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 5bj4_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRGLSRRVQA MKPXXXXXXX XXXXXXXXXG VDLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE SQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAKAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS RQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 R N 0.937 121.439 120.500 0.003 0.000 2.730 2 R HA 0.979 5.318 4.340 -0.000 0.000 0.228 2 R C -0.364 175.938 176.300 0.004 0.000 1.312 2 R CA -0.342 55.760 56.100 0.005 0.000 1.093 2 R CB 1.238 31.541 30.300 0.005 0.000 1.583 2 R HN 1.262 nan 8.270 nan 0.000 0.535 3 G N 0.206 109.009 108.800 0.006 0.000 2.640 3 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.686 3 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.686 3 G C -0.944 173.961 174.900 0.008 0.000 1.229 3 G CA -1.049 44.055 45.100 0.006 0.000 0.796 3 G HN 0.336 nan 8.290 nan 0.000 0.654 4 L N 1.087 122.317 121.223 0.011 0.000 2.453 4 L HA 0.521 4.861 4.340 -0.000 0.000 0.261 4 L C 1.718 178.594 176.870 0.009 0.000 1.179 4 L CA -0.133 54.716 54.840 0.015 0.000 0.813 4 L CB 0.990 43.062 42.059 0.022 0.000 1.110 4 L HN 0.974 nan 8.230 nan 0.000 0.466 5 S N 0.970 116.676 115.700 0.010 0.000 2.600 5 S HA 0.213 4.683 4.470 -0.000 0.000 0.265 5 S C 0.983 175.574 174.600 -0.015 0.000 1.325 5 S CA -0.651 57.544 58.200 -0.009 0.000 1.002 5 S CB 1.038 64.227 63.200 -0.019 0.000 0.921 5 S HN 0.566 nan 8.310 nan 0.000 0.554 6 R N 1.243 121.722 120.500 -0.036 0.000 2.075 6 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 6 R C 2.608 178.879 176.300 -0.048 0.000 1.126 6 R CA 1.593 57.671 56.100 -0.037 0.000 0.963 6 R CB -0.505 29.767 30.300 -0.046 0.000 0.858 6 R HN 0.881 nan 8.270 nan 0.000 0.435 7 R N 0.415 120.850 120.500 -0.107 0.000 2.105 7 R HA -0.061 4.279 4.340 -0.000 0.000 0.239 7 R C 1.993 178.298 176.300 0.009 0.000 1.135 7 R CA 1.468 57.464 56.100 -0.173 0.000 0.967 7 R CB -0.794 29.187 30.300 -0.531 0.000 0.861 7 R HN 0.008 nan 8.270 nan 0.000 0.442 8 V N 1.181 121.137 119.914 0.071 0.000 2.719 8 V HA -0.104 4.016 4.120 -0.000 0.000 0.252 8 V C 2.005 178.156 176.094 0.095 0.000 1.065 8 V CA 1.521 63.926 62.300 0.174 0.000 1.086 8 V CB -0.063 31.860 31.823 0.166 0.000 0.700 8 V HN 0.424 nan 8.190 nan 0.000 0.467 9 Q N -0.597 119.233 119.800 0.049 0.000 2.331 9 Q HA 0.082 4.422 4.340 -0.000 0.000 0.203 9 Q C 2.091 178.107 176.000 0.026 0.000 0.944 9 Q CA 1.093 56.914 55.803 0.030 0.000 0.892 9 Q CB -0.092 28.655 28.738 0.014 0.000 0.983 9 Q HN 0.648 nan 8.270 nan 0.000 0.482 10 A N 0.236 123.074 122.820 0.029 0.000 2.208 10 A HA 0.080 4.400 4.320 -0.000 0.000 0.209 10 A C 0.917 178.524 177.584 0.037 0.000 1.161 10 A CA 0.049 52.099 52.037 0.022 0.000 0.782 10 A CB -0.097 18.906 19.000 0.005 0.000 0.816 10 A HN 0.223 nan 8.150 nan 0.000 0.477 11 M N 1.363 121.002 119.600 0.064 0.000 2.245 11 M HA 0.136 4.616 4.480 -0.000 0.000 0.344 11 M C -0.237 176.073 176.300 0.017 0.000 1.170 11 M CA 0.211 55.546 55.300 0.059 0.000 1.135 11 M CB 0.605 33.257 32.600 0.087 0.000 1.574 11 M HN 0.002 nan 8.290 nan 0.000 0.452 12 K N 3.849 124.245 120.400 -0.007 0.000 2.205 12 K HA 0.480 4.800 4.320 -0.000 0.000 0.279 12 K C -1.927 174.651 176.600 -0.038 0.000 1.027 12 K CA -1.237 55.037 56.287 -0.021 0.000 0.932 12 K CB 0.197 32.678 32.500 -0.032 0.000 1.032 12 K HN 0.512 nan 8.250 nan 0.000 0.466 31 V N 1.367 121.287 119.914 0.010 0.000 2.572 31 V HA 0.288 4.408 4.120 -0.000 0.000 0.291 31 V C 0.193 176.294 176.094 0.012 0.000 1.039 31 V CA -0.160 62.148 62.300 0.012 0.000 1.055 31 V CB 1.541 33.373 31.823 0.015 0.000 0.969 31 V HN 0.370 nan 8.190 nan 0.000 0.482 32 D N 4.722 125.129 120.400 0.011 0.000 2.336 32 D HA 0.396 5.036 4.640 -0.000 0.000 0.249 32 D C -0.560 175.748 176.300 0.013 0.000 1.213 32 D CA -0.064 53.941 54.000 0.009 0.000 0.870 32 D CB 0.425 41.228 40.800 0.005 0.000 1.076 32 D HN 0.420 nan 8.370 nan 0.000 0.483 33 L N 3.792 125.024 121.223 0.015 0.000 2.329 33 L HA 0.486 4.826 4.340 -0.000 0.000 0.279 33 L C -0.544 176.335 176.870 0.016 0.000 1.014 33 L CA -1.325 53.527 54.840 0.021 0.000 0.814 33 L CB 2.042 44.117 42.059 0.027 0.000 1.257 33 L HN 0.192 nan 8.230 nan 0.000 0.424 34 V N 2.703 122.628 119.914 0.018 0.000 2.350 34 V HA 0.454 4.574 4.120 -0.000 0.000 0.276 34 V C 0.376 176.486 176.094 0.026 0.000 1.028 34 V CA -0.485 61.819 62.300 0.007 0.000 0.860 34 V CB 1.400 33.213 31.823 -0.017 0.000 0.990 34 V HN 0.832 nan 8.190 nan 0.000 0.453 35 A N 6.356 129.191 122.820 0.024 0.000 2.276 35 A HA 0.741 5.061 4.320 -0.000 0.000 0.300 35 A C 0.004 177.614 177.584 0.045 0.000 1.235 35 A CA -0.316 51.746 52.037 0.041 0.000 0.867 35 A CB 0.304 19.325 19.000 0.036 0.000 1.137 35 A HN 0.871 nan 8.150 nan 0.000 0.527 36 L N 3.225 124.493 121.223 0.075 0.000 3.209 36 L HA 0.159 4.499 4.340 -0.000 0.000 0.279 36 L C 1.287 178.228 176.870 0.119 0.000 1.301 36 L CA 0.287 55.182 54.840 0.093 0.000 1.004 36 L CB 0.205 42.339 42.059 0.125 0.000 1.402 36 L HN 0.926 nan 8.230 nan 0.000 0.577 37 T N -3.978 110.640 114.554 0.106 0.000 3.022 37 T HA 0.277 4.627 4.350 -0.000 0.000 0.250 37 T C 1.026 175.822 174.700 0.160 0.000 1.060 37 T CA 0.147 62.325 62.100 0.130 0.000 1.013 37 T CB 0.387 69.320 68.868 0.107 0.000 0.982 37 T HN 0.205 nan 8.240 nan 0.000 0.508 38 A N 0.967 123.860 122.820 0.122 0.000 2.587 38 A HA 0.510 4.830 4.320 -0.000 0.000 0.235 38 A C 1.356 179.107 177.584 0.278 0.000 1.044 38 A CA 0.255 52.366 52.037 0.123 0.000 0.754 38 A CB -0.298 18.699 19.000 -0.004 0.000 0.968 38 A HN 0.614 nan 8.150 nan 0.000 0.509 39 G N 1.350 110.341 108.800 0.318 0.000 3.651 39 G HA2 0.453 4.413 3.960 -0.000 0.000 0.279 39 G HA3 0.453 4.413 3.960 -0.000 0.000 0.279 39 G C 0.068 175.270 174.900 0.502 0.000 1.024 39 G CA 0.403 45.824 45.100 0.534 0.000 0.813 39 G HN 0.946 nan 8.290 nan 0.000 0.518 40 E N 0.096 120.466 120.200 0.283 0.000 2.390 40 E HA 0.472 4.822 4.350 -0.000 0.000 0.277 40 E C -3.210 173.360 176.600 -0.049 0.000 0.939 40 E CA -2.255 54.283 56.400 0.230 0.000 0.769 40 E CB 1.764 31.574 29.700 0.185 0.000 1.251 40 E HN -0.161 nan 8.360 nan 0.000 0.450 41 P HA -0.029 nan 4.420 nan 0.000 0.267 41 P C 0.052 177.372 177.300 0.032 0.000 1.200 41 P CA 0.117 63.250 63.100 0.055 0.000 0.772 41 P CB 0.508 32.466 31.700 0.429 0.000 0.855 42 D N 1.465 121.818 120.400 -0.078 0.000 2.333 42 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 42 D C 0.350 176.584 176.300 -0.109 0.000 0.984 42 D CA 0.476 54.383 54.000 -0.155 0.000 0.873 42 D CB -0.275 40.355 40.800 -0.284 0.000 0.935 42 D HN 0.246 nan 8.370 nan 0.000 0.521 43 F N 1.636 121.666 119.950 0.135 0.000 2.444 43 F HA 0.220 4.746 4.527 -0.000 0.000 0.331 43 F C 1.224 177.152 175.800 0.212 0.000 1.167 43 F CA -0.583 57.532 58.000 0.191 0.000 1.262 43 F CB 0.384 39.568 39.000 0.308 0.000 1.196 43 F HN -0.261 nan 8.300 nan 0.000 0.583 44 D N -0.094 120.545 120.400 0.399 0.000 2.348 44 D HA 0.087 4.727 4.640 -0.000 0.000 0.249 44 D C -0.193 176.228 176.300 0.202 0.000 1.110 44 D CA -0.263 53.892 54.000 0.259 0.000 0.967 44 D CB 1.226 42.142 40.800 0.193 0.000 1.139 44 D HN 0.543 nan 8.370 nan 0.000 0.466 45 T N 1.008 115.637 114.554 0.125 0.000 2.888 45 T HA 0.242 4.592 4.350 -0.000 0.000 0.301 45 T C -2.212 172.383 174.700 -0.175 0.000 1.001 45 T CA -1.212 60.835 62.100 -0.089 0.000 1.147 45 T CB 0.743 69.606 68.868 -0.009 0.000 0.931 45 T HN 0.203 nan 8.240 nan 0.000 0.541 46 P HA 0.058 nan 4.420 nan 0.000 0.266 46 P C 0.825 178.035 177.300 -0.150 0.000 1.193 46 P CA -0.093 62.857 63.100 -0.250 0.000 0.770 46 P CB 0.657 32.167 31.700 -0.316 0.000 0.836 47 E N 1.912 122.119 120.200 0.011 0.000 2.160 47 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 47 E C 1.834 178.440 176.600 0.011 0.000 0.991 47 E CA 1.744 58.160 56.400 0.027 0.000 0.810 47 E CB -0.822 28.918 29.700 0.067 0.000 0.742 47 E HN 0.750 nan 8.360 nan 0.000 0.466 48 H N -1.170 117.856 119.070 -0.073 0.000 2.421 48 H HA -0.006 4.550 4.556 -0.000 0.000 0.298 48 H C 1.997 177.258 175.328 -0.112 0.000 1.087 48 H CA 1.244 57.241 56.048 -0.084 0.000 1.330 48 H CB -0.314 29.389 29.762 -0.099 0.000 1.388 48 H HN -0.073 nan 8.280 nan 0.000 0.526 49 V N 1.100 120.607 119.914 -0.679 0.000 2.407 49 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 49 V C 2.343 178.289 176.094 -0.248 0.000 1.041 49 V CA 1.811 63.763 62.300 -0.581 0.000 1.040 49 V CB -0.374 30.952 31.823 -0.828 0.000 0.671 49 V HN 0.373 nan 8.190 nan 0.000 0.455 50 K N -0.083 120.253 120.400 -0.107 0.000 2.063 50 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 50 K C 2.222 178.873 176.600 0.085 0.000 1.048 50 K CA 1.733 58.092 56.287 0.119 0.000 0.928 50 K CB -0.168 32.402 32.500 0.117 0.000 0.713 50 K HN 0.292 nan 8.250 nan 0.000 0.442 51 E N 0.863 121.079 120.200 0.027 0.000 2.110 51 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 51 E C 1.688 178.306 176.600 0.029 0.000 0.988 51 E CA 1.381 57.799 56.400 0.030 0.000 0.804 51 E CB -0.142 29.574 29.700 0.027 0.000 0.745 51 E HN 0.308 nan 8.360 nan 0.000 0.458 52 A N 0.354 123.183 122.820 0.014 0.000 1.969 52 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 52 A C 2.352 179.983 177.584 0.078 0.000 1.169 52 A CA 1.743 53.800 52.037 0.032 0.000 0.635 52 A CB -0.708 18.297 19.000 0.008 0.000 0.810 52 A HN 0.334 nan 8.150 nan 0.000 0.445 53 A N 0.037 122.931 122.820 0.124 0.000 1.898 53 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 53 A C 2.224 179.871 177.584 0.104 0.000 1.181 53 A CA 1.394 53.549 52.037 0.197 0.000 0.620 53 A CB -0.433 18.790 19.000 0.372 0.000 0.819 53 A HN 0.540 nan 8.150 nan 0.000 0.442 54 R N -0.633 119.912 120.500 0.074 0.000 2.081 54 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 54 R C 2.458 178.760 176.300 0.003 0.000 1.131 54 R CA 1.580 57.700 56.100 0.032 0.000 0.960 54 R CB -0.307 30.009 30.300 0.027 0.000 0.856 54 R HN 0.473 nan 8.270 nan 0.000 0.436 55 R N 0.214 120.711 120.500 -0.004 0.000 2.081 55 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 55 R C 2.357 178.605 176.300 -0.086 0.000 1.131 55 R CA 1.307 57.381 56.100 -0.043 0.000 0.960 55 R CB -0.344 29.930 30.300 -0.045 0.000 0.856 55 R HN 0.215 nan 8.270 nan 0.000 0.436 56 A N 1.298 124.073 122.820 -0.075 0.000 1.902 56 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 56 A C 2.182 179.708 177.584 -0.096 0.000 1.181 56 A CA 1.095 53.046 52.037 -0.142 0.000 0.623 56 A CB -0.500 18.481 19.000 -0.031 0.000 0.818 56 A HN 0.167 nan 8.150 nan 0.000 0.443 57 L N -0.844 120.357 121.223 -0.037 0.000 1.994 57 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 57 L C 3.098 179.938 176.870 -0.049 0.000 1.071 57 L CA 1.270 56.092 54.840 -0.031 0.000 0.745 57 L CB -0.551 41.499 42.059 -0.014 0.000 0.892 57 L HN 0.439 nan 8.230 nan 0.000 0.431 58 A N -0.900 121.890 122.820 -0.050 0.000 2.019 58 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 58 A C 1.999 179.540 177.584 -0.071 0.000 1.164 58 A CA 1.257 53.263 52.037 -0.052 0.000 0.644 58 A CB -0.349 18.624 19.000 -0.044 0.000 0.805 58 A HN 0.540 nan 8.150 nan 0.000 0.449 59 Q N -1.313 118.425 119.800 -0.103 0.000 2.320 59 Q HA 0.270 4.610 4.340 -0.000 0.000 0.201 59 Q C 0.935 176.859 176.000 -0.127 0.000 0.910 59 Q CA 0.205 55.929 55.803 -0.132 0.000 0.946 59 Q CB 0.099 28.715 28.738 -0.203 0.000 1.062 59 Q HN 0.794 nan 8.270 nan 0.000 0.503 60 G N 2.137 110.880 108.800 -0.096 0.000 2.225 60 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.267 60 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.267 60 G C -0.091 174.762 174.900 -0.078 0.000 1.024 60 G CA 0.216 45.272 45.100 -0.075 0.000 0.784 60 G HN 0.277 nan 8.290 nan 0.000 0.507 61 K N 1.013 121.346 120.400 -0.112 0.000 2.278 61 K HA 0.314 4.634 4.320 -0.000 0.000 0.237 61 K C 1.283 177.891 176.600 0.013 0.000 1.229 61 K CA 0.607 56.844 56.287 -0.084 0.000 1.155 61 K CB -0.050 32.289 32.500 -0.268 0.000 1.590 61 K HN 0.416 nan 8.250 nan 0.000 0.290 62 T N -2.192 112.362 114.554 0.000 0.000 3.252 62 T HA 0.195 4.545 4.350 -0.000 0.000 0.286 62 T C 0.321 174.999 174.700 -0.037 0.000 1.013 62 T CA -0.692 61.404 62.100 -0.007 0.000 0.914 62 T CB 0.321 69.170 68.868 -0.031 0.000 1.131 62 T HN -0.032 nan 8.240 nan 0.000 0.529 63 K N 0.926 121.322 120.400 -0.007 0.000 2.210 63 K HA 0.451 4.771 4.320 -0.000 0.000 0.236 63 K C -0.567 176.046 176.600 0.021 0.000 1.016 63 K CA -0.918 55.345 56.287 -0.040 0.000 0.913 63 K CB 0.664 33.177 32.500 0.023 0.000 1.141 63 K HN 0.134 nan 8.250 nan 0.000 0.462 64 Y N 0.414 120.747 120.300 0.055 0.000 2.702 64 Y HA 0.098 4.648 4.550 -0.000 0.000 0.336 64 Y C 0.887 176.825 175.900 0.064 0.000 1.235 64 Y CA 0.252 58.384 58.100 0.053 0.000 1.492 64 Y CB 0.200 38.685 38.460 0.040 0.000 