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 5bj3_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRGLSRRVQA MKPXXXXXXX XXXXXXXXXX XXLVALTAGE 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 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 R N -0.600 119.903 120.500 0.005 0.000 2.760 2 R HA 0.560 4.901 4.340 0.001 0.000 0.065 2 R C -0.443 175.859 176.300 0.004 0.000 0.816 2 R CA 0.822 56.925 56.100 0.004 0.000 2.689 2 R CB 1.032 31.334 30.300 0.004 0.000 1.401 2 R HN 1.696 nan 8.270 nan 0.000 0.503 3 G N 1.274 110.077 108.800 0.006 0.000 2.312 3 G HA2 0.124 4.084 3.960 0.001 0.000 0.347 3 G HA3 0.124 4.084 3.960 0.001 0.000 0.347 3 G C -1.326 173.579 174.900 0.008 0.000 1.564 3 G CA -0.830 44.273 45.100 0.006 0.000 0.981 3 G HN -0.012 nan 8.290 nan 0.000 0.678 4 L N 1.090 122.319 121.223 0.010 0.000 2.421 4 L HA 0.582 4.922 4.340 0.001 0.000 0.263 4 L C 1.571 178.447 176.870 0.010 0.000 1.122 4 L CA -0.541 54.309 54.840 0.016 0.000 0.804 4 L CB 1.432 43.504 42.059 0.022 0.000 1.150 4 L HN 0.873 nan 8.230 nan 0.000 0.457 5 S N 0.983 116.690 115.700 0.012 0.000 2.593 5 S HA 0.221 4.691 4.470 0.001 0.000 0.269 5 S C 0.947 175.539 174.600 -0.013 0.000 1.334 5 S CA -0.580 57.615 58.200 -0.007 0.000 1.015 5 S CB 1.137 64.326 63.200 -0.019 0.000 0.912 5 S HN 0.587 nan 8.310 nan 0.000 0.541 6 R N 1.063 121.543 120.500 -0.034 0.000 2.081 6 R HA -0.114 4.226 4.340 0.001 0.000 0.235 6 R C 2.687 178.960 176.300 -0.046 0.000 1.131 6 R CA 1.801 57.880 56.100 -0.036 0.000 0.960 6 R CB -0.418 29.855 30.300 -0.045 0.000 0.856 6 R HN 0.875 nan 8.270 nan 0.000 0.436 7 R N 0.126 120.561 120.500 -0.109 0.000 2.105 7 R HA -0.080 4.260 4.340 0.001 0.000 0.239 7 R C 1.983 178.288 176.300 0.008 0.000 1.135 7 R CA 1.548 57.537 56.100 -0.185 0.000 0.967 7 R CB -0.811 29.160 30.300 -0.547 0.000 0.861 7 R HN 0.036 nan 8.270 nan 0.000 0.442 8 V N 1.378 121.342 119.914 0.084 0.000 2.488 8 V HA -0.139 3.981 4.120 0.001 0.000 0.246 8 V C 2.227 178.389 176.094 0.113 0.000 1.046 8 V CA 1.630 64.056 62.300 0.210 0.000 1.053 8 V CB -0.179 31.752 31.823 0.179 0.000 0.679 8 V HN 0.423 nan 8.190 nan 0.000 0.458 9 Q N -0.492 119.343 119.800 0.058 0.000 2.297 9 Q HA -0.035 4.305 4.340 0.001 0.000 0.204 9 Q C 2.042 178.061 176.000 0.032 0.000 0.962 9 Q CA 1.316 57.140 55.803 0.035 0.000 0.879 9 Q CB -0.186 28.562 28.738 0.017 0.000 0.947 9 Q HN 0.661 nan 8.270 nan 0.000 0.462 10 A N 0.060 122.902 122.820 0.037 0.000 2.251 10 A HA 0.103 4.423 4.320 0.001 0.000 0.209 10 A C 0.785 178.396 177.584 0.045 0.000 1.187 10 A CA -0.036 52.019 52.037 0.029 0.000 0.823 10 A CB -0.063 18.945 19.000 0.013 0.000 0.846 10 A HN 0.210 nan 8.150 nan 0.000 0.486 11 M N 0.732 120.375 119.600 0.071 0.000 2.238 11 M HA 0.145 4.626 4.480 0.001 0.000 0.347 11 M C -0.070 176.239 176.300 0.015 0.000 1.173 11 M CA 0.301 55.636 55.300 0.058 0.000 1.147 11 M CB 0.630 33.275 32.600 0.075 0.000 1.547 11 M HN 0.061 nan 8.290 nan 0.000 0.455 12 K N 3.787 124.182 120.400 -0.009 0.000 2.339 12 K HA 0.254 4.574 4.320 0.001 0.000 0.286 12 K C -1.824 174.755 176.600 -0.035 0.000 1.050 12 K CA -1.143 55.130 56.287 -0.023 0.000 0.956 12 K CB 0.167 32.644 32.500 -0.038 0.000 0.990 12 K HN 0.460 nan 8.250 nan 0.000 0.475 34 V N 3.193 123.107 119.914 0.001 0.000 2.347 34 V HA 0.637 4.757 4.120 0.001 0.000 0.280 34 V C 0.398 176.496 176.094 0.006 0.000 1.021 34 V CA -0.325 61.968 62.300 -0.011 0.000 0.847 34 V CB 1.477 33.276 31.823 -0.040 0.000 0.990 34 V HN 0.741 nan 8.190 nan 0.000 0.444 35 A N 6.223 129.050 122.820 0.010 0.000 2.260 35 A HA 0.773 5.094 4.320 0.001 0.000 0.308 35 A C -0.109 177.494 177.584 0.033 0.000 1.254 35 A CA -0.371 51.684 52.037 0.030 0.000 0.874 35 A CB 0.411 19.429 19.000 0.030 0.000 1.153 35 A HN 0.867 nan 8.150 nan 0.000 0.527 36 L N 3.317 124.578 121.223 0.062 0.000 3.141 36 L HA 0.190 4.530 4.340 0.001 0.000 0.263 36 L C 1.165 178.103 176.870 0.113 0.000 1.312 36 L CA 0.199 55.087 54.840 0.080 0.000 1.012 36 L CB 0.118 42.240 42.059 0.105 0.000 1.408 36 L HN 0.925 nan 8.230 nan 0.000 0.559 37 T N -4.243 110.372 114.554 0.102 0.000 3.010 37 T HA 0.298 4.649 4.350 0.001 0.000 0.257 37 T C 0.967 175.760 174.700 0.156 0.000 1.020 37 T CA 0.092 62.271 62.100 0.131 0.000 0.938 37 T CB 0.474 69.408 68.868 0.110 0.000 1.049 37 T HN 0.207 nan 8.240 nan 0.000 0.522 38 A N 0.918 123.805 122.820 0.112 0.000 2.565 38 A HA 0.524 4.845 4.320 0.001 0.000 0.237 38 A C 1.345 179.078 177.584 0.247 0.000 1.053 38 A CA 0.272 52.371 52.037 0.104 0.000 0.755 38 A CB -0.285 18.701 19.000 -0.023 0.000 0.980 38 A HN 0.632 nan 8.150 nan 0.000 0.506 39 G N 1.320 110.294 108.800 0.290 0.000 3.651 39 G HA2 0.456 4.417 3.960 0.001 0.000 0.279 39 G HA3 0.456 4.417 3.960 0.001 0.000 0.279 39 G C 0.041 175.224 174.900 0.471 0.000 1.024 39 G CA 0.388 45.790 45.100 0.504 0.000 0.813 39 G HN 0.937 nan 8.290 nan 0.000 0.518 40 E N 0.079 120.426 120.200 0.245 0.000 2.390 40 E HA 0.489 4.840 4.350 0.001 0.000 0.277 40 E C -3.219 173.336 176.600 -0.074 0.000 0.939 40 E CA -2.278 54.240 56.400 0.197 0.000 0.769 40 E CB 1.731 31.530 29.700 0.164 0.000 1.251 40 E HN -0.156 nan 8.360 nan 0.000 0.450 41 P HA -0.009 nan 4.420 nan 0.000 0.267 41 P C 0.020 177.345 177.300 0.042 0.000 1.200 41 P CA 0.020 63.149 63.100 0.047 0.000 0.772 41 P CB 0.498 32.444 31.700 0.410 0.000 0.855 42 D N 1.341 121.710 120.400 -0.052 0.000 2.347 42 D HA -0.047 4.593 4.640 0.001 0.000 0.213 42 D C 0.223 176.445 176.300 -0.130 0.000 0.985 42 D CA 0.398 54.309 54.000 -0.148 0.000 0.879 42 D CB -0.220 40.415 40.800 -0.274 0.000 0.919 42 D HN 0.236 nan 8.370 nan 0.000 0.526 43 F N 1.626 121.657 119.950 0.135 0.000 2.418 43 F HA 0.225 4.752 4.527 0.000 0.000 0.341 43 F C 1.159 177.084 175.800 0.209 0.000 1.120 43 F CA -0.689 57.428 58.000 0.196 0.000 1.232 43 F CB 0.548 39.738 39.000 0.316 0.000 1.175 43 F HN -0.262 nan 8.300 nan 0.000 0.569 44 D N 0.171 120.795 120.400 0.374 0.000 2.348 44 D HA 0.090 4.730 4.640 0.001 0.000 0.249 44 D C -0.144 176.266 176.300 0.183 0.000 1.110 44 D CA -0.256 53.887 54.000 0.239 0.000 0.967 44 D CB 1.152 42.057 40.800 0.176 0.000 1.139 44 D HN 0.541 nan 8.370 nan 0.000 0.466 45 T N 0.913 115.531 114.554 0.106 0.000 2.916 45 T HA 0.259 4.610 4.350 0.001 0.000 0.303 45 T C -2.218 172.356 174.700 -0.211 0.000 1.025 45 T CA -1.239 60.796 62.100 -0.109 0.000 1.142 45 T CB 0.742 69.585 68.868 -0.042 0.000 0.947 45 T HN 0.217 nan 8.240 nan 0.000 0.544 46 P HA 0.066 nan 4.420 nan 0.000 0.264 46 P C 0.872 178.058 177.300 -0.189 0.000 1.183 46 P CA -0.092 62.817 63.100 -0.319 0.000 0.763 46 P CB 0.640 32.094 31.700 -0.410 0.000 0.807 47 E N 2.338 122.527 120.200 -0.018 0.000 2.147 47 E HA -0.240 4.110 4.350 0.001 0.000 0.199 47 E C 1.809 178.404 176.600 -0.009 0.000 1.005 47 E CA 1.930 58.335 56.400 0.008 0.000 0.810 47 E CB -0.859 28.872 29.700 0.052 0.000 0.736 47 E HN 0.758 nan 8.360 nan 0.000 0.460 48 H N -1.288 117.725 119.070 -0.095 0.000 2.421 48 H HA -0.006 4.551 4.556 0.000 0.000 0.298 48 H C 1.987 177.235 175.328 -0.133 0.000 1.087 48 H CA 1.269 57.255 56.048 -0.103 0.000 1.330 48 H CB -0.295 29.397 29.762 -0.116 0.000 1.388 48 H HN -0.055 nan 8.280 nan 0.000 0.526 49 V N 1.102 120.604 119.914 -0.686 0.000 2.407 49 V HA -0.150 3.971 4.120 0.001 0.000 0.245 49 V C 2.288 178.214 176.094 -0.281 0.000 1.041 49 V CA 1.789 63.727 62.300 -0.603 0.000 1.040 49 V CB -0.350 30.974 31.823 -0.832 0.000 0.671 49 V HN 0.384 nan 8.190 nan 0.000 0.455 50 K N -0.345 119.974 120.400 -0.136 0.000 2.097 50 K HA -0.180 4.140 4.320 0.001 0.000 0.206 50 K C 2.240 178.879 176.600 0.065 0.000 1.049 50 K CA 1.228 57.565 56.287 0.083 0.000 0.933 50 K CB -0.150 32.407 32.500 0.094 0.000 0.717 50 K HN 0.328 nan 8.250 nan 0.000 0.442 51 E N 0.702 120.907 120.200 0.009 0.000 2.051 51 E HA -0.144 4.206 4.350 0.001 0.000 0.192 51 E C 2.016 178.626 176.600 0.016 0.000 0.991 51 E CA 1.228 57.637 56.400 0.016 0.000 0.799 51 E CB -0.202 29.505 29.700 0.013 0.000 0.748 51 E HN 0.290 nan 8.360 nan 0.000 0.449 52 A N 1.167 123.987 122.820 -0.002 0.000 1.940 52 A HA -0.128 4.192 4.320 0.001 0.000 0.219 52 A C 2.381 180.004 177.584 0.064 0.000 1.176 52 A CA 2.135 54.182 52.037 0.018 0.000 0.631 52 A CB -0.520 18.478 19.000 -0.003 0.000 0.814 52 A HN 0.275 nan 8.150 nan 0.000 0.446 53 A N -0.192 122.695 122.820 0.111 0.000 1.898 53 A HA -0.134 4.186 4.320 0.001 0.000 0.216 53 A C 2.233 179.878 177.584 0.102 0.000 1.181 53 A CA 1.450 53.604 52.037 0.194 0.000 0.620 53 A CB -0.434 18.801 19.000 0.392 0.000 0.819 53 A HN 0.549 nan 8.150 nan 0.000 0.442 54 R N -0.648 119.894 120.500 0.071 0.000 2.096 54 R HA -0.067 4.274 4.340 0.001 0.000 0.235 54 R C 2.418 178.715 176.300 -0.003 0.000 1.127 54 R CA 1.464 57.581 56.100 0.029 0.000 0.968 54 R CB -0.277 30.037 30.300 0.024 0.000 0.861 54 R HN 0.473 nan 8.270 nan 0.000 0.440 55 R N 0.188 120.680 120.500 -0.013 0.000 2.092 55 R HA -0.030 4.310 4.340 0.001 0.000 0.231 55 R C 2.310 178.550 176.300 -0.100 0.000 1.119 55 R CA 1.192 57.260 56.100 -0.053 0.000 0.970 55 R CB -0.286 29.981 30.300 -0.056 0.000 0.864 55 R HN 0.202 nan 8.270 nan 0.000 0.440 56 A N 1.450 124.215 122.820 -0.093 0.000 1.902 56 A HA -0.123 4.197 4.320 0.001 0.000 0.217 56 A C 2.198 179.715 177.584 -0.111 0.000 1.181 56 A CA 1.072 53.009 52.037 -0.166 0.000 0.623 56 A CB -0.518 18.448 19.000 -0.057 0.000 0.818 56 A HN 0.153 nan 8.150 nan 0.000 0.443 57 L N -0.733 120.462 121.223 -0.045 0.000 2.012 57 L HA -0.229 4.111 4.340 0.001 0.000 0.210 57 L C 3.114 179.952 176.870 -0.053 0.000 1.073 57 L CA 1.243 56.062 54.840 -0.036 0.000 0.748 57 L CB -0.576 41.472 42.059 -0.017 0.000 0.891 57 L HN 0.441 nan 8.230 nan 0.000 0.431 58 A N -0.677 122.109 122.820 -0.056 0.000 1.972 58 A HA -0.229 4.091 4.320 0.001 0.000 0.219 58 A C 2.107 179.646 177.584 -0.076 0.000 1.169 58 A CA 1.457 53.459 52.037 -0.057 0.000 0.635 58 A CB -0.401 18.569 19.000 -0.051 0.000 0.810 58 A HN 0.538 nan 8.150 nan 0.000 0.446 59 Q N -1.551 118.183 119.800 -0.110 0.000 2.403 59 Q HA 0.253 4.593 4.340 0.001 0.000 0.203 59 Q C 0.959 176.885 176.000 -0.124 0.000 0.932 59 Q CA 0.288 56.010 55.803 -0.135 0.000 0.945 59 Q CB 0.092 28.704 28.738 -0.210 0.000 1.045 59 Q HN 0.861 nan 8.270 nan 0.000 0.511 60 G N 1.995 110.735 108.800 -0.099 0.000 2.198 60 G HA2 -0.232 3.729 3.960 0.001 0.000 0.257 60 G HA3 -0.232 3.729 3.960 0.001 0.000 0.257 60 G C -0.073 174.783 174.900 -0.074 0.000 1.042 60 G CA -0.150 44.906 45.100 -0.073 0.000 0.791 60 G HN 0.097 nan 8.290 nan 0.000 0.502 61 K N 1.288 121.623 120.400 -0.108 0.000 2.480 61 K HA 0.231 4.551 4.320 0.001 0.000 0.241 61 K C 1.351 177.968 176.600 0.029 0.000 1.261 61 K CA 0.795 57.038 56.287 -0.073 0.000 1.193 61 K CB -0.144 32.193 32.500 -0.273 0.000 1.598 61 K HN 0.650 nan 8.250 nan 0.000 0.278 62 T N -2.548 112.013 114.554 0.012 0.000 3.200 62 T HA 0.202 4.553 4.350 0.001 0.000 0.284 62 T C 0.429 175.109 174.700 -0.033 0.000 1.009 62 T CA -0.573 61.528 62.100 0.001 0.000 0.907 62 T CB 0.604 69.455 68.868 -0.027 0.000 1.120 62 T HN -0.064 nan 8.240 nan 0.000 0.534 63 K N 0.994 121.391 120.400 -0.004 0.000 2.177 63 K HA 0.446 4.766 4.320 0.001 0.000 0.238 63 K C -0.483 176.121 176.600 0.007 0.000 1.015 63 K CA -0.908 55.349 56.287 -0.049 0.000 0.922 63 K CB 0.489 32.999 32.500 0.018 0.000 1.127 63 K HN 0.148 nan 8.250 nan 0.000 0.469 64 Y N 0.340 120.674 120.300 0.056 0.000 2.702 64 Y HA 0.105 4.655 4.550 0.001 0.000 0.336 64 Y C 0.896 176.833 175.900 0.062 0.000 1.235 64 Y CA 0.228 58.360 58.100 0.053 0.000 1.492 64 Y CB 0.162 38.646 38.460 0.040 0.000 1.308 64 Y HN 0.540 nan 8.280 nan 0.000 0.589 65 A N 4.897 127.865 122.820 0.247 0.000 2.299 65 A HA 0.755 5.076 4.320 0.001 0.000 0.332 65 A C -2.614 175.030 177.584 0.100 0.000 1.131 65 A CA -2.114 50.009 52.037 0.144 0.000 0.844 65 A CB 0.567 19.627 19.000 0.099 0.000 1.251 65 A HN 0.519 nan 8.150 nan 0.000 0.486 66 P HA 0.215 nan 4.420 nan 0.000 0.272 66 P C -2.034 175.280 177.300 0.023 0.000 1.223 66 P CA -0.961 62.156 63.100 0.029 0.000 0.784 66 P CB 0.189 31.899 31.700 0.018 0.000 0.923 67 P HA -0.191 nan 4.420 nan 0.000 0.216 67 P C 0.880 178.192 177.300 0.020 0.000 1.150 67 P CA 1.821 64.929 63.100 0.013 0.000 0.843 67 P CB -0.218 31.484 31.700 0.003 0.000 0.787 68 A N -1.620 121.209 122.820 0.014 0.000 2.251 68 A HA 0.517 4.838 4.320 0.001 0.000 0.209 68 A C 1.024 178.616 177.584 0.014 