 3.086 120 T HA 0.217 4.567 4.350 -0.000 0.000 0.250 120 T C 0.238 175.034 174.700 0.160 0.000 1.074 120 T CA -0.621 61.552 62.100 0.121 0.000 0.988 120 T CB -0.716 68.216 68.868 0.107 0.000 0.988 120 T HN 0.401 nan 8.240 nan 0.000 0.530 121 Y N 3.377 123.731 120.300 0.090 0.000 2.620 121 Y HA 0.356 4.906 4.550 -0.000 0.000 0.330 121 Y C 0.107 176.051 175.900 0.072 0.000 1.186 121 Y CA -1.038 57.124 58.100 0.103 0.000 1.467 121 Y CB 0.317 38.818 38.460 0.069 0.000 1.262 121 Y HN 0.088 nan 8.280 nan 0.000 0.550 122 R N 4.870 124.965 120.500 -0.675 0.000 2.476 122 R HA 0.175 4.515 4.340 -0.000 0.000 0.305 122 R C -1.532 174.269 176.300 -0.833 0.000 0.965 122 R CA -1.025 54.704 56.100 -0.619 0.000 0.867 122 R CB 1.176 31.339 30.300 -0.228 0.000 1.176 122 R HN 0.625 nan 8.270 nan 0.000 0.447 123 D N 3.506 123.468 120.400 -0.731 0.000 2.317 123 D HA 0.077 4.716 4.640 -0.000 0.000 0.252 123 D C 0.694 176.926 176.300 -0.112 0.000 1.174 123 D CA -0.193 53.611 54.000 -0.326 0.000 0.866 123 D CB 1.103 41.845 40.800 -0.096 0.000 1.127 123 D HN 0.487 nan 8.370 nan 0.000 0.467 124 L N 3.609 124.817 121.223 -0.025 0.000 2.554 124 L HA 0.160 4.500 4.340 -0.000 0.000 0.226 124 L C 1.037 177.921 176.870 0.023 0.000 1.137 124 L CA -0.076 54.768 54.840 0.006 0.000 0.863 124 L CB -0.252 41.827 42.059 0.034 0.000 0.985 124 L HN 0.507 nan 8.230 nan 0.000 0.451 125 R N 0.443 120.965 120.500 0.035 0.000 3.525 125 R HA -0.202 4.138 4.340 -0.000 0.000 0.276 125 R C 0.013 176.336 176.300 0.039 0.000 1.116 125 R CA 0.691 56.814 56.100 0.037 0.000 0.745 125 R CB -1.694 28.619 30.300 0.021 0.000 1.185 125 R HN 0.293 nan 8.270 nan 0.000 0.454 126 K N -0.124 120.307 120.400 0.053 0.000 2.501 126 K HA 0.525 4.845 4.320 -0.000 0.000 0.252 126 K C -0.162 176.478 176.600 0.065 0.000 0.934 126 K CA -0.188 56.129 56.287 0.050 0.000 0.797 126 K CB 1.945 34.473 32.500 0.047 0.000 1.270 126 K HN 0.136 nan 8.250 nan 0.000 0.431 127 G N 1.039 109.872 108.800 0.054 0.000 2.462 127 G HA2 0.584 4.544 3.960 -0.000 0.000 0.319 127 G HA3 0.584 4.544 3.960 -0.000 0.000 0.319 127 G C -1.402 173.538 174.900 0.066 0.000 1.171 127 G CA -0.584 44.555 45.100 0.065 0.000 0.920 127 G HN 0.416 nan 8.290 nan 0.000 0.499 128 V N 0.599 120.563 119.914 0.084 0.000 2.733 128 V HA 0.627 4.747 4.120 -0.000 0.000 0.306 128 V C -2.082 174.006 176.094 -0.010 0.000 1.084 128 V CA -0.948 61.375 62.300 0.037 0.000 0.905 128 V CB 1.710 33.579 31.823 0.077 0.000 1.010 128 V HN 0.767 nan 8.190 nan 0.000 0.424 129 Y N 6.009 126.151 120.300 -0.263 0.000 2.326 129 Y HA 0.743 5.293 4.550 -0.000 0.000 0.331 129 Y C -0.853 174.708 175.900 -0.566 0.000 0.962 129 Y CA -1.030 56.852 58.100 -0.363 0.000 1.167 129 Y CB 2.002 40.329 38.460 -0.222 0.000 1.148 129 Y HN 0.428 nan 8.280 nan 0.000 0.463 130 V N 9.642 128.787 119.914 -1.282 0.000 2.305 130 V HA 0.377 4.497 4.120 -0.000 0.000 0.275 130 V C -2.488 172.718 176.094 -1.479 0.000 1.020 130 V CA -1.506 59.905 62.300 -1.482 0.000 0.811 130 V CB 1.228 31.870 31.823 -1.968 0.000 1.031 130 V HN 0.658 nan 8.190 nan 0.000 0.439 131 P HA 0.446 nan 4.420 nan 0.000 0.300 131 P C -1.438 175.519 177.300 -0.572 0.000 1.356 131 P CA -0.329 62.261 63.100 -0.849 0.000 0.823 131 P CB 1.295 32.542 31.700 -0.755 0.000 0.934 132 Y N 0.437 120.626 120.300 -0.186 0.000 2.565 132 Y HA 0.398 4.948 4.550 -0.000 0.000 0.325 132 Y C 1.768 177.650 175.900 -0.029 0.000 1.221 132 Y CA -0.436 57.620 58.100 -0.073 0.000 1.316 132 Y CB 0.484 38.946 38.460 0.003 0.000 1.404 132 Y HN 0.221 nan 8.280 nan 0.000 0.527 137 W N 1.826 122.955 121.300 -0.286 0.000 3.127 137 W HA 0.673 5.333 4.660 -0.000 0.000 0.330 137 W C -1.336 175.112 176.519 -0.118 0.000 1.187 137 W CA -0.696 56.477 57.345 -0.286 0.000 1.198 137 W CB 1.424 30.484 29.460 -0.668 0.000 1.408 137 W HN 0.597 nan 8.180 nan 0.000 0.529 138 E N 1.474 121.882 120.200 0.347 0.000 2.210 138 E HA 0.676 5.026 4.350 -0.000 0.000 0.266 138 E C -0.494 176.328 176.600 0.371 0.000 0.883 138 E CA -0.332 56.246 56.400 0.296 0.000 0.761 138 E CB 1.888 31.701 29.700 0.189 0.000 1.156 138 E HN 0.787 nan 8.360 nan 0.000 0.412 139 G N 2.600 111.617 108.800 0.362 0.000 2.766 139 G HA2 0.498 4.458 3.960 -0.000 0.000 0.288 139 G HA3 0.498 4.458 3.960 -0.000 0.000 0.288 139 G C -1.219 173.802 174.900 0.201 0.000 1.408 139 G CA -0.756 44.528 45.100 0.307 0.000 0.852 139 G HN 0.498 nan 8.290 nan 0.000 0.487 140 E N 0.089 120.387 120.200 0.163 0.000 2.176 140 E HA 0.394 4.744 4.350 -0.000 0.000 0.267 140 E C -0.552 176.147 176.600 0.165 0.000 0.893 140 E CA -0.483 56.001 56.400 0.139 0.000 0.761 140 E CB 2.506 32.271 29.700 0.109 0.000 1.133 140 E HN 0.240 nan 8.360 nan 0.000 0.409 141 L N 2.247 123.563 121.223 0.155 0.000 2.371 141 L HA 0.635 4.975 4.340 -0.000 0.000 0.272 141 L C 0.721 177.692 176.870 0.169 0.000 1.124 141 L CA -0.067 54.868 54.840 0.157 0.000 0.816 141 L CB 0.866 43.000 42.059 0.126 0.000 1.129 141 L HN 0.696 nan 8.230 nan 0.000 0.448 142 G N 0.550 109.462 108.800 0.186 0.000 2.548 142 G HA2 0.600 4.560 3.960 -0.000 0.000 0.301 142 G HA3 0.600 4.560 3.960 -0.000 0.000 0.301 142 G C -1.265 173.729 174.900 0.157 0.000 1.349 142 G CA -0.111 45.085 45.100 0.160 0.000 0.792 142 G HN 0.586 nan 8.290 nan 0.000 0.481 143 T N -2.076 112.541 114.554 0.105 0.000 2.906 143 T HA 0.777 5.127 4.350 -0.000 0.000 0.295 143 T C -1.491 173.316 174.700 0.178 0.000 1.075 143 T CA -0.610 61.570 62.100 0.134 0.000 1.005 143 T CB 2.930 71.843 68.868 0.074 0.000 1.136 143 T HN 0.746 nan 8.240 nan 0.000 0.498 144 D N -0.225 120.291 120.400 0.193 0.000 2.725 144 D HA 0.314 4.954 4.640 -0.000 0.000 0.292 144 D C -1.120 175.277 176.300 0.161 0.000 1.288 144 D CA -0.687 53.438 54.000 0.209 0.000 0.784 144 D CB 1.587 42.584 40.800 0.328 0.000 1.308 144 D HN 0.702 nan 8.370 nan 0.000 0.429 145 L N 1.009 122.315 121.223 0.138 0.000 2.331 145 L HA 0.500 4.840 4.340 -0.000 0.000 0.278 145 L C -0.125 176.814 176.870 0.115 0.000 1.106 145 L CA -0.577 54.329 54.840 0.110 0.000 0.824 145 L CB 1.111 43.221 42.059 0.084 0.000 1.142 145 L HN 0.091 nan 8.230 nan 0.000 0.443 146 V N 2.197 122.187 119.914 0.127 0.000 2.735 146 V HA 0.579 4.699 4.120 -0.000 0.000 0.310 146 V C -0.216 175.936 176.094 0.096 0.000 1.061 146 V CA -0.421 61.951 62.300 0.120 0.000 0.913 146 V CB 2.079 34.007 31.823 0.175 0.000 1.005 146 V HN 0.846 nan 8.190 nan 0.000 0.428 147 S N 3.591 119.317 115.700 0.043 0.000 2.627 147 S HA 0.738 5.208 4.470 -0.000 0.000 0.283 147 S C -0.855 173.740 174.600 -0.008 0.000 1.127 147 S CA -0.585 57.634 58.200 0.032 0.000 0.863 147 S CB 2.016 65.228 63.200 0.021 0.000 1.121 147 S HN 0.552 nan 8.310 nan 0.000 0.479 148 I N 2.446 123.016 120.570 0.000 0.000 2.437 148 I HA 0.281 4.451 4.170 -0.000 0.000 0.279 148 I C -2.080 174.021 176.117 -0.027 0.000 1.028 148 I CA -2.177 59.114 61.300 -0.015 0.000 1.142 148 I CB 1.890 39.893 38.000 0.005 0.000 1.266 148 I HN 0.380 nan 8.210 nan 0.000 0.461 149 P HA -0.192 nan 4.420 nan 0.000 0.216 149 P C 0.537 177.610 177.300 -0.378 0.000 1.154 149 P CA 1.578 64.540 63.100 -0.230 0.000 0.865 149 P CB 0.054 31.598 31.700 -0.260 0.000 0.789 150 H N -1.533 117.561 119.070 0.041 0.000 2.533 150 H HA 0.512 5.068 4.556 -0.000 0.000 0.281 150 H C 0.920 176.281 175.328 0.056 0.000 1.238 150 H CA 0.072 56.149 56.048 0.049 0.000 1.024 150 H CB 0.002 29.791 29.762 0.046 0.000 1.604 150 H HN 0.119 nan 8.280 nan 0.000 0.531 151 G N 0.584 109.442 108.800 0.096 0.000 2.976 151 G HA2 0.296 4.256 3.960 -0.000 0.000 0.276 151 G HA3 0.296 4.256 3.960 -0.000 0.000 0.276 151 G C -2.702 172.252 174.900 0.091 0.000 1.207 151 G CA -1.275 43.886 45.100 0.102 0.000 0.803 151 G HN -0.074 nan 8.290 nan 0.000 0.572 152 P HA 0.102 nan 4.420 nan 0.000 0.264 152 P C -0.449 176.884 177.300 0.055 0.000 1.183 152 P CA 0.183 63.332 63.100 0.081 0.000 0.763 152 P CB 0.459 32.195 31.700 0.060 0.000 0.807 153 N N 3.393 122.124 118.700 0.052 0.000 2.971 153 N HA 0.207 4.947 4.740 -0.000 0.000 0.294 153 N C -0.832 174.695 175.510 0.028 0.000 1.210 153 N CA -0.113 52.956 53.050 0.032 0.000 1.157 153 N CB -0.613 37.892 38.487 0.030 0.000 1.450 153 N HN 0.091 nan 8.380 nan 0.000 0.527 154 V N -1.544 118.385 119.914 0.025 0.000 3.147 154 V HA 0.697 4.817 4.120 -0.000 0.000 0.306 154 V C -0.330 175.776 176.094 0.020 0.000 1.209 154 V CA -0.847 61.465 62.300 0.018 0.000 1.023 154 V CB 1.806 33.633 31.823 0.006 0.000 1.059 154 V HN 0.118 nan 8.190 nan 0.000 0.435 155 T N 2.037 116.601 114.554 0.016 0.000 2.824 155 T HA 0.756 5.106 4.350 -0.000 0.000 0.282 155 T C -0.674 174.033 174.700 0.012 0.000 0.993 155 T CA -0.412 61.703 62.100 0.026 0.000 0.967 155 T CB 1.562 70.447 68.868 0.029 0.000 0.960 155 T HN 0.827 nan 8.240 nan 0.000 0.441 156 V N 2.942 122.870 119.914 0.025 0.000 2.769 156 V HA 0.561 4.681 4.120 -0.000 0.000 0.312 156 V C 0.095 176.210 176.094 0.036 0.000 1.061 156 V CA -1.193 61.099 62.300 -0.013 0.000 0.931 156 V CB 2.118 33.871 31.823 -0.116 0.000 1.010 156 V HN 0.739 nan 8.190 nan 0.000 0.433 157 R N 2.468 122.977 120.500 0.016 0.000 2.202 157 R HA 0.711 5.050 4.340 -0.000 0.000 0.334 157 R C -0.420 175.915 176.300 0.058 0.000 1.036 157 R CA 0.049 56.180 56.100 0.051 0.000 0.878 157 R CB 0.760 31.081 30.300 0.035 0.000 1.067 157 R HN 0.939 nan 8.270 nan 0.000 0.457 158 A N 4.055 126.955 122.820 0.134 0.000 2.479 158 A HA 0.442 4.762 4.320 -0.000 0.000 0.296 158 A C -1.052 176.668 177.584 0.227 0.000 1.121 158 A CA -1.081 51.064 52.037 0.180 0.000 0.743 158 A CB 1.305 20.493 19.000 0.314 0.000 1.323 158 A HN 0.778 nan 8.150 nan 0.000 0.415 159 N N 0.407 119.243 118.700 0.226 0.000 2.513 159 N HA 0.385 5.125 4.740 -0.000 0.000 0.268 159 N C -0.929 174.747 175.510 0.277 0.000 1.180 159 N CA 0.633 53.812 53.050 0.215 0.000 0.948 159 N CB 0.700 39.294 38.487 0.179 0.000 1.083 159 N HN 0.508 nan 8.380 nan 0.000 0.455 160 I N 0.817 121.496 120.570 0.182 0.000 2.534 160 I HA 0.313 4.483 4.170 -0.000 0.000 0.288 160 I C -0.419 175.729 176.117 0.052 0.000 1.077 160 I CA -0.989 60.329 61.300 0.029 0.000 1.051 160 I CB 1.977 39.946 38.000 -0.052 0.000 1.234 160 I HN 0.373 nan 8.210 nan 0.000 0.425 161 A N 5.018 127.812 122.820 -0.044 0.000 2.252 161 A HA 0.775 5.095 4.320 -0.000 0.000 0.309 161 A C 0.161 177.711 177.584 -0.057 0.000 1.285 161 A CA -0.452 51.603 52.037 0.030 0.000 0.900 161 A CB 0.619 19.677 19.000 0.097 0.000 1.157 161 A HN 0.795 nan 8.150 nan 0.000 0.536 162 A N 4.058 126.923 122.820 0.075 0.000 2.343 162 A HA 0.533 4.853 4.320 -0.000 0.000 0.305 162 A C 0.110 177.724 177.584 0.051 0.000 1.308 162 A CA -0.308 51.781 52.037 0.086 0.000 0.949 162 A CB -0.456 18.607 19.000 0.106 0.000 1.148 162 A HN 0.771 nan 8.150 nan 0.000 0.545 163 I N 3.482 124.051 120.570 -0.003 0.000 2.505 163 I HA 0.045 4.215 4.170 -0.000 0.000 0.287 163 I C 1.551 177.723 176.117 0.092 0.000 1.104 163 I CA 0.387 61.715 61.300 0.047 0.000 1.387 163 I CB 0.971 38.961 38.000 -0.016 0.000 1.404 163 I HN 0.842 nan 8.210 nan 0.000 0.528 164 T N 1.175 115.794 114.554 0.107 0.000 2.990 164 T HA 0.283 4.633 4.350 -0.000 0.000 0.249 164 T C 0.471 175.222 174.700 0.084 0.000 1.039 164 T CA -0.107 62.029 62.100 0.059 0.000 1.036 164 T CB 0.292 69.182 68.868 0.037 0.000 0.994 164 T HN 0.568 nan 8.240 nan 0.000 0.489 165 E N 1.063 121.346 120.200 0.138 0.000 2.343 165 E HA 