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 1pgw_1_2 DATA FIRST_RESID 20 DATA SEQUENCE MLDLKISQSK IALPKNTVGG TILRSDLLAN FLTEGNFRAS VDLQRTHRIK DATA SEQUENCE GMIKMVATVG IPENTGIALA CAMNSSIRGR ASSDIYTICS QDCELWNPAC DATA SEQUENCE TKAMTMSFNP NPCSDAWSLE FLKRTGFHCD IICVTGWTAT PMQDVQVTID DATA SEQUENCE WFISSQECVP RTYCVLNPQN PFVLNRWMGK LTFPQGTSRS VKRMPLSIGG DATA SEQUENCE GAGAKSAILM NMPNAVLSMW RYFVGDLVFE VSKMTSPYIK CTVSFFIAFG DATA SEQUENCE NLADDTINFE AFPHKLVQFG EIQEKVVLKF SQEEFLTAWS TQVRPATTLL DATA SEQUENCE ADGCPYLYAM VHDSSVSTIP GDFVIGVKLT IIENMCAYGL NPGISGSRLL DATA SEQUENCE G 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 20 M HA 0.000 nan 4.480 nan 0.000 0.227 20 M C 0.000 176.381 176.300 0.135 0.000 1.140 20 M CA 0.000 55.231 55.300 -0.115 0.000 0.988 20 M CB 0.000 32.413 32.600 -0.311 0.000 1.302 21 L N 2.750 124.064 121.223 0.152 0.000 2.143 21 L HA -0.321 4.019 4.340 -0.000 0.000 0.231 21 L C 1.729 178.709 176.870 0.183 0.000 1.106 21 L CA 2.848 57.802 54.840 0.190 0.000 0.827 21 L CB -0.798 41.333 42.059 0.121 0.000 0.915 21 L HN 0.480 nan 8.230 nan 0.000 0.448 22 D N -0.885 119.593 120.400 0.131 0.000 2.178 22 D HA -0.115 4.525 4.640 -0.000 0.000 0.202 22 D C 1.997 178.376 176.300 0.131 0.000 0.974 22 D CA 1.414 55.481 54.000 0.111 0.000 0.841 22 D CB -0.020 40.822 40.800 0.070 0.000 0.953 22 D HN 0.421 nan 8.370 nan 0.000 0.478 23 L N 0.622 121.944 121.223 0.165 0.000 2.627 23 L HA 0.071 4.411 4.340 -0.000 0.000 0.232 23 L C 0.924 177.974 176.870 0.300 0.000 1.150 23 L CA -0.047 54.911 54.840 0.197 0.000 0.917 23 L CB 0.059 42.216 42.059 0.163 0.000 1.104 23 L HN -0.198 nan 8.230 nan 0.000 0.445 24 K N 1.511 122.076 120.400 0.274 0.000 2.276 24 K HA 0.146 4.466 4.320 -0.000 0.000 0.283 24 K C 1.031 177.647 176.600 0.026 0.000 1.044 24 K CA -0.113 56.191 56.287 0.029 0.000 0.944 24 K CB 0.924 33.384 32.500 -0.067 0.000 1.012 24 K HN 0.185 nan 8.250 nan 0.000 0.472 25 I N -0.713 119.831 120.570 -0.044 0.000 4.312 25 I HA 0.259 4.429 4.170 -0.000 0.000 0.324 25 I C 0.360 176.549 176.117 0.119 0.000 1.298 25 I CA -0.475 60.872 61.300 0.080 0.000 1.231 25 I CB 0.945 39.002 38.000 0.094 0.000 1.152 25 I HN 0.378 nan 8.210 nan 0.000 0.421 26 S N 0.171 115.864 115.700 -0.011 0.000 2.636 26 S HA 0.427 4.897 4.470 -0.000 0.000 0.266 26 S C -1.899 172.707 174.600 0.009 0.000 1.147 26 S CA -0.534 57.736 58.200 0.116 0.000 0.815 26 S CB 1.831 65.072 63.200 0.069 0.000 1.119 26 S HN 0.415 nan 8.310 nan 0.000 0.470 27 Q N 1.556 121.480 119.800 0.208 0.000 2.280 27 Q HA 0.572 4.912 4.340 -0.000 0.000 0.259 27 Q C -1.875 174.296 176.000 0.286 0.000 0.964 27 Q CA -0.428 55.462 55.803 0.145 0.000 0.844 27 Q CB 1.772 30.474 28.738 -0.061 0.000 1.334 27 Q HN 0.680 nan 8.270 nan 0.000 0.423 28 S N 3.097 119.004 115.700 0.346 0.000 2.537 28 S HA 0.590 5.060 4.470 -0.000 0.000 0.301 28 S C -1.020 173.702 174.600 0.202 0.000 1.092 28 S CA -0.878 57.524 58.200 0.336 0.000 1.048 28 S CB 1.484 65.049 63.200 0.609 0.000 1.053 28 S HN 0.462 nan 8.310 nan 0.000 0.501 29 K N 2.194 122.690 120.400 0.160 0.000 2.483 29 K HA 0.436 4.756 4.320 -0.000 0.000 0.256 29 K C -1.106 175.567 176.600 0.122 0.000 0.961 29 K CA -0.586 55.773 56.287 0.121 0.000 0.873 29 K CB 1.110 33.667 32.500 0.094 0.000 1.107 29 K HN 0.410 nan 8.250 nan 0.000 0.432 30 I N 2.380 123.030 120.570 0.133 0.000 2.353 30 I HA 0.266 4.436 4.170 -0.000 0.000 0.293 30 I C 0.637 176.812 176.117 0.097 0.000 0.992 30 I CA -0.741 60.637 61.300 0.129 0.000 1.268 30 I CB 1.108 39.203 38.000 0.158 0.000 1.387 30 I HN 0.598 nan 8.210 nan 0.000 0.478 31 A N 7.411 130.280 122.820 0.081 0.000 2.331 31 A HA 0.583 4.903 4.320 -0.000 0.000 0.283 31 A C -0.324 177.307 177.584 0.079 0.000 1.142 31 A CA -0.392 51.690 52.037 0.075 