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 2grv_1_B DATA FIRST_RESID 25 DATA SEQUENCE APTQIIMAID SIGPGFNPHL LSDQSPVNAA IASLVLPSSF RPVPDPTSPT DATA SEQUENCE GSRWELDTTL LESAEVTQEN PFTVTYKIRP EAQWTDNAPI AADDYWYLWR DATA SEQUENCE QMVSQPGVVD PAGYDLITGV QSVEGGKQAV VTFSQPYPAW RELFNDILPA DATA SEQUENCE HIVKDIPGGF GAGLARAMPV TGGQFRVETI DPQRDEILLA RNDRFWSVPA DATA SEQUENCE KPDLVLFRRG GAPAALADSI RNGDTQVAQV HGGAATFAQL SAIPDVRTAR DATA SEQUENCE IVTPRVMQLT LRAQQPKLAD PQVRKAILGL IDVDLLASVG AGDDNTVTLA DATA SEQUENCE QAQVRSPSDP GYVPTAPPAM TRDDALELLR DAGYVSEPXX XXXXXXXXXX DATA SEQUENCE XXXXRERIVK DGVPLTIVLG VASNDPTSVA VANTAADQLR NVGIDASVLA DATA SEQUENCE LDPVALYGDA LVNNRVDAVV GWRQAGGDLA TVLASRYGcR ALXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXAPSNITGI DATA SEQUENCE cDRSIQPRID AALDGTDDIA DVIQAVEPRL WNMATVLPIL QDTTIVAAGP DATA SEQUENCE SVQNVSLTGA VPVGIVGDAG DWTKT 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.593 177.584 0.014 0.000 1.274 25 A CA 0.000 52.044 52.037 0.011 0.000 0.836 25 A CB 0.000 19.006 19.000 0.010 0.000 0.831 26 P HA 0.537 nan 4.420 nan 0.000 0.269 26 P C -0.046 177.267 177.300 0.022 0.000 1.217 26 P CA 0.197 63.308 63.100 0.018 0.000 0.783 26 P CB 0.699 32.408 31.700 0.015 0.000 0.898 27 T N 0.025 114.597 114.554 0.030 0.000 3.305 27 T HA 0.144 4.499 4.350 0.009 0.000 0.309 27 T C -1.153 173.576 174.700 0.048 0.000 0.889 27 T CA -0.614 61.509 62.100 0.039 0.000 1.386 27 T CB -0.445 68.452 68.868 0.049 0.000 0.929 27 T HN 0.484 nan 8.240 nan 0.000 0.538 28 Q N 4.409 124.229 119.800 0.032 0.000 2.303 28 Q HA 0.589 4.934 4.340 0.009 0.000 0.257 28 Q C -0.875 175.133 176.000 0.013 0.000 0.941 28 Q CA -0.661 55.157 55.803 0.026 0.000 0.931 28 Q CB 0.821 29.567 28.738 0.013 0.000 1.215 28 Q HN 0.699 nan 8.270 nan 0.000 0.437 29 I N 5.306 125.886 120.570 0.018 0.000 2.336 29 I HA 0.298 4.473 4.170 0.009 0.000 0.292 29 I C -0.342 175.731 176.117 -0.073 0.000 0.991 29 I CA -0.499 60.800 61.300 -0.002 0.000 1.227 29 I CB 1.333 39.395 38.000 0.103 0.000 1.366 29 I HN 0.569 nan 8.210 nan 0.000 0.466 30 I N 7.102 127.617 120.570 -0.092 0.000 2.321 30 I HA 0.372 4.547 4.170 0.009 0.000 0.291 30 I C -0.161 175.859 176.117 -0.161 0.000 0.998 30 I CA -0.230 60.997 61.300 -0.122 0.000 1.227 30 I CB 1.212 39.166 38.000 -0.077 0.000 1.368 30 I HN 0.545 nan 8.210 nan 0.000 0.466 31 M N 6.513 125.970 119.600 -0.237 0.000 2.243 31 M HA 0.657 5.142 4.480 0.009 0.000 0.324 31 M C -0.742 175.494 176.300 -0.107 0.000 1.031 31 M CA -0.475 54.694 55.300 -0.219 0.000 0.949 31 M CB 1.527 33.911 32.600 -0.360 0.000 1.615 31 M HN 0.660 nan 8.290 nan 0.000 0.430 32 A N 6.164 128.957 122.820 -0.046 0.000 2.354 32 A HA 0.747 5.072 4.320 0.009 0.000 0.269 32 A C -0.486 177.134 177.584 0.060 0.000 1.109 32 A CA -0.639 51.404 52.037 0.010 0.000 0.800 32 A CB 0.164 19.162 19.000 -0.004 0.000 1.045 32 A HN 0.959 nan 8.150 nan 0.000 0.489 33 I N -1.842 118.784 120.570 0.092 0.000 3.174 33 I HA 0.485 4.660 4.170 0.009 0.000 0.313 33 I C -0.208 175.964 176.117 0.091 0.000 1.155 33 I CA -0.996 60.370 61.300 0.110 0.000 0.977 33 I CB 1.645 39.743 38.000 0.164 0.000 1.248 33 I HN 0.501 nan 8.210 nan 0.000 0.453 34 D N 1.359 121.819 120.400 0.101 0.000 2.097 34 D HA -0.039 4.607 4.640 0.009 0.000 0.197 34 D C 0.738 177.081 176.300 0.071 0.000 0.984 34 D CA 2.000 56.060 54.000 0.099 0.000 0.826 34 D CB 0.153 41.043 40.800 0.150 0.000 0.973 34 D HN 0.730 nan 8.370 nan 0.000 0.460 35 S N -1.284 114.456 115.700 0.067 0.000 2.643 35 S HA 0.177 4.653 4.470 0.009 0.000 0.266 35 S C 0.705 175.338 174.600 0.055 0.000 1.130 35 S CA -0.705 57.528 58.200 0.055 0.000 0.817 35 S CB 0.285 63.505 63.200 0.032 0.000 1.107 35 S HN 0.094 nan 8.310 nan 0.000 0.471 36 I N -0.275 120.336 120.570 0.069 0.000 2.756 36 I HA 0.478 4.654 4.170 0.009 0.000 0.262 36 I C 1.234 177.332 176.117 -0.032 0.000 1.225 36 I CA 0.763 62.128 61.300 0.108 0.000 1.472 36 I CB -1.370 36.764 38.000 0.224 0.000 1.094 36 I HN 1.416 nan 8.210 nan 0.000 0.454 37 G N 1.968 110.719 108.800 -0.082 0.000 2.728 37 G HA2 -0.189 3.776 3.960 0.009 0.000 0.294 37 G HA3 -0.189 3.776 3.960 0.009 0.000 0.294 37 G C -1.900 172.859 174.900 -0.235 0.000 1.342 37 G CA -0.167 44.823 45.100 -0.184 0.000 0.866 37 G HN 0.157 nan 8.290 nan 0.000 0.534 38 P HA 0.293 nan 4.420 nan 0.000 0.222 38 P C 1.061 178.202 177.300 -0.265 0.000 1.153 38 P CA 2.267 65.253 63.100 -0.189 0.000 0.798 38 P CB 0.367 31.990 31.700 -0.127 0.000 0.796 39 G N -1.325 107.161 108.800 -0.524 0.000 2.320 39 G HA2 0.375 4.340 3.960 0.009 0.000 0.296 39 G HA3 0.375 4.340 3.960 0.009 0.000 0.296 39 G C -1.336 173.010 174.900 -0.924 0.000 1.306 39 G CA -0.633 44.129 45.100 -0.564 0.000 0.836 39 G HN -0.069 nan 8.290 nan 0.000 0.517 40 F N 0.109 120.000 119.950 -0.099 0.000 2.817 40 F HA 0.396 4.926 4.527 0.005 0.000 0.319 40 F C 0.646 176.374 175.800 -0.120 0.000 1.136 40 F CA -0.709 57.226 58.000 -0.108 0.000 1.177 40 F CB 1.110 40.054 39.000 -0.094 0.000 1.088 40 F HN 0.287 nan 8.300 nan 0.000 0.520 41 N N 2.633 121.293 118.700 -0.066 0.000 2.500 41 N HA 0.238 4.983 4.740 0.009 0.000 0.236 41 N C -2.137 173.266 175.510 -0.178 0.000 1.022 41 N CA -2.377 50.588 53.050 -0.142 0.000 0.935 41 N CB 1.417 39.727 38.487 -0.294 0.000 1.147 41 N HN -0.103 nan 8.380 nan 0.000 0.512 42 P HA -0.016 nan 4.420 nan 0.000 0.234 42 P C 0.362 177.458 177.300 -0.340 0.000 1.167 42 P CA 0.970 63.896 63.100 -0.290 0.000 0.763 42 P CB 0.139 31.641 31.700 -0.330 0.000 0.835 43 H N -1.448 117.585 119.070 -0.062 0.000 2.539 43 H HA 0.233 4.795 4.556 0.009 0.000 0.269 43 H C 0.696 175.987 175.328 -0.061 0.000 0.980 43 H CA 0.129 56.162 56.048 -0.025 0.000 1.152 43 H CB 0.258 30.054 29.762 0.057 0.000 1.407 43 H HN 0.192 nan 8.280 nan 0.000 0.564 44 L N 1.268 122.461 121.223 -0.050 0.000 2.295 44 L HA 0.171 4.516 4.340 0.009 0.000 0.285 44 L C 1.375 178.188 176.870 -0.096 0.000 1.035 44 L CA -0.454 54.333 54.840 -0.088 0.000 0.806 44 L CB 2.284 44.267 42.059 -0.127 0.000 1.214 44 L HN -0.032 nan 8.230 nan 0.000 0.426 45 L N 1.454 122.587 121.223 -0.150 0.000 2.079 45 L HA -0.226 4.119 4.340 0.009 0.000 0.210 45 L C 2.613 179.490 176.870 0.013 0.000 1.081 45 L CA 1.653 56.428 54.840 -0.108 0.000 0.752 45 L CB -0.405 41.483 42.059 -0.285 0.000 0.896 45 L HN 0.929 nan 8.230 nan 0.000 0.433 46 S N -1.118 114.596 115.700 0.024 0.000 2.419 46 S HA -0.183 4.292 4.470 0.009 0.000 0.235 46 S C 1.293 175.904 174.600 0.018 0.000 1.019 46 S CA 1.482 59.748 58.200 0.109 0.000 0.982 46 S CB -0.312 62.959 63.200 0.118 0.000 0.789 46 S HN 0.398 nan 8.310 nan 0.000 0.490 47 D N 0.781 121.146 120.400 -0.059 0.000 2.349 47 D HA 0.141 4.786 4.640 0.009 0.000 0.214 47 D C 0.041 176.238 176.300 -0.172 0.000 1.063 47 D CA 0.109 54.022 54.000 -0.146 0.000 0.847 47 D CB -0.143 40.546 40.800 -0.185 0.000 0.933 47 D HN 0.317 nan 8.370 nan 0.000 0.513 48 Q N 0.880 120.610 119.800 -0.117 0.000 2.264 48 Q HA 0.148 4.493 4.340 0.009 0.000 0.296 48 Q C -0.027 175.794 176.000 -0.298 0.000 1.103 48 Q CA 0.527 56.238 55.803 -0.153 0.000 0.967 48 Q CB 0.632 29.338 28.738 -0.053 0.000 1.090 48 Q HN 0.020 nan 8.270 nan 0.000 0.379 49 S N 2.994 118.526 115.700 -0.280 0.000 2.543 49 S HA 0.419 4.894 4.470 0.009 0.000 0.274 49 S C -2.267 172.207 174.600 -0.211 0.000 1.149 49 S CA -1.082 56.936 58.200 -0.303 0.000 0.866 49 S CB 1.434 64.463 63.200 -0.286 0.000 1.111 49 S HN 0.230 nan 8.310 nan 0.000 0.457 50 P HA -0.017 nan 4.420 nan 0.000 0.220 50 P C 1.447 178.693 177.300 -0.089 0.000 1.148 50 P CA 0.812 63.846 63.100 -0.110 0.000 0.803 50 P CB -0.056 31.590 31.700 -0.090 0.000 0.782 51 V N 1.162 121.013 119.914 -0.104 0.000 2.283 51 V HA -0.185 3.940 4.120 0.009 0.000 0.243 51 V C 2.710 178.726 176.094 -0.132 0.000 1.039 51 V CA 1.954 64.189 62.300 -0.109 0.000 1.016 51 V CB -1.537 30.236 31.823 -0.084 0.000 0.650 51 V HN 0.189 nan 8.190 nan 0.000 0.449 52 N N 1.201 119.791 118.700 -0.183 0.000 2.037 52 N HA -0.258 4.487 4.740 0.009 0.000 0.196 52 N C 1.827 177.282 175.510 -0.091 0.000 1.034 52 N CA 2.330 55.279 53.050 -0.168 0.000 0.861 52 N CB -0.191 38.148 38.487 -0.247 0.000 1.039 52 N HN 0.451 nan 8.380 nan 0.000 0.427 53 A N 0.470 123.230 122.820 -0.099 0.000 1.972 53 A HA 0.069 4.394 4.320 0.009 0.000 0.219 53 A C 2.437 179.988 177.584 -0.056 0.000 1.169 53 A CA 1.958 53.956 52.037 -0.065 0.000 0.635 53 A CB -0.800 18.166 19.000 -0.057 0.000 0.810 53 A HN 0.526 nan 8.150 nan 0.000 0.446 54 A N 0.049 122.820 122.820 -0.083 0.000 1.872 54 A HA 0.011 4.336 4.320 0.009 0.000 0.214 54 A C 1.995 179.481 177.584 -0.163 0.000 1.187 54 A CA 1.502 53.480 52.037 -0.100 0.000 0.614 54 A CB -0.428 18.511 19.000 -0.102 0.000 0.826 54 A HN 0.382 nan 8.150 nan 0.000 0.442 55 I N 0.184 120.626 120.570 -0.214 0.000 2.202 55 I HA -0.206 3.969 4.170 0.009 0.000 0.242 55 I C 2.960 179.036 176.117 -0.068 0.000 1.091 55 I CA 1.436 62.615 61.300 -0.202 0.000 1.368 55 I CB -1.723 36.186 38.000 -0.152 0.000 1.058 55 I HN 0.350 nan 8.210 nan 0.000 0.410 56 A N 0.241 123.053 122.820 -0.013 0.000 1.908 56 A HA -0.252 4.073 4.320 0.009 0.000 0.218 56 A C 2.619 180.227 177.584 0.039 0.000 1.181 56 A CA 2.283 54.336 52.037 0.027 0.000 0.627 56 A CB -0.962 18.045 19.000 0.011 0.000 0.818 56 A HN 0.429 nan 8.150 nan 0.000 0.445 57 S N -0.904 114.805 115.700 0.014 0.000 2.400 57 S HA -0.086 4.389 4.470 0.009 0.000 0.232 57 S C 1.729 176.342 174.600 0.023 0.000 1.025 57 S CA 1.595 59.810 58.200 0.025 0.000 0.993 57 S CB -0.368 62.832 63.200 0.000 0.000 0.808 57 S HN 0.493 nan 8.310 nan 0.000 0.478 58 L N 0.571 121.796 121.223 0.003 0.000 2.463 58 L HA 0.187 4.532 4.340 0.009 0.000 0.219 58 L C 2.010 178.929 176.870 0.083 0.000 1.088 58 L CA 0.583 55.447 54.840 0.041 0.000 0.849 58 L CB 0.313 42.340 42.059 -0.054 0.000 1.012 58 L HN 0.416 nan 8.230 nan 0.000 0.468 59 V N -4.331 115.619 119.914 0.061 0.000 3.572 59 V HA 0.281 4.406 4.120 0.009 0.000 0.260 59 V C 0.680 176.860 176.094 0.143 0.000 1.324 59 V CA -0.249 62.103 62.300 0.087 0.000 1.068 59 V CB 0.168 32.033 31.823 0.070 0.000 0.837 59 V HN 0.003 nan 8.190 nan 0.000 0.450 60 L N 3.208 124.524 121.223 0.155 0.000 2.325 60 L HA 0.577 4.923 4.340 0.009 0.000 0.279 60 L C -2.329 174.666 176.870 0.209 0.000 1.054 60 L CA -1.885 53.097 54.840 0.237 0.000 0.804 60 L CB 1.641 43.845 42.059 0.241 0.000 1.200 60 L HN 0.092 nan 8.230 nan 0.000 0.436 61 P HA 0.264 nan 4.420 nan 0.000 0.277 61 P C -1.034 176.400 177.300 0.224 0.000 1.240 61 P CA -0.382 62.839 63.100 0.203 0.000 0.798 61 P CB 1.673 33.456 31.700 0.139 0.000 0.979 62 S N 0.225 116.063 115.700 0.229 0.000 2.595 62 S HA 0.319 4.794 4.470 0.009 0.000 0.281 62 S C 1.120 175.883 174.600 0.271 0.000 1.117 62 S CA -0.450 57.909 58.200 0.265 0.000 0.873 62 S CB 1.619 64.998 63.200 0.297 0.000 1.108 62 S HN 0.343 nan 8.310 nan 0.000 0.477 63 S N 0.456 116.361 115.700 0.343 0.000 2.371 63 S HA 0.239 4.715 4.470 0.009 0.000 0.224 63 S C -0.214 174.445 174.600 0.099 0.000 1.029 63 S CA 1.165 59.574 58.200 0.349 0.000 0.978 63 S CB -0.112 63.504 63.200 0.693 0.000 0.833 63 S HN 0.570 nan 8.310 nan 0.000 0.466 64 F N 0.648 120.811 119.950 0.354 0.000 2.576 64 F HA 0.554 5.086 4.527 0.008 0.000 0.313 64 F C 0.165 176.244 175.800 0.464 0.000 1.078 64 F CA -1.044 57.182 58.000 0.378 0.000 0.921 64 F CB 1.285 40.505 39.000 0.367 0.000 1.232 64 F HN -0.337 nan 8.300 nan 0.000 0.459 65 R N 2.570 123.358 120.500 0.480 0.000 2.445 65 R HA 0.439 4.784 4.340 0.009 0.000 0.308 65 R C -2.875 173.393 176.300 -0.054 0.000 0.961 65 R CA -2.179 54.051 56.100 0.217 0.000 0.862 65 R CB 1.762 32.128 30.300 0.110 0.000 1.144 65 R HN 0.213 nan 8.270 nan 0.000 0.447 66 P HA 0.216 nan 4.420 nan 0.000 0.280 66 P C -0.632 176.417 177.300 -0.419 0.000 1.244 66 P CA -0.334 62.215 63.100 -0.919 0.000 0.784 66 P CB 1.231 32.157 31.700 -1.289 0.000 0.913 67 V N 5.262 124.970 119.914 -0.343 0.000 2.638 67 V HA 0.307 4.432 4.120 0.009 0.000 0.306 67 V C -2.367 173.635 176.094 -0.154 0.000 1.052 67 V CA -2.340 59.854 62.300 -0.177 0.000 0.885 67 V CB 2.100 33.865 31.823 -0.096 0.000 0.999 67 V HN 0.419 nan 8.190 nan 0.000 0.424 68 P HA 0.119 nan 4.420 nan 0.000 0.258 68 P C -0.995 176.272 177.300 -0.054 0.000 1.172 68 P CA 0.552 63.608 63.100 -0.074 0.000 0.762 68 P CB 0.183 31.855 31.700 -0.046 0.000 0.764 69 D N 4.421 124.792 120.400 -0.048 0.000 2.470 69 D HA 0.228 4.874 4.640 0.009 0.000 0.233 69 D C -2.147 174.145 176.300 -0.012 0.000 1.372 69 D CA -2.109 51.875 54.000 -0.026 0.000 0.994 69 D CB 1.086 41.870 40.800 -0.027 0.000 1.377 69 D HN -0.018 nan 8.370 nan 0.000 0.586 70 P HA -0.081 nan 4.420 nan 0.000 0.221 70 P C 1.031 178.337 177.300 0.011 0.000 1.145 70 P CA 1.046 64.150 63.100 0.006 0.000 0.795 70 P CB 0.319 32.023 31.700 0.007 0.000 0.775 71 T N -2.111 112.448 114.554 0.008 0.000 2.951 71 T HA -0.048 4.308 4.350 0.009 0.000 0.268 71 T C 1.068 175.776 174.700 0.014 0.000 1.073 71 T CA 0.645 62.752 62.100 0.011 0.000 1.134 71 T CB -0.463 68.410 68.868 0.008 0.000 0.884 71 T HN 0.098 nan 8.240 nan 0.000 0.479 72 S N 1.817 117.525 115.700 0.014 0.000 2.528 72 S HA 0.158 4.633 4.470 0.009 0.000 0.277 72 S C -1.724 172.895 174.600 0.031 0.000 1.297 72 S CA -1.639 56.574 58.200 0.022 0.000 1.052 72 S CB 1.038 64.253 63.200 0.025 0.000 0.917 72 S HN -0.002 nan 8.310 nan 0.000 0.492 73 P HA -0.001 nan 4.420 nan 0.000 0.222 73 P C 1.139 178.474 177.300 0.059 0.000 1.147 73 P CA 0.865 63.992 63.100 0.044 0.000 0.790 73 P CB 0.122 31.845 31.700 0.038 0.000 0.780 74 T N -2.486 112.107 114.554 0.065 0.000 3.054 74 T HA 0.219 4.574 4.350 0.009 0.000 0.259 74 T C 1.479 176.214 174.700 0.059 0.000 1.092 74 T CA 1.167 63.317 62.100 0.083 0.000 1.121 74 T CB -0.566 68.381 68.868 0.133 0.000 0.912 74 T HN 0.240 nan 8.240 nan 0.000 0.489 75 G N 0.843 109.664 108.800 0.035 0.000 2.175 75 G HA2 -0.207 3.758 3.960 0.009 0.000 0.244 75 G HA3 -0.207 3.758 3.960 0.009 0.000 0.244 75 G C 0.215 175.094 174.900 -0.036 0.000 0.982 75 G CA 0.222 45.325 45.100 0.006 0.000 0.641 75 G HN 0.569 nan 8.290 nan 0.000 0.527 76 S N -0.336 115.334 115.700 -0.050 0.000 2.532 76 S HA 0.679 5.154 4.470 0.009 0.000 0.299 76 S C -0.187 174.306 174.600 -0.177 0.000 1.105 76 S CA -0.726 57.363 58.200 -0.185 0.000 1.018 76 S CB 2.278 65.268 63.200 -0.349 0.000 1.021 76 S HN 0.631 nan 8.310 nan 0.000 0.483 77 R N 1.681 122.061 120.500 -0.200 0.000 2.294 77 R HA 0.356 4.701 4.340 0.009 0.000 0.319 77 R C -1.657 174.542 176.300 -0.168 0.000 0.984 77 R CA -0.536 55.508 56.100 -0.093 0.000 0.861 77 R CB 0.604 30.883 30.300 -0.036 0.000 1.104 77 R HN 0.648 nan 8.270 nan 0.000 0.451 78 W N 3.987 125.270 121.300 -0.029 0.000 2.357 78 W HA 0.276 4.940 4.660 0.008 0.000 0.317 78 W C -0.120 176.509 176.519 0.183 0.000 1.101 78 W CA -0.417 56.948 57.345 0.033 0.000 1.380 78 W CB 0.896 30.291 29.460 -0.109 0.000 1.266 78 W HN 0.390 nan 8.180 nan 0.000 0.419 79 E N 2.537 122.961 120.200 0.374 0.000 2.231 79 E HA 0.242 4.597 4.350 0.009 0.000 0.277 79 E C -0.508 176.298 176.600 0.345 0.000 0.999 79 E CA -1.363 55.237 56.400 0.334 0.000 0.827 79 E CB 1.717 31.506 29.700 0.149 0.000 1.101 79 E HN 0.262 nan 8.360 nan 0.000 0.393 80 L N 3.041 124.355 121.223 0.152 0.000 2.540 80 L HA -0.030 4.315 4.340 0.009 0.000 0.276 80 L C -0.006 176.787 176.870 -0.128 0.000 1.212 80 L CA 0.452 55.094 54.840 -0.330 0.000 0.893 80 L CB 0.246 42.173 42.059 -0.220 0.000 1.138 80 L HN 0.383 nan 8.230 nan 0.000 0.491 81 D N 3.027 123.337 120.400 -0.150 0.000 2.402 81 D HA 0.034 4.679 4.640 0.009 0.000 0.235 81 D C 1.183 177.499 176.300 0.026 0.000 1.226 81 D CA 0.502 54.507 54.000 0.008 0.000 0.918 81 D CB 0.889 41.737 40.800 0.081 0.000 1.043 81 D HN 0.770 nan 8.370 nan 0.000 0.506 82 T N -0.168 114.408 114.554 0.036 0.000 3.051 82 T HA -0.115 4.240 4.350 0.009 0.000 0.269 82 T C 1.639 176.396 174.700 0.094 0.000 1.127 82 T CA 0.924 63.053 62.100 0.049 0.000 1.107 82 T CB -0.098 68.792 68.868 0.038 0.000 0.898 82 T HN 0.226 nan 8.240 nan 0.000 0.517 83 T N 1.868 116.497 114.554 0.125 0.000 2.770 83 T HA 0.101 4.456 4.350 0.009 0.000 0.263 83 T C 1.687 176.631 174.700 0.407 0.000 1.039 83 T CA 1.118 63.338 62.100 0.199 0.000 1.142 83 T CB -0.325 68.630 68.868 0.144 0.000 0.868 83 T HN 0.260 nan 8.240 nan 0.000 0.435 84 L N -0.317 121.093 121.223 0.312 0.000 2.145 84 L HA 0.397 4.743 4.340 0.009 0.000 0.201 84 L C 0.286 177.236 176.870 0.133 0.000 1.075 84 L CA 1.282 56.290 54.840 0.280 0.000 0.773 84 L CB -0.113 42.095 42.059 0.248 0.000 0.936 84 L HN 0.141 nan 8.230 nan 0.000 0.451 85 L N -0.316 120.974 121.223 0.112 0.000 2.325 85 L HA 0.286 4.631 4.340 0.009 0.000 0.278 85 L C 1.019 177.914 176.870 0.042 0.000 1.023 85 L CA -0.327 54.558 54.840 0.075 0.000 0.811 85 L CB 1.737 43.856 42.059 0.100 0.000 1.249 85 L HN 0.053 nan 8.230 nan 0.000 0.431 86 E N 0.709 120.923 120.200 0.023 0.000 2.076 86 E HA -0.026 4.329 4.350 0.009 0.000 0.190 86 E C -0.050 176.559 176.600 0.014 0.000 0.979 86 E CA 0.738 57.145 56.400 0.012 0.000 0.807 86 E CB 0.413 30.110 29.700 -0.005 0.000 0.761 86 E HN 0.661 nan 8.360 nan 0.000 0.454 87 S N -0.924 114.787 115.700 0.018 0.000 2.537 87 S HA 0.723 5.198 4.470 0.009 0.000 0.271 87 S C -1.285 173.334 174.600 0.033 0.000 1.148 87 S CA -0.821 57.393 58.200 0.023 0.000 0.868 87 S CB 2.102 65.308 63.200 0.009 0.000 1.115 87 S HN 0.103 nan 8.310 nan 0.000 0.461 88 A N 1.130 123.992 122.820 0.070 