0.593 4.943 4.350 -0.000 0.000 0.278 165 E C -1.422 175.297 176.600 0.200 0.000 0.910 165 E CA -0.833 55.654 56.400 0.145 0.000 0.757 165 E CB 2.425 32.182 29.700 0.094 0.000 1.218 165 E HN 0.391 nan 8.360 nan 0.000 0.435 166 S N 1.266 117.097 115.700 0.218 0.000 2.570 166 S HA 0.587 5.057 4.470 -0.000 0.000 0.270 166 S C -1.624 173.106 174.600 0.216 0.000 1.149 166 S CA -1.003 57.330 58.200 0.222 0.000 0.837 166 S CB 2.237 65.557 63.200 0.200 0.000 1.124 166 S HN 0.442 nan 8.310 nan 0.000 0.465 167 D N 0.532 121.056 120.400 0.207 0.000 2.575 167 D HA 0.387 5.027 4.640 -0.000 0.000 0.250 167 D C -0.434 175.994 176.300 0.214 0.000 1.279 167 D CA -0.408 53.702 54.000 0.183 0.000 0.925 167 D CB 0.694 41.579 40.800 0.142 0.000 1.261 167 D HN 0.736 nan 8.370 nan 0.000 0.567 168 K N 1.929 122.460 120.400 0.218 0.000 3.193 168 K HA -0.268 4.052 4.320 -0.000 0.000 0.294 168 K C 0.569 177.323 176.600 0.256 0.000 1.185 168 K CA 0.681 57.103 56.287 0.224 0.000 0.866 168 K CB -1.478 31.131 32.500 0.182 0.000 1.227 168 K HN 0.415 nan 8.250 nan 0.000 0.467 169 F N 0.702 120.691 119.950 0.065 0.000 2.104 169 F HA 0.163 4.690 4.527 -0.000 0.000 0.288 169 F C 0.883 176.647 175.800 -0.060 0.000 1.107 169 F CA 0.513 58.502 58.000 -0.018 0.000 1.208 169 F CB 0.087 38.976 39.000 -0.185 0.000 1.033 169 F HN -0.046 nan 8.300 nan 0.000 0.478 170 F N 1.679 121.601 119.950 -0.046 0.000 2.506 170 F HA 0.206 4.733 4.527 -0.000 0.000 0.351 170 F C 0.156 175.878 175.800 -0.130 0.000 1.136 170 F CA -0.082 57.704 58.000 -0.356 0.000 1.298 170 F CB 0.135 38.876 39.000 -0.432 0.000 1.145 170 F HN -0.245 nan 8.300 nan 0.000 0.593 171 I N 2.566 122.977 120.570 -0.266 0.000 2.362 171 I HA 0.124 4.294 4.170 -0.000 0.000 0.289 171 I C -0.006 175.824 176.117 -0.479 0.000 0.994 171 I CA -0.620 60.531 61.300 -0.249 0.000 1.158 171 I CB 1.350 39.193 38.000 -0.262 0.000 1.315 171 I HN 0.607 nan 8.210 nan 0.000 0.451 172 N N 4.949 123.127 118.700 -0.870 0.000 2.411 172 N HA 0.034 4.774 4.740 -0.000 0.000 0.265 172 N C 1.041 176.221 175.510 -0.550 0.000 1.266 172 N CA 1.013 53.355 53.050 -1.180 0.000 0.889 172 N CB 0.427 37.958 38.487 -1.592 0.000 1.069 172 N HN 1.003 nan 8.380 nan 0.000 0.476 173 G N 1.846 110.401 108.800 -0.408 0.000 2.157 173 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.248 173 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.248 173 G C 0.858 175.621 174.900 -0.229 0.000 0.979 173 G CA 0.521 45.466 45.100 -0.259 0.000 0.650 173 G HN 0.761 nan 8.290 nan 0.000 0.529 174 S N -0.065 115.430 115.700 -0.341 0.000 2.453 174 S HA 0.036 4.506 4.470 -0.000 0.000 0.231 174 S C 1.369 175.811 174.600 -0.264 0.000 1.005 174 S CA 1.298 59.306 58.200 -0.320 0.000 0.949 174 S CB -0.178 62.588 63.200 -0.723 0.000 0.774 174 S HN 1.697 nan 8.310 nan 0.000 0.510 175 N N 0.433 118.935 118.700 -0.330 0.000 2.909 175 N HA -0.127 4.613 4.740 -0.000 0.000 0.242 175 N C -0.335 174.893 175.510 -0.470 0.000 0.975 175 N CA 1.438 54.316 53.050 -0.288 0.000 0.921 175 N CB -1.919 36.470 38.487 -0.163 0.000 1.112 175 N HN 0.889 nan 8.380 nan 0.000 0.581 176 W N -0.375 120.656 121.300 -0.447 0.000 2.570 176 W HA 0.678 5.338 4.660 0.000 0.000 0.337 176 W C 0.087 176.492 176.519 -0.189 0.000 1.067 176 W CA -0.638 56.469 57.345 -0.396 0.000 1.229 176 W CB 0.608 29.886 29.460 -0.304 0.000 1.355 176 W HN -0.015 nan 8.180 nan 0.000 0.555 177 E N 1.548 121.876 120.200 0.213 0.000 2.562 177 E HA 0.336 4.686 4.350 -0.000 0.000 0.214 177 E C 0.594 177.404 176.600 0.349 0.000 0.979 177 E CA 0.006 56.472 56.400 0.110 0.000 1.002 177 E CB 1.434 31.083 29.700 -0.085 0.000 1.048 177 E HN 0.632 nan 8.360 nan 0.000 0.488 178 G N 0.179 109.252 108.800 0.455 0.000 2.645 178 G HA2 0.615 4.575 3.960 -0.000 0.000 0.292 178 G HA3 0.615 4.575 3.960 -0.000 0.000 0.292 178 G C -1.788 173.195 174.900 0.137 0.000 1.415 178 G CA -0.685 44.589 45.100 0.290 0.000 0.785 178 G HN 0.065 nan 8.290 nan 0.000 0.483 179 I N -0.314 120.288 120.570 0.053 0.000 2.582 179 I HA 0.647 4.817 4.170 -0.000 0.000 0.292 179 I C -1.602 174.577 176.117 0.103 0.000 1.066 179 I CA -1.215 60.065 61.300 -0.034 0.000 1.053 179 I CB 2.115 40.146 38.000 0.051 0.000 1.241 179 I HN 0.435 nan 8.210 nan 0.000 0.421 180 L N 7.759 128.991 121.223 0.015 0.000 2.313 180 L HA 0.607 4.947 4.340 -0.000 0.000 0.273 180 L C 0.010 176.861 176.870 -0.032 0.000 1.028 180 L CA -0.102 54.736 54.840 -0.003 0.000 0.871 180 L CB 0.892 42.824 42.059 -0.212 0.000 1.242 180 L HN 0.627 nan 8.230 nan 0.000 0.434 181 G N 5.195 114.034 108.800 0.065 0.000 2.372 181 G HA2 0.350 4.310 3.960 -0.000 0.000 0.286 181 G HA3 0.350 4.310 3.960 -0.000 0.000 0.286 181 G C 0.532 175.439 174.900 0.012 0.000 1.153 181 G CA -0.371 44.761 45.100 0.055 0.000 0.985 181 G HN 0.740 nan 8.290 nan 0.000 0.429 182 L N 1.934 123.115 121.223 -0.070 0.000 2.592 182 L HA 0.226 4.566 4.340 -0.000 0.000 0.227 182 L C 1.966 178.815 176.870 -0.036 0.000 1.127 182 L CA -0.083 54.671 54.840 -0.142 0.000 0.884 182 L CB -0.138 41.633 42.059 -0.479 0.000 1.065 182 L HN 0.575 nan 8.230 nan 0.000 0.457 183 A N -0.845 121.942 122.820 -0.056 0.000 2.275 183 A HA 0.365 4.684 4.320 -0.000 0.000 0.282 183 A C -0.593 176.778 177.584 -0.355 0.000 1.275 183 A CA -0.207 51.637 52.037 -0.323 0.000 0.842 183 A CB -0.028 18.848 19.000 -0.207 0.000 1.280 183 A HN 0.090 nan 8.150 nan 0.000 0.508 184 Y N -1.509 118.688 120.300 -0.173 0.000 2.300 184 Y HA 0.385 4.935 4.550 -0.000 0.000 0.328 184 Y C 1.655 177.546 175.900 -0.016 0.000 1.270 184 Y CA 0.291 58.355 58.100 -0.060 0.000 1.352 184 Y CB 0.768 39.196 38.460 -0.054 0.000 1.286 184 Y HN 0.656 nan 8.280 nan 0.000 0.536 185 A N 0.807 123.747 122.820 0.199 0.000 2.024 185 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 185 A C 1.990 179.630 177.584 0.094 0.000 1.164 185 A CA 1.830 53.940 52.037 0.121 0.000 0.643 185 A CB -0.745 18.321 19.000 0.110 0.000 0.806 185 A HN 0.956 nan 8.150 nan 0.000 0.451 186 E N 0.215 120.482 120.200 0.111 0.000 2.209 186 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 186 E C 1.481 178.125 176.600 0.072 0.000 0.993 186 E CA 1.473 57.924 56.400 0.086 0.000 0.819 186 E CB -0.230 29.532 29.700 0.103 0.000 0.745 186 E HN 0.850 nan 8.360 nan 0.000 0.477 187 I N -2.659 117.929 120.570 0.030 0.000 3.941 187 I HA 0.409 4.579 4.170 -0.000 0.000 0.335 187 I C 0.454 176.562 176.117 -0.014 0.000 1.402 187 I CA -0.626 60.649 61.300 -0.042 0.000 1.112 187 I CB 0.479 38.310 38.000 -0.283 0.000 1.043 187 I HN -0.109 nan 8.210 nan 0.000 0.395 188 A N 2.015 124.851 122.820 0.027 0.000 2.407 188 A HA 0.590 4.910 4.320 -0.000 0.000 0.248 188 A C 0.084 177.685 177.584 0.028 0.000 1.082 188 A CA -0.325 51.743 52.037 0.051 0.000 0.785 188 A CB 0.404 19.450 19.000 0.076 0.000 1.020 188 A HN 0.337 nan 8.150 nan 0.000 0.489 189 R N 2.389 122.902 120.500 0.023 0.000 2.474 189 R HA 0.368 4.708 4.340 -0.000 0.000 0.295 189 R C -2.109 174.200 176.300 0.015 0.000 0.980 189 R CA -2.329 53.753 56.100 -0.031 0.000 0.934 189 R CB 1.003 31.213 30.300 -0.150 0.000 1.101 189 R HN 0.597 nan 8.270 nan 0.000 0.469 190 P HA -0.045 nan 4.420 nan 0.000 0.236 190 P C -0.727 176.568 177.300 -0.008 0.000 1.177 190 P CA 0.770 63.857 63.100 -0.022 0.000 0.773 190 P CB 0.576 32.270 31.700 -0.009 0.000 0.878 191 D N -1.893 118.515 120.400 0.012 0.000 2.713 191 D HA 0.050 4.690 4.640 -0.000 0.000 0.306 191 D C -0.054 176.265 176.300 0.030 0.000 1.299 191 D CA -0.628 53.382 54.000 0.017 0.000 0.823 191 D CB -0.357 40.452 40.800 0.014 0.000 1.353 191 D HN -0.319 nan 8.370 nan 0.000 0.447 192 D N -0.791 119.628 120.400 0.031 0.000 2.392 192 D HA -0.104 4.536 4.640 -0.000 0.000 0.228 192 D C 1.241 177.566 176.300 0.042 0.000 1.003 192 D CA 0.942 54.966 54.000 0.040 0.000 0.917 192 D CB -0.421 40.401 40.800 0.037 0.000 0.890 192 D HN 0.298 nan 8.370 nan 0.000 0.532 193 S N -0.721 115.001 115.700 0.036 0.000 2.527 193 S HA -0.002 4.468 4.470 -0.000 0.000 0.222 193 S C 0.779 175.406 174.600 0.046 0.000 0.985 193 S CA -0.566 57.655 58.200 0.036 0.000 0.921 193 S CB -0.394 62.823 63.200 0.028 0.000 0.772 193 S HN 0.228 nan 8.310 nan 0.000 0.529 194 L N 3.311 124.568 121.223 0.057 0.000 2.312 194 L HA 0.398 4.738 4.340 -0.000 0.000 0.287 194 L C 0.117 177.038 176.870 0.084 0.000 1.091 194 L CA -0.432 54.453 54.840 0.074 0.000 0.846 194 L CB 0.198 42.309 42.059 0.087 0.000 1.219 194 L HN 0.267 nan 8.230 nan 0.000 0.439 195 E N 6.488 126.733 120.200 0.075 0.000 2.493 195 E HA 0.072 4.422 4.350 -0.000 0.000 0.255 195 E C -2.139 174.520 176.600 0.099 0.000 0.999 195 E CA -1.333 55.110 56.400 0.073 0.000 0.934 195 E CB 0.560 30.287 29.700 0.045 0.000 0.940 195 E HN 0.461 nan 8.360 nan 0.000 0.473 196 P HA -0.052 nan 4.420 nan 0.000 0.269 196 P C -0.072 177.307 177.300 0.130 0.000 1.215 196 P CA -0.107 63.077 63.100 0.141 0.000 0.780 196 P CB 0.374 32.147 31.700 0.122 0.000 0.898 197 F N 2.521 122.496 119.950 0.040 0.000 2.091 197 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 197 F C 1.880 177.652 175.800 -0.046 0.000 1.103 197 F CA 1.585 59.557 58.000 -0.047 0.000 1.228 197 F CB -0.686 38.193 39.000 -0.203 0.000 0.984 197 F HN 0.259 nan 8.300 nan 0.000 0.477 198 F N 1.189 121.045 119.950 -0.157 0.000 2.293 198 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 198 F C 1.886 177.553 175.800 -0.221 0.000 1.086 198 F CA 1.921 59.776 58.000 -0.242 0.000 1.375 198 F CB -0.555 38.403 39.000 -0.071 0.000 1.045 198 F HN 0.001 nan 8.300 nan 0.000 0.516 199 D N -0.885 119.515 120.400 0.001 0.000 2.144 199 D HA -0.157 4.483 4.640 -0.000 0.000 0.200 199 D C 2.350 178.553 176.300 -0.162 0.000 0.978 199 D CA 1.581 55.571 54.000 -0.017 0.000 0.833 199 D CB -0.184 40.651 40.800 0.057 0.000 0.961 199 D HN 0.149 nan 8.370 nan 0.000 0.470 200 S N 0.205 115.760 115.700 -0.242 0.000 2.383 200 S HA -0.096 4.374 4.470 -0.000 0.000 0.227 200 S C 1.737 176.104 174.600 -0.387 0.000 1.026 200 S CA 0.259 58.300 58.200 -0.264 0.000 0.981 200 S CB -0.227 62.831 63.200 -0.237 0.000 0.818 200 S HN 0.166 nan 8.310 nan 0.000 0.472 201 L N 2.114 122.945 121.223 -0.653 0.000 1.989 201 L HA -0.053 4.287 4.340 -0.000 0.000 0.211 201 L C 2.178 178.768 176.870 -0.467 0.000 1.071 201 L CA 1.773 56.207 54.840 -0.676 0.000 0.749 201 L CB -0.828 40.626 42.059 -1.007 0.000 0.890 201 L HN 0.148 nan 8.230 nan 0.000 0.431 202 V N -0.237 119.393 119.914 -0.473 0.000 2.515 202 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 202 V C 2.600 178.580 176.094 -0.192 0.000 1.058 202 V CA 1.946 64.074 62.300 -0.286 0.000 1.064 202 V CB -0.775 30.942 31.823 -0.177 0.000 0.675 202 V HN 0.530 nan 8.190 nan 0.000 0.461 203 K N -0.085 120.208 120.400 -0.178 0.000 2.155 203 K HA -0.134 4.186 4.320 -0.000 0.000 0.203 203 K C 2.011 178.522 176.600 -0.149 0.000 1.052 203 K CA 1.226 57.434 56.287 -0.132 0.000 0.948 203 K CB 0.033 32.474 32.500 -0.097 0.000 0.728 203 K HN 0.512 nan 8.250 nan 0.000 0.448 204 Q N 0.073 119.771 119.800 -0.170 0.000 2.392 204 Q HA 0.026 4.365 4.340 -0.000 0.000 0.203 204 Q C 0.228 176.136 176.000 -0.153 0.000 0.917 204 Q CA 0.587 56.303 55.803 -0.146 0.000 0.939 204 Q CB 1.142 29.804 28.738 -0.127 0.000 1.063 204 Q HN 0.356 nan 8.270 nan 0.000 0.516 205 T N -4.202 110.239 114.554 -0.188 0.000 2.669 205 T HA 0.284 4.634 4.350 -0.000 0.000 0.283 205 T C -0.063 174.499 174.700 -0.230 0.000 1.019 205 T CA -0.747 61.266 62.100 -0.145 0.000 1.039 205 T CB 0.806 69.626 68.868 -0.080 0.000 1.374 205 T HN 0.006 nan 8.240 nan 0.000 0.523 206 H N -0.991 118.058 119.070 -0.035 0.000 2.529 206 H HA 0.473 5.029 4.556 -0.000 0.000 0.277 206 H C 0.341 175.666 175.328 -0.004 0.000 1.004 206 H CA -0.200 55.840 56.048 -0.014 0.000 1.167 206 H CB -0.103 29.660 29.762 0.002 0.000 1.445 206 H HN 0.291 nan 8.280 nan 0.000 0.554 207 V N 3.220 123.162 119.914 0.047 0.000 2.509 207 V HA -0.010 4.109 4.120 -0.000 0.000 0.297 207 V C -1.773 174.346 176.094 0.040 0.000 1.014 207 V CA -1.200 61.121 62.300 0.034 0.000 1.127 207 V CB 0.385 32.175 31.823 -0.055 0.000 0.925 207 V HN 0.180 nan 8.190 nan 0.000 0.480 208 P HA -0.024 nan 4.420 nan 0.000 0.265 208 P C 0.016 177.424 177.300 0.179 0.000 1.187 208 P CA 0.101 63.277 63.100 0.126 0.000 0.766 208 P CB 0.235 32.019 31.700 0.141 0.000 0.820 209 N N 3.917 122.731 118.700 0.190 0.000 2.819 209 N HA 0.212 4.952 4.740 -0.000 0.000 0.284 209 N C -0.997 174.703 175.510 0.317 0.000 1.196 209 N CA 0.355 53.601 53.050 0.326 0.000 1.114 209 N CB -1.028 37.606 38.487 0.244 0.000 1.437 209 N HN 0.308 nan 8.380 nan 0.000 0.518 210 L N 2.286 123.744 121.223 0.391 0.000 2.700 210 L HA 0.487 4.826 4.340 -0.000 0.000 0.255 210 L C -1.866 175.122 176.870 0.197 0.000 0.933 210 L CA -0.890 54.035 54.840 0.142 0.000 0.920 210 L CB 0.841 42.932 42.059 0.054 0.000 1.472 210 L HN 0.208 nan 8.230 nan 0.000 0.426 211 F N 1.579 121.471 119.950 -0.096 0.000 2.626 211 F HA 0.916 5.443 4.527 -0.000 0.000 0.311 211 F C -0.888 174.851 175.800 -0.101 0.000 1.088 211 F CA -0.570 57.367 58.000 -0.105 0.000 0.949 211 F CB 1.840 40.719 39.000 -0.201 0.000 1.322 211 F HN 0.441 nan 8.300 nan 0.000 0.461 212 S N 2.007 117.729 115.700 0.037 0.000 2.548 212 S HA 0.851 5.321 4.470 -0.000 0.000 0.286 212 S C -1.544 173.098 174.600 0.070 0.000 1.098 212 S CA -0.820 57.298 58.200 -0.137 0.000 0.930 212 S CB 1.775 64.730 63.200 -0.408 0.000 1.070 212 S HN 0.858 nan 8.310 nan 0.000 0.480 213 L N 2.072 123.309 121.223 0.023 0.000 2.362 213 L HA 0.581 4.921 4.340 -0.000 0.000 0.275 213 L C -0.340 176.627 176.870 0.161 0.000 0.998 213 L CA -0.444 54.465 54.840 0.115 0.000 0.820 213 L CB 2.006 44.140 42.059 0.125 0.000 1.270 213 L HN 0.781 nan 8.230 nan 0.000 0.415 214 Q N 4.764 124.669 119.800 0.176 0.000 2.401 214 Q HA 0.498 4.838 4.340 -0.000 0.000 0.260 214 Q C -1.697 174.258 176.000 -0.075 0.000 1.034 214 Q CA -0.546 55.342 55.803 0.142 0.000 0.737 214 Q CB 1.349 30.160 28.738 0.123 0.000 1.227 214 Q HN 0.628 nan 8.270 nan 0.000 0.488 215 L N 3.303 124.415 121.223 -0.185 0.000 2.275 215 L HA 0.503 4.843 4.340 -0.000 0.000 0.288 215 L C -0.671 176.007 176.870 -0.319 0.000 1.046 215 L CA -0.874 53.647 54.840 -0.532 0.000 0.805 215 L CB 1.419 43.021 42.059 -0.762 0.000 1.193 215 L HN 0.667 nan 8.230 nan 0.000 0.426 216 c N 3.108 121.565 118.600 -0.239 0.000 2.264 216 c HA 0.512 5.082 4.570 -0.000 0.000 0.322 216 c C 1.036 175.159 174.090 0.055 0.000 1.210 216 c CA -0.974 55.324 56.329 -0.052 0.000 1.539 216 c CB 0.129 42.621 42.510 -0.029 0.000 2.167 216 c HN 0.925 nan 8.230 nan 0.000 0.463 217 G N 1.824 110.643 108.800 0.031 0.000 2.432 217 G HA2 0.453 4.413 3.960 -0.000 0.000 0.257 217 G HA3 0.453 4.413 3.960 -0.000 0.000 0.257 217 G C 0.804 175.635 174.900 -0.115 0.000 1.238 217 G CA 0.210 45.324 45.100 0.022 0.000 0.838 217 G HN 0.973 nan 8.290 nan 0.000 0.547 218 A N 1.087 123.755 122.820 -0.253 0.000 2.067 218 A HA 0.404 4.724 4.320 -0.000 0.000 0.217 218 A C 2.181 179.352 177.584 -0.688 0.000 1.156 218 A CA 1.588 53.282 52.037 -0.573 0.000 0.683 218 A CB -0.450 17.992 19.000 -0.929 0.000 0.808 218 A HN 2.298 nan 8.150 nan 0.000 0.455 219 G N -2.287 106.294 108.800 -0.364 0.000 2.176 219 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.253 219 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.253 219 G C 0.123 175.089 174.900 0.109 0.000 0.979 219 G CA 0.517 45.565 45.100 -0.088 0.000 0.641 219 G HN 1.543 nan 8.290 nan 0.000 0.530 220 F N -2.581 117.412 119.950 0.072 0.000 2.713 220 F HA 0.764 5.291 4.527 -0.000 0.000 0.311 220 F C -3.001 172.805 175.800 0.010 0.000 1.141 220 F CA -2.899 55.127 58.000 0.043 0.000 0.939 220 F CB 0.250 39.272 39.000 0.037 0.000 1.325 220 F HN -0.063 nan 8.300 nan 0.000 0.453 221 P HA 0.295 nan 4.420 nan 0.000 0.268 221 P C -1.079 176.311 177.300 0.150 0.000 1.204 221 P CA 0.211 63.368 63.100 0.095 0.000 0.768 221 P CB 0.605 32.345 31.700 0.066 0.000 0.842 222 L N 3.533 124.786 121.223 0.050 0.000 2.305 222 L HA 0.381 4.720 4.340 -0.000 0.000 0.284 222 L C 0.777 177.667 176.870 0.033 0.000 1.013 222 L CA -0.992 53.883 54.840 0.059 0.000 0.819 222 L CB 1.347 43.406 42.059 0.000 0.000 1.227 222 L HN 0.406 nan 8.230 nan 0.000 0.417 223 N N 1.497 120.221 118.700 0.040 0.000 2.294 223 N HA -0.013 4.727 4.740 -0.000 0.000 0.248 223 N C 0.673 176.185 175.510 0.003 0.000 1.300 223 N CA -0.418 52.641 53.050 0.015 0.000 0.925 223 N CB 0.422 38.917 38.487 0.013 0.000 1.188 223 N HN 0.636 nan 8.380 nan 0.000 0.512 224 Q N -0.624 119.170 119.800 -0.011 0.000 2.112 224 Q HA -0.255 4.085 4.340 -0.000 0.000 0.206 224 Q C 1.420 177.414 176.000 -0.011 0.000 0.987 224 Q CA 2.641 58.432 55.803 -0.021 0.000 0.858 224 Q CB -0.246 28.471 28.738 -0.035 0.000 0.905 224 Q HN 0.831 nan 8.270 nan 0.000 0.420 225 S N -0.857 114.840 115.700 -0.005 0.000 2.414 225 S HA -0.069 4.401 4.470 -0.000 0.000 0.227 225 S C 1.525 176.134 174.600 0.014 0.000 1.022 225 S CA 0.799 58.999 58.200 0.001 0.000 0.958 225 S CB -0.111 63.088 63.200 -0.002 0.000 0.797 225 S HN 0.432 nan 8.310 nan 0.000 0.493 226 E N 0.891 121.104 120.200 0.022 0.000 2.072 226 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 226 E C 2.053 178.672 176.600 0.031 0.000 0.985 226 E CA 1.049 57.471 56.400 0.036 0.000 0.801 226 E CB -0.312 29.424 29.700 0.060 0.000 0.750 226 E HN 0.378 nan 8.360 nan 0.000 0.452 227 V N 1.191 121.118 119.914 0.022 0.000 2.970 227 V HA -0.123 3.997 4.120 -0.000 0.000 0.260 227 V C 1.643 177.762 176.094 0.041 0.000 1.100 227 V CA 1.102 63.412 62.300 0.016 0.000 1.122 227 V CB -0.164 31.662 31.823 0.005 0.000 0.721 227 V HN 0.231 nan 8.190 nan 0.000 0.483 228 L N -0.302 120.948 121.223 0.046 0.000 2.375 228 L HA 0.224 4.564 4.340 -0.000 0.000 0.215 228 L C 2.299 179.201 176.870 0.054 0.000 1.108 228 L CA 1.021 55.903 54.840 0.070 0.000 0.830 228 L CB -0.389 41.698 42.059 0.048 0.000 0.959 228 L HN 0.371 nan 8.230 nan 0.000 0.457 229 A N -1.535 121.306 122.820 0.034 0.000 2.343 229 A HA 0.133 4.453 4.320 -0.000 0.000 0.223 229 A C 1.108 178.703 177.584 0.018 0.000 1.214 229 A CA -0.008 52.045 52.037 0.026 0.000 0.900 229 A CB 0.188 19.202 19.000 0.023 0.000 0.942 229 A HN 0.185 nan 8.150 nan 0.000 0.507 230 S N 0.104 115.814 115.700 0.017 0.000 2.562 230 S HA 0.463 4.933 4.470 -0.000 0.000 0.275 230 S C -0.160 174.434 174.600 -0.010 0.000 1.281 230 S CA -0.346 57.859 58.200 0.009 0.000 1.045 230 S CB 0.857 64.064 63.200 0.012 0.000 0.962 230 S HN 0.209 nan 8.310 nan 0.000 0.503 231 V N 4.945 124.853 119.914 -0.010 0.000 2.455 231 V HA 0.350 4.470 4.120 -0.000 0.000 0.273 231 V C 1.444 177.536 176.094 -0.003 0.000 1.045 231 V CA 0.374 62.661 62.300 -0.022 0.000 0.976 231 V CB 0.856 32.666 31.823 -0.022 0.000 0.993 231 V HN 1.103 nan 8.190 nan 0.000 0.475 232 G N 2.828 111.633 108.800 0.009 0.000 3.088 232 G HA2 0.567 4.527 3.960 -0.000 0.000 0.217 232 G HA3 0.567 4.527 3.960 -0.000 0.000 0.217 232 G C 0.519 175.476 174.900 0.095 0.000 1.159 232 G CA 0.565 45.741 45.100 0.127 0.000 0.760 232 G HN 1.246 nan 8.290 nan 0.000 0.550 233 G N -1.083 107.718 108.800 0.002 0.000 2.352 233 G HA2 0.392 4.352 3.960 -0.000 0.000 0.283 233 G HA3 0.392 4.352 3.960 -0.000 0.000 0.283 233 G C -1.406 173.477 174.900 -0.028 0.000 1.308 233 G CA -0.170 44.901 45.100 -0.048 0.000 0.892 233 G HN 0.594 nan 8.290 nan 0.000 0.504 234 S N -0.327 115.366 115.700 -0.013 0.000 2.547 234 S HA 0.695 5.165 4.470 -0.000 0.000 0.281 234 S C -0.515 174.121 174.600 0.061 0.000 1.118 234 S CA -0.451 57.767 58.200 0.030 0.000 0.947 234 S CB 1.672 64.903 63.200 0.051 0.000 1.053 234 S HN 0.858 nan 8.310 nan 0.000 0.482 235 M N 4.766 124.400 119.600 0.058 0.000 2.078 235 M HA 0.502 4.982 4.480 -0.000 0.000 0.320 235 M C -1.778 174.573 176.300 0.086 0.000 0.969 235 M CA -0.659 54.683 55.300 0.070 0.000 0.929 235 M CB 0.269 32.877 32.600 0.014 0.000 1.504 235 M HN 0.443 nan 8.290 nan 0.000 0.419 236 I N 6.847 127.478 120.570 0.102 0.000 2.297 236 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 236 I C -0.190 175.937 176.117 0.016 0.000 1.033 236 I CA -0.406 60.900 61.300 0.011 0.000 1.253 236 I CB 0.606 38.576 38.000 -0.049 0.000 1.396 236 I HN 0.738 nan 8.210 nan 0.000 0.476 237 I N 5.391 125.981 120.570 0.034 0.000 2.325 237 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 237 I C 1.161 177.318 176.117 0.067 0.000 1.019 237 I CA 0.007 61.398 61.300 0.151 0.000 1.302 237 I CB 1.191 39.298 38.000 0.178 0.000 1.401 237 I HN 0.871 nan 8.210 nan 0.000 0.485 238 G N 4.050 112.939 108.800 0.148 0.000 2.157 238 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.248 238 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.248 238 G C 0.205 175.089 174.900 -0.027 0.000 0.979 238 G CA -0.176 44.988 45.100 0.106 0.000 0.650 238 G HN 1.142 nan 8.290 nan 0.000 0.529 239 G N -1.268 107.383 108.800 -0.248 0.000 2.489 239 G HA2 0.627 4.587 3.960 -0.000 0.000 0.305 239 G HA3 0.627 4.587 3.960 -0.000 0.000 0.305 239 G C -1.541 173.218 174.900 -0.236 0.000 1.311 239 G CA -0.473 44.434 45.100 -0.322 0.000 0.813 239 G HN 0.761 nan 8.290 nan 0.000 0.480 240 I N 1.200 121.794 120.570 0.040 0.000 2.447 240 I HA 0.300 4.470 4.170 -0.000 0.000 0.287 240 I C -1.341 175.103 176.117 0.545 0.000 1.023 240 I CA -0.648 60.822 61.300 0.283 0.000 1.083 240 I CB 2.165 40.342 38.000 0.294 0.000 1.245 240 I HN 0.357 nan 8.210 nan 0.000 0.434 241 D N 5.694 126.409 120.400 0.525 0.000 2.329 241 D HA 0.194 4.834 4.640 -0.000 0.000 0.232 241 D C 0.907 177.461 176.300 0.424 0.000 1.088 241 D CA -0.177 54.114 54.000 0.487 0.000 0.835 241 D CB 0.886 41.889 40.800 0.338 0.000 1.078 241 D HN 0.586 nan 8.370 nan 0.000 0.495 242 H N 1.481 120.662 119.070 0.185 0.000 2.545 242 H HA -0.084 4.471 4.556 -0.000 0.000 0.282 242 H C 1.810 176.990 175.328 -0.247 0.000 1.020 242 H CA 0.796 56.832 56.048 -0.020 0.000 1.243 242 H CB 0.552 30.277 29.762 -0.061 0.000 1.377 242 H HN 0.362 nan 8.280 nan 0.000 0.581 243 S N 0.760 116.453 115.700 -0.011 0.000 2.522 243 S HA -0.014 4.456 4.470 -0.000 0.000 0.227 243 S C 1.769 176.284 174.600 -0.141 0.000 0.986 243 S CA 0.240 58.390 58.200 -0.083 0.000 0.929 243 S CB -0.327 62.853 63.200 -0.033 0.000 0.769 243 S HN 0.326 nan 8.310 nan 0.000 0.529 244 L N 0.442 121.538 121.223 -0.210 0.000 2.591 244 L HA 0.297 4.637 4.340 -0.000 0.000 0.228 244 L C 0.357 177.097 176.870 -0.217 0.000 1.133 244 L CA -0.167 54.474 54.840 -0.331 0.000 0.880 244 L CB -0.411 41.207 42.059 -0.735 0.000 1.033 244 L HN 0.575 nan 8.230 nan 0.000 0.450 245 Y N -2.572 117.570 120.300 -0.263 0.000 2.655 245 Y HA 0.677 5.227 4.550 -0.000 0.000 0.336 245 Y C -0.406 175.469 175.900 -0.042 0.000 1.154 245 Y CA -1.705 56.331 58.100 -0.106 0.000 1.055 245 Y CB 0.840 39.294 