1.308 64 Y HN 0.554 nan 8.280 nan 0.000 0.589 65 A N 4.912 127.882 122.820 0.249 0.000 2.322 65 A HA 0.761 5.081 4.320 -0.000 0.000 0.327 65 A C -2.609 175.037 177.584 0.104 0.000 1.134 65 A CA -2.111 50.017 52.037 0.152 0.000 0.831 65 A CB 0.535 19.604 19.000 0.113 0.000 1.288 65 A HN 0.521 nan 8.150 nan 0.000 0.472 66 P HA 0.211 nan 4.420 nan 0.000 0.269 66 P C -2.040 175.275 177.300 0.025 0.000 1.215 66 P CA -0.945 62.174 63.100 0.032 0.000 0.780 66 P CB 0.142 31.855 31.700 0.021 0.000 0.898 67 P HA -0.202 nan 4.420 nan 0.000 0.216 67 P C 0.911 178.223 177.300 0.021 0.000 1.150 67 P CA 1.877 64.985 63.100 0.013 0.000 0.843 67 P CB -0.241 31.461 31.700 0.002 0.000 0.787 68 A N -1.572 121.256 122.820 0.015 0.000 2.251 68 A HA 0.504 4.824 4.320 -0.000 0.000 0.209 68 A C 1.015 178.607 177.584 0.013 0.000 1.187 68 A CA 0.753 52.800 52.037 0.016 0.000 0.823 68 A CB -0.758 18.247 19.000 0.009 0.000 0.846 68 A HN 0.325 nan 8.150 nan 0.000 0.486 69 G N -0.415 108.388 108.800 0.006 0.000 2.539 69 G HA2 0.098 4.058 3.960 -0.000 0.000 0.686 69 G HA3 0.098 4.058 3.960 -0.000 0.000 0.686 69 G C -0.192 174.678 174.900 -0.050 0.000 1.258 69 G CA -0.559 44.530 45.100 -0.019 0.000 0.846 69 G HN 1.254 nan 8.290 nan 0.000 0.647 70 I N -0.225 120.281 120.570 -0.107 0.000 2.710 70 I HA 0.312 4.482 4.170 -0.000 0.000 0.286 70 I C -0.342 175.686 176.117 -0.147 0.000 1.181 70 I CA -1.158 60.057 61.300 -0.141 0.000 1.430 70 I CB 0.767 38.579 38.000 -0.314 0.000 1.367 70 I HN 0.382 nan 8.210 nan 0.000 0.577 71 P HA -0.198 nan 4.420 nan 0.000 0.216 71 P C 1.067 178.304 177.300 -0.104 0.000 1.150 71 P CA 1.638 64.697 63.100 -0.069 0.000 0.843 71 P CB 0.218 31.904 31.700 -0.024 0.000 0.787 72 E N -0.107 119.998 120.200 -0.157 0.000 2.077 72 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 72 E C 2.239 178.708 176.600 -0.219 0.000 0.989 72 E CA 0.722 57.016 56.400 -0.176 0.000 0.800 72 E CB -0.937 28.623 29.700 -0.233 0.000 0.746 72 E HN 0.206 nan 8.360 nan 0.000 0.452 73 L N 0.351 121.398 121.223 -0.294 0.000 2.109 73 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 73 L C 2.185 178.939 176.870 -0.193 0.000 1.086 73 L CA 1.147 55.825 54.840 -0.270 0.000 0.760 73 L CB -0.049 41.834 42.059 -0.293 0.000 0.910 73 L HN 0.114 nan 8.230 nan 0.000 0.437 74 R N -0.305 120.113 120.500 -0.137 0.000 2.120 74 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 74 R C 1.987 178.247 176.300 -0.067 0.000 1.123 74 R CA 1.313 57.367 56.100 -0.077 0.000 0.975 74 R CB -0.168 30.105 30.300 -0.044 0.000 0.866 74 R HN 0.488 nan 8.270 nan 0.000 0.446 75 E N 0.558 120.710 120.200 -0.079 0.000 2.072 75 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 75 E C 2.066 178.618 176.600 -0.081 0.000 0.985 75 E CA 1.026 57.389 56.400 -0.061 0.000 0.801 75 E CB -0.057 29.610 29.700 -0.054 0.000 0.750 75 E HN 0.341 nan 8.360 nan 0.000 0.452 76 A N 0.957 123.702 122.820 -0.124 0.000 1.972 76 A HA -0.156 4.163 4.320 -0.000 0.000 0.219 76 A C 2.050 179.510 177.584 -0.206 0.000 1.169 76 A CA 0.916 52.860 52.037 -0.155 0.000 0.635 76 A CB -0.310 18.577 19.000 -0.188 0.000 0.810 76 A HN 0.115 nan 8.150 nan 0.000 0.446 77 L N -0.489 120.597 121.223 -0.227 0.000 2.056 77 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 77 L C 2.920 179.731 176.870 -0.099 0.000 1.078 77 L CA 1.832 56.493 54.840 -0.297 0.000 0.749 77 L CB -1.283 40.665 42.059 -0.185 0.000 0.901 77 L HN 0.402 nan 8.230 nan 0.000 0.433 78 A N -1.169 121.662 122.820 0.017 0.000 1.972 78 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 78 A C 2.159 179.771 177.584 0.047 0.000 1.169 78 A CA 1.339 53.432 52.037 0.093 0.000 0.635 78 A CB -0.295 18.733 19.000 0.047 0.000 0.810 78 A HN 0.393 nan 8.150 nan 0.000 0.446 79 E N 0.048 120.231 120.200 -0.028 0.000 2.046 79 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 79 E C 2.018 178.586 176.600 -0.053 0.000 0.982 79 E CA 1.138 57.516 56.400 -0.036 0.000 0.800 79 E CB -0.359 29.306 29.700 -0.057 0.000 0.756 79 E HN 0.612 nan 8.360 nan 0.000 0.449 80 K N 0.564 120.876 120.400 -0.147 0.000 2.032 80 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 80 K C 2.081 178.596 176.600 -0.142 0.000 1.048 80 K CA 1.029 57.195 56.287 -0.202 0.000 0.927 80 K CB -0.371 31.890 32.500 -0.398 0.000 0.712 80 K HN 0.021 nan 8.250 nan 0.000 0.441 81 F N 1.328 121.269 119.950 -0.016 0.000 2.171 81 F HA -0.058 4.469 4.527 -0.000 0.000 0.300 81 F C 2.821 178.616 175.800 -0.009 0.000 1.090 81 F CA 1.335 59.331 58.000 -0.005 0.000 1.293 81 F CB -0.490 38.504 39.000 -0.011 0.000 1.013 81 F HN 0.121 nan 8.300 nan 0.000 0.486 82 R N 0.263 120.858 120.500 0.158 0.000 2.055 82 R HA -0.092 4.248 4.340 -0.000 0.000 0.226 82 R C 2.540 178.874 176.300 0.057 0.000 1.135 82 R CA 1.129 57.281 56.100 0.086 0.000 0.959 82 R CB -0.217 30.117 30.300 0.057 0.000 0.854 82 R HN 0.141 nan 8.270 nan 0.000 0.431 83 R N 0.628 121.152 120.500 0.040 0.000 2.073 83 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 83 R C 1.619 177.947 176.300 0.046 0.000 1.134 83 R CA 2.078 58.197 56.100 0.031 0.000 0.952 83 R CB -0.057 30.251 30.300 0.013 0.000 0.850 83 R HN 0.351 nan 8.270 nan 0.000 0.433 84 E N -0.722 119.512 120.200 0.056 0.000 2.190 84 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 84 E C 0.871 177.527 176.600 0.094 0.000 0.978 84 E CA 1.003 57.453 56.400 0.082 0.000 0.839 84 E CB 0.213 29.972 29.700 0.098 0.000 0.787 84 E HN 0.546 nan 8.360 nan 0.000 0.473 85 N N -0.757 118.005 118.700 0.102 0.000 2.171 85 N HA 0.125 4.865 4.740 -0.000 0.000 0.212 85 N C 0.533 176.050 175.510 0.012 0.000 1.184 85 N CA 0.309 53.410 53.050 0.086 0.000 0.888 85 N CB 1.687 40.275 38.487 0.168 0.000 1.038 85 N HN 0.116 nan 8.380 nan 0.000 0.517 86 G N 1.021 109.838 108.800 0.027 0.000 2.225 86 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.267 86 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.267 86 G C -0.444 174.447 174.900 -0.015 0.000 1.024 86 G CA 0.007 45.106 45.100 -0.001 0.000 0.784 86 G HN 0.112 nan 8.290 nan 0.000 0.507 87 L N 1.114 122.347 121.223 0.016 0.000 2.276 87 L HA 0.551 4.891 4.340 -0.000 0.000 0.286 87 L C 0.845 177.723 176.870 0.013 0.000 1.061 87 L CA -0.244 54.593 54.840 -0.005 0.000 0.807 87 L CB 1.733 43.787 42.059 -0.008 0.000 1.177 87 L HN 0.079 nan 8.230 nan 0.000 0.429 88 S N 3.142 118.838 115.700 -0.007 0.000 2.955 88 S HA 0.444 4.914 4.470 -0.000 0.000 0.294 88 S C -0.136 174.461 174.600 -0.005 0.000 1.198 88 S CA -0.543 57.658 58.200 0.002 0.000 1.008 88 S CB -0.164 63.035 63.200 -0.002 0.000 1.279 88 S HN 0.418 nan 8.310 nan 0.000 0.508 89 V N 0.705 120.625 119.914 0.009 0.000 2.914 89 V HA 0.877 4.997 4.120 -0.000 0.000 0.314 89 V C 0.159 176.265 176.094 0.019 0.000 1.084 89 V CA -1.022 61.277 62.300 -0.000 0.000 0.963 89 V CB 1.575 33.382 31.823 -0.025 0.000 1.025 89 V HN 0.552 nan 8.190 nan 0.000 0.432 90 T N -0.217 114.342 114.554 0.008 0.000 2.936 90 T HA 0.592 4.942 4.350 -0.000 0.000 0.282 90 T C -1.974 172.736 174.700 0.016 0.000 1.003 90 T CA -1.899 60.207 62.100 0.011 0.000 1.005 90 T CB 1.492 70.361 68.868 0.002 0.000 1.097 90 T HN 0.503 nan 8.240 nan 0.000 0.532 91 P HA -0.035 nan 4.420 nan 0.000 0.219 91 P C 0.947 178.251 177.300 0.007 0.000 1.146 91 P CA 0.912 64.018 63.100 0.009 0.000 0.808 91 P CB 0.018 31.716 31.700 -0.003 0.000 0.779 92 E N -0.607 119.594 120.200 0.002 0.000 2.427 92 E HA -0.093 4.257 4.350 -0.000 0.000 0.196 92 E C 0.840 177.436 176.600 -0.007 0.000 1.028 92 E CA 0.690 57.089 56.400 -0.002 0.000 0.864 92 E CB -0.536 29.162 29.700 -0.004 0.000 0.813 92 E HN 0.426 nan 8.360 nan 0.000 0.514 93 E N -0.164 120.031 120.200 -0.008 0.000 2.423 93 E HA 0.144 4.494 4.350 -0.000 0.000 0.198 93 E C -0.434 176.148 176.600 -0.029 0.000 1.038 93 E CA -0.008 56.376 56.400 -0.027 0.000 1.011 93 E CB 0.785 30.462 29.700 -0.038 0.000 1.118 93 E HN -0.102 nan 8.360 nan 0.000 0.451 94 T N 0.732 115.292 114.554 0.010 0.000 2.893 94 T HA 0.622 4.972 4.350 -0.000 0.000 0.291 94 T C -1.239 173.494 174.700 0.054 0.000 1.028 94 T CA -0.492 61.645 62.100 0.061 0.000 0.995 94 T CB 1.506 70.437 68.868 0.106 0.000 1.051 94 T HN 0.090 nan 8.240 nan 0.000 0.470 95 I N 2.438 123.064 120.570 0.093 0.000 2.752 95 I HA 0.620 4.790 4.170 -0.000 0.000 0.295 95 I C -1.493 174.701 176.117 0.128 0.000 1.219 95 I CA -0.840 60.505 61.300 0.076 0.000 1.030 95 I CB 1.768 39.794 38.000 0.043 0.000 1.259 95 I HN 0.350 nan 8.210 nan 0.000 0.423 96 V N 5.399 125.371 119.914 0.097 0.000 2.472 96 V HA 0.646 4.766 4.120 -0.000 0.000 0.290 96 V C 0.232 176.385 176.094 0.098 0.000 1.037 96 V CA -0.195 62.181 62.300 0.126 0.000 0.908 96 V CB 1.482 33.348 31.823 0.073 0.000 0.985 96 V HN 0.862 nan 8.190 nan 0.000 0.454 97 T N 0.461 115.078 114.554 0.104 0.000 2.864 97 T HA 0.564 4.914 4.350 -0.000 0.000 0.289 97 T C -0.477 174.264 174.700 0.068 0.000 1.082 97 T CA -0.764 61.381 62.100 0.076 0.000 1.009 97 T CB 1.679 70.588 68.868 0.068 0.000 1.234 97 T HN 0.181 nan 8.240 nan 0.000 0.526 98 V N 2.154 122.103 119.914 0.058 0.000 2.149 98 V HA 0.542 4.662 4.120 -0.000 0.000 0.245 98 V C 1.295 177.415 176.094 0.045 0.000 1.349 98 V CA 0.806 63.138 62.300 0.053 0.000 1.289 98 V CB -1.182 30.662 31.823 0.036 0.000 1.401 98 V HN 1.493 nan 8.190 nan 0.000 0.501 99 G N 3.612 112.437 108.800 0.040 0.000 2.758 99 G HA2 0.003 3.963 3.960 -0.000 0.000 0.686 99 G HA3 0.003 3.963 3.960 -0.000 0.000 0.686 99 G C 0.731 175.630 174.900 -0.002 0.000 1.389 99 G CA -0.345 44.766 45.100 0.018 0.000 0.845 99 G HN 0.946 nan 8.290 nan 0.000 0.572 100 G N -0.179 108.591 108.800 -0.050 0.000 2.470 100 G HA2 0.125 4.085 3.960 -0.000 0.000 0.220 100 G HA3 0.125 4.085 3.960 -0.000 0.000 0.220 100 G C 2.215 177.157 174.900 0.070 0.000 1.121 100 G CA 2.027 47.096 45.100 -0.052 0.000 0.766 100 G HN 2.079 nan 8.290 nan 0.000 0.553 101 S N -0.139 115.643 115.700 0.137 0.000 2.382 101 S HA -0.166 4.304 4.470 -0.000 0.000 0.228 101 S C 2.134 176.849 174.600 0.192 0.000 1.027 101 S CA 1.494 59.844 58.200 0.250 0.000 0.991 101 S CB -0.325 63.025 63.200 0.250 0.000 0.823 101 S HN 0.500 nan 8.310 nan 0.000 0.469 102 Q N 0.927 120.798 119.800 0.118 0.000 2.245 102 Q HA 0.101 4.441 4.340 -0.000 0.000 0.201 102 Q C 2.235 178.327 176.000 0.154 0.000 0.955 102 Q CA 0.891 56.772 55.803 0.129 0.000 0.870 102 Q CB -0.419 28.359 28.738 0.068 0.000 0.945 102 Q HN 0.723 nan 8.270 nan 0.000 0.461 103 A N 0.742 123.618 122.820 0.093 0.000 1.902 103 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 103 A C 1.975 179.557 177.584 -0.002 0.000 1.181 103 A CA 1.038 53.100 52.037 0.041 0.000 0.623 103 A CB -0.576 18.433 19.000 0.016 0.000 0.818 103 A HN 0.412 nan 8.150 nan 0.000 0.443 104 L N -2.267 118.986 121.223 0.051 0.000 2.056 104 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 104 L C 2.449 179.316 176.870 -0.004 0.000 1.078 104 L CA 1.477 56.295 54.840 -0.036 0.000 0.749 104 L CB -0.520 41.688 42.059 0.249 0.000 0.901 104 L HN 0.509 nan 8.230 nan 0.000 0.433 105 F N 1.362 121.360 119.950 0.081 0.000 2.075 105 F HA -0.253 4.274 4.527 -0.000 0.000 0.297 105 F C 2.332 178.183 175.800 0.084 0.000 1.113 105 F CA 1.814 59.899 58.000 0.143 0.000 1.218 105 F CB -0.244 38.807 39.000 0.085 0.000 0.984 105 F HN 0.093 nan 8.300 nan 0.000 0.472 106 N N 0.852 119.657 118.700 0.175 0.000 2.166 106 N HA -0.204 4.536 4.740 -0.000 0.000 0.186 106 N C 2.022 177.466 175.510 -0.109 0.000 1.019 106 N CA 1.455 54.528 53.050 0.038 0.000 0.856 106 N CB -0.764 37.778 38.487 0.093 0.000 0.993 106 N HN 0.465 nan 8.380 nan 0.000 0.426 107 L N -0.506 120.600 121.223 -0.195 0.000 1.989 107 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 107 L C 1.625 178.307 176.870 -0.314 0.000 1.071 107 L CA 1.470 56.112 54.840 -0.331 0.000 0.749 107 L CB -0.244 41.510 42.059 -0.508 0.000 0.890 107 L HN -0.035 nan 8.230 nan 0.000 0.431 108 F N -0.070 119.810 119.950 -0.116 0.000 2.186 108 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 108 F C 2.749 178.452 175.800 -0.163 0.000 1.090 108 F CA 0.920 58.844 58.000 -0.126 0.000 1.307 108 F CB -0.857 38.077 39.000 -0.110 0.000 1.019 108 F HN 0.168 nan 8.300 nan 0.000 0.489 109 Q N -0.199 119.547 119.800 -0.089 0.000 2.224 109 Q HA -0.056 4.284 4.340 -0.000 0.000 0.203 109 Q C 2.385 178.347 176.000 -0.063 0.000 0.970 109 Q CA 1.307 57.031 55.803 -0.131 0.000 0.865 109 Q CB -0.610 27.983 28.738 -0.242 0.000 0.922 109 Q HN 0.436 nan 8.270 nan 0.000 0.445 110 A N 0.581 123.359 122.820 -0.069 0.000 2.081 110 A HA 0.024 4.344 4.320 -0.000 0.000 0.214 110 A C 1.840 179.399 177.584 -0.043 0.000 1.158 110 A CA 0.613 52.614 52.037 -0.060 0.000 0.724 110 A CB -0.130 18.817 19.000 -0.088 0.000 0.826 110 A HN 0.427 nan 8.150 nan 0.000 0.463 111 I N -4.026 116.527 120.570 -0.028 0.000 4.181 111 I HA 