0.000 2.442 88 A HA 0.867 5.192 4.320 0.009 0.000 0.284 88 A C -0.903 176.801 177.584 0.201 0.000 1.058 88 A CA -0.289 51.797 52.037 0.083 0.000 0.738 88 A CB 1.495 20.648 19.000 0.254 0.000 1.242 88 A HN 0.889 nan 8.150 nan 0.000 0.421 89 E N 1.052 121.203 120.200 -0.081 0.000 2.412 89 E HA 0.530 4.885 4.350 0.009 0.000 0.279 89 E C -1.404 174.928 176.600 -0.448 0.000 0.984 89 E CA -0.512 55.823 56.400 -0.110 0.000 0.788 89 E CB 2.075 31.769 29.700 -0.010 0.000 1.277 89 E HN 0.521 nan 8.360 nan 0.000 0.455 90 V N 2.800 122.412 119.914 -0.505 0.000 2.446 90 V HA 0.130 4.255 4.120 0.009 0.000 0.276 90 V C 1.176 177.067 176.094 -0.339 0.000 1.030 90 V CA 0.958 62.900 62.300 -0.597 0.000 1.033 90 V CB 0.794 32.236 31.823 -0.635 0.000 0.993 90 V HN 0.877 nan 8.190 nan 0.000 0.477 91 T N 3.245 117.610 114.554 -0.315 0.000 3.037 91 T HA 0.081 4.436 4.350 0.009 0.000 0.252 91 T C 0.515 175.119 174.700 -0.160 0.000 1.073 91 T CA 0.358 62.341 62.100 -0.196 0.000 1.091 91 T CB 0.084 68.851 68.868 -0.168 0.000 0.935 91 T HN 0.632 nan 8.240 nan 0.000 0.488 92 Q N 0.768 120.449 119.800 -0.199 0.000 2.285 92 Q HA 0.398 4.743 4.340 0.009 0.000 0.269 92 Q C 0.064 175.977 176.000 -0.144 0.000 1.030 92 Q CA -0.398 55.325 55.803 -0.133 0.000 0.788 92 Q CB 1.909 30.588 28.738 -0.098 0.000 1.266 92 Q HN 0.199 nan 8.270 nan 0.000 0.438 93 E N 2.572 122.737 120.200 -0.058 0.000 2.166 93 E HA -0.022 4.333 4.350 0.009 0.000 0.192 93 E C 0.355 177.016 176.600 0.103 0.000 0.967 93 E CA 0.513 56.926 56.400 0.022 0.000 0.840 93 E CB 0.423 30.145 29.700 0.036 0.000 0.795 93 E HN 0.700 nan 8.360 nan 0.000 0.470 94 N N 1.147 119.883 118.700 0.060 0.000 2.006 94 N HA -0.120 4.625 4.740 0.009 0.000 0.196 94 N C -0.935 174.634 175.510 0.098 0.000 1.057 94 N CA 1.521 54.612 53.050 0.068 0.000 0.853 94 N CB -1.641 36.869 38.487 0.038 0.000 1.051 94 N HN 0.218 nan 8.380 nan 0.000 0.423 95 P HA 0.033 nan 4.420 nan 0.000 0.226 95 P C -0.347 177.095 177.300 0.236 0.000 1.153 95 P CA 0.061 63.232 63.100 0.119 0.000 0.777 95 P CB 0.024 31.767 31.700 0.072 0.000 0.794 96 F N 0.964 120.926 119.950 0.020 0.000 2.205 96 F HA -0.187 4.345 4.527 0.008 0.000 0.442 96 F C -0.391 175.466 175.800 0.095 0.000 1.197 96 F CA 0.600 58.605 58.000 0.009 0.000 1.444 96 F CB -1.466 37.527 39.000 -0.013 0.000 2.233 96 F HN 0.036 nan 8.300 nan 0.000 0.749 97 T N 3.505 117.872 114.554 -0.312 0.000 2.893 97 T HA 0.740 5.096 4.350 0.009 0.000 0.293 97 T C -0.948 173.482 174.700 -0.450 0.000 1.027 97 T CA -0.341 61.641 62.100 -0.197 0.000 0.988 97 T CB 1.879 70.681 68.868 -0.110 0.000 1.043 97 T HN 1.120 nan 8.240 nan 0.000 0.461 98 V N 3.636 123.354 119.914 -0.328 0.000 2.459 98 V HA 0.787 4.912 4.120 0.009 0.000 0.295 98 V C -0.204 175.679 176.094 -0.353 0.000 1.029 98 V CA -0.310 61.669 62.300 -0.535 0.000 0.874 98 V CB 1.807 33.169 31.823 -0.770 0.000 0.985 98 V HN 1.294 nan 8.190 nan 0.000 0.438 99 T N 4.079 118.391 114.554 -0.403 0.000 2.770 99 T HA 0.638 4.993 4.350 0.009 0.000 0.283 99 T C -0.954 173.556 174.700 -0.317 0.000 0.988 99 T CA -0.369 61.577 62.100 -0.257 0.000 0.957 99 T CB 0.804 69.567 68.868 -0.175 0.000 0.930 99 T HN 0.501 nan 8.240 nan 0.000 0.443 100 Y N 1.404 121.608 120.300 -0.160 0.000 2.361 100 Y HA 0.510 5.065 4.550 0.009 0.000 0.332 100 Y C 0.818 176.619 175.900 -0.165 0.000 1.101 100 Y CA -0.995 57.019 58.100 -0.143 0.000 1.137 100 Y CB 1.680 39.965 38.460 -0.291 0.000 1.207 100 Y HN 0.494 nan 8.280 nan 0.000 0.463 101 K N 4.587 125.010 120.400 0.038 0.000 2.521 101 K HA 0.442 4.767 4.320 0.009 0.000 0.248 101 K C -1.206 175.389 176.600 -0.009 0.000 0.978 101 K CA -0.279 55.998 56.287 -0.016 0.000 0.947 101 K CB 1.022 33.507 32.500 -0.026 0.000 1.165 101 K HN 0.571 nan 8.250 nan 0.000 0.445 102 I N 2.847 123.389 120.570 -0.046 0.000 2.441 102 I HA 0.173 4.348 4.170 0.009 0.000 0.287 102 I C 0.687 176.746 176.117 -0.096 0.000 1.049 102 I CA -0.552 60.715 61.300 -0.056 0.000 1.381 102 I CB 0.550 38.504 38.000 -0.075 0.000 1.409 102 I HN 0.288 nan 8.210 nan 0.000 0.523 103 R N 6.482 126.909 120.500 -0.121 0.000 2.570 103 R HA 0.055 4.400 4.340 0.009 0.000 0.277 103 R C -1.527 174.627 176.300 -0.243 0.000 1.039 103 R CA -1.098 54.902 56.100 -0.166 0.000 1.065 103 R CB 0.132 30.323 30.300 -0.181 0.000 0.964 103 R HN 0.385 nan 8.270 nan 0.000 0.428 104 P HA -0.165 nan 4.420 nan 0.000 0.218 104 P C 0.150 177.285 177.300 -0.275 0.000 1.148 104 P CA 1.269 64.254 63.100 -0.193 0.000 0.822 104 P CB 0.305 31.927 31.700 -0.129 0.000 0.784 105 E N 0.050 120.041 120.200 -0.348 0.000 2.208 105 E HA 0.047 4.403 4.350 0.009 0.000 0.193 105 E C 1.047 177.091 176.600 -0.927 0.000 0.988 105 E CA 0.385 56.520 56.400 -0.442 0.000 0.828 105 E CB -0.887 28.637 29.700 -0.292 0.000 0.763 105 E HN 0.118 nan 8.360 nan 0.000 0.478 106 A N 1.558 123.609 122.820 -1.282 0.000 2.513 106 A HA 0.076 4.401 4.320 0.009 0.000 0.274 106 A C -0.048 176.878 177.584 -1.095 0.000 1.115 106 A CA 0.407 51.320 52.037 -1.874 0.000 0.792 106 A CB -0.230 18.132 19.000 -1.063 0.000 1.053 106 A HN 0.136 nan 8.150 nan 0.000 0.515 107 Q N 1.467 120.661 119.800 -1.010 0.000 2.421 107 Q HA 0.474 4.819 4.340 0.009 0.000 0.280 107 Q C -1.342 174.581 176.000 -0.129 0.000 1.085 107 Q CA -0.706 54.866 55.803 -0.385 0.000 0.807 107 Q CB 1.504 30.151 28.738 -0.152 0.000 1.405 107 Q HN 0.812 nan 8.270 nan 0.000 0.419 108 W N 0.737 122.112 121.300 0.124 0.000 2.161 108 W HA 0.112 4.777 4.660 0.008 0.000 0.344 108 W C 1.702 178.329 176.519 0.180 0.000 1.262 108 W CA 0.203 57.663 57.345 0.191 0.000 1.270 108 W CB 0.729 30.316 29.460 0.212 0.000 1.126 108 W HN 0.765 nan 8.180 nan 0.000 0.598 109 T N -2.584 112.244 114.554 0.458 0.000 2.929 109 T HA -0.257 4.098 4.350 0.009 0.000 0.271 109 T C 0.851 175.687 174.700 0.228 0.000 1.085 109 T CA 1.531 63.806 62.100 0.291 0.000 1.125 109 T CB -0.339 68.668 68.868 0.231 0.000 0.874 109 T HN 0.523 nan 8.240 nan 0.000 0.494 110 D N 0.872 121.427 120.400 0.257 0.000 2.336 110 D HA 0.057 4.702 4.640 0.009 0.000 0.228 110 D C 0.504 176.906 176.300 0.171 0.000 1.120 110 D CA -0.316 53.797 54.000 0.190 0.000 0.839 110 D CB -0.733 40.178 40.800 0.185 0.000 0.932 110 D HN 0.252 nan 8.370 nan 0.000 0.509 111 N N -0.877 117.934 118.700 0.186 0.000 2.900 111 N HA -0.173 4.572 4.740 0.009 0.000 0.240 111 N C 0.021 175.595 175.510 0.108 0.000 0.953 111 N CA 1.052 54.178 53.050 0.127 0.000 0.950 111 N CB -1.615 36.920 38.487 0.080 0.000 1.102 111 N HN 0.557 nan 8.380 nan 0.000 0.593 112 A N 1.081 124.000 122.820 0.164 0.000 2.401 112 A HA 0.506 4.831 4.320 0.009 0.000 0.259 112 A C -1.925 175.797 177.584 0.229 0.000 1.103 112 A CA -0.821 51.277 52.037 0.101 0.000 0.789 112 A CB 0.448 19.374 19.000 -0.123 0.000 1.035 112 A HN 0.024 nan 8.150 nan 0.000 0.491 113 P HA 0.205 nan 4.420 nan 0.000 0.275 113 P C -0.544 176.805 177.300 0.082 0.000 1.228 113 P CA -0.073 63.035 63.100 0.014 0.000 0.786 113 P CB 0.568 32.246 31.700 -0.037 0.000 0.927 114 I N 1.828 122.255 120.570 -0.238 0.000 2.453 114 I HA 0.151 4.326 4.170 0.009 0.000 0.300 114 I C 1.112 177.242 176.117 0.022 0.000 1.159 114 I CA 0.183 61.346 61.300 -0.228 0.000 1.379 114 I CB -0.451 37.185 38.000 -0.607 0.000 1.460 114 I HN 0.350 nan 8.210 nan 0.000 0.601 115 A N 4.751 127.690 122.820 0.198 0.000 2.284 115 A HA 0.806 5.132 4.320 0.009 0.000 0.317 115 A C 1.182 178.886 177.584 0.200 0.000 1.120 115 A CA -0.105 52.010 52.037 0.129 0.000 0.900 115 A CB 0.850 19.908 19.000 0.096 0.000 1.319 115 A HN 0.663 nan 8.150 nan 0.000 0.494 116 A N -0.812 122.058 122.820 0.083 0.000 2.172 116 A HA -0.021 4.304 4.320 0.009 0.000 0.216 116 A C 1.158 178.895 177.584 0.254 0.000 1.154 116 A CA 1.990 54.067 52.037 0.067 0.000 0.701 116 A CB -0.864 18.098 19.000 -0.064 0.000 0.789 116 A HN 0.815 nan 8.150 nan 0.000 0.465 117 D N 0.408 120.957 120.400 0.248 0.000 2.178 117 D HA -0.123 4.523 4.640 0.009 0.000 0.201 117 D C 1.139 177.723 176.300 0.473 0.000 0.980 117 D CA 1.328 55.517 54.000 0.314 0.000 0.842 117 D CB -0.056 40.862 40.800 0.197 0.000 0.948 117 D HN 0.422 nan 8.370 nan 0.000 0.472 118 D N -0.305 120.378 120.400 0.472 0.000 2.144 118 D HA -0.133 4.512 4.640 0.009 0.000 0.200 118 D C 1.669 178.268 176.300 0.497 0.000 0.978 118 D CA 0.812 55.114 54.000 0.504 0.000 0.833 118 D CB -0.236 40.918 40.800 0.591 0.000 0.961 118 D HN 0.332 nan 8.370 nan 0.000 0.470 119 Y N -0.447 120.024 120.300 0.285 0.000 2.242 119 Y HA -0.135 4.421 4.550 0.009 0.000 0.291 119 Y C 2.280 178.430 175.900 0.415 0.000 1.137 119 Y CA 0.536 58.744 58.100 0.181 0.000 1.181 119 Y CB -0.592 37.691 38.460 -0.295 0.000 0.989 119 Y HN 0.087 nan 8.280 nan 0.000 0.527 120 W N -0.720 120.829 121.300 0.415 0.000 2.381 120 W HA -0.285 4.380 4.660 0.009 0.000 0.301 120 W C 2.359 179.105 176.519 0.379 0.000 1.205 120 W CA 1.858 59.469 57.345 0.444 0.000 1.285 120 W CB -0.898 28.757 29.460 0.325 0.000 1.133 120 W HN 0.186 nan 8.180 nan 0.000 0.521 121 Y N 0.434 120.930 120.300 0.327 0.000 2.145 121 Y HA -0.249 4.306 4.550 0.008 0.000 0.286 121 Y C 2.294 178.083 175.900 -0.186 0.000 1.145 121 Y CA 2.293 60.401 58.100 0.012 0.000 1.148 121 Y CB -1.010 37.550 38.460 0.167 0.000 0.981 121 Y HN 0.009 nan 8.280 nan 0.000 0.507 122 L N -0.327 120.905 121.223 0.016 0.000 2.017 122 L HA -0.182 4.163 4.340 0.009 0.000 0.208 122 L C 2.243 178.883 176.870 -0.383 0.000 1.073 122 L CA 2.277 56.996 54.840 -0.201 0.000 0.745 122 L CB -1.233 40.863 42.059 0.061 0.000 0.894 122 L HN 0.580 nan 8.230 nan 0.000 0.432 123 W N 0.573 121.740 121.300 -0.222 0.000 2.333 123 W HA -0.226 4.439 4.660 0.009 0.000 0.316 123 W C 2.483 178.713 176.519 -0.483 0.000 1.215 123 W CA 1.611 58.816 57.345 -0.232 0.000 1.278 123 W CB -0.464 29.009 29.460 0.022 0.000 1.154 123 W HN -0.014 nan 8.180 nan 0.000 0.486 124 R N 0.220 120.044 120.500 -1.125 0.000 2.083 124 R HA -0.165 4.180 4.340 0.009 0.000 0.237 124 R C 2.077 177.752 176.300 -1.043 0.000 1.137 124 R CA 1.803 57.072 56.100 -1.385 0.000 0.951 124 R CB -1.311 28.116 30.300 -1.456 0.000 0.851 124 R HN 0.376 nan 8.270 nan 0.000 0.434 125 Q N -0.237 118.886 119.800 -1.129 0.000 2.079 125 Q HA 0.004 4.350 4.340 0.009 0.000 0.200 125 Q C 2.022 177.439 176.000 -0.972 0.000 0.974 125 Q CA 0.970 56.017 55.803 -1.260 0.000 0.840 125 Q CB -0.193 27.259 28.738 -2.144 0.000 0.898 125 Q HN 0.239 nan 8.270 nan 0.000 0.430 126 M N 0.261 119.337 119.600 -0.874 0.000 2.296 126 M HA -0.084 4.401 4.480 0.009 0.000 0.265 126 M C 2.124 178.173 176.300 -0.418 0.000 1.064 126 M CA 0.955 55.857 55.300 -0.662 0.000 1.109 126 M CB -0.810 31.150 32.600 -1.068 0.000 1.396 126 M HN 0.173 nan 8.290 nan 0.000 0.430 127 V N -3.001 116.648 119.914 -0.442 0.000 3.471 127 V HA 0.098 4.223 4.120 0.009 0.000 0.258 127 V C 1.886 177.799 176.094 -0.301 0.000 1.192 127 V CA 1.162 63.283 62.300 -0.297 0.000 1.116 127 V CB -0.518 31.147 31.823 -0.263 0.000 0.792 127 V HN 0.441 nan 8.190 nan 0.000 0.459 128 S N -1.600 113.867 115.700 -0.389 0.000 2.527 128 S HA 0.199 4.674 4.470 0.009 0.000 0.227 128 S C 1.070 175.525 174.600 -0.242 0.000 1.059 128 S CA -0.184 57.829 58.200 -0.311 0.000 0.919 128 S CB -0.287 62.693 63.200 -0.366 0.000 0.805 128 S HN 0.494 nan 8.310 nan 0.000 0.500 129 Q N 3.307 122.938 119.800 -0.281 0.000 2.304 129 Q HA 0.411 4.756 4.340 0.009 0.000 0.260 129 Q C -2.540 173.399 176.000 -0.102 0.000 0.965 129 Q CA -1.861 53.842 55.803 -0.166 0.000 0.898 129 Q CB 0.950 29.603 28.738 -0.142 0.000 1.196 129 Q HN 0.358 nan 8.270 nan 0.000 0.402 130 P HA 0.154 nan 4.420 nan 0.000 0.278 130 P C 0.214 177.483 177.300 -0.052 0.000 1.238 130 P CA 0.065 63.150 63.100 -0.024 0.000 0.794 130 P CB 0.808 32.529 31.700 0.034 0.000 0.955 131 G N 0.701 109.393 108.800 -0.180 0.000 2.137 131 G HA2 -0.145 3.820 3.960 0.009 0.000 0.237 131 G HA3 -0.145 3.820 3.960 0.009 0.000 0.237 131 G C -0.007 174.660 174.900 -0.389 0.000 1.002 131 G CA 0.080 44.830 45.100 -0.584 0.000 0.702 131 G HN 0.693 nan 8.290 nan 0.000 0.515 132 V N -2.128 117.668 119.914 -0.195 0.000 2.743 132 V HA 0.811 4.936 4.120 0.009 0.000 0.301 132 V C 1.150 177.194 176.094 -0.083 0.000 1.057 132 V CA -1.181 61.065 62.300 -0.090 0.000 1.006 132 V CB 1.897 33.699 31.823 -0.035 0.000 1.024 132 V HN 0.520 nan 8.190 nan 0.000 0.473 133 V N 3.349 123.254 119.914 -0.014 0.000 2.529 133 V HA 0.072 4.197 4.120 0.009 0.000 0.292 133 V C 0.448 176.572 176.094 0.051 0.000 1.028 133 V CA 0.157 62.467 62.300 0.017 0.000 1.074 133 V CB -0.169 31.689 31.823 0.059 0.000 0.958 133 V HN 1.108 nan 8.190 nan 0.000 0.481 134 D N 6.644 127.062 120.400 0.029 0.000 3.137 134 D HA -0.156 4.490 4.640 0.009 0.000 0.196 134 D C -1.638 174.718 176.300 0.093 0.000 1.270 134 D CA 0.364 54.391 54.000 0.046 0.000 0.716 134 D CB -0.199 40.636 40.800 0.058 0.000 0.891 134 D HN 0.552 nan 8.370 nan 0.000 0.396 135 P HA 0.123 nan 4.420 nan 0.000 0.257 135 P C 1.121 178.487 177.300 0.110 0.000 1.325 135 P CA 0.118 63.305 63.100 0.146 0.000 0.850 135 P CB 0.443 32.165 31.700 0.037 0.000 1.324 136 A N 0.908 123.753 122.820 0.042 0.000 1.940 136 A HA -0.093 4.232 4.320 0.009 0.000 0.219 136 A C 2.413 179.923 177.584 -0.123 0.000 1.176 136 A CA 2.106 54.133 52.037 -0.017 0.000 0.631 136 A CB -1.822 17.174 19.000 -0.008 0.000 0.814 136 A HN 0.305 nan 8.150 nan 0.000 0.446 137 G N -1.819 106.859 108.800 -0.203 0.000 2.402 137 G HA2 -0.183 3.782 3.960 0.009 0.000 0.216 137 G HA3 -0.183 3.782 3.960 0.009 0.000 0.216 137 G C 1.452 176.161 174.900 -0.320 0.000 1.162 137 G CA 1.064 45.795 45.100 -0.615 0.000 0.777 137 G HN 0.581 nan 8.290 nan 0.000 0.539 138 Y N 1.273 121.527 120.300 -0.077 0.000 2.274 138 Y HA -0.078 4.477 4.550 0.009 0.000 0.290 138 Y C 2.397 178.336 175.900 0.064 0.000 1.145 138 Y CA 1.189 59.290 58.100 0.002 0.000 1.203 138 Y CB 0.124 38.572 38.460 -0.019 0.000 0.984 138 Y HN 0.147 nan 8.280 nan 0.000 0.533 139 D N -0.162 120.324 120.400 0.142 0.000 2.378 139 D HA -0.076 4.569 4.640 0.009 0.000 0.222 139 D C 1.696 178.038 176.300 0.070 0.000 0.980 139 D CA 0.871 54.931 54.000 0.100 0.000 0.907 139 D CB -0.052 40.771 40.800 0.037 0.000 0.899 139 D HN 0.402 nan 8.370 nan 0.000 0.527 140 L N 0.134 121.374 121.223 0.029 0.000 2.446 140 L HA 0.156 4.501 4.340 0.009 0.000 0.219 140 L C 0.946 177.844 176.870 0.046 0.000 1.116 140 L CA -0.003 54.878 54.840 0.069 0.000 0.844 140 L CB 0.131 42.227 42.059 0.063 0.000 0.970 140 L HN -0.131 nan 8.230 nan 0.000 0.457 141 I N 0.233 120.706 120.570 -0.162 0.000 2.598 141 I HA -0.106 4.069 4.170 0.009 0.000 0.284 141 I C 1.436 177.318 176.117 -0.391 0.000 1.140 141 I CA 0.429 61.346 61.300 -0.637 0.000 1.420 141 I CB 1.088 38.487 38.000 -1.002 0.000 1.387 141 I HN -0.077 nan 8.210 nan 0.000 0.553 142 T N 4.032 118.347 114.554 -0.398 0.000 3.040 142 T HA 0.364 4.719 4.350 0.009 0.000 0.250 142 T C 0.246 174.809 174.700 -0.230 0.000 1.058 142 T CA 0.268 62.273 62.100 -0.159 0.000 0.988 142 T CB -0.034 68.803 68.868 -0.052 0.000 0.993 142 T HN 0.933 nan 8.240 nan 0.000 0.519 143 G N 0.431 108.856 108.800 -0.625 0.000 2.386 143 G HA2 0.412 4.377 3.960 0.009 0.000 0.302 143 G HA3 0.412 4.377 3.960 0.009 0.000 0.302 143 G C -1.460 173.142 174.900 -0.498 0.000 1.629 143 G CA -0.176 44.596 45.100 -0.545 0.000 0.917 143 G HN 0.700 nan 8.290 nan 0.000 0.676 144 V N -0.712 119.054 119.914 -0.246 0.000 2.864 144 V HA 0.997 5.122 4.120 0.009 0.000 0.314 144 V C -0.461 175.713 176.094 0.134 0.000 1.073 144 V CA -0.657 61.630 62.300 -0.021 0.000 0.956 144 V CB 1.615 33.482 31.823 0.072 0.000 1.023 144 V HN 1.318 nan 8.190 nan 0.000 0.435 145 Q N 2.394 122.218 119.800 0.040 0.000 2.379 145 Q HA 0.700 5.045 4.340 0.009 0.000 0.278 145 Q C -1.039 174.947 176.000 -0.024 0.000 1.068 145 Q CA -0.643 55.167 55.803 0.012 0.000 0.816 145 Q CB 2.091 30.822 28.738 -0.011 0.000 1.387 145 Q HN 1.036 nan 8.270 nan 0.000 0.413 146 S N 0.761 116.439 115.700 -0.037 0.000 2.457 146 S HA 0.733 5.208 4.470 0.009 0.000 0.289 146 S C -0.085 174.482 174.600 -0.055 0.000 1.163 146 S CA -0.462 57.708 58.200 -0.051 0.000 1.078 146 S CB 1.155 64.329 63.200 -0.044 0.000 0.987 146 S HN 0.481 nan 8.310 nan 0.000 0.482 147 V N 1.493 121.370 119.914 -0.061 0.000 3.126 147 V HA 0.654 4.779 4.120 0.009 0.000 0.314 147 V C 0.320 176.379 176.094 -0.058 0.000 1.138 147 V CA -1.028 61.239 62.300 -0.056 0.000 1.034 147 V CB 1.204 32.993 31.823 -0.056 0.000 1.075 147 V HN 1.033 nan 8.190 nan 0.000 0.442 148 E N 1.440 121.609 120.200 -0.052 0.000 2.389 148 E HA -0.173 4.182 4.350 0.009 0.000 0.243 148 E C 0.796 177.365 176.600 -0.052 0.000 1.154 148 E CA 1.483 57.852 56.400 -0.051 0.000 0.723 148 E CB -1.432 28.236 29.700 -0.054 0.000 1.261 148 E HN 2.013 nan 8.360 nan 0.000 0.390 149 G N -1.565 107.206 108.800 -0.049 0.000 2.160 149 G HA2 -0.012 3.953 3.960 0.009 0.000 0.251 149 G HA3 -0.012 3.953 3.960 0.009 0.000 0.251 149 G C 1.318 176.189 174.900 -0.048 0.000 1.008 149 G CA 0.893 45.965 45.100 -0.047 0.000 0.724 149 G HN 1.769 nan 8.290 nan 0.000 0.514 150 G N -1.164 107.607 108.800 -0.050 0.000 2.176 150 G HA2 -0.261 3.704 3.960 0.009 0.000 0.253 150 G HA3 -0.261 3.704 3.960 0.009 0.000 0.253 150 G C 0.881 175.747 174.900 -0.056 0.000 0.979 150 G CA 1.101 46.175 45.100 -0.044 0.000 0.641 150 G HN 0.872 nan 8.290 nan 0.000 0.530 151 K N 0.268 120.626 120.400 -0.070 0.000 2.469 151 K HA 0.214 4.539 4.320 0.009 0.000 0.201 151 K C 0.695 177.236 176.600 -0.099 0.000 1.028 151 