38.460 -0.010 0.000 1.295 245 Y HN -0.104 nan 8.280 nan 0.000 0.465 246 T N -0.874 113.728 114.554 0.079 0.000 2.908 246 T HA 0.794 5.144 4.350 -0.000 0.000 0.290 246 T C 0.348 175.125 174.700 0.130 0.000 1.034 246 T CA -0.229 61.868 62.100 -0.006 0.000 1.010 246 T CB 1.113 69.991 68.868 0.016 0.000 1.068 246 T HN 2.335 nan 8.240 nan 0.000 0.481 247 G N 1.611 110.454 108.800 0.072 0.000 2.593 247 G HA2 -0.040 3.919 3.960 -0.000 0.000 0.237 247 G HA3 -0.040 3.919 3.960 -0.000 0.000 0.237 247 G C -0.269 174.752 174.900 0.201 0.000 1.312 247 G CA -0.294 44.883 45.100 0.129 0.000 0.896 247 G HN 1.260 nan 8.290 nan 0.000 0.574 248 S N -0.466 115.345 115.700 0.186 0.000 2.565 248 S HA 0.672 5.142 4.470 -0.000 0.000 0.290 248 S C 0.405 175.013 174.600 0.013 0.000 1.150 248 S CA -0.603 57.652 58.200 0.092 0.000 1.058 248 S CB 1.453 64.623 63.200 -0.050 0.000 1.032 248 S HN 0.646 nan 8.310 nan 0.000 0.510 249 L N 2.206 123.309 121.223 -0.200 0.000 2.319 249 L HA 0.346 4.685 4.340 -0.000 0.000 0.280 249 L C -1.092 175.422 176.870 -0.593 0.000 1.099 249 L CA -0.182 54.399 54.840 -0.432 0.000 0.828 249 L CB 0.404 42.099 42.059 -0.606 0.000 1.150 249 L HN 0.637 nan 8.230 nan 0.000 0.442 250 W N 2.817 123.715 121.300 -0.670 0.000 2.532 250 W HA 0.442 5.102 4.660 -0.000 0.000 0.321 250 W C -0.698 175.217 176.519 -1.006 0.000 1.037 250 W CA -0.317 56.486 57.345 -0.905 0.000 1.220 250 W CB 0.961 29.554 29.460 -1.445 0.000 1.361 250 W HN 0.205 nan 8.180 nan 0.000 0.468 251 Y N 1.640 121.757 120.300 -0.305 0.000 2.342 251 Y HA 0.517 5.067 4.550 -0.000 0.000 0.334 251 Y C 0.645 176.712 175.900 0.278 0.000 1.067 251 Y CA -0.734 57.340 58.100 -0.043 0.000 1.128 251 Y CB 1.903 40.321 38.460 -0.071 0.000 1.200 251 Y HN 0.175 nan 8.280 nan 0.000 0.464 252 T N 4.697 119.577 114.554 0.542 0.000 2.856 252 T HA 0.493 4.843 4.350 -0.000 0.000 0.283 252 T C -2.848 172.032 174.700 0.300 0.000 1.008 252 T CA -2.656 59.735 62.100 0.486 0.000 0.997 252 T CB 1.088 70.210 68.868 0.422 0.000 0.992 252 T HN 0.257 nan 8.240 nan 0.000 0.454 253 P HA 0.240 nan 4.420 nan 0.000 0.268 253 P C -0.548 176.858 177.300 0.176 0.000 1.205 253 P CA -0.094 63.109 63.100 0.171 0.000 0.771 253 P CB 0.311 32.094 31.700 0.139 0.000 0.858 254 I N 3.933 124.607 120.570 0.173 0.000 2.379 254 I HA 0.122 4.292 4.170 -0.000 0.000 0.290 254 I C 1.949 178.166 176.117 0.166 0.000 1.063 254 I CA 0.031 61.458 61.300 0.211 0.000 1.351 254 I CB 0.564 38.718 38.000 0.258 0.000 1.410 254 I HN 0.452 nan 8.210 nan 0.000 0.505 255 R N 6.027 126.638 120.500 0.186 0.000 2.096 255 R HA 0.011 4.351 4.340 -0.000 0.000 0.235 255 R C 0.700 177.072 176.300 0.119 0.000 1.127 255 R CA 1.198 57.390 56.100 0.152 0.000 0.968 255 R CB 0.302 30.709 30.300 0.179 0.000 0.861 255 R HN 0.623 nan 8.270 nan 0.000 0.440 256 R N 0.121 120.724 120.500 0.171 0.000 2.561 256 R HA 0.102 4.442 4.340 -0.000 0.000 0.266 256 R C -1.711 174.683 176.300 0.157 0.000 1.091 256 R CA -0.478 55.670 56.100 0.081 0.000 0.927 256 R CB 1.535 31.811 30.300 -0.039 0.000 1.240 256 R HN 0.046 nan 8.270 nan 0.000 0.449 257 E N 5.048 125.173 120.200 -0.124 0.000 1.893 257 E HA 0.128 4.478 4.350 -0.000 0.000 0.269 257 E C -0.212 176.310 176.600 -0.131 0.000 1.129 257 E CA -0.069 56.011 56.400 -0.532 0.000 0.904 257 E CB 0.358 29.352 29.700 -1.178 0.000 1.077 257 E HN 0.521 nan 8.360 nan 0.000 0.407 258 W N 2.227 123.470 121.300 -0.095 0.000 4.558 258 W HA 0.171 4.831 4.660 -0.000 0.000 0.167 258 W C -0.555 175.938 176.519 -0.044 0.000 3.435 258 W CA -0.235 57.083 57.345 -0.045 0.000 1.301 258 W CB -0.355 29.061 29.460 -0.073 0.000 2.030 258 W HN 0.116 nan 8.180 nan 0.000 0.464 259 Y N 0.704 120.779 120.300 -0.375 0.000 2.344 259 Y HA 0.375 4.925 4.550 -0.000 0.000 0.330 259 Y C -0.169 175.643 175.900 -0.146 0.000 1.330 259 Y CA -0.509 57.374 58.100 -0.361 0.000 1.479 259 Y CB 0.123 38.233 38.460 -0.582 0.000 1.428 259 Y HN -0.173 nan 8.280 nan 0.000 0.544 260 Y N 0.920 121.403 120.300 0.305 0.000 2.636 260 Y HA 0.123 4.673 4.550 -0.000 0.000 0.341 260 Y C 0.344 176.387 175.900 0.238 0.000 1.169 260 Y CA -0.353 57.946 58.100 0.332 0.000 1.498 260 Y CB -0.189 38.493 38.460 0.369 0.000 1.362 260 Y HN 0.400 nan 8.280 nan 0.000 0.494 261 E N 3.293 123.692 120.200 0.332 0.000 2.259 261 E HA 0.484 4.834 4.350 -0.000 0.000 0.281 261 E C -0.800 175.956 176.600 0.260 0.000 1.027 261 E CA -0.592 55.974 56.400 0.277 0.000 0.838 261 E CB 0.876 30.819 29.700 0.405 0.000 1.066 261 E HN 0.448 nan 8.360 nan 0.000 0.401 262 V N 1.585 121.619 119.914 0.199 0.000 3.156 262 V HA 0.643 4.763 4.120 -0.000 0.000 0.311 262 V C -0.472 175.700 176.094 0.129 0.000 1.208 262 V CA -1.007 61.393 62.300 0.166 0.000 1.063 262 V CB 1.663 33.576 31.823 0.150 0.000 1.098 262 V HN 0.623 nan 8.190 nan 0.000 0.452 263 I N 1.586 122.213 120.570 0.096 0.000 2.418 263 I HA 0.484 4.654 4.170 -0.000 0.000 0.287 263 I C -0.764 175.369 176.117 0.026 0.000 1.008 263 I CA -0.416 60.933 61.300 0.082 0.000 1.104 263 I CB 1.847 39.903 38.000 0.094 0.000 1.264 263 I HN 0.494 nan 8.210 nan 0.000 0.438 264 I N 6.718 127.310 120.570 0.037 0.000 2.342 264 I HA 0.127 4.297 4.170 -0.000 0.000 0.291 264 I C 1.095 177.261 176.117 0.083 0.000 1.010 264 I CA -0.265 61.029 61.300 -0.011 0.000 1.308 264 I CB 1.655 39.632 38.000 -0.039 0.000 1.400 264 I HN 0.493 nan 8.210 nan 0.000 0.488 265 V N 2.846 122.780 119.914 0.034 0.000 3.605 265 V HA 0.408 4.528 4.120 -0.000 0.000 0.284 265 V C 0.493 176.628 176.094 0.068 0.000 1.386 265 V CA 0.036 62.382 62.300 0.077 0.000 1.053 265 V CB -0.065 31.771 31.823 0.021 0.000 0.857 265 V HN 0.867 nan 8.190 nan 0.000 0.436 266 R N -0.268 120.210 120.500 -0.036 0.000 2.604 266 R HA 0.675 5.015 4.340 -0.000 0.000 0.261 266 R C -2.467 173.665 176.300 -0.280 0.000 1.080 266 R CA -0.352 55.645 56.100 -0.171 0.000 0.917 266 R CB 2.645 32.615 30.300 -0.549 0.000 1.252 266 R HN 0.069 nan 8.270 nan 0.000 0.456 267 V N 2.836 122.530 119.914 -0.367 0.000 2.638 267 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 267 V C -0.805 175.201 176.094 -0.146 0.000 1.052 267 V CA -0.746 61.351 62.300 -0.338 0.000 0.885 267 V CB 2.034 33.479 31.823 -0.631 0.000 0.999 267 V HN 0.796 nan 8.190 nan 0.000 0.424 268 E N 4.276 124.440 120.200 -0.060 0.000 2.288 268 E HA 0.621 4.971 4.350 -0.000 0.000 0.268 268 E C -1.517 175.077 176.600 -0.011 0.000 0.885 268 E CA -0.868 55.520 56.400 -0.020 0.000 0.767 268 E CB 2.789 32.508 29.700 0.032 0.000 1.220 268 E HN 0.363 nan 8.360 nan 0.000 0.427 269 I N 3.002 123.573 120.570 0.002 0.000 2.410 269 I HA 0.196 4.366 4.170 -0.000 0.000 0.286 269 I C -0.190 175.954 176.117 0.045 0.000 1.009 269 I CA -0.741 60.576 61.300 0.027 0.000 1.111 269 I CB 0.855 38.864 38.000 0.015 0.000 1.262 269 I HN 0.579 nan 8.210 nan 0.000 0.443 270 N N 5.230 123.973 118.700 0.072 0.000 2.716 270 N HA -0.219 4.521 4.740 -0.000 0.000 0.250 270 N C 1.242 176.777 175.510 0.042 0.000 1.033 270 N CA 1.338 54.428 53.050 0.067 0.000 0.727 270 N CB -0.823 37.707 38.487 0.072 0.000 0.950 270 N HN 1.124 nan 8.380 nan 0.000 0.541 271 G N -0.984 107.837 108.800 0.034 0.000 2.212 271 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.266 271 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.266 271 G C -0.055 174.847 174.900 0.003 0.000 0.978 271 G CA 0.708 45.822 45.100 0.022 0.000 0.632 271 G HN 0.690 nan 8.290 nan 0.000 0.537 272 Q N 1.057 120.859 119.800 0.002 0.000 2.294 272 Q HA 0.428 4.768 4.340 -0.000 0.000 0.257 272 Q C -0.361 175.625 176.000 -0.023 0.000 0.955 272 Q CA -0.623 55.173 55.803 -0.011 0.000 0.936 272 Q CB 0.569 29.303 28.738 -0.006 0.000 1.188 272 Q HN 0.232 nan 8.270 nan 0.000 0.420 273 D N 3.698 124.075 120.400 -0.039 0.000 2.487 273 D HA -0.100 4.540 4.640 -0.000 0.000 0.243 273 D C 0.608 176.898 176.300 -0.017 0.000 1.154 273 D CA 0.038 54.008 54.000 -0.050 0.000 0.876 273 D CB 0.925 41.684 40.800 -0.068 0.000 1.161 273 D HN 0.630 nan 8.370 nan 0.000 0.478 274 L N 4.367 125.593 121.223 0.006 0.000 2.376 274 L HA -0.007 4.332 4.340 -0.000 0.000 0.219 274 L C 1.548 178.455 176.870 0.061 0.000 1.133 274 L CA 1.133 55.998 54.840 0.042 0.000 0.816 274 L CB -0.802 41.301 42.059 0.074 0.000 0.933 274 L HN 0.818 nan 8.230 nan 0.000 0.449 275 K N -0.686 119.749 120.400 0.058 0.000 3.069 275 K HA -0.249 4.071 4.320 -0.000 0.000 0.267 275 K C -0.223 176.375 176.600 -0.003 0.000 1.082 275 K CA 0.733 57.032 56.287 0.020 0.000 0.782 275 K CB -1.118 31.375 32.500 -0.011 0.000 1.230 275 K HN 0.419 nan 8.250 nan 0.000 0.488 276 M N 0.674 120.278 119.600 0.007 0.000 2.359 276 M HA 0.139 4.619 4.480 -0.000 0.000 0.322 276 M C 0.333 176.458 176.300 -0.292 0.000 1.166 276 M CA -0.678 54.528 55.300 -0.157 0.000 1.067 276 M CB 0.696 33.165 32.600 -0.219 0.000 1.523 276 M HN 0.081 nan 8.290 nan 0.000 0.467 277 D N 1.322 121.562 120.400 -0.268 0.000 2.472 277 D HA -0.023 4.617 4.640 -0.000 0.000 0.248 277 D C 1.079 177.128 176.300 -0.418 0.000 1.174 277 D CA -0.147 53.709 54.000 -0.241 0.000 0.883 277 D CB 0.931 41.629 40.800 -0.171 0.000 1.149 277 D HN 0.856 nan 8.370 nan 0.000 0.488 278 c N 3.669 122.073 118.600 -0.327 0.000 2.409 278 c HA -0.064 4.506 4.570 -0.000 0.000 0.288 278 c C 2.216 176.171 174.090 -0.224 0.000 1.395 278 c CA 0.194 56.317 56.329 -0.344 0.000 1.792 278 c CB -0.838 41.671 42.510 -0.003 0.000 1.847 278 c HN 0.716 nan 8.230 nan 0.000 0.534 279 K N 0.934 121.246 120.400 -0.147 0.000 2.283 279 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 279 K C 2.041 178.608 176.600 -0.055 0.000 1.048 279 K CA 1.214 57.487 56.287 -0.023 0.000 0.948 279 K CB -0.154 32.360 32.500 0.023 0.000 0.742 279 K HN 0.532 nan 8.250 nan 0.000 0.458 280 E N -0.162 119.908 120.200 -0.217 0.000 2.204 280 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 280 E C 1.570 178.161 176.600 -0.014 0.000 0.989 280 E CA 1.108 57.409 56.400 -0.164 0.000 0.824 280 E CB -0.145 29.403 29.700 -0.254 0.000 0.756 280 E HN 0.573 nan 8.360 nan 0.000 0.477 281 Y N 0.572 120.894 120.300 0.036 0.000 2.509 281 Y HA 0.013 4.563 4.550 -0.000 0.000 0.293 281 Y C 1.422 177.344 175.900 0.037 0.000 1.133 281 Y CA 0.131 58.247 58.100 0.027 0.000 1.283 281 Y CB 0.243 38.705 38.460 0.003 0.000 1.001 281 Y HN -0.006 nan 8.280 nan 0.000 0.555 282 N N -1.013 117.801 118.700 0.190 0.000 2.291 282 N HA -0.019 4.721 4.740 -0.000 0.000 0.244 282 N C -1.083 174.507 175.510 0.134 0.000 1.216 282 N CA -0.072 53.073 53.050 0.158 0.000 0.879 282 N CB 0.293 38.888 38.487 0.179 0.000 1.167 282 N HN 0.185 nan 8.380 nan 0.000 0.515 283 Y N 3.161 123.410 120.300 -0.085 0.000 2.383 283 Y HA 0.132 4.682 4.550 -0.000 0.000 0.344 283 Y C 0.788 176.566 175.900 -0.203 0.000 0.986 283 Y CA -1.102 56.816 58.100 -0.303 0.000 1.175 283 Y CB 0.561 38.802 38.460 -0.365 0.000 1.152 283 Y HN 0.007 nan 8.280 nan 0.000 0.511 284 D N 3.831 123.823 120.400 -0.680 0.000 2.339 284 D HA 0.083 4.723 4.640 -0.000 0.000 0.217 284 D C -0.542 175.810 176.300 0.087 0.000 1.050 284 D CA 0.154 53.929 54.000 -0.375 0.000 0.856 284 D CB 0.015 40.658 40.800 -0.262 0.000 0.922 284 D HN 0.627 nan 8.370 nan 0.000 0.518 285 K N -2.359 118.050 120.400 0.016 0.000 2.685 285 K HA 0.514 4.834 4.320 -0.000 0.000 0.290 285 K C -1.683 174.922 176.600 0.009 0.000 1.018 285 K CA -0.848 55.497 56.287 0.097 0.000 0.860 285 K CB 0.864 33.434 32.500 