0.398 4.568 4.170 -0.000 0.000 0.331 111 I C -0.397 175.776 176.117 0.092 0.000 1.312 111 I CA -0.184 61.134 61.300 0.029 0.000 1.146 111 I CB 0.261 38.245 38.000 -0.025 0.000 1.074 111 I HN -0.092 nan 8.210 nan 0.000 0.402 112 L N 2.809 124.078 121.223 0.076 0.000 2.282 112 L HA 0.549 4.889 4.340 -0.000 0.000 0.288 112 L C -0.837 176.045 176.870 0.020 0.000 1.033 112 L CA -0.440 54.436 54.840 0.060 0.000 0.807 112 L CB 1.169 43.261 42.059 0.054 0.000 1.209 112 L HN 0.074 nan 8.230 nan 0.000 0.423 113 D N 3.449 123.859 120.400 0.017 0.000 2.268 113 D HA 0.357 4.997 4.640 -0.000 0.000 0.249 113 D C -2.388 173.903 176.300 -0.015 0.000 1.008 113 D CA -1.457 52.542 54.000 -0.001 0.000 0.939 113 D CB 1.891 42.695 40.800 0.007 0.000 1.170 113 D HN 0.173 nan 8.370 nan 0.000 0.468 114 P HA 0.120 nan 4.420 nan 0.000 0.264 114 P C 0.719 178.001 177.300 -0.029 0.000 1.193 114 P CA 0.707 63.785 63.100 -0.037 0.000 0.763 114 P CB 0.559 32.235 31.700 -0.041 0.000 0.810 115 G N 2.153 110.932 108.800 -0.035 0.000 2.234 115 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.235 115 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.235 115 G C 0.010 174.893 174.900 -0.028 0.000 0.997 115 G CA -0.371 44.711 45.100 -0.030 0.000 0.623 115 G HN 0.493 nan 8.290 nan 0.000 0.514 116 D N 1.846 122.232 120.400 -0.022 0.000 2.424 116 D HA 0.430 5.070 4.640 -0.000 0.000 0.244 116 D C 0.678 176.955 176.300 -0.039 0.000 1.134 116 D CA 0.466 54.457 54.000 -0.015 0.000 0.881 116 D CB 0.711 41.518 40.800 0.012 0.000 1.191 116 D HN 0.568 nan 8.370 nan 0.000 0.445 117 E N 0.339 120.510 120.200 -0.048 0.000 2.231 117 E HA 0.470 4.820 4.350 -0.000 0.000 0.277 117 E C -0.753 175.786 176.600 -0.101 0.000 0.999 117 E CA -0.806 55.546 56.400 -0.079 0.000 0.827 117 E CB 1.836 31.485 29.700 -0.085 0.000 1.101 117 E HN 0.055 nan 8.360 nan 0.000 0.393 118 V N 4.258 124.099 119.914 -0.123 0.000 2.483 118 V HA 0.304 4.424 4.120 -0.000 0.000 0.297 118 V C -0.278 175.732 176.094 -0.138 0.000 1.027 118 V CA -0.671 61.551 62.300 -0.130 0.000 0.855 118 V CB 1.363 33.090 31.823 -0.160 0.000 0.995 118 V HN 0.595 nan 8.190 nan 0.000 0.424 119 I N 5.159 125.640 120.570 -0.148 0.000 2.396 119 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 119 I C -0.279 175.803 176.117 -0.058 0.000 1.056 119 I CA -0.170 61.065 61.300 -0.108 0.000 1.365 119 I CB 1.263 39.180 38.000 -0.138 0.000 1.407 119 I HN 0.279 nan 8.210 nan 0.000 0.509 120 V N 7.414 127.315 119.914 -0.022 0.000 2.715 120 V HA 0.443 4.563 4.120 -0.000 0.000 0.310 120 V C -0.055 176.135 176.094 0.160 0.000 1.054 120 V CA -0.760 61.559 62.300 0.032 0.000 0.928 120 V CB 2.200 33.982 31.823 -0.068 0.000 1.007 120 V HN 0.453 nan 8.190 nan 0.000 0.437 121 L N 3.788 125.154 121.223 0.238 0.000 2.272 121 L HA 0.552 4.892 4.340 -0.000 0.000 0.289 121 L C 0.409 177.482 176.870 0.340 0.000 1.032 121 L CA -0.186 54.803 54.840 0.249 0.000 0.810 121 L CB 1.658 43.842 42.059 0.209 0.000 1.205 121 L HN 0.791 nan 8.230 nan 0.000 0.422 122 S N 2.859 118.709 115.700 0.250 0.000 2.585 122 S HA 0.622 5.092 4.470 -0.000 0.000 0.277 122 S C -2.631 171.968 174.600 -0.001 0.000 1.241 122 S CA -1.662 56.563 58.200 0.043 0.000 1.041 122 S CB 1.375 64.525 63.200 -0.084 0.000 0.987 122 S HN 0.271 nan 8.310 nan 0.000 0.512 123 P HA 0.280 nan 4.420 nan 0.000 0.271 123 P C -1.084 176.147 177.300 -0.116 0.000 1.216 123 P CA -0.141 62.759 63.100 -0.334 0.000 0.771 123 P CB 0.013 31.435 31.700 -0.464 0.000 0.864 124 Y N -0.004 120.388 120.300 0.153 0.000 2.598 124 Y HA 0.618 5.168 4.550 -0.000 0.000 0.340 124 Y C -0.558 175.528 175.900 0.310 0.000 1.038 124 Y CA -2.272 55.992 58.100 0.274 0.000 1.100 124 Y CB 0.117 38.782 38.460 0.340 0.000 1.281 124 Y HN 0.354 nan 8.280 nan 0.000 0.488 125 W N 2.873 124.296 121.300 0.206 0.000 2.251 125 W HA 0.309 4.968 4.660 -0.000 0.000 0.327 125 W C 0.682 177.111 176.519 -0.151 0.000 1.361 125 W CA -0.722 56.580 57.345 -0.072 0.000 1.234 125 W CB 0.843 29.984 29.460 -0.531 0.000 1.212 125 W HN 0.573 nan 8.180 nan 0.000 0.557 126 V N 4.339 123.937 119.914 -0.526 0.000 2.313 126 V HA -0.391 3.729 4.120 -0.000 0.000 0.253 126 V C 2.192 177.895 176.094 -0.650 0.000 1.070 126 V CA 2.683 64.595 62.300 -0.646 0.000 1.057 126 V CB -1.217 30.122 31.823 -0.807 0.000 0.653 126 V HN 0.757 nan 8.190 nan 0.000 0.450 127 S N -1.635 113.396 115.700 -1.116 0.000 2.423 127 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 127 S C 1.777 176.178 174.600 -0.332 0.000 1.014 127 S CA 1.123 58.826 58.200 -0.827 0.000 0.965 127 S CB -0.381 62.052 63.200 -1.278 0.000 0.785 127 S HN 0.605 nan 8.310 nan 0.000 0.495 128 Y N 1.481 121.669 120.300 -0.187 0.000 2.053 128 Y HA -0.087 4.463 4.550 -0.000 0.000 0.277 128 Y C -0.364 175.368 175.900 -0.280 0.000 1.159 128 Y CA 0.546 58.590 58.100 -0.093 0.000 1.125 128 Y CB -2.394 36.056 38.460 -0.016 0.000 0.969 128 Y HN 0.266 nan 8.280 nan 0.000 0.492 129 P HA -0.105 nan 4.420 nan 0.000 0.217 129 P C 1.521 178.713 177.300 -0.180 0.000 1.150 129 P CA 1.669 64.605 63.100 -0.274 0.000 0.832 129 P CB 0.091 31.583 31.700 -0.345 0.000 0.787 130 E N -0.764 119.346 120.200 -0.150 0.000 2.051 130 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 130 E C 2.004 178.597 176.600 -0.012 0.000 0.991 130 E CA 1.326 57.677 56.400 -0.082 0.000 0.799 130 E CB -0.774 28.852 29.700 -0.122 0.000 0.748 130 E HN 0.348 nan 8.360 nan 0.000 0.449 131 M N 0.045 119.633 119.600 -0.019 0.000 2.175 131 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 131 M C 2.368 178.601 176.300 -0.112 0.000 1.063 131 M CA 0.859 56.207 55.300 0.080 0.000 1.119 131 M CB -0.121 32.641 32.600 0.270 0.000 1.377 131 M HN -0.071 nan 8.290 nan 0.000 0.415 132 V N 0.273 119.960 119.914 -0.378 0.000 2.358 132 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 132 V C 2.288 178.254 176.094 -0.213 0.000 1.047 132 V CA 1.792 63.785 62.300 -0.512 0.000 1.035 132 V CB -0.642 30.842 31.823 -0.565 0.000 0.658 132 V HN 0.425 nan 8.190 nan 0.000 0.452 133 R N -1.114 119.314 120.500 -0.120 0.000 2.092 133 R HA -0.112 4.228 4.340 -0.000 0.000 0.231 133 R C 2.203 178.509 176.300 0.011 0.000 1.119 133 R CA 1.583 57.651 56.100 -0.052 0.000 0.970 133 R CB -0.443 29.838 30.300 -0.033 0.000 0.864 133 R HN 0.482 nan 8.270 nan 0.000 0.440 134 F N 1.084 120.994 119.950 -0.067 0.000 2.269 134 F HA -0.116 4.411 4.527 -0.000 0.000 0.301 134 F C 1.894 177.668 175.800 -0.043 0.000 1.082 134 F CA 1.228 59.218 58.000 -0.017 0.000 1.360 134 F CB 0.047 39.087 39.000 0.066 0.000 1.041 134 F HN -0.032 nan 8.300 nan 0.000 0.512 135 A N -0.688 122.137 122.820 0.008 0.000 2.275 135 A HA 0.432 4.752 4.320 -0.000 0.000 0.212 135 A C 1.754 179.282 177.584 -0.094 0.000 1.201 135 A CA 0.634 52.630 52.037 -0.068 0.000 0.843 135 A CB -1.124 17.854 19.000 -0.036 0.000 0.873 135 A HN 0.817 nan 8.150 nan 0.000 0.492 136 G N -1.685 107.052 108.800 -0.105 0.000 2.141 136 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.242 136 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.242 136 G C 0.687 175.541 174.900 -0.076 0.000 0.982 136 G CA 0.277 45.322 45.100 -0.092 0.000 0.662 136 G HN 1.334 nan 8.290 nan 0.000 0.527 137 G N -1.255 107.491 108.800 -0.089 0.000 2.562 137 G HA2 0.631 4.591 3.960 -0.000 0.000 0.275 137 G HA3 0.631 4.591 3.960 -0.000 0.000 0.275 137 G C -0.196 174.645 174.900 -0.098 0.000 1.196 137 G CA 0.033 45.075 45.100 -0.096 0.000 0.908 137 G HN 0.947 nan 8.290 nan 0.000 0.524 138 V N 0.526 120.385 119.914 -0.092 0.000 2.384 138 V HA 0.272 4.392 4.120 -0.000 0.000 0.287 138 V C 0.131 176.164 176.094 -0.102 0.000 1.020 138 V CA -0.673 61.578 62.300 -0.083 0.000 0.850 138 V CB 1.473 33.260 31.823 -0.061 0.000 0.987 138 V HN 0.474 nan 8.190 nan 0.000 0.436 139 V N 5.965 125.817 119.914 -0.103 0.000 2.488 139 V HA 0.301 4.421 4.120 -0.000 0.000 0.277 139 V C 0.028 176.079 176.094 -0.071 0.000 1.046 139 V CA -0.190 62.041 62.300 -0.115 0.000 0.986 139 V CB 1.613 33.354 31.823 -0.137 0.000 0.989 139 V HN 0.618 nan 8.190 nan 0.000 0.475 140 V N 5.139 125.012 119.914 -0.069 0.000 2.349 140 V HA 0.335 4.455 4.120 -0.000 0.000 0.284 140 V C 0.104 176.193 176.094 -0.009 0.000 1.014 140 V CA -0.599 61.678 62.300 -0.038 0.000 0.826 140 V CB 1.432 33.219 31.823 -0.060 0.000 1.009 140 V HN 0.935 nan 8.190 nan 0.000 0.431 141 E N 3.632 123.856 120.200 0.041 0.000 2.283 141 E HA 0.564 4.914 4.350 -0.000 0.000 0.278 141 E C -1.403 175.251 176.600 0.089 0.000 1.027 141 E CA -0.331 56.132 56.400 0.105 0.000 0.843 141 E CB 1.782 31.594 29.700 0.186 0.000 1.062 141 E HN 0.458 nan 8.360 nan 0.000 0.401 142 V N 4.916 124.892 119.914 0.104 0.000 2.531 142 V HA 0.161 4.281 4.120 -0.000 0.000 0.301 142 V C -0.340 175.818 176.094 0.105 0.000 1.034 142 V CA -0.755 61.593 62.300 0.079 0.000 0.865 142 V CB 1.648 33.502 31.823 0.052 0.000 0.995 142 V HN 0.768 nan 8.190 nan 0.000 0.424 143 E N 2.787 123.043 120.200 0.093 0.000 2.277 143 E HA 0.604 4.954 4.350 -0.000 0.000 0.274 143 E C -0.428 176.229 176.600 0.094 0.000 1.022 143 E CA -0.565 55.897 56.400 0.103 0.000 0.853 143 E CB 1.777 31.539 29.700 0.103 0.000 1.086 143 E HN 0.645 nan 8.360 nan 0.000 0.397 144 T N 1.015 115.649 114.554 0.133 0.000 2.859 144 T HA 0.521 4.871 4.350 -0.000 0.000 0.281 144 T C -0.004 174.799 174.700 0.171 0.000 1.005 144 T CA -0.960 61.225 62.100 0.142 0.000 1.025 144 T CB 0.727 69.713 68.868 0.198 0.000 0.977 144 T HN 0.431 nan 8.240 nan 0.000 0.458 145 L N 3.635 124.870 121.223 0.021 0.000 2.322 145 L HA 0.384 4.724 4.340 -0.000 0.000 0.279 145 L C -1.678 174.894 176.870 -0.496 0.000 1.036 145 L CA -2.753 52.011 54.840 -0.126 0.000 0.807 145 L CB 1.906 43.913 42.059 -0.086 0.000 1.226 145 L HN 0.414 nan 8.230 nan 0.000 0.433 146 P HA -0.182 nan 4.420 nan 0.000 0.218 146 P C 1.067 178.063 177.300 -0.507 0.000 1.148 146 P CA 0.994 63.434 63.100 -1.100 0.000 0.822 146 P CB 0.155 31.530 31.700 -0.541 0.000 0.784 147 E N 0.322 120.352 120.200 -0.282 0.000 2.347 147 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 147 E C 0.798 177.317 176.600 -0.134 0.000 1.008 147 E CA 1.068 57.374 56.400 -0.156 0.000 0.852 147 E CB -0.628 29.016 29.700 -0.093 0.000 0.783 147 E HN 0.395 nan 8.360 nan 0.000 0.505 148 E N 0.306 120.408 120.200 -0.164 0.000 2.499 148 E HA 0.227 4.577 4.350 -0.000 0.000 0.199 148 E C 0.348 176.892 176.600 -0.094 0.000 1.016 148 E CA 0.097 56.436 56.400 -0.103 0.000 0.933 148 E CB 0.619 30.272 29.700 -0.078 0.000 1.050 148 E HN 0.402 nan 8.360 nan 0.000 0.462 149 G N 1.152 109.859 108.800 -0.155 0.000 2.225 149 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.267 149 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.267 149 G C 0.353 175.299 174.900 0.077 0.000 1.024 149 G CA 0.254 45.315 45.100 -0.066 0.000 0.784 149 G HN 0.400 nan 8.290 nan 0.000 0.507 150 F N -3.705 116.258 119.950 0.022 0.000 3.084 150 F HA -0.219 4.308 4.527 -0.000 0.000 0.286 150 F C 1.052 176.871 175.800 0.030 0.000 0.855 150 F CA 0.666 58.682 58.000 0.028 0.000 1.091 150 F CB -1.863 37.164 39.000 0.044 0.000 1.177 150 F HN 0.329 nan 8.300 nan 0.000 0.542 151 V N 2.453 122.414 119.914 0.077 0.000 2.407 151 V HA 0.373 4.493 4.120 -0.000 0.000 0.278 151 V C -1.368 174.597 176.094 -0.215 0.000 1.037 151 V CA -1.628 60.583 62.300 -0.148 0.000 0.900 151 V CB 1.509 33.296 31.823 -0.061 0.000 0.983 151 V HN -0.109 nan 8.190 nan 0.000 0.459 152 P HA 0.071 nan 4.420 nan 0.000 0.269 152 P C -0.957 176.263 177.300 -0.133 0.000 1.209 152 P CA -0.098 62.878 63.100 -0.206 0.000 0.776 152 P CB 0.823 32.384 31.700 -0.231 0.000 0.876 153 D N 3.099 123.459 120.400 -0.067 0.000 2.373 153 D HA 0.224 4.864 4.640 -0.000 0.000 0.227 153 D C -1.749 174.537 176.300 -0.024 0.000 1.091 153 D CA -2.625 51.349 54.000 -0.042 0.000 0.840 153 D CB 0.819 41.603 40.800 -0.026 0.000 1.060 153 D HN 0.018 nan 8.370 nan 0.000 0.502 154 P HA -0.145 nan 4.420 nan 0.000 0.220 154 P C 0.903 178.211 177.300 0.014 0.000 1.144 154 P CA 0.788 63.891 63.100 0.005 0.000 0.800 154 P CB 0.480 32.184 31.700 0.007 0.000 0.772 155 E N -0.584 119.619 120.200 0.005 0.000 2.106 155 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 155 E C 2.024 178.628 176.600 0.007 0.000 0.984 155 E CA 1.134 57.538 56.400 0.008 0.000 0.806 155 E CB -0.405 29.297 29.700 0.004 0.000 0.750 155 E HN 0.135 nan 8.360 nan 0.000 0.458 156 R N -0.552 119.951 120.500 0.004 0.000 2.115 156 R HA -0.011 4.329 4.340 -0.000 0.000 0.226 156 R C 2.244 178.547 176.300 0.006 0.000 1.100 156 R CA 1.021 57.125 56.100 0.006 0.000 0.980 156 R CB -0.091 30.214 30.300 0.008 0.000 0.875 156 R HN 0.090 nan 8.270 nan 0.000 0.445 157 V N 1.012 120.932 119.914 0.010 0.000 2.358 157 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 157 V C 2.514 178.607 176.094 -0.001 0.000 