K CA 0.290 56.526 56.287 -0.086 0.000 1.170 151 K CB 0.568 33.017 32.500 -0.085 0.000 0.874 151 K HN 0.686 nan 8.250 nan 0.000 0.507 152 Q N 0.195 119.931 119.800 -0.108 0.000 2.275 152 Q HA 0.442 4.787 4.340 0.009 0.000 0.258 152 Q C -1.840 174.074 176.000 -0.142 0.000 0.960 152 Q CA -0.354 55.380 55.803 -0.115 0.000 0.801 152 Q CB 1.910 30.598 28.738 -0.083 0.000 1.302 152 Q HN 0.113 nan 8.270 nan 0.000 0.433 153 A N 3.474 126.170 122.820 -0.206 0.000 2.260 153 A HA 0.612 4.937 4.320 0.009 0.000 0.314 153 A C -0.723 176.807 177.584 -0.089 0.000 1.257 153 A CA -0.469 51.432 52.037 -0.226 0.000 0.871 153 A CB 1.063 19.701 19.000 -0.603 0.000 1.166 153 A HN 0.480 nan 8.150 nan 0.000 0.522 154 V N 4.302 124.171 119.914 -0.075 0.000 2.294 154 V HA 0.251 4.376 4.120 0.009 0.000 0.272 154 V C -0.162 175.893 176.094 -0.066 0.000 1.027 154 V CA -0.434 61.827 62.300 -0.064 0.000 0.823 154 V CB 0.933 32.714 31.823 -0.070 0.000 1.030 154 V HN 0.582 nan 8.190 nan 0.000 0.457 155 V N 4.487 124.379 119.914 -0.036 0.000 2.364 155 V HA 0.378 4.503 4.120 0.009 0.000 0.272 155 V C 0.518 176.513 176.094 -0.165 0.000 1.036 155 V CA -0.170 62.069 62.300 -0.102 0.000 0.880 155 V CB 1.455 33.331 31.823 0.089 0.000 0.991 155 V HN 0.885 nan 8.190 nan 0.000 0.460 156 T N 5.763 120.140 114.554 -0.296 0.000 2.829 156 T HA 0.709 5.064 4.350 0.009 0.000 0.282 156 T C -0.563 173.937 174.700 -0.332 0.000 0.990 156 T CA -0.087 61.908 62.100 -0.174 0.000 1.028 156 T CB 0.954 69.754 68.868 -0.114 0.000 0.951 156 T HN 0.288 nan 8.240 nan 0.000 0.460 157 F N 0.473 120.456 119.950 0.055 0.000 2.594 157 F HA 0.417 4.949 4.527 0.008 0.000 0.335 157 F C 1.679 177.519 175.800 0.067 0.000 1.058 157 F CA -0.991 57.065 58.000 0.093 0.000 0.981 157 F CB 1.674 40.844 39.000 0.283 0.000 1.289 157 F HN 0.608 nan 8.300 nan 0.000 0.490 158 S N -0.919 114.925 115.700 0.241 0.000 2.478 158 S HA 0.142 4.617 4.470 0.009 0.000 0.222 158 S C -0.031 174.631 174.600 0.103 0.000 1.008 158 S CA 0.116 58.394 58.200 0.129 0.000 0.928 158 S CB -0.318 62.930 63.200 0.079 0.000 0.781 158 S HN 0.709 nan 8.310 nan 0.000 0.518 159 Q N -0.654 119.202 119.800 0.093 0.000 2.685 159 Q HA 0.594 4.939 4.340 0.009 0.000 0.301 159 Q C -3.520 172.286 176.000 -0.323 0.000 0.924 159 Q CA -2.466 53.309 55.803 -0.047 0.000 0.755 159 Q CB 0.377 29.081 28.738 -0.057 0.000 1.470 159 Q HN -0.076 nan 8.270 nan 0.000 0.434 160 P HA 0.031 nan 4.420 nan 0.000 0.268 160 P C -1.637 175.154 177.300 -0.849 0.000 1.205 160 P CA 0.299 62.779 63.100 -1.033 0.000 0.771 160 P CB 0.060 31.492 31.700 -0.447 0.000 0.858 161 Y N 5.096 124.557 120.300 -1.399 0.000 2.441 161 Y HA 0.276 4.831 4.550 0.008 0.000 0.345 161 Y C -2.163 173.645 175.900 -0.154 0.000 1.129 161 Y CA -2.558 55.183 58.100 -0.599 0.000 1.333 161 Y CB 1.131 39.263 38.460 -0.546 0.000 1.104 161 Y HN 0.297 nan 8.280 nan 0.000 0.551 162 P HA 0.024 nan 4.420 nan 0.000 0.239 162 P C 0.612 177.657 177.300 -0.425 0.000 1.184 162 P CA 1.058 64.076 63.100 -0.137 0.000 0.760 162 P CB 0.225 31.854 31.700 -0.119 0.000 0.884 163 A N -0.092 122.198 122.820 -0.884 0.000 2.462 163 A HA 0.107 4.432 4.320 0.009 0.000 0.261 163 A C 1.624 178.672 177.584 -0.893 0.000 1.323 163 A CA -0.752 50.725 52.037 -0.933 0.000 0.913 163 A CB -1.389 17.097 19.000 -0.857 0.000 1.028 163 A HN 0.332 nan 8.150 nan 0.000 0.511 164 W N 0.045 120.963 121.300 -0.638 0.000 2.465 164 W HA -0.116 4.549 4.660 0.009 0.000 0.268 164 W C 1.063 177.472 176.519 -0.183 0.000 1.242 164 W CA 0.581 57.804 57.345 -0.203 0.000 1.248 164 W CB -0.598 28.858 29.460 -0.006 0.000 1.118 164 W HN 0.350 nan 8.180 nan 0.000 0.587 165 R N 1.133 120.952 120.500 -1.135 0.000 2.193 165 R HA -0.107 4.238 4.340 0.009 0.000 0.229 165 R C 1.958 177.775 176.300 -0.804 0.000 1.110 165 R CA 1.701 56.976 56.100 -1.374 0.000 0.988 165 R CB -0.281 28.856 30.300 -1.938 0.000 0.871 165 R HN 0.334 nan 8.270 nan 0.000 0.458 166 E N 0.374 120.076 120.200 -0.830 0.000 2.427 166 E HA -0.022 4.333 4.350 0.009 0.000 0.196 166 E C 0.083 176.470 176.600 -0.354 0.000 1.028 166 E CA 0.192 56.068 56.400 -0.874 0.000 0.864 166 E CB 0.132 29.348 29.700 -0.807 0.000 0.813 166 E HN 0.266 nan 8.360 nan 0.000 0.514 167 L N 0.368 121.491 121.223 -0.166 0.000 2.418 167 L HA 0.158 4.503 4.340 0.009 0.000 0.265 167 L C 0.039 176.980 176.870 0.119 0.000 1.143 167 L CA -0.311 54.403 54.840 -0.210 0.000 0.809 167 L CB 0.072 41.936 42.059 -0.324 0.000 1.124 167 L HN 0.139 nan 8.230 nan 0.000 0.456 168 F N 0.317 120.407 119.950 0.235 0.000 3.039 168 F HA -0.267 4.265 4.527 0.008 0.000 0.287 168 F C 0.188 176.061 175.800 0.121 0.000 0.956 168 F CA 0.045 58.087 58.000 0.070 0.000 0.971 168 F CB -1.732 37.122 39.000 -0.243 0.000 0.943 168 F HN 0.565 nan 8.300 nan 0.000 0.766 169 N N 0.981 119.883 118.700 0.336 0.000 2.319 169 N HA 0.303 5.048 4.740 0.009 0.000 0.305 169 N C -0.112 175.623 175.510 0.375 0.000 1.103 169 N CA -0.536 52.718 53.050 0.340 0.000 0.815 169 N CB 1.231 39.913 38.487 0.326 0.000 1.288 169 N HN 0.118 nan 8.380 nan 0.000 0.493 170 D N 0.571 121.159 120.400 0.313 0.000 2.705 170 D HA -0.167 4.478 4.640 0.009 0.000 0.240 170 D C -0.075 176.493 176.300 0.446 0.000 1.137 170 D CA 0.663 54.842 54.000 0.299 0.000 0.677 170 D CB -1.208 39.667 40.800 0.125 0.000 1.049 170 D HN 0.478 nan 8.370 nan 0.000 0.427 171 I N 0.061 120.864 120.570 0.388 0.000 2.754 171 I HA 0.046 4.221 4.170 0.009 0.000 0.285 171 I C 1.272 177.714 176.117 0.542 0.000 1.166 171 I CA -0.008 61.536 61.300 0.407 0.000 1.417 171 I CB 0.456 38.633 38.000 0.294 0.000 1.382 171 I HN -0.032 nan 8.210 nan 0.000 0.588 172 L N 6.726 128.216 121.223 0.446 0.000 2.334 172 L HA 0.474 4.820 4.340 0.009 0.000 0.272 172 L C -2.276 174.528 176.870 -0.109 0.000 1.020 172 L CA -2.018 52.959 54.840 0.228 0.000 0.812 172 L CB 1.366 43.565 42.059 0.234 0.000 1.264 172 L HN 0.353 nan 8.230 nan 0.000 0.439 173 P HA 0.042 nan 4.420 nan 0.000 0.268 173 P C 0.301 177.170 177.300 -0.719 0.000 1.282 173 P CA -0.053 62.277 63.100 -1.283 0.000 0.880 173 P CB 1.142 31.803 31.700 -1.732 0.000 0.971 174 A N 4.924 127.519 122.820 -0.375 0.000 1.927 174 A HA -0.246 4.079 4.320 0.009 0.000 0.220 174 A C 1.989 179.268 177.584 -0.509 0.000 1.185 174 A CA 1.822 53.530 52.037 -0.549 0.000 0.639 174 A CB -1.620 17.339 19.000 -0.068 0.000 0.820 174 A HN 0.707 nan 8.150 nan 0.000 0.451 175 H N -1.420 117.460 119.070 -0.317 0.000 2.495 175 H HA 0.031 4.592 4.556 0.009 0.000 0.287 175 H C 1.729 176.925 175.328 -0.220 0.000 1.033 175 H CA 1.239 57.157 56.048 -0.216 0.000 1.307 175 H CB -0.466 29.213 29.762 -0.138 0.000 1.401 175 H HN 0.417 nan 8.280 nan 0.000 0.555 176 I N 1.240 121.355 120.570 -0.757 0.000 2.385 176 I HA -0.124 4.051 4.170 0.009 0.000 0.244 176 I C 2.684 178.615 176.117 -0.309 0.000 1.089 176 I CA 0.473 61.470 61.300 -0.504 0.000 1.410 176 I CB -0.766 36.880 38.000 -0.591 0.000 1.117 176 I HN 0.089 nan 8.210 nan 0.000 0.429 177 V N 1.194 120.904 119.914 -0.341 0.000 2.594 177 V HA -0.226 3.899 4.120 0.009 0.000 0.253 177 V C 2.431 178.488 176.094 -0.062 0.000 1.069 177 V CA 1.405 63.615 62.300 -0.150 0.000 1.082 177 V CB -0.951 30.859 31.823 -0.022 0.000 0.680 177 V HN 0.375 nan 8.190 nan 0.000 0.469 178 K N 0.025 120.323 120.400 -0.169 0.000 2.103 178 K HA -0.195 4.130 4.320 0.009 0.000 0.207 178 K C 1.688 178.290 176.600 0.003 0.000 1.048 178 K CA 1.818 58.089 56.287 -0.026 0.000 0.930 178 K CB -0.151 32.316 32.500 -0.054 0.000 0.716 178 K HN 0.469 nan 8.250 nan 0.000 0.444 179 D N 0.009 120.388 120.400 -0.036 0.000 2.355 179 D HA 0.055 4.700 4.640 0.009 0.000 0.206 179 D C 0.613 176.904 176.300 -0.015 0.000 1.010 179 D CA -0.022 53.967 54.000 -0.018 0.000 0.875 179 D CB 0.174 40.960 40.800 -0.024 0.000 0.966 179 D HN 0.099 nan 8.370 nan 0.000 0.512 180 I N 2.432 122.984 120.570 -0.029 0.000 2.845 180 I HA -0.030 4.145 4.170 0.009 0.000 0.296 180 I C -2.081 174.036 176.117 0.001 0.000 1.216 180 I CA -1.336 59.951 61.300 -0.022 0.000 1.438 180 I CB 0.716 38.694 38.000 -0.036 0.000 1.342 180 I HN -0.232 nan 8.210 nan 0.000 0.577 181 P HA 0.109 nan 4.420 nan 0.000 0.260 181 P C 0.394 177.703 177.300 0.014 0.000 1.207 181 P CA 0.735 63.840 63.100 0.009 0.000 0.780 181 P CB 0.421 32.125 31.700 0.005 0.000 0.789 182 G N 2.499 111.313 108.800 0.023 0.000 2.307 182 G HA2 0.019 3.984 3.960 0.009 0.000 0.210 182 G HA3 0.019 3.984 3.960 0.009 0.000 0.210 182 G C 0.646 175.575 174.900 0.047 0.000 1.005 182 G CA 0.138 45.255 45.100 0.029 0.000 0.634 182 G HN 0.920 nan 8.290 nan 0.000 0.496 183 G N -0.358 108.477 108.800 0.058 0.000 2.564 183 G HA2 -0.082 3.883 3.960 0.009 0.000 0.273 183 G HA3 -0.082 3.883 3.960 0.009 0.000 0.273 183 G C 0.738 175.728 174.900 0.150 0.000 1.242 183 G CA 0.763 45.929 45.100 0.111 0.000 0.951 183 G HN 1.426 nan 8.290 nan 0.000 0.564 184 F N 2.347 122.330 119.950 0.056 0.000 2.234 184 F HA 0.196 4.729 4.527 0.010 0.000 0.299 184 F C 2.581 178.388 175.800 0.013 0.000 1.087 184 F CA 2.666 60.694 58.000 0.046 0.000 1.340 184 F CB -0.381 38.612 39.000 -0.011 0.000 1.031 184 F HN 0.579 nan 8.300 nan 0.000 0.500 185 G N -1.134 107.740 108.800 0.123 0.000 2.453 185 G HA2 0.123 4.088 3.960 0.009 0.000 0.215 185 G HA3 0.123 4.088 3.960 0.009 0.000 0.215 185 G C 1.251 176.144 174.900 -0.012 0.000 1.147 185 G CA 0.603 45.731 45.100 0.046 0.000 0.802 185 G HN 0.511 nan 8.290 nan 0.000 0.535 186 A N -0.826 121.994 122.820 0.000 0.000 2.701 186 A HA 0.518 4.844 4.320 0.009 0.000 0.241 186 A C 2.073 179.659 177.584 0.003 0.000 1.231 186 A CA 1.106 53.142 52.037 -0.000 0.000 1.003 186 A CB -0.117 18.892 19.000 0.016 0.000 1.281 186 A HN 0.355 nan 8.150 nan 0.000 0.600 187 G N 0.256 109.057 108.800 0.002 0.000 2.443 187 G HA2 0.031 3.996 3.960 0.009 0.000 0.219 187 G HA3 0.031 3.996 3.960 0.009 0.000 0.219 187 G C 1.030 175.933 174.900 0.004 0.000 1.131 187 G CA 0.959 46.062 45.100 0.005 0.000 0.775 187 G HN 0.405 nan 8.290 nan 0.000 0.547 188 L N 0.851 122.072 121.223 -0.004 0.000 2.791 188 L HA 0.360 4.705 4.340 0.009 0.000 0.239 188 L C 2.487 179.437 176.870 0.132 0.000 1.203 188 L CA -0.045 54.821 54.840 0.043 0.000 1.002 188 L CB 0.413 42.478 42.059 0.009 0.000 1.295 188 L HN 0.220 nan 8.230 nan 0.000 0.504 189 A N 0.417 123.289 122.820 0.087 0.000 1.897 189 A HA -0.007 4.319 4.320 0.009 0.000 0.215 189 A C 1.975 179.698 177.584 0.231 0.000 1.181 189 A CA 1.110 53.200 52.037 0.089 0.000 0.620 189 A CB 0.061 19.080 19.000 0.033 0.000 0.821 189 A HN 0.330 nan 8.150 nan 0.000 0.443 190 R N -1.672 118.942 120.500 0.190 0.000 2.592 190 R HA 0.522 4.867 4.340 0.009 0.000 0.439 190 R C -0.706 175.621 176.300 0.044 0.000 0.995 190 R CA 0.734 56.936 56.100 0.170 0.000 1.141 190 R CB 0.298 30.656 30.300 0.097 0.000 1.495 190 R HN 0.430 nan 8.270 nan 0.000 0.579 191 A N 0.646 123.477 122.820 0.019 0.000 2.574 191 A HA 0.774 5.099 4.320 0.009 0.000 0.297 191 A C -1.196 176.333 177.584 -0.091 0.000 1.062 191 A CA -0.517 51.484 52.037 -0.059 0.000 0.686 191 A CB 1.783 20.766 19.000 -0.028 0.000 1.285 191 A HN 0.147 nan 8.150 nan 0.000 0.403 192 M N 3.093 122.617 119.600 -0.126 0.000 2.769 192 M HA 0.372 4.857 4.480 0.009 0.000 0.309 192 M C -2.425 173.832 176.300 -0.072 0.000 1.427 192 M CA -1.035 54.202 55.300 -0.104 0.000 0.657 192 M CB 1.340 33.847 32.600 -0.156 0.000 1.947 192 M HN 0.390 nan 8.290 nan 0.000 0.396 193 P HA 0.072 nan 4.420 nan 0.000 0.222 193 P C -0.462 176.827 177.300 -0.017 0.000 1.153 193 P CA 0.658 63.733 63.100 -0.041 0.000 0.798 193 P CB 0.333 32.002 31.700 -0.051 0.000 0.796 194 V N -0.377 119.516 119.914 -0.035 0.000 2.577 194 V HA 0.431 4.556 4.120 0.009 0.000 0.303 194 V C 0.103 176.256 176.094 0.098 0.000 1.042 194 V CA -0.355 61.955 62.300 0.017 0.000 0.872 194 V CB 1.951 33.723 31.823 -0.085 0.000 0.998 194 V HN 0.123 nan 8.190 nan 0.000 0.423 195 T N 0.524 115.250 114.554 0.288 0.000 2.693 195 T HA 0.846 5.201 4.350 0.009 0.000 0.278 195 T C 0.048 175.126 174.700 0.630 0.000 0.994 195 T CA -0.351 62.012 62.100 0.438 0.000 1.033 195 T CB 2.262 71.273 68.868 0.240 0.000 1.342 195 T HN 1.091 nan 8.240 nan 0.000 0.538 196 G N -0.702 108.373 108.800 0.459 0.000 4.379 196 G HA2 0.595 4.560 3.960 0.009 0.000 0.243 196 G HA3 0.595 4.560 3.960 0.009 0.000 0.243 196 G C -0.194 174.864 174.900 0.263 0.000 1.009 196 G CA 0.014 45.311 45.100 0.328 0.000 0.646 196 G HN 1.096 nan 8.290 nan 0.000 0.475 197 G N -0.826 108.032 108.800 0.097 0.000 2.827 197 G HA2 0.437 4.402 3.960 0.009 0.000 0.296 197 G HA3 0.437 4.402 3.960 0.009 0.000 0.296 197 G C 0.467 174.907 174.900 -0.766 0.000 1.362 197 G CA -0.329 44.656 45.100 -0.192 0.000 0.809 197 G HN 0.145 nan 8.290 nan 0.000 0.522 198 Q N -1.262 117.790 119.800 -1.248 0.000 2.077 198 Q HA -0.072 4.273 4.340 0.009 0.000 0.206 198 Q C 0.007 175.397 176.000 -1.017 0.000 0.989 198 Q CA 1.512 56.352 55.803 -1.605 0.000 0.853 198 Q CB -0.089 27.943 28.738 -1.176 0.000 0.907 198 Q HN 0.419 nan 8.270 nan 0.000 0.418 199 F N -0.509 119.212 119.950 -0.381 0.000 2.497 199 F HA 0.395 4.929 4.527 0.010 0.000 0.331 199 F C 0.240 175.971 175.800 -0.115 0.000 1.060 199 F CA -1.069 56.812 58.000 -0.198 0.000 0.989 199 F CB 1.224 40.139 39.000 -0.142 0.000 1.245 199 F HN -0.097 nan 8.300 nan 0.000 0.486 200 R N -0.534 120.057 120.500 0.151 0.000 2.837 200 R HA 0.808 5.153 4.340 0.009 0.000 0.271 200 R C -2.150 174.193 176.300 0.071 0.000 0.993 200 R CA -1.057 55.103 56.100 0.099 0.000 0.931 200 R CB 1.320 31.673 30.300 0.089 0.000 1.206 200 R HN 0.350 nan 8.270 nan 0.000 0.474 201 V N 2.328 122.257 119.914 0.024 0.000 2.389 201 V HA 0.046 4.171 4.120 0.009 0.000 0.264 201 V C 0.938 177.023 176.094 -0.015 0.000 1.049 201 V CA 0.004 62.285 62.300 -0.031 0.000 0.932 201 V CB 0.745 32.502 31.823 -0.110 0.000 1.011 201 V HN 0.965 nan 8.190 nan 0.000 0.475 202 E N 3.810 124.008 120.200 -0.005 0.000 2.060 202 E HA 0.000 4.355 4.350 0.009 0.000 0.189 202 E C 0.636 177.225 176.600 -0.018 0.000 0.974 202 E CA 1.101 57.503 56.400 0.003 0.000 0.808 202 E CB 0.364 30.077 29.700 0.021 0.000 0.768 202 E HN 0.842 nan 8.360 nan 0.000 0.453 203 T N -1.177 113.356 114.554 -0.034 0.000 3.041 203 T HA 0.572 4.927 4.350 0.009 0.000 0.321 203 T C -0.407 174.244 174.700 -0.081 0.000 1.184 203 T CA -0.656 61.418 62.100 -0.044 0.000 1.050 203 T CB 1.199 70.058 68.868 -0.015 0.000 1.159 203 T HN 0.055 nan 8.240 nan 0.000 0.469 204 I N 2.280 122.790 120.570 -0.100 0.000 2.382 204 I HA 0.366 4.541 4.170 0.009 0.000 0.285 204 I C -0.797 175.302 176.117 -0.030 0.000 1.007 204 I CA -0.548 60.683 61.300 -0.114 0.000 1.142 204 I CB 1.459 39.314 38.000 -0.242 0.000 1.289 204 I HN 0.639 nan 8.210 nan 0.000 0.453 205 D N 9.077 129.480 120.400 0.005 0.000 2.460 205 D HA 0.306 4.951 4.640 0.009 0.000 0.232 205 D C -1.939 174.387 176.300 0.043 0.000 1.079 205 D CA -2.068 51.945 54.000 0.022 0.000 0.864 205 D CB 2.224 43.037 40.800 0.022 0.000 1.048 205 D HN 0.152 nan 8.370 nan 0.000 0.523 206 P HA -0.069 nan 4.420 nan 0.000 0.219 206 P C 1.093 178.417 177.300 0.039 0.000 1.150 206 P CA 0.858 63.989 63.100 0.052 0.000 0.814 206 P CB 0.720 32.448 31.700 0.047 0.000 0.787 207 Q N -0.579 119.239 119.800 0.031 0.000 2.096 207 Q HA 0.023 4.368 4.340 0.009 0.000 0.197 207 Q C 2.181 178.197 176.000 0.027 0.000 0.964 207 Q CA 1.408 57.227 55.803 0.025 0.000 0.838 207 Q CB -0.464 28.285 28.738 0.020 0.000 0.906 207 Q HN 0.174 nan 8.270 nan 0.000 0.444 208 R N 0.260 120.777 120.500 0.029 0.000 2.276 208 R HA 0.011 4.356 4.340 0.009 0.000 0.196 208 R C -0.362 175.961 176.300 0.039 0.000 0.961 208 R CA 0.337 56.455 56.100 0.030 0.000 1.024 208 R CB 0.304 30.620 30.300 0.027 0.000 0.940 208 R HN 0.165 nan 8.270 nan 0.000 0.480 209 D N 1.851 122.279 120.400 0.047 0.000 2.746 209 D HA -0.145 4.500 4.640 0.009 0.000 0.241 209 D C -0.970 175.375 176.300 0.075 0.000 1.140 209 D CA 1.261 55.298 54.000 0.062 0.000 0.707 209 D CB -0.743 40.090 40.800 0.056 0.000 1.034 209 D HN 0.418 nan 8.370 nan 0.000 0.423 210 E N -0.103 120.140 120.200 0.072 0.000 2.272 210 E HA 0.621 4.976 4.350 0.009 0.000 0.269 210 E C -0.046 176.596 176.600 0.070 0.000 0.877 210 E CA -0.735 55.713 56.400 0.080 0.000 0.755 210 E CB 1.965 31.699 29.700 0.056 0.000 1.192 210 E HN 0.106 nan 8.360 nan 0.000 0.422 211 I N 3.012 123.644 120.570 0.104 0.000 2.418 211 I HA 0.277 4.452 4.170 0.009 0.000 0.287 211 I C -1.126 175.065 176.117 0.123 0.000 1.008 211 I CA -0.877 60.450 61.300 0.046 0.000 1.104 211 I CB 1.361 39.336 38.000 -0.043 0.000 1.264 211 I HN 0.241 nan 8.210 nan 0.000 0.438 212 L N 7.971 129.225 121.223 0.053 0.000 2.280 212 L HA 0.573 4.918 4.340 0.009 0.000 0.287 212 L C -1.046 175.855 176.870 0.052 0.000 1.023 212 L CA -0.118 54.762 54.840 0.067 0.000 0.819 212 L CB 0.911 42.993 42.059 0.038 0.000 1.212 212 L HN 0.451 nan 8.230 nan 0.000 0.420 213 L N 5.234 126.506 121.223 0.081 0.000 2.309 213 L HA 0.840 5.185 4.340 0.009 0.000 0.282 213 L C 0.065 177.012 176.870 0.129 0.000 1.036 213 L CA -0.637 54.248 54.840 0.074 0.000 0.806 213 L CB 1.567 43.624 42.059 -0.003 0.000 1.220 213 L HN 0.775 nan 8.230 nan 0.000 0.429 214 A N 3.190 126.110 122.820 0.167 0.000 2.356 214 A HA 0.589 4.914 4.320 0.009 0.000 0.323 214 A C -0.391 177.315 177.584 0.204 0.000 1.119 214 A CA -0.757 51.381 52.037 0.169 0.000 0.790 214 A CB 1.289 20.343 19.000 0.091 0.000 1.273 214 A HN 0.816 nan 8.150 nan 0.000 0.452 215 R N 1.264 121.828 120.500 