0.116 0.000 1.498 285 K HN -0.181 nan 8.250 nan 0.000 0.390 286 S N 1.221 116.947 115.700 0.044 0.000 2.561 286 S HA 0.662 5.132 4.470 -0.000 0.000 0.303 286 S C -0.449 174.160 174.600 0.016 0.000 1.110 286 S CA -0.843 57.367 58.200 0.017 0.000 1.034 286 S CB 0.507 63.737 63.200 0.051 0.000 1.010 286 S HN 0.576 nan 8.310 nan 0.000 0.482 287 I N -0.809 119.745 120.570 -0.026 0.000 3.042 287 I HA 0.793 4.963 4.170 -0.000 0.000 0.310 287 I C -1.276 174.895 176.117 0.090 0.000 1.117 287 I CA -1.331 59.982 61.300 0.022 0.000 1.003 287 I CB 1.854 39.780 38.000 -0.122 0.000 1.228 287 I HN 0.243 nan 8.210 nan 0.000 0.443 288 V N 2.468 122.502 119.914 0.199 0.000 2.328 288 V HA 0.370 4.490 4.120 -0.000 0.000 0.278 288 V C -0.999 175.240 176.094 0.242 0.000 1.021 288 V CA 0.073 62.509 62.300 0.226 0.000 0.838 288 V CB 0.869 32.846 31.823 0.256 0.000 0.999 288 V HN 0.742 nan 8.190 nan 0.000 0.447 289 D N 2.995 123.486 120.400 0.153 0.000 2.421 289 D HA 0.236 4.875 4.640 -0.000 0.000 0.254 289 D C 1.069 177.418 176.300 0.082 0.000 1.238 289 D CA -0.141 53.925 54.000 0.111 0.000 0.919 289 D CB 1.869 42.698 40.800 0.048 0.000 1.152 289 D HN 0.460 nan 8.370 nan 0.000 0.552 290 S N 1.347 117.088 115.700 0.069 0.000 2.515 290 S HA 0.031 4.501 4.470 -0.000 0.000 0.231 290 S C 1.804 176.424 174.600 0.034 0.000 0.987 290 S CA 0.461 58.693 58.200 0.053 0.000 0.936 290 S CB 0.128 63.336 63.200 0.013 0.000 0.766 290 S HN 0.401 nan 8.310 nan 0.000 0.528 291 G N 0.278 109.079 108.800 0.003 0.000 2.985 291 G HA2 0.235 4.195 3.960 -0.000 0.000 0.209 291 G HA3 0.235 4.195 3.960 -0.000 0.000 0.209 291 G C 0.281 175.168 174.900 -0.022 0.000 1.165 291 G CA 0.421 45.501 45.100 -0.034 0.000 0.776 291 G HN 0.522 nan 8.290 nan 0.000 0.541 292 T N -1.384 113.172 114.554 0.004 0.000 2.887 292 T HA 0.454 4.804 4.350 -0.000 0.000 0.288 292 T C 1.486 176.204 174.700 0.031 0.000 1.021 292 T CA -0.201 61.899 62.100 0.001 0.000 1.000 292 T CB 1.696 70.551 68.868 -0.021 0.000 1.034 292 T HN -0.068 nan 8.240 nan 0.000 0.467 293 T N 3.626 118.197 114.554 0.029 0.000 2.732 293 T HA 0.050 4.400 4.350 -0.000 0.000 0.261 293 T C 0.954 175.676 174.700 0.037 0.000 1.040 293 T CA 0.819 62.946 62.100 0.045 0.000 1.145 293 T CB -0.196 68.693 68.868 0.036 0.000 0.866 293 T HN 0.534 nan 8.240 nan 0.000 0.427 294 N N 1.241 119.945 118.700 0.007 0.000 2.408 294 N HA 0.352 5.092 4.740 -0.000 0.000 0.260 294 N C -0.706 174.798 175.510 -0.009 0.000 1.242 294 N CA -0.711 52.331 53.050 -0.013 0.000 0.959 294 N CB 0.246 38.701 38.487 -0.052 0.000 1.201 294 N HN 0.086 nan 8.380 nan 0.000 0.511 295 L N 1.019 122.229 121.223 -0.023 0.000 2.278 295 L HA 0.304 4.643 4.340 -0.000 0.000 0.287 295 L C -0.263 176.590 176.870 -0.028 0.000 1.072 295 L CA 0.057 54.889 54.840 -0.013 0.000 0.819 295 L CB -0.176 41.873 42.059 -0.017 0.000 1.176 295 L HN 0.354 nan 8.230 nan 0.000 0.435 296 R N 5.902 126.387 120.500 -0.025 0.000 2.445 296 R HA 0.706 5.046 4.340 -0.000 0.000 0.308 296 R C -1.257 175.040 176.300 -0.006 0.000 0.961 296 R CA -0.704 55.372 56.100 -0.039 0.000 0.862 296 R CB 1.495 31.752 30.300 -0.073 0.000 1.144 296 R HN 0.611 nan 8.270 nan 0.000 0.447 297 L N 3.731 124.978 121.223 0.041 0.000 2.362 297 L HA 0.511 4.851 4.340 -0.000 0.000 0.271 297 L C -2.333 174.591 176.870 0.091 0.000 1.002 297 L CA -2.683 52.217 54.840 0.099 0.000 0.818 297 L CB 2.284 44.464 42.059 0.202 0.000 1.298 297 L HN 0.259 nan 8.230 nan 0.000 0.420 298 P HA -0.059 nan 4.420 nan 0.000 0.264 298 P C 0.358 177.740 177.300 0.137 0.000 1.183 298 P CA 0.208 63.354 63.100 0.077 0.000 0.763 298 P CB 0.641 32.412 31.700 0.119 0.000 0.807 299 K N 4.721 125.184 120.400 0.104 0.000 2.066 299 K HA -0.324 3.996 4.320 -0.000 0.000 0.221 299 K C 1.737 178.448 176.600 0.186 0.000 1.056 299 K CA 2.352 58.722 56.287 0.139 0.000 0.950 299 K CB -0.213 32.344 32.500 0.095 0.000 0.726 299 K HN 0.262 nan 8.250 nan 0.000 0.456 300 K N 0.016 120.498 120.400 0.137 0.000 2.148 300 K HA -0.095 4.224 4.320 -0.000 0.000 0.204 300 K C 1.830 178.497 176.600 0.112 0.000 1.050 300 K CA 1.361 57.708 56.287 0.100 0.000 0.942 300 K CB 0.157 32.685 32.500 0.048 0.000 0.724 300 K HN 0.108 nan 8.250 nan 0.000 0.446 301 V N 0.917 120.923 119.914 0.152 0.000 2.453 301 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 301 V C 1.933 178.122 176.094 0.158 0.000 1.048 301 V CA 1.409 63.814 62.300 0.174 0.000 1.049 301 V CB -0.574 31.394 31.823 0.242 0.000 0.672 301 V HN 0.311 nan 8.190 nan 0.000 0.457 302 F N 1.643 121.627 119.950 0.058 0.000 2.102 302 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 302 F C 2.346 178.176 175.800 0.051 0.000 1.105 302 F CA 2.032 60.065 58.000 0.054 0.000 1.239 302 F CB -0.169 38.863 39.000 0.053 0.000 0.991 302 F HN 0.207 nan 8.300 nan 0.000 0.474 303 E N 0.141 120.379 120.200 0.063 0.000 2.110 303 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 303 E C 2.304 178.829 176.600 -0.125 0.000 0.988 303 E CA 1.009 57.378 56.400 -0.052 0.000 0.804 303 E CB -0.390 29.347 29.700 0.063 0.000 0.745 303 E HN 0.506 nan 8.360 nan 0.000 0.458 304 A N 1.265 124.047 122.820 -0.063 0.000 1.930 304 A HA 0.076 4.396 4.320 -0.000 0.000 0.215 304 A C 2.333 179.857 177.584 -0.100 0.000 1.176 304 A CA 1.228 53.228 52.037 -0.061 0.000 0.632 304 A CB -0.350 18.649 19.000 -0.002 0.000 0.819 304 A HN 0.267 nan 8.150 nan 0.000 0.445 305 A N -0.477 122.272 122.820 -0.118 0.000 1.929 305 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 305 A C 2.145 179.609 177.584 -0.200 0.000 1.176 305 A CA 1.624 53.584 52.037 -0.127 0.000 0.628 305 A CB -0.754 18.188 19.000 -0.097 0.000 0.816 305 A HN 0.345 nan 8.150 nan 0.000 0.444 306 V N 0.287 119.987 119.914 -0.357 0.000 2.427 306 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 306 V C 2.354 178.182 176.094 -0.442 0.000 1.051 306 V CA 2.182 64.219 62.300 -0.439 0.000 1.048 306 V CB -0.665 30.791 31.823 -0.613 0.000 0.666 306 V HN 0.536 nan 8.190 nan 0.000 0.456 307 K N 0.058 120.269 120.400 -0.316 0.000 2.057 307 K HA -0.158 4.161 4.320 -0.000 0.000 0.207 307 K C 2.501 178.977 176.600 -0.207 0.000 1.049 307 K CA 1.656 57.789 56.287 -0.257 0.000 0.931 307 K CB -0.356 32.045 32.500 -0.166 0.000 0.714 307 K HN 0.399 nan 8.250 nan 0.000 0.440 308 S N 1.038 116.645 115.700 -0.155 0.000 2.368 308 S HA -0.050 4.420 4.470 -0.000 0.000 0.224 308 S C 1.939 176.494 174.600 -0.076 0.000 1.029 308 S CA 0.737 58.880 58.200 -0.094 0.000 0.988 308 S CB -0.145 63.020 63.200 -0.059 0.000 0.838 308 S HN 0.185 nan 8.310 nan 0.000 0.462 309 I N 1.091 121.607 120.570 -0.090 0.000 2.315 309 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 309 I C 2.450 178.548 176.117 -0.032 0.000 1.117 309 I CA 1.138 62.451 61.300 0.023 0.000 1.404 309 I CB -0.273 37.806 38.000 0.131 0.000 1.071 309 I HN 0.274 nan 8.210 nan 0.000 0.419 310 K N 1.037 121.239 120.400 -0.330 0.000 2.097 310 K HA -0.099 4.220 4.320 -0.000 0.000 0.205 310 K C 2.289 178.826 176.600 -0.105 0.000 1.050 310 K CA 1.424 57.513 56.287 -0.331 0.000 0.938 310 K CB -0.237 31.909 32.500 -0.590 0.000 0.718 310 K HN 0.288 nan 8.250 nan 0.000 0.442 311 A N 1.548 124.303 122.820 -0.109 0.000 1.898 311 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 311 A C 2.364 179.934 177.584 -0.022 0.000 1.181 311 A CA 1.745 53.746 52.037 -0.060 0.000 0.620 311 A CB -0.614 18.349 19.000 -0.061 0.000 0.819 311 A HN 0.320 nan 8.150 nan 0.000 0.442 312 A N 0.065 122.885 122.820 0.000 0.000 1.969 312 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 312 A C 2.178 179.769 177.584 0.013 0.000 1.169 312 A CA 1.909 53.961 52.037 0.025 0.000 0.635 312 A CB -0.596 18.445 19.000 0.069 0.000 0.810 312 A HN 0.997 nan 8.150 nan 0.000 0.445 313 S N -0.172 115.538 115.700 0.016 0.000 2.572 313 S HA 0.061 4.531 4.470 -0.000 0.000 0.228 313 S C 1.410 176.011 174.600 0.002 0.000 0.963 313 S CA 0.638 58.806 58.200 -0.052 0.000 0.939 313 S CB -0.467 62.642 63.200 -0.152 0.000 0.804 313 S HN 0.759 nan 8.310 nan 0.000 0.480 314 S N 2.052 117.753 115.700 0.002 0.000 2.488 314 S HA -0.185 4.285 4.470 -0.000 0.000 0.246 314 S C 1.848 176.424 174.600 -0.040 0.000 0.992 314 S CA 1.457 59.651 58.200 -0.010 0.000 0.963 314 S CB -1.583 61.604 63.200 -0.022 0.000 0.754 314 S HN 0.801 nan 8.310 nan 0.000 0.519 315 T N -1.061 113.463 114.554 -0.050 0.000 3.051 315 T HA 0.113 4.463 4.350 -0.000 0.000 0.269 315 T C 0.342 174.986 174.700 -0.093 0.000 1.127 315 T CA 0.378 62.441 62.100 -0.060 0.000 1.107 315 T CB -0.369 68.468 68.868 -0.051 0.000 0.898 315 T HN 0.608 nan 8.240 nan 0.000 0.517 316 E N 0.748 120.865 120.200 -0.139 0.000 2.256 316 E HA 0.419 4.769 4.350 -0.000 0.000 0.268 316 E C -1.003 175.291 176.600 -0.511 0.000 0.877 316 E CA -1.049 55.164 56.400 -0.313 0.000 0.757 316 E CB 1.560 31.076 29.700 -0.307 0.000 1.183 316 E HN 0.011 nan 8.360 nan 0.000 0.418 317 K N 2.426 122.517 120.400 -0.514 0.000 2.183 317 K HA 0.480 4.800 4.320 -0.000 0.000 0.274 317 K C -0.778 175.465 176.600 -0.596 0.000 1.009 317 K CA -0.373 55.693 56.287 -0.369 0.000 0.888 317 K CB 0.680 33.097 32.500 -0.137 0.000 1.078 317 K HN 0.369 nan 8.250 nan 0.000 0.459 318 F N 3.386 123.432 119.950 0.161 0.000 2.520 318 F HA 0.321 4.848 4.527 -0.000 0.000 0.322 318 F C -1.523 174.385 175.800 0.181 0.000 1.103 318 F CA -2.116 55.902 58.000 0.031 0.000 0.926 318 F CB 1.444 40.290 39.000 -0.257 0.000 1.154 318 F HN 0.372 nan 8.300 nan 0.000 0.453 319 P HA -0.025 nan 4.420 nan 0.000 0.268 319 P C -0.029 177.475 177.300 0.339 0.000 1.208 319 P CA -0.009 63.230 63.100 0.232 0.000 0.777 319 P CB 1.152 32.935 31.700 0.138 0.000 0.875 320 D N 2.276 122.856 120.400 0.301 0.000 2.190 320 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 320 D C 2.115 178.586 176.300 0.285 0.000 0.992 320 D CA 1.881 56.079 54.000 0.330 0.000 0.854 320 D CB -0.740 40.190 40.800 0.217 0.000 0.936 320 D HN 0.665 nan 8.370 nan 0.000 0.462 321 G N 0.215 109.142 108.800 0.213 0.000 2.432 321 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 321 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 321 G C 1.418 176.417 174.900 0.165 0.000 1.135 321 G CA 0.247 45.448 45.100 0.168 0.000 0.767 321 G HN 0.243 nan 8.290 nan 0.000 0.550 322 F N 0.548 120.500 119.950 0.004 0.000 2.075 322 F HA -0.025 4.502 4.527 -0.000 0.000 0.297 322 F C 2.202 177.907 175.800 -0.160 0.000 1.113 322 F CA 1.171 59.074 58.000 -0.162 0.000 1.218 322 F CB -0.409 38.351 39.000 -0.400 0.000 0.984 322 F HN 0.230 nan 8.300 nan 0.000 0.472 323 W N 0.442 121.675 121.300 -0.113 0.000 2.525 323 W HA 0.009 4.669 4.660 -0.000 0.000 0.259 323 W C 1.739 178.321 176.519 0.105 0.000 1.253 323 W CA 0.344 57.537 57.345 -0.253 0.000 1.262 323 W CB -0.448 28.943 29.460 -0.116 0.000 1.122 323 W HN 0.005 nan 8.180 nan 0.000 0.607 324 L N 0.299 121.690 121.223 0.279 0.000 2.591 324 L HA 0.272 4.611 4.340 -0.000 0.000 0.228 324 L C 1.934 178.912 176.870 0.181 0.000 1.133 324 L CA 0.614 55.607 54.840 0.256 0.000 0.880 324 L CB -0.876 41.294 42.059 0.185 0.000 1.033 324 L HN 0.221 nan 8.230 nan 0.000 0.450 325 G N 0.586 109.472 108.800 0.143 0.000 2.166 325 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 325 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 325 G C 0.691 175.626 174.900 0.059 0.000 0.986 325 G CA 0.748 45.899 45.100 0.084 0.000 0.683 325 G HN 0.532 