1.047 157 V CA 1.397 63.705 62.300 0.013 0.000 1.035 157 V CB -0.582 31.263 31.823 0.037 0.000 0.658 157 V HN 0.266 nan 8.190 nan 0.000 0.452 158 R N 0.773 121.276 120.500 0.005 0.000 2.091 158 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 158 R C 2.422 178.691 176.300 -0.052 0.000 1.136 158 R CA 1.708 57.794 56.100 -0.023 0.000 0.959 158 R CB -0.347 29.960 30.300 0.011 0.000 0.856 158 R HN 0.477 nan 8.270 nan 0.000 0.437 159 R N -0.492 119.993 120.500 -0.026 0.000 2.193 159 R HA -0.070 4.270 4.340 -0.000 0.000 0.229 159 R C 1.899 178.176 176.300 -0.038 0.000 1.110 159 R CA 1.151 57.236 56.100 -0.026 0.000 0.988 159 R CB -0.147 30.147 30.300 -0.010 0.000 0.871 159 R HN 0.179 nan 8.270 nan 0.000 0.458 160 A N 0.734 123.524 122.820 -0.049 0.000 2.275 160 A HA 0.155 4.475 4.320 -0.000 0.000 0.212 160 A C 0.834 178.356 177.584 -0.104 0.000 1.201 160 A CA -0.115 51.885 52.037 -0.062 0.000 0.843 160 A CB 0.122 19.090 19.000 -0.053 0.000 0.873 160 A HN 0.070 nan 8.150 nan 0.000 0.492 161 I N 1.826 122.319 120.570 -0.128 0.000 2.416 161 I HA 0.248 4.418 4.170 -0.000 0.000 0.288 161 I C 0.781 176.832 176.117 -0.110 0.000 1.051 161 I CA 0.105 61.304 61.300 -0.169 0.000 1.375 161 I CB 1.249 39.088 38.000 -0.267 0.000 1.407 161 I HN 0.329 nan 8.210 nan 0.000 0.516 162 T N 2.467 116.972 114.554 -0.083 0.000 2.864 162 T HA 0.439 4.789 4.350 -0.000 0.000 0.289 162 T C -2.317 172.382 174.700 -0.001 0.000 1.082 162 T CA -1.744 60.335 62.100 -0.035 0.000 1.009 162 T CB 1.810 70.656 68.868 -0.037 0.000 1.234 162 T HN 0.189 nan 8.240 nan 0.000 0.526 163 P HA 0.081 nan 4.420 nan 0.000 0.225 163 P C 1.195 178.511 177.300 0.028 0.000 1.148 163 P CA 0.485 63.607 63.100 0.037 0.000 0.779 163 P CB 0.143 31.860 31.700 0.029 0.000 0.780 164 R N -1.729 118.772 120.500 0.003 0.000 2.300 164 R HA 0.145 4.485 4.340 -0.000 0.000 0.199 164 R C 0.335 176.622 176.300 -0.022 0.000 0.920 164 R CA 0.374 56.471 56.100 -0.005 0.000 1.046 164 R CB -0.944 29.345 30.300 -0.018 0.000 0.984 164 R HN 0.170 nan 8.270 nan 0.000 0.493 165 T N 2.127 116.652 114.554 -0.050 0.000 2.829 165 T HA 0.032 4.382 4.350 -0.000 0.000 0.293 165 T C 1.204 175.871 174.700 -0.055 0.000 0.970 165 T CA 0.371 62.386 62.100 -0.141 0.000 1.168 165 T CB 1.257 69.927 68.868 -0.330 0.000 0.911 165 T HN -0.126 nan 8.240 nan 0.000 0.535 166 K N 1.147 121.525 120.400 -0.037 0.000 2.329 166 K HA 0.453 4.773 4.320 -0.000 0.000 0.198 166 K C 0.538 177.256 176.600 0.197 0.000 1.085 166 K CA 0.266 56.618 56.287 0.107 0.000 0.961 166 K CB 0.698 33.275 32.500 0.129 0.000 0.971 166 K HN 0.745 nan 8.250 nan 0.000 0.502 167 A N 0.566 123.414 122.820 0.047 0.000 2.610 167 A HA 0.623 4.943 4.320 -0.000 0.000 0.291 167 A C -2.022 175.520 177.584 -0.069 0.000 1.086 167 A CA -0.706 51.415 52.037 0.140 0.000 0.677 167 A CB 1.273 20.442 19.000 0.281 0.000 1.278 167 A HN 0.050 nan 8.150 nan 0.000 0.414 168 L N 1.131 122.400 121.223 0.077 0.000 2.406 168 L HA 0.725 5.065 4.340 -0.000 0.000 0.272 168 L C -1.373 175.560 176.870 0.105 0.000 0.980 168 L CA -0.385 54.482 54.840 0.045 0.000 0.831 168 L CB 1.864 44.022 42.059 0.165 0.000 1.253 168 L HN 0.491 nan 8.230 nan 0.000 0.406 169 V N 5.811 125.745 119.914 0.032 0.000 2.407 169 V HA 0.594 4.714 4.120 -0.000 0.000 0.278 169 V C -0.214 175.896 176.094 0.027 0.000 1.037 169 V CA -0.525 61.755 62.300 -0.032 0.000 0.900 169 V CB 1.491 33.155 31.823 -0.265 0.000 0.983 169 V HN 0.566 nan 8.190 nan 0.000 0.459 170 V N 4.766 124.728 119.914 0.080 0.000 2.604 170 V HA 0.486 4.606 4.120 -0.000 0.000 0.305 170 V C -0.113 176.078 176.094 0.160 0.000 1.043 170 V CA -0.675 61.740 62.300 0.193 0.000 0.888 170 V CB 1.930 33.896 31.823 0.239 0.000 0.995 170 V HN 0.948 nan 8.190 nan 0.000 0.429 171 N N 2.366 121.185 118.700 0.198 0.000 2.617 171 N HA 0.393 5.133 4.740 -0.000 0.000 0.263 171 N C -1.407 174.032 175.510 -0.118 0.000 1.074 171 N CA 0.036 53.160 53.050 0.123 0.000 0.841 171 N CB 1.292 39.957 38.487 0.297 0.000 1.221 171 N HN 0.636 nan 8.380 nan 0.000 0.529 172 S N 3.663 119.261 115.700 -0.169 0.000 2.614 172 S HA 0.512 4.982 4.470 -0.000 0.000 0.288 172 S C -2.847 171.740 174.600 -0.022 0.000 1.137 172 S CA -1.124 56.872 58.200 -0.340 0.000 0.992 172 S CB 1.458 64.290 63.200 -0.613 0.000 1.026 172 S HN 0.341 nan 8.310 nan 0.000 0.486 173 P HA 0.122 nan 4.420 nan 0.000 0.268 173 P C -0.697 176.505 177.300 -0.163 0.000 1.205 173 P CA -0.217 62.796 63.100 -0.145 0.000 0.771 173 P CB 0.376 31.991 31.700 -0.142 0.000 0.858 174 N N 3.032 121.598 118.700 -0.223 0.000 2.518 174 N HA 0.081 4.821 4.740 -0.000 0.000 0.283 174 N C -0.722 174.662 175.510 -0.210 0.000 1.119 174 N CA -0.065 52.890 53.050 -0.159 0.000 0.983 174 N CB 0.299 38.728 38.487 -0.096 0.000 1.139 174 N HN 0.285 nan 8.380 nan 0.000 0.465 175 N N 3.386 121.992 118.700 -0.157 0.000 2.407 175 N HA 0.351 5.091 4.740 -0.000 0.000 0.277 175 N C -2.186 173.228 175.510 -0.160 0.000 0.995 175 N CA -2.018 50.872 53.050 -0.265 0.000 0.903 175 N CB 1.926 40.288 38.487 -0.209 0.000 1.218 175 N HN 0.370 nan 8.380 nan 0.000 0.487 176 P HA 0.081 nan 4.420 nan 0.000 0.261 176 P C 0.826 177.870 177.300 -0.427 0.000 1.268 176 P CA 0.406 63.133 63.100 -0.622 0.000 0.833 176 P CB 0.263 31.342 31.700 -1.035 0.000 1.231 177 T N -3.937 110.393 114.554 -0.372 0.000 2.951 177 T HA 0.132 4.482 4.350 -0.000 0.000 0.268 177 T C 1.719 176.372 174.700 -0.079 0.000 1.073 177 T CA 1.401 63.306 62.100 -0.325 0.000 1.134 177 T CB -1.246 67.344 68.868 -0.464 0.000 0.884 177 T HN 0.191 nan 8.240 nan 0.000 0.479 178 G N 1.301 110.054 108.800 -0.078 0.000 2.179 178 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.260 178 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.260 178 G C 0.293 175.204 174.900 0.018 0.000 0.977 178 G CA 0.093 45.173 45.100 -0.032 0.000 0.641 178 G HN 1.256 nan 8.290 nan 0.000 0.533 179 A N -0.439 122.412 122.820 0.053 0.000 2.425 179 A HA 0.665 4.985 4.320 -0.000 0.000 0.249 179 A C 0.338 177.932 177.584 0.016 0.000 1.084 179 A CA 0.414 52.533 52.037 0.137 0.000 0.781 179 A CB 1.106 20.306 19.000 0.332 0.000 1.019 179 A HN 1.150 nan 8.150 nan 0.000 0.490 180 V N 3.760 123.725 119.914 0.085 0.000 2.409 180 V HA 0.277 4.397 4.120 -0.000 0.000 0.291 180 V C -1.119 175.096 176.094 0.202 0.000 1.020 180 V CA -0.553 61.765 62.300 0.031 0.000 0.848 180 V CB 0.854 32.708 31.823 0.052 0.000 0.990 180 V HN 0.700 nan 8.190 nan 0.000 0.430 181 Y N 6.340 126.690 120.300 0.083 0.000 2.335 181 Y HA 0.380 4.930 4.550 -0.000 0.000 0.331 181 Y C -1.586 174.338 175.900 0.040 0.000 1.094 181 Y CA -3.575 54.564 58.100 0.065 0.000 1.253 181 Y CB -0.020 38.484 38.460 0.074 0.000 1.203 181 Y HN 0.438 nan 8.280 nan 0.000 0.508 182 P HA 0.029 nan 4.420 nan 0.000 0.269 182 P C 0.398 177.680 177.300 -0.030 0.000 1.215 182 P CA -0.306 62.825 63.100 0.051 0.000 0.780 182 P CB 1.189 32.901 31.700 0.020 0.000 0.898 183 K N 1.663 121.961 120.400 -0.171 0.000 2.147 183 K HA -0.201 4.119 4.320 -0.000 0.000 0.205 183 K C 1.132 177.447 176.600 -0.475 0.000 1.049 183 K CA 1.609 57.570 56.287 -0.544 0.000 0.936 183 K CB -0.314 31.649 32.500 -0.895 0.000 0.722 183 K HN 0.168 nan 8.250 nan 0.000 0.446 184 E N 1.151 121.197 120.200 -0.256 0.000 2.110 184 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 184 E C 2.030 178.565 176.600 -0.108 0.000 0.988 184 E CA 1.189 57.485 56.400 -0.173 0.000 0.804 184 E CB -0.183 29.453 29.700 -0.107 0.000 0.745 184 E HN 0.133 nan 8.360 nan 0.000 0.458 185 V N 0.495 120.366 119.914 -0.071 0.000 2.307 185 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 185 V C 1.994 178.093 176.094 0.009 0.000 1.045 185 V CA 1.091 63.372 62.300 -0.032 0.000 1.024 185 V CB -0.338 31.462 31.823 -0.037 0.000 0.651 185 V HN 0.239 nan 8.190 nan 0.000 0.449 186 L N 0.018 121.267 121.223 0.043 0.000 2.083 186 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 186 L C 2.446 179.394 176.870 0.130 0.000 1.083 186 L CA 1.735 56.663 54.840 0.147 0.000 0.752 186 L CB -1.261 40.971 42.059 0.289 0.000 0.899 186 L HN 0.444 nan 8.230 nan 0.000 0.433 187 E N -0.839 119.369 120.200 0.014 0.000 2.072 187 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 187 E C 2.240 178.851 176.600 0.018 0.000 0.985 187 E CA 1.073 57.491 56.400 0.030 0.000 0.801 187 E CB -0.138 29.512 29.700 -0.083 0.000 0.750 187 E HN 0.481 nan 8.360 nan 0.000 0.452 188 A N 1.171 123.990 122.820 -0.002 0.000 1.933 188 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 188 A C 2.168 179.769 177.584 0.029 0.000 1.175 188 A CA 1.060 53.099 52.037 0.004 0.000 0.628 188 A CB -0.550 18.448 19.000 -0.004 0.000 0.814 188 A HN 0.130 nan 8.150 nan 0.000 0.444 189 L N -1.052 120.204 121.223 0.055 0.000 2.109 189 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 189 L C 3.037 179.947 176.870 0.067 0.000 1.086 189 L CA 0.859 55.753 54.840 0.091 0.000 0.760 189 L CB -0.533 41.600 42.059 0.123 0.000 0.910 189 L HN 0.424 nan 8.230 nan 0.000 0.437 190 A N 0.089 122.939 122.820 0.050 0.000 1.930 190 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 190 A C 2.438 179.959 177.584 -0.106 0.000 1.175 190 A CA 1.465 53.500 52.037 -0.003 0.000 0.627 190 A CB -0.505 18.522 19.000 0.045 0.000 0.815 190 A HN 0.305 nan 8.150 nan 0.000 0.443 191 R N -0.471 119.987 120.500 -0.070 0.000 2.092 191 R HA -0.012 4.328 4.340 -0.000 0.000 0.231 191 R C 1.898 178.115 176.300 -0.138 0.000 1.119 191 R CA 1.209 57.244 56.100 -0.108 0.000 0.970 191 R CB -0.332 29.934 30.300 -0.056 0.000 0.864 191 R HN 0.543 nan 8.270 nan 0.000 0.440 192 L N -0.121 121.065 121.223 -0.062 0.000 2.056 192 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 192 L C 2.639 179.331 176.870 -0.298 0.000 1.078 192 L CA 1.218 56.078 54.840 0.034 0.000 0.749 192 L CB -0.509 41.669 42.059 0.199 0.000 0.901 192 L HN 0.285 nan 8.230 nan 0.000 0.433 193 A N -0.390 122.071 122.820 -0.598 0.000 1.902 193 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 193 A C 2.324 179.413 177.584 -0.825 0.000 1.181 193 A CA 1.781 53.108 52.037 -1.184 0.000 0.623 193 A CB -0.740 17.915 19.000 -0.575 0.000 0.818 193 A HN 0.198 nan 8.150 nan 0.000 0.443 194 V N -0.202 119.282 119.914 -0.716 0.000 2.323 194 V HA -0.226 3.894 4.120 -0.000 0.000 0.244 194 V C 2.393 178.239 176.094 -0.413 0.000 1.041 194 V CA 2.216 64.052 62.300 -0.773 0.000 1.025 194 V CB -0.769 30.706 31.823 -0.581 0.000 0.656 194 V HN 0.633 nan 8.190 nan 0.000 0.451 195 E N -0.596 119.382 120.200 -0.371 0.000 2.106 195 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 195 E C 1.804 178.104 176.600 -0.500 0.000 0.984 195 E CA 1.438 57.596 56.400 -0.403 0.000 0.806 195 E CB -0.073 29.356 29.700 -0.452 0.000 0.750 195 E HN 0.762 nan 8.360 nan 0.000 0.458 196 H N -0.599 118.363 119.070 -0.179 0.000 2.586 196 H HA 0.090 4.645 4.556 -0.000 0.000 0.273 196 H C -0.370 174.941 175.328 -0.027 0.000 0.997 196 H CA 0.162 56.185 56.048 -0.042 0.000 1.177 196 H CB 0.603 30.456 29.762 0.151 0.000 1.471 196 H HN -0.043 nan 8.280 nan 0.000 0.538 197 D N 0.561 120.908 120.400 -0.089 0.000 2.760 197 D HA -0.193 4.447 4.640 -0.000 0.000 0.244 197 D C -0.983 175.342 176.300 0.042 0.000 1.123 197 D CA 0.707 54.707 54.000 -0.001 0.000 0.719 197 D CB -1.336 39.477 40.800 0.022 0.000 1.045 197 D HN 0.422 nan 8.370 nan 0.000 0.426 198 F N -1.361 118.623 119.950 0.055 0.000 2.675 198 F HA 0.722 5.249 4.527 -0.000 0.000 0.324 198 F C -0.738 175.046 175.800 -0.027 0.000 1.106 198 F CA -1.539 56.430 58.000 -0.052 0.000 0.970 198 F CB 0.504 39.524 39.000 0.033 0.000 1.385 198 F HN -0.196 nan 8.300 nan 0.000 0.489 199 Y N 1.837 122.401 120.300 0.439 0.000 2.299 199 Y HA 0.462 5.012 4.550 -0.000 0.000 0.326 199 Y C 0.061 176.173 175.900 0.354 0.000 1.164 199 Y CA -0.915 57.354 58.100 0.281 0.000 1.234 199 Y CB 1.037 39.589 38.460 0.152 0.000 1.219 199 Y HN 0.522 nan 8.280 nan 0.000 0.497 200 L N 4.796 126.261 121.223 0.404 0.000 2.280 200 L HA 0.479 4.819 4.340 -0.000 0.000 0.287 200 L C -1.266 175.715 176.870 0.185 0.000 1.023 200 L CA -0.736 54.280 54.840 0.293 0.000 0.819 200 L CB 0.874 43.059 42.059 0.210 0.000 1.212 200 L HN 0.409 nan 8.230 nan 0.000 0.420 201 V N 4.581 124.579 119.914 0.140 0.000 2.333 201 V HA 0.250 4.370 4.120 -0.000 0.000 0.274 201 V C 0.529 176.647 176.094 0.041 0.000 1.028 201 V CA -0.266 62.060 62.300 0.043 0.000 0.851 201 V CB 1.250 33.075 31.823 0.003 0.000 1.000 201 V HN 0.865 nan 8.190 nan 0.000 0.456 202 S N 3.531 119.248 115.700 0.029 0.000 2.461 202 S HA 0.242 4.712 4.470 -0.000 0.000 0.322 202 S C -0.391 174.233 174.600 0.040 0.000 1.063 202 S CA -0.647 57.582 58.200 0.049 0.000 1.120 202 S CB 0.396 63.624 63.200 0.047 0.000 0.968 202 S HN 0.799 nan 8.310 nan 0.000 0.467 203 D N 3.981 124.416 120.400 0.058 0.000 2.422 203 D HA 0.162 4.802 4.640 -0.000 0.000 0.227 203 D C 0.346 176.664 176.300 0.030 0.000 1.190 203 D CA -0.118 53.913 54.000 0.051 0.000 0.905 203 D CB 0.628 41.511 40.800 0.139 0.000 1.034 203 D HN 0.646 nan 8.370 nan 0.000 0.507 204 E N 2.736 122.941 120.200 0.009 0.000 2.496 204 E HA 0.049 4.399 4.350 -0.000 0.000 0.200 204 E C 1.455 177.939 176.600 -0.193 0.000 1.016 204 E CA -0.086 56.309 56.400 -0.008 0.000 0.962 204 E CB 0.191 29.977 29.700 0.144 0.000 1.071 204 E HN 0.523 nan 8.360 nan 0.000 0.457 205 I N -1.594 118.808 120.570 -0.280 0.000 2.657 205 I HA -0.251 3.919 4.170 -0.000 0.000 0.261 205 I C 1.262 177.012 176.117 -0.612 0.000 1.212 205 I CA 1.411 62.427 61.300 -0.472 0.000 1.453 205 I CB -0.794 36.832 38.000 -0.623 0.000 1.092 205 I HN 0.084 nan 8.210 nan 0.000 0.452 206 Y N 1.723 121.831 120.300 -0.319 0.000 2.493 206 Y HA 0.137 4.687 4.550 -0.000 0.000 0.275 206 Y C 2.167 177.824 175.900 -0.405 0.000 1.183 206 Y CA -0.069 57.821 58.100 -0.350 0.000 1.258 206 Y CB -0.748 37.500 38.460 -0.353 0.000 1.108 206 Y HN 0.408 nan 8.280 nan 0.000 0.521 207 E N -0.375 119.538 120.200 -0.477 0.000 2.136 207 E HA -0.316 4.034 4.350 -0.000 0.000 0.202 207 E C 0.736 177.027 176.600 -0.515 0.000 1.019 207 E CA 2.347 58.270 56.400 -0.796 0.000 0.819 207 E CB -0.606 28.413 29.700 -1.134 0.000 0.739 207 E HN 0.633 nan 8.360 nan 0.000 0.458 208 H N -0.101 118.829 119.070 -0.233 0.000 2.551 208 H HA 0.204 4.760 4.556 -0.000 0.000 0.266 208 H C 0.190 175.451 175.328 -0.112 0.000 0.977 208 H CA -0.111 55.847 56.048 -0.151 0.000 1.163 208 H CB 0.353 30.021 29.762 -0.156 0.000 1.381 208 H HN 0.093 nan 8.280 nan 0.000 0.581 209 L N 2.041 123.238 121.223 -0.044 0.000 2.556 209 L HA 0.277 4.617 4.340 -0.000 0.000 0.245 209 L C -0.933 175.681 176.870 -0.427 0.000 1.174 209 L CA -0.266 54.518 54.840 -0.093 0.000 1.117 209 L CB 0.142 42.189 42.059 -0.019 0.000 1.409 209 L HN 0.152 nan 8.230 nan 0.000 0.411 210 L N 0.468 121.407 121.223 -0.474 0.000 2.385 210 L HA 0.389 4.729 4.340 -0.000 0.000 0.273 210 L C -0.127 176.415 176.870 -0.548 0.000 0.990 210 L CA -0.200 54.337 54.840 -0.505 0.000 0.821 210 L CB 2.000 43.954 42.059 -0.176 0.000 1.279 210 L HN 0.130 nan 8.230 nan 0.000 0.412 211 Y N 1.495 121.847 120.300 0.087 0.000 2.500 211 Y HA 0.370 4.920 4.550 -0.000 0.000 0.284 211 Y C 0.358 176.299 175.900 0.068 0.000 1.118 211 Y CA -0.341 57.809 58.100 0.084 0.000 1.241 211 Y CB 0.276 38.791 38.460 0.091 0.000 1.171 211 Y HN 0.514 nan 8.280 nan 0.000 0.540 212 E N -0.252 120.033 120.200 0.142 0.000 2.372 212 E HA 0.537 4.887 4.350 -0.000 0.000 0.279 212 E C 0.051 176.698 176.600 0.078 0.000 0.946 212 E CA -0.330 56.134 56.400 0.107 0.000 0.769 212 E CB 2.060 31.828 29.700 0.113 0.000 1.230 212 E HN 0.250 nan 8.360 nan 0.000 0.442 213 G N 1.740 110.582 108.800 0.071 0.000 2.526 213 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.250 213 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.250 213 G C -1.236 173.708 174.900 0.074 0.000 1.289 213 G CA -0.487 44.654 45.100 0.069 0.000 0.947 213 G HN 0.584 nan 8.290 nan 0.000 0.517 214 E N -0.297 119.955 120.200 0.086 0.000 2.288 214 E HA 0.453 4.803 4.350 -0.000 0.000 0.268 214 E C -1.028 175.659 176.600 0.145 0.000 0.885 214 E CA -0.818 55.649 56.400 0.111 0.000 0.767 214 E CB 2.138 31.902 29.700 0.107 0.000 1.220 214 E HN 0.635 nan 8.360 nan 0.000 0.427 215 H N 1.943 121.055 119.070 0.070 0.000 2.705 215 H HA 0.273 4.828 4.556 -0.000 0.000 0.291 215 H C -1.450 173.956 175.328 0.131 0.000 1.085 215 H CA -0.334 55.753 56.048 0.065 0.000 1.357 215 H CB -0.095 29.662 29.762 -0.009 0.000 1.419 215 H HN 0.327 nan 8.280 nan 0.000 0.462 216 F N 3.802 123.499 119.950 -0.422 0.000 2.421 216 F HA 0.457 4.984 4.527 -0.000 0.000 0.337 216 F C -0.529 175.024 175.800 -0.412 0.000 1.105 216 F CA -0.483 57.341 58.000 -0.292 0.000 1.049 216 F CB 1.298 40.224 39.000 -0.123 0.000 1.139 216 F HN 0.432 nan 8.300 nan 0.000 0.479 217 S N 7.923 123.100 115.700 -0.871 0.000 2.438 217 S HA 0.262 4.732 4.470 -0.000 0.000 0.316 217 S C -1.808 172.358 174.600 -0.723 0.000 1.084 217 S CA -1.094 56.763 58.200 -0.571 0.000 1.107 217 S CB 1.468 64.477 63.200 -0.318 0.000 0.981 217 S HN 0.542 nan 8.310 nan 0.000 0.466 218 P HA -0.056 nan 4.420 nan 0.000 0.225 218 P C 1.406 178.650 177.300 -0.093 0.000 1.148 218 P CA 0.686 63.751 63.100 -0.060 0.000 0.779 218 P CB -0.087 31.678 31.700 0.109 0.000 0.780 219 G N 0.435 109.154 108.800 -0.135 0.000 2.535 219 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 219 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 219 G C 1.736 176.571 174.900 -0.108 0.000 1.122 219 G CA 0.058 45.100 45.100 -0.096 0.000 0.769 219 G HN 0.262 nan 8.290 nan 0.000 0.549 220 R N -0.400 119.982 120.500 -0.196 0.000 2.120 220 R HA -0.034 4.306 4.340 -0.000 0.000 0.234 220 R C 2.501 178.776 176.300 -0.042 0.000 1.123 220 R CA 1.575 57.583 56.100 -0.155 0.000 0.975 220 R CB -0.136 29.988 30.300 -0.294 0.000 0.866 220 R HN 0.501 nan 8.270 nan 0.000 0.446 221 V N -4.714 115.199 119.914 -0.001 0.000 3.523 221 V HA 0.442 4.562 4.120 -0.000 0.000 0.255 221 V C 0.721 176.827 176.094 0.020 0.000 1.226 221 V CA 0.506 62.831 62.300 0.043 0.000 1.092 221 V CB 0.915 32.802 31.823 0.106 0.000 0.817 221 V HN 0.072 nan 8.190 nan 0.000 0.458 222 A N 1.510 124.340 122.820 0.018 0.000 3.317 222 A HA 0.647 4.967 4.320 -0.000 0.000 0.307 222 A C -1.266 176.364 177.584 0.076 0.000 1.003 222 A CA -0.717 51.343 52.037 0.038 0.000 0.882 222 A CB 0.255 19.242 19.000 -0.022 0.000 1.136 222 A HN 0.317 nan 8.150 nan 0.000 0.488 223 P HA -0.199 nan 4.420 nan 0.000 0.218 223 P C 0.748 178.072 177.300 0.040 0.000 1.148 223 P CA 1.335 64.447 63.100 0.020 0.000 0.822 223 P CB 0.339 32.037 31.700 -0.004 0.000 0.784 224 E N -1.688 118.554 120.200 0.070 0.000 2.481 224 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 224 E C 1.117 177.676 176.600 -0.068 0.000 1.047 224 E CA 0.423 56.825 56.400 0.004 0.000 0.867 224 E CB -0.286 29.393 29.700 -0.035 0.000 0.858 224 E HN 0.519 nan 8.360 nan 0.000 0.513 225 H N -1.394 117.699 119.070 0.039 0.000 2.874 225 H HA 0.168 4.724 4.556 -0.000 0.000 0.264 225 H C -0.165 175.254 175.328 0.152 0.000 1.007 225 H CA 0.320 56.410 56.048 0.069 0.000 1.207 225 H CB 1.025 30.763 29.762 -0.040 0.000 1.487 225 H HN -0.134 nan 8.280 nan 0.000 0.505 226 T N 1.522 116.187 114.554 0.184 0.000 2.795 226 T HA 0.464 4.814 4.350 -0.000 0.000 0.282 226 T C -0.289 174.424 174.700 0.021 0.000 0.980 226 T CA -0.573 61.590 62.100 0.106 0.000 1.012 226 T CB 1.466 70.362 68.868 0.048 0.000 0.936 226 T HN 0.053 nan 8.240 nan 0.000 0.457 227 L N 3.328 124.546 121.223 -0.008 0.000 2.294 227 L HA 0.372 4.712 4.340 -0.000 0.000 0.283 227 L C 0.231 177.044 176.870 -0.096 0.000 1.015 227 L CA -0.554 54.230 54.840 -0.095 0.000 0.831 227 L CB 1.297 43.265 42.059 -0.151 0.000 1.217 227 L HN 0.634 nan 8.230 nan 0.000 0.420 228 T N 2.911 117.376 114.554 -0.148 0.000 2.743 228 T HA 0.449 4.799 4.350 -0.000 0.000 0.293 228 T C -0.014 174.628 174.700 -0.097 0.000 0.945 228 T CA -0.339 61.682 62.100 -0.132 0.000 1.030 228 T CB 1.404 70.135 68.868 -0.229 0.000 0.912 228 T HN 0.119 nan 8.240 nan 0.000 0.483 229 V N 4.949 124.849 119.914 -0.024 0.000 2.513 229 V HA 0.646 4.766 4.120 -0.000 0.000 0.299 229 V C 0.199 176.305 176.094 0.020 0.000 1.035 229 V CA -0.741 61.558 62.300 -0.001 0.000 0.889 229 V CB 1.821 33.632 31.823 -0.021 0.000 0.988 229 V HN 0.820 nan 8.190 nan 0.000 0.440 230 N N 1.192 119.893 118.700 0.001 0.000 3.449 230 N HA 0.771 5.511 4.740 -0.000 0.000 0.312 230 N C -0.590 174.623 175.510 -0.496 0.000 1.582 230 N CA 0.394 53.374 53.050 -0.116 0.000 0.850 230 N CB 2.313 40.899 38.487 0.166 0.000 1.822 230 N HN 0.969 nan 8.380 nan 0.000 0.577 231 G N -1.522 106.806 108.800 -0.786 0.000 2.322 231 G HA2 0.502 4.462 3.960 -0.000 0.000 0.295 231 G HA3 0.502 4.462 3.960 -0.000 0.000 0.295 231 G C -0.646 173.934 174.900 -0.534 0.000 1.369 231 G CA 0.261 44.698 45.100 -1.105 0.000 0.821 231 G HN 0.618 nan 8.290 nan 0.000 0.536 232 A N -0.612 122.066 122.820 -0.236 0.000 2.147 232 A HA 0.602 4.922 4.320 -0.000 0.000 0.211 232 A C 2.538 180.131 177.584 0.014 0.000 1.160 232 A CA 1.731 53.848 52.037 0.133 0.000 0.781 232 A CB -0.580 18.580 19.000 0.266 0.000 0.842 232 A HN 2.066 nan 8.150 nan 0.000 0.475 233 A N 1.032 123.813 122.820 -0.066 0.000 1.859 233 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 233 A C 2.071 179.657 177.584 0.004 0.000 1.209 233 A CA 2.099 54.126 52.037 -0.017 0.000 0.639 233 A CB -0.362 18.610 19.000 -0.046 0.000 0.835 233 A HN 0.355 nan 8.150 nan 0.000 0.450 234 K N -0.751 119.583 120.400 -0.110 0.000 2.137 234 K HA 0.217 4.537 4.320 -0.000 0.000 0.202 234 K C 2.272 178.888 176.600 0.027 0.000 1.052 234 K CA 1.132 57.403 56.287 -0.026 0.000 0.961 234 K CB -0.840 31.471 32.500 -0.314 0.000 0.741 234 K HN 0.445 nan 8.250 nan 0.000 0.452 235 A N 0.823 123.518 122.820 -0.207 0.000 1.898 235 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 235 A C 1.199 178.564 177.584 -0.364 0.000 1.181 235 A CA 1.188 52.992 52.037 -0.387 0.000 0.620 235 A CB -0.417 18.103 19.000 -0.800 0.000 0.819 235 A HN 0.222 nan 8.150 nan 0.000 0.442 236 F N -1.187 118.843 119.950 0.133 0.000 2.708 236 F HA 0.583 5.110 4.527 -0.000 0.000 0.300 236 F C 1.205 176.905 175.800 -0.167 0.000 1.118 236 F CA -0.599 57.354 58.000 -0.078 0.000 1.307 236 F CB -0.485 38.372 39.000 -0.239 0.000 0.986 236 F HN 0.298 nan 8.300 nan 0.000 0.522 237 A N 0.792 123.739 122.820 0.212 0.000 2.610 237 A HA -0.266 4.054 4.320 -0.000 0.000 0.299 237 A C 0.594 178.274 177.584 0.161 0.000 1.487 237 A CA 1.068 53.250 52.037 0.242 0.000 0.743 237 A CB -2.137 17.075 19.000 0.353 0.000 1.070 237 A HN 0.496 nan 8.150 nan 0.000 0.439 238 M N 0.242 119.920 119.600 0.129 0.000 2.876 238 M HA 0.067 4.547 4.480 -0.000 0.000 0.367 238 M C 1.692 178.167 176.300 0.291 0.000 1.242 238 M CA 0.566 55.959 55.300 0.154 0.000 0.889 238 M CB 0.163 32.629 32.600 -0.223 0.000 1.353 238 M HN 0.750 nan 8.290 nan 0.000 0.511 239 T N -2.556 112.149 114.554 0.250 0.000 2.720 239 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 239 T C 1.846 176.669 174.700 0.206 0.000 1.037 239 T CA 1.817 64.035 62.100 0.196 0.000 1.144 239 T CB -0.587 68.385 68.868 0.173 0.000 0.864 239 T HN 0.580 nan 8.240 nan 0.000 0.444 240 G N -0.663 108.274 108.800 0.227 0.000 2.679 240 G HA2 0.049 4.009 3.960 -0.000 0.000 0.212 240 G HA3 0.049 4.009 3.960 -0.000 0.000 0.212 240 G C 0.935 175.893 174.900 0.097 0.000 1.137 240 G CA -0.065 45.103 45.100 0.115 0.000 0.787 240 G HN 0.615 nan 8.290 nan 0.000 0.534 241 W N -0.002 121.315 121.300 0.028 0.000 2.576 241 W HA 0.258 4.917 4.660 -0.000 0.000 0.270 241 W C 0.718 177.252 176.519 0.025 0.000 1.255 241 W CA -0.144 57.216 57.345 0.025 0.000 1.314 241 W CB 0.350 29.825 29.460 0.025 0.000 1.101 241 W HN -0.022 nan 8.180 nan 0.000 0.595 242 R N 0.204 120.850 120.500 0.243 0.000 3.201 242 R HA -0.169 4.171 4.340 -0.000 0.000 0.254 242 R C -1.007 175.370 176.300 0.129 0.000 0.978 242 R CA 0.595 56.780 56.100 0.141 0.000 0.661 242 R CB -3.108 27.249 30.300 0.096 0.000 1.170 242 R HN 0.129 nan 8.270 nan 0.000 0.430 243 I N 0.033 120.673 120.570 0.116 0.000 2.468 243 I HA 0.525 4.695 4.170 -0.000 0.000 0.285 243 I C 1.075 177.185 176.117 -0.011 0.000 1.039 243 I CA -0.334 61.023 61.300 0.096 0.000 1.074 243 I CB 1.903 39.986 38.000 0.138 0.000 1.228 243 I HN 0.349 nan 8.210 nan 0.000 0.436 244 G N 5.914 114.695 108.800 -0.033 0.000 2.714 244 G HA2 0.828 4.788 3.960 -0.000 0.000 0.292 244 G HA3 0.828 4.788 3.960 -0.000 0.000 0.292 244 G C -1.900 172.960 174.900 -0.066 0.000 1.308 244 G CA -0.432 44.526 45.100 -0.237 0.000 0.964 244 G HN 0.473 nan 8.290 nan 0.000 0.484 245 Y N -2.539 117.804 120.300 0.072 0.000 2.592 245 Y HA 0.804 5.354 4.550 -0.000 0.000 0.334 245 Y C -0.133 175.875 175.900 0.179 0.000 1.136 245 Y CA -1.448 56.725 58.100 0.121 0.000 1.042 245 Y CB 1.278 39.820 38.460 0.137 0.000 1.325 245 Y HN 0.932 nan 8.280 nan 0.000 0.457 246 A N 0.728 123.738 122.820 0.316 0.000 2.566 246 A HA 0.940 5.260 4.320 -0.000 0.000 0.292 246 A C -0.974 176.590 177.584 -0.033 0.000 1.112 246 A CA -0.372 51.733 52.037 0.114 0.000 0.707 246 A CB 1.145 20.147 19.000 0.003 0.000 1.302 246 A HN 1.720 nan 8.150 nan 0.000 0.409 247 C N -1.093 118.019 119.300 -0.312 0.000 3.173 247 C HA 1.081 5.541 4.460 -0.000 0.000 0.310 247 C C 0.301 175.125 174.990 -0.277 0.000 1.306 247 C CA 0.192 58.992 59.018 -0.363 0.000 1.426 247 C CB 1.091 28.389 27.740 -0.737 0.000 1.800 247 C HN 2.649 nan 8.230 nan 0.000 0.470 248 G N 0.739 109.426 108.800 -0.187 0.000 2.344 248 G HA2 0.554 4.514 3.960 -0.000 0.000 0.282 248 G HA3 0.554 4.514 3.960 -0.000 0.000 0.282 248 G C -3.581 