0.000 0.812 31 A CB 0.594 19.631 19.000 0.060 0.000 1.074 31 A HN 0.766 nan 8.150 nan 0.000 0.497 32 L N 4.724 126.011 121.223 0.106 0.000 2.433 32 L HA 0.324 4.664 4.340 -0.000 0.000 0.256 32 L C -2.586 174.418 176.870 0.223 0.000 1.063 32 L CA -2.090 52.835 54.840 0.143 0.000 0.922 32 L CB 2.056 44.206 42.059 0.152 0.000 1.238 32 L HN 0.452 nan 8.230 nan 0.000 0.466 33 P HA -0.005 nan 4.420 nan 0.000 0.266 33 P C 0.224 177.669 177.300 0.243 0.000 1.195 33 P CA -0.081 63.111 63.100 0.153 0.000 0.768 33 P CB 0.517 32.280 31.700 0.106 0.000 0.838 34 K N 2.289 122.713 120.400 0.040 0.000 2.442 34 K HA -0.169 4.151 4.320 -0.000 0.000 0.198 34 K C 0.268 176.790 176.600 -0.131 0.000 1.044 34 K CA 1.800 57.951 56.287 -0.227 0.000 0.948 34 K CB -0.696 31.632 32.500 -0.287 0.000 0.762 34 K HN 0.436 nan 8.250 nan 0.000 0.472 35 N N -0.005 118.744 118.700 0.080 0.000 2.234 35 N HA 0.028 4.768 4.740 -0.000 0.000 0.227 35 N C -0.762 174.865 175.510 0.196 0.000 1.151 35 N CA -0.435 52.684 53.050 0.116 0.000 0.865 35 N CB 0.681 39.196 38.487 0.046 0.000 1.066 35 N HN -0.116 nan 8.380 nan 0.000 0.515 36 T N 0.186 114.922 114.554 0.303 0.000 2.937 36 T HA 0.084 4.434 4.350 -0.000 0.000 0.316 36 T C 1.549 176.307 174.700 0.097 0.000 1.079 36 T CA 0.217 62.410 62.100 0.156 0.000 1.131 36 T CB 1.389 70.312 68.868 0.091 0.000 1.000 36 T HN 0.233 nan 8.240 nan 0.000 0.549 37 V N -0.409 119.515 119.914 0.018 0.000 3.307 37 V HA 0.658 4.778 4.120 -0.000 0.000 0.244 37 V C 0.824 176.888 176.094 -0.050 0.000 1.196 37 V CA 0.523 62.822 62.300 -0.002 0.000 1.132 37 V CB -0.630 31.200 31.823 0.011 0.000 0.875 37 V HN 1.318 nan 8.190 nan 0.000 0.468 38 G N -0.941 107.813 108.800 -0.077 0.000 3.400 38 G HA2 0.491 4.451 3.960 -0.000 0.000 0.679 38 G HA3 0.491 4.451 3.960 -0.000 0.000 0.679 38 G C 0.550 175.407 174.900 -0.073 0.000 1.239 38 G CA -0.135 44.908 45.100 -0.095 0.000 1.049 38 G HN 1.800 nan 8.290 nan 0.000 0.539 39 G N 0.470 109.217 108.800 -0.089 0.000 2.195 39 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.246 39 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.246 39 G C 0.647 175.509 174.900 -0.063 0.000 0.984 39 G CA 0.851 45.907 45.100 -0.074 0.000 0.633 39 G HN 1.957 nan 8.290 nan 0.000 0.525 40 T N 1.762 116.277 114.554 -0.065 0.000 2.814 40 T HA 0.516 4.866 4.350 -0.000 0.000 0.297 40 T C 0.791 175.462 174.700 -0.049 0.000 0.956 40 T CA 0.094 62.166 62.100 -0.047 0.000 1.123 40 T CB 1.379 70.221 68.868 -0.043 0.000 0.902 40 T HN 0.306 nan 8.240 nan 0.000 0.528 41 I N 4.638 125.193 120.570 -0.026 0.000 2.337 41 I HA 0.045 4.215 4.170 -0.000 0.000 0.291 41 I C 0.720 176.840 176.117 0.005 0.000 1.046 41 I CA -0.593 60.701 61.300 -0.011 0.000 1.324 41 I CB 1.069 39.073 38.000 0.007 0.000 1.409 41 I HN 0.487 nan 8.210 nan 0.000 0.494 42 L N 5.787 127.014 121.223 0.007 0.000 2.072 42 L HA 0.119 4.459 4.340 -0.000 0.000 0.205 42 L C 0.970 177.878 176.870 0.064 0.000 1.079 42 L CA 1.363 56.219 54.840 0.028 0.000 0.752 42 L CB -0.777 41.293 42.059 0.019 0.000 0.906 42 L HN 0.598 nan 8.230 nan 0.000 0.436 43 R N -1.446 119.114 120.500 0.099 0.000 2.633 43 R HA 0.350 4.690 4.340 -0.000 0.000 0.256 43 R C -1.434 174.978 176.300 0.186 0.000 1.131 43 R CA -0.069 56.113 56.100 0.137 0.000 0.994 43 R CB 1.282 31.698 30.300 0.194 0.000 1.261 43 R HN -0.075 nan 8.270 nan 0.000 0.446 44 S N 2.860 118.643 115.700 0.140 0.000 2.733 44 S HA 0.529 4.999 4.470 -0.000 0.000 0.294 44 S C -1.615 173.035 174.600 0.083 0.000 1.149 44 S CA -0.484 57.802 58.200 0.144 0.000 1.034 44 S CB 1.344 64.648 63.200 0.174 0.000 1.015 44 S HN 0.655 nan 8.310 nan 0.000 0.486 45 D N 2.327 122.715 120.400 -0.020 0.000 2.759 45 D HA 0.397 5.036 4.640 -0.000 0.000 0.321 45 D C -1.405 174.797 176.300 -0.163 