0.107 0.000 2.522 215 R HA -0.014 4.331 4.340 0.009 0.000 0.284 215 R C -0.421 175.833 176.300 -0.077 0.000 1.032 215 R CA -0.072 55.958 56.100 -0.117 0.000 1.049 215 R CB 0.189 30.400 30.300 -0.147 0.000 0.956 215 R HN 0.709 nan 8.270 nan 0.000 0.422 216 N N 3.238 121.850 118.700 -0.147 0.000 2.399 216 N HA -0.033 4.712 4.740 0.009 0.000 0.259 216 N C -0.368 175.161 175.510 0.032 0.000 1.160 216 N CA 0.019 53.051 53.050 -0.029 0.000 0.946 216 N CB 0.963 39.430 38.487 -0.034 0.000 1.156 216 N HN 0.530 nan 8.380 nan 0.000 0.489 217 D N 2.607 123.040 120.400 0.055 0.000 2.219 217 D HA -0.041 4.604 4.640 0.009 0.000 0.205 217 D C 0.821 177.184 176.300 0.105 0.000 0.970 217 D CA 1.002 55.041 54.000 0.066 0.000 0.851 217 D CB 0.210 41.041 40.800 0.053 0.000 0.943 217 D HN 0.553 nan 8.370 nan 0.000 0.488 218 R N -0.440 120.146 120.500 0.143 0.000 2.356 218 R HA 0.111 4.456 4.340 0.009 0.000 0.234 218 R C 0.138 176.615 176.300 0.295 0.000 0.929 218 R CA -0.448 55.764 56.100 0.187 0.000 1.084 218 R CB -0.042 30.368 30.300 0.184 0.000 1.105 218 R HN 0.029 nan 8.270 nan 0.000 0.515 219 F N 0.710 120.686 119.950 0.043 0.000 2.429 219 F HA 0.032 4.565 4.527 0.010 0.000 0.348 219 F C 0.774 176.563 175.800 -0.019 0.000 1.109 219 F CA -1.485 56.458 58.000 -0.095 0.000 1.232 219 F CB 0.507 39.320 39.000 -0.312 0.000 1.157 219 F HN 0.089 nan 8.300 nan 0.000 0.564 220 W N 2.719 123.557 121.300 -0.771 0.000 3.177 220 W HA 0.445 5.110 4.660 0.008 0.000 0.309 220 W C 0.425 176.563 176.519 -0.635 0.000 1.224 220 W CA 0.279 57.298 57.345 -0.543 0.000 1.718 220 W CB -0.635 28.604 29.460 -0.369 0.000 1.078 220 W HN 0.434 nan 8.180 nan 0.000 0.618 221 S N 0.078 114.873 115.700 -1.509 0.000 2.788 221 S HA 0.510 4.985 4.470 0.009 0.000 0.291 221 S C -0.119 174.272 174.600 -0.348 0.000 1.061 221 S CA -0.562 57.152 58.200 -0.810 0.000 0.923 221 S CB 0.245 62.967 63.200 -0.798 0.000 1.339 221 S HN -0.150 nan 8.310 nan 0.000 0.591 222 V N 3.873 123.736 119.914 -0.084 0.000 2.475 222 V HA 0.186 4.311 4.120 0.009 0.000 0.292 222 V C -2.178 173.987 176.094 0.118 0.000 1.003 222 V CA -0.733 61.581 62.300 0.023 0.000 1.120 222 V CB -0.310 31.520 31.823 0.011 0.000 0.937 222 V HN 0.601 nan 8.190 nan 0.000 0.476 223 P HA 0.245 nan 4.420 nan 0.000 0.269 223 P C -0.204 177.013 177.300 -0.138 0.000 1.209 223 P CA -0.083 63.011 63.100 -0.010 0.000 0.776 223 P CB 0.554 32.244 31.700 -0.018 0.000 0.876 224 A N 3.141 125.763 122.820 -0.330 0.000 2.462 224 A HA 0.059 4.384 4.320 0.009 0.000 0.243 224 A C 1.280 178.759 177.584 -0.175 0.000 1.076 224 A CA 0.073 51.874 52.037 -0.393 0.000 0.773 224 A CB -0.020 18.399 19.000 -0.968 0.000 1.010 224 A HN 0.533 nan 8.150 nan 0.000 0.493 225 K N 1.432 121.794 120.400 -0.064 0.000 2.031 225 K HA 0.013 4.338 4.320 0.009 0.000 0.205 225 K C -1.574 175.055 176.600 0.049 0.000 1.049 225 K CA 0.875 57.167 56.287 0.009 0.000 0.939 225 K CB -0.907 31.621 32.500 0.047 0.000 0.717 225 K HN 0.625 nan 8.250 nan 0.000 0.438 226 P HA 0.041 nan 4.420 nan 0.000 0.279 226 P C -0.660 176.726 177.300 0.143 0.000 1.239 226 P CA 0.215 63.407 63.100 0.153 0.000 0.789 226 P CB 0.936 32.774 31.700 0.231 0.000 0.933 227 D N 1.618 122.079 120.400 0.101 0.000 2.123 227 D HA 0.017 4.662 4.640 0.009 0.000 0.200 227 D C 0.680 177.057 176.300 0.128 0.000 0.976 227 D CA 1.405 55.456 54.000 0.084 0.000 0.831 227 D CB 0.143 40.976 40.800 0.054 0.000 0.974 227 D HN 0.329 nan 8.370 nan 0.000 0.469 228 L N 0.202 121.498 121.223 0.122 0.000 2.422 228 L HA 0.442 4.787 4.340 0.009 0.000 0.264 228 L C -1.068 175.835 176.870 0.055 0.000 0.984 228 L CA -0.850 54.049 54.840 0.098 0.000 0.819 228 L CB 3.332 45.425 42.059 0.056 0.000 1.330 228 L HN -0.359 nan 8.230 nan 0.000 0.410 229 V N 3.269 123.175 119.914 -0.014 0.000 2.483 229 V HA 0.419 4.544 4.120 0.009 0.000 0.297 229 V C -0.743 175.279 176.094 -0.120 0.000 1.027 229 V CA -0.500 61.714 62.300 -0.144 0.000 0.855 229 V CB 2.132 33.747 31.823 -0.346 0.000 0.995 229 V HN 0.447 nan 8.190 nan 0.000 0.424 230 L N 5.896 127.020 121.223 -0.165 0.000 2.287 230 L HA 0.688 5.033 4.340 0.009 0.000 0.287 230 L C -1.055 175.705 176.870 -0.184 0.000 1.022 230 L CA 0.064 54.861 54.840 -0.072 0.000 0.814 230 L CB 0.814 42.854 42.059 -0.031 0.000 1.217 230 L HN 0.441 nan 8.230 nan 0.000 0.420 231 F N 5.363 125.306 119.950 -0.011 0.000 2.415 231 F HA 0.683 5.213 4.527 0.005 0.000 0.348 231 F C 0.418 176.226 175.800 0.014 0.000 1.119 231 F CA -0.375 57.629 58.000 0.006 0.000 1.069 231 F CB 0.964 39.969 39.000 0.008 0.000 1.124 231 F HN 0.512 nan 8.300 nan 0.000 0.472 232 R N 1.754 122.344 120.500 0.149 0.000 2.707 232 R HA 0.509 4.854 4.340 0.009 0.000 0.272 232 R C -0.874 175.474 176.300 0.079 0.000 1.011 232 R CA -1.233 54.926 56.100 0.099 0.000 0.893 232 R CB 1.312 31.644 30.300 0.054 0.000 1.233 232 R HN 0.616 nan 8.270 nan 0.000 0.464 233 R N 0.993 121.535 120.500 0.069 0.000 2.526 233 R HA -0.074 4.271 4.340 0.009 0.000 0.319 233 R C 0.857 177.182 176.300 0.041 0.000 0.888 233 R CA 1.300 57.434 56.100 0.055 0.000 1.127 233 R CB 0.237 30.565 30.300 0.046 0.000 0.888 233 R HN 0.921 nan 8.270 nan 0.000 0.410 234 G N 2.967 111.791 108.800 0.040 0.000 2.421 234 G HA2 0.151 4.116 3.960 0.009 0.000 0.217 234 G HA3 0.151 4.116 3.960 0.009 0.000 0.217 234 G C 0.730 175.642 174.900 0.021 0.000 1.143 234 G CA 0.622 45.738 45.100 0.026 0.000 0.784 234 G HN 1.098 nan 8.290 nan 0.000 0.541 235 G N -0.728 108.088 108.800 0.027 0.000 2.681 235 G HA2 0.323 4.288 3.960 0.009 0.000 0.220 235 G HA3 0.323 4.288 3.960 0.009 0.000 0.220 235 G C 0.311 175.225 174.900 0.023 0.000 1.353 235 G CA -0.106 45.008 45.100 0.023 0.000 0.872 235 G HN 1.436 nan 8.290 nan 0.000 0.557 236 A N 0.551 123.382 122.820 0.019 0.000 2.520 236 A HA 0.583 4.908 4.320 0.009 0.000 0.235 236 A C -0.142 177.452 177.584 0.016 0.000 1.065 236 A CA 0.640 52.688 52.037 0.019 0.000 0.764 236 A CB -0.163 18.846 19.000 0.015 0.000 1.002 236 A HN 0.587 nan 8.150 nan 0.000 0.502 237 P HA -0.262 nan 4.420 nan 0.000 0.216 237 P C 1.674 178.977 177.300 0.004 0.000 1.157 237 P CA 2.653 65.761 63.100 0.015 0.000 0.880 237 P CB 0.061 31.774 31.700 0.021 0.000 0.791 238 A N -0.412 122.411 122.820 0.004 0.000 1.933 238 A HA -0.134 4.192 4.320 0.009 0.000 0.218 238 A C 2.327 179.908 177.584 -0.005 0.000 1.175 238 A CA 2.224 54.260 52.037 -0.002 0.000 0.628 238 A CB -1.548 17.452 19.000 0.001 0.000 0.814 238 A HN 0.222 nan 8.150 nan 0.000 0.444 239 A N -0.639 122.181 122.820 -0.001 0.000 1.898 239 A HA 0.047 4.372 4.320 0.009 0.000 0.216 239 A C 2.123 179.702 177.584 -0.008 0.000 1.181 239 A CA 1.621 53.656 52.037 -0.003 0.000 0.620 239 A CB -0.586 18.415 19.000 0.002 0.000 0.819 239 A HN 0.669 nan 8.150 nan 0.000 0.442 240 L N -0.076 121.143 121.223 -0.006 0.000 2.017 240 L HA -0.036 4.310 4.340 0.009 0.000 0.208 240 L C 2.663 179.518 176.870 -0.025 0.000 1.073 240 L CA 2.230 57.062 54.840 -0.013 0.000 0.745 240 L CB -0.903 41.151 42.059 -0.008 0.000 0.894 240 L HN 0.338 nan 8.230 nan 0.000 0.432 241 A N -0.802 122.003 122.820 -0.025 0.000 1.917 241 A HA -0.323 4.002 4.320 0.009 0.000 0.219 241 A C 2.117 179.681 177.584 -0.034 0.000 1.182 241 A CA 2.185 54.201 52.037 -0.035 0.000 0.633 241 A CB -1.123 17.859 19.000 -0.031 0.000 0.819 241 A HN 0.593 nan 8.150 nan 0.000 0.448 242 D N -1.345 119.040 120.400 -0.025 0.000 2.144 242 D HA -0.092 4.553 4.640 0.009 0.000 0.200 242 D C 2.176 178.460 176.300 -0.026 0.000 0.978 242 D CA 1.360 55.345 54.000 -0.024 0.000 0.833 242 D CB -0.014 40.776 40.800 -0.017 0.000 0.961 242 D HN 0.342 nan 8.370 nan 0.000 0.470 243 S N -0.952 114.732 115.700 -0.026 0.000 2.368 243 S HA -0.073 4.403 4.470 0.009 0.000 0.224 243 S C 1.996 176.572 174.600 -0.040 0.000 1.029 243 S CA 0.789 58.971 58.200 -0.029 0.000 0.988 243 S CB -0.281 62.903 63.200 -0.026 0.000 0.838 243 S HN 0.297 nan 8.310 nan 0.000 0.462 244 I N 1.125 121.667 120.570 -0.047 0.000 2.353 244 I HA -0.099 4.076 4.170 0.009 0.000 0.248 244 I C 2.731 178.814 176.117 -0.057 0.000 1.119 244 I CA 1.094 62.358 61.300 -0.060 0.000 1.417 244 I CB -0.385 37.573 38.000 -0.070 0.000 1.078 244 I HN 0.310 nan 8.210 nan 0.000 0.421 245 R N 1.354 121.824 120.500 -0.049 0.000 2.096 245 R HA -0.154 4.191 4.340 0.009 0.000 0.235 245 R C 1.618 177.895 176.300 -0.039 0.000 1.127 245 R CA 1.558 57.631 56.100 -0.044 0.000 0.968 245 R CB -0.162 30.116 30.300 -0.038 0.000 0.861 245 R HN 0.384 nan 8.270 nan 0.000 0.440 246 N N -0.482 118.196 118.700 -0.036 0.000 2.398 246 N HA 0.011 4.756 4.740 0.009 0.000 0.188 246 N C 0.620 176.109 175.510 -0.035 0.000 1.122 246 N CA 0.973 54.004 53.050 -0.031 0.000 0.866 246 N CB 0.979 39.451 38.487 -0.026 0.000 0.970 246 N HN 0.532 nan 8.380 nan 0.000 0.462 247 G N 1.360 110.134 108.800 -0.043 0.000 2.162 247 G HA2 -0.243 3.722 3.960 0.009 0.000 0.260 247 G HA3 -0.243 3.722 3.960 0.009 0.000 0.260 247 G C 0.518 175.390 174.900 -0.047 0.000 0.976 247 G CA 0.431 45.502 45.100 -0.048 0.000 0.655 247 G HN 0.296 nan 8.290 nan 0.000 0.533 248 D N 0.150 120.525 120.400 -0.042 0.000 2.317 248 D HA 0.102 4.747 4.640 0.009 0.000 0.211 248 D C 1.042 177.314 176.300 -0.046 0.000 0.966 248 D CA 1.446 55.424 54.000 -0.037 0.000 0.876 248 D CB 0.220 41.003 40.800 -0.029 0.000 0.927 248 D HN 0.425 nan 8.370 nan 0.000 0.519 249 T N 0.206 114.726 114.554 -0.056 0.000 2.861 249 T HA 0.293 4.648 4.350 0.009 0.000 0.287 249 T C 0.611 175.254 174.700 -0.094 0.000 1.003 249 T CA -0.547 61.510 62.100 -0.071 0.000 0.977 249 T CB 2.501 71.332 68.868 -0.062 0.000 0.996 249 T HN -0.273 nan 8.240 nan 0.000 0.448 250 Q N 0.977 120.705 119.800 -0.121 0.000 2.390 250 Q HA 0.346 4.691 4.340 0.009 0.000 0.216 250 Q C 0.220 176.093 176.000 -0.212 0.000 0.916 250 Q CA 0.436 56.143 55.803 -0.160 0.000 0.911 250 Q CB 0.674 29.310 28.738 -0.171 0.000 1.035 250 Q HN 0.476 nan 8.270 nan 0.000 0.541 251 V N -0.318 119.466 119.914 -0.217 0.000 2.962 251 V HA 0.904 5.029 4.120 0.009 0.000 0.313 251 V C -1.250 174.761 176.094 -0.138 0.000 1.099 251 V CA -0.968 61.190 62.300 -0.238 0.000 0.971 251 V CB 1.975 33.569 31.823 -0.381 0.000 1.028 251 V HN 0.086 nan 8.190 nan 0.000 0.430 252 A N 2.490 125.251 122.820 -0.099 0.000 2.520 252 A HA 0.832 5.157 4.320 0.009 0.000 0.298 252 A C -1.097 176.478 177.584 -0.015 0.000 1.051 252 A CA -0.535 51.475 52.037 -0.045 0.000 0.690 252 A CB 2.031 21.003 19.000 -0.046 0.000 1.281 252 A HN 0.787 nan 8.150 nan 0.000 0.402 253 Q N 1.477 121.287 119.800 0.016 0.000 2.533 253 Q HA 0.567 4.913 4.340 0.009 0.000 0.251 253 Q C -1.332 174.659 176.000 -0.016 0.000 0.966 253 Q CA -0.498 55.307 55.803 0.003 0.000 0.714 253 Q CB 1.381 30.139 28.738 0.033 0.000 1.284 253 Q HN 1.165 nan 8.270 nan 0.000 0.478 254 V N -0.482 119.407 119.914 -0.042 0.000 3.102 254 V HA 0.617 4.742 4.120 0.009 0.000 0.312 254 V C -0.856 175.177 176.094 -0.101 0.000 1.135 254 V CA -1.021 61.267 62.300 -0.020 0.000 1.022 254 V CB 1.787 33.630 31.823 0.033 0.000 1.056 254 V HN 0.701 nan 8.190 nan 0.000 0.436 255 H N 0.644 119.732 119.070 0.029 0.000 2.610 255 H HA 0.816 5.377 4.556 0.008 0.000 0.336 255 H C 0.582 175.936 175.328 0.043 0.000 1.087 255 H CA 1.238 57.307 56.048 0.034 0.000 1.405 255 H CB 1.443 31.223 29.762 0.030 0.000 1.460 255 H HN 1.320 nan 8.280 nan 0.000 0.538 256 G N 0.517 109.405 108.800 0.147 0.000 2.519 256 G HA2 0.459 4.424 3.960 0.009 0.000 0.292 256 G HA3 0.459 4.424 3.960 0.009 0.000 0.292 256 G C -0.329 174.632 174.900 0.102 0.000 1.507 256 G CA -0.338 44.830 45.100 0.113 0.000 0.806 256 G HN 0.824 nan 8.290 nan 0.000 0.523 257 G N -0.802 108.052 108.800 0.090 0.000 2.543 257 G HA2 0.633 4.598 3.960 0.009 0.000 0.267 257 G HA3 0.633 4.598 3.960 0.009 0.000 0.267 257 G C 1.432 176.387 174.900 0.091 0.000 1.406 257 G CA 0.629 45.773 45.100 0.072 0.000 1.048 257 G HN 1.559 nan 8.290 nan 0.000 0.548 258 A N -0.944 121.914 122.820 0.063 0.000 1.930 258 A HA 0.246 4.571 4.320 0.009 0.000 0.217 258 A C 2.653 180.317 177.584 0.134 0.000 1.175 258 A CA 2.325 54.410 52.037 0.080 0.000 0.627 258 A CB -0.844 18.175 19.000 0.032 0.000 0.815 258 A HN 1.121 nan 8.150 nan 0.000 0.443 259 A N -0.824 122.051 122.820 0.092 0.000 1.855 259 A HA -0.079 4.246 4.320 0.009 0.000 0.215 259 A C 2.315 179.948 177.584 0.082 0.000 1.191 259 A CA 2.281 54.364 52.037 0.077 0.000 0.613 259 A CB -1.371 17.659 19.000 0.051 0.000 0.829 259 A HN 0.397 nan 8.150 nan 0.000 0.442 260 T N -0.662 113.944 114.554 0.087 0.000 2.684 260 T HA -0.183 4.172 4.350 0.009 0.000 0.267 260 T C 1.619 176.370 174.700 0.086 0.000 1.036 260 T CA 1.732 63.876 62.100 0.074 0.000 1.148 260 T CB -0.464 68.451 68.868 0.078 0.000 0.863 260 T HN 0.456 nan 8.240 nan 0.000 0.436 261 F N 2.036 121.985 119.950 -0.002 0.000 2.095 261 F HA -0.111 4.421 4.527 0.007 0.000 0.298 261 F C 2.438 178.232 175.800 -0.009 0.000 1.104 261 F CA 1.271 59.266 58.000 -0.008 0.000 1.232 261 F CB -0.569 38.427 39.000 -0.006 0.000 0.987 261 F HN 0.148 nan 8.300 nan 0.000 0.475 262 A N -0.371 122.528 122.820 0.132 0.000 1.930 262 A HA -0.238 4.087 4.320 0.009 0.000 0.217 262 A C 2.218 179.769 177.584 -0.055 0.000 1.175 262 A CA 1.600 53.658 52.037 0.035 0.000 0.627 262 A CB -1.010 18.048 19.000 0.096 0.000 0.815 262 A HN 0.606 nan 8.150 nan 0.000 0.443 263 Q N -0.453 119.328 119.800 -0.033 0.000 2.124 263 Q HA -0.129 4.217 4.340 0.009 0.000 0.202 263 Q C 1.929 177.877 176.000 -0.086 0.000 0.977 263 Q CA 1.487 57.263 55.803 -0.044 0.000 0.850 263 Q CB -0.195 28.531 28.738 -0.019 0.000 0.901 263 Q HN 0.708 nan 8.270 nan 0.000 0.429 264 L N -0.368 120.774 121.223 -0.135 0.000 2.131 264 L HA -0.089 4.256 4.340 0.009 0.000 0.206 264 L C 2.430 179.171 176.870 -0.215 0.000 1.087 264 L CA 0.818 55.557 54.840 -0.169 0.000 0.767 264 L CB -0.225 41.720 42.059 -0.190 0.000 0.917 264 L HN 0.120 nan 8.230 nan 0.000 0.441 265 S N 0.327 115.842 115.700 -0.309 0.000 2.419 265 S HA -0.124 4.351 4.470 0.009 0.000 0.233 265 S C 2.023 176.530 174.600 -0.155 0.000 1.016 265 S CA 1.116 59.143 58.200 -0.288 0.000 0.974 265 S CB -0.213 62.767 63.200 -0.366 0.000 0.786 265 S HN 0.479 nan 8.310 nan 0.000 0.492 266 A N 0.708 123.457 122.820 -0.117 0.000 2.167 266 A HA 0.262 4.587 4.320 0.009 0.000 0.214 266 A C 0.762 178.305 177.584 -0.067 0.000 1.151 266 A CA 0.077 52.070 52.037 -0.073 0.000 0.735 266 A CB -0.422 18.547 19.000 -0.051 0.000 0.802 266 A HN 0.451 nan 8.150 nan 0.000 0.467 267 I N 1.519 122.040 120.570 -0.081 0.000 2.471 267 I HA 0.150 4.325 4.170 0.009 0.000 0.286 267 I C -2.238 173.838 176.117 -0.068 0.000 1.079 267 I CA -1.971 59.287 61.300 -0.070 0.000 1.398 267 I CB 0.720 38.675 38.000 -0.075 0.000 1.403 267 I HN 0.004 nan 8.210 nan 0.000 0.530 268 P HA -0.057 nan 4.420 nan 0.000 0.261 268 P C -0.314 176.952 177.300 -0.057 0.000 1.173 268 P CA 0.444 63.514 63.100 -0.050 0.000 0.760 268 P CB 0.214 31.889 31.700 -0.041 0.000 0.783 269 D N -0.632 119.734 120.400 -0.056 0.000 3.059 269 D HA -0.137 4.508 4.640 0.009 0.000 0.220 269 D C -0.340 175.916 176.300 -0.074 0.000 1.169 269 D CA 0.713 54.678 54.000 -0.059 0.000 0.902 269 D CB -1.623 39.145 40.800 -0.052 0.000 1.116 269 D HN 0.143 nan 8.370 nan 0.000 0.417 270 V N 0.870 120.733 119.914 -0.086 0.000 2.407 270 V HA 0.266 4.391 4.120 0.009 0.000 0.278 270 V C 0.972 176.998 176.094 -0.114 0.000 1.037 270 V CA -0.382 61.855 62.300 -0.105 0.000 0.900 270 V CB 1.673 33.426 31.823 -0.116 0.000 0.983 270 V HN -0.030 nan 8.190 nan 0.000 0.459 271 R N 2.899 123.332 120.500 -0.111 0.000 2.368 271 R HA 0.676 5.021 4.340 0.009 0.000 0.302 271 R C -0.026 176.203 176.300 -0.119 0.000 1.002 271 R CA -0.348 55.692 56.100 -0.100 0.000 0.929 271 R CB 1.641 31.895 30.300 -0.078 0.000 1.073 271 R HN 0.886 nan 8.270 nan 0.000 0.464 272 T N -1.235 113.245 114.554 -0.123 0.000 2.896 272 T HA 0.878 5.233 4.350 0.009 0.000 0.297 272 T C -0.749 174.000 174.700 0.081 0.000 1.108 272 T CA -0.892 61.128 62.100 -0.133 0.000 1.004 272 T CB 2.261 70.828 68.868 -0.503 0.000 1.159 272 T HN 0.678 nan 8.240 nan 0.000 0.499 273 A N 0.964 123.934 122.820 0.249 0.000 2.564 273 A HA 0.856 5.182 4.320 0.009 0.000 0.291 273 A C -1.282 176.488 177.584 0.310 0.000 1.102 273 A CA -1.158 51.071 52.037 0.320 0.000 0.660 273 A CB 1.488 20.563 19.000 0.126 0.000 1.283 273 A HN 1.063 nan 8.150 nan 0.000 0.430 274 R N 0.360 120.919 120.500 0.098 0.000 2.480 274 R HA 0.734 5.079 4.340 0.009 0.000 0.306 274 R C -1.061 175.229 176.300 -0.017 0.000 0.958 274 R CA -0.455 55.643 56.100 -0.003 0.000 0.861 274 R CB 0.858 31.067 30.300 -0.153 0.000 1.171 274 R HN 0.925 nan 8.270 nan 0.000 0.445 275 I N 1.339 121.898 120.570 -0.018 0.000 2.892 275 I HA 0.566 4.741 4.170 0.009 0.000 0.306 275 I C -0.190 175.906 176.117 -0.035 0.000 1.078 275 I CA -1.410 59.876 61.300 -0.022 0.000 1.032 275 I CB 1.977 39.971 38.000 -0.011 0.000 1.229 275 I HN 0.354 nan 8.210 nan 0.000 0.435 276 V N 0.459 120.355 119.914 -0.030 0.000 2.834 276 V HA 0.539 4.664 4.120 0.009 0.000 0.301 276 V C 0.224 176.298 176.094 -0.034 0.000 1.066 276 V CA -0.044 62.239 62.300 -0.028 0.000 1.052 276 V CB 0.879 32.687 31.823 -0.025 0.000 1.021 276 V HN 0.874 nan 8.190 nan 0.000 0.480 277 T N 4.709 119.242 114.554 -0.035 0.000 2.902 277 T HA 0.468 4.823 4.350 0.009 0.000 0.283 277 T C -2.331 172.348 174.700 -0.035 0.000 1.009 277 T CA -1.125 60.941 62.100 -0.056 0.000 1.051 277 T CB 1.672 70.480 68.868 -0.100 0.000 0.999 277 T HN 0.772 