171.269 174.900 -0.084 0.000 1.281 248 G CA -0.711 44.310 45.100 -0.132 0.000 0.877 248 G HN 0.598 nan 8.290 nan 0.000 0.494 249 P HA 0.153 nan 4.420 nan 0.000 0.262 249 P C 0.748 178.024 177.300 -0.039 0.000 1.182 249 P CA 0.222 63.304 63.100 -0.029 0.000 0.761 249 P CB 0.943 32.649 31.700 0.011 0.000 0.795 250 K N 3.941 124.323 120.400 -0.029 0.000 2.089 250 K HA -0.260 4.060 4.320 -0.000 0.000 0.210 250 K C 1.708 178.293 176.600 -0.025 0.000 1.048 250 K CA 2.081 58.352 56.287 -0.026 0.000 0.926 250 K CB 0.020 32.510 32.500 -0.017 0.000 0.714 250 K HN 0.595 nan 8.250 nan 0.000 0.448 251 E N -0.315 119.874 120.200 -0.018 0.000 2.150 251 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 251 E C 1.759 178.340 176.600 -0.031 0.000 0.985 251 E CA 1.212 57.603 56.400 -0.015 0.000 0.814 251 E CB -0.088 29.612 29.700 0.001 0.000 0.752 251 E HN 0.092 nan 8.360 nan 0.000 0.466 252 V N 1.509 121.390 119.914 -0.055 0.000 2.488 252 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 252 V C 2.392 178.428 176.094 -0.097 0.000 1.046 252 V CA 0.960 63.194 62.300 -0.110 0.000 1.053 252 V CB -0.290 31.405 31.823 -0.213 0.000 0.679 252 V HN 0.327 nan 8.190 nan 0.000 0.458 253 I N 0.474 120.998 120.570 -0.077 0.000 2.286 253 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 253 I C 2.461 178.556 176.117 -0.036 0.000 1.115 253 I CA 1.656 62.922 61.300 -0.058 0.000 1.392 253 I CB -1.125 36.847 38.000 -0.047 0.000 1.065 253 I HN 0.391 nan 8.210 nan 0.000 0.418 254 K N 1.567 121.949 120.400 -0.031 0.000 2.057 254 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 254 K C 2.142 178.730 176.600 -0.019 0.000 1.049 254 K CA 1.638 57.913 56.287 -0.019 0.000 0.931 254 K CB 0.052 32.543 32.500 -0.015 0.000 0.714 254 K HN 0.211 nan 8.250 nan 0.000 0.440 255 A N 1.392 124.195 122.820 -0.028 0.000 1.902 255 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 255 A C 2.193 179.762 177.584 -0.025 0.000 1.181 255 A CA 1.619 53.640 52.037 -0.026 0.000 0.623 255 A CB -0.434 18.544 19.000 -0.037 0.000 0.818 255 A HN 0.372 nan 8.150 nan 0.000 0.443 256 M N -0.553 119.024 119.600 -0.037 0.000 2.159 256 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 256 M C 2.443 178.745 176.300 0.004 0.000 1.063 256 M CA 1.378 56.663 55.300 -0.025 0.000 1.110 256 M CB -0.326 32.249 32.600 -0.042 0.000 1.374 256 M HN 0.481 nan 8.290 nan 0.000 0.411 257 A N -0.710 122.110 122.820 0.000 0.000 1.969 257 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 257 A C 2.249 179.840 177.584 0.012 0.000 1.169 257 A CA 1.836 53.879 52.037 0.010 0.000 0.635 257 A CB -0.619 18.384 19.000 0.004 0.000 0.810 257 A HN 0.419 nan 8.150 nan 0.000 0.445 258 S N -0.419 115.286 115.700 0.007 0.000 2.383 258 S HA -0.107 4.362 4.470 -0.000 0.000 0.227 258 S C 1.862 176.476 174.600 0.023 0.000 1.026 258 S CA 1.373 59.578 58.200 0.009 0.000 0.981 258 S CB -0.322 62.881 63.200 0.004 0.000 0.818 258 S HN 0.365 nan 8.310 nan 0.000 0.472 259 V N 1.495 121.429 119.914 0.032 0.000 2.358 259 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 259 V C 2.379 178.520 176.094 0.079 0.000 1.047 259 V CA 1.744 64.081 62.300 0.062 0.000 1.035 259 V CB -0.883 30.984 31.823 0.073 0.000 0.658 259 V HN 0.410 nan 8.190 nan 0.000 0.452 260 S N -0.524 115.215 115.700 0.065 0.000 2.368 260 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 260 S C 2.111 176.735 174.600 0.040 0.000 1.030 260 S CA 1.639 59.875 58.200 0.061 0.000 0.999 260 S CB -0.402 62.829 63.200 0.050 0.000 0.844 260 S HN 0.511 nan 8.310 nan 0.000 0.459 261 R N 0.911 121.425 120.500 0.023 0.000 2.103 261 R HA -0.095 4.245 4.340 -0.000 0.000 0.242 261 R C 1.236 177.538 176.300 0.003 0.000 1.142 261 R CA 1.265 57.365 56.100 0.001 0.000 0.960 261 R CB -0.080 30.217 30.300 -0.006 0.000 0.858 261 R HN 0.280 nan 8.270 nan 0.000 0.439 262 Q N -0.671 119.143 119.800 0.023 0.000 2.280 262 Q HA 0.059 4.399 4.340 -0.000 0.000 0.202 262 Q C 0.965 176.993 176.000 0.047 0.000 0.903 262 Q CA 0.554 56.374 55.803 0.029 0.000 0.948 262 Q CB 1.397 30.154 28.738 0.033 0.000 1.058 262 Q HN 0.444 nan 8.270 nan 0.000 0.493 263 S N -1.462 114.270 115.700 0.053 0.000 3.597 263 S HA 0.002 4.471 4.470 -0.000 0.000 0.206 263 S C 1.734 176.358 174.600 0.040 0.000 0.948 263 S CA 0.568 58.804 58.200 0.059 0.000 0.863 263 S CB -0.270 62.986 63.200 0.093 0.000 1.015 263 S HN 0.205 nan 8.310 nan 0.000 0.616 264 T N -1.558 113.020 114.554 0.041 0.000 3.044 264 T HA 0.324 4.674 4.350 -0.000 0.000 0.250 264 T C 1.113 175.844 174.700 0.051 0.000 1.081 264 T CA 1.072 63.197 62.100 0.040 0.000 1.040 264 T CB -0.231 68.659 68.868 0.037 0.000 0.962 264 T HN 0.484 nan 8.240 nan 0.000 0.506 265 T N 0.344 114.917 114.554 0.031 0.000 13.029 265 T HA -0.225 4.125 4.350 -0.000 0.000 0.417 265 T C 0.245 174.962 174.700 0.029 0.000 1.457 265 T CA 1.576 63.678 62.100 0.003 0.000 2.388 265 T CB -1.808 67.046 68.868 -0.023 0.000 2.799 265 T HN 0.945 nan 8.240 nan 0.000 0.661 266 S N 0.880 116.622 115.700 0.070 0.000 2.586 266 S HA 0.542 5.012 4.470 -0.000 0.000 0.277 266 S C -3.174 171.480 174.600 0.090 0.000 1.131 266 S CA -0.995 57.251 58.200 0.077 0.000 0.848 266 S CB 1.667 64.922 63.200 0.091 0.000 1.091 266 S HN 0.165 nan 8.310 nan 0.000 0.453 267 P HA 0.174 nan 4.420 nan 0.000 0.271 267 P C -1.011 176.346 177.300 0.096 0.000 1.233 267 P CA -0.236 62.914 63.100 0.083 0.000 0.789 267 P CB 0.304 32.052 31.700 0.080 0.000 0.951 268 D N 0.609 121.068 120.400 0.098 0.000 2.581 268 D HA -0.072 4.568 4.640 -0.000 0.000 0.238 268 D C 0.691 177.067 176.300 0.127 0.000 1.145 268 D CA 0.831 54.892 54.000 0.103 0.000 0.866 268 D CB 0.501 41.360 40.800 0.098 0.000 1.151 268 D HN 0.240 nan 8.370 nan 0.000 0.500 269 T N 4.443 119.080 114.554 0.137 0.000 2.746 269 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 269 T C 1.948 176.824 174.700 0.293 0.000 1.039 269 T CA 0.869 63.087 62.100 0.197 0.000 1.142 269 T CB 0.003 68.999 68.868 0.214 0.000 0.866 269 T HN 0.437 nan 8.240 nan 0.000 0.444 270 I N 1.736 122.449 120.570 0.239 0.000 2.226 270 I HA -0.085 4.085 4.170 -0.000 0.000 0.245 270 I C 2.711 179.021 176.117 0.321 0.000 1.100 270 I CA 0.992 62.452 61.300 0.267 0.000 1.374 270 I CB -0.713 37.384 38.000 0.162 0.000 1.057 270 I HN 0.165 nan 8.210 nan 0.000 0.413 271 A N -0.340 122.660 122.820 0.300 0.000 1.969 271 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 271 A C 2.276 179.974 177.584 0.190 0.000 1.169 271 A CA 1.381 53.647 52.037 0.383 0.000 0.635 271 A CB -0.554 18.674 19.000 0.380 0.000 0.810 271 A HN 0.502 nan 8.150 nan 0.000 0.445 272 Q N -1.582 118.284 119.800 0.109 0.000 2.084 272 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 272 Q C 1.957 177.862 176.000 -0.158 0.000 0.978 272 Q CA 1.683 57.450 55.803 -0.060 0.000 0.844 272 Q CB -0.253 28.397 28.738 -0.148 0.000 0.898 272 Q HN 0.893 nan 8.270 nan 0.000 0.426 273 W N 0.496 121.810 121.300 0.023 0.000 2.388 273 W HA -0.119 4.541 4.660 0.000 0.000 0.294 273 W C 2.491 178.983 176.519 -0.044 0.000 1.212 273 W CA 0.998 58.339 57.345 -0.006 0.000 1.271 273 W CB -0.207 29.260 29.460 0.011 0.000 1.126 273 W HN 0.161 nan 8.180 nan 0.000 0.535 274 A N -0.458 122.458 122.820 0.159 0.000 1.933 274 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 274 A C 1.859 179.312 177.584 -0.218 0.000 1.175 274 A CA 2.201 54.214 52.037 -0.041 0.000 0.628 274 A CB -1.162 17.787 19.000 -0.086 0.000 0.814 274 A HN 0.216 nan 8.150 nan 0.000 0.444 275 T N 0.052 114.495 114.554 -0.185 0.000 2.867 275 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 275 T C 1.801 176.366 174.700 -0.225 0.000 1.057 275 T CA 1.292 63.260 62.100 -0.219 0.000 1.136 275 T CB -0.318 68.493 68.868 -0.094 0.000 0.874 275 T HN 0.334 nan 8.240 nan 0.000 0.466 276 L N 1.826 122.936 121.223 -0.188 0.000 2.042 276 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 276 L C 2.393 179.179 176.870 -0.140 0.000 1.076 276 L CA 1.981 56.711 54.840 -0.184 0.000 0.749 276 L CB -0.634 41.318 42.059 -0.179 0.000 0.893 276 L HN 0.144 nan 8.230 nan 0.000 0.432 277 E N -0.153 119.984 120.200 -0.106 0.000 2.110 277 E HA -0.180 4.169 4.350 -0.000 0.000 0.193 277 E C 2.067 178.583 176.600 -0.141 0.000 0.988 277 E CA 1.482 57.831 56.400 -0.084 0.000 0.804 277 E CB -0.375 29.288 29.700 -0.061 0.000 0.745 277 E HN 0.558 nan 8.360 nan 0.000 0.458 278 A N 0.285 122.914 122.820 -0.318 0.000 1.972 278 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 278 A C 2.226 179.555 177.584 -0.425 0.000 1.169 278 A CA 1.377 53.104 52.037 -0.516 0.000 0.635 278 A CB -0.526 17.916 19.000 -0.930 0.000 0.810 278 A HN 0.356 nan 8.150 nan 0.000 0.446 279 L N -0.621 120.420 121.223 -0.303 0.000 2.209 279 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 279 L C 2.864 179.643 176.870 -0.153 0.000 1.094 279 L CA 1.574 56.282 54.840 -0.221 0.000 0.790 279 L CB -0.534 41.374 42.059 -0.251 0.000 0.932 279 L HN 0.629 nan 8.230 nan 0.000 0.447 280 T N -4.085 110.392 114.554 -0.129 0.000 3.009 280 T HA -0.046 4.304 4.350 -0.000 0.000 0.258 280 T C 1.205 175.861 174.700 -0.074 0.000 1.063 280 T CA 0.162 62.210 62.100 -0.086 0.000 1.139 280 T CB -0.252 68.579 68.868 -0.062 0.000 0.890 280 T HN 0.021 nan 8.240 nan 0.000 0.471 281 N N 2.028 120.684 118.700 -0.074 0.000 2.968 281 N HA 0.168 4.908 4.740 -0.000 0.000 0.271 281 N C 0.956 176.385 175.510 -0.135 0.000 1.174 281 N CA -0.117 52.877 53.050 -0.093 0.000 1.096 281 N CB 0.455 38.893 38.487 -0.082 0.000 1.403 281 N HN 0.528 nan 8.380 nan 0.000 0.522 282 Q N 0.505 120.244 119.800 -0.101 0.000 2.124 282 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 282 Q C 1.343 177.283 176.000 -0.100 0.000 0.977 282 Q CA 1.257 57.008 55.803 -0.087 0.000 0.850 282 Q CB 0.149 28.853 28.738 -0.056 0.000 0.901 282 Q HN 0.672 nan 8.270 nan 0.000 0.429 283 E N 0.554 120.687 120.200 -0.112 0.000 2.051 283 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 283 E C 1.886 178.388 176.600 -0.163 0.000 0.991 283 E CA 1.138 57.471 56.400 -0.112 0.000 0.799 283 E CB -0.073 29.569 29.700 -0.097 0.000 0.748 283 E HN 0.344 nan 8.360 nan 0.000 0.449 284 A N 0.241 122.883 122.820 -0.297 0.000 1.929 284 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 284 A C 2.338 179.680 177.584 -0.404 0.000 1.176 284 A CA 1.491 53.241 52.037 -0.479 0.000 0.628 284 A CB -0.347 18.088 19.000 -0.941 0.000 0.816 284 A HN 0.260 nan 8.150 nan 0.000 0.444 285 S N -0.845 114.669 115.700 -0.311 0.000 2.383 285 S HA -0.121 4.349 4.470 -0.000 0.000 0.227 285 S C 2.071 176.745 174.600 0.123 0.000 1.026 285 S CA 1.278 59.494 58.200 0.028 0.000 0.981 285 S CB -0.280 62.889 63.200 -0.052 0.000 0.818 285 S HN 0.683 nan 8.310 nan 0.000 0.472 286 R N 1.403 121.905 120.500 0.003 0.000 2.081 286 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 286 R C 2.270 178.563 176.300 -0.011 0.000 1.131 286 R CA 1.382 57.474 56.100 -0.013 0.000 0.960 286 R CB -0.471 29.807 30.300 -0.037 0.000 0.856 286 R HN 0.354 nan 8.270 nan 0.000 0.436 287 A N 0.259 123.069 122.820 -0.017 0.000 1.902 287 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 287 A C 1.989 179.564 177.584 -0.015 0.000 1.181 287 A CA 1.253 53.275 52.037 -0.026 0.000 0.623 287 A CB -0.759 18.221 19.000 -0.033 0.000 0.818 287 A HN 0.543 nan 8.150 nan 0.000 0.443 288 F N 0.581 120.495 119.950 -0.060 0.000 2.113 288 F HA -0.124 4.403 4.527 0.000 0.000 0.297 288 F C 2.235 177.965 175.800 -0.117 0.000 1.103 288 F CA 1.884 59.843 58.000 -0.070 0.000 1.248 288 F CB -0.315 38.714 39.000 0.048 0.000 0.999 288 F HN 0.020 nan 8.300 nan 0.000 0.475 289 V N 0.796 120.702 119.914 -0.013 0.000 2.332 289 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 289 V C 2.390 178.366 176.094 -0.197 0.000 1.055 289 V CA 2.171 64.399 62.300 -0.120 0.000 1.038 289 V CB -0.666 31.116 31.823 -0.069 0.000 0.651 289 V HN 0.319 nan 8.190 nan 0.000 0.450 290 E N -0.521 119.590 120.200 -0.149 0.000 2.106 290 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 290 E C 2.047 178.533 176.600 -0.191 0.000 0.984 290 E CA 1.370 57.699 56.400 -0.119 0.000 0.806 290 E CB -0.465 29.191 29.700 -0.074 0.000 0.750 290 E HN 0.626 nan 8.360 nan 0.000 0.458 291 M N 0.630 120.047 119.600 -0.305 0.000 2.086 291 M HA -0.125 4.355 4.480 -0.000 0.000 0.261 291 M C 2.187 178.163 176.300 -0.539 0.000 1.067 291 M CA 1.947 57.020 55.300 -0.380 0.000 1.116 291 M CB -0.080 32.252 32.600 -0.447 0.000 1.348 291 M HN 0.081 nan 8.290 nan 0.000 0.407 292 A N 0.670 122.970 122.820 -0.868 0.000 1.902 292 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 292 A C 2.235 179.458 177.584 -0.601 0.000 1.181 292 A CA 1.889 53.300 52.037 -1.043 0.000 0.623 292 A CB -0.868 17.450 19.000 -1.136 0.000 0.818 292 A HN 0.667 nan 8.150 nan 0.000 0.443 293 R N -0.124 120.246 120.500 -0.217 0.000 