0.000 1.187 68 A CA 0.758 52.805 52.037 0.017 0.000 0.823 68 A CB -0.685 18.321 19.000 0.010 0.000 0.846 68 A HN 0.322 nan 8.150 nan 0.000 0.486 69 G N -1.238 107.565 108.800 0.005 0.000 2.515 69 G HA2 0.112 4.072 3.960 0.001 0.000 0.686 69 G HA3 0.112 4.072 3.960 0.001 0.000 0.686 69 G C -0.674 174.192 174.900 -0.056 0.000 1.274 69 G CA -0.552 44.536 45.100 -0.020 0.000 0.874 69 G HN 0.463 nan 8.290 nan 0.000 0.631 70 I N 3.035 123.531 120.570 -0.123 0.000 2.668 70 I HA 0.217 4.387 4.170 0.001 0.000 0.285 70 I C 0.124 176.137 176.117 -0.173 0.000 1.168 70 I CA -1.313 59.873 61.300 -0.190 0.000 1.424 70 I CB 1.198 38.931 38.000 -0.445 0.000 1.377 70 I HN 0.406 nan 8.210 nan 0.000 0.560 71 P HA -0.239 nan 4.420 nan 0.000 0.217 71 P C 1.029 178.267 177.300 -0.103 0.000 1.151 71 P CA 1.544 64.599 63.100 -0.074 0.000 0.849 71 P CB 0.271 31.953 31.700 -0.030 0.000 0.787 72 E N -0.280 119.826 120.200 -0.157 0.000 2.110 72 E HA -0.098 4.252 4.350 0.001 0.000 0.193 72 E C 2.220 178.704 176.600 -0.194 0.000 0.988 72 E CA 0.678 56.981 56.400 -0.161 0.000 0.804 72 E CB -0.933 28.639 29.700 -0.214 0.000 0.745 72 E HN 0.222 nan 8.360 nan 0.000 0.458 73 L N 0.257 121.323 121.223 -0.262 0.000 2.072 73 L HA -0.105 4.235 4.340 0.001 0.000 0.205 73 L C 2.170 178.938 176.870 -0.169 0.000 1.079 73 L CA 1.134 55.833 54.840 -0.236 0.000 0.752 73 L CB -0.041 41.866 42.059 -0.255 0.000 0.906 73 L HN 0.104 nan 8.230 nan 0.000 0.436 74 R N -0.378 120.049 120.500 -0.121 0.000 2.120 74 R HA -0.211 4.130 4.340 0.001 0.000 0.234 74 R C 1.996 178.262 176.300 -0.056 0.000 1.123 74 R CA 1.325 57.386 56.100 -0.066 0.000 0.975 74 R CB -0.136 30.142 30.300 -0.037 0.000 0.866 74 R HN 0.378 nan 8.270 nan 0.000 0.446 75 E N 0.601 120.760 120.200 -0.068 0.000 2.047 75 E HA -0.114 4.237 4.350 0.001 0.000 0.191 75 E C 1.969 178.529 176.600 -0.067 0.000 0.987 75 E CA 1.241 57.610 56.400 -0.050 0.000 0.799 75 E CB -0.022 29.651 29.700 -0.046 0.000 0.752 75 E HN 0.353 nan 8.360 nan 0.000 0.449 76 A N 0.325 123.081 122.820 -0.105 0.000 1.972 76 A HA -0.147 4.174 4.320 0.001 0.000 0.219 76 A C 1.971 179.445 177.584 -0.183 0.000 1.169 76 A CA 0.889 52.846 52.037 -0.134 0.000 0.635 76 A CB -0.405 18.499 19.000 -0.159 0.000 0.810 76 A HN 0.216 nan 8.150 nan 0.000 0.446 77 L N -0.493 120.607 121.223 -0.205 0.000 2.056 77 L HA -0.070 4.271 4.340 0.001 0.000 0.207 77 L C 2.927 179.750 176.870 -0.079 0.000 1.078 77 L CA 1.803 56.478 54.840 -0.275 0.000 0.749 77 L CB -1.327 40.624 42.059 -0.179 0.000 0.901 77 L HN 0.408 nan 8.230 nan 0.000 0.433 78 A N -1.024 121.812 122.820 0.027 0.000 1.902 78 A HA -0.167 4.153 4.320 0.001 0.000 0.217 78 A C 2.143 179.759 177.584 0.053 0.000 1.181 78 A CA 1.394 53.488 52.037 0.096 0.000 0.623 78 A CB -0.326 18.704 19.000 0.049 0.000 0.818 78 A HN 0.389 nan 8.150 nan 0.000 0.443 79 E N 0.022 120.212 120.200 -0.016 0.000 2.106 79 E HA -0.163 4.187 4.350 0.001 0.000 0.192 79 E C 1.983 178.557 176.600 -0.043 0.000 0.984 79 E CA 1.155 57.541 56.400 -0.024 0.000 0.806 79 E CB -0.327 29.348 29.700 -0.042 0.000 0.750 79 E HN 0.638 nan 8.360 nan 0.000 0.458 80 K N 0.488 120.811 120.400 -0.128 0.000 2.002 80 K HA -0.115 4.205 4.320 0.001 0.000 0.209 80 K C 2.054 178.569 176.600 -0.143 0.000 1.048 80 K CA 0.954 57.125 56.287 -0.194 0.000 0.930 80 K CB -0.355 31.911 32.500 -0.389 0.000 0.714 80 K HN 0.029 nan 8.250 nan 0.000 0.438 81 F N 1.352 121.288 119.950 -0.023 0.000 2.171 81 F HA -0.081 4.447 4.527 0.001 0.000 0.300 81 F C 2.819 178.612 175.800 -0.012 0.000 1.090 81 F CA 1.520 59.513 58.000 -0.011 0.000 1.293 81 F CB -0.483 38.509 39.000 -0.015 0.000 1.013 81 F HN 0.150 nan 8.300 nan 0.000 0.486 82 R N 0.339 120.935 120.500 0.159 0.000 2.062 82 R HA -0.077 4.263 4.340 0.001 0.000 0.226 82 R C 2.502 178.836 176.300 0.058 0.000 1.125 82 R CA 1.187 57.340 56.100 0.088 0.000 0.966 82 R CB -0.234 30.103 30.300 0.062 0.000 0.861 82 R HN 0.130 nan 8.270 nan 0.000 0.433 83 R N 0.432 120.957 120.500 0.041 0.000 2.062 83 R HA -0.102 4.238 4.340 0.001 0.000 0.231 83 R C 1.673 178.000 176.300 0.045 0.000 1.136 83 R CA 2.043 58.163 56.100 0.032 0.000 0.948 83 R CB -0.086 30.224 30.300 0.015 0.000 0.845 83 R HN 0.357 nan 8.270 nan 0.000 0.430 84 E N -0.586 119.644 120.200 0.050 0.000 2.230 84 E HA -0.061 4.289 4.350 0.001 0.000 0.192 84 E C 0.965 177.614 176.600 0.082 0.000 0.987 84 E CA 1.058 57.500 56.400 0.070 0.000 0.841 84 E CB 0.157 29.903 29.700 0.077 0.000 0.783 84 E HN 0.540 nan 8.360 nan 0.000 0.481 85 N N -0.826 117.929 118.700 0.092 0.000 2.197 85 N HA 0.119 4.859 4.740 0.001 0.000 0.201 85 N C 0.609 176.130 175.510 0.017 0.000 1.148 85 N CA 0.330 53.429 53.050 0.082 0.000 0.883 85 N CB 1.652 40.236 38.487 0.161 0.000 1.012 85 N HN 0.129 nan 8.380 nan 0.000 0.507 86 G N 0.927 109.748 108.800 0.035 0.000 2.179 86 G HA2 -0.242 3.718 3.960 0.001 0.000 0.257 86 G HA3 -0.242 3.718 3.960 0.001 0.000 0.257 86 G C -0.510 174.389 174.900 -0.002 0.000 1.010 86 G CA -0.070 45.038 45.100 0.012 0.000 0.736 86 G HN 0.086 nan 8.290 nan 0.000 0.513 87 L N 1.200 122.437 121.223 0.023 0.000 2.292 87 L HA 0.556 4.896 4.340 0.001 0.000 0.284 87 L C 0.854 177.735 176.870 0.019 0.000 1.065 87 L CA -0.388 54.454 54.840 0.002 0.000 0.806 87 L CB 1.686 43.740 42.059 -0.008 0.000 1.175 87 L HN 0.100 nan 8.230 nan 0.000 0.431 88 S N 3.092 118.792 115.700 -0.001 0.000 3.483 88 S HA 0.440 4.910 4.470 0.001 0.000 0.274 88 S C -0.044 174.555 174.600 -0.002 0.000 1.289 88 S CA -0.571 57.633 58.200 0.006 0.000 0.938 88 S CB -0.156 63.046 63.200 0.003 0.000 1.453 88 S HN 0.428 nan 8.310 nan 0.000 0.494 89 V N 0.458 120.379 119.914 0.011 0.000 2.914 89 V HA 0.890 5.010 4.120 0.001 0.000 0.314 89 V C 0.101 176.208 176.094 0.020 0.000 1.084 89 V CA -1.002 61.299 62.300 0.003 0.000 0.963 89 V CB 1.626 33.437 31.823 -0.020 0.000 1.025 89 V HN 0.552 nan 8.190 nan 0.000 0.432 90 T N -0.193 114.367 114.554 0.010 0.000 2.936 90 T HA 0.610 4.961 4.350 0.001 0.000 0.282 90 T C -2.022 172.689 174.700 0.018 0.000 1.003 90 T CA -1.930 60.178 62.100 0.013 0.000 1.005 90 T CB 1.564 70.434 68.868 0.004 0.000 1.097 90 T HN 0.500 nan 8.240 nan 0.000 0.532 91 P HA -0.040 nan 4.420 nan 0.000 0.218 91 P C 0.950 178.256 177.300 0.009 0.000 1.148 91 P CA 0.924 64.031 63.100 0.012 0.000 0.822 91 P CB -0.003 31.697 31.700 -0.000 0.000 0.784 92 E N -0.421 119.781 120.200 0.004 0.000 2.409 92 E HA -0.116 4.234 4.350 0.001 0.000 0.198 92 E C 0.799 177.397 176.600 -0.004 0.000 1.024 92 E CA 0.751 57.151 56.400 -0.000 0.000 0.861 92 E CB -0.617 29.082 29.700 -0.002 0.000 0.788 92 E HN 0.468 nan 8.360 nan 0.000 0.521 93 E N -0.137 120.060 120.200 -0.005 0.000 2.496 93 E HA 0.156 4.506 4.350 0.001 0.000 0.202 93 E C -0.404 176.182 176.600 -0.023 0.000 1.021 93 E CA -0.020 56.367 56.400 -0.022 0.000 1.015 93 E CB 0.847 30.527 29.700 -0.032 0.000 1.102 93 E HN -0.084 nan 8.360 nan 0.000 0.452 94 T N 0.989 115.550 114.554 0.012 0.000 2.907 94 T HA 0.611 4.961 4.350 0.001 0.000 0.292 94 T C -1.077 173.656 174.700 0.055 0.000 1.043 94 T CA -0.477 61.658 62.100 0.059 0.000 1.003 94 T CB 1.767 70.695 68.868 0.100 0.000 1.084 94 T HN 0.082 nan 8.240 nan 0.000 0.483 95 I N 2.073 122.700 120.570 0.094 0.000 2.722 95 I HA 0.571 4.741 4.170 0.001 0.000 0.292 95 I C -1.535 174.662 176.117 0.133 0.000 1.267 95 I CA -0.845 60.503 61.300 0.080 0.000 1.036 95 I CB 1.667 39.695 38.000 0.046 0.000 1.281 95 I HN 0.346 nan 8.210 nan 0.000 0.423 96 V N 5.692 125.668 119.914 0.104 0.000 2.427 96 V HA 0.601 4.722 4.120 0.001 0.000 0.286 96 V C 0.311 176.465 176.094 0.101 0.000 1.034 96 V CA -0.199 62.182 62.300 0.135 0.000 0.893 96 V CB 1.433 33.307 31.823 0.085 0.000 0.982 96 V HN 0.852 nan 8.190 nan 0.000 0.452 97 T N 0.772 115.387 114.554 0.102 0.000 2.888 97 T HA 0.581 4.931 4.350 0.001 0.000 0.288 97 T C -0.408 174.330 174.700 0.062 0.000 1.063 97 T CA -0.779 61.364 62.100 0.072 0.000 1.010 97 T CB 1.725 70.630 68.868 0.063 0.000 1.214 97 T HN 0.174 nan 8.240 nan 0.000 0.533 98 V N 2.175 122.122 119.914 0.055 0.000 2.149 98 V HA 0.546 4.666 4.120 0.001 0.000 0.245 98 V C 1.280 177.398 176.094 0.040 0.000 1.349 98 V CA 0.817 63.147 62.300 0.049 0.000 1.289 98 V CB -1.160 30.684 31.823 0.036 0.000 1.401 98 V HN 1.483 nan 8.190 nan 0.000 0.501 99 G N 3.678 112.496 108.800 0.030 0.000 2.758 99 G HA2 0.007 3.967 3.960 0.001 0.000 0.686 99 G HA3 0.007 3.967 3.960 0.001 0.000 0.686 99 G C 0.723 175.614 174.900 -0.015 0.000 1.389 99 G CA -0.329 44.775 45.100 0.006 0.000 0.845 99 G HN 0.930 nan 8.290 nan 0.000 0.572 100 G N -0.189 108.576 108.800 -0.059 0.000 2.443 100 G HA2 0.136 4.097 3.960 0.001 0.000 0.219 100 G HA3 0.136 4.097 3.960 0.001 0.000 0.219 100 G C 2.257 177.194 174.900 0.061 0.000 1.131 100 G CA 2.099 47.164 45.100 -0.059 0.000 0.775 100 G HN 2.088 nan 8.290 nan 0.000 0.547 101 S N 0.050 115.826 115.700 0.125 0.000 2.370 101 S HA -0.211 4.260 4.470 0.001 0.000 0.226 101 S C 2.154 176.872 174.600 0.197 0.000 1.033 101 S CA 1.600 59.946 58.200 0.243 0.000 1.011 101 S CB -0.440 62.905 63.200 0.242 0.000 0.852 101 S HN 0.479 nan 8.310 nan 0.000 0.457 102 Q N 0.937 120.811 119.800 0.122 0.000 2.230 102 Q HA 0.061 4.401 4.340 0.001 0.000 0.202 102 Q C 2.246 178.340 176.000 0.157 0.000 0.963 102 Q CA 0.943 56.830 55.803 0.139 0.000 0.866 102 Q CB -0.418 28.364 28.738 0.074 0.000 0.931 102 Q HN 0.741 nan 8.270 nan 0.000 0.452 103 A N 0.695 123.572 122.820 0.095 0.000 1.898 103 A HA -0.147 4.174 4.320 0.001 0.000 0.216 103 A C 1.987 179.574 177.584 0.005 0.000 1.181 103 A CA 0.972 53.034 52.037 0.042 0.000 0.620 103 A CB -0.579 18.430 19.000 0.015 0.000 0.819 103 A HN 0.402 nan 8.150 nan 0.000 0.442 104 L N -2.213 119.045 121.223 0.057 0.000 2.056 104 L HA -0.122 4.218 4.340 0.001 0.000 0.207 104 L C 2.465 179.345 176.870 0.017 0.000 1.078 104 L CA 1.551 56.382 54.840 -0.016 0.000 0.749 104 L CB -0.531 41.684 42.059 0.261 0.000 0.901 104 L HN 0.502 nan 8.230 nan 0.000 0.433 105 F N 1.355 121.354 119.950 0.082 0.000 2.075 105 F HA -0.242 4.286 4.527 0.001 0.000 0.297 105 F C 2.328 178.179 175.800 0.085 0.000 1.113 105 F CA 1.780 59.861 58.000 0.135 0.000 1.218 105 F CB -0.238 38.814 39.000 0.086 0.000 0.984 105 F HN 0.097 nan 8.300 nan 0.000 0.472 106 N N 0.761 119.554 118.700 0.155 0.000 2.166 106 N HA -0.188 4.552 4.740 0.001 0.000 0.186 106 N C 2.004 177.449 175.510 -0.108 0.000 1.019 106 N CA 1.374 54.442 53.050 0.030 0.000 0.856 106 N CB -0.718 37.821 38.487 0.086 0.000 0.993 106 N HN 0.438 nan 8.380 nan 0.000 0.426 107 L N -0.497 120.615 121.223 -0.185 0.000 1.989 107 L HA -0.147 4.193 4.340 0.001 0.000 0.211 107 L C 1.606 178.300 176.870 -0.294 0.000 1.071 107 L CA 1.443 56.093 54.840 -0.316 0.000 0.749 107 L CB -0.255 41.508 42.059 -0.493 0.000 0.890 107 L HN -0.029 nan 8.230 nan 0.000 0.431 108 F N -0.155 119.718 119.950 -0.128 0.000 2.216 108 F HA -0.189 4.338 4.527 0.001 0.000 0.300 108 F C 2.708 178.401 175.800 -0.177 0.000 1.085 108 F CA 0.890 58.806 58.000 -0.140 0.000 1.326 108 F CB -0.730 38.198 39.000 -0.119 0.000 1.027 108 F HN 0.204 nan 8.300 nan 0.000 0.497 109 Q N -0.409 119.331 119.800 -0.099 0.000 2.230 109 Q HA 0.024 4.365 4.340 0.001 0.000 0.202 109 Q C 2.368 178.325 176.000 -0.071 0.000 0.963 109 Q CA 1.189 56.909 55.803 -0.140 0.000 0.866 109 Q CB -0.496 28.092 28.738 -0.250 0.000 0.931 109 Q HN 0.418 nan 8.270 nan 0.000 0.452 110 A N 0.574 123.348 122.820 -0.077 0.000 2.081 110 A HA 0.044 4.364 4.320 0.001 0.000 0.214 110 A C 1.800 179.350 177.584 -0.057 0.000 1.158 110 A CA 0.521 52.517 52.037 -0.067 0.000 0.724 110 A CB -0.105 18.841 19.000 -0.091 0.000 0.826 110 A HN 0.422 nan 8.150 nan 0.000 0.463 111 I N -4.394 116.148 120.570 -0.046 0.000 4.288 111 I HA 0.413 4.584 4.170 0.001 0.000 0.331 111 I C -0.369 175.788 176.117 0.067 0.000 1.322 111 I CA -0.205 61.094 61.300 -0.002 0.000 1.149 111 I CB 0.287 38.235 38.000 -0.087 0.000 1.112 111 I HN -0.102 nan 8.210 nan 0.000 0.403 112 L N 2.803 124.060 121.223 0.058 0.000 2.295 112 L HA 0.549 4.889 4.340 0.001 0.000 0.285 112 L C -0.896 175.980 176.870 0.010 0.000 1.035 112 L CA -0.386 54.482 54.840 0.046 0.000 0.806 112 L CB 1.248 43.332 42.059 0.041 0.000 1.214 112 L HN 0.089 nan 8.230 nan 0.000 0.426 113 D N 3.730 124.135 120.400 0.008 0.000 2.269 113 D HA 0.345 4.985 4.640 0.001 0.000 0.244 113 D C -2.385 173.903 176.300 -0.020 0.000 0.992 113 D CA -1.317 52.678 54.000 -0.007 0.000 