0.000 1.267 45 D CA -0.554 53.417 54.000 -0.049 0.000 0.933 45 D CB 1.133 41.822 40.800 -0.184 0.000 1.431 45 D HN 0.473 nan 8.370 nan 0.000 0.504 46 L N 1.837 123.059 121.223 -0.002 0.000 2.380 46 L HA 0.169 4.509 4.340 -0.000 0.000 0.273 46 L C 1.478 178.439 176.870 0.150 0.000 1.138 46 L CA -0.025 54.855 54.840 0.066 0.000 0.832 46 L CB 0.807 42.906 42.059 0.067 0.000 1.124 46 L HN 0.487 nan 8.230 nan 0.000 0.454 47 L N 4.807 126.130 121.223 0.167 0.000 2.079 47 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 47 L C 2.263 179.152 176.870 0.032 0.000 1.081 47 L CA 2.200 57.120 54.840 0.133 0.000 0.752 47 L CB -0.779 41.374 42.059 0.156 0.000 0.896 47 L HN 0.817 nan 8.230 nan 0.000 0.433 48 A N -0.613 122.228 122.820 0.034 0.000 2.032 48 A HA -0.292 4.028 4.320 -0.000 0.000 0.221 48 A C 2.083 179.648 177.584 -0.032 0.000 1.165 48 A CA 2.301 54.337 52.037 -0.002 0.000 0.645 48 A CB -1.027 17.993 19.000 0.034 0.000 0.807 48 A HN 0.752 nan 8.150 nan 0.000 0.453 49 N N -1.853 116.833 118.700 -0.023 0.000 2.354 49 N HA 0.027 4.767 4.740 -0.000 0.000 0.179 49 N C 1.239 176.658 175.510 -0.151 0.000 1.021 49 N CA 0.893 53.885 53.050 -0.097 0.000 0.887 49 N CB -0.182 38.215 38.487 -0.150 0.000 0.974 49 N HN 0.504 nan 8.380 nan 0.000 0.437 50 F N 1.028 120.834 119.950 -0.240 0.000 2.259 50 F HA 0.053 4.580 4.527 -0.000 0.000 0.298 50 F C 1.641 177.076 175.800 -0.607 0.000 1.088 50 F CA 0.645 58.447 58.000 -0.331 0.000 1.358 50 F CB -0.041 38.695 39.000 -0.439 0.000 1.040 50 F HN -0.012 nan 8.300 nan 0.000 0.505 51 L N -1.061 119.902 121.223 -0.434 0.000 2.610 51 L HA -0.005 4.335 4.340 -0.000 0.000 0.232 51 L C 1.141 177.918 176.870 -0.155 0.000 1.149 51 L CA 0.682 55.263 54.840 -0.431 0.000 0.872 51 L CB -0.578 41.293 42.059 -0.314 0.000 0.992 51 L HN 0.029 nan 8.230 nan 0.000 0.447 52 T N -0.815 113.681 114.554 -0.098 0.000 3.200 52 T HA 0.132 4.482 4.350 -0.000 0.000 0.284 52 T C 0.261 174.967 174.700 0.011 0.000 1.009 52 T CA -0.186 61.899 62.100 -0.025 0.000 0.907 52 T CB 0.085 68.935 68.868 -0.030 0.000 1.120 52 T HN 0.243 nan 8.240 nan 0.000 0.534 53 E N 1.595 121.820 120.200 0.042 0.000 2.081 53 E HA 0.531 4.881 4.350 -0.000 0.000 0.281 53 E C 0.389 177.108 176.600 0.198 0.000 0.986 53 E CA -0.561 55.895 56.400 0.093 0.000 0.796 53 E CB 1.229 30.992 29.700 0.105 0.000 1.085 53 E HN 0.404 nan 8.360 nan 0.000 0.398 54 G N 3.170 112.043 108.800 0.122 0.000 2.692 54 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.686 54 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.686 54 G C -0.756 174.130 174.900 -0.023 0.000 1.243 54 G CA -1.028 44.113 45.100 0.069 0.000 0.782 54 G HN 0.530 nan 8.290 nan 0.000 0.625 55 N N 0.444 118.959 118.700 -0.309 0.000 2.699 55 N HA 0.682 5.422 4.740 -0.000 0.000 0.232 55 N C -0.211 175.031 175.510 -0.447 0.000 1.027 55 N CA -0.281 52.621 53.050 -0.246 0.000 0.920 55 N CB 0.093 38.473 38.487 -0.178 0.000 1.148 55 N HN 0.414 nan 8.380 nan 0.000 0.509 56 F N 0.368 120.324 119.950 0.010 0.000 2.535 56 F HA 0.486 5.013 4.527 -0.000 0.000 0.367 56 F C 1.967 177.778 175.800 0.018 0.000 1.096 56 F CA -0.891 57.118 58.000 0.014 0.000 1.088 56 F CB 0.736 39.741 39.000 0.008 0.000 1.387 56 F HN 0.170 nan 8.300 nan 0.000 0.494 57 R N 0.438 121.082 120.500 0.240 0.000 2.113 57 R HA -0.176 4.164 4.340 -0.000 0.000 0.244 57 R C 1.441 177.804 176.300 0.105 0.000 1.142 57 R CA 1.776 57.958 56.100 0.136 0.000 0.953 57 R CB -0.786 29.593 30.300 0.132 0.000 0.860 57 R HN 0.609 nan 8.270 nan 0.000 0.438 58 A N 0.250 123.143 122.820 0.123 0.000 2.337 58 A HA 0.145 4.465 4.320 -0.000 0.000 0.227 58 A C 1.756 179.385 177.584 0.074 0.000 1.259 58 A CA -0.016 52.072 52.037 0.085 0.000 0.870 58 A CB 0.092 19.146 19.000 0.091 0.000 0.927 58 A