nan 8.240 nan 0.000 0.474 278 P HA 0.116 nan 4.420 nan 0.000 0.238 278 P C -0.517 176.785 177.300 0.005 0.000 1.714 278 P CA -0.097 63.002 63.100 -0.003 0.000 0.908 278 P CB -0.506 31.197 31.700 0.004 0.000 1.893 279 R N -1.406 119.106 120.500 0.019 0.000 2.668 279 R HA 0.717 5.062 4.340 0.009 0.000 0.272 279 R C -1.868 174.625 176.300 0.321 0.000 1.019 279 R CA -1.141 55.030 56.100 0.118 0.000 0.894 279 R CB 1.240 31.500 30.300 -0.067 0.000 1.228 279 R HN -0.215 nan 8.270 nan 0.000 0.460 280 V N 3.324 123.490 119.914 0.421 0.000 2.531 280 V HA 0.372 4.497 4.120 0.009 0.000 0.301 280 V C -0.190 176.037 176.094 0.222 0.000 1.034 280 V CA -0.845 61.655 62.300 0.333 0.000 0.865 280 V CB 1.871 33.788 31.823 0.156 0.000 0.995 280 V HN 0.825 nan 8.190 nan 0.000 0.424 281 M N 4.594 124.101 119.600 -0.156 0.000 2.185 281 M HA 0.448 4.933 4.480 0.009 0.000 0.357 281 M C -0.563 175.573 176.300 -0.273 0.000 1.260 281 M CA 0.281 55.208 55.300 -0.622 0.000 1.124 281 M CB 0.627 32.550 32.600 -1.128 0.000 1.600 281 M HN 0.717 nan 8.290 nan 0.000 0.467 282 Q N 3.856 123.517 119.800 -0.232 0.000 2.389 282 Q HA 0.538 4.883 4.340 0.009 0.000 0.277 282 Q C -1.688 174.238 176.000 -0.122 0.000 1.082 282 Q CA -0.859 54.869 55.803 -0.125 0.000 0.810 282 Q CB 3.269 31.965 28.738 -0.069 0.000 1.374 282 Q HN 0.769 nan 8.270 nan 0.000 0.422 283 L N 1.080 122.253 121.223 -0.082 0.000 2.296 283 L HA 0.591 4.936 4.340 0.009 0.000 0.286 283 L C -1.155 175.688 176.870 -0.046 0.000 1.023 283 L CA -0.056 54.744 54.840 -0.067 0.000 0.812 283 L CB 1.498 43.525 42.059 -0.053 0.000 1.223 283 L HN 0.572 nan 8.230 nan 0.000 0.421 284 T N 5.763 120.291 114.554 -0.044 0.000 2.812 284 T HA 0.475 4.830 4.350 0.009 0.000 0.282 284 T C -0.181 174.502 174.700 -0.028 0.000 0.990 284 T CA -0.425 61.654 62.100 -0.034 0.000 0.960 284 T CB 1.296 70.142 68.868 -0.037 0.000 0.948 284 T HN 0.397 nan 8.240 nan 0.000 0.438 285 L N 2.876 124.089 121.223 -0.016 0.000 2.399 285 L HA 0.517 4.862 4.340 0.009 0.000 0.266 285 L C 0.833 177.698 176.870 -0.009 0.000 1.114 285 L CA -0.933 53.900 54.840 -0.012 0.000 0.804 285 L CB 0.637 42.695 42.059 -0.001 0.000 1.146 285 L HN 0.334 nan 8.230 nan 0.000 0.451 286 R N 2.133 122.627 120.500 -0.010 0.000 2.369 286 R HA 0.262 4.607 4.340 0.009 0.000 0.310 286 R C 0.545 176.847 176.300 0.002 0.000 1.141 286 R CA -0.223 55.873 56.100 -0.007 0.000 1.116 286 R CB 1.142 31.434 30.300 -0.013 0.000 1.135 286 R HN 0.783 nan 8.270 nan 0.000 0.529 287 A N 2.731 125.555 122.820 0.008 0.000 2.121 287 A HA -0.175 4.150 4.320 0.009 0.000 0.218 287 A C 1.983 179.575 177.584 0.014 0.000 1.154 287 A CA 0.904 52.950 52.037 0.015 0.000 0.679 287 A CB -0.013 18.999 19.000 0.020 0.000 0.795 287 A HN 0.636 nan 8.150 nan 0.000 0.458 288 Q N -0.334 119.472 119.800 0.010 0.000 2.311 288 Q HA -0.053 4.293 4.340 0.009 0.000 0.203 288 Q C -0.026 175.979 176.000 0.009 0.000 0.954 288 Q CA 0.419 56.228 55.803 0.009 0.000 0.885 288 Q CB -0.402 28.340 28.738 0.006 0.000 0.963 288 Q HN 0.534 nan 8.270 nan 0.000 0.471 289 Q N 2.172 121.977 119.800 0.008 0.000 2.255 289 Q HA 0.071 4.417 4.340 0.009 0.000 0.280 289 Q C -1.695 174.315 176.000 0.018 0.000 1.068 289 Q CA -1.209 54.600 55.803 0.010 0.000 0.911 289 Q CB 1.057 29.799 28.738 0.006 0.000 1.157 289 Q HN 0.097 nan 8.270 nan 0.000 0.380 290 P HA -0.188 nan 4.420 nan 0.000 0.217 290 P C 0.652 177.975 177.300 0.038 0.000 1.148 290 P CA 1.525 64.639 63.100 0.023 0.000 0.834 290 P CB 0.300 32.011 31.700 0.018 0.000 0.783 291 K N -1.109 119.319 120.400 0.047 0.000 2.365 291 K HA 0.044 4.369 4.320 0.009 0.000 0.199 291 K C 1.372 178.018 176.600 0.076 0.000 1.045 291 K CA 0.760 57.095 56.287 0.080 0.000 0.962 291 K CB -0.154 32.396 32.500 0.084 0.000 0.759 291 K HN 0.240 nan 8.250 nan 0.000 0.469 292 L N -0.595 120.656 121.223 0.046 0.000 2.808 292 L HA 0.231 4.576 4.340 0.009 0.000 0.246 292 L C 1.738 178.628 176.870 0.035 0.000 1.153 292 L CA -0.212 54.649 54.840 0.035 0.000 0.956 292 L CB 0.387 42.457 42.059 0.018 0.000 1.270 292 L HN 0.014 nan 8.230 nan 0.000 0.528 293 A N -0.658 122.184 122.820 0.037 0.000 2.015 293 A HA -0.147 4.178 4.320 0.009 0.000 0.219 293 A C 0.989 178.594 177.584 0.036 0.000 1.163 293 A CA 0.778 52.834 52.037 0.032 0.000 0.646 293 A CB -0.241 18.775 19.000 0.027 0.000 0.806 293 A HN 0.318 nan 8.150 nan 0.000 0.448 294 D N -0.334 120.094 120.400 0.046 0.000 2.371 294 D HA 0.203 4.848 4.640 0.009 0.000 0.256 294 D C -1.720 174.608 176.300 0.046 0.000 1.193 294 D CA -2.061 51.968 54.000 0.049 0.000 0.881 294 D CB 1.192 42.033 40.800 0.069 0.000 1.143 294 D HN 0.039 nan 8.370 nan 0.000 0.473 295 P HA -0.115 nan 4.420 nan 0.000 0.218 295 P C 1.267 178.591 177.300 0.040 0.000 1.149 295 P CA 0.841 63.964 63.100 0.039 0.000 0.817 295 P CB 0.330 32.052 31.700 0.037 0.000 0.785 296 Q N -0.429 119.396 119.800 0.042 0.000 2.084 296 Q HA -0.089 4.256 4.340 0.009 0.000 0.202 296 Q C 2.167 178.191 176.000 0.039 0.000 0.978 296 Q CA 1.281 57.109 55.803 0.041 0.000 0.844 296 Q CB -1.103 27.663 28.738 0.047 0.000 0.898 296 Q HN 0.182 nan 8.270 nan 0.000 0.426 297 V N 0.954 120.898 119.914 0.049 0.000 2.295 297 V HA -0.251 3.874 4.120 0.009 0.000 0.246 297 V C 2.422 178.517 176.094 0.000 0.000 1.049 297 V CA 1.709 64.026 62.300 0.028 0.000 1.024 297 V CB -0.513 31.350 31.823 0.067 0.000 0.648 297 V HN 0.294 nan 8.190 nan 0.000 0.447 298 R N 0.046 120.557 120.500 0.018 0.000 2.083 298 R HA -0.186 4.159 4.340 0.009 0.000 0.237 298 R C 2.415 178.728 176.300 0.023 0.000 1.137 298 R CA 1.678 57.788 56.100 0.018 0.000 0.951 298 R CB -0.299 30.019 30.300 0.030 0.000 0.851 298 R HN 0.474 nan 8.270 nan 0.000 0.434 299 K N -0.229 120.189 120.400 0.030 0.000 2.211 299 K HA -0.072 4.253 4.320 0.009 0.000 0.203 299 K C 1.965 178.576 176.600 0.019 0.000 1.050 299 K CA 1.210 57.518 56.287 0.035 0.000 0.945 299 K CB 0.020 32.542 32.500 0.037 0.000 0.732 299 K HN 0.168 nan 8.250 nan 0.000 0.451 300 A N 1.227 124.048 122.820 0.003 0.000 1.874 300 A HA -0.083 4.242 4.320 0.009 0.000 0.214 300 A C 1.979 179.547 177.584 -0.027 0.000 1.189 300 A CA 0.826 52.854 52.037 -0.015 0.000 0.615 300 A CB -0.280 18.702 19.000 -0.030 0.000 0.830 300 A HN 0.044 nan 8.150 nan 0.000 0.443 301 I N 0.381 120.930 120.570 -0.036 0.000 2.127 301 I HA -0.255 3.920 4.170 0.009 0.000 0.241 301 I C 2.477 178.586 176.117 -0.014 0.000 1.075 301 I CA 1.463 62.740 61.300 -0.038 0.000 1.334 301 I CB -1.443 36.532 38.000 -0.041 0.000 1.040 301 I HN 0.286 nan 8.210 nan 0.000 0.405 302 L N 0.277 121.504 121.223 0.008 0.000 2.141 302 L HA -0.092 4.253 4.340 0.009 0.000 0.209 302 L C 2.617 179.503 176.870 0.027 0.000 1.094 302 L CA 1.282 56.140 54.840 0.030 0.000 0.763 302 L CB -1.060 41.038 42.059 0.065 0.000 0.908 302 L HN 0.298 nan 8.230 nan 0.000 0.437 303 G N 0.066 108.876 108.800 0.017 0.000 2.443 303 G HA2 -0.172 3.793 3.960 0.009 0.000 0.219 303 G HA3 -0.172 3.793 3.960 0.009 0.000 0.219 303 G C 1.573 176.471 174.900 -0.003 0.000 1.131 303 G CA 0.315 45.419 45.100 0.006 0.000 0.775 303 G HN 0.265 nan 8.290 nan 0.000 0.547 304 L N 0.096 121.313 121.223 -0.010 0.000 2.478 304 L HA 0.301 4.646 4.340 0.009 0.000 0.223 304 L C 0.577 177.440 176.870 -0.012 0.000 1.140 304 L CA -0.022 54.809 54.840 -0.016 0.000 0.842 304 L CB 0.020 42.062 42.059 -0.028 0.000 0.953 304 L HN 0.113 nan 8.230 nan 0.000 0.452 305 I N 0.053 120.620 120.570 -0.005 0.000 2.331 305 I HA 0.088 4.263 4.170 0.009 0.000 0.292 305 I C -0.202 175.917 176.117 0.003 0.000 0.998 305 I CA -0.464 60.835 61.300 -0.003 0.000 1.267 305 I CB 1.206 39.206 38.000 -0.000 0.000 1.386 305 I HN -0.130 nan 8.210 nan 0.000 0.476 306 D N 6.184 126.583 120.400 -0.001 0.000 2.365 306 D HA 0.050 4.695 4.640 0.009 0.000 0.237 306 D C 0.679 176.983 176.300 0.006 0.000 1.190 306 D CA 0.033 54.034 54.000 0.002 0.000 0.867 306 D CB 1.676 42.475 40.800 -0.002 0.000 1.050 306 D HN 0.314 nan 8.370 nan 0.000 0.491 307 V N 4.087 124.011 119.914 0.016 0.000 2.515 307 V HA -0.183 3.942 4.120 0.009 0.000 0.250 307 V C 1.183 177.289 176.094 0.020 0.000 1.058 307 V CA 1.706 64.021 62.300 0.025 0.000 1.064 307 V CB -0.102 31.754 31.823 0.054 0.000 0.675 307 V HN 0.459 nan 8.190 nan 0.000 0.461 308 D N -0.137 120.273 120.400 0.017 0.000 2.144 308 D HA -0.154 4.491 4.640 0.009 0.000 0.199 308 D C 1.840 178.146 176.300 0.010 0.000 0.984 308 D CA 1.520 55.530 54.000 0.015 0.000 0.834 308 D CB -0.298 40.509 40.800 0.012 0.000 0.955 308 D HN 0.453 nan 8.370 nan 0.000 0.465 309 L N 0.382 121.607 121.223 0.005 0.000 2.017 309 L HA -0.097 4.248 4.340 0.009 0.000 0.208 309 L C 1.974 178.842 176.870 -0.003 0.000 1.073 309 L CA 1.468 56.308 54.840 0.001 0.000 0.745 309 L CB -0.515 41.543 42.059 -0.003 0.000 0.894 309 L HN 0.064 nan 8.230 nan 0.000 0.432 310 L N -0.608 120.611 121.223 -0.007 0.000 2.012 310 L HA -0.215 4.130 4.340 0.009 0.000 0.210 310 L C 2.697 179.556 176.870 -0.019 0.000 1.073 310 L CA 1.337 56.166 54.840 -0.019 0.000 0.748 310 L CB -1.062 40.982 42.059 -0.025 0.000 0.891 310 L HN 0.421 nan 8.230 nan 0.000 0.431 311 A N 0.390 123.207 122.820 -0.005 0.000 1.877 311 A HA -0.230 4.095 4.320 0.009 0.000 0.216 311 A C 2.535 180.127 177.584 0.014 0.000 1.186 311 A CA 2.159 54.200 52.037 0.005 0.000 0.620 311 A CB -0.725 18.287 19.000 0.021 0.000 0.822 311 A HN 0.550 nan 8.150 nan 0.000 0.443 312 S N -0.328 115.380 115.700 0.013 0.000 2.368 312 S HA -0.125 4.350 4.470 0.009 0.000 0.225 312 S C 1.740 176.349 174.600 0.014 0.000 1.030 312 S CA 1.440 59.650 58.200 0.017 0.000 0.999 312 S CB -1.001 62.207 63.200 0.013 0.000 0.844 312 S HN 0.257 nan 8.310 nan 0.000 0.459 313 V N 2.469 122.385 119.914 0.004 0.000 2.407 313 V HA -0.047 4.078 4.120 0.009 0.000 0.248 313 V C 2.908 179.004 176.094 0.002 0.000 1.055 313 V CA 1.792 64.092 62.300 0.000 0.000 1.049 313 V CB -1.709 30.108 31.823 -0.010 0.000 0.662 313 V HN 0.656 nan 8.190 nan 0.000 0.455 314 G N -0.359 108.439 108.800 -0.003 0.000 2.421 314 G HA2 -0.197 3.768 3.960 0.009 0.000 0.216 314 G HA3 -0.197 3.768 3.960 0.009 0.000 0.216 314 G C 1.758 176.690 174.900 0.053 0.000 1.171 314 G CA 1.063 46.166 45.100 0.005 0.000 0.775 314 G HN 0.602 nan 8.290 nan 0.000 0.543 315 A N -0.086 122.771 122.820 0.060 0.000 1.897 315 A HA 0.462 4.787 4.320 0.009 0.000 0.215 315 A C 1.745 179.365 177.584 0.060 0.000 1.181 315 A CA 1.755 53.842 52.037 0.083 0.000 0.620 315 A CB -0.919 18.128 19.000 0.078 0.000 0.821 315 A HN 1.938 nan 8.150 nan 0.000 0.443 316 G N -0.036 108.787 108.800 0.040 0.000 2.795 316 G HA2 -0.087 3.878 3.960 0.009 0.000 0.664 316 G HA3 -0.087 3.878 3.960 0.009 0.000 0.664 316 G C -0.886 174.034 174.900 0.034 0.000 1.381 316 G CA -0.230 44.888 45.100 0.030 0.000 0.853 316 G HN 0.749 nan 8.290 nan 0.000 0.545 317 D N 0.670 121.087 120.400 0.028 0.000 2.434 317 D HA 0.399 5.044 4.640 0.009 0.000 0.252 317 D C 0.485 176.808 176.300 0.040 0.000 1.185 317 D CA 1.116 55.134 54.000 0.030 0.000 0.886 317 D CB 1.068 41.884 40.800 0.027 0.000 1.148 317 D HN 0.829 nan 8.370 nan 0.000 0.483 318 D N 1.198 121.626 120.400 0.046 0.000 2.942 318 D HA -0.151 4.494 4.640 0.009 0.000 0.251 318 D C -1.254 175.094 176.300 0.080 0.000 1.054 318 D CA 0.426 54.463 54.000 0.060 0.000 0.826 318 D CB -0.952 39.885 40.800 0.060 0.000 1.044 318 D HN 0.596 nan 8.370 nan 0.000 0.429 319 N N -0.382 118.361 118.700 0.072 0.000 4.107 319 N HA 0.257 5.002 4.740 0.009 0.000 0.213 319 N C -1.656 173.887 175.510 0.054 0.000 1.216 319 N CA -0.208 52.892 53.050 0.083 0.000 0.925 319 N CB 1.580 40.141 38.487 0.123 0.000 1.541 319 N HN 0.057 nan 8.380 nan 0.000 0.524 320 T N 0.545 115.123 114.554 0.039 0.000 2.895 320 T HA 0.628 4.983 4.350 0.009 0.000 0.283 320 T C -0.614 174.102 174.700 0.028 0.000 1.014 320 T CA -0.310 61.801 62.100 0.018 0.000 1.037 320 T CB 0.864 69.722 68.868 -0.017 0.000 1.006 320 T HN 0.147 nan 8.240 nan 0.000 0.468 321 V N 4.413 124.341 119.914 0.024 0.000 2.465 321 V HA 0.401 4.526 4.120 0.009 0.000 0.279 321 V C 0.426 176.536 176.094 0.026 0.000 1.045 321 V CA -0.458 61.863 62.300 0.034 0.000 0.938 321 V CB 1.474 33.317 31.823 0.032 0.000 0.986 321 V HN 1.018 nan 8.190 nan 0.000 0.467 322 T N 6.631 121.204 114.554 0.033 0.000 2.842 322 T HA 0.510 4.865 4.350 0.009 0.000 0.308 322 T C -0.160 174.558 174.700 0.029 0.000 1.041 322 T CA -0.313 61.797 62.100 0.018 0.000 0.964 322 T CB 0.419 69.286 68.868 -0.003 0.000 0.972 322 T HN 0.344 nan 8.240 nan 0.000 0.460 323 L N 2.488 123.736 121.223 0.041 0.000 2.426 323 L HA 0.516 4.861 4.340 0.009 0.000 0.271 323 L C 0.775 177.695 176.870 0.084 0.000 1.169 323 L CA -0.604 54.277 54.840 0.068 0.000 0.836 323 L CB 0.433 42.543 42.059 0.085 0.000 1.112 323 L HN 0.619 nan 8.230 nan 0.000 0.465 324 A N 3.413 126.297 122.820 0.107 0.000 2.280 324 A HA 0.436 4.761 4.320 0.009 0.000 0.320 324 A C 0.151 177.892 177.584 0.262 0.000 1.366 324 A CA -0.378 51.750 52.037 0.152 0.000 0.938 324 A CB 0.372 19.437 19.000 0.109 0.000 1.157 324 A HN 0.874 nan 8.150 nan 0.000 0.536 325 Q N 1.117 121.151 119.800 0.391 0.000 2.135 325 Q HA 0.423 4.768 4.340 0.009 0.000 0.222 325 Q C 0.138 176.425 176.000 0.478 0.000 0.808 325 Q CA 0.135 56.172 55.803 0.390 0.000 1.049 325 Q CB 1.198 30.084 28.738 0.245 0.000 1.168 325 Q HN 0.820 nan 8.270 nan 0.000 0.483 326 A N -0.121 122.997 122.820 0.496 0.000 2.430 326 A HA 0.461 4.786 4.320 0.009 0.000 0.300 326 A C 0.210 177.921 177.584 0.212 0.000 1.124 326 A CA -0.494 51.785 52.037 0.403 0.000 0.766 326 A CB 1.493 20.675 19.000 0.303 0.000 1.328 326 A HN -0.020 nan 8.150 nan 0.000 0.424 327 Q N -0.218 119.590 119.800 0.013 0.000 2.084 327 Q HA 0.004 4.349 4.340 0.009 0.000 0.194 327 Q C 2.096 178.118 176.000 0.036 0.000 0.969 327 Q CA 1.631 57.328 55.803 -0.176 0.000 0.829 327 Q CB -0.303 28.115 28.738 -0.534 0.000 0.904 327 Q HN 0.594 nan 8.270 nan 0.000 0.464 328 V N 1.078 121.015 119.914 0.039 0.000 2.273 328 V HA -0.083 4.042 4.120 0.009 0.000 0.242 328 V C 1.232 177.407 176.094 0.135 0.000 1.035 328 V CA 1.013 63.379 62.300 0.110 0.000 1.013 328 V CB -0.295 31.568 31.823 0.066 0.000 0.652 328 V HN 0.202 nan 8.190 nan 0.000 0.452 329 R N 0.615 121.210 120.500 0.158 0.000 2.539 329 R HA 0.338 4.684 4.340 0.009 0.000 0.275 329 R C -0.089 176.350 176.300 0.231 0.000 1.077 329 R CA -0.062 56.161 56.100 0.205 0.000 1.097 329 R CB 0.737 31.195 30.300 0.264 0.000 1.018 329 R HN 0.346 nan 8.270 nan 0.000 0.483 330 S N 3.049 118.832 115.700 0.139 0.000 2.616 330 S HA 0.166 4.641 4.470 0.009 0.000 0.277 330 S C -1.722 172.747 174.600 -0.218 0.000 1.234 330 S CA -1.369 56.840 58.200 0.014 0.000 1.028 330 S CB 1.636 64.848 63.200 0.019 0.000 0.988 330 S HN 0.441 nan 8.310 nan 0.000 0.522 331 P HA -0.121 nan 4.420 nan 0.000 0.220 331 P C 1.232 178.264 177.300 -0.446 0.000 1.144 331 P CA 0.999 63.434 63.100 -1.107 0.000 0.800 331 P CB -0.060 31.229 31.700 -0.685 0.000 0.772 332 S N -2.733 112.846 115.700 -0.200 0.000 2.470 332 S HA -0.013 4.462 4.470 0.009 0.000 0.225 332 S C 0.746 175.338 174.600 -0.014 0.000 1.006 332 S CA 0.057 58.210 58.200 -0.077 0.000 0.934 332 S CB -0.827 62.347 63.200 -0.044 0.000 0.778 332 S HN 0.046 nan 8.310 nan 0.000 0.517 333 D N 3.827 124.238 120.400 0.017 0.000 2.458 333 D HA 0.162 4.807 4.640 0.009 0.000 0.243 333 D C -1.612 174.751 176.300 0.105 0.000 1.146 333 D CA -1.501 52.544 54.000 0.076 0.000 0.877 333 D CB 0.803 41.674 40.800 0.118 0.000 1.176 333 D HN 0.102 nan 8.370 nan 0.000 0.461 334 P HA -0.112 nan 4.420 nan 0.000 0.216 334 P C 1.250 178.608 177.300 0.096 0.000 1.153 334 P CA 1.186 64.331 63.100 0.075 0.000 0.858 334 P CB 0.232 31.962 31.700 0.049 0.000 0.789 335 G N -2.442 106.417 108.800 0.099 0.000 3.124 335 G HA2 -0.119 3.846 3.960 0.009 0.000 0.212 335 G HA3 -0.119 3.846 3.960 0.009 0.000 0.212 335 G C -0.161 174.805 174.900 0.110 0.000 1.181 335 G CA -0.243 44.908 45.100 0.086 0.000 0.803 335 G HN 0.244 nan 8.290 nan 0.000 0.529 336 Y N 1.991 122.311 120.300 0.034 0.000 2.496 336 Y HA 0.377 4.932 4.550 0.009 0.000 0.334 336 Y C 0.028 175.952 175.900 0.039 0.000 1.080 336 Y CA -0.943 57.182 58.100 0.043 0.000 1.355 336 Y CB 0.749 39.237 38.460 0.047 0.000 1.193 336 Y HN 0.078 nan 8.280 nan 0.000 0.523 337 V N 4.903 124.457 119.914 -0.601 0.000 2.876 337 V HA 0.642 4.767 4.120 0.009 0.000 0.312 337 V C -2.821 172.796 176.094 -0.794 0.000 1.085 337 V CA -2.988 58.952 62.300 -0.601 0.000 0.945 337 V CB 1.593 33.273 31.823 -0.237 0.000 1.017 337 V HN 0.656 nan 8.190 nan 0.000 0.428 338 P HA 0.295 nan 4.420 nan 0.000 0.271 338 P C 0.604 177.816 177.300 -0.147 0.000 1.220 338 P CA 0.172 63.108 63.100 -0.273 0.000 0.768 338 P CB 0.770 32.402 31.700 -0.112 0.000 0.848 339 T N -1.368 113.167 114.554 -0.032 0.000 3.043 339 T HA 0.412 4.767 4.350 0.009 0.000 0.272 339 T C 0.682 175.231 174.700 -0.251 0.000 0.990 339 T CA -0.313 61.779 62.100 -0.014 0.000 0.897 339 T CB -0.064 68.910 68.868 0.176 0.000 1.111 339 T HN 0.376 nan 8.240 nan 0.000 0.529 340 A N 3.255 125.836 122.820 -0.399 0.000 2.520 340 A HA 0.559 4.884 4.320 0.009 0.000 0.245 340 A C -2.083 175.078 177.584 -0.705 0.000 1.072 340 A CA -0.989 50.426 52.037 -1.036 0.000 0.761 340 A CB -0.421 18.170 19.000 -0.682 0.000 1.004 340 A HN 0.339 nan 8.150 nan 0.000 0.499 341 P HA 0.323 nan 4.420 nan 0.000 0.269 341 P C -2.337 174.783 177.300 -0.300 0.000 1.215 341 P CA -0.742 62.111 63.100 -0.411 0.000 0.780 341 P CB -0.361 31.134 