0.894 113 D CB 2.064 42.865 40.800 0.003 0.000 1.248 113 D HN 0.221 nan 8.370 nan 0.000 0.468 114 P HA 0.056 nan 4.420 nan 0.000 0.261 114 P C 0.711 177.992 177.300 -0.032 0.000 1.183 114 P CA 0.495 63.571 63.100 -0.041 0.000 0.761 114 P CB 0.738 32.411 31.700 -0.045 0.000 0.785 115 G N 2.881 111.659 108.800 -0.036 0.000 2.339 115 G HA2 -0.166 3.794 3.960 0.001 0.000 0.209 115 G HA3 -0.166 3.794 3.960 0.001 0.000 0.209 115 G C -0.144 174.738 174.900 -0.031 0.000 1.015 115 G CA -0.375 44.707 45.100 -0.031 0.000 0.635 115 G HN 0.500 nan 8.290 nan 0.000 0.499 116 D N 2.279 122.664 120.400 -0.025 0.000 2.488 116 D HA 0.420 5.061 4.640 0.001 0.000 0.238 116 D C 0.683 176.956 176.300 -0.045 0.000 1.138 116 D CA 0.613 54.601 54.000 -0.020 0.000 0.873 116 D CB 0.685 41.488 40.800 0.005 0.000 1.183 116 D HN 0.600 nan 8.370 nan 0.000 0.458 117 E N 0.221 120.388 120.200 -0.055 0.000 2.242 117 E HA 0.525 4.876 4.350 0.001 0.000 0.275 117 E C -0.738 175.797 176.600 -0.108 0.000 1.002 117 E CA -0.919 55.429 56.400 -0.086 0.000 0.841 117 E CB 1.893 31.539 29.700 -0.089 0.000 1.109 117 E HN 0.056 nan 8.360 nan 0.000 0.394 118 V N 3.505 123.341 119.914 -0.130 0.000 2.525 118 V HA 0.298 4.419 4.120 0.001 0.000 0.299 118 V C -0.324 175.687 176.094 -0.139 0.000 1.034 118 V CA -0.674 61.544 62.300 -0.137 0.000 0.863 118 V CB 1.365 33.079 31.823 -0.181 0.000 0.999 118 V HN 0.579 nan 8.190 nan 0.000 0.423 119 I N 4.868 125.352 120.570 -0.143 0.000 2.416 119 I HA 0.367 4.537 4.170 0.001 0.000 0.288 119 I C -0.362 175.726 176.117 -0.049 0.000 1.051 119 I CA -0.210 61.031 61.300 -0.099 0.000 1.375 119 I CB 1.314 39.243 38.000 -0.118 0.000 1.407 119 I HN 0.280 nan 8.210 nan 0.000 0.516 120 V N 7.528 127.435 119.914 -0.012 0.000 2.540 120 V HA 0.366 4.486 4.120 0.001 0.000 0.302 120 V C -0.023 176.179 176.094 0.180 0.000 1.035 120 V CA -0.693 61.632 62.300 0.040 0.000 0.873 120 V CB 1.897 33.672 31.823 -0.081 0.000 0.992 120 V HN 0.457 nan 8.190 nan 0.000 0.428 121 L N 4.705 126.070 121.223 0.236 0.000 2.278 121 L HA 0.465 4.805 4.340 0.001 0.000 0.287 121 L C 0.649 177.729 176.870 0.349 0.000 1.072 121 L CA 0.018 55.012 54.840 0.256 0.000 0.819 121 L CB 1.238 43.433 42.059 0.226 0.000 1.176 121 L HN 0.796 nan 8.230 nan 0.000 0.435 122 S N 3.250 119.112 115.700 0.271 0.000 2.585 122 S HA 0.593 5.063 4.470 0.001 0.000 0.277 122 S C -2.575 172.045 174.600 0.032 0.000 1.241 122 S CA -1.680 56.564 58.200 0.074 0.000 1.041 122 S CB 1.372 64.552 63.200 -0.034 0.000 0.987 122 S HN 0.271 nan 8.310 nan 0.000 0.512 123 P HA 0.271 nan 4.420 nan 0.000 0.271 123 P C -1.045 176.199 177.300 -0.093 0.000 1.216 123 P CA -0.101 62.823 63.100 -0.293 0.000 0.776 123 P CB 0.023 31.486 31.700 -0.395 0.000 0.881 124 Y N -0.131 120.267 120.300 0.164 0.000 2.598 124 Y HA 0.621 5.171 4.550 0.000 0.000 0.340 124 Y C -0.734 175.373 175.900 0.345 0.000 1.038 124 Y CA -2.272 55.999 58.100 0.286 0.000 1.100 124 Y CB 0.129 38.794 38.460 0.342 0.000 1.281 124 Y HN 0.344 nan 8.280 nan 0.000 0.488 125 W N 2.948 124.408 121.300 0.266 0.000 2.308 125 W HA 0.345 5.005 4.660 0.000 0.000 0.324 125 W C 0.668 177.127 176.519 -0.100 0.000 1.387 125 W CA -0.824 56.505 57.345 -0.027 0.000 1.250 125 W CB 0.766 29.916 29.460 -0.516 0.000 1.257 125 W HN 0.580 nan 8.180 nan 0.000 0.554 126 V N 4.504 124.155 119.914 -0.437 0.000 2.311 126 V HA -0.421 3.699 4.120 0.001 0.000 0.256 126 V C 2.201 177.907 176.094 -0.646 0.000 1.077 126 V CA 2.729 64.675 62.300 -0.590 0.000 1.067 126 V CB -1.257 30.117 31.823 -0.748 0.000 0.659 126 V HN 0.755 nan 8.190 nan 0.000 0.451 127 S N -1.826 113.174 115.700 -1.167 0.000 2.423 127 S HA -0.124 4.346 4.470 0.001 0.000 0.231 127 S C 1.745 176.095 174.600 -0.418 0.000 1.014 127 S CA 1.073 58.721 58.200 -0.920 0.000 0.965 127 S CB -0.371 61.970 63.200 -1.431 0.000 0.785 127 S HN 0.604 nan 8.310 nan 0.000 0.495 128 Y N 2.090 122.237 120.300 -0.256 0.000 2.053 128 Y HA -0.109 4.441 4.550 0.001 0.000 0.277 128 Y C -0.163 175.574 175.900 -0.273 0.000 1.159 128 Y CA 0.563 58.598 58.100 -0.108 0.000 1.125 128 Y CB -2.361 36.080 38.460 -0.031 0.000 0.969 128 Y HN 0.275 nan 8.280 nan 0.000 0.492 129 P HA -0.131 nan 4.420 nan 0.000 0.218 129 P C 1.217 178.415 177.300 -0.170 0.000 1.149 129 P CA 1.548 64.495 63.100 -0.255 0.000 0.817 129 P CB 0.130 31.632 31.700 -0.329 0.000 0.785 130 E N 0.045 120.156 120.200 -0.148 0.000 2.031 130 E HA -0.129 4.221 4.350 0.001 0.000 0.193 130 E C 2.248 178.841 176.600 -0.010 0.000 0.994 130 E CA 1.296 57.644 56.400 -0.086 0.000 0.800 130 E CB -0.815 28.802 29.700 -0.139 0.000 0.752 130 E HN 0.361 nan 8.360 nan 0.000 0.447 131 M N 0.241 119.838 119.600 -0.006 0.000 2.159 131 M HA -0.139 4.342 4.480 0.001 0.000 0.263 131 M C 2.442 178.698 176.300 -0.073 0.000 1.063 131 M CA 0.965 56.328 55.300 0.105 0.000 1.110 131 M CB -0.258 32.519 32.600 0.295 0.000 1.374 131 M HN -0.068 nan 8.290 nan 0.000 0.411 132 V N 0.414 120.124 119.914 -0.341 0.000 2.261 132 V HA -0.266 3.854 4.120 0.001 0.000 0.246 132 V C 2.325 178.295 176.094 -0.207 0.000 1.047 132 V CA 1.897 63.900 62.300 -0.495 0.000 1.015 132 V CB -0.698 30.795 31.823 -0.549 0.000 0.642 132 V HN 0.435 nan 8.190 nan 0.000 0.446 133 R N -1.144 119.288 120.500 -0.113 0.000 2.096 133 R HA -0.145 4.196 4.340 0.001 0.000 0.235 133 R C 2.212 178.521 176.300 0.015 0.000 1.127 133 R CA 1.641 57.712 56.100 -0.048 0.000 0.968 133 R CB -0.493 29.791 30.300 -0.026 0.000 0.861 133 R HN 0.470 nan 8.270 nan 0.000 0.440 134 F N 1.111 121.023 119.950 -0.064 0.000 2.269 134 F HA -0.123 4.404 4.527 0.001 0.000 0.301 134 F C 2.009 177.783 175.800 -0.043 0.000 1.082 134 F CA 1.243 59.235 58.000 -0.013 0.000 1.360 134 F CB 0.029 39.074 39.000 0.075 0.000 1.041 134 F HN -0.028 nan 8.300 nan 0.000 0.512 135 A N -0.958 121.861 122.820 -0.001 0.000 2.275 135 A HA 0.447 4.767 4.320 0.001 0.000 0.212 135 A C 1.785 179.313 177.584 -0.094 0.000 1.201 135 A CA 0.684 52.676 52.037 -0.074 0.000 0.843 135 A CB -0.920 18.051 19.000 -0.047 0.000 0.873 135 A HN 0.775 nan 8.150 nan 0.000 0.492 136 G N -1.783 106.957 108.800 -0.100 0.000 2.159 136 G HA2 -0.026 3.934 3.960 0.001 0.000 0.227 136 G HA3 -0.026 3.934 3.960 0.001 0.000 0.227 136 G C 0.696 175.550 174.900 -0.078 0.000 0.986 136 G CA 0.184 45.230 45.100 -0.090 0.000 0.651 136 G HN 1.321 nan 8.290 nan 0.000 0.523 137 G N -1.001 107.743 108.800 -0.094 0.000 2.537 137 G HA2 0.611 4.571 3.960 0.001 0.000 0.273 137 G HA3 0.611 4.571 3.960 0.001 0.000 0.273 137 G C -0.120 174.717 174.900 -0.104 0.000 1.189 137 G CA 0.124 45.162 45.100 -0.103 0.000 0.881 137 G HN 0.961 nan 8.290 nan 0.000 0.535 138 V N 0.649 120.505 119.914 -0.097 0.000 2.398 138 V HA 0.250 4.371 4.120 0.001 0.000 0.286 138 V C 0.138 176.169 176.094 -0.105 0.000 1.026 138 V CA -0.681 61.568 62.300 -0.085 0.000 0.868 138 V CB 1.538 33.323 31.823 -0.062 0.000 0.982 138 V HN 0.487 nan 8.190 nan 0.000 0.443 139 V N 5.979 125.831 119.914 -0.104 0.000 2.427 139 V HA 0.223 4.344 4.120 0.001 0.000 0.268 139 V C 0.127 176.179 176.094 -0.070 0.000 1.046 139 V CA -0.255 61.976 62.300 -0.116 0.000 0.970 139 V CB 1.340 33.081 31.823 -0.136 0.000 1.001 139 V HN 0.613 nan 8.190 nan 0.000 0.476 140 V N 5.299 125.171 119.914 -0.070 0.000 2.293 140 V HA 0.281 4.401 4.120 0.001 0.000 0.275 140 V C 0.323 176.413 176.094 -0.006 0.000 1.021 140 V CA -0.505 61.772 62.300 -0.038 0.000 0.815 140 V CB 1.208 32.994 31.823 -0.060 0.000 1.025 140 V HN 0.954 nan 8.190 nan 0.000 0.448 141 E N 4.311 124.537 120.200 0.044 0.000 2.259 141 E HA 0.422 4.772 4.350 0.001 0.000 0.281 141 E C -1.248 175.413 176.600 0.103 0.000 1.037 141 E CA -0.339 56.130 56.400 0.116 0.000 0.854 141 E CB 1.520 31.344 29.700 0.206 0.000 1.051 141 E HN 0.453 nan 8.360 nan 0.000 0.409 142 V N 5.120 125.100 119.914 0.110 0.000 2.384 142 V HA 0.168 4.288 4.120 0.001 0.000 0.287 142 V C 0.073 176.234 176.094 0.112 0.000 1.020 142 V CA -0.665 61.687 62.300 0.086 0.000 0.850 142 V CB 1.433 33.290 31.823 0.058 0.000 0.987 142 V HN 0.766 nan 8.190 nan 0.000 0.436 143 E N 2.497 122.756 120.200 0.097 0.000 2.373 143 E HA 0.298 4.649 4.350 0.001 0.000 0.267 143 E C -0.516 176.139 176.600 0.092 0.000 1.032 143 E CA -0.051 56.410 56.400 0.103 0.000 0.889 143 E CB 0.939 30.696 29.700 0.095 0.000 0.984 143 E HN 0.678 nan 8.360 nan 0.000 0.425 144 T N 4.265 118.895 114.554 0.127 0.000 2.807 144 T HA 0.398 4.749 4.350 0.001 0.000 0.279 144 T C -0.563 174.222 174.700 0.142 0.000 0.993 144 T CA -0.584 61.601 62.100 0.142 0.000 0.970 144 T CB 0.450 69.449 68.868 0.218 0.000 0.950 144 T HN 0.328 nan 8.240 nan 0.000 0.441 145 L N 5.998 127.216 121.223 -0.009 0.000 2.325 145 L HA 0.354 4.694 4.340 0.001 0.000 0.279 145 L C -1.559 174.976 176.870 -0.558 0.000 1.054 145 L CA -2.369 52.369 54.840 -0.169 0.000 0.804 145 L CB 1.533 43.527 42.059 -0.108 0.000 1.200 145 L HN 0.398 nan 8.230 nan 0.000 0.436 146 P HA -0.188 nan 4.420 nan 0.000 0.215 146 P C 1.113 178.094 177.300 -0.533 0.000 1.157 146 P CA 1.068 63.488 63.100 -1.134 0.000 0.868 146 P CB 0.124 31.507 31.700 -0.528 0.000 0.788 147 E N 0.419 120.444 120.200 -0.290 0.000 2.333 147 E HA -0.185 4.165 4.350 0.001 0.000 0.198 147 E C 0.856 177.372 176.600 -0.141 0.000 1.007 147 E CA 1.155 57.459 56.400 -0.160 0.000 0.845 147 E CB -0.855 28.787 29.700 -0.097 0.000 0.766 147 E HN 0.440 nan 8.360 nan 0.000 0.507 148 E N 0.237 120.329 120.200 -0.180 0.000 2.451 148 E HA 0.218 4.569 4.350 0.001 0.000 0.194 148 E C 0.480 177.019 176.600 -0.103 0.000 1.027 148 E CA 0.132 56.463 56.400 -0.115 0.000 0.914 148 E CB 0.445 30.089 29.700 -0.093 0.000 1.054 148 E HN 0.419 nan 8.360 nan 0.000 0.461 149 G N 1.165 109.873 108.800 -0.153 0.000 2.168 149 G HA2 -0.341 3.619 3.960 0.001 0.000 0.257 149 G HA3 -0.341 3.619 3.960 0.001 0.000 0.257 149 G C 0.423 175.379 174.900 0.094 0.000 0.997 149 G CA 0.258 45.330 45.100 -0.046 0.000 0.708 149 G HN 0.392 nan 8.290 nan 0.000 0.520 150 F N -3.414 116.545 119.950 0.015 0.000 2.988 150 F HA -0.216 4.311 4.527 0.000 0.000 0.287 150 F C 1.009 176.823 175.800 0.024 0.000 0.781 150 F CA 0.616 58.630 58.000 0.023 0.000 1.221 150 F CB -1.857 37.166 39.000 0.039 0.000 1.392 150 F HN 0.343 nan 8.300 nan 0.000 0.425 151 V N 2.382 122.337 119.914 0.068 0.000 2.439 151 V HA 0.396 4.516 4.120 0.001 0.000 0.282 151 V C -1.361 174.601 176.094 -0.220 0.000 1.039 151 V CA -1.579 60.624 62.300 -0.161 0.000 0.913 151 V CB 1.485 33.257 31.823 -0.086 0.000 0.983 151 V HN -0.102 nan 8.190 nan 0.000 0.460 152 P HA 0.087 nan 4.420 nan 0.000 0.269 152 P C -0.965 176.254 177.300 -0.134 0.000 1.209 152 P CA -0.143 62.833 63.100 -0.207 0.000 0.776 152 P CB 0.894 32.456 31.700 -0.229 0.000 0.876 153 D N 2.805 123.166 120.400 -0.066 0.000 2.373 153 D HA 0.216 4.857 4.640 0.001 0.000 0.227 153 D C -1.699 174.589 176.300 -0.021 0.000 1.091 153 D CA -2.493 51.483 54.000 -0.041 0.000 0.840 153 D CB 0.968 41.753 40.800 -0.025 0.000 1.060 153 D HN 0.025 nan 8.370 nan 0.000 0.502 154 P HA -0.165 nan 4.420 nan 0.000 0.217 154 P C 0.987 178.299 177.300 0.019 0.000 1.148 154 P CA 0.913 64.019 63.100 0.010 0.000 0.834 154 P CB 0.521 32.227 31.700 0.010 0.000 0.783 155 E N -0.347 119.858 120.200 0.009 0.000 2.072 155 E HA -0.142 4.208 4.350 0.001 0.000 0.191 155 E C 2.054 178.660 176.600 0.011 0.000 0.985 155 E CA 1.284 57.692 56.400 0.012 0.000 0.801 155 E CB -0.429 29.275 29.700 0.007 0.000 0.750 155 E HN 0.101 nan 8.360 nan 0.000 0.452 156 R N -0.458 120.047 120.500 0.007 0.000 2.081 156 R HA -0.068 4.272 4.340 0.001 0.000 0.235 156 R C 2.355 178.660 176.300 0.009 0.000 1.131 156 R CA 1.366 57.471 56.100 0.008 0.000 0.960 156 R CB -0.376 29.930 30.300 0.010 0.000 0.856 156 R HN 0.117 nan 8.270 nan 0.000 0.436 157 V N 1.082 121.005 119.914 0.015 0.000 2.358 157 V HA -0.245 3.875 4.120 0.001 0.000 0.246 157 V C 2.473 178.570 176.094 0.005 0.000 1.047 157 V CA 1.776 64.088 62.300 0.019 0.000 1.035 157 V CB -0.613 31.237 31.823 0.045 0.000 0.658 157 V HN 0.326 nan 8.190 nan 0.000 0.452 158 R N 0.371 120.879 120.500 0.013 0.000 2.105 158 R HA -0.175 4.165 4.340 0.001 0.000 0.239 158 R C 2.457 178.733 176.300 -0.041 0.000 1.135 158 R CA 1.611 57.707 56.100 -0.008 0.000 0.967 158 R CB -0.170 30.148 30.300 0.031 0.000 0.861 158 R HN 0.459 nan 8.270 nan 0.000 0.442 159 R N -0.424 120.065 120.500 -0.019 0.000 2.148 159 R HA -0.016 4.324 4.340 0.001 0.000 0.227 159 R C 2.009 178.288 176.300 -0.034 