HN 0.144 nan 8.150 nan 0.000 0.497 59 S N -0.230 115.525 115.700 0.093 0.000 2.353 59 S HA -0.184 4.285 4.470 -0.000 0.000 0.222 59 S C 2.059 176.677 174.600 0.030 0.000 1.035 59 S CA 1.821 60.066 58.200 0.074 0.000 1.025 59 S CB -0.558 62.695 63.200 0.089 0.000 0.902 59 S HN 1.005 nan 8.310 nan 0.000 0.440 60 V N 1.144 121.066 119.914 0.012 0.000 2.809 60 V HA -0.096 4.024 4.120 -0.000 0.000 0.256 60 V C 1.541 177.618 176.094 -0.029 0.000 1.080 60 V CA 1.807 64.101 62.300 -0.010 0.000 1.102 60 V CB -0.611 31.203 31.823 -0.016 0.000 0.705 60 V HN 0.186 nan 8.190 nan 0.000 0.475 61 D N 0.464 120.850 120.400 -0.023 0.000 2.117 61 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 61 D C 1.971 178.227 176.300 -0.074 0.000 0.982 61 D CA 1.788 55.758 54.000 -0.050 0.000 0.828 61 D CB -0.256 40.524 40.800 -0.034 0.000 0.967 61 D HN 0.535 nan 8.370 nan 0.000 0.464 62 L N 0.918 122.118 121.223 -0.038 0.000 2.127 62 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 62 L C 1.804 178.642 176.870 -0.054 0.000 1.089 62 L CA 1.725 56.542 54.840 -0.039 0.000 0.757 62 L CB -0.283 41.801 42.059 0.041 0.000 0.899 62 L HN 0.034 nan 8.230 nan 0.000 0.434 63 Q N -1.286 118.488 119.800 -0.044 0.000 2.402 63 Q HA 0.108 4.448 4.340 -0.000 0.000 0.206 63 Q C 0.810 176.755 176.000 -0.093 0.000 0.919 63 Q CA 0.208 55.983 55.803 -0.047 0.000 0.923 63 Q CB 0.365 29.090 28.738 -0.023 0.000 1.048 63 Q HN 0.358 nan 8.270 nan 0.000 0.515 64 R N 0.657 121.080 120.500 -0.127 0.000 2.613 64 R HA 0.252 4.592 4.340 -0.000 0.000 0.361 64 R C -0.453 175.668 176.300 -0.298 0.000 1.072 64 R CA 0.160 56.149 56.100 -0.185 0.000 1.089 64 R CB 1.009 31.238 30.300 -0.118 0.000 1.343 64 R HN -0.034 nan 8.270 nan 0.000 0.571 65 T N 0.322 114.689 114.554 -0.311 0.000 2.812 65 T HA 0.288 4.638 4.350 -0.000 0.000 0.282 65 T C 0.779 175.265 174.700 -0.357 0.000 0.990 65 T CA -0.591 61.308 62.100 -0.335 0.000 0.960 65 T CB 1.761 70.488 68.868 -0.235 0.000 0.948 65 T HN 0.153 nan 8.240 nan 0.000 0.438 66 H N 2.412 121.420 119.070 -0.103 0.000 2.462 66 H HA 0.154 4.710 4.556 -0.000 0.000 0.292 66 H C 0.610 175.851 175.328 -0.145 0.000 1.049 66 H CA 0.757 56.746 56.048 -0.097 0.000 1.334 66 H CB 0.512 30.235 29.762 -0.064 0.000 1.404 66 H HN 0.326 nan 8.280 nan 0.000 0.544 67 R N 0.113 120.548 120.500 -0.108 0.000 2.564 67 R HA 0.551 4.891 4.340 -0.000 0.000 0.284 67 R C -0.982 175.114 176.300 -0.339 0.000 1.031 67 R CA -0.435 55.539 56.100 -0.210 0.000 0.904 67 R CB 2.464 32.680 30.300 -0.139 0.000 1.199 67 R HN -0.066 nan 8.270 nan 0.000 0.443 68 I N 2.999 123.229 120.570 -0.567 0.000 2.466 68 I HA 0.274 4.444 4.170 -0.000 0.000 0.289 68 I C 0.624 176.424 176.117 -0.529 0.000 1.026 68 I CA -0.675 60.219 61.300 -0.676 0.000 1.078 68 I CB 2.092 39.344 38.000 -1.246 0.000 1.249 68 I HN 0.516 nan 8.210 nan 0.000 0.429 69 K N 3.701 123.953 120.400 -0.246 0.000 2.352 69 K HA 0.216 4.536 4.320 -0.000 0.000 0.194 69 K C 0.850 177.459 176.600 0.015 0.000 1.038 69 K CA 0.043 56.275 56.287 -0.093 0.000 1.023 69 K CB 0.439 32.898 32.500 -0.068 0.000 0.840 69 K HN 0.707 nan 8.250 nan 0.000 0.519 70 G N 1.756 110.573 108.800 0.028 0.000 2.483 70 G HA2 0.293 4.253 3.960 -0.000 0.000 0.248 70 G HA3 0.293 4.253 3.960 -0.000 0.000 0.248 70 G C 0.072 175.108 174.900 0.228 0.000 1.248 70 G CA -0.474 44.682 45.100 0.094 0.000 0.838 70 G HN -0.034 nan 8.290 nan 0.000 0.566 71 M N 0.394 120.053 119.600 0.098 0.000 2.198 71 M HA 0.245 4.725 4.480 -0.000 0.000 0.315 71 M C 0.279 176.517 176.300 -0.103 0.000 1.134 71 M CA 0.191 55.477 55.300 -0.024 0.000 1.171 71 M CB 0.901 33.448 32.600 -0.088 0.000 1.413 71 M HN 0.225 nan 8.290 nan 0.000 0.467 72 I N 1.699 121.971 120.570 -0.496 0.000 2.371 72 I HA 0.216 4.386 4.170 -0.000 0.000 