2.091 293 R HA -0.208 4.132 4.340 -0.000 0.000 0.238 293 R C 2.183 178.577 176.300 0.156 0.000 1.136 293 R CA 1.970 58.158 56.100 0.147 0.000 0.959 293 R CB -0.327 30.049 30.300 0.127 0.000 0.856 293 R HN 0.716 nan 8.270 nan 0.000 0.437 294 E N -0.315 119.884 120.200 -0.001 0.000 2.106 294 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 294 E C 1.781 178.376 176.600 -0.007 0.000 0.984 294 E CA 1.082 57.485 56.400 0.006 0.000 0.806 294 E CB -0.095 29.587 29.700 -0.030 0.000 0.750 294 E HN 0.487 nan 8.360 nan 0.000 0.458 295 A N 0.343 123.129 122.820 -0.055 0.000 1.877 295 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 295 A C 1.905 179.538 177.584 0.082 0.000 1.186 295 A CA 1.394 53.430 52.037 -0.001 0.000 0.620 295 A CB -0.891 18.154 19.000 0.075 0.000 0.822 295 A HN 0.384 nan 8.150 nan 0.000 0.443 296 Y N -0.209 120.195 120.300 0.174 0.000 2.181 296 Y HA -0.157 4.393 4.550 -0.000 0.000 0.288 296 Y C 2.514 178.348 175.900 -0.111 0.000 1.146 296 Y CA 1.188 59.409 58.100 0.203 0.000 1.164 296 Y CB -0.736 37.978 38.460 0.422 0.000 0.982 296 Y HN 0.353 nan 8.280 nan 0.000 0.515 297 R N 0.716 121.146 120.500 -0.117 0.000 2.081 297 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 297 R C 2.258 178.420 176.300 -0.230 0.000 1.131 297 R CA 1.458 57.322 56.100 -0.394 0.000 0.960 297 R CB -0.108 30.086 30.300 -0.177 0.000 0.856 297 R HN 0.284 nan 8.270 nan 0.000 0.436 298 R N -0.070 120.366 120.500 -0.106 0.000 2.081 298 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 298 R C 2.499 178.729 176.300 -0.117 0.000 1.131 298 R CA 1.663 57.710 56.100 -0.088 0.000 0.960 298 R CB -0.251 30.023 30.300 -0.042 0.000 0.856 298 R HN 0.274 nan 8.270 nan 0.000 0.436 299 R N 0.186 120.630 120.500 -0.095 0.000 2.075 299 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 299 R C 2.445 178.527 176.300 -0.362 0.000 1.126 299 R CA 1.202 57.231 56.100 -0.118 0.000 0.963 299 R CB -0.317 30.023 30.300 0.066 0.000 0.858 299 R HN 0.168 nan 8.270 nan 0.000 0.435 300 R N 1.064 121.175 120.500 -0.649 0.000 2.083 300 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 300 R C 1.167 177.200 176.300 -0.444 0.000 1.137 300 R CA 2.146 57.679 56.100 -0.944 0.000 0.951 300 R CB -0.204 29.556 30.300 -0.901 0.000 0.851 300 R HN 0.151 nan 8.270 nan 0.000 0.434 301 D N 0.939 121.161 120.400 -0.297 0.000 2.144 301 D HA -0.192 4.448 4.640 -0.000 0.000 0.199 301 D C 1.916 178.135 176.300 -0.135 0.000 0.984 301 D CA 0.955 54.852 54.000 -0.172 0.000 0.834 301 D CB -0.296 40.429 40.800 -0.126 0.000 0.955 301 D HN 0.285 nan 8.370 nan 0.000 0.465 302 L N 0.270 121.408 121.223 -0.142 0.000 2.012 302 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 302 L C 2.313 179.124 176.870 -0.098 0.000 1.073 302 L CA 1.084 55.862 54.840 -0.103 0.000 0.748 302 L CB -0.166 41.835 42.059 -0.097 0.000 0.891 302 L HN 0.063 nan 8.230 nan 0.000 0.431 303 L N -0.452 120.691 121.223 -0.134 0.000 1.994 303 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 303 L C 2.610 179.451 176.870 -0.048 0.000 1.071 303 L CA 1.611 56.395 54.840 -0.093 0.000 0.745 303 L CB -0.293 41.693 42.059 -0.122 0.000 0.892 303 L HN 0.357 nan 8.230 nan 0.000 0.431 304 L N -0.445 120.734 121.223 -0.074 0.000 2.042 304 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 304 L C 2.493 179.357 176.870 -0.011 0.000 1.076 304 L CA 1.447 56.270 54.840 -0.028 0.000 0.749 304 L CB -0.479 41.554 42.059 -0.044 0.000 0.893 304 L HN 0.343 nan 8.230 nan 0.000 0.432 305 E N -0.226 119.957 120.200 -0.028 0.000 2.051 305 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 305 E C 2.206 178.806 176.600 -0.001 0.000 0.991 305 E CA 1.049 57.440 56.400 -0.015 0.000 0.799 305 E CB -0.291 29.393 29.700 -0.026 0.000 0.748 305 E HN 0.564 nan 8.360 nan 0.000 0.449 306 G N 1.278 110.075 108.800 -0.005 0.000 2.421 306 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 306 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 306 G C 1.585 176.515 174.900 0.050 0.000 1.171 306 G CA 0.466 45.572 45.100 0.010 0.000 0.775 306 G HN 0.079 nan 8.290 nan 0.000 0.543 307 L N 0.455 121.720 121.223 0.071 0.000 2.017 307 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 307 L C 3.209 180.121 176.870 0.069 0.000 1.073 307 L CA 1.702 56.608 54.840 0.109 0.000 0.745 307 L CB -0.949 41.180 42.059 0.117 0.000 0.894 307 L HN 0.196 nan 8.230 nan 0.000 0.432 308 T N -0.011 114.570 114.554 0.045 0.000 2.788 308 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 308 T C 1.954 176.671 174.700 0.028 0.000 1.044 308 T CA 1.305 63.424 62.100 0.032 0.000 1.139 308 T CB -0.241 68.639 68.868 0.021 0.000 0.867 308 T HN 0.455 nan 8.240 nan 0.000 0.454 309 A N 0.971 123.807 122.820 0.027 0.000 2.015 309 A HA 0.110 4.430 4.320 -0.000 0.000 0.219 309 A C 2.149 179.752 177.584 0.031 0.000 1.163 309 A CA 0.944 52.995 52.037 0.024 0.000 0.646 309 A CB -0.632 18.379 19.000 0.018 0.000 0.806 309 A HN 0.506 nan 8.150 nan 0.000 0.448 310 L N -1.713 119.538 121.223 0.047 0.000 2.509 310 L HA 0.175 4.515 4.340 -0.000 0.000 0.222 310 L C 1.753 178.646 176.870 0.037 0.000 1.123 310 L CA 0.596 55.468 54.840 0.054 0.000 0.856 310 L CB -0.192 41.923 42.059 0.094 0.000 0.985 310 L HN 0.568 nan 8.230 nan 0.000 0.456 311 G N 0.540 109.359 108.800 0.031 0.000 2.157 311 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 311 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 311 G C 0.171 175.081 174.900 0.016 0.000 0.979 311 G CA -0.266 44.846 45.100 0.019 0.000 0.650 311 G HN 0.198 nan 8.290 nan 0.000 0.529 312 L N 0.499 121.737 121.223 0.025 0.000 2.349 312 L HA 0.427 4.767 4.340 -0.000 0.000 0.275 312 L C 0.881 177.768 176.870 0.028 0.000 1.115 312 L CA -0.254 54.595 54.840 0.014 0.000 0.820 312 L CB 0.913 42.984 42.059 0.020 0.000 1.135 312 L HN -0.003 nan 8.230 nan 0.000 0.445 313 K N 2.534 122.947 120.400 0.021 0.000 2.156 313 K HA 0.768 5.088 4.320 -0.000 0.000 0.271 313 K C -0.805 175.847 176.600 0.086 0.000 0.995 313 K CA -0.486 55.828 56.287 0.045 0.000 0.890 313 K CB 1.875 34.396 32.500 0.035 0.000 1.073 313 K HN 0.691 nan 8.250 nan 0.000 0.454 314 A N 2.279 125.161 122.820 0.105 0.000 2.488 314 A HA 0.322 4.642 4.320 -0.000 0.000 0.295 314 A C -0.964 176.702 177.584 0.136 0.000 1.045 314 A CA -0.721 51.406 52.037 0.150 0.000 0.703 314 A CB 1.166 20.247 19.000 0.135 0.000 1.271 314 A HN 0.404 nan 8.150 nan 0.000 0.400 315 V N 2.785 122.807 119.914 0.180 0.000 2.572 315 V HA 0.179 4.299 4.120 -0.000 0.000 0.291 315 V C 1.154 177.338 176.094 0.150 0.000 1.039 315 V CA -0.012 62.376 62.300 0.146 0.000 1.055 315 V CB 0.878 32.810 31.823 0.182 0.000 0.969 315 V HN 0.896 nan 8.190 nan 0.000 0.482 316 R N 7.608 128.174 120.500 0.109 0.000 2.458 316 R HA 0.160 4.500 4.340 -0.000 0.000 0.303 316 R C -2.168 174.214 176.300 0.136 0.000 1.013 316 R CA -0.908 55.254 56.100 0.102 0.000 1.026 316 R CB 0.482 30.825 30.300 0.073 0.000 0.948 316 R HN 0.554 nan 8.270 nan 0.000 0.417 317 P HA 0.138 nan 4.420 nan 0.000 0.282 317 P C -0.770 176.665 177.300 0.225 0.000 1.249 317 P CA -0.439 62.773 63.100 0.187 0.000 0.806 317 P CB 1.933 33.764 31.700 0.219 0.000 0.984 318 S N 0.131 115.946 115.700 0.192 0.000 2.539 318 S HA 0.399 4.869 4.470 -0.000 0.000 0.221 318 S C 0.738 175.395 174.600 0.094 0.000 0.987 318 S CA 0.099 58.419 58.200 0.201 0.000 0.929 318 S CB 0.270 63.544 63.200 0.122 0.000 0.832 318 S HN 0.841 nan 8.310 nan 0.000 0.492 319 G N -0.175 108.646 108.800 0.034 0.000 2.645 319 G HA2 0.684 4.644 3.960 -0.000 0.000 0.292 319 G HA3 0.684 4.644 3.960 -0.000 0.000 0.292 319 G C -0.495 174.275 174.900 -0.216 0.000 1.415 319 G CA 0.060 45.022 45.100 -0.229 0.000 0.785 319 G HN 0.715 nan 8.290 nan 0.000 0.483 320 A N -1.323 121.233 122.820 -0.441 0.000 6.226 320 A HA 0.235 4.555 4.320 -0.000 0.000 0.254 320 A C 0.153 177.272 177.584 -0.775 0.000 2.160 320 A CA 1.635 53.116 52.037 -0.927 0.000 0.705 320 A CB -1.470 16.774 19.000 -1.260 0.000 1.036 320 A HN 2.381 nan 8.150 nan 0.000 0.366 321 F N -3.198 116.074 119.950 -1.130 0.000 2.619 321 F HA 0.731 5.258 4.527 -0.000 0.000 0.382 321 F C -0.575 174.226 175.800 -1.664 0.000 1.466 321 F CA -1.003 56.037 58.000 -1.599 0.000 1.137 321 F CB -0.529 37.530 39.000 -1.569 0.000 1.205 321 F HN 0.505 nan 8.300 nan 0.000 0.525 322 Y N -0.619 119.413 120.300 -0.448 0.000 2.536 322 Y HA 0.780 5.330 4.550 -0.000 0.000 0.347 322 Y C -0.586 175.357 175.900 0.071 0.000 1.000 322 Y CA -2.156 55.842 58.100 -0.169 0.000 1.051 322 Y CB 2.326 40.636 38.460 -0.251 0.000 1.259 322 Y HN -0.084 nan 8.280 nan 0.000 0.468 323 V N 3.558 123.640 119.914 0.280 0.000 2.623 323 V HA 0.340 4.460 4.120 -0.000 0.000 0.304 323 V C -0.794 175.372 176.094 0.119 0.000 1.054 323 V CA -0.893 61.539 62.300 0.221 0.000 0.882 323 V CB 2.100 34.077 31.823 0.257 0.000 1.002 323 V HN 0.604 nan 8.190 nan 0.000 0.424 324 L N 5.590 126.858 121.223 0.075 0.000 2.255 324 L HA 0.549 4.889 4.340 -0.000 0.000 0.289 324 L C -0.130 176.865 176.870 0.209 0.000 1.046 324 L CA -0.019 54.848 54.840 0.044 0.000 0.816 324 L CB 1.201 43.182 42.059 -0.129 0.000 1.197 324 L HN 0.655 nan 8.230 nan 0.000 0.427 325 M N 4.265 123.979 119.600 0.190 0.000 2.205 325 M HA 0.238 4.718 4.480 -0.000 0.000 0.344 325 M C -0.412 175.941 176.300 0.088 0.000 1.085 325 M CA -0.612 54.781 55.300 0.156 0.000 1.001 325 M CB 1.443 34.085 32.600 0.071 0.000 1.626 325 M HN 0.400 nan 8.290 nan 0.000 0.442 326 D N 3.150 123.546 120.400 -0.007 0.000 2.417 326 D HA 0.020 4.660 4.640 -0.000 0.000 0.250 326 D C 0.610 176.783 176.300 -0.211 0.000 1.166 326 D CA 0.362 54.157 54.000 -0.342 0.000 0.881 326 D CB 1.208 41.876 40.800 -0.220 0.000 1.164 326 D HN 0.781 nan 8.370 nan 0.000 0.467 327 T N -0.196 114.220 114.554 -0.230 0.000 3.069 327 T HA 0.045 4.395 4.350 -0.000 0.000 0.252 327 T C 1.780 176.411 174.700 -0.114 0.000 1.053 327 T CA -0.191 61.821 62.100 -0.147 0.000 0.964 327 T CB 0.107 68.911 68.868 -0.107 0.000 1.005 327 T HN 0.178 nan 8.240 nan 0.000 0.532 328 S N 3.136 118.765 115.700 -0.118 0.000 2.389 328 S HA -0.066 4.404 4.470 -0.000 0.000 0.231 328 S C -0.114 174.451 174.600 -0.059 0.000 1.052 328 S CA 1.688 59.842 58.200 -0.077 0.000 1.053 328 S CB -1.008 62.150 63.200 -0.070 0.000 0.886 328 S HN 0.641 nan 8.310 nan 0.000 0.456 329 P HA 0.179 nan 4.420 nan 0.000 0.241 329 P C 0.880 178.148 177.300 -0.053 0.000 1.191 329 P CA 0.689 63.759 63.100 -0.050 0.000 0.771 329 P CB -0.049 31.622 31.700 -0.047 0.000 0.929 330 I N -1.313 119.216 120.570 -0.068 0.000 3.339 330 I HA 0.270 4.440 4.170 -0.000 0.000 0.285 330 I C 1.057 177.147 176.117 -0.045 0.000 1.201 330 I CA 0.132 61.392 61.300 -0.067 0.000 1.434 330 I CB 0.248 38.185 38.000 -0.105 0.000 1.152 330 I HN -0.112 nan 8.210 nan 0.000 0.443 331 A N 0.548 123.343 122.820 -0.041 0.000 2.586 331 A HA 0.444 4.764 4.320 -0.000 0.000 0.291 331 A C -2.220 175.350 177.584 -0.023 0.000 1.062 331 A CA -0.625 51.396 52.037 -0.026 0.000 0.666 331 A CB 0.123 19.111 19.000 -0.020 0.000 1.281 331 A HN -0.158 nan 8.150 nan 0.000 0.421 332 P HA -0.016 nan 4.420 nan 0.000 0.220 332 P C -0.028 177.270 177.300 -0.003 0.000 1.148 332 P CA 1.977 65.071 63.100 -0.010 0.000 0.803 332 P CB -0.193 31.502 31.700 -0.008 0.000 0.782 333 D N -2.287 118.116 120.400 0.005 0.000 2.579 333 D HA 0.088 4.728 4.640 -0.000 0.000 0.257 333 D C 1.057 177.377 176.300 0.032 0.000 1.176 333 D CA -0.787 53.230 54.000 0.028 0.000 0.914 333 D CB 0.522 41.344 40.800 0.037 0.000 1.431 333 D HN -0.247 nan 8.370 nan 0.000 0.454 334 E N 0.554 120.793 120.200 0.066 0.000 2.268 334 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 334 E C 1.425 178.057 176.600 0.054 0.000 0.995 334 E CA 0.980 57.415 56.400 0.059 0.000 0.836 334 E CB -0.368 29.389 29.700 0.095 0.000 0.763 334 E HN 0.361 nan 8.360 nan 0.000 0.491 335 V N 1.584 121.535 119.914 0.062 0.000 2.407 335 V HA -0.113 4.007 4.120 -0.000 0.000 0.245 335 V C 2.663 178.776 176.094 0.032 0.000 1.041 335 V CA 1.653 63.984 62.300 0.051 0.000 1.040 335 V CB -0.538 31.318 31.823 0.055 0.000 0.671 335 V HN 0.181 nan 8.190 nan 0.000 0.455 336 R N 0.464 120.978 120.500 0.025 0.000 2.096 336 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 336 R C 2.431 178.734 176.300 0.005 0.000 1.127 336 R CA 1.423 57.532 56.100 0.013 0.000 0.968 336 R CB -0.588 29.717 30.300 0.008 0.000 0.861 336 R HN 0.530 nan 8.270 nan 0.000 0.440 337 A N 1.437 124.257 122.820 -0.001 0.000 1.902 337 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 337 A C 2.397 179.972 177.584 -0.016 0.000 1.181 337 A CA 1.656 53.680 52.037 -0.022 0.000 0.623 337 A CB -0.553 18.425 19.000 -0.037 0.000 0.818 337 A HN 0.378 nan 8.150 nan 0.000 0.443 338 A N -0.334 122.489 122.820 0.006 0.000 1.933 338 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 