0.000 1.103 159 R CA 1.052 57.141 56.100 -0.020 0.000 0.983 159 R CB -0.073 30.224 30.300 -0.005 0.000 0.874 159 R HN 0.220 nan 8.270 nan 0.000 0.451 160 A N 1.057 123.852 122.820 -0.042 0.000 2.208 160 A HA 0.120 4.440 4.320 0.001 0.000 0.209 160 A C 0.961 178.489 177.584 -0.094 0.000 1.161 160 A CA -0.019 51.986 52.037 -0.054 0.000 0.782 160 A CB -0.049 18.925 19.000 -0.043 0.000 0.816 160 A HN 0.078 nan 8.150 nan 0.000 0.477 161 I N 1.703 122.198 120.570 -0.126 0.000 2.588 161 I HA 0.202 4.373 4.170 0.001 0.000 0.283 161 I C 0.894 176.940 176.117 -0.118 0.000 1.119 161 I CA 0.309 61.503 61.300 -0.176 0.000 1.419 161 I CB 1.002 38.829 38.000 -0.288 0.000 1.394 161 I HN 0.357 nan 8.210 nan 0.000 0.562 162 T N 2.419 116.918 114.554 -0.091 0.000 2.838 162 T HA 0.432 4.782 4.350 0.001 0.000 0.292 162 T C -2.357 172.340 174.700 -0.005 0.000 1.113 162 T CA -1.646 60.431 62.100 -0.038 0.000 1.008 162 T CB 1.784 70.629 68.868 -0.038 0.000 1.259 162 T HN 0.207 nan 8.240 nan 0.000 0.520 163 P HA 0.150 nan 4.420 nan 0.000 0.230 163 P C 1.118 178.433 177.300 0.026 0.000 1.158 163 P CA 0.432 63.555 63.100 0.038 0.000 0.769 163 P CB 0.137 31.855 31.700 0.031 0.000 0.807 164 R N -1.727 118.773 120.500 -0.000 0.000 2.334 164 R HA 0.145 4.485 4.340 0.001 0.000 0.216 164 R C 0.221 176.504 176.300 -0.028 0.000 0.905 164 R CA 0.296 56.391 56.100 -0.009 0.000 1.064 164 R CB -0.394 29.894 30.300 -0.019 0.000 1.046 164 R HN 0.143 nan 8.270 nan 0.000 0.508 165 T N 1.959 116.477 114.554 -0.060 0.000 2.793 165 T HA 0.032 4.382 4.350 0.001 0.000 0.289 165 T C 1.148 175.802 174.700 -0.077 0.000 0.956 165 T CA 0.410 62.417 62.100 -0.156 0.000 1.177 165 T CB 1.182 69.852 68.868 -0.330 0.000 0.897 165 T HN -0.094 nan 8.240 nan 0.000 0.533 166 K N 1.165 121.537 120.400 -0.047 0.000 2.313 166 K HA 0.432 4.753 4.320 0.001 0.000 0.197 166 K C 0.551 177.270 176.600 0.199 0.000 1.061 166 K CA 0.223 56.574 56.287 0.106 0.000 0.980 166 K CB 0.727 33.302 32.500 0.125 0.000 0.888 166 K HN 0.735 nan 8.250 nan 0.000 0.502 167 A N 0.662 123.504 122.820 0.035 0.000 2.610 167 A HA 0.590 4.910 4.320 0.001 0.000 0.291 167 A C -2.074 175.471 177.584 -0.065 0.000 1.086 167 A CA -0.735 51.388 52.037 0.142 0.000 0.677 167 A CB 1.207 20.380 19.000 0.288 0.000 1.278 167 A HN 0.049 nan 8.150 nan 0.000 0.414 168 L N 0.956 122.237 121.223 0.097 0.000 2.409 168 L HA 0.761 5.102 4.340 0.001 0.000 0.272 168 L C -1.374 175.568 176.870 0.121 0.000 0.980 168 L CA -0.424 54.454 54.840 0.063 0.000 0.826 168 L CB 1.953 44.126 42.059 0.191 0.000 1.268 168 L HN 0.511 nan 8.230 nan 0.000 0.407 169 V N 5.744 125.686 119.914 0.047 0.000 2.394 169 V HA 0.604 4.724 4.120 0.001 0.000 0.282 169 V C -0.274 175.845 176.094 0.041 0.000 1.031 169 V CA -0.520 61.771 62.300 -0.015 0.000 0.881 169 V CB 1.509 33.193 31.823 -0.231 0.000 0.982 169 V HN 0.580 nan 8.190 nan 0.000 0.451 170 V N 4.831 124.794 119.914 0.082 0.000 2.604 170 V HA 0.504 4.625 4.120 0.001 0.000 0.305 170 V C -0.143 176.032 176.094 0.135 0.000 1.043 170 V CA -0.686 61.721 62.300 0.177 0.000 0.888 170 V CB 1.921 33.875 31.823 0.218 0.000 0.995 170 V HN 0.945 nan 8.190 nan 0.000 0.429 171 N N 2.333 121.125 118.700 0.152 0.000 2.540 171 N HA 0.438 5.178 4.740 0.001 0.000 0.275 171 N C -1.480 173.952 175.510 -0.130 0.000 1.053 171 N CA 0.029 53.136 53.050 0.096 0.000 0.876 171 N CB 1.497 40.146 38.487 0.270 0.000 1.284 171 N HN 0.656 nan 8.380 nan 0.000 0.518 172 S N 3.897 119.502 115.700 -0.159 0.000 2.614 172 S HA 0.478 4.949 4.470 0.001 0.000 0.275 172 S C -2.897 171.704 174.600 0.001 0.000 1.161 172 S CA -0.965 57.057 58.200 -0.297 0.000 0.969 172 S CB 1.453 64.294 63.200 -0.599 0.000 1.059 172 S HN 0.349 nan 8.310 nan 0.000 0.482 173 P HA 0.099 nan 4.420 nan 0.000 0.266 173 P C -0.679 176.533 177.300 -0.147 0.000 1.195 173 P CA -0.114 62.913 63.100 -0.121 0.000 0.768 173 P CB 0.362 31.983 31.700 -0.132 0.000 0.838 174 N N 3.073 121.651 118.700 -0.204 0.000 2.524 174 N HA 0.087 4.828 4.740 0.001 0.000 0.283 174 N C -0.749 174.638 175.510 -0.205 0.000 1.142 174 N CA -0.094 52.866 53.050 -0.150 0.000 0.984 174 N CB 0.331 38.761 38.487 -0.094 0.000 1.155 174 N HN 0.269 nan 8.380 nan 0.000 0.467 175 N N 2.989 121.594 118.700 -0.159 0.000 2.399 175 N HA 0.367 5.107 4.740 0.001 0.000 0.280 175 N C -2.290 173.089 175.510 -0.219 0.000 1.008 175 N CA -1.991 50.882 53.050 -0.295 0.000 0.894 175 N CB 1.997 40.338 38.487 -0.244 0.000 1.273 175 N HN 0.374 nan 8.380 nan 0.000 0.486 176 P HA 0.109 nan 4.420 nan 0.000 0.267 176 P C 0.737 177.757 177.300 -0.468 0.000 1.289 176 P CA 0.272 62.942 63.100 -0.716 0.000 0.866 176 P CB 0.278 31.261 31.700 -1.195 0.000 1.309 177 T N -4.078 110.230 114.554 -0.409 0.000 2.942 177 T HA 0.142 4.492 4.350 0.001 0.000 0.265 177 T C 1.729 176.350 174.700 -0.132 0.000 1.062 177 T CA 1.433 63.300 62.100 -0.388 0.000 1.139 177 T CB -1.180 67.355 68.868 -0.556 0.000 0.883 177 T HN 0.181 nan 8.240 nan 0.000 0.468 178 G N 1.372 110.107 108.800 -0.108 0.000 2.176 178 G HA2 -0.033 3.927 3.960 0.001 0.000 0.253 178 G HA3 -0.033 3.927 3.960 0.001 0.000 0.253 178 G C 0.295 175.198 174.900 0.006 0.000 0.979 178 G CA 0.083 45.151 45.100 -0.053 0.000 0.641 178 G HN 1.228 nan 8.290 nan 0.000 0.530 179 A N -0.481 122.364 122.820 0.041 0.000 2.407 179 A HA 0.680 5.000 4.320 0.001 0.000 0.248 179 A C 0.320 177.930 177.584 0.043 0.000 1.082 179 A CA 0.459 52.578 52.037 0.136 0.000 0.785 179 A CB 1.104 20.290 19.000 0.310 0.000 1.020 179 A HN 1.180 nan 8.150 nan 0.000 0.489 180 V N 3.511 123.489 119.914 0.106 0.000 2.407 180 V HA 0.257 4.377 4.120 0.001 0.000 0.291 180 V C -1.144 175.084 176.094 0.224 0.000 1.018 180 V CA -0.633 61.697 62.300 0.050 0.000 0.842 180 V CB 0.803 32.662 31.823 0.060 0.000 0.996 180 V HN 0.693 nan 8.190 nan 0.000 0.426 181 Y N 6.298 126.645 120.300 0.078 0.000 2.377 181 Y HA 0.328 4.879 4.550 0.001 0.000 0.330 181 Y C -1.590 174.337 175.900 0.044 0.000 1.108 181 Y CA -3.344 54.795 58.100 0.065 0.000 1.308 181 Y CB -0.065 38.440 38.460 0.074 0.000 1.216 181 Y HN 0.431 nan 8.280 nan 0.000 0.518 182 P HA 0.044 nan 4.420 nan 0.000 0.271 182 P C 0.684 177.981 177.300 -0.005 0.000 1.218 182 P CA -0.369 62.770 63.100 0.064 0.000 0.780 182 P CB 1.272 32.989 31.700 0.029 0.000 0.901 183 K N 2.005 122.328 120.400 -0.128 0.000 2.107 183 K HA -0.264 4.056 4.320 0.001 0.000 0.211 183 K C 1.416 177.783 176.600 -0.388 0.000 1.049 183 K CA 2.097 58.110 56.287 -0.455 0.000 0.927 183 K CB -0.138 31.977 32.500 -0.642 0.000 0.714 183 K HN 0.275 nan 8.250 nan 0.000 0.452 184 E N 0.242 120.312 120.200 -0.216 0.000 2.085 184 E HA -0.159 4.192 4.350 0.001 0.000 0.194 184 E C 1.963 178.513 176.600 -0.084 0.000 0.994 184 E CA 1.469 57.783 56.400 -0.144 0.000 0.801 184 E CB -0.153 29.492 29.700 -0.091 0.000 0.743 184 E HN 0.157 nan 8.360 nan 0.000 0.453 185 V N 0.427 120.313 119.914 -0.046 0.000 2.307 185 V HA -0.203 3.918 4.120 0.001 0.000 0.245 185 V C 2.051 178.167 176.094 0.037 0.000 1.045 185 V CA 1.104 63.397 62.300 -0.013 0.000 1.024 185 V CB -0.406 31.401 31.823 -0.027 0.000 0.651 185 V HN 0.222 nan 8.190 nan 0.000 0.449 186 L N 0.143 121.417 121.223 0.086 0.000 2.079 186 L HA -0.166 4.174 4.340 0.001 0.000 0.210 186 L C 2.472 179.439 176.870 0.163 0.000 1.081 186 L CA 1.747 56.700 54.840 0.188 0.000 0.752 186 L CB -1.258 41.009 42.059 0.347 0.000 0.896 186 L HN 0.454 nan 8.230 nan 0.000 0.433 187 E N -0.948 119.288 120.200 0.060 0.000 2.106 187 E HA -0.153 4.197 4.350 0.001 0.000 0.192 187 E C 2.243 178.860 176.600 0.028 0.000 0.984 187 E CA 1.011 57.442 56.400 0.052 0.000 0.806 187 E CB -0.135 29.528 29.700 -0.062 0.000 0.750 187 E HN 0.486 nan 8.360 nan 0.000 0.458 188 A N 1.356 124.182 122.820 0.010 0.000 1.902 188 A HA -0.155 4.165 4.320 0.001 0.000 0.217 188 A C 2.198 179.802 177.584 0.033 0.000 1.181 188 A CA 1.057 53.100 52.037 0.011 0.000 0.623 188 A CB -0.611 18.391 19.000 0.003 0.000 0.818 188 A HN 0.123 nan 8.150 nan 0.000 0.443 189 L N -0.920 120.339 121.223 0.059 0.000 2.093 189 L HA -0.155 4.186 4.340 0.001 0.000 0.208 189 L C 3.058 179.968 176.870 0.067 0.000 1.085 189 L CA 0.949 55.843 54.840 0.091 0.000 0.755 189 L CB -0.533 41.601 42.059 0.126 0.000 0.904 189 L HN 0.438 nan 8.230 nan 0.000 0.435 190 A N 0.159 123.010 122.820 0.052 0.000 1.930 190 A HA -0.174 4.146 4.320 0.001 0.000 0.217 190 A C 2.385 179.909 177.584 -0.101 0.000 1.175 190 A CA 1.235 53.270 52.037 -0.002 0.000 0.627 190 A CB -0.391 18.636 19.000 0.045 0.000 0.815 190 A HN 0.316 nan 8.150 nan 0.000 0.443 191 R N -0.544 119.916 120.500 -0.067 0.000 2.075 191 R HA 0.000 4.340 4.340 0.001 0.000 0.232 191 R C 1.980 178.201 176.300 -0.133 0.000 1.126 191 R CA 1.299 57.336 56.100 -0.104 0.000 0.963 191 R CB -0.510 29.757 30.300 -0.055 0.000 0.858 191 R HN 0.487 nan 8.270 nan 0.000 0.435 192 L N 0.247 121.435 121.223 -0.059 0.000 2.083 192 L HA -0.175 4.166 4.340 0.001 0.000 0.209 192 L C 2.644 179.351 176.870 -0.270 0.000 1.083 192 L CA 1.191 56.047 54.840 0.025 0.000 0.752 192 L CB -0.549 41.610 42.059 0.167 0.000 0.899 192 L HN 0.265 nan 8.230 nan 0.000 0.433 193 A N -0.508 121.961 122.820 -0.584 0.000 1.930 193 A HA -0.115 4.205 4.320 0.001 0.000 0.217 193 A C 2.296 179.388 177.584 -0.820 0.000 1.175 193 A CA 1.552 52.859 52.037 -1.218 0.000 0.627 193 A CB -0.618 17.994 19.000 -0.647 0.000 0.815 193 A HN 0.194 nan 8.150 nan 0.000 0.443 194 V N -0.131 119.364 119.914 -0.697 0.000 2.323 194 V HA -0.234 3.886 4.120 0.001 0.000 0.244 194 V C 2.491 178.356 176.094 -0.382 0.000 1.041 194 V CA 2.145 63.991 62.300 -0.756 0.000 1.025 194 V CB -0.740 30.745 31.823 -0.563 0.000 0.656 194 V HN 0.758 nan 8.190 nan 0.000 0.451 195 E N -0.066 119.943 120.200 -0.319 0.000 2.070 195 E HA -0.272 4.078 4.350 0.001 0.000 0.197 195 E C 1.830 178.190 176.600 -0.400 0.000 1.004 195 E CA 1.997 58.206 56.400 -0.319 0.000 0.805 195 E CB -0.069 29.450 29.700 -0.301 0.000 0.744 195 E HN 0.812 nan 8.360 nan 0.000 0.451 196 H N -0.760 118.223 119.070 -0.146 0.000 2.586 196 H HA 0.138 4.694 4.556 -0.000 0.000 0.273 196 H C -0.486 174.855 175.328 0.022 0.000 0.997 196 H CA 0.505 56.551 56.048 -0.003 0.000 1.177 196 H CB 0.618 30.492 29.762 0.188 0.000 1.471 196 H HN 0.136 nan 8.280 nan 0.000 0.538 197 D N 0.258 120.641 120.400 -0.028 0.000 2.848 197 D HA -0.193 4.447 4.640 0.001 0.000 0.245 197 D C -0.997 175.359 176.300 0.094 0.000 1.122 197 D CA 0.724 54.751 54.000 0.044 0.000 0.769 197 D CB -1.300 39.528 40.800 0.046 0.000 1.025 197 D HN 0.399 nan 8.370 nan 0.000 0.423 198 F N -1.185 118.812 119.950 0.078 0.000 2.692 198 F HA 0.725 5.252 4.527 -0.000 0.000 0.320 198 F C -0.927 174.868 175.800 -0.008 0.000 1.123 198 F CA -1.583 56.402 58.000 -0.024 0.000 0.961 198 F CB 0.644 39.677 39.000 0.054 0.000 1.383 198 F HN -0.167 nan 8.300 nan 0.000 0.483 199 Y N 1.888 122.463 120.300 0.459 0.000 2.299 199 Y HA 0.479 5.029 4.550 0.001 0.000 0.326 199 Y C 0.021 176.141 175.900 0.367 0.000 1.164 199 Y CA -0.868 57.405 58.100 0.289 0.000 1.234 199 Y CB 1.149 39.701 38.460 0.154 0.000 1.219 199 Y HN 0.542 nan 8.280 nan 0.000 0.497 200 L N 4.991 126.455 121.223 0.401 0.000 2.294 200 L HA 0.463 4.804 4.340 0.001 0.000 0.283 200 L C -1.297 175.683 176.870 0.183 0.000 1.015 200 L CA -0.736 54.278 54.840 0.291 0.000 0.831 200 L CB 0.727 42.906 42.059 0.200 0.000 1.217 200 L HN 0.406 nan 8.230 nan 0.000 0.420 201 V N 4.400 124.399 119.914 0.142 0.000 2.368 201 V HA 0.234 4.354 4.120 0.001 0.000 0.266 201 V C 0.604 176.722 176.094 0.039 0.000 1.045 201 V CA -0.222 62.103 62.300 0.041 0.000 0.899 201 V CB 1.216 33.033 31.823 -0.010 0.000 1.006 201 V HN 0.856 nan 8.190 nan 0.000 0.470 202 S N 3.555 119.271 115.700 0.026 0.000 2.461 202 S HA 0.247 4.718 4.470 0.001 0.000 0.322 202 S C -0.434 174.188 174.600 0.036 0.000 1.063 202 S CA -0.668 57.557 58.200 0.041 0.000 1.120 202 S CB 0.448 63.668 63.200 0.034 0.000 0.968 202 S HN 0.797 nan 8.310 nan 0.000 0.467 203 D N 3.953 124.387 120.400 0.057 0.000 2.393 203 D HA 0.181 4.821 4.640 0.001 0.000 0.232 203 D C 0.267 176.590 176.300 0.039 0.000 1.192 203 D CA -0.105 53.930 54.000 0.057 0.000 0.882 203 D CB 0.720 41.607 40.800 0.145 0.000 1.038 203 D HN 0.654 nan 8.370 nan 0.000 0.499 204 E N 2.845 123.055 120.200 0.018 0.000 2.496 204 E HA 0.052 4.402 4.350 0.001 0.000 0.200 204 E C 1.444 177.939 176.600 -0.175 0.000 1.016 204 E CA -0.101 56.303 56.400 0.007 0.000 0.962 204 