0.290 72 I C 0.127 176.052 176.117 -0.320 0.000 1.028 72 I CA -0.200 60.799 61.300 -0.501 0.000 1.345 72 I CB 0.692 38.061 38.000 -1.051 0.000 1.407 72 I HN 0.537 nan 8.210 nan 0.000 0.501 73 K N 8.452 128.857 120.400 0.007 0.000 2.270 73 K HA 0.693 5.013 4.320 -0.000 0.000 0.255 73 K C -1.114 175.600 176.600 0.189 0.000 0.936 73 K CA -0.765 55.577 56.287 0.091 0.000 0.809 73 K CB 1.884 34.434 32.500 0.084 0.000 1.131 73 K HN 0.694 nan 8.250 nan 0.000 0.427 74 M N 1.332 120.962 119.600 0.051 0.000 2.530 74 M HA 0.529 5.009 4.480 -0.000 0.000 0.307 74 M C -1.595 174.587 176.300 -0.196 0.000 1.161 74 M CA -0.925 54.251 55.300 -0.207 0.000 0.903 74 M CB 2.254 34.514 32.600 -0.567 0.000 1.711 74 M HN 0.116 nan 8.290 nan 0.000 0.451 75 V N 2.450 122.225 119.914 -0.232 0.000 2.447 75 V HA 0.817 4.937 4.120 -0.000 0.000 0.292 75 V C -0.420 175.512 176.094 -0.270 0.000 1.021 75 V CA -0.635 61.553 62.300 -0.186 0.000 0.850 75 V CB 1.324 33.140 31.823 -0.011 0.000 1.005 75 V HN 1.030 nan 8.190 nan 0.000 0.426 76 A N 3.743 126.361 122.820 -0.337 0.000 2.292 76 A HA 0.912 5.232 4.320 -0.000 0.000 0.319 76 A C 0.217 177.713 177.584 -0.148 0.000 1.206 76 A CA -0.328 51.548 52.037 -0.268 0.000 0.835 76 A CB 1.088 19.863 19.000 -0.374 0.000 1.164 76 A HN 0.938 nan 8.150 nan 0.000 0.505 77 T N -1.251 113.289 114.554 -0.024 0.000 2.893 77 T HA 0.734 5.084 4.350 -0.000 0.000 0.293 77 T C -0.858 173.908 174.700 0.110 0.000 1.027 77 T CA -0.786 61.337 62.100 0.038 0.000 0.988 77 T CB 1.398 70.274 68.868 0.014 0.000 1.043 77 T HN 1.965 nan 8.240 nan 0.000 0.461 78 V N 0.906 120.905 119.914 0.142 0.000 2.872 78 V HA 0.635 4.755 4.120 -0.000 0.000 0.257 78 V C -0.573 175.609 176.094 0.146 0.000 1.698 78 V CA 0.137 62.523 62.300 0.144 0.000 0.913 78 V CB 1.449 33.370 31.823 0.162 0.000 1.269 78 V HN 1.565 nan 8.190 nan 0.000 0.463 79 G N 5.938 114.807 108.800 0.115 0.000 2.495 79 G HA2 0.854 4.814 3.960 -0.000 0.000 0.318 79 G HA3 0.854 4.814 3.960 -0.000 0.000 0.318 79 G C -0.958 174.006 174.900 0.107 0.000 1.257 79 G CA -0.375 44.789 45.100 0.106 0.000 0.962 79 G HN 1.549 nan 8.290 nan 0.000 0.483 80 I N -0.501 120.133 120.570 0.108 0.000 2.865 80 I HA 0.698 4.868 4.170 -0.000 0.000 0.302 80 I C -2.415 173.746 176.117 0.072 0.000 1.140 80 I CA -2.729 58.641 61.300 0.116 0.000 1.021 80 I CB 2.624 40.754 38.000 0.216 0.000 1.233 80 I HN 0.305 nan 8.210 nan 0.000 0.427 81 P HA 0.151 nan 4.420 nan 0.000 0.271 81 P C -0.066 177.219 177.300 -0.025 0.000 1.233 81 P CA 0.011 63.111 63.100 -0.000 0.000 0.789 81 P CB 0.822 32.502 31.700 -0.033 0.000 0.951 82 E N 0.091 120.262 120.200 -0.048 0.000 2.338 82 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 82 E C 1.152 177.563 176.600 -0.316 0.000 1.007 82 E CA 0.863 57.224 56.400 -0.066 0.000 0.849 82 E CB -0.416 29.323 29.700 0.064 0.000 0.774 82 E HN 0.619 nan 8.360 nan 0.000 0.506 83 N N 0.091 118.496 118.700 -0.491 0.000 2.313 83 N HA -0.016 4.724 4.740 -0.000 0.000 0.207 83 N C 0.165 175.518 175.510 -0.262 0.000 1.141 83 N CA -0.015 52.605 53.050 -0.716 0.000 0.830 83 N CB 0.640 38.703 38.487 -0.707 0.000 1.008 83 N HN -0.154 nan 8.380 nan 0.000 0.481 84 T N -1.397 113.092 114.554 -0.109 0.000 2.754 84 T HA 0.730 5.080 4.350 -0.000 0.000 0.296 84 T C -1.222 173.522 174.700 0.073 0.000 1.205 84 T CA -0.333 61.789 62.100 0.036 0.000 1.009 84 T CB 1.812 70.742 68.868 0.104 0.000 1.368 84 T HN 0.312 nan 8.240 nan 0.000 0.509 85 G N 0.392 109.267 108.800 0.124 0.000 2.547 85 G HA2 0.645 4.605 3.960 -0.000 0.000 0.291 85 G HA3 0.645 4.605 3.960 -0.000 0.000 0.291 85 G C -2.068 172.779 174.900 -0.087 0.000 1.471 85 G CA -0.333 44.776 45.100 0.014 0.000 0.798 85 G HN 0.994 nan 8.290 nan 0.000 0.504 86 I N -0.470 119.943 120.570 -0.261 0.000 