31.700 -0.342 0.000 0.898 342 P HA 0.142 nan 4.420 nan 0.000 0.267 342 P C -0.473 176.757 177.300 -0.116 0.000 1.200 342 P CA -0.026 62.994 63.100 -0.133 0.000 0.772 342 P CB 0.201 31.844 31.700 -0.095 0.000 0.855 343 A N 3.334 126.100 122.820 -0.091 0.000 2.520 343 A HA 0.357 4.682 4.320 0.009 0.000 0.235 343 A C 0.527 178.082 177.584 -0.049 0.000 1.065 343 A CA -0.106 51.892 52.037 -0.065 0.000 0.764 343 A CB -0.489 18.483 19.000 -0.046 0.000 1.002 343 A HN 0.694 nan 8.150 nan 0.000 0.502 344 M N 1.537 121.115 119.600 -0.036 0.000 2.478 344 M HA 0.611 5.096 4.480 0.009 0.000 0.327 344 M C 0.306 176.595 176.300 -0.019 0.000 1.187 344 M CA -0.228 55.057 55.300 -0.025 0.000 1.022 344 M CB 1.281 33.870 32.600 -0.019 0.000 1.629 344 M HN 0.739 nan 8.290 nan 0.000 0.461 345 T N -0.938 113.606 114.554 -0.016 0.000 2.860 345 T HA 0.246 4.602 4.350 0.009 0.000 0.299 345 T C 0.878 175.572 174.700 -0.011 0.000 1.045 345 T CA -0.417 61.676 62.100 -0.013 0.000 1.071 345 T CB 1.179 70.040 68.868 -0.011 0.000 0.985 345 T HN 0.977 nan 8.240 nan 0.000 0.537 346 R N 0.511 121.005 120.500 -0.010 0.000 2.091 346 R HA -0.134 4.211 4.340 0.009 0.000 0.238 346 R C 1.376 177.672 176.300 -0.008 0.000 1.136 346 R CA 2.029 58.123 56.100 -0.010 0.000 0.959 346 R CB -0.493 29.801 30.300 -0.009 0.000 0.856 346 R HN 0.737 nan 8.270 nan 0.000 0.437 347 D N 0.387 120.784 120.400 -0.006 0.000 2.178 347 D HA -0.125 4.520 4.640 0.009 0.000 0.202 347 D C 1.313 177.612 176.300 -0.002 0.000 0.974 347 D CA 1.081 55.079 54.000 -0.003 0.000 0.841 347 D CB -0.283 40.516 40.800 -0.003 0.000 0.953 347 D HN 0.265 nan 8.370 nan 0.000 0.478 348 D N 0.363 120.761 120.400 -0.004 0.000 2.097 348 D HA -0.065 4.580 4.640 0.009 0.000 0.197 348 D C 2.038 178.337 176.300 -0.001 0.000 0.984 348 D CA 1.285 55.284 54.000 -0.002 0.000 0.826 348 D CB -0.276 40.521 40.800 -0.006 0.000 0.973 348 D HN 0.130 nan 8.370 nan 0.000 0.460 349 A N 0.608 123.425 122.820 -0.004 0.000 1.902 349 A HA -0.098 4.227 4.320 0.009 0.000 0.217 349 A C 2.387 179.966 177.584 -0.008 0.000 1.181 349 A CA 0.850 52.883 52.037 -0.007 0.000 0.623 349 A CB -0.759 18.234 19.000 -0.012 0.000 0.818 349 A HN 0.205 nan 8.150 nan 0.000 0.443 350 L N -0.856 120.362 121.223 -0.007 0.000 2.141 350 L HA -0.185 4.160 4.340 0.009 0.000 0.209 350 L C 2.608 179.485 176.870 0.012 0.000 1.094 350 L CA 1.667 56.505 54.840 -0.004 0.000 0.763 350 L CB -0.439 41.619 42.059 -0.003 0.000 0.908 350 L HN 0.621 nan 8.230 nan 0.000 0.437 351 E N 0.721 120.929 120.200 0.012 0.000 2.077 351 E HA -0.230 4.125 4.350 0.009 0.000 0.193 351 E C 2.333 178.950 176.600 0.028 0.000 0.989 351 E CA 1.089 57.501 56.400 0.019 0.000 0.800 351 E CB -0.011 29.696 29.700 0.013 0.000 0.746 351 E HN 0.456 nan 8.360 nan 0.000 0.452 352 L N 0.470 121.708 121.223 0.024 0.000 2.046 352 L HA -0.196 4.149 4.340 0.009 0.000 0.208 352 L C 2.602 179.508 176.870 0.059 0.000 1.077 352 L CA 0.820 55.681 54.840 0.034 0.000 0.747 352 L CB -0.425 41.648 42.059 0.023 0.000 0.896 352 L HN 0.275 nan 8.230 nan 0.000 0.432 353 L N -0.721 120.532 121.223 0.051 0.000 2.017 353 L HA -0.206 4.139 4.340 0.009 0.000 0.208 353 L C 2.899 179.882 176.870 0.188 0.000 1.073 353 L CA 1.219 56.120 54.840 0.102 0.000 0.745 353 L CB -0.494 41.553 42.059 -0.019 0.000 0.894 353 L HN 0.206 nan 8.230 nan 0.000 0.432 354 R N 0.012 120.578 120.500 0.109 0.000 2.103 354 R HA -0.195 4.150 4.340 0.009 0.000 0.242 354 R C 1.906 178.250 176.300 0.073 0.000 1.142 354 R CA 1.879 58.033 56.100 0.090 0.000 0.960 354 R CB -0.346 29.986 30.300 0.053 0.000 0.858 354 R HN 0.381 nan 8.270 nan 0.000 0.439 355 D N -0.024 120.413 120.400 0.063 0.000 2.178 355 D HA -0.105 4.540 4.640 0.009 0.000 0.201 355 D C 1.570 177.902 176.300 0.053 0.000 0.980 355 D CA 1.308 55.336 54.000 0.046 0.000 0.842 355 D CB -0.136 40.687 40.800 0.038 0.000 0.948 355 D HN 0.261 nan 8.370 nan 0.000 0.472 356 A N -0.479 122.399 122.820 0.096 0.000 2.119 356 A HA 0.303 4.628 4.320 0.009 0.000 0.217 356 A C 1.825 179.417 177.584 0.014 0.000 1.153 356 A CA 1.612 53.712 52.037 0.106 0.000 0.692 356 A CB -0.070 19.069 19.000 0.233 0.000 0.799 356 A HN 0.312 nan 8.150 nan 0.000 0.458 357 G N -3.301 105.503 108.800 0.006 0.000 2.205 357 G HA2 -0.171 3.795 3.960 0.009 0.000 0.180 357 G HA3 -0.171 3.795 3.960 0.009 0.000 0.180 357 G C -0.122 174.681 174.900 -0.163 0.000 1.004 357 G CA -0.160 44.877 45.100 -0.106 0.000 0.670 357 G HN 0.331 nan 8.290 nan 0.000 0.496 358 Y N 0.716 121.017 120.300 0.001 0.000 2.319 358 Y HA 0.492 5.047 4.550 0.009 0.000 0.328 358 Y C 0.927 176.827 175.900 0.000 0.000 1.133 358 Y CA -0.011 58.089 58.100 0.001 0.000 1.265 358 Y CB 1.593 40.053 38.460 0.001 0.000 1.218 358 Y HN 0.479 nan 8.280 nan 0.000 0.508 359 V N -0.883 119.115 119.914 0.139 0.000 3.040 359 V HA 0.642 4.767 4.120 0.009 0.000 0.312 359 V C -0.253 175.886 176.094 0.075 0.000 1.115 359 V CA -1.154 61.194 62.300 0.080 0.000 0.998 359 V CB 1.789 33.634 31.823 0.037 0.000 1.042 359 V HN 0.658 nan 8.190 nan 0.000 0.433 360 S N 1.922 117.651 115.700 0.050 0.000 2.580 360 S HA 0.532 5.007 4.470 0.009 0.000 0.274 360 S C -0.243 174.374 174.600 0.028 0.000 1.329 360 S CA -0.287 57.935 58.200 0.037 0.000 1.036 360 S CB 0.463 63.678 63.200 0.025 0.000 0.919 360 S HN 0.969 nan 8.310 nan 0.000 0.515 361 E N 2.189 122.404 120.200 0.025 0.000 2.347 361 E HA 0.338 4.693 4.350 0.009 0.000 0.285 361 E C -2.974 173.635 176.600 0.015 0.000 0.925 361 E CA -2.075 54.336 56.400 0.019 0.000 0.779 361 E CB 1.589 31.302 29.700 0.021 0.000 1.233 361 E HN 0.229 nan 8.360 nan 0.000 0.414 380 E N 4.077 124.280 120.200 0.005 0.000 2.200 380 E HA 0.193 4.549 4.350 0.009 0.000 0.283 380 E C -0.192 176.414 176.600 0.010 0.000 1.015 380 E CA -0.642 55.763 56.400 0.009 0.000 0.819 380 E CB 1.284 30.991 29.700 0.011 0.000 1.081 380 E HN 0.441 nan 8.360 nan 0.000 0.397 381 R N 2.704 123.213 120.500 0.014 0.000 2.528 381 R HA 0.442 4.787 4.340 0.009 0.000 0.271 381 R C -0.199 176.119 176.300 0.031 0.000 1.056 381 R CA -0.562 55.548 56.100 0.017 0.000 1.117 381 R CB 0.689 30.999 30.300 0.017 0.000 1.085 381 R HN 0.381 nan 8.270 nan 0.000 0.530 382 I N 2.628 123.220 120.570 0.037 0.000 2.331 382 I HA 0.231 4.406 4.170 0.009 0.000 0.292 382 I C -0.117 176.084 176.117 0.139 0.000 0.998 382 I CA -0.807 60.539 61.300 0.075 0.000 1.267 382 I CB 1.672 39.691 38.000 0.031 0.000 1.386 382 I HN 0.534 nan 8.210 nan 0.000 0.476 383 V N 3.263 123.283 119.914 0.175 0.000 3.040 383 V HA 0.633 4.758 4.120 0.009 0.000 0.312 383 V C -0.806 175.354 176.094 0.109 0.000 1.115 383 V CA -0.954 61.441 62.300 0.158 0.000 0.998 383 V CB 2.052 33.914 31.823 0.065 0.000 1.042 383 V HN 0.743 nan 8.190 nan 0.000 0.433 384 K N 1.486 121.857 120.400 -0.048 0.000 2.579 384 K HA 0.373 4.698 4.320 0.009 0.000 0.250 384 K C -0.739 175.767 176.600 -0.156 0.000 0.952 384 K CA -0.321 55.792 56.287 -0.290 0.000 0.857 384 K CB 0.975 32.989 32.500 -0.810 0.000 1.123 384 K HN 0.945 nan 8.250 nan 0.000 0.433 385 D N 3.741 124.073 120.400 -0.114 0.000 2.689 385 D HA -0.209 4.436 4.640 0.009 0.000 0.237 385 D C 0.697 176.972 176.300 -0.041 0.000 1.148 385 D CA 1.829 55.788 54.000 -0.070 0.000 0.656 385 D CB -0.886 39.869 40.800 -0.074 0.000 1.050 385 D HN 1.124 nan 8.370 nan 0.000 0.426 386 G N -2.076 106.708 108.800 -0.026 0.000 2.284 386 G HA2 -0.365 3.600 3.960 0.009 0.000 0.247 386 G HA3 -0.365 3.600 3.960 0.009 0.000 0.247 386 G C 0.448 175.350 174.900 0.003 0.000 1.012 386 G CA 0.219 45.314 45.100 -0.008 0.000 0.618 386 G HN 0.628 nan 8.290 nan 0.000 0.521 387 V N 3.152 123.065 119.914 -0.001 0.000 2.408 387 V HA 0.438 4.563 4.120 0.009 0.000 0.267 387 V C -1.615 174.517 176.094 0.064 0.000 1.047 387 V CA -1.393 60.920 62.300 0.020 0.000 0.937 387 V CB 1.145 32.974 31.823 0.010 0.000 0.999 387 V HN 0.168 nan 8.190 nan 0.000 0.472 388 P HA 0.131 nan 4.420 nan 0.000 0.271 388 P C -0.481 176.889 177.300 0.116 0.000 1.216 388 P CA -0.471 62.681 63.100 0.088 0.000 0.776 388 P CB 0.580 32.309 31.700 0.048 0.000 0.881 389 L N 4.352 125.655 121.223 0.134 0.000 2.325 389 L HA 0.306 4.651 4.340 0.009 0.000 0.284 389 L C -0.008 176.866 176.870 0.007 0.000 1.089 389 L CA 0.525 55.409 54.840 0.074 0.000 0.836 389 L CB -0.585 41.408 42.059 -0.109 0.000 1.184 389 L HN 0.406 nan 8.230 nan 0.000 0.444 390 T N 3.804 118.367 114.554 0.014 0.000 2.823 390 T HA 0.667 5.022 4.350 0.009 0.000 0.279 390 T C -0.316 174.376 174.700 -0.015 0.000 0.998 390 T CA -0.773 61.325 62.100 -0.003 0.000 0.994 390 T CB 1.378 70.249 68.868 0.005 0.000 0.960 390 T HN 0.341 nan 8.240 nan 0.000 0.448 391 I N 3.793 124.348 120.570 -0.025 0.000 2.411 391 I HA 0.288 4.464 4.170 0.009 0.000 0.284 391 I C -0.388 175.712 176.117 -0.029 0.000 1.012 391 I CA -1.084 60.198 61.300 -0.030 0.000 1.119 391 I CB 1.567 39.544 38.000 -0.040 0.000 1.261 391 I HN 0.541 nan 8.210 nan 0.000 0.448 392 V N 7.323 127.220 119.914 -0.028 0.000 2.368 392 V HA 0.281 4.406 4.120 0.009 0.000 0.266 392 V C 0.191 176.259 176.094 -0.042 0.000 1.045 392 V CA -0.532 61.749 62.300 -0.033 0.000 0.899 392 V CB 1.270 33.075 31.823 -0.030 0.000 1.006 392 V HN 0.381 nan 8.190 nan 0.000 0.470 393 L N 5.251 126.447 121.223 -0.046 0.000 2.261 393 L HA 0.579 4.924 4.340 0.009 0.000 0.289 393 L C 1.012 177.842 176.870 -0.068 0.000 1.059 393 L CA 0.539 55.346 54.840 -0.056 0.000 0.816 393 L CB 0.976 43.003 42.059 -0.053 0.000 1.191 393 L HN 0.704 nan 8.230 nan 0.000 0.431 394 G N 2.548 111.296 108.800 -0.086 0.000 2.372 394 G HA2 0.543 4.508 3.960 0.009 0.000 0.283 394 G HA3 0.543 4.508 3.960 0.009 0.000 0.283 394 G C -1.132 173.693 174.900 -0.126 0.000 1.177 394 G CA -0.259 44.775 45.100 -0.111 0.000 0.842 394 G HN 0.446 nan 8.290 nan 0.000 0.503 395 V N 1.277 121.121 119.914 -0.117 0.000 3.147 395 V HA 0.723 4.848 4.120 0.009 0.000 0.299 395 V C -0.313 175.732 176.094 -0.082 0.000 1.302 395 V CA -0.508 61.731 62.300 -0.101 0.000 1.015 395 V CB 2.006 33.785 31.823 -0.074 0.000 1.086 395 V HN 1.365 nan 8.190 nan 0.000 0.437 396 A N 3.208 125.997 122.820 -0.053 0.000 2.396 396 A HA 0.495 4.820 4.320 0.009 0.000 0.279 396 A C 1.290 178.871 177.584 -0.006 0.000 1.165 396 A CA 0.462 52.487 52.037 -0.020 0.000 0.824 396 A CB 0.505 19.521 19.000 0.027 0.000 1.100 396 A HN 1.863 nan 8.150 nan 0.000 0.516 397 S N 2.535 118.228 115.700 -0.012 0.000 2.537 397 S HA -0.167 4.308 4.470 0.009 0.000 0.240 397 S C 1.396 175.997 174.600 0.003 0.000 0.981 397 S CA 1.316 59.512 58.200 -0.007 0.000 0.948 397 S CB -0.343 62.851 63.200 -0.009 0.000 0.759 397 S HN 0.758 nan 8.310 nan 0.000 0.531 398 N N 2.284 120.989 118.700 0.008 0.000 2.381 398 N HA -0.045 4.700 4.740 0.009 0.000 0.182 398 N C -0.398 175.123 175.510 0.018 0.000 1.025 398 N CA 0.964 54.020 53.050 0.010 0.000 0.888 398 N CB -0.276 38.218 38.487 0.012 0.000 0.965 398 N HN 0.541 nan 8.380 nan 0.000 0.438 399 D N -0.754 119.668 120.400 0.036 0.000 2.438 399 D HA 0.305 4.950 4.640 0.009 0.000 0.257 399 D C -2.079 174.252 176.300 0.051 0.000 1.148 399 D CA -2.217 51.823 54.000 0.066 0.000 0.902 399 D CB 1.419 42.305 40.800 0.143 0.000 1.062 399 D HN -0.051 nan 8.370 nan 0.000 0.518 400 P HA -0.105 nan 4.420 nan 0.000 0.218 400 P C 1.125 178.438 177.300 0.022 0.000 1.146 400 P CA 1.100 64.211 63.100 0.019 0.000 0.813 400 P CB 0.408 32.114 31.700 0.011 0.000 0.778 401 T N -1.437 113.147 114.554 0.051 0.000 2.770 401 T HA -0.068 4.287 4.350 0.009 0.000 0.263 401 T C 1.956 176.666 174.700 0.016 0.000 1.039 401 T CA 1.556 63.689 62.100 0.056 0.000 1.142 401 T CB -0.822 68.131 68.868 0.141 0.000 0.868 401 T HN 0.078 nan 8.240 nan 0.000 0.435 402 S N 0.883 116.593 115.700 0.017 0.000 2.423 402 S HA -0.040 4.435 4.470 0.009 0.000 0.231 402 S C 2.274 176.838 174.600 -0.060 0.000 1.014 402 S CA 0.457 58.609 58.200 -0.079 0.000 0.965 402 S CB -0.380 62.764 63.200 -0.093 0.000 0.785 402 S HN 0.240 nan 8.310 nan 0.000 0.495 403 V N 1.962 121.860 119.914 -0.026 0.000 2.307 403 V HA -0.181 3.944 4.120 0.009 0.000 0.245 403 V C 2.668 178.744 176.094 -0.029 0.000 1.045 403 V CA 1.699 63.983 62.300 -0.027 0.000 1.024 403 V CB -1.201 30.614 31.823 -0.014 0.000 0.651 403 V HN 0.532 nan 8.190 nan 0.000 0.449 404 A N -0.229 122.578 122.820 -0.022 0.000 1.908 404 A HA -0.174 4.151 4.320 0.009 0.000 0.218 404 A C 2.396 179.962 177.584 -0.031 0.000 1.181 404 A CA 2.210 54.235 52.037 -0.021 0.000 0.627 404 A CB -0.710 18.282 19.000 -0.012 0.000 0.818 404 A HN 0.336 nan 8.150 nan 0.000 0.445 405 V N -0.251 119.635 119.914 -0.046 0.000 2.307 405 V HA -0.221 3.904 4.120 0.009 0.000 0.245 405 V C 3.071 179.129 176.094 -0.059 0.000 1.045 405 V CA 1.861 64.125 62.300 -0.061 0.000 1.024 405 V CB -1.256 30.507 31.823 -0.099 0.000 0.651 405 V HN 0.626 nan 8.190 nan 0.000 0.449 406 A N 0.321 123.103 122.820 -0.064 0.000 1.883 406 A HA -0.276 4.049 4.320 0.009 0.000 0.217 406 A C 2.109 179.667 177.584 -0.044 0.000 1.186 406 A CA 2.187 54.189 52.037 -0.058 0.000 0.624 406 A CB -0.758 18.205 19.000 -0.061 0.000 0.822 406 A HN 0.602 nan 8.150 nan 0.000 0.444 407 N N -0.554 118.124 118.700 -0.037 0.000 2.166 407 N HA -0.118 4.627 4.740 0.009 0.000 0.186 407 N C 1.731 177.225 175.510 -0.026 0.000 1.019 407 N CA 1.959 54.992 53.050 -0.028 0.000 0.856 407 N CB -0.477 37.996 38.487 -0.023 0.000 0.993 407 N HN 0.529 nan 8.380 nan 0.000 0.426 408 T N 1.131 115.669 114.554 -0.027 0.000 2.777 408 T HA -0.005 4.350 4.350 0.009 0.000 0.266 408 T C 2.045 176.730 174.700 -0.024 0.000 1.040 408 T CA 1.136 63.222 62.100 -0.023 0.000 1.141 408 T CB -0.253 68.602 68.868 -0.021 0.000 0.868 408 T HN 0.306 nan 8.240 nan 0.000 0.444 409 A N 1.621 124.423 122.820 -0.030 0.000 1.908 409 A HA 0.059 4.384 4.320 0.009 0.000 0.218 409 A C 2.638 180.204 177.584 -0.029 0.000 1.181 409 A CA 1.982 54.001 52.037 -0.030 0.000 0.627 409 A CB -1.144 17.833 19.000 -0.037 0.000 0.818 409 A HN 0.512 nan 8.150 nan 0.000 0.445 410 A N -0.089 122.713 122.820 -0.030 0.000 1.902 410 A HA -0.177 4.148 4.320 0.009 0.000 0.217 410 A C 1.777 179.347 177.584 -0.024 0.000 1.181 410 A CA 1.887 53.907 52.037 -0.028 0.000 0.623 410 A CB -0.661 18.322 19.000 -0.028 0.000 0.818 410 A HN 0.458 nan 8.150 nan 0.000 0.443 411 D N -0.231 120.156 120.400 -0.021 0.000 2.116 411 D HA -0.196 4.449 4.640 0.009 0.000 0.193 411 D C 2.177 178.466 176.300 -0.018 0.000 0.998 411 D CA 1.693 55.682 54.000 -0.018 0.000 0.836 411 D CB -0.443 40.348 40.800 -0.015 0.000 0.951 411 D HN 0.618 nan 8.370 nan 0.000 0.449 412 Q N -0.302 119.486 119.800 -0.019 0.000 2.124 412 Q HA -0.062 4.283 4.340 0.009 0.000 0.202 412 Q C 2.546 178.533 176.000 -0.023 0.000 0.977 412 Q CA 0.655 56.447 55.803 -0.019 0.000 0.850 412 Q CB -0.046 28.682 28.738 -0.018 0.000 0.901 412 Q HN 0.348 nan 8.270 nan 0.000 0.429 413 L N 0.072 121.279 121.223 -0.027 0.000 2.072 413 L HA -0.142 4.203 4.340 0.009 0.000 0.205 413 L C 2.385 179.236 176.870 -0.032 0.000 1.079 413 L CA 0.994 55.814 54.840 -0.034 0.000 0.752 413 L CB -0.343 41.692 42.059 -0.040 0.000 0.906 413 L HN 0.141 nan 8.230 nan 0.000 0.436 414 R N -0.099 120.386 120.500 -0.025 0.000 2.193 414 R HA -0.144 4.201 4.340 0.009 0.000 0.229 414 R C 1.914 178.204 176.300 -0.017 0.000 1.110 414 R CA 1.028 57.116 56.100 -0.020 0.000 0.988 414 R CB -0.607 29.683 30.300 -0.017 0.000 0.871 414 R HN 0.489 nan 8.270 nan 0.000 0.458 415 N N 1.399 120.089 118.700 -0.017 0.000 2.381 415 N HA -0.105 4.640 4.740 0.009 0.000 0.182 415 N C 1.317 176.819 175.510 -0.014 0.000 1.025 415 N CA 1.362 54.404 53.050 -0.013 0.000 0.888 415 N CB 0.399 38.879 38.487 -0.013 0.000 0.965 415 N HN 0.152 nan 8.380 nan 0.000 0.438 416 V N -4.256 115.647 119.914 -0.018 0.000 3.483 416 V HA 0.528 4.653 4.120 0.009 0.000 0.301 416 V C 1.022 177.104 176.094 -0.019 0.000 1.389 416 V CA 0.300 62.589 62.300 -0.018 0.000 1.101 416 V CB 0.199 32.007 31.823 -0.024 0.000 0.971 416 V HN 0.192 nan 8.190 nan 0.000 0.434 417 G N 0.955 109.745 108.800 -0.018 0.000 2.179 417 G HA2 -0.196 3.769 3.960 0.009 0.000 0.220 417 G HA3 -0.196 3.769 3.960 0.009 0.000 0.220 417 G C -0.092 174.797 174.900 -0.018 0.000 0.990 417 G CA 0.026 45.118 45.100 -0.012 0.000 0.646 417 G HN 0.564 nan 8.290 nan 0.000 0.517 418 I N 1.585 122.134 120.570 -0.035 0.000 2.416 418 I HA 0.198 4.373 4.170 0.009 0.000 0.288 418 I C 0.375 176.474 176.117 -0.030 0.000 1.051 418 I CA -0.369 60.903 61.300 -0.047 0.000 1.375 418 I CB 0.987 38.942 38.000 -0.075 0.000 1.407 418 I HN 0.006 nan 8.210 nan 0.000 0.516 419 D N 6.815 127.202 120.400 -0.021 0.000 2.600 419 D HA 0.218 4.863 4.640 0.009 0.000 0.226 419 D C -0.044 176.244 176.300 -0.020 0.000 1.119 419 D CA -0.020 53.972 54.000 -0.014 0.000 1.051 419 D CB 0.054 40.852 40.800 -0.003 0.000 1.106 419 D HN 0.537 nan 8.370 nan 0.000 0.491 420 A N 1.954 124.759 122.820 -0.024 0.000 2.309 420 A HA 0.612 4.937 4.320 0.009 0.000 0.298 420 A C 0.245 177.815 177.584 -0.024 0.000 1.165 420 A CA -0.476 51.545 52.037 -0.027 0.000 0.821 420 A CB 0.660 19.641 19.000 -0.032 0.000 1.102 420 A HN 0.470 nan 8.150 nan 0.000 0.500 421 S N 0.544 116.229 115.700 -0.025 0.000 2.661 421 S HA 0.763 5.238 4.470 0.009 0.000 0.285 421 S C -0.975 173.607 174.600 -0.030 0.000 1.138 421 S CA -0.703 57.483 58.200 -0.024 0.000 0.855 421 S CB 1.481 64.669 63.200 -0.021 0.000 1.136 421 S HN 0.840 nan 8.310 nan 0.000 0.484 422 V N 1.815 121.711 119.914 -0.029 0.000 2.409 422 V HA 0.527 4.652 4.120 0.009 0.000 0.291 