E CB 0.232 30.020 29.700 0.147 0.000 1.071 204 E HN 0.507 nan 8.360 nan 0.000 0.457 205 I N -1.460 118.954 120.570 -0.260 0.000 2.530 205 I HA -0.260 3.910 4.170 0.001 0.000 0.257 205 I C 1.293 177.062 176.117 -0.580 0.000 1.179 205 I CA 1.453 62.482 61.300 -0.452 0.000 1.440 205 I CB -0.844 36.794 38.000 -0.603 0.000 1.087 205 I HN 0.105 nan 8.210 nan 0.000 0.440 206 Y N 1.730 121.851 120.300 -0.299 0.000 2.493 206 Y HA 0.136 4.686 4.550 0.000 0.000 0.275 206 Y C 2.169 177.837 175.900 -0.388 0.000 1.183 206 Y CA -0.016 57.886 58.100 -0.330 0.000 1.258 206 Y CB -0.807 37.453 38.460 -0.332 0.000 1.108 206 Y HN 0.406 nan 8.280 nan 0.000 0.521 207 E N -0.436 119.485 120.200 -0.465 0.000 2.147 207 E HA -0.308 4.042 4.350 0.001 0.000 0.199 207 E C 0.762 177.063 176.600 -0.497 0.000 1.005 207 E CA 2.294 58.221 56.400 -0.789 0.000 0.810 207 E CB -0.567 28.398 29.700 -1.226 0.000 0.736 207 E HN 0.633 nan 8.360 nan 0.000 0.460 208 H N 0.004 118.930 119.070 -0.241 0.000 2.548 208 H HA 0.210 4.767 4.556 0.001 0.000 0.268 208 H C 0.362 175.612 175.328 -0.129 0.000 0.975 208 H CA 0.045 55.996 56.048 -0.161 0.000 1.195 208 H CB 0.310 29.976 29.762 -0.161 0.000 1.397 208 H HN 0.098 nan 8.280 nan 0.000 0.572 209 L N 1.987 123.177 121.223 -0.055 0.000 2.598 209 L HA 0.227 4.568 4.340 0.001 0.000 0.241 209 L C -0.961 175.630 176.870 -0.465 0.000 1.244 209 L CA -0.373 54.389 54.840 -0.131 0.000 1.198 209 L CB 0.109 42.146 42.059 -0.037 0.000 1.448 209 L HN 0.137 nan 8.230 nan 0.000 0.406 210 L N 0.298 121.243 121.223 -0.463 0.000 2.349 210 L HA 0.359 4.700 4.340 0.001 0.000 0.278 210 L C 0.045 176.620 176.870 -0.493 0.000 0.996 210 L CA -0.154 54.407 54.840 -0.466 0.000 0.825 210 L CB 1.547 43.509 42.059 -0.161 0.000 1.243 210 L HN 0.111 nan 8.230 nan 0.000 0.412 211 Y N 1.915 122.263 120.300 0.080 0.000 2.436 211 Y HA 0.310 4.860 4.550 0.000 0.000 0.288 211 Y C 0.498 176.436 175.900 0.063 0.000 1.112 211 Y CA -0.189 57.958 58.100 0.077 0.000 1.220 211 Y CB 0.224 38.734 38.460 0.083 0.000 1.073 211 Y HN 0.542 nan 8.280 nan 0.000 0.552 212 E N -0.710 119.573 120.200 0.137 0.000 2.363 212 E HA 0.507 4.858 4.350 0.001 0.000 0.281 212 E C -0.029 176.617 176.600 0.078 0.000 0.953 212 E CA -0.254 56.209 56.400 0.105 0.000 0.778 212 E CB 1.898 31.666 29.700 0.114 0.000 1.220 212 E HN 0.225 nan 8.360 nan 0.000 0.431 213 G N 1.846 110.688 108.800 0.070 0.000 2.526 213 G HA2 -0.094 3.867 3.960 0.001 0.000 0.250 213 G HA3 -0.094 3.867 3.960 0.001 0.000 0.250 213 G C -1.177 173.766 174.900 0.071 0.000 1.289 213 G CA -0.355 44.785 45.100 0.067 0.000 0.947 213 G HN 0.632 nan 8.290 nan 0.000 0.517 214 E N -0.684 119.566 120.200 0.083 0.000 2.343 214 E HA 0.447 4.798 4.350 0.001 0.000 0.270 214 E C -1.193 175.492 176.600 0.141 0.000 0.895 214 E CA -0.873 55.591 56.400 0.108 0.000 0.767 214 E CB 2.251 32.013 29.700 0.104 0.000 1.248 214 E HN 0.622 nan 8.360 nan 0.000 0.440 215 H N 1.841 120.950 119.070 0.064 0.000 2.705 215 H HA 0.261 4.817 4.556 0.001 0.000 0.291 215 H C -1.522 173.879 175.328 0.122 0.000 1.085 215 H CA -0.297 55.785 56.048 0.058 0.000 1.357 215 H CB 0.020 29.772 29.762 -0.018 0.000 1.419 215 H HN 0.304 nan 8.280 nan 0.000 0.462 216 F N 3.754 123.457 119.950 -0.412 0.000 2.443 216 F HA 0.449 4.976 4.527 0.000 0.000 0.335 216 F C -0.557 175.016 175.800 -0.378 0.000 1.104 216 F CA -0.547 57.290 58.000 -0.272 0.000 1.013 216 F CB 1.372 40.299 39.000 -0.122 0.000 1.136 216 F HN 0.428 nan 8.300 nan 0.000 0.470 217 S N 8.043 123.139 115.700 -1.007 0.000 2.448 217 S HA 0.256 4.727 4.470 0.001 0.000 0.320 217 S C -1.926 172.183 174.600 -0.819 0.000 1.071 217 S CA -1.002 56.795 58.200 -0.671 0.000 1.113 217 S CB 1.484 64.478 63.200 -0.343 0.000 0.972 217 S HN 0.512 nan 8.310 nan 0.000 0.465 218 P HA -0.119 nan 4.420 nan 0.000 0.218 218 P C 1.607 178.845 177.300 -0.104 0.000 1.146 218 P CA 0.853 63.900 63.100 -0.088 0.000 0.820 218 P CB 0.012 31.739 31.700 0.046 0.000 0.778 219 G N -0.272 108.441 108.800 -0.144 0.000 2.501 219 G HA2 -0.254 3.706 3.960 0.001 0.000 0.220 219 G HA3 -0.254 3.706 3.960 0.001 0.000 0.220 219 G C 1.505 176.349 174.900 -0.094 0.000 1.114 219 G CA 0.342 45.383 45.100 -0.098 0.000 0.757 219 G HN 0.292 nan 8.290 nan 0.000 0.559 220 R N -0.448 119.957 120.500 -0.158 0.000 2.092 220 R HA 0.017 4.357 4.340 0.001 0.000 0.231 220 R C 2.472 178.770 176.300 -0.004 0.000 1.119 220 R CA 1.055 57.100 56.100 -0.091 0.000 0.970 220 R CB -0.293 29.924 30.300 -0.138 0.000 0.864 220 R HN 0.336 nan 8.270 nan 0.000 0.440 221 V N 0.324 120.255 119.914 0.029 0.000 2.331 221 V HA 0.031 4.151 4.120 0.001 0.000 0.242 221 V C 1.068 177.170 176.094 0.013 0.000 1.034 221 V CA 1.473 63.807 62.300 0.056 0.000 1.027 221 V CB 0.001 31.889 31.823 0.109 0.000 0.667 221 V HN 0.308 nan 8.190 nan 0.000 0.457 222 A N 0.656 123.480 122.820 0.006 0.000 3.105 222 A HA 0.508 4.829 4.320 0.001 0.000 0.336 222 A C -1.310 176.312 177.584 0.064 0.000 1.042 222 A CA -0.989 51.056 52.037 0.013 0.000 0.851 222 A CB 0.267 19.231 19.000 -0.060 0.000 1.068 222 A HN 0.318 nan 8.150 nan 0.000 0.477 223 P HA -0.198 nan 4.420 nan 0.000 0.218 223 P C 0.652 177.980 177.300 0.047 0.000 1.148 223 P CA 1.328 64.443 63.100 0.025 0.000 0.822 223 P CB 0.339 32.042 31.700 0.005 0.000 0.784 224 E N -1.856 118.397 120.200 0.087 0.000 2.489 224 E HA -0.047 4.303 4.350 0.001 0.000 0.193 224 E C 0.889 177.455 176.600 -0.057 0.000 1.057 224 E CA 0.216 56.633 56.400 0.028 0.000 0.866 224 E CB -0.203 29.494 29.700 -0.005 0.000 0.916 224 E HN 0.507 nan 8.360 nan 0.000 0.500 225 H N -1.416 117.665 119.070 0.018 0.000 3.255 225 H HA 0.153 4.709 4.556 0.000 0.000 0.256 225 H C -0.099 175.313 175.328 0.140 0.000 1.049 225 H CA 0.296 56.365 56.048 0.035 0.000 1.202 225 H CB 1.061 30.780 29.762 -0.071 0.000 1.497 225 H HN -0.127 nan 8.280 nan 0.000 0.503 226 T N 1.650 116.312 114.554 0.181 0.000 2.799 226 T HA 0.470 4.821 4.350 0.001 0.000 0.286 226 T C -0.240 174.477 174.700 0.029 0.000 0.973 226 T CA -0.524 61.639 62.100 0.105 0.000 1.035 226 T CB 1.419 70.312 68.868 0.042 0.000 0.932 226 T HN 0.055 nan 8.240 nan 0.000 0.469 227 L N 3.349 124.572 121.223 0.000 0.000 2.318 227 L HA 0.351 4.692 4.340 0.001 0.000 0.277 227 L C 0.235 177.050 176.870 -0.092 0.000 1.008 227 L CA -0.579 54.210 54.840 -0.085 0.000 0.846 227 L CB 1.270 43.247 42.059 -0.136 0.000 1.220 227 L HN 0.643 nan 8.230 nan 0.000 0.423 228 T N 2.844 117.311 114.554 -0.145 0.000 2.743 228 T HA 0.392 4.742 4.350 0.001 0.000 0.293 228 T C 0.044 174.691 174.700 -0.087 0.000 0.945 228 T CA -0.313 61.709 62.100 -0.129 0.000 1.030 228 T CB 1.268 70.000 68.868 -0.226 0.000 0.912 228 T HN 0.110 nan 8.240 nan 0.000 0.483 229 V N 5.290 125.194 119.914 -0.017 0.000 2.435 229 V HA 0.587 4.707 4.120 0.001 0.000 0.290 229 V C 0.243 176.355 176.094 0.031 0.000 1.030 229 V CA -0.713 61.591 62.300 0.007 0.000 0.881 229 V CB 1.636 33.450 31.823 -0.014 0.000 0.983 229 V HN 0.801 nan 8.190 nan 0.000 0.445 230 N N 1.543 120.259 118.700 0.026 0.000 3.344 230 N HA 0.793 5.534 4.740 0.001 0.000 0.296 230 N C -0.597 174.646 175.510 -0.444 0.000 1.571 230 N CA 0.314 53.316 53.050 -0.078 0.000 0.844 230 N CB 2.520 41.129 38.487 0.203 0.000 1.718 230 N HN 0.919 nan 8.380 nan 0.000 0.589 231 G N -1.579 106.824 108.800 -0.663 0.000 2.368 231 G HA2 0.499 4.460 3.960 0.001 0.000 0.293 231 G HA3 0.499 4.460 3.960 0.001 0.000 0.293 231 G C -0.557 174.068 174.900 -0.458 0.000 1.467 231 G CA 0.212 44.742 45.100 -0.950 0.000 0.804 231 G HN 0.581 nan 8.290 nan 0.000 0.535 232 A N -0.369 122.321 122.820 -0.216 0.000 2.178 232 A HA 0.560 4.880 4.320 0.001 0.000 0.211 232 A C 2.539 180.125 177.584 0.003 0.000 1.157 232 A CA 1.828 53.931 52.037 0.110 0.000 0.780 232 A CB -0.617 18.555 19.000 0.286 0.000 0.828 232 A HN 2.061 nan 8.150 nan 0.000 0.476 233 A N 1.202 123.980 122.820 -0.069 0.000 1.859 233 A HA -0.255 4.065 4.320 0.001 0.000 0.218 233 A C 2.066 179.652 177.584 0.003 0.000 1.242 233 A CA 2.134 54.157 52.037 -0.023 0.000 0.661 233 A CB -0.436 18.526 19.000 -0.063 0.000 0.842 233 A HN 0.376 nan 8.150 nan 0.000 0.455 234 K N -0.584 119.757 120.400 -0.098 0.000 2.137 234 K HA 0.181 4.501 4.320 0.001 0.000 0.202 234 K C 2.251 178.882 176.600 0.052 0.000 1.052 234 K CA 1.157 57.451 56.287 0.011 0.000 0.961 234 K CB -0.870 31.511 32.500 -0.198 0.000 0.741 234 K HN 0.470 nan 8.250 nan 0.000 0.452 235 A N 0.881 123.598 122.820 -0.171 0.000 1.898 235 A HA -0.074 4.246 4.320 0.001 0.000 0.216 235 A C 1.212 178.625 177.584 -0.285 0.000 1.181 235 A CA 1.223 53.063 52.037 -0.329 0.000 0.620 235 A CB -0.410 18.180 19.000 -0.683 0.000 0.819 235 A HN 0.228 nan 8.150 nan 0.000 0.442 236 F N -1.439 118.608 119.950 0.162 0.000 2.668 236 F HA 0.580 5.107 4.527 0.001 0.000 0.301 236 F C 1.196 176.950 175.800 -0.077 0.000 1.106 236 F CA -0.629 57.380 58.000 0.014 0.000 1.289 236 F CB -0.435 38.461 39.000 -0.173 0.000 1.006 236 F HN 0.307 nan 8.300 nan 0.000 0.535 237 A N 0.772 123.750 122.820 0.265 0.000 2.610 237 A HA -0.262 4.058 4.320 0.001 0.000 0.299 237 A C 0.597 178.283 177.584 0.172 0.000 1.487 237 A CA 1.069 53.262 52.037 0.261 0.000 0.743 237 A CB -2.182 17.033 19.000 0.359 0.000 1.070 237 A HN 0.472 nan 8.150 nan 0.000 0.439 238 M N 0.170 119.858 119.600 0.146 0.000 2.876 238 M HA 0.064 4.544 4.480 0.001 0.000 0.367 238 M C 1.692 178.162 176.300 0.284 0.000 1.242 238 M CA 0.593 55.998 55.300 0.175 0.000 0.889 238 M CB 0.181 32.694 32.600 -0.145 0.000 1.353 238 M HN 0.755 nan 8.290 nan 0.000 0.511 239 T N -2.672 112.023 114.554 0.236 0.000 2.759 239 T HA -0.107 4.243 4.350 0.001 0.000 0.269 239 T C 1.800 176.612 174.700 0.186 0.000 1.042 239 T CA 1.783 63.991 62.100 0.180 0.000 1.140 239 T CB -0.478 68.485 68.868 0.159 0.000 0.864 239 T HN 0.576 nan 8.240 nan 0.000 0.455 240 G N -0.758 108.171 108.800 0.215 0.000 2.712 240 G HA2 0.098 4.058 3.960 0.001 0.000 0.212 240 G HA3 0.098 4.058 3.960 0.001 0.000 0.212 240 G C 0.924 175.870 174.900 0.076 0.000 1.142 240 G CA -0.227 44.935 45.100 0.103 0.000 0.789 240 G HN 0.585 nan 8.290 nan 0.000 0.535 241 W N 0.146 121.461 121.300 0.026 0.000 2.584 241 W HA 0.261 4.922 4.660 0.000 0.000 0.264 241 W C 0.852 177.385 176.519 0.023 0.000 1.264 241 W CA -0.144 57.215 57.345 0.024 0.000 1.306 241 W CB 0.321 29.797 29.460 0.025 0.000 1.110 241 W HN -0.027 nan 8.180 nan 0.000 0.606 242 R N 0.205 120.843 120.500 0.230 0.000 3.209 242 R HA -0.174 4.166 4.340 0.001 0.000 0.252 242 R C -0.957 175.417 176.300 0.123 0.000 0.958 242 R CA 0.678 56.857 56.100 0.132 0.000 0.651 242 R CB -2.842 27.509 30.300 0.086 0.000 1.142 242 R HN 0.107 nan 8.270 nan 0.000 0.441 243 I N 0.117 120.756 120.570 0.116 0.000 2.439 243 I HA 0.492 4.662 4.170 0.001 0.000 0.285 243 I C 1.047 177.147 176.117 -0.029 0.000 1.021 243 I CA -0.275 61.079 61.300 0.091 0.000 1.091 243 I CB 1.869 39.955 38.000 0.144 0.000 1.242 243 I HN 0.317 nan 8.210 nan 0.000 0.439 244 G N 5.872 114.632 108.800 -0.066 0.000 2.714 244 G HA2 0.831 4.791 3.960 0.001 0.000 0.292 244 G HA3 0.831 4.791 3.960 0.001 0.000 0.292 244 G C -1.879 172.919 174.900 -0.170 0.000 1.308 244 G CA -0.414 44.506 45.100 -0.300 0.000 0.964 244 G HN 0.476 nan 8.290 nan 0.000 0.484 245 Y N -2.903 117.441 120.300 0.074 0.000 2.624 245 Y HA 0.824 5.374 4.550 0.000 0.000 0.334 245 Y C -0.183 175.829 175.900 0.186 0.000 1.155 245 Y CA -1.435 56.739 58.100 0.124 0.000 1.046 245 Y CB 1.190 39.733 38.460 0.138 0.000 1.316 245 Y HN 1.063 nan 8.280 nan 0.000 0.457 246 A N 0.390 123.420 122.820 0.349 0.000 2.609 246 A HA 0.914 5.234 4.320 0.001 0.000 0.291 246 A C -1.111 176.444 177.584 -0.048 0.000 1.096 246 A CA -0.338 51.775 52.037 0.128 0.000 0.684 246 A CB 1.040 20.047 19.000 0.011 0.000 1.282 246 A HN 1.817 nan 8.150 nan 0.000 0.412 247 C N -0.972 118.125 119.300 -0.338 0.000 3.173 247 C HA 1.085 5.546 4.460 0.001 0.000 0.310 247 C C 0.320 175.146 174.990 -0.274 0.000 1.306 247 C CA 0.206 59.001 59.018 -0.372 0.000 1.426 247 C CB 1.097 28.403 27.740 -0.723 0.000 1.800 247 C HN 2.717 nan 8.230 nan 0.000 0.470 248 G N 0.759 109.452 108.800 -0.179 0.000 2.344 248 G HA2 0.551 4.511 3.960 0.001 0.000 0.282 248 G HA3 0.551 4.511 3.960 0.001 0.000 0.282 248 G C -3.568 171.290 174.900 -0.070 0.000 1.281 248 G CA -0.721 44.308 45.100 -0.118 0.000 0.877 248 G HN 0.593 nan 8.290 nan 0.000 0.494 249 P HA 0.129 nan 4.420 nan 0.000 0.261 249 P C 0.784 178.068 177.300 -0.025 0.000 1.183 249 P CA 0.286 63.378 63.100 -0.013 0.000 0.761 249 P CB 0.958 32.678 31.700 0.034 0.000 0.785 250 K N 4.498 124.885 120.400 -0.020 0.000 2.089 250 K HA -0.271 4.049 4.320 0.001 0.000 0.210 250 K C 1.666 178.256 176.600 -0.018 0.000 1.048 250 K CA 2.220 58.495 56.287 -0.019 0.000 0.926 250 K CB -0.016 32.476 32.500 -0.013 0.000 0.714 250 K HN 0.572 nan 8.250 nan 0.000 0.448 251 E N -0.245 119.948 120.200 -0.011 0.000 2.153 251 E HA -0.149 4.201 4.350 0.001 0.000 0.194 251 E C 1.758 178.344 176.600 -0.023 0.000 0.988 251 E CA 1.430 57.825 56.400 -0.008 0.000 0.811 251 E CB -0.184 29.519 29.700 0.006 0.000 0.746 251 E HN 0.129 nan 8.360 nan 0.000 0.466 252 V N 1.379 121.268 119.914 -0.041 0.000 2.407 252 V HA -0.184 3.936 4.120 0.001 0.000 0.245 252 V C 2.418 178.461 176.094 -0.086 0.000 1.041 252 V CA 1.017 63.261 62.300 -0.095 0.000 1.040 252 V CB -0.363 31.353 31.823 -0.179 0.000 0.671 252 V HN 0.317 nan 8.190 nan 0.000 0.455 253 I N 0.709 121.239 120.570 -0.067 0.000 2.226 253 I HA -0.243 3.928 4.170 0.001 0.000 0.245 253 I C 2.488 178.585 176.117 -0.032 0.000 1.100 253 I CA 1.871 63.141 61.300 -0.051 0.000 1.374 253 I CB -1.108 36.867 38.000 -0.041 0.000 1.057 253 I HN 0.433 nan 8.210 nan 0.000 0.413 254 K N 1.519 121.903 120.400 -0.026 0.000 2.057 254 K HA -0.163 4.157 4.320 0.001 0.000 0.207 254 K C 2.182 178.772 176.600 -0.017 0.000 1.049 254 K CA 1.690 57.968 56.287 -0.016 0.000 0.931 254 K CB -0.030 32.462 32.500 -0.013 0.000 0.714 254 K HN 0.199 nan 8.250 nan 0.000 0.440 255 A N 1.405 124.210 122.820 -0.026 0.000 1.933 255 A HA -0.143 4.178 4.320 0.001 0.000 0.218 255 A C 2.177 179.746 177.584 -0.025 0.000 1.175 255 A CA 1.712 53.733 52.037 -0.026 0.000 0.628 255 A CB -0.469 18.508 19.000 -0.038 0.000 0.814 255 A HN 0.397 nan 8.150 nan 0.000 0.444 256 M N -0.614 118.965 119.600 -0.035 0.000 2.159 256 M HA -0.143 4.338 4.480 0.001 0.000 0.263 256 M C 2.472 178.774 176.300 0.004 0.000 1.063 256 M CA 1.396 56.681 55.300 -0.024 0.000 1.110 256 M CB -0.345 32.231 32.600 -0.040 0.000 1.374 256 M HN 0.481 nan 8.290 nan 0.000 0.411 257 A N -0.654 122.167 122.820 0.001 0.000 1.969 257 A HA -0.111 4.209 4.320 0.001 0.000 0.218 257 A C 2.247 179.838 177.584 0.012 0.000 1.169 257 A CA 1.882 53.925 52.037 0.010 0.000 0.635 257 A CB -0.628 18.375 19.000 0.005 0.000 0.810 257 A HN 0.427 nan 8.150 nan 0.000 0.445 258 S N -0.409 115.295 115.700 0.007 0.000 2.383 258 S HA -0.110 4.360 4.470 0.001 0.000 0.227 258 S C 1.855 176.467 174.600 0.021 0.000 1.026 258 S CA 1.398 59.603 58.200 0.008 0.000 0.981 258 S CB -0.340 62.862 63.200 0.003 0.000 0.818 258 S HN 0.369 nan 8.310 nan 0.000 0.472 259 V N 1.499 121.430 119.914 0.029 0.000 2.427 259 V HA -0.118 4.002 4.120 0.001 0.000 0.248 259 V C 2.355 178.493 176.094 0.073 0.000 1.051 259 V CA 1.656 63.991 62.300 0.057 0.000 1.048 259 V CB -0.851 31.012 31.823 0.066 0.000 0.666 259 V HN 0.403 nan 8.190 nan 0.000 0.456 260 S N -0.506 115.229 115.700 0.060 0.000 2.368 260 S HA -0.204 4.266 4.470 0.001 0.000 0.225 260 S C 2.128 176.751 174.600 0.037 0.000 1.030 260 S CA 1.540 59.775 58.200 0.057 0.000 0.999 260 S CB -0.374 62.855 63.200 0.048 0.000 0.844 260 S HN 0.522 nan 8.310 nan 0.000 0.459 261 R N 0.893 121.406 120.500 0.021 0.000 2.105 261 R HA -0.081 4.260 4.340 0.001 0.000 0.239 261 R C 1.343 177.643 176.300 0.002 0.000 1.135 261 R CA 1.196 57.296 56.100 -0.000 0.000 0.967 261 R CB -0.064 30.231 30.300 -0.008 0.000 0.861 261 R HN 0.278 nan 8.270 nan 0.000 0.442 262 Q N -0.688 119.125 119.800 0.021 0.000 2.320 262 Q HA 0.048 4.388 4.340 0.001 0.000 0.201 262 Q C 1.095 177.122 176.000 0.044 0.000 0.910 262 Q CA 0.670 56.489 55.803 0.028 0.000 0.946 262 Q CB 1.350 30.108 28.738 0.034 0.000 1.062 262 Q HN 0.442 nan 8.270 nan 0.000 0.503 263 S N -1.275 114.455 115.700 0.050 0.000 3.597 263 S HA 0.001 4.472 4.470 0.001 0.000 0.206 263 S C 1.763 176.387 174.600 0.040 0.000 0.948 263 S CA 0.574 58.808 58.200 0.057 0.000 0.863 263 S CB -0.337 62.917 63.200 0.090 0.000 1.015 263 S HN 0.203 nan 8.310 nan 0.000 0.616 264 T N -1.459 113.120 114.554 0.041 0.000 3.044 264 T HA 0.316 4.667 4.350 0.001 0.000 0.250 264 T C 1.103 175.833 174.700 0.050 0.000 1.081 264 T CA 1.087 63.211 62.100 0.041 0.000 1.040 264 T CB -0.306 68.586 68.868 0.039 0.000 0.962 264 T HN 0.508 nan 8.240 nan 0.000 0.506 265 T N 0.214 114.787 114.554 0.032 0.000 13.029 265 T HA -0.222 4.128 4.350 0.001 0.000 0.417 265 T C 0.250 174.968 174.700 0.029 0.000 1.457 265 T CA 1.506 63.609 62.100 0.005 0.000 2.388 265 T CB -1.812 67.048 68.868 -0.013 0.000 2.799 265 T HN 0.935 nan 8.240 nan 0.000 0.661 266 S N 0.785 116.526 115.700 0.068 0.000 2.622 266 S HA 0.542 5.012 4.470 0.001 0.000 0.275 266 S C -3.169 171.483 174.600 0.087 0.000 1.112 266 S CA -0.958 57.287 58.200 0.074 0.000 0.837 266 S CB 1.635 64.887 63.200 0.088 0.000 1.082 266 S HN 0.166 nan 8.310 nan 0.000 0.456 267 P HA 0.225 nan 4.420 nan 0.000 0.274 267 P C -1.098 176.257 177.300 0.091 0.000 1.246 267 P CA -0.324 62.823 63.100 0.080 0.000 0.795 267 P CB 0.318 32.064 31.700 0.077 0.000 1.006 268 D N 0.296 120.752 120.400 0.093 0.000 2.581 268 D HA -0.068 4.572 4.640 0.001 0.000 0.238 268 D C 0.724 177.099 176.300 0.124 0.000 1.145 268 D CA 0.860 54.919 54.000 0.099 0.000 0.866 268 D CB 0.468 41.324 40.800 0.093 0.000 1.151 268 D HN 0.232 nan 8.370 nan 0.000 0.500 269 T N 4.360 118.996 114.554 0.135 0.000 2.788 269 T HA -0.145 4.205 4.350 0.001 0.000 0.268 269 T C 1.988 176.871 174.700 0.306 0.000 1.044 269 T CA 0.808 63.025 62.100 0.195 0.000 1.139 269 T CB 0.008 69.008 68.868 0.219 0.000 0.867 269 T HN 0.431 nan 8.240 nan 0.000 0.454 270 I N 1.661 122.383 120.570 0.252 0.000 2.226 270 I HA -0.101 4.069 4.170 0.001 0.000 0.245 270 I C 2.723 179.047 176.117 0.345 0.000 1.100 270 I CA 1.094 62.564 61.300 0.285 0.000 1.374 270 I CB -0.594 37.508 38.000 0.171 0.000 1.057 270 I HN 0.166 nan 8.210 nan 0.000 0.413 271 A N -0.428 122.586 122.820 0.323 0.000 1.969 271 A HA -0.220 4.101 4.320 0.001 0.000 0.218 271 A C 2.269 179.982 177.584 0.215 0.000 1.169 271 A CA 1.362 53.652 52.037 0.422 0.000 0.635 271 A CB -0.537 18.710 19.000 0.412 0.000 0.810 271 A HN 0.501 nan 8.150 nan 0.000 0.445 272 Q N -1.648 118.227 119.800 0.125 0.000 2.079 272 Q HA -0.211 4.129 4.340 0.001 0.000 0.200 272 Q C 1.902 177.825 176.000 -0.129 0.000 0.974 272 Q CA 1.604 57.381 55.803 -0.043 0.000 0.840 272 Q CB -0.221 28.428 28.738 -0.148 0.000 0.898 272 Q HN 0.909 nan 8.270 nan 0.000 0.430 273 W N 0.300 121.621 121.300 0.033 0.000 2.436 273 W HA -0.055 4.606 4.660 0.001 0.000 0.284 273 W C 2.412 178.906 176.519 -0.040 0.000 1.225 273 W CA 0.847 58.192 57.345 0.001 0.000 1.271 273 W CB -0.090 29.379 29.460 0.015 0.000 1.114 273 W HN 0.147 nan 8.180 nan 0.000 0.559 274 A N -0.353 122.564 122.820 0.162 0.000 1.898 274 A HA -0.149 4.172 4.320 0.001 0.000 0.216 274 A C 1.870 179.326 177.584 -0.214 0.000 1.181 274 A CA 2.105 54.110 52.037 -0.053 0.000 0.620 274 A CB -1.175 17.740 19.000 -0.142 0.000 0.819 274 A HN 0.186 nan 8.150 nan 0.000 0.442 275 T N 0.356 114.808 114.554 -0.170 0.000 2.833 275 T HA -0.072 4.278 4.350 0.001 0.000 0.269 275 T C 1.798 176.387 174.700 -0.186 0.000 1.054 275 T CA 1.081 63.070 62.100 -0.185 0.000 1.135 275 T CB -0.322 68.515 68.868 -0.051 0.000 0.869 275 T HN 0.346 nan 8.240 nan 0.000 0.466 276 L N 0.944 122.081 121.223 -0.144 0.000 2.042 276 L HA -0.176 4.164 4.340 0.001 0.000 0.210 276 L C 2.708 179.510 176.870 -0.114 0.000 1.076 276 L CA 1.890 56.649 54.840 -0.135 0.000 0.749 276 L CB -0.340 41.664 42.059 -0.092 0.000 0.893 276 L HN 0.266 nan 8.230 nan 0.000 0.432 277 E N 0.130 120.272 120.200 -0.098 0.000 2.110 277 E HA -0.194 4.157 4.350 0.001 0.000 0.193 277 E C 1.971 178.475 176.600 -0.160 0.000 0.988 277 E CA 1.528 57.872 56.400 -0.092 0.000 0.804 277 E CB -0.118 29.529 29.700 -0.088 0.000 0.745 277 E HN 0.474 nan 8.360 nan 0.000 0.458 278 A N 0.230 122.849 122.820 -0.335 0.000 1.972 278 A HA -0.096 4.224 4.320 0.001 0.000 0.219 278 A C 2.204 179.521 177.584 -0.445 0.000 1.169 278 A CA 1.352 53.055 52.037 -0.556 0.000 0.635 278 A CB -0.499 17.948 19.000 -0.922 0.000 0.810 278 A HN 0.350 nan 8.150 nan 0.000 0.446 279 L N -0.703 120.351 121.223 -0.282 0.000 2.249 279 L HA -0.055 4.285 4.340 0.001 0.000 0.207 279 L C 2.829 179.620 176.870 -0.131 0.000 1.090 279 L CA 1.537 56.264 54.840 -0.188 0.000 0.802 279 L CB -0.543 41.394 42.059 -0.203 0.000 0.947 279 L HN 0.603 nan 8.230 nan 0.000 0.453 280 T N -4.368 110.118 114.554 -0.113 0.000 3.009 280 T HA -0.120 4.230 4.350 0.001 0.000 0.258 280 T C 1.085 175.746 174.700 -0.066 0.000 1.063 280 T CA 0.290 62.345 62.100 -0.075 0.000 1.139 280 T CB -0.460 68.377 68.868 -0.051 0.000 0.890 280 T HN 0.208 nan 8.240 nan 0.000 0.471 281 N N 1.353 120.011 118.700 -0.069 0.000 3.298 281 N HA 0.136 4.877 4.740 0.001 0.000 0.292 281 N C 1.236 176.670 175.510 -0.126 0.000 1.271 281 N CA -0.310 52.690 53.050 -0.084 0.000 1.184 281 N CB 0.116 38.571 38.487 -0.054 0.000 1.452 281 N HN 0.416 nan 8.380 nan 0.000 0.534 282 Q N 0.240 119.983 119.800 -0.094 0.000 2.152 282 Q HA -0.267 4.074 4.340 0.001 0.000 0.206 282 Q C 1.557 177.501 176.000 -0.094 0.000 0.985 282 Q CA 1.397 57.152 55.803 -0.079 0.000 0.863 282 Q CB 0.078 28.786 28.738 -0.050 0.000 0.904 282 Q HN 0.650 nan 8.270 nan 0.000 0.422 283 E N 0.385 120.520 120.200 -0.108 0.000 2.017 283 E HA -0.213 4.137 4.350 0.001 0.000 0.193 283 E C 1.951 178.452 176.600 -0.164 0.000 0.997 283 E CA 1.079 57.412 56.400 -0.111 0.000 0.804 283 E CB -0.100 29.540 29.700 -0.099 0.000 0.757 283 E HN 0.353 nan 8.360 nan 0.000 0.448 284 A N 0.307 122.951 122.820 -0.293 0.000 1.930 284 A HA -0.128 4.192 4.320 0.001 0.000 0.217 284 A C 2.343 179.668 177.584 -0.433 0.000 1.175 284 A CA 1.747 53.490 52.037 -0.491 0.000 0.627 284 A CB -0.423 18.007 19.000 -0.950 0.000 0.815 284 A HN 0.269 nan 8.150 nan 0.000 0.443 285 S N -0.958 114.551 115.700 -0.319 0.000 2.371 285 S HA -0.099 4.371 4.470 0.001 0.000 0.224 285 S C 2.090 176.750 174.600 0.099 0.000 1.029 285 S CA 0.971 59.170 58.200 -0.002 0.000 0.978 285 S CB -0.316 62.840 63.200 -0.072 0.000 0.833 285 S HN 0.616 nan 8.310 nan 0.000 0.466 286 R N 1.288 121.785 120.500 -0.005 0.000 2.083 286 R HA -0.121 4.219 4.340 0.001 0.000 0.237 286 R C 2.394 178.686 176.300 -0.013 0.000 1.137 286 R CA 1.472 57.562 56.100 -0.015 0.000 0.951 286 R CB -0.539 29.739 30.300 -0.037 0.000 0.851 286 R HN 0.400 nan 8.270 nan 0.000 0.434 287 A N 0.327 123.134 122.820 -0.021 0.000 1.908 287 A HA -0.213 4.107 4.320 0.001 0.000 0.218 287 A C 1.966 179.542 177.584 -0.013 0.000 1.181 287 A CA 1.394 53.415 52.037 -0.027 0.000 0.627 287 A CB -0.740 18.238 19.000 -0.036 0.000 0.818 287 A HN 0.518 nan 8.150 nan 0.000 0.445 288 F N 0.557 120.465 119.950 -0.069 0.000 2.113 288 F HA -0.113 4.414 4.527 0.000 0.000 0.297 288 F C 2.248 177.980 175.800 -0.113 0.000 1.103 288 F CA 1.826 59.781 58.000 -0.075 0.000 1.248 288 F CB -0.370 38.650 39.000 0.034 0.000 0.999 288 F HN 0.018 nan 8.300 nan 0.000 0.475 289 V N 0.932 120.826 119.914 -0.033 0.000 2.332 289 V HA -0.288 3.832 4.120 0.001 0.000 0.248 289 V C 2.434 178.401 176.094 -0.212 0.000 1.055 289 V CA 2.221 64.437 62.300 -0.140 0.000 1.038 289 V CB -0.705 31.066 31.823 -0.087 0.000 0.651 289 V HN 0.330 nan 8.190 nan 0.000 0.450 290 E N -0.438 119.668 120.200 -0.156 0.000 2.077 290 E HA -0.250 4.100 4.350 0.001 0.000 0.193 290 E C 2.095 178.576 176.600 -0.198 0.000 0.989 290 E CA 1.559 57.884 56.400 -0.126 0.000 0.800 290 E CB -0.499 29.153 29.700 -0.080 0.000 0.746 290 E HN 0.623 nan 8.360 nan 0.000 0.452 291 M N 0.755 120.176 119.600 -0.299 0.000 2.086 291 M HA -0.152 4.328 4.480 0.001 0.000 0.261 291 M C 2.226 178.201 176.300 -0.542 0.000 1.067 291 M CA 2.021 57.100 55.300 -0.369 0.000 1.116 291 M CB -0.117 32.235 32.600 -0.414 0.000 1.348 291 M HN 0.082 nan 8.290 nan 0.000 0.407 292 A N 0.682 122.983 122.820 -0.865 0.000 1.877 292 A HA -0.218 4.102 4.320 0.001 0.000 0.216 292 A C 2.254 179.444 177.584 -0.655 0.000 1.186 292 A CA 1.922 53.315 52.037 -1.073 0.000 0.620 292 A CB -0.910 17.391 19.000 -1.166 0.000 0.822 292 A HN 0.661 nan 8.150 nan 0.000 0.443 293 R N -0.219 120.139 120.500 -0.238 0.000 2.091 293 R HA -0.209 4.131 4.340 0.001 0.000 0.238 293 R C 2.193 178.591 176.300 0.165 0.000 1.136 293 R CA 1.971 58.161 56.100 0.148 0.000 0.959 293 R