2.800 86 I HA 0.629 4.799 4.170 -0.000 0.000 0.294 86 I C -1.189 174.670 176.117 -0.430 0.000 1.538 86 I CA -0.952 60.069 61.300 -0.465 0.000 1.010 86 I CB 1.952 39.370 38.000 -0.971 0.000 1.381 86 I HN 1.094 nan 8.210 nan 0.000 0.462 87 A N 7.287 129.870 122.820 -0.395 0.000 2.287 87 A HA 0.787 5.107 4.320 -0.000 0.000 0.317 87 A C -1.605 175.710 177.584 -0.449 0.000 1.220 87 A CA -0.384 51.434 52.037 -0.366 0.000 0.835 87 A CB 0.891 19.763 19.000 -0.213 0.000 1.180 87 A HN 0.440 nan 8.150 nan 0.000 0.500 88 L N 1.451 122.287 121.223 -0.645 0.000 2.334 88 L HA 0.867 5.207 4.340 -0.000 0.000 0.272 88 L C 0.403 177.004 176.870 -0.448 0.000 1.020 88 L CA -0.366 54.058 54.840 -0.693 0.000 0.812 88 L CB 1.641 42.957 42.059 -1.237 0.000 1.264 88 L HN 0.845 nan 8.230 nan 0.000 0.439 89 A N 1.114 123.797 122.820 -0.227 0.000 2.398 89 A HA 0.623 4.943 4.320 -0.000 0.000 0.301 89 A C -1.208 176.403 177.584 0.045 0.000 1.041 89 A CA -0.530 51.487 52.037 -0.033 0.000 0.711 89 A CB 1.506 20.430 19.000 -0.127 0.000 1.240 89 A HN 0.713 nan 8.150 nan 0.000 0.420 90 C N 3.179 122.564 119.300 0.143 0.000 2.293 90 C HA 0.820 5.280 4.460 -0.000 0.000 0.323 90 C C 0.304 175.259 174.990 -0.059 0.000 1.240 90 C CA 0.235 59.287 59.018 0.057 0.000 1.497 90 C CB -0.657 27.147 27.740 0.106 0.000 2.171 90 C HN 1.303 nan 8.230 nan 0.000 0.465 91 A N 6.840 129.596 122.820 -0.106 0.000 2.342 91 A HA 0.870 5.190 4.320 -0.000 0.000 0.323 91 A C -0.772 176.692 177.584 -0.199 0.000 1.125 91 A CA -0.511 51.436 52.037 -0.151 0.000 0.785 91 A CB 0.970 19.890 19.000 -0.133 0.000 1.221 91 A HN 0.802 nan 8.150 nan 0.000 0.463 92 M N 2.731 122.173 119.600 -0.263 0.000 2.205 92 M HA 0.401 4.881 4.480 -0.000 0.000 0.344 92 M C -0.536 175.560 176.300 -0.339 0.000 1.085 92 M CA 0.079 55.203 55.300 -0.293 0.000 1.001 92 M CB 1.305 33.635 32.600 -0.450 0.000 1.626 92 M HN 0.709 nan 8.290 nan 0.000 0.442 93 N N 0.968 119.327 118.700 -0.567 0.000 2.235 93 N HA 0.297 5.037 4.740 -0.000 0.000 0.293 93 N C -0.073 174.834 175.510 -1.005 0.000 1.083 93 N CA -0.340 52.369 53.050 -0.569 0.000 0.801 93 N CB 2.031 40.330 38.487 -0.315 0.000 1.559 93 N HN 0.540 nan 8.380 nan 0.000 0.472 94 S N 0.325 115.629 115.700 -0.660 0.000 2.387 94 S HA -0.090 4.380 4.470 -0.000 0.000 0.230 94 S C 0.899 175.313 174.600 -0.310 0.000 1.035 94 S CA 1.286 59.216 58.200 -0.451 0.000 1.014 94 S CB 0.044 63.203 63.200 -0.068 0.000 0.836 94 S HN 0.636 nan 8.310 nan 0.000 0.466 95 S N -1.611 113.937 115.700 -0.253 0.000 2.727 95 S HA 0.753 5.223 4.470 -0.000 0.000 0.278 95 S C -1.912 172.578 174.600 -0.182 0.000 1.186 95 S CA -0.763 57.339 58.200 -0.162 0.000 0.836 95 S CB 1.310 64.445 63.200 -0.108 0.000 1.186 95 S HN 0.267 nan 8.310 nan 0.000 0.499 96 I N 0.854 121.323 120.570 -0.168 0.000 2.787 96 I HA 0.573 4.743 4.170 -0.000 0.000 0.294 96 I C -1.811 174.213 176.117 -0.155 0.000 1.365 96 I CA -0.473 60.694 61.300 -0.222 0.000 1.029 96 I CB 1.720 39.467 38.000 -0.421 0.000 1.313 96 I HN 0.678 nan 8.210 nan 0.000 0.431 97 R N 4.926 125.343 120.500 -0.137 0.000 2.476 97 R HA 0.674 5.014 4.340 -0.000 0.000 0.305 97 R C 0.088 176.333 176.300 -0.093 0.000 0.965 97 R CA 0.086 56.128 56.100 -0.097 0.000 0.867 97 R CB 1.831 32.085 30.300 -0.077 0.000 1.176 97 R HN 1.027 nan 8.270 nan 0.000 0.447 98 G N 2.327 111.080 108.800 -0.077 0.000 2.569 98 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.259 98 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.259 98 G C -0.459 174.396 174.900 -0.075 0.000 1.263 98 G CA -0.516 44.545 45.100 -0.065 0.000 0.928 98 G HN 0.609 nan 8.290 nan 0.000 0.572 99 R N 1.081 121.544 120.500 -0.060 0.000 3.657 99 R HA 0.533 4.873 4.340 -0.000 0.000 0.220 99 R C 0.975 177.235 176.300 -0.067 0.000 1.548 99 