nan 8.290 nan 0.000 0.527 326 E N -0.561 119.680 120.200 0.069 0.000 2.389 326 E HA 0.123 4.473 4.350 -0.000 0.000 0.199 326 E C 1.229 177.872 176.600 0.073 0.000 0.978 326 E CA 0.784 57.224 56.400 0.067 0.000 0.912 326 E CB 0.187 29.929 29.700 0.070 0.000 0.907 326 E HN 0.854 nan 8.360 nan 0.000 0.494 327 Q N 1.148 121.005 119.800 0.094 0.000 2.375 327 Q HA 0.459 4.799 4.340 -0.000 0.000 0.271 327 Q C -0.628 175.465 176.000 0.155 0.000 1.074 327 Q CA -1.251 54.614 55.803 0.105 0.000 0.808 327 Q CB 1.624 30.420 28.738 0.096 0.000 1.327 327 Q HN -0.052 nan 8.270 nan 0.000 0.441 328 L N -0.040 121.247 121.223 0.106 0.000 2.439 328 L HA 0.708 5.048 4.340 -0.000 0.000 0.261 328 L C -0.581 176.306 176.870 0.029 0.000 1.153 328 L CA -0.576 54.330 54.840 0.109 0.000 0.808 328 L CB 0.650 42.737 42.059 0.047 0.000 1.126 328 L HN 0.484 nan 8.230 nan 0.000 0.460 329 V N 0.304 120.183 119.914 -0.059 0.000 2.604 329 V HA 0.557 4.677 4.120 -0.000 0.000 0.305 329 V C -0.418 175.425 176.094 -0.418 0.000 1.043 329 V CA -0.319 61.750 62.300 -0.385 0.000 0.888 329 V CB 1.620 32.954 31.823 -0.816 0.000 0.995 329 V HN 1.063 nan 8.190 nan 0.000 0.429 330 c N 4.102 122.395 118.600 -0.512 0.000 2.507 330 c HA 0.706 5.275 4.570 -0.000 0.000 0.319 330 c C -0.741 173.077 174.090 -0.453 0.000 1.208 330 c CA -0.916 55.216 56.329 -0.329 0.000 1.619 330 c CB 1.455 43.869 42.510 -0.161 0.000 2.230 330 c HN 0.867 nan 8.230 nan 0.000 0.492 331 W N 1.209 122.526 121.300 0.029 0.000 2.844 331 W HA 0.408 5.068 4.660 0.000 0.000 0.340 331 W C -0.111 176.413 176.519 0.008 0.000 1.093 331 W CA -0.486 56.868 57.345 0.016 0.000 1.212 331 W CB 1.138 30.600 29.460 0.003 0.000 1.422 331 W HN 0.707 nan 8.180 nan 0.000 0.515 332 Q N 1.686 121.626 119.800 0.233 0.000 2.333 332 Q HA 0.243 4.583 4.340 -0.000 0.000 0.299 332 Q C 0.447 176.525 176.000 0.130 0.000 1.067 332 Q CA 0.176 56.058 55.803 0.131 0.000 0.943 332 Q CB 0.854 29.650 28.738 0.098 0.000 1.233 332 Q HN 0.486 nan 8.270 nan 0.000 0.401 333 A N 3.289 126.161 122.820 0.086 0.000 2.592 333 A HA 0.210 4.530 4.320 -0.000 0.000 0.250 333 A C 1.281 178.910 177.584 0.074 0.000 1.017 333 A CA 0.947 53.028 52.037 0.073 0.000 0.794 333 A CB -1.018 18.005 19.000 0.038 0.000 0.917 333 A HN 1.437 nan 8.150 nan 0.000 0.515 334 G N 1.798 110.653 108.800 0.092 0.000 2.184 334 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.264 334 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.264 334 G C 0.919 175.852 174.900 0.056 0.000 0.975 334 G CA 1.361 46.512 45.100 0.086 0.000 0.642 334 G HN 2.209 nan 8.290 nan 0.000 0.536 335 T N -1.434 113.141 114.554 0.034 0.000 3.105 335 T HA 0.390 4.740 4.350 -0.000 0.000 0.253 335 T C 0.950 175.482 174.700 -0.280 0.000 1.047 335 T CA 0.913 62.985 62.100 -0.046 0.000 0.944 335 T CB 0.168 69.048 68.868 0.020 0.000 1.016 335 T HN 0.402 nan 8.240 nan 0.000 0.544 336 T N 6.004 120.315 114.554 -0.405 0.000 2.800 336 T HA 0.107 4.457 4.350 -0.000 0.000 0.283 336 T C -2.027 171.976 174.700 -1.161 0.000 0.999 336 T CA -0.398 61.040 62.100 -1.104 0.000 1.176 336 T CB 0.542 68.612 68.868 -1.330 0.000 0.973 336 T HN 0.289 nan 8.240 nan 0.000 0.519 337 P HA 0.115 nan 4.420 nan 0.000 0.220 337 P C 0.287 177.411 177.300 -0.293 0.000 1.806 337 P CA -0.424 62.339 63.100 -0.562 0.000 0.976 337 P CB -0.278 31.167 31.700 -0.424 0.000 1.952 338 W N 2.346 123.574 121.300 -0.120 0.000 2.308 338 W HA -0.281 4.379 4.660 -0.000 0.000 0.301 338 W C 2.099 178.681 176.519 0.106 0.000 1.220 338 W CA 1.550 58.884 57.345 -0.019 0.000 1.240 338 W CB -1.472 27.957 29.460 -0.051 0.000 1.142 338 W HN 0.309 nan 8.180 nan 0.000 0.521 339 N N 1.549 120.414 118.700 0.275 0.000 2.453 339 N HA -0.174 4.566 4.740 -0.000 0.000 0.183 339 N C 1.408 176.993 175.510 0.125 0.000 1.041 339 N CA 1.819 54.979 53.050 0.183 0.000 0.900 339 N CB -0.974 37.565 38.487 0.087 0.000 0.961 339 N HN 0.425 nan 8.380 nan 0.000 0.443 340 I N -4.156 116.464 120.570 0.083 0.000 3.419 340 I HA 0.250 4.420 4.170 -0.000 0.000 0.286 340 I C -0.437 175.651 176.117 -0.047 0.000 1.268 340 I CA -0.243 61.038 61.300 -0.031 0.000 1.414 340 I CB -0.234 37.679 38.000 -0.145 0.000 1.074 340 I HN -0.167 nan 8.210 nan 0.000 0.457 341 F N 4.181 124.234 119.950 0.171 0.000 2.396 341 F HA 0.498 5.025 4.527 -0.000 0.000 0.343 341 F C -1.948 174.012 175.800 0.266 0.000 1.104 341 F CA -2.540 55.621 58.000 0.269 0.000 1.161 341 F CB 0.487 39.664 39.000 0.295 0.000 1.146 341 F HN -0.112 nan 8.300 nan 0.000 0.522 342 P HA 0.206 nan 4.420 nan 0.000 0.281 342 P C -0.832 176.709 177.300 0.400 0.000 1.249 342 P CA -0.293 63.010 63.100 0.340 0.000 0.810 342 P CB 1.802 33.649 31.700 0.245 0.000 1.008 343 V N 0.505 120.578 119.914 0.266 0.000 2.834 343 V HA 0.468 4.588 4.120 -0.000 0.000 0.301 343 V C 0.176 176.393 176.094 0.205 0.000 1.066 343 V CA -0.534 61.914 62.300 0.246 0.000 1.052 343 V CB 0.325 32.236 31.823 0.148 0.000 1.021 343 V HN 0.319 nan 8.190 nan 0.000 0.480 344 I N 2.766 123.452 120.570 0.194 0.000 2.406 344 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 344 I C -0.078 176.054 176.117 0.025 0.000 0.999 344 I CA -0.156 61.196 61.300 0.087 0.000 1.124 344 I CB 1.986 40.019 38.000 0.056 0.000 1.289 344 I HN 0.705 nan 8.210 nan 0.000 0.441 345 S N 7.147 122.828 115.700 -0.032 0.000 2.449 345 S HA 0.629 5.099 4.470 -0.000 0.000 0.310 345 S C -0.444 174.061 174.600 -0.158 0.000 1.096 345 S CA -0.612 57.515 58.200 -0.123 0.000 1.095 345 S CB 1.302 64.415 63.200 -0.145 0.000 1.007 345 S HN 0.357 nan 8.310 nan 0.000 0.474 346 L N 3.812 124.870 121.223 -0.274 0.000 2.298 346 L HA 0.475 4.815 4.340 -0.000 0.000 0.284 346 L C -1.297 175.330 176.870 -0.406 0.000 1.013 346 L CA -0.791 53.875 54.840 -0.289 0.000 0.824 346 L CB 0.630 42.499 42.059 -0.318 0.000 1.221 346 L HN 0.608 nan 8.230 nan 0.000 0.418 347 Y N 3.978 124.029 120.300 -0.416 0.000 2.336 347 Y HA 0.462 5.012 4.550 -0.000 0.000 0.335 347 Y C 0.145 175.761 175.900 -0.472 0.000 1.046 347 Y CA -0.328 57.500 58.100 -0.453 0.000 1.198 347 Y CB 0.932 39.173 38.460 -0.365 0.000 1.182 347 Y HN 0.368 nan 8.280 nan 0.000 0.502 348 L N 4.307 125.170 121.223 -0.599 0.000 2.334 348 L HA 0.465 4.805 4.340 -0.000 0.000 0.276 348 L C 0.082 176.728 176.870 -0.373 0.000 1.014 348 L CA -1.042 53.450 54.840 -0.580 0.000 0.815 348 L CB 1.726 43.234 42.059 -0.918 0.000 1.268 348 L HN 0.621 nan 8.230 nan 0.000 0.428 349 M N 1.744 121.280 119.600 -0.107 0.000 2.261 349 M HA 0.148 4.628 4.480 -0.000 0.000 0.350 349 M C 0.520 176.921 176.300 0.170 0.000 1.343 349 M CA 0.420 55.745 55.300 0.043 0.000 1.003 349 M CB 0.573 33.219 32.600 0.076 0.000 1.848 349 M HN 0.734 nan 8.290 nan 0.000 0.456 350 G N 3.327 112.280 108.800 0.255 0.000 2.537 350 G HA2 0.236 4.196 3.960 -0.000 0.000 0.297 350 G HA3 0.236 4.196 3.960 -0.000 0.000 0.297 350 G C 0.000 175.070 174.900 0.284 0.000 1.310 350 G CA -0.449 44.899 45.100 0.413 0.000 1.027 350 G HN 0.885 nan 8.290 nan 0.000 0.505 351 E N -1.484 118.874 120.200 0.264 0.000 2.442 351 E HA 0.051 4.401 4.350 -0.000 0.000 0.195 351 E C 0.223 176.896 176.600 0.122 0.000 1.030 351 E CA 0.085 56.582 56.400 0.162 0.000 0.869 351 E CB 0.528 30.294 29.700 0.111 0.000 0.857 351 E HN 0.060 nan 8.360 nan 0.000 0.505 352 V N 2.034 122.036 119.914 0.146 0.000 2.472 352 V HA 0.077 4.197 4.120 -0.000 0.000 0.290 352 V C 0.387 176.547 176.094 0.110 0.000 1.037 352 V CA -0.592 61.776 62.300 0.113 0.000 0.908 352 V CB 1.638 33.532 31.823 0.117 0.000 0.985 352 V HN 0.044 nan 8.190 nan 0.000 0.454 353 T N 5.633 120.236 114.554 0.081 0.000 2.891 353 T HA -0.018 4.332 4.350 -0.000 0.000 0.296 353 T C 0.935 175.682 174.700 0.078 0.000 1.025 353 T CA 0.568 62.711 62.100 0.072 0.000 1.149 353 T CB -0.345 68.554 68.868 0.053 0.000 1.007 353 T HN 0.865 nan 8.240 nan 0.000 0.528 354 N N 0.872 119.618 118.700 0.077 0.000 2.741 354 N HA -0.172 4.568 4.740 -0.000 0.000 0.251 354 N C -0.141 175.430 175.510 0.102 0.000 1.112 354 N CA 0.954 54.050 53.050 0.077 0.000 0.750 354 N CB -0.820 37.703 38.487 0.061 0.000 1.119 354 N HN 0.850 nan 8.380 nan 0.000 0.561 355 Q N 0.500 120.378 119.800 0.130 0.000 2.353 355 Q HA 0.598 4.938 4.340 -0.000 0.000 0.268 355 Q C -0.624 175.503 176.000 0.211 0.000 1.045 355 Q CA -0.517 55.390 55.803 0.173 0.000 0.811 355 Q CB 1.536 30.388 28.738 0.190 0.000 1.305 355 Q HN 0.296 nan 8.270 nan 0.000 0.447 356 S N 2.271 118.117 115.700 0.243 0.000 2.667 356 S HA 0.867 5.337 4.470 -0.000 0.000 0.292 356 S C -0.847 173.935 174.600 0.305 0.000 1.126 356 S CA -0.730 57.608 58.200 0.231 0.000 0.881 356 S CB 1.144 64.444 63.200 0.166 0.000 1.132 356 S HN 0.597 nan 8.310 nan 0.000 0.492 357 F N -1.290 118.684 119.950 0.040 0.000 2.675 357 F HA 0.893 5.420 4.527 -0.000 0.000 0.324 357 F C -0.632 174.985 175.800 -0.305 0.000 1.106 357 F CA -1.324 56.547 58.000 -0.215 0.000 0.970 357 F CB 1.391 40.026 39.000 -0.608 0.000 1.385 357 F HN 0.943 nan 8.300 nan 0.000 0.489 358 R N 1.807 122.088 120.500 -0.364 0.000 2.795 358 R HA 0.830 5.170 4.340 -0.000 0.000 0.275 358 R C -1.560 174.471 176.300 -0.448 0.000 0.981 358 R CA -0.960 54.686 56.100 -0.756 0.000 0.917 358 R CB 2.508 31.985 30.300 -1.371 0.000 1.202 358 R HN 0.994 nan 8.270 nan 0.000 0.469 359 I N -0.805 119.445 120.570 -0.534 0.000 2.474 359 I HA 0.526 4.695 4.170 -0.000 0.000 0.294 359 I C -1.045 174.936 176.117 -0.228 0.000 1.005 359 I CA -0.742 60.291 61.300 -0.446 0.000 1.113 359 I CB 2.511 39.918 38.000 -0.988 0.000 1.289 359 I HN 0.503 nan 8.210 nan 0.000 0.436 360 T N 7.074 121.646 114.554 0.029 0.000 2.792 360 T HA 0.611 4.961 4.350 -0.000 0.000 0.280 360 T C -0.117 174.703 174.700 0.200 0.000 0.990 360 T CA -0.324 61.814 62.100 0.063 0.000 0.960 360 T CB 1.450 70.325 68.868 0.011 0.000 0.939 360 T HN 0.421 nan 8.240 nan 0.000 0.439 361 I N 3.459 124.134 120.570 0.175 0.000 2.460 361 I HA 0.472 4.642 4.170 -0.000 0.000 0.298 361 I C -0.269 175.948 176.117 0.167 0.000 0.989 361 I CA -0.962 60.449 61.300 0.184 0.000 1.173 361 I CB 1.408 39.554 38.000 0.244 0.000 1.338 361 I HN 0.324 nan 8.210 nan 0.000 0.456 362 L N 6.418 127.681 121.223 0.067 0.000 2.332 362 L HA 0.435 4.775 4.340 -0.000 0.000 0.269 362 L C -1.413 175.301 176.870 -0.260 0.000 1.016 362 L CA -1.546 53.289 54.840 -0.009 0.000 0.809 362 L CB 1.385 43.402 42.059 -0.070 0.000 1.280 362 L HN 0.383 nan 8.230 nan 0.000 0.447 363 P HA -0.159 nan 4.420 nan 0.000 0.225 363 P C 0.735 177.701 177.300 -0.557 0.000 1.148 363 P CA 1.080 63.570 63.100 -1.017 0.000 0.779 363 P CB 0.370 31.803 31.700 -0.444 0.000 0.780 364 Q N -0.410 119.080 119.800 -0.517 0.000 2.364 364 Q HA -0.140 4.200 4.340 -0.000 0.000 0.209 364 Q C 2.079 177.926 176.000 -0.256 0.000 0.977 364 Q CA 1.421 56.876 55.803 -0.580 0.000 0.885 364 Q CB -0.420 27.860 28.738 -0.764 0.000 0.941 364 Q HN 0.334 nan 8.270 nan 0.000 0.464 365 Q N -1.738 117.938 119.800 -0.207 0.000 2.304 365 Q HA -0.004 4.336 4.340 -0.000 0.000 0.204 365 Q C 1.188 177.198 176.000 0.017 0.000 0.936 365 Q CA 0.873 56.640 55.803 -0.060 0.000 0.878 365 Q CB -0.058 28.679 28.738 -0.002 0.000 0.983 365 Q HN 0.677 nan 8.270 nan 0.000 0.516 366 Y N -1.175 119.140 120.300 0.026 0.000 2.490 366 Y HA 0.400 4.950 4.550 -0.000 0.000 0.281 366 Y C -0.188 175.718 175.900 0.009 0.000 1.174 366 Y CA -0.308 57.789 58.100 -0.005 0.000 1.295 366 Y CB -0.145 