CB -0.323 30.052 30.300 0.126 0.000 0.856 293 R HN 0.726 nan 8.270 nan 0.000 0.437 294 E N -0.426 119.772 120.200 -0.003 0.000 2.106 294 E HA -0.164 4.186 4.350 0.001 0.000 0.192 294 E C 1.746 178.339 176.600 -0.012 0.000 0.984 294 E CA 1.024 57.427 56.400 0.005 0.000 0.806 294 E CB -0.051 29.628 29.700 -0.034 0.000 0.750 294 E HN 0.491 nan 8.360 nan 0.000 0.458 295 A N 0.287 123.063 122.820 -0.074 0.000 1.898 295 A HA -0.169 4.151 4.320 0.001 0.000 0.216 295 A C 1.852 179.482 177.584 0.076 0.000 1.181 295 A CA 1.245 53.272 52.037 -0.017 0.000 0.620 295 A CB -0.782 18.239 19.000 0.036 0.000 0.819 295 A HN 0.344 nan 8.150 nan 0.000 0.442 296 Y N -0.232 120.170 120.300 0.172 0.000 2.181 296 Y HA -0.143 4.408 4.550 0.001 0.000 0.288 296 Y C 2.496 178.338 175.900 -0.095 0.000 1.146 296 Y CA 1.125 59.346 58.100 0.203 0.000 1.164 296 Y CB -0.791 37.917 38.460 0.412 0.000 0.982 296 Y HN 0.334 nan 8.280 nan 0.000 0.515 297 R N 0.678 121.127 120.500 -0.086 0.000 2.083 297 R HA -0.194 4.147 4.340 0.001 0.000 0.237 297 R C 2.308 178.473 176.300 -0.224 0.000 1.137 297 R CA 1.721 57.602 56.100 -0.364 0.000 0.951 297 R CB -0.139 30.079 30.300 -0.136 0.000 0.851 297 R HN 0.289 nan 8.270 nan 0.000 0.434 298 R N -0.091 120.349 120.500 -0.100 0.000 2.083 298 R HA -0.136 4.205 4.340 0.001 0.000 0.237 298 R C 2.500 178.729 176.300 -0.118 0.000 1.137 298 R CA 1.968 58.018 56.100 -0.084 0.000 0.951 298 R CB -0.294 29.985 30.300 -0.036 0.000 0.851 298 R HN 0.288 nan 8.270 nan 0.000 0.434 299 R N 0.072 120.515 120.500 -0.095 0.000 2.081 299 R HA -0.108 4.233 4.340 0.001 0.000 0.235 299 R C 2.436 178.502 176.300 -0.391 0.000 1.131 299 R CA 1.245 57.270 56.100 -0.125 0.000 0.960 299 R CB -0.316 30.029 30.300 0.074 0.000 0.856 299 R HN 0.194 nan 8.270 nan 0.000 0.436 300 R N 1.042 121.134 120.500 -0.680 0.000 2.070 300 R HA -0.161 4.179 4.340 0.001 0.000 0.233 300 R C 1.244 177.282 176.300 -0.438 0.000 1.137 300 R CA 2.085 57.620 56.100 -0.942 0.000 0.945 300 R CB -0.183 29.591 30.300 -0.876 0.000 0.845 300 R HN 0.151 nan 8.270 nan 0.000 0.430 301 D N 1.017 121.241 120.400 -0.294 0.000 2.104 301 D HA -0.216 4.425 4.640 0.001 0.000 0.194 301 D C 1.947 178.169 176.300 -0.130 0.000 0.994 301 D CA 1.096 54.996 54.000 -0.167 0.000 0.830 301 D CB -0.378 40.349 40.800 -0.122 0.000 0.959 301 D HN 0.271 nan 8.370 nan 0.000 0.452 302 L N 0.371 121.514 121.223 -0.134 0.000 1.989 302 L HA -0.161 4.179 4.340 0.001 0.000 0.211 302 L C 2.404 179.222 176.870 -0.086 0.000 1.071 302 L CA 1.117 55.902 54.840 -0.093 0.000 0.749 302 L CB -0.213 41.795 42.059 -0.084 0.000 0.890 302 L HN 0.061 nan 8.230 nan 0.000 0.431 303 L N -0.482 120.668 121.223 -0.122 0.000 1.989 303 L HA -0.280 4.060 4.340 0.001 0.000 0.211 303 L C 2.604 179.453 176.870 -0.035 0.000 1.071 303 L CA 1.730 56.524 54.840 -0.077 0.000 0.749 303 L CB -0.327 41.668 42.059 -0.107 0.000 0.890 303 L HN 0.377 nan 8.230 nan 0.000 0.431 304 L N -0.471 120.712 121.223 -0.067 0.000 2.042 304 L HA -0.276 4.064 4.340 0.001 0.000 0.210 304 L C 2.489 179.357 176.870 -0.004 0.000 1.076 304 L CA 1.532 56.358 54.840 -0.023 0.000 0.749 304 L CB -0.568 41.466 42.059 -0.042 0.000 0.893 304 L HN 0.348 nan 8.230 nan 0.000 0.432 305 E N -0.045 120.143 120.200 -0.020 0.000 2.058 305 E HA -0.190 4.161 4.350 0.001 0.000 0.194 305 E C 2.216 178.822 176.600 0.009 0.000 0.997 305 E CA 1.133 57.529 56.400 -0.008 0.000 0.801 305 E CB -0.365 29.324 29.700 -0.018 0.000 0.746 305 E HN 0.570 nan 8.360 nan 0.000 0.450 306 G N 1.282 110.089 108.800 0.011 0.000 2.440 306 G HA2 -0.242 3.718 3.960 0.001 0.000 0.218 306 G HA3 -0.242 3.718 3.960 0.001 0.000 0.218 306 G C 1.584 176.526 174.900 0.071 0.000 1.154 306 G CA 0.574 45.694 45.100 0.032 0.000 0.767 306 G HN 0.073 nan 8.290 nan 0.000 0.552 307 L N 0.297 121.572 121.223 0.086 0.000 2.017 307 L HA -0.091 4.249 4.340 0.001 0.000 0.208 307 L C 3.197 180.106 176.870 0.065 0.000 1.073 307 L CA 1.619 56.524 54.840 0.108 0.000 0.745 307 L CB -1.000 41.125 42.059 0.110 0.000 0.894 307 L HN 0.170 nan 8.230 nan 0.000 0.432 308 T N 0.130 114.711 114.554 0.045 0.000 2.684 308 T HA -0.200 4.150 4.350 0.001 0.000 0.267 308 T C 2.012 176.730 174.700 0.029 0.000 1.036 308 T CA 1.429 63.548 62.100 0.032 0.000 1.148 308 T CB -0.278 68.604 68.868 0.022 0.000 0.863 308 T HN 0.455 nan 8.240 nan 0.000 0.436 309 A N 1.028 123.866 122.820 0.030 0.000 1.978 309 A HA 0.018 4.339 4.320 0.001 0.000 0.220 309 A C 2.139 179.742 177.584 0.032 0.000 1.170 309 A CA 1.195 53.248 52.037 0.027 0.000 0.636 309 A CB -0.711 18.304 19.000 0.025 0.000 0.810 309 A HN 0.522 nan 8.150 nan 0.000 0.448 310 L N -1.488 119.762 121.223 0.045 0.000 2.558 310 L HA 0.194 4.534 4.340 0.001 0.000 0.225 310 L C 1.610 178.497 176.870 0.028 0.000 1.128 310 L CA 0.482 55.350 54.840 0.047 0.000 0.868 310 L CB -0.209 41.898 42.059 0.080 0.000 1.006 310 L HN 0.580 nan 8.230 nan 0.000 0.454 311 G N 0.886 109.700 108.800 0.024 0.000 2.147 311 G HA2 -0.273 3.687 3.960 0.001 0.000 0.244 311 G HA3 -0.273 3.687 3.960 0.001 0.000 0.244 311 G C 0.040 174.944 174.900 0.006 0.000 1.005 311 G CA -0.234 44.874 45.100 0.013 0.000 0.713 311 G HN 0.227 nan 8.290 nan 0.000 0.515 312 L N 0.432 121.662 121.223 0.012 0.000 2.265 312 L HA 0.420 4.760 4.340 0.001 0.000 0.288 312 L C 0.802 177.685 176.870 0.021 0.000 1.058 312 L CA -0.710 54.129 54.840 -0.002 0.000 0.809 312 L CB 1.076 43.125 42.059 -0.017 0.000 1.179 312 L HN 0.053 nan 8.230 nan 0.000 0.429 313 K N 2.997 123.407 120.400 0.018 0.000 2.326 313 K HA 0.670 4.991 4.320 0.001 0.000 0.275 313 K C -0.346 176.305 176.600 0.085 0.000 1.018 313 K CA -0.145 56.169 56.287 0.045 0.000 0.962 313 K CB 1.125 33.649 32.500 0.039 0.000 0.953 313 K HN 0.685 nan 8.250 nan 0.000 0.475 314 A N 1.773 124.656 122.820 0.104 0.000 2.530 314 A HA 0.284 4.605 4.320 0.001 0.000 0.297 314 A C -1.124 176.543 177.584 0.138 0.000 1.059 314 A CA -0.852 51.273 52.037 0.147 0.000 0.782 314 A CB 0.851 19.929 19.000 0.129 0.000 1.301 314 A HN 0.365 nan 8.150 nan 0.000 0.394 315 V N 2.831 122.859 119.914 0.190 0.000 2.572 315 V HA 0.221 4.342 4.120 0.001 0.000 0.291 315 V C 1.175 177.363 176.094 0.157 0.000 1.039 315 V CA -0.046 62.355 62.300 0.169 0.000 1.055 315 V CB 0.956 32.926 31.823 0.246 0.000 0.969 315 V HN 0.885 nan 8.190 nan 0.000 0.482 316 R N 7.517 128.086 120.500 0.116 0.000 2.404 316 R HA 0.168 4.508 4.340 0.001 0.000 0.315 316 R C -2.164 174.215 176.300 0.131 0.000 1.032 316 R CA -0.973 55.189 56.100 0.102 0.000 0.992 316 R CB 0.474 30.817 30.300 0.073 0.000 0.959 316 R HN 0.559 nan 8.270 nan 0.000 0.428 317 P HA 0.129 nan 4.420 nan 0.000 0.282 317 P C -0.755 176.674 177.300 0.215 0.000 1.249 317 P CA -0.397 62.806 63.100 0.173 0.000 0.806 317 P CB 1.875 33.696 31.700 0.201 0.000 0.984 318 S N 0.093 115.909 115.700 0.194 0.000 2.540 318 S HA 0.378 4.848 4.470 0.001 0.000 0.222 318 S C 0.747 175.421 174.600 0.124 0.000 1.008 318 S CA 0.043 58.372 58.200 0.214 0.000 0.939 318 S CB 0.428 63.707 63.200 0.130 0.000 0.865 318 S HN 0.815 nan 8.310 nan 0.000 0.499 319 G N -0.045 108.785 108.800 0.051 0.000 2.682 319 G HA2 0.709 4.669 3.960 0.001 0.000 0.290 319 G HA3 0.709 4.669 3.960 0.001 0.000 0.290 319 G C -0.413 174.360 174.900 -0.212 0.000 1.425 319 G CA 0.015 44.995 45.100 -0.200 0.000 0.807 319 G HN 0.694 nan 8.290 nan 0.000 0.482 320 A N -1.170 121.382 122.820 -0.447 0.000 6.226 320 A HA 0.198 4.518 4.320 0.001 0.000 0.254 320 A C 0.178 177.312 177.584 -0.750 0.000 2.160 320 A CA 1.624 53.103 52.037 -0.931 0.000 0.705 320 A CB -1.474 16.746 19.000 -1.300 0.000 1.036 320 A HN 2.343 nan 8.150 nan 0.000 0.366 321 F N -3.292 115.995 119.950 -1.105 0.000 2.677 321 F HA 0.723 5.251 4.527 0.001 0.000 0.388 321 F C -0.532 174.307 175.800 -1.603 0.000 1.400 321 F CA -0.968 56.105 58.000 -1.544 0.000 1.162 321 F CB -0.529 37.572 39.000 -1.498 0.000 1.135 321 F HN 0.498 nan 8.300 nan 0.000 0.516 322 Y N -0.428 119.604 120.300 -0.447 0.000 2.562 322 Y HA 0.810 5.360 4.550 0.001 0.000 0.343 322 Y C -0.468 175.438 175.900 0.011 0.000 1.025 322 Y CA -2.277 55.700 58.100 -0.206 0.000 1.082 322 Y CB 2.336 40.621 38.460 -0.291 0.000 1.264 322 Y HN -0.097 nan 8.280 nan 0.000 0.478 323 V N 3.186 123.235 119.914 0.225 0.000 2.655 323 V HA 0.292 4.412 4.120 0.001 0.000 0.301 323 V C -0.857 175.293 176.094 0.094 0.000 1.082 323 V CA -0.920 61.490 62.300 0.183 0.000 0.899 323 V CB 2.091 34.060 31.823 0.243 0.000 1.014 323 V HN 0.598 nan 8.190 nan 0.000 0.429 324 L N 5.204 126.450 121.223 0.038 0.000 2.261 324 L HA 0.536 4.876 4.340 0.001 0.000 0.289 324 L C -0.039 176.937 176.870 0.177 0.000 1.059 324 L CA 0.044 54.897 54.840 0.022 0.000 0.816 324 L CB 1.167 43.133 42.059 -0.156 0.000 1.191 324 L HN 0.667 nan 8.230 nan 0.000 0.431 325 M N 3.861 123.562 119.600 0.169 0.000 2.238 325 M HA 0.224 4.704 4.480 0.001 0.000 0.350 325 M C -0.452 175.916 176.300 0.113 0.000 1.138 325 M CA -0.595 54.792 55.300 0.145 0.000 1.040 325 M CB 1.359 33.999 32.600 0.066 0.000 1.639 325 M HN 0.371 nan 8.290 nan 0.000 0.451 326 D N 3.059 123.487 120.400 0.047 0.000 2.358 326 D HA 0.052 4.692 4.640 0.001 0.000 0.258 326 D C 0.601 176.800 176.300 -0.167 0.000 1.223 326 D CA 0.199 54.072 54.000 -0.213 0.000 0.886 326 D CB 1.117 41.840 40.800 -0.127 0.000 1.120 326 D HN 0.737 nan 8.370 nan 0.000 0.482 327 T N -0.022 114.414 114.554 -0.197 0.000 3.188 327 T HA 0.050 4.400 4.350 0.001 0.000 0.250 327 T C 1.702 176.336 174.700 -0.109 0.000 1.077 327 T CA -0.246 61.773 62.100 -0.135 0.000 0.967 327 T CB 0.046 68.855 68.868 -0.098 0.000 1.006 327 T HN 0.150 nan 8.240 nan 0.000 0.552 328 S N 3.301 118.933 115.700 -0.113 0.000 2.368 328 S HA -0.073 4.397 4.470 0.001 0.000 0.226 328 S C -0.053 174.512 174.600 -0.059 0.000 1.044 328 S CA 1.676 59.830 58.200 -0.076 0.000 1.062 328 S CB -1.152 62.007 63.200 -0.068 0.000 0.931 328 S HN 0.618 nan 8.310 nan 0.000 0.440 329 P HA 0.055 nan 4.420 nan 0.000 0.230 329 P C 1.003 178.270 177.300 -0.054 0.000 1.158 329 P CA 0.763 63.833 63.100 -0.051 0.000 0.769 329 P CB -0.094 31.576 31.700 -0.050 0.000 0.807 330 I N -0.710 119.817 120.570 -0.071 0.000 2.429 330 I HA 0.194 4.365 4.170 0.001 0.000 0.247 330 I C 1.376 177.467 176.117 -0.043 0.000 1.099 330 I CA 0.458 61.717 61.300 -0.068 0.000 1.422 330 I CB -1.180 36.760 38.000 -0.100 0.000 1.112 330 I HN -0.095 nan 8.210 nan 0.000 0.430 331 A N 0.780 123.576 122.820 -0.040 0.000 2.586 331 A HA 0.554 4.874 4.320 0.001 0.000 0.290 331 A C -2.144 175.427 177.584 -0.022 0.000 1.086 331 A CA -0.551 51.471 52.037 -0.024 0.000 0.665 331 A CB 0.407 19.398 19.000 -0.015 0.000 1.279 331 A HN -0.060 nan 8.150 nan 0.000 0.423 332 P HA -0.013 nan 4.420 nan 0.000 0.225 332 P C -0.178 177.121 177.300 -0.002 0.000 1.148 332 P CA 1.880 64.974 63.100 -0.010 0.000 0.779 332 P CB -0.229 31.467 31.700 -0.007 0.000 0.780 333 D N -3.101 117.303 120.400 0.007 0.000 2.609 333 D HA 0.138 4.778 4.640 0.001 0.000 0.239 333 D C 0.476 176.798 176.300 0.037 0.000 1.229 333 D CA -0.799 53.220 54.000 0.032 0.000 0.808 333 D CB 0.693 41.518 40.800 0.042 0.000 1.448 333 D HN -0.376 nan 8.370 nan 0.000 0.433 334 E N 0.282 120.524 120.200 0.070 0.000 2.097 334 E HA -0.193 4.158 4.350 0.001 0.000 0.196 334 E C 1.904 178.539 176.600 0.058 0.000 1.000 334 E CA 1.557 57.997 56.400 0.066 0.000 0.804 334 E CB -0.604 29.158 29.700 0.105 0.000 0.740 334 E HN 0.366 nan 8.360 nan 0.000 0.454 335 V N 1.256 121.210 119.914 0.068 0.000 2.261 335 V HA -0.258 3.862 4.120 0.001 0.000 0.246 335 V C 2.275 178.392 176.094 0.037 0.000 1.047 335 V CA 1.987 64.319 62.300 0.054 0.000 1.015 335 V CB -0.489 31.367 31.823 0.055 0.000 0.642 335 V HN 0.203 nan 8.190 nan 0.000 0.446 336 R N 0.519 121.036 120.500 0.029 0.000 2.081 336 R HA -0.060 4.281 4.340 0.001 0.000 0.235 336 R C 2.407 178.714 176.300 0.012 0.000 1.131 336 R CA 1.607 57.718 56.100 0.018 0.000 0.960 336 R CB -1.309 28.997 30.300 0.011 0.000 0.856 336 R HN 0.543 nan 8.270 nan 0.000 0.436 337 A N 1.415 124.239 122.820 0.007 0.000 1.902 337 A HA -0.064 4.256 4.320 0.001 0.000 0.217 337 A C 2.429 180.015 177.584 0.003 0.000 1.181 337 A CA 1.866 53.897 52.037 -0.010 0.000 0.623 337 A CB -0.588 18.395 19.000 -0.027 0.000 0.818 337 A HN 0.350 nan 8.150 nan 0.000 0.443 338 A N -0.239 122.595 122.820 0.024 0.000 1.933 338 A HA -0.169 4.151 4.320 0.001 0.000 0.218 338 A C 1.922 179.532 177.584 0.043 0.000 1.175 338 A CA 1.661 