R CA 0.317 56.382 56.100 -0.058 0.000 1.465 99 R CB 0.018 30.294 30.300 -0.040 0.000 1.330 99 R HN 0.904 nan 8.270 nan 0.000 0.707 100 A N 1.245 124.007 122.820 -0.097 0.000 2.466 100 A HA 0.042 4.362 4.320 -0.000 0.000 0.238 100 A C 0.573 178.109 177.584 -0.080 0.000 1.074 100 A CA -0.051 51.924 52.037 -0.103 0.000 0.774 100 A CB 0.553 19.458 19.000 -0.159 0.000 1.015 100 A HN 0.484 nan 8.150 nan 0.000 0.498 101 S N 0.389 116.052 115.700 -0.063 0.000 2.572 101 S HA 0.229 4.699 4.470 -0.000 0.000 0.279 101 S C 0.912 175.480 174.600 -0.053 0.000 1.341 101 S CA 0.157 58.331 58.200 -0.044 0.000 1.043 101 S CB 0.395 63.584 63.200 -0.019 0.000 0.887 101 S HN 0.687 nan 8.310 nan 0.000 0.516 102 S N 2.434 118.107 115.700 -0.045 0.000 2.650 102 S HA 0.166 4.636 4.470 -0.000 0.000 0.240 102 S C -0.174 174.382 174.600 -0.072 0.000 1.007 102 S CA -0.505 57.665 58.200 -0.051 0.000 0.984 102 S CB -0.072 63.109 63.200 -0.033 0.000 0.910 102 S HN 0.900 nan 8.310 nan 0.000 0.509 103 D N 1.135 121.500 120.400 -0.060 0.000 2.443 103 D HA 0.070 4.710 4.640 -0.000 0.000 0.239 103 D C 1.406 177.618 176.300 -0.146 0.000 1.136 103 D CA -0.140 53.815 54.000 -0.074 0.000 0.879 103 D CB 0.433 41.231 40.800 -0.004 0.000 1.195 103 D HN -0.029 nan 8.370 nan 0.000 0.443 104 I N 4.532 124.935 120.570 -0.278 0.000 2.236 104 I HA -0.260 3.910 4.170 -0.000 0.000 0.249 104 I C 1.473 177.324 176.117 -0.443 0.000 1.102 104 I CA 1.717 62.718 61.300 -0.500 0.000 1.365 104 I CB -0.729 36.709 38.000 -0.936 0.000 1.051 104 I HN 0.711 nan 8.210 nan 0.000 0.420 105 Y N 0.903 120.984 120.300 -0.366 0.000 2.145 105 Y HA -0.281 4.269 4.550 -0.000 0.000 0.286 105 Y C 2.447 178.306 175.900 -0.069 0.000 1.145 105 Y CA 2.627 60.670 58.100 -0.095 0.000 1.148 105 Y CB -0.932 37.562 38.460 0.057 0.000 0.981 105 Y HN 0.224 nan 8.280 nan 0.000 0.507 106 T N 1.787 116.258 114.554 -0.138 0.000 2.777 106 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 106 T C 1.886 176.438 174.700 -0.246 0.000 1.040 106 T CA 1.938 63.917 62.100 -0.201 0.000 1.141 106 T CB -0.650 68.205 68.868 -0.021 0.000 0.868 106 T HN 0.656 nan 8.240 nan 0.000 0.444 107 I N 0.395 120.843 120.570 -0.203 0.000 3.059 107 I HA 0.087 4.257 4.170 -0.000 0.000 0.270 107 I C 2.270 178.271 176.117 -0.193 0.000 1.238 107 I CA 0.449 61.640 61.300 -0.182 0.000 1.478 107 I CB -0.676 37.239 38.000 -0.140 0.000 1.097 107 I HN 0.317 nan 8.210 nan 0.000 0.455 108 C N 0.473 119.643 119.300 -0.218 0.000 2.673 108 C HA 0.360 4.820 4.460 -0.000 0.000 0.274 108 C C 2.660 177.572 174.990 -0.130 0.000 1.276 108 C CA -0.023 58.899 59.018 -0.161 0.000 1.701 108 C CB -1.828 25.832 27.740 -0.133 0.000 1.836 108 C HN 0.630 nan 8.230 nan 0.000 0.596 109 S N -0.160 115.436 115.700 -0.174 0.000 2.470 109 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 109 S C 1.789 176.329 174.600 -0.100 0.000 1.006 109 S CA 0.992 59.104 58.200 -0.146 0.000 0.934 109 S CB -0.370 62.707 63.200 -0.206 0.000 0.778 109 S HN 0.823 nan 8.310 nan 0.000 0.517 110 Q N 0.989 120.727 119.800 -0.102 0.000 2.080 110 Q HA 0.151 4.491 4.340 -0.000 0.000 0.195 110 Q C -0.629 175.352 176.000 -0.032 0.000 0.989 110 Q CA 0.733 56.502 55.803 -0.056 0.000 0.838 110 Q CB 0.484 29.175 28.738 -0.078 0.000 0.915 110 Q HN 0.373 nan 8.270 nan 0.000 0.482 111 D N 0.081 120.437 120.400 -0.073 0.000 2.386 111 D HA 0.264 4.904 4.640 -0.000 0.000 0.247 111 D C -1.752 174.467 176.300 -0.136 0.000 1.336 111 D CA -0.059 53.894 54.000 -0.078 0.000 0.976 111 D CB 1.489 42.235 40.800 -0.090 0.000 1.257 111 D HN 0.213 nan 8.370 nan 0.000 0.570 112 C N 2.833 122.084 119.300 -0.081 0.000 2.701 112 C HA 0.549 5.009 4.460 -0.000 0.000 0.336 112 C C -1.102 173.878 174.990 -0.016 0.000 1.123 112 C CA -0.433 58.540 59.018 -0.075 