338 A C 1.901 179.501 177.584 0.026 0.000 1.175 338 A CA 1.725 53.775 52.037 0.021 0.000 0.628 338 A CB -0.467 18.555 19.000 0.038 0.000 0.814 338 A HN 0.626 nan 8.150 nan 0.000 0.444 339 E N -0.777 119.437 120.200 0.022 0.000 2.107 339 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 339 E C 2.343 178.955 176.600 0.021 0.000 0.982 339 E CA 0.677 57.090 56.400 0.023 0.000 0.809 339 E CB -0.090 29.622 29.700 0.020 0.000 0.756 339 E HN 0.470 nan 8.360 nan 0.000 0.459 340 R N 0.305 120.813 120.500 0.013 0.000 2.066 340 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 340 R C 2.390 178.703 176.300 0.022 0.000 1.131 340 R CA 0.881 56.988 56.100 0.011 0.000 0.955 340 R CB -0.252 30.046 30.300 -0.004 0.000 0.851 340 R HN 0.211 nan 8.270 nan 0.000 0.432 341 L N 0.682 121.917 121.223 0.019 0.000 2.083 341 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 341 L C 2.461 179.378 176.870 0.078 0.000 1.083 341 L CA 1.010 55.882 54.840 0.053 0.000 0.752 341 L CB -0.361 41.721 42.059 0.039 0.000 0.899 341 L HN 0.260 nan 8.230 nan 0.000 0.433 342 L N -0.500 120.758 121.223 0.058 0.000 2.046 342 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 342 L C 2.740 179.638 176.870 0.048 0.000 1.077 342 L CA 1.129 56.002 54.840 0.055 0.000 0.747 342 L CB -0.353 41.732 42.059 0.044 0.000 0.896 342 L HN 0.316 nan 8.230 nan 0.000 0.432 343 E N -0.063 120.161 120.200 0.040 0.000 2.150 343 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 343 E C 2.071 178.696 176.600 0.041 0.000 0.985 343 E CA 1.217 57.637 56.400 0.035 0.000 0.814 343 E CB -0.096 29.621 29.700 0.027 0.000 0.752 343 E HN 0.453 nan 8.360 nan 0.000 0.466 344 A N 0.046 122.900 122.820 0.055 0.000 2.206 344 A HA 0.217 4.537 4.320 -0.000 0.000 0.211 344 A C 1.646 179.272 177.584 0.070 0.000 1.158 344 A CA 1.173 53.251 52.037 0.068 0.000 0.761 344 A CB -0.148 18.911 19.000 0.098 0.000 0.801 344 A HN 0.292 nan 8.150 nan 0.000 0.473 345 G N -2.153 106.685 108.800 0.065 0.000 2.134 345 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.209 345 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.209 345 G C -0.127 174.813 174.900 0.066 0.000 0.993 345 G CA -0.028 45.104 45.100 0.054 0.000 0.669 345 G HN 0.944 nan 8.290 nan 0.000 0.519 346 V N 0.416 120.392 119.914 0.104 0.000 2.483 346 V HA 0.813 4.933 4.120 -0.000 0.000 0.297 346 V C 0.435 176.606 176.094 0.127 0.000 1.027 346 V CA -0.440 61.940 62.300 0.134 0.000 0.855 346 V CB 1.690 33.675 31.823 0.270 0.000 0.995 346 V HN 1.210 nan 8.190 nan 0.000 0.424 347 A N 5.174 128.055 122.820 0.102 0.000 2.252 347 A HA 0.818 5.138 4.320 -0.000 0.000 0.309 347 A C -0.183 177.468 177.584 0.111 0.000 1.285 347 A CA -0.355 51.737 52.037 0.092 0.000 0.900 347 A CB 0.775 19.817 19.000 0.070 0.000 1.157 347 A HN 1.380 nan 8.150 nan 0.000 0.536 348 V N 0.750 120.730 119.914 0.110 0.000 3.126 348 V HA 0.827 4.947 4.120 -0.000 0.000 0.314 348 V C -0.388 175.764 176.094 0.097 0.000 1.138 348 V CA -0.860 61.510 62.300 0.115 0.000 1.034 348 V CB 1.672 33.566 31.823 0.118 0.000 1.075 348 V HN 0.506 nan 8.190 nan 0.000 0.442 349 V N 3.544 123.517 119.914 0.098 0.000 2.370 349 V HA 0.435 4.555 4.120 -0.000 0.000 0.279 349 V C -2.097 174.064 176.094 0.111 0.000 1.029 349 V CA -1.570 60.801 62.300 0.118 0.000 0.870 349 V CB 1.272 33.192 31.823 0.162 0.000 0.984 349 V HN 0.925 nan 8.190 nan 0.000 0.451 350 P HA 0.093 nan 4.420 nan 0.000 0.268 350 P C 0.865 178.259 177.300 0.157 0.000 1.205 350 P CA 0.082 63.245 63.100 0.105 0.000 0.771 350 P CB 1.094 32.848 31.700 0.090 0.000 0.858 351 G N 1.929 110.793 108.800 0.106 0.000 2.848 351 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.208 351 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.208 351 G C 1.177 176.092 174.900 0.026 0.000 1.152 351 G CA 0.328 45.485 45.100 0.094 0.000 0.789 351 G HN 0.438 nan 8.290 nan 0.000 0.531 352 T N 1.485 116.053 114.554 0.024 0.000 2.624 352 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 352 T C 1.798 176.408 174.700 -0.151 0.000 1.041 352 T CA 1.626 63.702 62.100 -0.040 0.000 1.159 352 T CB -0.248 68.698 68.868 0.130 0.000 0.863 352 T HN 0.228 nan 8.240 nan 0.000 0.434 353 D N 0.526 120.853 120.400 -0.122 0.000 2.310 353 D HA 0.000 4.640 4.640 -0.000 0.000 0.212 353 D C 1.304 177.393 176.300 -0.353 0.000 0.965 353 D CA 0.695 54.543 54.000 -0.255 0.000 0.879 353 D CB -0.321 40.236 40.800 -0.404 0.000 0.921 353 D HN 0.461 nan 8.370 nan 0.000 0.510 354 F N -0.067 119.709 119.950 -0.290 0.000 2.765 354 F HA 0.375 4.902 4.527 -0.000 0.000 0.302 354 F C 1.441 176.714 175.800 -0.879 0.000 1.111 354 F CA 0.144 57.876 58.000 -0.447 0.000 1.359 354 F CB 0.027 38.812 39.000 -0.358 0.000 1.097 354 F HN -0.136 nan 8.300 nan 0.000 0.577 355 A N 0.540 122.959 122.820 -0.668 0.000 2.925 355 A HA -0.059 4.261 4.320 -0.000 0.000 0.265 355 A C 0.788 177.897 177.584 -0.792 0.000 1.419 355 A CA 0.591 52.085 52.037 -0.904 0.000 0.807 355 A CB -2.030 16.536 19.000 -0.723 0.000 1.043 355 A HN 0.674 nan 8.150 nan 0.000 0.600 356 A N -0.081 122.346 122.820 -0.655 0.000 3.232 356 A HA 0.647 4.967 4.320 -0.000 0.000 0.312 356 A C -0.019 177.457 177.584 -0.180 0.000 1.185 356 A CA -0.489 51.332 52.037 -0.360 0.000 1.011 356 A CB -0.487 18.309 19.000 -0.340 0.000 1.096 356 A HN 0.851 nan 8.150 nan 0.000 0.543 357 F N 0.324 120.341 119.950 0.110 0.000 2.563 357 F HA 0.398 4.925 4.527 -0.000 0.000 0.363 357 F C 1.657 177.578 175.800 0.203 0.000 1.123 357 F CA 1.332 59.407 58.000 0.125 0.000 1.307 357 F CB 0.446 39.494 39.000 0.080 0.000 1.115 357 F HN 0.643 nan 8.300 nan 0.000 0.592 358 G N 0.893 109.862 108.800 0.281 0.000 2.162 358 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 358 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 358 G C -0.283 174.531 174.900 -0.144 0.000 0.976 358 G CA 0.140 45.285 45.100 0.075 0.000 0.655 358 G HN 0.853 nan 8.290 nan 0.000 0.533 359 H N -2.135 116.964 119.070 0.048 0.000 2.907 359 H HA 0.805 5.361 4.556 -0.000 0.000 0.361 359 H C -0.659 174.658 175.328 -0.019 0.000 1.194 359 H CA -0.555 55.498 56.048 0.009 0.000 1.152 359 H CB 2.418 32.178 29.762 -0.004 0.000 1.867 359 H HN 0.296 nan 8.280 nan 0.000 0.561 360 V N 1.040 121.013 119.914 0.099 0.000 2.841 360 V HA 0.366 4.486 4.120 -0.000 0.000 0.310 360 V C -0.735 175.360 176.094 0.003 0.000 1.090 360 V CA -0.802 61.519 62.300 0.035 0.000 0.930 360 V CB 2.171 34.003 31.823 0.014 0.000 1.014 360 V HN 0.636 nan 8.190 nan 0.000 0.425 361 R N 4.910 125.374 120.500 -0.060 0.000 2.254 361 R HA 0.622 4.962 4.340 -0.000 0.000 0.318 361 R C -1.382 174.942 176.300 0.039 0.000 1.031 361 R CA -0.427 55.608 56.100 -0.109 0.000 0.905 361 R CB 0.724 30.802 30.300 -0.370 0.000 1.050 361 R HN 0.636 nan 8.270 nan 0.000 0.456 362 L N 2.581 123.874 121.223 0.117 0.000 2.325 362 L HA 0.393 4.733 4.340 -0.000 0.000 0.278 362 L C 0.027 177.048 176.870 0.253 0.000 1.023 362 L CA -0.699 54.259 54.840 0.196 0.000 0.811 362 L CB 1.914 44.116 42.059 0.239 0.000 1.249 362 L HN 0.591 nan 8.230 nan 0.000 0.431 363 S N 1.421 117.257 115.700 0.227 0.000 2.478 363 S HA 0.421 4.891 4.470 -0.000 0.000 0.312 363 S C -0.298 174.347 174.600 0.075 0.000 1.094 363 S CA -0.647 57.650 58.200 0.161 0.000 1.081 363 S CB 0.847 64.173 63.200 0.210 0.000 1.007 363 S HN 0.512 nan 8.310 nan 0.000 0.475 364 Y N 2.493 122.780 120.300 -0.023 0.000 2.746 364 Y HA 0.669 5.219 4.550 -0.000 0.000 0.312 364 Y C 0.718 176.539 175.900 -0.131 0.000 1.117 364 Y CA -0.704 57.362 58.100 -0.056 0.000 1.324 364 Y CB -0.479 37.970 38.460 -0.018 0.000 1.173 364 Y HN 0.687 nan 8.280 nan 0.000 0.529 365 A N 1.100 123.725 122.820 -0.326 0.000 3.197 365 A HA 0.500 4.820 4.320 -0.000 0.000 0.263 365 A C 0.238 177.695 177.584 -0.212 0.000 1.524 365 A CA 0.133 51.913 52.037 -0.428 0.000 1.176 365 A CB -1.182 17.206 19.000 -1.019 0.000 1.096 365 A HN 0.451 nan 8.150 nan 0.000 0.655 366 T N -1.733 112.766 114.554 -0.092 0.000 2.804 366 T HA 0.601 4.951 4.350 -0.000 0.000 0.290 366 T C 0.182 174.842 174.700 -0.067 0.000 1.099 366 T CA -0.178 61.871 62.100 -0.085 0.000 1.011 366 T CB 0.986 69.826 68.868 -0.047 0.000 1.291 366 T HN 0.576 nan 8.240 nan 0.000 0.523 367 S N -0.215 115.440 115.700 -0.075 0.000 2.592 367 S HA 0.222 4.692 4.470 -0.000 0.000 0.271 367 S C 0.925 175.500 174.600 -0.042 0.000 1.326 367 S CA -0.623 57.537 58.200 -0.066 0.000 1.024 367 S CB 0.509 63.670 63.200 -0.066 0.000 0.921 367 S HN 0.744 nan 8.310 nan 0.000 0.527 368 E N 1.088 121.266 120.200 -0.037 0.000 2.160 368 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 368 E C 1.642 178.216 176.600 -0.043 0.000 0.991 368 E CA 1.547 57.925 56.400 -0.037 0.000 0.810 368 E CB -0.181 29.498 29.700 -0.034 0.000 0.742 368 E HN 0.746 nan 8.360 nan 0.000 0.466 369 E N 0.859 121.035 120.200 -0.041 0.000 2.058 369 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 369 E C 1.727 178.299 176.600 -0.047 0.000 0.997 369 E CA 0.954 57.330 56.400 -0.040 0.000 0.801 369 E CB -0.182 29.498 29.700 -0.035 0.000 0.746 369 E HN 0.166 nan 8.360 nan 0.000 0.450 370 N N -0.071 118.600 118.700 -0.048 0.000 2.270 370 N HA -0.035 4.705 4.740 -0.000 0.000 0.181 370 N C 1.730 177.197 175.510 -0.072 0.000 1.016 370 N CA 0.621 53.640 53.050 -0.052 0.000 0.870 370 N CB -0.045 38.416 38.487 -0.043 0.000 0.979 370 N HN 0.180 nan 8.380 nan 0.000 0.431 371 L N 0.583 121.765 121.223 -0.067 0.000 2.093 371 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 371 L C 2.385 179.179 176.870 -0.125 0.000 1.085 371 L CA 0.866 55.653 54.840 -0.090 0.000 0.755 371 L CB -0.185 41.839 42.059 -0.060 0.000 0.904 371 L HN 0.077 nan 8.230 nan 0.000 0.435 372 R N 0.147 120.590 120.500 -0.095 0.000 2.066 372 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 372 R C 2.350 178.584 176.300 -0.111 0.000 1.131 372 R CA 1.234 57.279 56.100 -0.093 0.000 0.955 372 R CB -0.160 30.102 30.300 -0.063 0.000 0.851 372 R HN 0.270 nan 8.270 nan 0.000 0.432 373 K N 0.330 120.670 120.400 -0.100 0.000 2.009 373 K HA -0.147 4.173 4.320 -0.000 0.000 0.210 373 K C 2.199 178.706 176.600 -0.154 0.000 1.049 373 K CA 1.572 57.801 56.287 -0.096 0.000 0.929 373 K CB -0.245 32.212 32.500 -0.071 0.000 0.714 373 K HN 0.162 nan 8.250 nan 0.000 0.440 374 A N 1.398 124.082 122.820 -0.226 0.000 1.908 374 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 374 A C 2.128 179.279 177.584 -0.721 0.000 1.181 374 A CA 1.364 53.143 52.037 -0.429 0.000 0.627 374 A CB -0.652 18.078 19.000 -0.450 0.000 0.818 374 A HN 0.192 nan 8.150 nan 0.000 0.445 375 L N -0.983 119.936 121.223 -0.507 0.000 2.141 375 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 375 L C 2.575 179.348 176.870 -0.162 0.000 1.094 375 L CA 1.452 56.068 54.840 -0.374 0.000 0.763 375 L CB -0.487 41.460 42.059 -0.187 0.000 0.908 375 L HN 0.485 nan 8.230 nan 0.000 0.437 376 E N -0.172 119.952 120.200 -0.127 0.000 2.051 376 E HA -0.192 4.157 4.350 -0.000 0.000 0.192 376 E C 2.297 178.894 176.600 -0.005 0.000 0.991 376 E CA 0.946 57.318 56.400 -0.047 0.000 0.799 376 E CB 0.064 29.737 29.700 -0.045 0.000 0.748 376 E HN 0.418 nan 8.360 nan 0.000 0.449 377 R N 0.076 120.563 120.500 -0.022 0.000 2.115 377 R HA -0.069 4.271 4.340 -0.000 0.000 0.226 377 R C 2.078 178.509 176.300 0.218 0.000 1.100 377 R CA 0.770 56.911 56.100 0.069 0.000 0.980 377 R CB -0.447 29.889 30.300 0.060 0.000 0.875 377 R HN 0.182 nan 8.270 nan 0.000 0.445 378 F N 1.801 121.757 119.950 0.010 0.000 2.186 378 F HA 0.021 4.548 4.527 -0.000 0.000 0.299 378 F C 2.696 178.501 175.800 0.008 0.000 1.090 378 F CA 0.342 58.348 58.000 0.011 0.000 1.307 378 F CB -1.213 37.795 39.000 0.012 0.000 1.019 378 F HN 0.051 nan 8.300 nan 0.000 0.489 379 A N 0.586 123.532 122.820 0.209 0.000 1.883 379 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 379 A C 2.431 180.064 177.584 0.082 0.000 1.186 379 A CA 1.644 53.748 52.037 0.112 0.000 0.624 379 A CB -0.655 18.386 19.000 0.067 0.000 0.822 379 A HN 0.304 nan 8.150 nan 0.000 0.444 380 R N -0.845 119.703 120.500 0.080 0.000 2.092 380 R HA -0.055 4.285 4.340 -0.000 0.000 0.231 380 R C 1.882 178.215 176.300 0.055 0.000 1.119 380 R CA 1.353 57.487 56.100 0.057 0.000 0.970 380 R CB -0.729 29.602 30.300 0.051 0.000 0.864 380 R HN 0.376 nan 8.270 nan 0.000 0.440 381 V N 1.610 121.568 119.914 0.073 0.000 2.913 381 V HA -0.098 4.022 4.120 -0.000 0.000 0.260 381 V C 1.386 177.495 176.094 0.025 0.000 1.098 381 V CA 1.174 63.502 62.300 0.047 0.000 1.121 381 V CB -0.336 31.515 31.823 0.046 0.000 0.714 381 V HN 0.120 nan 8.190 nan 0.000 0.487 382 L N 0.000 121.244 121.223 0.035 0.000 2.949 382 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 382 L CA 0.000 54.852 54.840 0.021 0.000 0.813 382 L CB 0.000 42.074 42.059 0.025 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502