53.722 52.037 0.042 0.000 0.628 338 A CB -0.500 18.532 19.000 0.053 0.000 0.814 338 A HN 0.648 nan 8.150 nan 0.000 0.444 339 E N -0.571 119.650 120.200 0.034 0.000 2.072 339 E HA -0.160 4.190 4.350 0.001 0.000 0.191 339 E C 2.365 178.984 176.600 0.032 0.000 0.985 339 E CA 0.914 57.333 56.400 0.032 0.000 0.801 339 E CB -0.173 29.543 29.700 0.026 0.000 0.750 339 E HN 0.500 nan 8.360 nan 0.000 0.452 340 R N 0.513 121.028 120.500 0.025 0.000 2.083 340 R HA -0.117 4.223 4.340 0.001 0.000 0.237 340 R C 2.490 178.814 176.300 0.041 0.000 1.137 340 R CA 1.067 57.181 56.100 0.024 0.000 0.951 340 R CB -0.380 29.925 30.300 0.008 0.000 0.851 340 R HN 0.198 nan 8.270 nan 0.000 0.434 341 L N 0.633 121.885 121.223 0.049 0.000 2.131 341 L HA -0.163 4.177 4.340 0.001 0.000 0.210 341 L C 2.505 179.436 176.870 0.101 0.000 1.092 341 L CA 0.820 55.719 54.840 0.098 0.000 0.759 341 L CB -0.349 41.781 42.059 0.118 0.000 0.903 341 L HN 0.258 nan 8.230 nan 0.000 0.435 342 L N -0.313 120.954 121.223 0.074 0.000 2.056 342 L HA -0.177 4.164 4.340 0.001 0.000 0.207 342 L C 2.752 179.653 176.870 0.052 0.000 1.078 342 L CA 1.201 56.079 54.840 0.063 0.000 0.749 342 L CB -0.229 41.860 42.059 0.050 0.000 0.901 342 L HN 0.317 nan 8.230 nan 0.000 0.433 343 E N 0.138 120.366 120.200 0.046 0.000 2.118 343 E HA -0.215 4.135 4.350 0.001 0.000 0.195 343 E C 1.957 178.582 176.600 0.043 0.000 0.992 343 E CA 1.319 57.742 56.400 0.038 0.000 0.804 343 E CB -0.224 29.495 29.700 0.032 0.000 0.741 343 E HN 0.522 nan 8.360 nan 0.000 0.458 344 A N 0.110 122.964 122.820 0.058 0.000 2.235 344 A HA 0.265 4.585 4.320 0.001 0.000 0.208 344 A C 1.572 179.193 177.584 0.062 0.000 1.172 344 A CA 1.019 53.096 52.037 0.066 0.000 0.786 344 A CB -0.213 18.845 19.000 0.097 0.000 0.804 344 A HN 0.284 nan 8.150 nan 0.000 0.479 345 G N -1.753 107.081 108.800 0.056 0.000 2.142 345 G HA2 -0.099 3.861 3.960 0.001 0.000 0.225 345 G HA3 -0.099 3.861 3.960 0.001 0.000 0.225 345 G C -0.177 174.751 174.900 0.046 0.000 1.015 345 G CA 0.029 45.154 45.100 0.042 0.000 0.716 345 G HN 0.977 nan 8.290 nan 0.000 0.508 346 V N 0.085 120.047 119.914 0.080 0.000 2.525 346 V HA 0.801 4.921 4.120 0.001 0.000 0.299 346 V C 0.433 176.595 176.094 0.113 0.000 1.034 346 V CA -0.483 61.876 62.300 0.097 0.000 0.863 346 V CB 1.680 33.610 31.823 0.179 0.000 0.999 346 V HN 1.264 nan 8.190 nan 0.000 0.423 347 A N 5.149 128.022 122.820 0.088 0.000 2.276 347 A HA 0.845 5.165 4.320 0.001 0.000 0.300 347 A C -0.473 177.179 177.584 0.112 0.000 1.235 347 A CA -0.290 51.800 52.037 0.088 0.000 0.867 347 A CB 0.753 19.793 19.000 0.065 0.000 1.137 347 A HN 0.733 nan 8.150 nan 0.000 0.527 348 V N 2.353 122.339 119.914 0.120 0.000 3.102 348 V HA 0.436 4.557 4.120 0.001 0.000 0.312 348 V C -0.339 175.825 176.094 0.117 0.000 1.135 348 V CA -0.703 61.677 62.300 0.134 0.000 1.022 348 V CB 2.177 34.092 31.823 0.153 0.000 1.056 348 V HN 0.583 nan 8.190 nan 0.000 0.436 349 V N 4.340 124.331 119.914 0.127 0.000 2.350 349 V HA 0.332 4.453 4.120 0.001 0.000 0.276 349 V C -2.161 174.023 176.094 0.149 0.000 1.028 349 V CA -1.662 60.727 62.300 0.149 0.000 0.860 349 V CB 1.438 33.387 31.823 0.210 0.000 0.990 349 V HN 0.752 nan 8.190 nan 0.000 0.453 350 P HA 0.081 nan 4.420 nan 0.000 0.268 350 P C 0.914 178.314 177.300 0.168 0.000 1.204 350 P CA 0.126 63.295 63.100 0.116 0.000 0.768 350 P CB 1.134 32.887 31.700 0.087 0.000 0.842 351 G N 2.520 111.403 108.800 0.139 0.000 2.882 351 G HA2 -0.110 3.850 3.960 0.001 0.000 0.206 351 G HA3 -0.110 3.850 3.960 0.001 0.000 0.206 351 G C 1.150 176.045 174.900 -0.008 0.000 1.155 351 G CA 0.270 45.463 45.100 0.154 0.000 0.800 351 G HN 0.428 nan 8.290 nan 0.000 0.524 352 T N 1.215 115.757 114.554 -0.020 0.000 2.607 352 T HA -0.162 4.188 4.350 0.001 0.000 0.267 352 T C 1.781 176.355 174.700 -0.210 0.000 1.049 352 T CA 1.527 63.568 62.100 -0.099 0.000 1.162 352 T CB -0.219 68.707 68.868 0.096 0.000 0.863 352 T HN 0.204 nan 8.240 nan 0.000 0.424 353 D N 0.386 120.677 120.400 -0.182 0.000 2.350 353 D HA 0.020 4.661 4.640 0.001 0.000 0.216 353 D C 1.222 177.300 176.300 -0.370 0.000 0.968 353 D CA 0.562 54.396 54.000 -0.276 0.000 0.894 353 D CB -0.284 40.292 40.800 -0.372 0.000 0.909 353 D HN 0.419 nan 8.370 nan 0.000 0.520 354 F N -0.021 119.766 119.950 -0.273 0.000 2.776 354 F HA 0.334 4.861 4.527 0.000 0.000 0.300 354 F C 1.554 176.874 175.800 -0.799 0.000 1.116 354 F CA 0.222 57.984 58.000 -0.396 0.000 1.375 354 F CB 0.072 38.878 39.000 -0.323 0.000 1.109 354 F HN -0.119 nan 8.300 nan 0.000 0.585 355 A N 0.369 122.808 122.820 -0.636 0.000 2.969 355 A HA -0.087 4.234 4.320 0.001 0.000 0.252 355 A C 0.845 177.956 177.584 -0.788 0.000 1.377 355 A CA 0.601 52.115 52.037 -0.873 0.000 0.859 355 A CB -2.086 16.490 19.000 -0.706 0.000 1.077 355 A HN 0.630 nan 8.150 nan 0.000 0.671 356 A N -0.025 122.419 122.820 -0.627 0.000 3.173 356 A HA 0.642 4.963 4.320 0.001 0.000 0.304 356 A C -0.022 177.465 177.584 -0.163 0.000 1.318 356 A CA -0.455 51.391 52.037 -0.318 0.000 1.069 356 A CB -0.574 18.267 19.000 -0.265 0.000 1.147 356 A HN 0.821 nan 8.150 nan 0.000 0.547 357 F N 0.320 120.353 119.950 0.138 0.000 2.506 357 F HA 0.415 4.943 4.527 0.000 0.000 0.351 357 F C 1.654 177.580 175.800 0.210 0.000 1.136 357 F CA 1.196 59.280 58.000 0.139 0.000 1.298 357 F CB 0.526 39.578 39.000 0.087 0.000 1.145 357 F HN 0.646 nan 8.300 nan 0.000 0.593 358 G N 0.923 109.884 108.800 0.267 0.000 2.162 358 G HA2 -0.282 3.679 3.960 0.001 0.000 0.260 358 G HA3 -0.282 3.679 3.960 0.001 0.000 0.260 358 G C -0.318 174.447 174.900 -0.224 0.000 0.976 358 G CA 0.121 45.239 45.100 0.030 0.000 0.655 358 G HN 0.858 nan 8.290 nan 0.000 0.533 359 H N -2.023 117.085 119.070 0.063 0.000 2.865 359 H HA 0.758 5.314 4.556 0.000 0.000 0.372 359 H C -0.681 174.651 175.328 0.006 0.000 1.173 359 H CA -0.510 55.554 56.048 0.027 0.000 1.147 359 H CB 2.483 32.256 29.762 0.018 0.000 1.805 359 H HN 0.302 nan 8.280 nan 0.000 0.553 360 V N 1.850 121.833 119.914 0.116 0.000 2.656 360 V HA 0.399 4.519 4.120 0.001 0.000 0.307 360 V C -0.717 175.406 176.094 0.048 0.000 1.051 360 V CA -0.795 61.547 62.300 0.070 0.000 0.893 360 V CB 1.843 33.693 31.823 0.044 0.000 0.999 360 V HN 0.652 nan 8.190 nan 0.000 0.426 361 R N 5.855 126.360 120.500 0.008 0.000 2.221 361 R HA 0.516 4.857 4.340 0.001 0.000 0.327 361 R C -1.472 174.869 176.300 0.068 0.000 1.033 361 R CA -0.375 55.694 56.100 -0.053 0.000 0.887 361 R CB 0.742 30.868 30.300 -0.289 0.000 1.057 361 R HN 0.680 nan 8.270 nan 0.000 0.455 362 L N 2.334 123.631 121.223 0.124 0.000 2.317 362 L HA 0.349 4.689 4.340 0.001 0.000 0.281 362 L C 0.309 177.318 176.870 0.232 0.000 1.024 362 L CA -0.614 54.343 54.840 0.195 0.000 0.810 362 L CB 1.879 44.079 42.059 0.236 0.000 1.240 362 L HN 0.531 nan 8.230 nan 0.000 0.427 363 S N 1.582 117.404 115.700 0.204 0.000 2.478 363 S HA 0.410 4.881 4.470 0.001 0.000 0.312 363 S C -0.310 174.319 174.600 0.047 0.000 1.094 363 S CA -0.622 57.653 58.200 0.125 0.000 1.081 363 S CB 0.601 63.905 63.200 0.174 0.000 1.007 363 S HN 0.484 nan 8.310 nan 0.000 0.475 364 Y N 2.757 123.049 120.300 -0.013 0.000 2.811 364 Y HA 0.676 5.227 4.550 0.000 0.000 0.330 364 Y C 0.618 176.452 175.900 -0.110 0.000 1.081 364 Y CA -0.804 57.270 58.100 -0.045 0.000 1.408 364 Y CB -0.477 37.975 38.460 -0.013 0.000 1.235 364 Y HN 0.641 nan 8.280 nan 0.000 0.529 365 A N 1.081 123.729 122.820 -0.287 0.000 3.163 365 A HA 0.515 4.835 4.320 0.001 0.000 0.283 365 A C 0.388 177.861 177.584 -0.186 0.000 1.412 365 A CA 0.252 52.060 52.037 -0.381 0.000 1.053 365 A CB -1.086 17.340 19.000 -0.956 0.000 1.082 365 A HN 0.506 nan 8.150 nan 0.000 0.639 366 T N -2.802 111.707 114.554 -0.075 0.000 2.778 366 T HA 0.618 4.968 4.350 0.001 0.000 0.293 366 T C 0.163 174.828 174.700 -0.057 0.000 1.144 366 T CA -0.083 61.970 62.100 -0.079 0.000 1.010 366 T CB 0.793 69.630 68.868 -0.052 0.000 1.325 366 T HN 0.611 nan 8.240 nan 0.000 0.515 367 S N -0.185 115.473 115.700 -0.070 0.000 2.579 367 S HA 0.185 4.656 4.470 0.001 0.000 0.275 367 S C 0.925 175.504 174.600 -0.035 0.000 1.345 367 S CA -0.560 57.604 58.200 -0.059 0.000 1.031 367 S CB 0.323 63.486 63.200 -0.061 0.000 0.892 367 S HN 0.772 nan 8.310 nan 0.000 0.529 368 E N 0.724 120.907 120.200 -0.030 0.000 2.153 368 E HA -0.208 4.142 4.350 0.001 0.000 0.194 368 E C 1.892 178.469 176.600 -0.038 0.000 0.988 368 E CA 1.207 57.590 56.400 -0.029 0.000 0.811 368 E CB -0.101 29.583 29.700 -0.027 0.000 0.746 368 E HN 0.910 nan 8.360 nan 0.000 0.466 369 E N 1.103 121.281 120.200 -0.037 0.000 2.051 369 E HA -0.218 4.132 4.350 0.001 0.000 0.192 369 E C 1.786 178.358 176.600 -0.048 0.000 0.991 369 E CA 1.086 57.463 56.400 -0.039 0.000 0.799 369 E CB 0.093 29.773 29.700 -0.034 0.000 0.748 369 E HN 0.136 nan 8.360 nan 0.000 0.449 370 N N 0.551 119.222 118.700 -0.048 0.000 2.223 370 N HA -0.133 4.607 4.740 0.001 0.000 0.185 370 N C 1.988 177.452 175.510 -0.076 0.000 1.016 370 N CA 0.793 53.810 53.050 -0.056 0.000 0.863 370 N CB -0.200 38.259 38.487 -0.047 0.000 0.983 370 N HN 0.269 nan 8.380 nan 0.000 0.429 371 L N 0.616 121.799 121.223 -0.067 0.000 2.093 371 L HA -0.054 4.286 4.340 0.001 0.000 0.208 371 L C 2.389 179.190 176.870 -0.116 0.000 1.085 371 L CA 0.886 55.675 54.840 -0.085 0.000 0.755 371 L CB -0.189 41.840 42.059 -0.050 0.000 0.904 371 L HN 0.106 nan 8.230 nan 0.000 0.435 372 R N 0.157 120.605 120.500 -0.086 0.000 2.075 372 R HA -0.124 4.216 4.340 0.001 0.000 0.232 372 R C 2.306 178.547 176.300 -0.099 0.000 1.126 372 R CA 1.084 57.136 56.100 -0.081 0.000 0.963 372 R CB -0.202 30.065 30.300 -0.054 0.000 0.858 372 R HN 0.298 nan 8.270 nan 0.000 0.435 373 K N 0.468 120.811 120.400 -0.095 0.000 2.097 373 K HA -0.092 4.229 4.320 0.001 0.000 0.206 373 K C 2.168 178.677 176.600 -0.153 0.000 1.049 373 K CA 1.347 57.577 56.287 -0.094 0.000 0.933 373 K CB -0.126 32.332 32.500 -0.070 0.000 0.717 373 K HN 0.151 nan 8.250 nan 0.000 0.442 374 A N 1.470 124.150 122.820 -0.234 0.000 1.898 374 A HA -0.116 4.204 4.320 0.001 0.000 0.216 374 A C 2.128 179.296 177.584 -0.693 0.000 1.181 374 A CA 1.139 52.905 52.037 -0.452 0.000 0.620 374 A CB -0.578 18.124 19.000 -0.497 0.000 0.819 374 A HN 0.148 nan 8.150 nan 0.000 0.442 375 L N -0.651 120.294 121.223 -0.464 0.000 2.083 375 L HA -0.213 4.127 4.340 0.001 0.000 0.209 375 L C 2.668 179.481 176.870 -0.095 0.000 1.083 375 L CA 1.797 56.470 54.840 -0.277 0.000 0.752 375 L CB -0.472 41.517 42.059 -0.117 0.000 0.899 375 L HN 0.640 nan 8.230 nan 0.000 0.433 376 E N 0.217 120.361 120.200 -0.092 0.000 2.058 376 E HA -0.241 4.110 4.350 0.001 0.000 0.194 376 E C 2.363 178.969 176.600 0.009 0.000 0.997 376 E CA 1.058 57.441 56.400 -0.028 0.000 0.801 376 E CB 0.152 29.830 29.700 -0.037 0.000 0.746 376 E HN 0.319 nan 8.360 nan 0.000 0.450 377 R N -0.057 120.432 120.500 -0.017 0.000 2.073 377 R HA -0.122 4.218 4.340 0.001 0.000 0.234 377 R C 2.326 178.749 176.300 0.205 0.000 1.134 377 R CA 0.926 57.062 56.100 0.060 0.000 0.952 377 R CB -1.007 29.314 30.300 0.036 0.000 0.850 377 R HN 0.291 nan 8.270 nan 0.000 0.433 378 F N 1.338 121.296 119.950 0.013 0.000 2.120 378 F HA -0.155 4.373 4.527 0.001 0.000 0.300 378 F C 2.595 178.401 175.800 0.011 0.000 1.095 378 F CA 0.767 58.776 58.000 0.014 0.000 1.249 378 F CB -1.280 37.729 39.000 0.016 0.000 0.995 378 F HN 0.079 nan 8.300 nan 0.000 0.480 379 A N 0.183 123.130 122.820 0.211 0.000 1.902 379 A HA -0.201 4.119 4.320 0.001 0.000 0.217 379 A C 2.347 179.980 177.584 0.082 0.000 1.181 379 A CA 1.468 53.574 52.037 0.114 0.000 0.623 379 A CB -0.697 18.350 19.000 0.078 0.000 0.818 379 A HN 0.332 nan 8.150 nan 0.000 0.443 380 R N -0.589 119.960 120.500 0.081 0.000 2.193 380 R HA -0.060 4.280 4.340 0.001 0.000 0.229 380 R C 1.615 177.949 176.300 0.056 0.000 1.110 380 R CA 1.276 57.411 56.100 0.058 0.000 0.988 380 R CB -0.396 29.936 30.300 0.053 0.000 0.871 380 R HN 0.411 nan 8.270 nan 0.000 0.458 381 V N 0.986 120.945 119.914 0.074 0.000 3.129 381 V HA 0.012 4.133 4.120 0.001 0.000 0.259 381 V C 1.109 177.218 176.094 0.025 0.000 1.116 381 V CA 0.978 63.307 62.300 0.049 0.000 1.127 381 V CB -0.332 31.523 31.823 0.053 0.000 0.742 381 V HN 0.125 nan 8.190 nan 0.000 0.474 382 L N 0.000 121.241 121.223 0.030 0.000 2.949 382 L HA 0.000 4.340 4.340 0.001 0.000 0.249 382 L CA 0.000 54.850 54.840 0.016 0.000 0.813 382 L CB 0.000 42.067 42.059 0.014 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502