422 V C -1.050 175.023 176.094 -0.035 0.000 1.020 422 V CA -0.610 61.669 62.300 -0.035 0.000 0.848 422 V CB 1.170 32.972 31.823 -0.034 0.000 0.990 422 V HN 0.822 nan 8.190 nan 0.000 0.430 423 L N 5.574 126.772 121.223 -0.042 0.000 2.264 423 L HA 0.779 5.124 4.340 0.009 0.000 0.287 423 L C 0.440 177.281 176.870 -0.048 0.000 1.039 423 L CA -0.258 54.556 54.840 -0.042 0.000 0.829 423 L CB 0.807 42.839 42.059 -0.044 0.000 1.211 423 L HN 0.727 nan 8.230 nan 0.000 0.427 424 A N 6.682 129.478 122.820 -0.039 0.000 2.309 424 A HA 0.697 5.022 4.320 0.009 0.000 0.290 424 A C -0.683 176.879 177.584 -0.036 0.000 1.206 424 A CA -0.319 51.696 52.037 -0.038 0.000 0.850 424 A CB 0.025 19.009 19.000 -0.027 0.000 1.118 424 A HN 0.746 nan 8.150 nan 0.000 0.523 425 L N 1.105 122.301 121.223 -0.045 0.000 2.283 425 L HA 0.405 4.750 4.340 0.009 0.000 0.259 425 L C -0.089 176.763 176.870 -0.029 0.000 1.027 425 L CA -1.097 53.718 54.840 -0.041 0.000 0.828 425 L CB 1.834 43.857 42.059 -0.061 0.000 1.380 425 L HN 0.799 nan 8.230 nan 0.000 0.425 426 D N 0.856 121.245 120.400 -0.019 0.000 2.488 426 D HA 0.027 4.672 4.640 0.009 0.000 0.238 426 D C -1.776 174.524 176.300 0.000 0.000 1.138 426 D CA -0.754 53.243 54.000 -0.004 0.000 0.873 426 D CB 1.175 41.975 40.800 0.001 0.000 1.183 426 D HN 0.170 nan 8.370 nan 0.000 0.458 427 P HA -0.129 nan 4.420 nan 0.000 0.218 427 P C 1.281 178.652 177.300 0.118 0.000 1.149 427 P CA 0.428 63.569 63.100 0.070 0.000 0.817 427 P CB 0.196 31.943 31.700 0.079 0.000 0.785 428 V N 0.504 120.465 119.914 0.079 0.000 2.270 428 V HA -0.220 3.905 4.120 0.009 0.000 0.245 428 V C 2.548 178.682 176.094 0.066 0.000 1.043 428 V CA 2.231 64.582 62.300 0.085 0.000 1.014 428 V CB -1.788 30.068 31.823 0.054 0.000 0.645 428 V HN 0.092 nan 8.190 nan 0.000 0.447 429 A N -0.084 122.751 122.820 0.025 0.000 1.940 429 A HA -0.220 4.105 4.320 0.009 0.000 0.219 429 A C 2.171 179.734 177.584 -0.036 0.000 1.176 429 A CA 2.130 54.166 52.037 -0.002 0.000 0.631 429 A CB -0.608 18.384 19.000 -0.013 0.000 0.814 429 A HN 0.464 nan 8.150 nan 0.000 0.446 430 L N -1.651 119.526 121.223 -0.078 0.000 2.042 430 L HA -0.144 4.201 4.340 0.009 0.000 0.210 430 L C 2.029 178.707 176.870 -0.320 0.000 1.076 430 L CA 2.002 56.700 54.840 -0.238 0.000 0.749 430 L CB -0.636 41.206 42.059 -0.363 0.000 0.893 430 L HN 0.489 nan 8.230 nan 0.000 0.432 431 Y N -1.446 118.846 120.300 -0.012 0.000 2.462 431 Y HA 0.294 4.848 4.550 0.008 0.000 0.261 431 Y C 1.875 177.765 175.900 -0.017 0.000 1.146 431 Y CA 0.188 58.279 58.100 -0.015 0.000 1.283 431 Y CB 0.108 38.562 38.460 -0.011 0.000 1.090 431 Y HN 0.230 nan 8.280 nan 0.000 0.526 432 G N -0.355 108.500 108.800 0.093 0.000 2.529 432 G HA2 -0.112 3.853 3.960 0.009 0.000 0.220 432 G HA3 -0.112 3.853 3.960 0.009 0.000 0.220 432 G C 0.671 175.581 174.900 0.015 0.000 1.976 432 G CA 0.574 45.704 45.100 0.050 0.000 0.789 432 G HN 0.203 nan 8.290 nan 0.000 0.695 433 D N 0.826 121.228 120.400 0.005 0.000 2.149 433 D HA -0.092 4.553 4.640 0.009 0.000 0.194 433 D C 2.514 178.803 176.300 -0.017 0.000 1.001 433 D CA 1.957 55.953 54.000 -0.006 0.000 0.849 433 D CB -0.297 40.498 40.800 -0.007 0.000 0.939 433 D HN 0.248 nan 8.370 nan 0.000 0.449 434 A N -0.444 122.356 122.820 -0.032 0.000 2.015 434 A HA -0.021 4.304 4.320 0.009 0.000 0.219 434 A C 2.371 179.929 177.584 -0.042 0.000 1.163 434 A CA 1.000 53.008 52.037 -0.048 0.000 0.646 434 A CB -0.462 18.488 19.000 -0.083 0.000 0.806 434 A HN 0.389 nan 8.150 nan 0.000 0.448 435 L N -0.446 120.759 121.223 -0.030 0.000 2.145 435 L HA -0.046 4.299 4.340 0.009 0.000 0.201 435 L C 2.614 179.479 176.870 -0.009 0.000 1.075 435 L CA 1.126 55.956 54.840 -0.018 0.000 0.773 435 L CB -0.739 41.321 42.059 0.003 0.000 0.936 435 L HN 0.356 nan 8.230 nan 0.000 0.451 436 V N -2.734 117.178 119.914 -0.005 0.000 2.490 436 V HA -0.121 4.004 4.120 0.009 0.000 0.250 436 V C 1.632 177.722 176.094 -0.007 0.000 1.061 436 V CA 1.722 64.019 62.300 -0.005 0.000 1.064 436 V CB -0.736 31.085 31.823 -0.004 0.000 0.670 436 V HN 0.433 nan 8.190 nan 0.000 0.461 437 N N 0.524 119.218 118.700 -0.010 0.000 2.336 437 N HA 0.081 4.826 4.740 0.009 0.000 0.189 437 N C 0.234 175.737 175.510 -0.012 0.000 1.113 437 N CA 0.436 53.480 53.050 -0.010 0.000 0.858 437 N CB -0.392 38.089 38.487 -0.011 0.000 0.970 437 N HN 0.596 nan 8.380 nan 0.000 0.471 438 N N 0.858 119.549 118.700 -0.014 0.000 2.725 438 N HA -0.205 4.540 4.740 0.009 0.000 0.251 438 N C 0.565 176.064 175.510 -0.019 0.000 1.031 438 N CA 0.364 53.405 53.050 -0.015 0.000 0.720 438 N CB -0.731 37.751 38.487 -0.009 0.000 0.930 438 N HN 0.451 nan 8.380 nan 0.000 0.543 439 R N -0.398 120.087 120.500 -0.025 0.000 2.193 439 R HA 0.012 4.357 4.340 0.009 0.000 0.213 439 R C 1.102 177.382 176.300 -0.033 0.000 1.055 439 R CA 1.045 57.129 56.100 -0.027 0.000 0.995 439 R CB 0.328 30.610 30.300 -0.031 0.000 0.893 439 R HN 0.293 nan 8.270 nan 0.000 0.459 440 V N -2.758 117.132 119.914 -0.040 0.000 2.914 440 V HA 0.348 4.473 4.120 0.009 0.000 0.314 440 V C -0.288 175.783 176.094 -0.038 0.000 1.084 440 V CA -0.941 61.331 62.300 -0.047 0.000 0.963 440 V CB 2.429 34.210 31.823 -0.070 0.000 1.025 440 V HN -0.110 nan 8.190 nan 0.000 0.432 441 D N 1.561 121.939 120.400 -0.036 0.000 2.379 441 D HA 0.548 5.193 4.640 0.009 0.000 0.208 441 D C 0.525 176.805 176.300 -0.032 0.000 1.065 441 D CA 1.243 55.227 54.000 -0.027 0.000 0.848 441 D CB 1.546 42.334 40.800 -0.021 0.000 0.949 441 D HN 1.018 nan 8.370 nan 0.000 0.509 442 A N -0.036 122.757 122.820 -0.045 0.000 2.601 442 A HA 0.570 4.895 4.320 0.009 0.000 0.291 442 A C -1.646 175.894 177.584 -0.073 0.000 1.075 442 A CA -0.545 51.462 52.037 -0.050 0.000 0.671 442 A CB 1.536 20.509 19.000 -0.045 0.000 1.277 442 A HN -0.107 nan 8.150 nan 0.000 0.417 443 V N 0.738 120.607 119.914 -0.075 0.000 2.577 443 V HA 0.535 4.660 4.120 0.009 0.000 0.303 443 V C -0.740 175.301 176.094 -0.088 0.000 1.042 443 V CA -0.562 61.677 62.300 -0.102 0.000 0.872 443 V CB 1.692 33.447 31.823 -0.114 0.000 0.998 443 V HN 0.785 nan 8.190 nan 0.000 0.423 444 V N 4.150 124.000 119.914 -0.106 0.000 2.370 444 V HA 0.986 5.111 4.120 0.009 0.000 0.283 444 V C 0.614 176.628 176.094 -0.133 0.000 1.023 444 V CA 0.431 62.656 62.300 -0.125 0.000 0.857 444 V CB 1.120 32.865 31.823 -0.129 0.000 0.985 444 V HN 1.117 nan 8.190 nan 0.000 0.443 445 G N 3.392 112.092 108.800 -0.166 0.000 2.488 445 G HA2 0.471 4.436 3.960 0.009 0.000 0.301 445 G HA3 0.471 4.436 3.960 0.009 0.000 0.301 445 G C -2.262 172.507 174.900 -0.218 0.000 1.339 445 G CA -0.806 44.215 45.100 -0.131 0.000 0.803 445 G HN 0.483 nan 8.290 nan 0.000 0.482 446 W N 0.463 121.789 121.300 0.043 0.000 2.449 446 W HA 0.775 5.438 4.660 0.006 0.000 0.331 446 W C 0.591 177.117 176.519 0.012 0.000 1.119 446 W CA -0.590 56.767 57.345 0.020 0.000 1.240 446 W CB 1.431 30.894 29.460 0.006 0.000 1.251 446 W HN 0.120 nan 8.180 nan 0.000 0.576 447 R N 1.430 122.094 120.500 0.272 0.000 2.803 447 R HA 0.252 4.597 4.340 0.009 0.000 0.276 447 R C -0.563 175.829 176.300 0.153 0.000 0.978 447 R CA -1.382 54.808 56.100 0.149 0.000 0.939 447 R CB 1.909 32.259 30.300 0.082 0.000 1.179 447 R HN 0.576 nan 8.270 nan 0.000 0.472 448 Q N 0.963 120.821 119.800 0.096 0.000 2.330 448 Q HA 0.285 4.630 4.340 0.009 0.000 0.279 448 Q C -1.055 175.000 176.000 0.092 0.000 1.024 448 Q CA 0.131 55.983 55.803 0.082 0.000 0.900 448 Q CB 0.860 29.640 28.738 0.070 0.000 1.221 448 Q HN 0.667 nan 8.270 nan 0.000 0.396 449 A N 2.490 125.360 122.820 0.085 0.000 2.342 449 A HA 0.670 4.995 4.320 0.009 0.000 0.323 449 A C 0.490 178.122 177.584 0.081 0.000 1.125 449 A CA 0.154 52.239 52.037 0.080 0.000 0.785 449 A CB 1.126 20.167 19.000 0.069 0.000 1.221 449 A HN 1.142 nan 8.150 nan 0.000 0.463 450 G N 1.106 109.961 108.800 0.091 0.000 2.144 450 G HA2 0.125 4.091 3.960 0.009 0.000 0.218 450 G HA3 0.125 4.091 3.960 0.009 0.000 0.218 450 G C 0.644 175.647 174.900 0.173 0.000 0.988 450 G CA 0.292 45.457 45.100 0.109 0.000 0.659 450 G HN 1.771 nan 8.290 nan 0.000 0.522 451 G N -0.588 108.304 108.800 0.152 0.000 2.511 451 G HA2 0.531 4.496 3.960 0.009 0.000 0.316 451 G HA3 0.531 4.496 3.960 0.009 0.000 0.316 451 G C -0.302 174.666 174.900 0.113 0.000 1.210 451 G CA 0.169 45.361 45.100 0.153 0.000 0.969 451 G HN 0.441 nan 8.290 nan 0.000 0.492 452 D N -0.488 119.951 120.400 0.066 0.000 2.520 452 D HA -0.025 4.620 4.640 0.009 0.000 0.243 452 D C 1.688 178.024 176.300 0.059 0.000 1.160 452 D CA 0.056 54.075 54.000 0.033 0.000 0.877 452 D CB 0.480 41.261 40.800 -0.032 0.000 1.150 452 D HN 0.179 nan 8.370 nan 0.000 0.494 453 L N 3.801 125.059 121.223 0.059 0.000 2.083 453 L HA -0.143 4.202 4.340 0.009 0.000 0.209 453 L C 2.418 179.331 176.870 0.071 0.000 1.083 453 L CA 1.190 56.072 54.840 0.070 0.000 0.752 453 L CB -0.514 41.584 42.059 0.065 0.000 0.899 453 L HN 0.587 nan 8.230 nan 0.000 0.433 454 A N -0.335 122.519 122.820 0.057 0.000 1.930 454 A HA -0.166 4.159 4.320 0.009 0.000 0.217 454 A C 2.354 179.993 177.584 0.093 0.000 1.175 454 A CA 2.170 54.247 52.037 0.067 0.000 0.627 454 A CB -0.791 18.240 19.000 0.052 0.000 0.815 454 A HN 0.385 nan 8.150 nan 0.000 0.443 455 T N -0.518 114.100 114.554 0.106 0.000 2.867 455 T HA -0.068 4.287 4.350 0.009 0.000 0.268 455 T C 1.847 176.598 174.700 0.085 0.000 1.057 455 T CA 1.330 63.499 62.100 0.115 0.000 1.136 455 T CB -0.293 68.660 68.868 0.142 0.000 0.874 455 T HN 0.148 nan 8.240 nan 0.000 0.466 456 V N 1.556 121.523 119.914 0.088 0.000 2.295 456 V HA -0.104 4.021 4.120 0.009 0.000 0.246 456 V C 2.385 178.552 176.094 0.121 0.000 1.049 456 V CA 1.306 63.659 62.300 0.087 0.000 1.024 456 V CB -0.614 31.270 31.823 0.103 0.000 0.648 456 V HN 0.325 nan 8.190 nan 0.000 0.447 457 L N 0.684 122.003 121.223 0.160 0.000 2.046 457 L HA -0.070 4.275 4.340 0.009 0.000 0.208 457 L C 2.384 179.380 176.870 0.209 0.000 1.077 457 L CA 2.417 57.403 54.840 0.244 0.000 0.747 457 L CB -0.991 41.150 42.059 0.137 0.000 0.896 457 L HN 0.231 nan 8.230 nan 0.000 0.432 458 A N -1.658 121.230 122.820 0.113 0.000 1.872 458 A HA -0.136 4.189 4.320 0.009 0.000 0.214 458 A C 2.363 179.970 177.584 0.038 0.000 1.187 458 A CA 1.762 53.843 52.037 0.074 0.000 0.614 458 A CB -0.919 18.112 19.000 0.051 0.000 0.826 458 A HN 0.493 nan 8.150 nan 0.000 0.442 459 S N -0.425 115.285 115.700 0.016 0.000 2.382 459 S HA -0.131 4.344 4.470 0.009 0.000 0.228 459 S C 2.067 176.610 174.600 -0.095 0.000 1.027 459 S CA 1.540 59.725 58.200 -0.026 0.000 0.991 459 S CB -0.231 62.960 63.200 -0.016 0.000 0.823 459 S HN 0.606 nan 8.310 nan 0.000 0.469 460 R N -1.031 119.359 120.500 -0.183 0.000 2.156 460 R HA 0.153 4.498 4.340 0.009 0.000 0.207 460 R C 1.107 177.054 176.300 -0.589 0.000 1.040 460 R CA 0.853 56.665 56.100 -0.480 0.000 1.013 460 R CB 0.003 29.834 30.300 -0.781 0.000 0.931 460 R HN 0.469 nan 8.270 nan 0.000 0.465 461 Y N -0.753 119.536 120.300 -0.018 0.000 2.423 461 Y HA 0.320 4.875 4.550 0.009 0.000 0.257 461 Y C 1.289 177.181 175.900 -0.013 0.000 1.087 461 Y CA -0.505 57.581 58.100 -0.023 0.000 1.258 461 Y CB 0.450 38.889 38.460 -0.035 0.000 1.237 461 Y HN -0.021 nan 8.280 nan 0.000 0.517 462 G N -0.371 108.495 108.800 0.111 0.000 2.554 462 G HA2 0.070 4.035 3.960 0.009 0.000 0.238 462 G HA3 0.070 4.035 3.960 0.009 0.000 0.238 462 G C 0.646 175.572 174.900 0.043 0.000 1.259 462 G CA -0.154 44.988 45.100 0.070 0.000 0.843 462 G HN 0.421 nan 8.290 nan 0.000 0.582 463 c N 0.526 119.148 118.600 0.036 0.000 2.467 463 c HA 0.061 4.636 4.570 0.009 0.000 0.279 463 c C 2.789 176.888 174.090 0.016 0.000 1.347 463 c CA 0.311 56.655 56.329 0.025 0.000 1.748 463 c CB -0.820 41.704 42.510 0.023 0.000 1.977 463 c HN 0.914 nan 8.230 nan 0.000 0.501 464 R N 1.342 121.851 120.500 0.015 0.000 2.115 464 R HA -0.065 4.280 4.340 0.009 0.000 0.230 464 R C 1.897 178.199 176.300 0.004 0.000 1.111 464 R CA 1.431 57.536 56.100 0.009 0.000 0.976 464 R CB -0.242 30.063 30.300 0.009 0.000 0.870 464 R HN 0.483 nan 8.270 nan 0.000 0.445 465 A N 0.497 123.319 122.820 0.003 0.000 2.252 465 A HA 0.085 4.411 4.320 0.009 0.000 0.207 465 A C 0.470 178.047 177.584 -0.011 0.000 1.194 465 A CA 0.057 52.090 52.037 -0.007 0.000 0.809 465 A CB -0.114 18.878 19.000 -0.013 0.000 0.814 465 A HN 0.215 nan 8.150 nan 0.000 0.482 518 P HA 0.235 nan 4.420 nan 0.000 0.271 518 P C 0.972 178.255 177.300 -0.028 0.000 1.220 518 P CA 0.296 63.382 63.100 -0.025 0.000 0.768 518 P CB 1.356 33.047 31.700 -0.015 0.000 0.848 519 S N 1.533 117.210 115.700 -0.038 0.000 2.414 519 S HA -0.104 4.372 4.470 0.009 0.000 0.227 519 S C 1.020 175.583 174.600 -0.062 0.000 1.022 519 S CA 0.114 58.283 58.200 -0.051 0.000 0.958 519 S CB -0.616 62.554 63.200 -0.050 0.000 0.797 519 S HN 0.528 nan 8.310 nan 0.000 0.493 520 N N 2.488 121.154 118.700 -0.057 0.000 2.466 520 N HA 0.133 4.878 4.740 0.009 0.000 0.263 520 N C 0.606 176.089 175.510 -0.044 0.000 1.178 520 N CA -0.463 52.543 53.050 -0.073 0.000 0.983 520 N CB -0.032 38.425 38.487 -0.051 0.000 1.331 520 N HN 0.672 nan 8.380 nan 0.000 0.500 521 I N -0.198 120.347 120.570 -0.043 0.000 3.684 521 I HA 0.082 4.257 4.170 0.009 0.000 0.304 521 I C 1.230 177.338 176.117 -0.016 0.000 1.278 521 I CA 0.024 61.319 61.300 -0.008 0.000 1.272 521 I CB -0.175 37.847 38.000 0.037 0.000 1.029 521 I HN 0.127 nan 8.210 nan 0.000 0.458 522 T N 1.517 116.051 114.554 -0.033 0.000 2.720 522 T HA -0.022 4.333 4.350 0.009 0.000 0.268 522 T C 1.706 176.405 174.700 -0.001 0.000 1.037 522 T CA 2.261 64.351 62.100 -0.017 0.000 1.144 522 T CB -0.493 68.368 68.868 -0.013 0.000 0.864 522 T HN 0.824 nan 8.240 nan 0.000 0.444 523 G N 0.928 109.728 108.800 -0.001 0.000 2.258 523 G HA2 -0.206 3.759 3.960 0.009 0.000 0.233 523 G HA3 -0.206 3.759 3.960 0.009 0.000 0.233 523 G C 0.231 175.138 174.900 0.012 0.000 1.006 523 G CA 0.159 45.262 45.100 0.005 0.000 0.620 523 G HN 0.740 nan 8.290 nan 0.000 0.511 524 I N -1.760 118.821 120.570 0.019 0.000 3.239 524 I HA 0.887 5.062 4.170 0.009 0.000 0.314 524 I C 0.280 176.420 176.117 0.039 0.000 1.126 524 I CA -1.024 60.292 61.300 0.026 0.000 0.973 524 I CB 2.104 40.121 38.000 0.029 0.000 1.252 524 I HN 0.749 nan 8.210 nan 0.000 0.463 525 c N -0.294 118.330 118.600 0.041 0.000 3.288 525 c HA 0.554 5.129 4.570 0.009 0.000 0.318 525 c C -1.078 173.038 174.090 0.042 0.000 1.356 525 c CA -0.687 55.675 56.329 0.054 0.000 1.359 525 c CB 1.525 44.064 42.510 0.048 0.000 1.688 525 c HN 0.910 nan 8.230 nan 0.000 0.467 526 D N 0.796 121.221 120.400 0.042 0.000 2.339 526 D HA 0.244 4.889 4.640 0.009 0.000 0.241 526 D C 1.009 177.322 176.300 0.023 0.000 1.183 526 D CA 0.070 54.086 54.000 0.026 0.000 0.859 526 D CB 1.171 41.979 40.800 0.013 0.000 1.067 526 D HN 0.669 nan 8.370 nan 0.000 0.484 527 R N 2.074 122.586 120.500 0.020 0.000 2.096 527 R HA -0.142 4.203 4.340 0.009 0.000 0.235 527 R C 2.114 178.423 176.300 0.014 0.000 1.127 527 R CA 1.974 58.084 56.100 0.017 0.000 0.968 527 R CB -0.238 30.071 30.300 0.015 0.000 0.861 527 R HN 0.436 nan 8.270 nan 0.000 0.440 528 S N 0.056 115.763 115.700 0.012 0.000 2.428 528 S HA -0.108 4.367 4.470 0.009 0.000 0.230 528 S C 1.918 176.523 174.600 0.007 0.000 1.014 528 S CA 0.983 59.188 58.200 0.009 0.000 0.957 528 S CB -0.599 62.605 63.200 0.008 0.000 0.784 528 S HN 0.588 nan 8.310 nan 0.000 0.499 529 I N -1.303 119.271 120.570 0.007 0.000 3.419 529 I HA 0.211 4.386 4.170 0.009 0.000 0.286 529 I C 2.308 178.430 176.117 0.009 0.000 1.268 529 I CA 0.505 61.807 61.300 0.003 0.000 1.414 529 I CB -0.334 37.662 38.000 -0.007 0.000 1.074 529 I HN 0.131 nan 8.210 nan 0.000 0.457 530 Q N 2.439 122.247 119.800 0.014 0.000 2.096 530 Q HA -0.090 4.255 4.340 0.009 0.000 0.204 530 Q C -0.480 175.529 176.000 0.014 0.000 0.982 530 Q CA 2.393 58.207 55.803 0.018 0.000 0.850 530 Q CB -1.423 27.326 28.738 0.018 0.000 0.901 530 Q HN 0.375 nan 8.270 nan 0.000 0.422 531 P HA -0.152 nan 4.420 nan 0.000 0.215 531 P C 0.811 178.115 177.300 0.008 0.000 1.153 531 P CA 1.267 64.372 63.100 0.008 0.000 0.853 531 P CB -0.006 31.698 31.700 0.006 0.000 0.788 532 R N -0.655 119.849 120.500 0.007 0.000 2.115 532 R HA -0.007 4.338 4.340 0.009 0.000 0.230 532 R C 2.301 178.607 176.300 0.011 0.000 1.111 532 R CA 1.018 57.122 56.100 0.007 0.000 0.976 532 R CB -1.208 29.094 30.300 0.003 0.000 0.870 532 R HN 0.319 nan 8.270 nan 0.000 0.445 533 I N 0.872 121.452 120.570 0.016 0.000 2.202 533 I HA -0.259 3.916 4.170 0.009 0.000 0.242 533 I C 1.671 177.803 176.117 0.024 0.000 1.091 533 I CA 1.286 62.602 61.300 0.026 0.000 1.368 533 I CB -0.338 37.684 38.000 0.037 0.000 1.058 533 I HN 0.029 nan 8.210 nan 0.000 0.410 534 D N 1.211 121.621 120.400 0.017 0.000 2.117 534 D HA -0.158 4.487 4.640 0.009 0.000 0.197 534 D C 2.217 178.521 176.300 0.007 0.000 0.987 534 D CA 1.648 55.654 54.000 0.011 0.000 0.829 534 D CB -0.164 40.640 40.800 0.007 0.000 0.961 534 D HN 0.347 nan 8.370 nan 0.000 0.460 535 A N 0.781 123.604 122.820 0.005 0.000 1.969 535 A HA 0.061 4.386 4.320 0.009 0.000 0.218 535 A C 2.261 179.845 177.584 0.001 0.000 1.169 535 A CA 1.792 53.829 52.037 0.000 0.000 0.635 535 A CB -0.416 18.584 19.000 0.000 0.000 0.810 535 A HN 0.230 nan 8.150 nan 0.000 0.445 536 A N -0.684 122.142 122.820 0.009 0.000 1.929 536 A HA 0.080 4.405 4.320 0.009 0.000 0.216 536 A C 2.053 179.648 177.584 0.019 0.000 1.176 536 A CA 1.500 53.544 52.037 0.012 0.000 0.628 536 A CB -0.466 18.546 19.000 0.019 0.000 0.816 536 A HN 0.540 nan 