38.304 38.460 -0.018 0.000 1.062 366 Y HN -0.168 nan 8.280 nan 0.000 0.522 367 L N 2.987 124.214 121.223 0.007 0.000 2.276 367 L HA 0.450 4.790 4.340 -0.000 0.000 0.286 367 L C -0.022 176.997 176.870 0.249 0.000 1.024 367 L CA -0.719 54.193 54.840 0.120 0.000 0.826 367 L CB 1.442 43.432 42.059 -0.116 0.000 1.211 367 L HN 0.083 nan 8.230 nan 0.000 0.422 368 R N 5.039 125.700 120.500 0.269 0.000 2.221 368 R HA 0.366 4.706 4.340 -0.000 0.000 0.327 368 R C -2.463 174.006 176.300 0.282 0.000 1.033 368 R CA -1.521 54.719 56.100 0.233 0.000 0.887 368 R CB 1.089 31.468 30.300 0.131 0.000 1.057 368 R HN 0.226 nan 8.270 nan 0.000 0.455 369 P HA -0.073 nan 4.420 nan 0.000 0.264 369 P C -1.284 176.004 177.300 -0.020 0.000 1.193 369 P CA 0.044 63.162 63.100 0.029 0.000 0.763 369 P CB 0.864 32.601 31.700 0.062 0.000 0.810 370 V N 0.473 120.331 119.914 -0.092 0.000 2.808 370 V HA 0.550 4.670 4.120 -0.000 0.000 0.308 370 V C -0.440 175.614 176.094 -0.065 0.000 1.099 370 V CA -1.381 60.892 62.300 -0.044 0.000 0.920 370 V CB 2.083 33.902 31.823 -0.006 0.000 1.014 370 V HN 0.219 nan 8.190 nan 0.000 0.425 371 E N 2.554 122.733 120.200 -0.036 0.000 2.376 371 E HA 0.183 4.533 4.350 -0.000 0.000 0.266 371 E C -0.196 176.385 176.600 -0.033 0.000 1.009 371 E CA 0.337 56.719 56.400 -0.031 0.000 0.902 371 E CB 0.809 30.500 29.700 -0.015 0.000 0.972 371 E HN 0.948 nan 8.360 nan 0.000 0.439 372 D N 2.763 123.140 120.400 -0.038 0.000 2.455 372 D HA -0.064 4.575 4.640 -0.000 0.000 0.241 372 D C 0.705 176.991 176.300 -0.023 0.000 1.138 372 D CA -0.018 53.961 54.000 -0.034 0.000 0.877 372 D CB 0.951 41.729 40.800 -0.037 0.000 1.187 372 D HN 0.300 nan 8.370 nan 0.000 0.451 373 V N 3.216 123.119 119.914 -0.020 0.000 3.099 373 V HA -0.187 3.932 4.120 -0.000 0.000 0.269 373 V C 1.740 177.825 176.094 -0.014 0.000 1.150 373 V CA 2.048 64.339 62.300 -0.014 0.000 1.165 373 V CB -1.059 30.758 31.823 -0.010 0.000 0.756 373 V HN 0.694 nan 8.190 nan 0.000 0.527 374 A N -2.057 120.753 122.820 -0.016 0.000 2.431 374 A HA 0.286 4.606 4.320 -0.000 0.000 0.239 374 A C 1.366 178.942 177.584 -0.014 0.000 1.230 374 A CA 0.835 52.863 52.037 -0.014 0.000 0.928 374 A CB 0.183 19.174 19.000 -0.015 0.000 1.006 374 A HN 0.435 nan 8.150 nan 0.000 0.520 375 T N 0.662 115.207 114.554 -0.015 0.000 7.366 375 T HA -0.239 4.111 4.350 -0.000 0.000 0.298 375 T C 0.889 175.581 174.700 -0.012 0.000 2.046 375 T CA 1.023 63.115 62.100 -0.013 0.000 3.126 375 T CB -2.556 66.305 68.868 -0.011 0.000 2.130 375 T HN 1.400 nan 8.240 nan 0.000 1.215 376 S N 0.767 116.459 115.700 -0.014 0.000 2.687 376 S HA 0.067 4.537 4.470 -0.000 0.000 0.248 376 S C 1.065 175.660 174.600 -0.009 0.000 1.390 376 S CA -0.063 58.130 58.200 -0.011 0.000 0.963 376 S CB 0.437 63.629 63.200 -0.012 0.000 0.957 376 S HN 0.563 nan 8.310 nan 0.000 0.584 377 Q N 0.048 119.845 119.800 -0.004 0.000 2.360 377 Q HA 0.142 4.482 4.340 -0.000 0.000 0.202 377 Q C -0.651 175.355 176.000 0.010 0.000 0.915 377 Q CA -0.101 55.701 55.803 -0.001 0.000 0.943 377 Q CB -0.046 28.692 28.738 -0.000 0.000 1.064 377 Q HN 0.598 nan 8.270 nan 0.000 0.511 378 D N 1.638 122.044 120.400 0.010 0.000 2.362 378 D HA 0.062 4.702 4.640 -0.000 0.000 0.242 378 D C -0.421 175.891 176.300 0.020 0.000 1.132 378 D CA 0.273 54.290 54.000 0.029 0.000 0.907 378 D CB 0.732 41.541 40.800 0.014 0.000 1.195 378 D HN -0.071 nan 8.370 nan 0.000 0.429 379 D N 0.863 121.306 120.400 0.072 0.000 2.313 379 D HA 0.232 4.872 4.640 -0.000 0.000 0.239 379 D C -0.356 175.911 176.300 -0.056 0.000 1.142 379 D CA -0.143 53.868 54.000 0.018 0.000 0.847 379 D CB 0.624 41.532 40.800 0.180 0.000 1.082 379 D HN 0.172 nan 8.370 nan 0.000 0.480 380 c N 2.704 121.096 118.600 -0.347 0.000 2.614 380 c HA 0.680 5.250 4.570 -0.000 0.000 0.320 380 c C -0.680 173.054 174.090 -0.593 0.000 1.200 380 c CA -0.767 55.391 56.329 -0.285 0.000 1.700 380 c CB 0.292 42.718 42.510 -0.140 0.000 2.275 380 c HN 0.546 nan 8.230 nan 0.000 0.492 381 Y N -0.169 120.192 120.300 0.101 0.000 2.597 381 Y HA 0.537 5.087 4.550 -0.000 0.000 0.340 381 Y C -0.084 175.921 175.900 0.175 0.000 1.097 381 Y CA -0.981 57.207 58.100 0.147 0.000 1.037 381 Y CB 1.277 39.852 38.460 0.192 0.000 1.305 381 Y HN 0.440 nan 8.280 nan 0.000 0.463 382 K N 1.265 121.857 120.400 0.320 0.000 2.203 382 K HA 0.388 4.708 4.320 -0.000 0.000 0.251 382 K C -1.422 175.309 176.600 0.217 0.000 0.944 382 K CA -0.950 55.479 56.287 0.236 0.000 0.829 382 K CB 1.968 34.544 32.500 0.127 0.000 1.125 382 K HN 0.534 nan 8.250 nan 0.000 0.430 383 F N 2.023 121.846 119.950 -0.212 0.000 2.502 383 F HA 0.140 4.667 4.527 -0.000 0.000 0.371 383 F C 0.468 176.229 175.800 -0.065 0.000 1.083 383 F CA -0.528 57.281 58.000 -0.318 0.000 1.174 383 F CB 0.442 38.859 39.000 -0.972 0.000 1.096 383 F HN 0.628 nan 8.300 nan 0.000 0.545 384 A N 8.039 130.708 122.820 -0.251 0.000 2.640 384 A HA 0.401 4.721 4.320 -0.000 0.000 0.282 384 A C 0.040 177.428 177.584 -0.327 0.000 1.357 384 A CA -0.229 51.690 52.037 -0.197 0.000 0.946 384 A CB -1.132 17.854 19.000 -0.022 0.000 1.065 384 A HN 0.629 nan 8.150 nan 0.000 0.541 385 I N 0.341 120.491 120.570 -0.701 0.000 2.436 385 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 385 I C -0.440 175.616 176.117 -0.102 0.000 1.010 385 I CA -0.194 60.843 61.300 -0.439 0.000 1.098 385 I CB 2.201 39.832 38.000 -0.615 0.000 1.266 385 I HN 0.079 nan 8.210 nan 0.000 0.434 386 S N 4.378 120.047 115.700 -0.051 0.000 2.599 386 S HA 0.372 4.842 4.470 -0.000 0.000 0.294 386 S C -0.721 173.554 174.600 -0.541 0.000 1.094 386 S CA -0.661 57.392 58.200 -0.245 0.000 0.931 386 S CB 2.209 65.302 63.200 -0.179 0.000 1.093 386 S HN 0.615 nan 8.310 nan 0.000 0.488 387 Q N 1.148 120.318 119.800 -1.050 0.000 2.352 387 Q HA 0.420 4.760 4.340 -0.000 0.000 0.260 387 Q C -0.688 175.113 176.000 -0.332 0.000 0.976 387 Q CA 0.035 55.335 55.803 -0.838 0.000 0.881 387 Q CB 0.752 28.991 28.738 -0.831 0.000 1.235 387 Q HN 0.587 nan 8.270 nan 0.000 0.419 388 S N 1.158 116.748 115.700 -0.184 0.000 2.513 388 S HA 0.381 4.851 4.470 -0.000 0.000 0.299 388 S C 0.051 174.589 174.600 -0.103 0.000 1.087 388 S CA -0.247 57.878 58.200 -0.126 0.000 1.012 388 S CB 1.487 64.625 63.200 -0.104 0.000 1.044 388 S HN 0.720 nan 8.310 nan 0.000 0.485 389 S N 1.248 116.884 115.700 -0.106 0.000 2.559 389 S HA 0.108 4.578 4.470 -0.000 0.000 0.226 389 S C 0.835 175.338 174.600 -0.162 0.000 1.000 389 S CA 0.385 58.520 58.200 -0.107 0.000 0.948 389 S CB -0.088 63.071 63.200 -0.067 0.000 0.870 389 S HN 0.840 nan 8.310 nan 0.000 0.497 390 T N -1.533 112.922 114.554 -0.164 0.000 3.266 390 T HA 0.618 4.968 4.350 -0.000 0.000 0.278 390 T C 0.888 175.455 174.700 -0.223 0.000 1.010 390 T CA 0.103 62.090 62.100 -0.188 0.000 0.909 390 T CB -0.044 68.732 68.868 -0.153 0.000 1.122 390 T HN 1.234 nan 8.240 nan 0.000 0.536 391 G N 1.097 109.760 108.800 -0.228 0.000 2.685 391 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.387 391 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.387 391 G C -0.463 174.373 174.900 -0.107 0.000 1.324 391 G CA -0.650 44.343 45.100 -0.178 0.000 0.878 391 G HN 0.487 nan 8.290 nan 0.000 0.527 392 T N 0.149 114.669 114.554 -0.057 0.000 2.884 392 T HA 0.500 4.850 4.350 -0.000 0.000 0.298 392 T C 0.303 174.969 174.700 -0.056 0.000 0.998 392 T CA 0.167 62.249 62.100 -0.030 0.000 1.124 392 T CB 1.314 70.187 68.868 0.008 0.000 0.931 392 T HN 1.158 nan 8.240 nan 0.000 0.531 393 V N 5.068 124.954 119.914 -0.047 0.000 2.443 393 V HA 0.322 4.442 4.120 -0.000 0.000 0.293 393 V C -0.061 176.030 176.094 -0.004 0.000 1.021 393 V CA -0.744 61.530 62.300 -0.044 0.000 0.848 393 V CB 1.478 33.260 31.823 -0.067 0.000 0.998 393 V HN 0.900 nan 8.190 nan 0.000 0.424 394 M N 4.548 124.164 119.600 0.027 0.000 2.319 394 M HA 0.386 4.866 4.480 -0.000 0.000 0.343 394 M C 0.976 177.325 176.300 0.082 0.000 1.364 394 M CA 0.154 55.490 55.300 0.061 0.000 1.292 394 M CB 0.547 33.200 32.600 0.090 0.000 1.432 394 M HN 0.797 nan 8.290 nan 0.000 0.448 395 G N 1.139 109.978 108.800 0.064 0.000 2.535 395 G HA2 0.472 4.432 3.960 -0.000 0.000 0.282 395 G HA3 0.472 4.432 3.960 -0.000 0.000 0.282 395 G C 0.883 175.843 174.900 0.100 0.000 1.350 395 G CA -0.044 45.098 45.100 0.069 0.000 1.039 395 G HN 0.740 nan 8.290 nan 0.000 0.509 396 A N -1.067 121.816 122.820 0.105 0.000 1.948 396 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 396 A C 2.587 180.248 177.584 0.128 0.000 1.177 396 A CA 3.088 55.205 52.037 0.134 0.000 0.636 396 A CB -1.009 18.116 19.000 0.209 0.000 0.815 396 A HN 1.362 nan 8.150 nan 0.000 0.449 397 V N -2.294 117.687 119.914 0.112 0.000 2.594 397 V HA -0.162 3.958 4.120 -0.000 0.000 0.253 397 V C 2.017 178.178 176.094 0.111 0.000 1.069 397 V CA 1.665 64.027 62.300 0.102 0.000 1.082 397 V CB -0.835 31.041 31.823 0.088 0.000 0.680 397 V HN 0.425 nan 8.190 nan 0.000 0.469 398 I N -0.143 120.511 120.570 0.140 0.000 2.400 398 I HA -0.009 4.161 4.170 -0.000 0.000 0.248 398 I C 2.617 178.912 176.117 0.297 0.000 1.109 398 I CA 1.564 62.993 61.300 0.214 0.000 1.425 398 I CB -0.907 37.210 38.000 0.195 0.000 1.094 398 I HN 0.323 nan 8.210 nan 0.000 0.425 399 M N 0.283 120.020 119.600 0.227 0.000 2.279 399 M HA -0.169 4.311 4.480 -0.000 0.000 0.264 399 M C 1.832 178.204 176.300 0.120 0.000 1.062 399 M CA 1.388 56.823 55.300 0.225 0.000 1.099 399 M CB -0.485 32.195 32.600 0.134 0.000 1.394 399 M HN 0.209 nan 8.290 nan 0.000 0.426 400 E N 0.120 120.348 120.200 0.047 0.000 2.333 400 E HA -0.112 4.238 4.350 -0.000 0.000 0.198 400 E C 1.966 178.510 176.600 -0.093 0.000 1.007 400 E CA 0.881 57.266 56.400 -0.025 0.000 0.845 400 E CB -0.195 29.507 29.700 0.005 0.000 0.766 400 E HN 0.634 nan 8.360 nan 0.000 0.507 401 G N -0.159 108.497 108.800 -0.240 0.000 2.939 401 G HA2 0.096 4.056 3.960 -0.000 0.000 0.210 401 G HA3 0.096 4.056 3.960 -0.000 0.000 0.210 401 G C 0.119 174.365 174.900 -1.090 0.000 1.160 401 G CA -0.104 44.581 45.100 -0.691 0.000 0.770 401 G HN -0.011 nan 8.290 nan 0.000 0.543 402 F N -2.075 117.907 119.950 0.053 0.000 2.613 402 F HA 0.475 5.002 4.527 -0.000 0.000 0.314 402 F C -0.920 174.936 175.800 0.093 0.000 1.075 402 F CA -1.747 56.299 58.000 0.077 0.000 0.945 402 F CB 1.527 40.628 39.000 0.168 0.000 1.310 402 F HN -0.096 nan 8.300 nan 0.000 0.467 403 Y N 2.292 122.654 120.300 0.104 0.000 2.350 403 Y HA 0.638 5.188 4.550 -0.000 0.000 0.340 403 Y C -0.970 174.815 175.900 -0.191 0.000 1.006 403 Y CA -1.394 56.681 58.100 -0.042 0.000 1.166 403 Y CB 0.771 39.197 38.460 -0.056 0.000 1.168 403 Y HN 0.299 nan 8.280 nan 0.000 0.502 404 V N 7.452 127.081 119.914 -0.475 0.000 2.409 404 V HA 0.360 4.480 4.120 -0.000 0.000 0.291 404 V C -0.672 174.842 176.094 -0.966 0.000 1.020 404 V CA -1.031 60.773 62.300 -0.827 0.000 0.848 404 V CB 1.362 32.763 31.823 -0.704 0.000 0.990 404 V HN 0.552 nan 8.190 nan 0.000 0.430 405 V N 5.588 124.855 119.914 -1.078 0.000 2.350 405 V HA 0.413 4.533 4.120 -0.000 0.000 0.276 405 V C -0.404 175.157 176.094 -0.889 0.000 1.028 405 V CA -0.288 61.507 62.300 -0.841 0.000 0.860 405 V CB 0.955 32.400 31.823 -0.629 0.000 0.990 405 V HN 0.710 nan 8.190 nan 0.000 0.453 406 F N 2.952 122.376 119.950 -0.875 0.000 2.451 406 F HA 0.286 4.813 4.527 -0.000 0.000 0.356 406 F C 0.749 176.174 175.800 -0.626 0.000 1.178 406 F CA -0.451 56.972 58.000 -0.962 0.000 1.210 406 F