8.150 nan 0.000 0.444 537 L N 0.754 121.999 121.223 0.036 0.000 2.109 537 L HA -0.087 4.258 4.340 0.009 0.000 0.207 537 L C 1.609 178.524 176.870 0.074 0.000 1.086 537 L CA 2.371 57.257 54.840 0.078 0.000 0.760 537 L CB -0.374 41.728 42.059 0.071 0.000 0.910 537 L HN 0.586 nan 8.230 nan 0.000 0.437 538 D N -1.689 118.716 120.400 0.009 0.000 2.340 538 D HA 0.134 4.779 4.640 0.009 0.000 0.220 538 D C 1.579 177.839 176.300 -0.066 0.000 1.039 538 D CA 0.663 54.636 54.000 -0.045 0.000 0.866 538 D CB -0.179 40.583 40.800 -0.064 0.000 0.913 538 D HN 0.334 nan 8.370 nan 0.000 0.523 539 G N 0.142 108.917 108.800 -0.042 0.000 2.179 539 G HA2 -0.364 3.601 3.960 0.009 0.000 0.260 539 G HA3 -0.364 3.601 3.960 0.009 0.000 0.260 539 G C 1.166 176.049 174.900 -0.029 0.000 0.977 539 G CA 1.002 46.075 45.100 -0.044 0.000 0.641 539 G HN 0.586 nan 8.290 nan 0.000 0.533 540 T N -3.126 111.413 114.554 -0.024 0.000 3.023 540 T HA 0.268 4.623 4.350 0.009 0.000 0.266 540 T C 0.662 175.357 174.700 -0.009 0.000 1.093 540 T CA 1.345 63.436 62.100 -0.015 0.000 1.129 540 T CB 0.527 69.386 68.868 -0.014 0.000 0.899 540 T HN 0.319 nan 8.240 nan 0.000 0.491 541 D N 0.999 121.394 120.400 -0.008 0.000 2.342 541 D HA 0.386 5.031 4.640 0.009 0.000 0.243 541 D C -1.278 175.020 176.300 -0.003 0.000 1.019 541 D CA -0.909 53.089 54.000 -0.004 0.000 0.864 541 D CB 1.961 42.761 40.800 -0.001 0.000 1.315 541 D HN 0.130 nan 8.370 nan 0.000 0.468 542 D N 1.728 122.128 120.400 -0.001 0.000 2.458 542 D HA -0.023 4.622 4.640 0.009 0.000 0.243 542 D C 1.323 177.625 176.300 0.003 0.000 1.146 542 D CA -0.148 53.852 54.000 0.000 0.000 0.877 542 D CB 0.593 41.394 40.800 0.002 0.000 1.176 542 D HN 0.269 nan 8.370 nan 0.000 0.461 543 I N 4.575 125.147 120.570 0.004 0.000 2.202 543 I HA -0.114 4.061 4.170 0.009 0.000 0.242 543 I C 1.931 178.056 176.117 0.014 0.000 1.091 543 I CA 1.778 63.084 61.300 0.010 0.000 1.368 543 I CB -0.498 37.508 38.000 0.011 0.000 1.058 543 I HN 0.585 nan 8.210 nan 0.000 0.410 544 A N -0.238 122.590 122.820 0.013 0.000 1.908 544 A HA -0.275 4.050 4.320 0.009 0.000 0.218 544 A C 2.196 179.785 177.584 0.009 0.000 1.181 544 A CA 2.103 54.149 52.037 0.014 0.000 0.627 544 A CB -1.100 17.908 19.000 0.014 0.000 0.818 544 A HN 0.567 nan 8.150 nan 0.000 0.445 545 D N -0.158 120.246 120.400 0.006 0.000 2.104 545 D HA -0.130 4.515 4.640 0.009 0.000 0.194 545 D C 2.021 178.322 176.300 0.003 0.000 0.994 545 D CA 1.684 55.687 54.000 0.004 0.000 0.830 545 D CB -0.243 40.559 40.800 0.003 0.000 0.959 545 D HN 0.162 nan 8.370 nan 0.000 0.452 546 V N 0.956 120.872 119.914 0.004 0.000 2.332 546 V HA -0.236 3.889 4.120 0.009 0.000 0.248 546 V C 2.673 178.766 176.094 -0.001 0.000 1.055 546 V CA 1.273 63.574 62.300 0.002 0.000 1.038 546 V CB -0.330 31.497 31.823 0.006 0.000 0.651 546 V HN 0.242 nan 8.190 nan 0.000 0.450 547 I N -0.388 120.183 120.570 0.003 0.000 2.142 547 I HA -0.305 3.870 4.170 0.009 0.000 0.240 547 I C 2.656 178.773 176.117 0.000 0.000 1.078 547 I CA 1.841 63.141 61.300 -0.000 0.000 1.343 547 I CB -0.480 37.529 38.000 0.014 0.000 1.046 547 I HN 0.332 nan 8.210 nan 0.000 0.405 548 Q N 1.329 121.131 119.800 0.003 0.000 2.156 548 Q HA -0.271 4.074 4.340 0.009 0.000 0.211 548 Q C 2.012 178.013 176.000 0.002 0.000 0.995 548 Q CA 2.737 58.541 55.803 0.002 0.000 0.877 548 Q CB -0.281 28.456 28.738 -0.001 0.000 0.920 548 Q HN 0.552 nan 8.270 nan 0.000 0.416 549 A N -0.746 122.074 122.820 -0.000 0.000 1.935 549 A HA 0.027 4.352 4.320 0.009 0.000 0.214 549 A C 2.049 179.631 177.584 -0.003 0.000 1.178 549 A CA 1.214 53.250 52.037 -0.001 0.000 0.640 549 A CB -0.468 18.531 19.000 -0.002 0.000 0.825 549 A HN 0.517 nan 8.150 nan 0.000 0.447 550 V N -3.212 116.693 119.914 -0.014 0.000 3.174 550 V HA 0.018 4.143 4.120 0.009 0.000 0.254 550 V C 1.728 177.795 176.094 -0.045 0.000 1.120 550 V CA 1.282 63.561 62.300 -0.035 0.000 1.114 550 V CB -0.528 31.261 31.823 -0.057 0.000 0.756 550 V HN 0.358 nan 8.190 nan 0.000 0.467 551 E N 1.540 121.731 120.200 -0.016 0.000 2.086 551 E HA -0.176 4.179 4.350 0.009 0.000 0.200 551 E C 0.259 176.962 176.600 0.171 0.000 1.012 551 E CA 2.428 58.850 56.400 0.037 0.000 0.812 551 E CB -1.691 28.075 29.700 0.111 0.000 0.743 551 E HN 0.553 nan 8.360 nan 0.000 0.453 552 P HA -0.118 nan 4.420 nan 0.000 0.215 552 P C 1.334 178.710 177.300 0.127 0.000 1.153 552 P CA 1.394 64.583 63.100 0.148 0.000 0.853 552 P CB -0.110 31.626 31.700 0.061 0.000 0.788 553 R N -1.024 119.508 120.500 0.052 0.000 2.148 553 R HA 0.045 4.390 4.340 0.009 0.000 0.223 553 R C 2.282 178.575 176.300 -0.012 0.000 1.088 553 R CA 0.716 56.830 56.100 0.024 0.000 0.985 553 R CB -0.732 29.569 30.300 0.001 0.000 0.880 553 R HN 0.230 nan 8.270 nan 0.000 0.451 554 L N -1.184 119.984 121.223 -0.092 0.000 1.994 554 L HA -0.185 4.160 4.340 0.009 0.000 0.208 554 L C 2.059 178.823 176.870 -0.176 0.000 1.071 554 L CA 1.527 56.207 54.840 -0.267 0.000 0.745 554 L CB -0.516 41.199 42.059 -0.573 0.000 0.892 554 L HN 0.269 nan 8.230 nan 0.000 0.431 555 W N 0.416 121.670 121.300 -0.077 0.000 2.338 555 W HA -0.234 4.431 4.660 0.008 0.000 0.304 555 W C 2.563 179.074 176.519 -0.013 0.000 1.212 555 W CA 1.405 58.732 57.345 -0.030 0.000 1.264 555 W CB -0.554 28.889 29.460 -0.029 0.000 1.142 555 W HN 0.224 nan 8.180 nan 0.000 0.512 556 N N 0.172 118.998 118.700 0.211 0.000 2.364 556 N HA -0.178 4.567 4.740 0.009 0.000 0.183 556 N C 1.554 177.116 175.510 0.087 0.000 1.022 556 N CA 1.392 54.517 53.050 0.125 0.000 0.883 556 N CB -0.380 38.156 38.487 0.082 0.000 0.965 556 N HN 0.104 nan 8.380 nan 0.000 0.438 557 M N -0.266 119.375 119.600 0.069 0.000 2.460 557 M HA 0.052 4.537 4.480 0.009 0.000 0.263 557 M C 0.698 177.036 176.300 0.063 0.000 1.071 557 M CA 0.841 56.174 55.300 0.055 0.000 1.096 557 M CB -0.061 32.567 32.600 0.046 0.000 1.408 557 M HN 0.230 nan 8.290 nan 0.000 0.463 558 A N 0.798 123.669 122.820 0.085 0.000 2.687 558 A HA -0.208 4.117 4.320 0.009 0.000 0.299 558 A C 1.123 178.743 177.584 0.060 0.000 1.497 558 A CA 1.191 53.283 52.037 0.091 0.000 0.751 558 A CB -2.393 16.655 19.000 0.080 0.000 1.048 558 A HN 0.664 nan 8.150 nan 0.000 0.464 559 T N -4.362 110.221 114.554 0.048 0.000 2.987 559 T HA 0.475 4.830 4.350 0.009 0.000 0.248 559 T C 0.380 175.089 174.700 0.014 0.000 0.997 559 T CA 0.587 62.707 62.100 0.033 0.000 1.013 559 T CB 0.363 69.256 68.868 0.041 0.000 1.077 559 T HN 0.955 nan 8.240 nan 0.000 0.483 560 V N 2.546 122.460 119.914 0.000 0.000 2.409 560 V HA 0.639 4.764 4.120 0.009 0.000 0.291 560 V C -1.133 174.912 176.094 -0.081 0.000 1.020 560 V CA -1.022 61.255 62.300 -0.037 0.000 0.848 560 V CB 1.685 33.504 31.823 -0.006 0.000 0.990 560 V HN 0.400 nan 8.190 nan 0.000 0.430 561 L N 8.941 130.149 121.223 -0.025 0.000 2.301 561 L HA 0.658 5.004 4.340 0.009 0.000 0.278 561 L C -2.571 174.306 176.870 0.012 0.000 1.022 561 L CA -1.768 53.093 54.840 0.034 0.000 0.854 561 L CB 1.485 43.586 42.059 0.070 0.000 1.226 561 L HN 0.373 nan 8.230 nan 0.000 0.429 562 P HA 0.263 nan 4.420 nan 0.000 0.271 562 P C 0.194 177.535 177.300 0.069 0.000 1.216 562 P CA 0.146 63.273 63.100 0.044 0.000 0.776 562 P CB 1.114 32.868 31.700 0.091 0.000 0.881 563 I N 1.904 122.482 120.570 0.013 0.000 3.393 563 I HA 0.237 4.412 4.170 0.009 0.000 0.250 563 I C 0.656 176.785 176.117 0.019 0.000 1.122 563 I CA 0.252 61.551 61.300 -0.001 0.000 1.484 563 I CB 0.088 38.041 38.000 -0.079 0.000 1.468 563 I HN 0.229 nan 8.210 nan 0.000 0.461 564 L N -1.154 120.072 121.223 0.005 0.000 2.622 564 L HA 0.556 4.901 4.340 0.009 0.000 0.258 564 L C -1.126 175.810 176.870 0.109 0.000 0.996 564 L CA -0.737 54.136 54.840 0.054 0.000 0.858 564 L CB 1.962 44.058 42.059 0.061 0.000 1.449 564 L HN 0.016 nan 8.230 nan 0.000 0.411 565 Q N 1.224 121.090 119.800 0.111 0.000 2.271 565 Q HA 0.276 4.621 4.340 0.009 0.000 0.258 565 Q C -1.000 175.115 176.000 0.191 0.000 0.936 565 Q CA -0.581 55.315 55.803 0.155 0.000 0.909 565 Q CB 1.597 30.364 28.738 0.047 0.000 1.253 565 Q HN 0.748 nan 8.270 nan 0.000 0.440 566 D N 1.916 122.476 120.400 0.266 0.000 2.455 566 D HA 0.099 4.744 4.640 0.009 0.000 0.241 566 D C -0.857 175.496 176.300 0.088 0.000 1.138 566 D CA 0.607 54.728 54.000 0.202 0.000 0.877 566 D CB 0.824 41.634 40.800 0.018 0.000 1.187 566 D HN 0.564 nan 8.370 nan 0.000 0.451 567 T N -0.487 114.118 114.554 0.085 0.000 2.906 567 T HA 0.765 5.120 4.350 0.009 0.000 0.295 567 T C -0.432 174.197 174.700 -0.120 0.000 1.061 567 T CA -0.891 61.203 62.100 -0.010 0.000 1.000 567 T CB 1.647 70.513 68.868 -0.003 0.000 1.103 567 T HN 0.362 nan 8.240 nan 0.000 0.486 568 T N -0.277 114.177 114.554 -0.167 0.000 2.909 568 T HA 0.674 5.029 4.350 0.009 0.000 0.299 568 T C -0.296 174.352 174.700 -0.086 0.000 1.073 568 T CA -0.951 60.997 62.100 -0.253 0.000 0.999 568 T CB 0.890 69.562 68.868 -0.326 0.000 1.098 568 T HN 0.727 nan 8.240 nan 0.000 0.477 569 I N 2.656 123.207 120.570 -0.033 0.000 2.471 569 I HA 0.389 4.564 4.170 0.009 0.000 0.286 569 I C 0.468 176.605 176.117 0.033 0.000 1.079 569 I CA -0.666 60.684 61.300 0.084 0.000 1.398 569 I CB 1.002 39.097 38.000 0.158 0.000 1.403 569 I HN 0.621 nan 8.210 nan 0.000 0.530 570 V N 3.467 123.412 119.914 0.053 0.000 2.769 570 V HA 1.007 5.132 4.120 0.009 0.000 0.312 570 V C -0.177 175.909 176.094 -0.014 0.000 1.058 570 V CA -0.540 61.767 62.300 0.012 0.000 0.952 570 V CB 1.534 33.366 31.823 0.014 0.000 1.019 570 V HN 0.852 nan 8.190 nan 0.000 0.445 571 A N 2.338 125.123 122.820 -0.058 0.000 2.574 571 A HA 1.018 5.344 4.320 0.009 0.000 0.297 571 A C -0.539 176.963 177.584 -0.137 0.000 1.062 571 A CA -0.256 51.721 52.037 -0.100 0.000 0.686 571 A CB 1.735 20.669 19.000 -0.111 0.000 1.285 571 A HN 2.479 nan 8.150 nan 0.000 0.403 572 A N 0.693 123.421 122.820 -0.153 0.000 2.408 572 A HA 0.805 5.130 4.320 0.009 0.000 0.295 572 A C 0.165 177.651 177.584 -0.163 0.000 1.040 572 A CA 0.081 52.001 52.037 -0.196 0.000 0.707 572 A CB 1.182 20.044 19.000 -0.229 0.000 1.235 572 A HN 2.107 nan 8.150 nan 0.000 0.418 573 G N 1.500 110.202 108.800 -0.163 0.000 2.504 573 G HA2 0.565 4.531 3.960 0.009 0.000 0.288 573 G HA3 0.565 4.531 3.960 0.009 0.000 0.288 573 G C -1.222 173.604 174.900 -0.123 0.000 1.182 573 G CA -1.436 43.586 45.100 -0.129 0.000 0.894 573 G HN 0.437 nan 8.290 nan 0.000 0.521 574 P HA -0.110 nan 4.420 nan 0.000 0.225 574 P C 1.661 178.914 177.300 -0.079 0.000 1.148 574 P CA 1.383 64.434 63.100 -0.082 0.000 0.779 574 P CB 0.143 31.804 31.700 -0.064 0.000 0.780 575 S N -1.586 114.064 115.700 -0.084 0.000 2.515 575 S HA 0.050 4.525 4.470 0.009 0.000 0.231 575 S C 0.914 175.463 174.600 -0.084 0.000 0.987 575 S CA -0.130 58.026 58.200 -0.073 0.000 0.936 575 S CB -0.767 62.393 63.200 -0.067 0.000 0.766 575 S HN 0.044 nan 8.310 nan 0.000 0.528 576 V N 1.895 121.736 119.914 -0.122 0.000 2.628 576 V HA 0.479 4.605 4.120 0.009 0.000 0.306 576 V C -1.298 174.707 176.094 -0.147 0.000 1.045 576 V CA -0.768 61.439 62.300 -0.155 0.000 0.905 576 V CB 1.944 33.606 31.823 -0.268 0.000 0.997 576 V HN 0.333 nan 8.190 nan 0.000 0.436 577 Q N 3.551 123.287 119.800 -0.106 0.000 2.297 577 Q HA 0.513 4.858 4.340 0.009 0.000 0.268 577 Q C 0.032 176.004 176.000 -0.047 0.000 1.045 577 Q CA -0.670 55.095 55.803 -0.064 0.000 0.861 577 Q CB 1.331 30.062 28.738 -0.012 0.000 1.344 577 Q HN 0.870 nan 8.270 nan 0.000 0.452 578 N N -1.030 117.663 118.700 -0.011 0.000 2.741 578 N HA -0.143 4.602 4.740 0.009 0.000 0.250 578 N C -0.848 174.707 175.510 0.074 0.000 1.115 578 N CA 0.538 53.628 53.050 0.066 0.000 0.724 578 N CB -1.505 37.072 38.487 0.151 0.000 1.090 578 N HN 0.247 nan 8.380 nan 0.000 0.558 579 V N 1.498 121.332 119.914 -0.133 0.000 2.304 579 V HA 0.256 4.381 4.120 0.009 0.000 0.269 579 V C 0.777 176.821 176.094 -0.084 0.000 1.036 579 V CA -0.576 61.586 62.300 -0.230 0.000 0.840 579 V CB 1.291 32.717 31.823 -0.662 0.000 1.036 579 V HN 0.368 nan 8.190 nan 0.000 0.466 580 S N 5.361 121.080 115.700 0.031 0.000 2.586 580 S HA 0.584 5.059 4.470 0.009 0.000 0.274 580 S C 0.026 174.645 174.600 0.032 0.000 1.281 580 S CA -0.674 57.541 58.200 0.024 0.000 1.035 580 S CB 1.143 64.371 63.200 0.047 0.000 0.962 580 S HN 0.517 nan 8.310 nan 0.000 0.512 581 L N 2.228 123.458 121.223 0.012 0.000 3.036 581 L HA 0.313 4.658 4.340 0.009 0.000 0.237 581 L C -0.195 176.693 176.870 0.030 0.000 1.319 581 L CA -0.213 54.639 54.840 0.019 0.000 1.112 581 L CB -0.701 41.358 42.059 0.000 0.000 1.480 581 L HN 0.764 nan 8.230 nan 0.000 0.506 582 T N -1.008 113.569 114.554 0.038 0.000 2.912 582 T HA 0.825 5.180 4.350 0.009 0.000 0.299 582 T C 0.044 174.762 174.700 0.030 0.000 1.052 582 T CA -0.679 61.438 62.100 0.028 0.000 0.996 582 T CB 2.618 71.498 68.868 0.020 0.000 1.070 582 T HN 0.305 nan 8.240 nan 0.000 0.465 583 G N 0.305 109.112 108.800 0.012 0.000 2.428 583 G HA2 0.664 4.629 3.960 0.009 0.000 0.304 583 G HA3 0.664 4.629 3.960 0.009 0.000 0.304 583 G C -1.484 173.400 174.900 -0.027 0.000 1.303 583 G CA -0.325 44.775 45.100 -0.002 0.000 0.825 583 G HN 0.933 nan 8.290 nan 0.000 0.484 584 A N -0.500 122.287 122.820 -0.055 0.000 2.388 584 A HA 0.564 4.889 4.320 0.009 0.000 0.257 584 A C 1.656 179.201 177.584 -0.065 0.000 1.095 584 A CA 0.283 52.268 52.037 -0.088 0.000 0.791 584 A CB 0.814 19.715 19.000 -0.166 0.000 1.029 584 A HN 1.357 nan 8.150 nan 0.000 0.489 585 V N 2.894 122.775 119.914 -0.055 0.000 2.278 585 V HA -0.195 3.930 4.120 0.009 0.000 0.251 585 V C -0.468 175.612 176.094 -0.023 0.000 1.062 585 V CA 2.761 65.043 62.300 -0.030 0.000 1.038 585 V CB -1.522 30.292 31.823 -0.015 0.000 0.646 585 V HN 0.833 nan 8.190 nan 0.000 0.447 586 P HA -0.041 nan 4.420 nan 0.000 0.226 586 P C 1.464 178.760 177.300 -0.007 0.000 1.153 586 P CA 0.988 64.093 63.100 0.008 0.000 0.777 586 P CB 0.079 31.806 31.700 0.045 0.000 0.794 587 V N -2.460 117.435 119.914 -0.031 0.000 2.743 587 V HA 0.402 4.528 4.120 0.009 0.000 0.237 587 V C 1.545 177.635 176.094 -0.008 0.000 1.113 587 V CA 1.345 63.632 62.300 -0.020 0.000 1.141 587 V CB -0.735 31.069 31.823 -0.032 0.000 0.873 587 V HN 0.313 nan 8.190 nan 0.000 0.486 588 G N 1.304 110.101 108.800 -0.005 0.000 2.601 588 G HA2 -0.218 3.748 3.960 0.009 0.000 0.224 588 G HA3 -0.218 3.748 3.960 0.009 0.000 0.224 588 G C 0.425 175.352 174.900 0.045 0.000 1.171 588 G CA 0.155 45.264 45.100 0.015 0.000 1.009 588 G HN 0.863 nan 8.290 nan 0.000 0.589 589 I N -0.366 120.259 120.570 0.091 0.000 4.018 589 I HA 0.439 4.614 4.170 0.009 0.000 0.337 589 I C 1.865 178.135 176.117 0.255 0.000 1.327 589 I CA 0.899 62.292 61.300 0.154 0.000 1.100 589 I CB 0.682 38.774 38.000 0.154 0.000 1.025 589 I HN 0.830 nan 8.210 nan 0.000 0.396 590 V N -1.503 118.506 119.914 0.159 0.000 3.633 590 V HA 0.453 4.578 4.120 0.009 0.000 0.283 590 V C 2.035 178.077 176.094 -0.088 0.000 1.305 590 V CA 0.715 63.034 62.300 0.030 0.000 1.153 590 V CB -0.831 30.997 31.823 0.008 0.000 0.950 590 V HN 0.325 nan 8.190 nan 0.000 0.432 591 G N 2.222 111.018 108.800 -0.006 0.000 2.450 591 G HA2 -0.249 3.716 3.960 0.009 0.000 0.220 591 G HA3 -0.249 3.716 3.960 0.009 0.000 0.220 591 G C 0.910 175.782 174.900 -0.047 0.000 1.130 591 G CA 1.147 46.233 45.100 -0.024 0.000 0.760 591 G HN 0.789 nan 8.290 nan 0.000 0.557 592 D N -0.082 120.303 120.400 -0.025 0.000 2.463 592 D HA 0.454 5.099 4.640 0.009 0.000 0.224 592 D C 1.804 177.948 176.300 -0.260 0.000 1.174 592 D CA 0.356 54.345 54.000 -0.017 0.000 0.829 592 D CB -0.002 40.877 40.800 0.132 0.000 0.993 592 D HN 0.184 nan 8.370 nan 0.000 0.497 593 A N 0.813 123.228 122.820 -0.675 0.000 2.019 593 A HA 0.065 4.391 4.320 0.009 0.000 0.219 593 A C 2.241 179.465 177.584 -0.600 0.000 1.164 593 A CA 1.384 52.494 52.037 -1.545 0.000 0.644 593 A CB -1.143 17.007 19.000 -1.416 0.000 0.805 593 A HN 0.375 nan 8.150 nan 0.000 0.449 594 G N -0.844 107.848 108.800 -0.180 0.000 2.535 594 G HA2 -0.120 3.845 3.960 0.009 0.000 0.218 594 G HA3 -0.120 3.845 3.960 0.009 0.000 0.218 594 G C 0.829 175.712 174.900 -0.029 0.000 1.122 594 G CA 1.072 46.131 45.100 -0.069 0.000 0.769 594 G HN 0.505 nan 8.290 nan 0.000 0.549 595 D N -1.052 119.351 120.400 0.005 0.000 2.389 595 D HA 0.041 4.686 4.640 0.009 0.000 0.206 595 D C 0.247 176.699 176.300 0.253 0.000 1.055 595 D CA -0.456 53.612 54.000 0.112 0.000 0.856 595 D CB 0.078 40.950 40.800 0.119 0.000 0.957 595 D HN 0.177 nan 8.370 nan 0.000 0.509 596 W N 3.204 124.526 121.300 0.037 0.000 2.347 596 W HA 0.153 4.816 4.660 0.007 0.000 0.333 596 W C 1.204 177.731 176.519 0.015 0.000 1.383 596 W CA -0.405 56.950 57.345 0.017 0.000 1.283 596 W CB -0.488 28.976 29.460 0.007 0.000 1.253 596 W HN -0.207 nan 8.180 nan 0.000 0.563 597 T N 0.501 115.169 114.554 0.190 0.000 2.887 597 T HA 0.630 4.985 4.350 0.009 0.000 0.292 597 T C -0.639 174.088 174.700 0.045 0.000 1.087 597 T CA -1.288 60.874 62.100 0.104 0.000 1.009 597 T CB 2.586 71.497 68.868 0.071 0.000 1.203 597 T HN 0.239 nan 8.240 nan 0.000 0.518 598 K N 0.988 121.405 120.400 0.029 0.000 2.164 598 K HA 0.556 4.881 4.320 0.009 0.000 0.258 598 K C 0.126 176.722 176.600 -0.006 0.000 0.951 598 K CA -0.700 55.587 56.287 -0.000 0.000 0.844 598 K CB 1.661 34.162 32.500 0.002 0.000 1.099 598 K HN 0.719 nan 8.250 nan 0.000 0.435 599 T N 0.000 114.542 114.554 -0.020 0.000 3.816 599 T HA 0.000 4.355 4.350 0.009 0.000 0.228 599 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 599 T CB 0.000 68.851 68.868 -0.029 0.000 0.612 599 T HN 0.000 nan 8.240 nan 0.000 0.658