CB 0.489 38.376 39.000 -1.855 0.000 1.504 406 F HN 0.429 nan 8.300 nan 0.000 0.598 407 D N 3.049 123.320 120.400 -0.216 0.000 2.517 407 D HA 0.121 4.761 4.640 -0.000 0.000 0.220 407 D C 1.320 177.638 176.300 0.030 0.000 1.158 407 D CA -0.001 53.952 54.000 -0.079 0.000 0.992 407 D CB 0.325 41.096 40.800 -0.048 0.000 1.058 407 D HN 0.432 nan 8.370 nan 0.000 0.516 408 R N 1.788 122.338 120.500 0.084 0.000 2.115 408 R HA -0.044 4.296 4.340 -0.000 0.000 0.230 408 R C 2.063 178.469 176.300 0.177 0.000 1.111 408 R CA 1.286 57.526 56.100 0.232 0.000 0.976 408 R CB 0.008 30.491 30.300 0.304 0.000 0.870 408 R HN 0.359 nan 8.270 nan 0.000 0.445 409 A N 1.066 123.958 122.820 0.121 0.000 1.972 409 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 409 A C 1.714 179.325 177.584 0.046 0.000 1.169 409 A CA 1.181 53.271 52.037 0.087 0.000 0.635 409 A CB -0.113 18.930 19.000 0.071 0.000 0.810 409 A HN 0.209 nan 8.150 nan 0.000 0.446 410 R N -1.667 118.844 120.500 0.018 0.000 2.472 410 R HA 0.211 4.551 4.340 -0.000 0.000 0.279 410 R C 0.098 176.401 176.300 0.005 0.000 0.953 410 R CA 0.255 56.343 56.100 -0.020 0.000 1.088 410 R CB 0.141 30.381 30.300 -0.101 0.000 1.197 410 R HN 0.456 nan 8.270 nan 0.000 0.536 411 K N 2.063 122.500 120.400 0.061 0.000 3.148 411 K HA -0.234 4.086 4.320 -0.000 0.000 0.267 411 K C -1.112 175.548 176.600 0.099 0.000 0.996 411 K CA 0.825 57.170 56.287 0.096 0.000 0.737 411 K CB -0.680 31.855 32.500 0.059 0.000 1.308 411 K HN 0.440 nan 8.250 nan 0.000 0.470 412 R N -0.053 120.503 120.500 0.092 0.000 2.739 412 R HA 0.630 4.969 4.340 -0.000 0.000 0.271 412 R C -0.832 175.525 176.300 0.095 0.000 1.010 412 R CA -1.166 55.004 56.100 0.116 0.000 0.897 412 R CB 1.160 31.506 30.300 0.077 0.000 1.236 412 R HN 0.083 nan 8.270 nan 0.000 0.466 413 I N 1.250 121.871 120.570 0.087 0.000 2.406 413 I HA 0.443 4.613 4.170 -0.000 0.000 0.290 413 I C 0.091 176.059 176.117 -0.248 0.000 0.999 413 I CA -0.925 60.240 61.300 -0.226 0.000 1.124 413 I CB 2.237 40.032 38.000 -0.342 0.000 1.289 413 I HN 0.877 nan 8.210 nan 0.000 0.441 414 G N 5.348 113.760 108.800 -0.647 0.000 2.389 414 G HA2 0.720 4.680 3.960 -0.000 0.000 0.328 414 G HA3 0.720 4.680 3.960 -0.000 0.000 0.328 414 G C -1.291 173.038 174.900 -0.952 0.000 1.133 414 G CA -0.231 44.227 45.100 -1.071 0.000 0.891 414 G HN 0.334 nan 8.290 nan 0.000 0.485 415 F N 0.429 120.020 119.950 -0.599 0.000 2.540 415 F HA 0.743 5.270 4.527 -0.000 0.000 0.317 415 F C 0.391 176.027 175.800 -0.274 0.000 1.104 415 F CA -0.621 57.154 58.000 -0.375 0.000 0.913 415 F CB 2.749 41.570 39.000 -0.297 0.000 1.170 415 F HN 0.715 nan 8.300 nan 0.000 0.450 416 A N 1.464 124.328 122.820 0.072 0.000 2.572 416 A HA 0.735 5.054 4.320 -0.000 0.000 0.295 416 A C -1.387 176.394 177.584 0.329 0.000 1.072 416 A CA -0.853 51.264 52.037 0.134 0.000 0.691 416 A CB 1.129 20.060 19.000 -0.114 0.000 1.291 416 A HN 0.469 nan 8.150 nan 0.000 0.404 417 V N 1.756 121.836 119.914 0.278 0.000 2.557 417 V HA 0.187 4.307 4.120 -0.000 0.000 0.301 417 V C 1.243 177.406 176.094 0.116 0.000 1.026 417 V CA 0.514 62.880 62.300 0.112 0.000 1.137 417 V CB 1.073 32.893 31.823 -0.005 0.000 0.917 417 V HN 0.932 nan 8.190 nan 0.000 0.484 418 S N 4.180 119.883 115.700 0.005 0.000 2.531 418 S HA 0.341 4.811 4.470 -0.000 0.000 0.279 418 S C 1.305 176.005 174.600 0.167 0.000 1.305 418 S CA -0.161 58.100 58.200 0.102 0.000 1.058 418 S CB 1.143 64.373 63.200 0.050 0.000 0.899 418 S HN 1.009 nan 8.310 nan 0.000 0.493 419 A N 3.374 126.247 122.820 0.088 0.000 2.172 419 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 419 A C 1.753 179.362 177.584 0.042 0.000 1.154 419 A CA 1.151 53.220 52.037 0.053 0.000 0.701 419 A CB -1.067 17.922 19.000 -0.018 0.000 0.789 419 A HN 1.238 nan 8.150 nan 0.000 0.465 420 c N -0.926 117.702 118.600 0.046 0.000 2.994 420 c HA 0.394 4.964 4.570 -0.000 0.000 0.284 420 c C 0.711 174.799 174.090 -0.004 0.000 1.404 420 c CA -0.428 55.901 56.329 -0.000 0.000 1.775 420 c CB -1.860 40.638 42.510 -0.019 0.000 2.458 420 c HN 0.652 nan 8.230 nan 0.000 0.593 421 H N 0.406 119.444 119.070 -0.054 0.000 2.629 421 H HA 0.549 5.105 4.556 -0.000 0.000 0.357 421 H C -0.644 174.671 175.328 -0.023 0.000 1.121 421 H CA -0.248 55.748 56.048 -0.087 0.000 1.406 421 H CB 0.788 30.445 29.762 -0.176 0.000 1.456 421 H HN 0.158 nan 8.280 nan 0.000 0.579 422 V N 5.573 125.396 119.914 -0.152 0.000 2.583 422 V HA 0.203 4.323 4.120 -0.000 0.000 0.287 422 V C 0.654 176.595 176.094 -0.254 0.000 1.051 422 V CA -0.070 62.075 62.300 -0.259 0.000 1.010 422 V CB 0.445 32.137 31.823 -0.218 0.000 0.988 422 V HN 1.074 nan 8.190 nan 0.000 0.478 423 H N 2.443 121.275 119.070 -0.398 0.000 3.110 423 H HA 0.661 5.217 4.556 -0.000 0.000 0.277 423 H C -1.513 173.602 175.328 -0.354 0.000 1.571 423 H CA -0.797 55.038 56.048 -0.357 0.000 1.206 423 H CB 1.613 31.224 29.762 -0.250 0.000 1.852 423 H HN 0.637 nan 8.280 nan 0.000 0.629 424 D N -1.311 118.995 120.400 -0.156 0.000 2.687 424 D HA 0.088 4.728 4.640 -0.000 0.000 0.264 424 D C 1.070 177.330 176.300 -0.067 0.000 1.091 424 D CA -0.535 53.351 54.000 -0.191 0.000 1.123 424 D CB 0.955 41.668 40.800 -0.145 0.000 1.407 424 D HN 0.599 nan 8.370 nan 0.000 0.591 425 E N -0.172 119.862 120.200 -0.276 0.000 2.347 425 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 425 E C 0.983 177.317 176.600 -0.443 0.000 1.008 425 E CA 0.956 57.103 56.400 -0.421 0.000 0.852 425 E CB -0.449 28.841 29.700 -0.683 0.000 0.783 425 E HN 0.583 nan 8.360 nan 0.000 0.505 426 F N 0.621 120.606 119.950 0.060 0.000 2.678 426 F HA 0.325 4.852 4.527 -0.000 0.000 0.291 426 F C 1.348 177.176 175.800 0.046 0.000 1.123 426 F CA -0.240 57.791 58.000 0.051 0.000 1.395 426 F CB 0.538 39.570 39.000 0.053 0.000 1.121 426 F HN -0.241 nan 8.300 nan 0.000 0.592 427 R N -0.675 119.938 120.500 0.189 0.000 2.771 427 R HA 0.565 4.905 4.340 -0.000 0.000 0.274 427 R C -1.015 175.321 176.300 0.060 0.000 0.987 427 R CA -0.592 55.580 56.100 0.120 0.000 0.908 427 R CB 2.269 32.644 30.300 0.126 0.000 1.213 427 R HN -0.199 nan 8.270 nan 0.000 0.468 428 T N -0.050 114.515 114.554 0.019 0.000 2.900 428 T HA 0.626 4.976 4.350 -0.000 0.000 0.303 428 T C -0.801 173.899 174.700 -0.001 0.000 1.142 428 T CA -0.399 61.696 62.100 -0.008 0.000 1.007 428 T CB 1.583 70.374 68.868 -0.128 0.000 1.156 428 T HN 0.682 nan 8.240 nan 0.000 0.490 429 A N 1.877 124.651 122.820 -0.076 0.000 2.429 429 A HA 0.760 5.080 4.320 -0.000 0.000 0.242 429 A C 0.415 177.902 177.584 -0.162 0.000 1.088 429 A CA 0.199 52.090 52.037 -0.242 0.000 0.784 429 A CB -0.347 18.229 19.000 -0.707 0.000 1.038 429 A HN 1.521 nan 8.150 nan 0.000 0.501 430 A N -0.168 122.658 122.820 0.010 0.000 2.606 430 A HA 0.644 4.964 4.320 -0.000 0.000 0.293 430 A C -1.311 176.356 177.584 0.139 0.000 1.082 430 A CA -0.394 51.676 52.037 0.056 0.000 0.685 430 A CB 1.449 20.461 19.000 0.020 0.000 1.284 430 A HN 1.414 nan 8.150 nan 0.000 0.408 431 V N 1.665 121.638 119.914 0.098 0.000 2.447 431 V HA 0.529 4.649 4.120 -0.000 0.000 0.292 431 V C -0.613 175.438 176.094 -0.072 0.000 1.021 431 V CA -0.257 62.063 62.300 0.033 0.000 0.850 431 V CB 1.218 33.123 31.823 0.137 0.000 1.005 431 V HN 0.946 nan 8.190 nan 0.000 0.426 432 E N 2.438 122.503 120.200 -0.226 0.000 2.340 432 E HA 0.853 5.203 4.350 -0.000 0.000 0.273 432 E C -0.082 176.139 176.600 -0.632 0.000 0.891 432 E CA -0.685 55.532 56.400 -0.306 0.000 0.757 432 E CB 2.921 32.584 29.700 -0.061 0.000 1.231 432 E HN 0.861 nan 8.360 nan 0.000 0.439 433 G N 1.621 109.860 108.800 -0.935 0.000 2.495 433 G HA2 0.514 4.474 3.960 -0.000 0.000 0.294 433 G HA3 0.514 4.474 3.960 -0.000 0.000 0.294 433 G C -2.947 171.562 174.900 -0.653 0.000 1.397 433 G CA -0.769 43.584 45.100 -1.245 0.000 0.790 433 G HN 0.382 nan 8.290 nan 0.000 0.486 434 P HA 0.800 nan 4.420 nan 0.000 0.285 434 P C -1.671 175.245 177.300 -0.639 0.000 1.285 434 P CA -0.695 62.167 63.100 -0.397 0.000 0.854 434 P CB 1.881 33.634 31.700 0.089 0.000 1.180 435 F N -1.204 118.768 119.950 0.037 0.000 2.547 435 F HA 0.253 4.780 4.527 -0.000 0.000 0.316 435 F C 0.146 175.981 175.800 0.058 0.000 1.121 435 F CA -1.128 56.908 58.000 0.060 0.000 0.911 435 F CB 2.000 41.069 39.000 0.115 0.000 1.179 435 F HN -0.081 nan 8.300 nan 0.000 0.443 436 V N 2.479 122.518 119.914 0.209 0.000 2.485 436 V HA 0.273 4.393 4.120 -0.000 0.000 0.287 436 V C -0.053 176.107 176.094 0.110 0.000 1.022 436 V CA 0.377 62.755 62.300 0.130 0.000 1.067 436 V CB 0.477 32.353 31.823 0.089 0.000 0.967 436 V HN 0.832 nan 8.190 nan 0.000 0.479 437 T N 6.649 121.257 114.554 0.089 0.000 3.011 437 T HA 0.549 4.899 4.350 -0.000 0.000 0.303 437 T C -0.521 174.204 174.700 0.042 0.000 0.997 437 T CA -0.467 61.662 62.100 0.048 0.000 1.007 437 T CB 1.104 70.001 68.868 0.049 0.000 1.017 437 T HN 0.342 nan 8.240 nan 0.000 0.443 438 L N 2.436 123.673 121.223 0.023 0.000 2.343 438 L HA 0.475 4.815 4.340 -0.000 0.000 0.275 438 L C 0.080 176.960 176.870 0.017 0.000 1.056 438 L CA -0.754 54.099 54.840 0.022 0.000 0.804 438 L CB 0.696 42.764 42.059 0.015 0.000 1.203 438 L HN 0.657 nan 8.230 nan 0.000 0.440 439 D N 1.511 121.924 120.400 0.021 0.000 2.772 439 D HA -0.224 4.416 4.640 -0.000 0.000 0.233 439 D C 1.076 177.390 176.300 0.024 0.000 1.143 439 D CA 0.868 54.879 54.000 0.019 0.000 0.700 439 D CB -0.699 40.106 40.800 0.009 0.000 1.076 439 D HN 0.588 nan 8.370 nan 0.000 0.430 440 M N -0.461 119.159 119.600 0.033 0.000 2.358 440 M HA -0.146 4.333 4.480 -0.000 0.000 0.264 440 M C 1.844 178.172 176.300 0.047 0.000 1.064 440 M CA 1.349 56.674 55.300 0.041 0.000 1.093 440 M CB -0.136 32.494 32.600 0.051 0.000 1.401 440 M HN 0.095 nan 8.290 nan 0.000 0.440 441 E N 0.339 120.565 120.200 0.043 0.000 2.347 441 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 441 E C 1.003 177.627 176.600 0.041 0.000 1.008 441 E CA 0.542 56.968 56.400 0.044 0.000 0.852 441 E CB -0.041 29.680 29.700 0.035 0.000 0.783 441 E HN 0.516 nan 8.360 nan 0.000 0.505 442 D N 0.101 120.520 120.400 0.032 0.000 2.363 442 D HA -0.055 4.585 4.640 -0.000 0.000 0.220 442 D C 1.355 177.679 176.300 0.040 0.000 0.994 442 D CA 0.447 54.463 54.000 0.027 0.000 0.890 442 D CB 0.044 40.852 40.800 0.012 0.000 0.906 442 D HN 0.237 nan 8.370 nan 0.000 0.530 443 c N 0.839 119.470 118.600 0.052 0.000 2.514 443 c HA 0.186 4.756 4.570 -0.000 0.000 0.271 443 c C 1.647 175.803 174.090 0.109 0.000 1.399 443 c CA -0.416 55.954 56.329 0.067 0.000 1.765 443 c CB -0.867 41.689 42.510 0.077 0.000 1.893 443 c HN 0.195 nan 8.230 nan 0.000 0.531 444 G N -0.862 108.004 108.800 0.110 0.000 2.432 444 G HA2 0.392 4.352 3.960 -0.000 0.000 0.257 444 G HA3 0.392 4.352 3.960 -0.000 0.000 0.257 444 G C -1.024 173.987 174.900 0.185 0.000 1.238 444 G CA 0.052 45.240 45.100 0.147 0.000 0.838 444 G HN 0.391 nan 8.290 nan 0.000 0.547 445 Y N 2.474 122.837 120.300 0.104 0.000 2.308 445 Y HA 0.383 4.933 4.550 -0.000 0.000 0.329 445 Y C 0.301 176.261 175.900 0.101 0.000 1.111 445 Y CA -0.919 57.252 58.100 0.117 0.000 1.179 445 Y CB 0.938 39.512 38.460 0.190 0.000 1.201 445 Y HN 0.482 nan 8.280 nan 0.000 0.483 446 N N 0.000 118.346 118.700 -0.590 0.000 1.763 446 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 446 N CA 0.000 52.792 53.050 -0.430 0.000 0.885 446 N CB 0.000 38.336 38.487 -0.251 0.000 1.341 446 N HN 0.000 nan 8.380 nan 0.000 0.667