0.000 1.326 112 C CB 1.517 29.207 27.740 -0.083 0.000 1.833 112 C HN 0.549 nan 8.230 nan 0.000 0.473 113 E N 3.386 123.589 120.200 0.005 0.000 2.187 113 E HA 0.641 4.991 4.350 -0.000 0.000 0.268 113 E C -1.504 175.206 176.600 0.183 0.000 0.896 113 E CA -0.336 56.102 56.400 0.064 0.000 0.766 113 E CB 1.621 31.318 29.700 -0.006 0.000 1.142 113 E HN 0.814 nan 8.360 nan 0.000 0.408 114 L N 5.970 127.313 121.223 0.200 0.000 2.313 114 L HA 0.722 5.062 4.340 -0.000 0.000 0.283 114 L C -1.446 175.622 176.870 0.330 0.000 1.013 114 L CA -0.683 54.287 54.840 0.216 0.000 0.816 114 L CB 0.469 42.612 42.059 0.141 0.000 1.236 114 L HN 0.760 nan 8.230 nan 0.000 0.419 115 W N 5.339 126.615 121.300 -0.041 0.000 3.083 115 W HA 0.481 5.141 4.660 -0.000 0.000 0.333 115 W C -1.684 174.799 176.519 -0.059 0.000 1.217 115 W CA -0.899 56.424 57.345 -0.037 0.000 1.170 115 W CB 0.949 30.388 29.460 -0.035 0.000 1.437 115 W HN 0.344 nan 8.180 nan 0.000 0.557 116 N N 3.042 121.722 118.700 -0.033 0.000 2.518 116 N HA 0.367 5.107 4.740 -0.000 0.000 0.254 116 N C -1.989 173.497 175.510 -0.041 0.000 0.979 116 N CA -2.500 50.453 53.050 -0.161 0.000 0.930 116 N CB 2.040 40.479 38.487 -0.080 0.000 1.152 116 N HN 0.161 nan 8.380 nan 0.000 0.505 117 P HA -0.092 nan 4.420 nan 0.000 0.222 117 P C 0.706 178.052 177.300 0.077 0.000 1.142 117 P CA 0.964 64.100 63.100 0.061 0.000 0.788 117 P CB 0.329 32.024 31.700 -0.007 0.000 0.767 118 A N -2.016 120.825 122.820 0.035 0.000 2.066 118 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 118 A C 2.053 179.681 177.584 0.073 0.000 1.157 118 A CA 1.371 53.440 52.037 0.054 0.000 0.670 118 A CB -1.280 17.741 19.000 0.036 0.000 0.804 118 A HN 0.246 nan 8.150 nan 0.000 0.453 119 C N -2.378 116.971 119.300 0.082 0.000 2.464 119 C HA 0.229 4.689 4.460 -0.000 0.000 0.348 119 C C 0.876 175.936 174.990 0.116 0.000 1.367 119 C CA 0.449 59.526 59.018 0.098 0.000 2.012 119 C CB -0.205 27.592 27.740 0.095 0.000 2.434 119 C HN 0.400 nan 8.230 nan 0.000 0.536 120 T N 2.243 116.891 114.554 0.156 0.000 2.842 120 T HA 0.181 4.531 4.350 -0.000 0.000 0.308 120 T C 0.719 175.540 174.700 0.202 0.000 1.041 120 T CA -0.279 61.923 62.100 0.171 0.000 0.964 120 T CB 0.728 69.726 68.868 0.217 0.000 0.972 120 T HN 0.541 nan 8.240 nan 0.000 0.460 121 K N 1.353 121.827 120.400 0.123 0.000 2.444 121 K HA 0.540 4.860 4.320 -0.000 0.000 0.193 121 K C 0.452 177.097 176.600 0.076 0.000 1.024 121 K CA -0.299 56.058 56.287 0.118 0.000 1.077 121 K CB 0.550 33.101 32.500 0.085 0.000 0.833 121 K HN 0.427 nan 8.250 nan 0.000 0.517 122 A N 1.792 124.616 122.820 0.008 0.000 2.480 122 A HA 0.490 4.810 4.320 -0.000 0.000 0.289 122 A C -1.363 176.096 177.584 -0.210 0.000 1.044 122 A CA -0.853 51.133 52.037 -0.085 0.000 0.761 122 A CB 1.532 20.497 19.000 -0.058 0.000 1.289 122 A HN 0.203 nan 8.150 nan 0.000 0.401 123 M N 2.394 121.738 119.600 -0.426 0.000 2.456 123 M HA 0.671 5.151 4.480 -0.000 0.000 0.324 123 M C -1.219 174.815 176.300 -0.444 0.000 1.124 123 M CA 0.201 55.151 55.300 -0.584 0.000 0.959 123 M CB 1.697 33.491 32.600 -1.342 0.000 1.692 123 M HN 0.693 nan 8.290 nan 0.000 0.444 124 T N 5.219 119.591 114.554 -0.304 0.000 2.924 124 T HA 0.783 5.133 4.350 -0.000 0.000 0.291 124 T C -0.853 173.748 174.700 -0.164 0.000 1.045 124 T CA -0.704 61.270 62.100 -0.210 0.000 1.015 124 T CB 2.061 70.847 68.868 -0.136 0.000 1.103 124 T HN 0.803 nan 8.240 nan 0.000 0.496 125 M N 1.686 121.228 119.600 -0.096 0.000 2.333 125 M HA 0.439 4.919 4.480 -0.000 0.000 0.286 125 M C -1.851 174.508 176.300 0.099 0.000 1.113 125 M CA -0.364 54.932 55.300 -0.006 0.000 0.959 125 M CB 1.854 34.438 32.600 -0.026 0.000 1.776 125 M HN 0.648 nan 8.290 nan 0.000 0.492 126 S N 4.108 119.882 115.700 0.122 0.000 2.526 126 S HA 0.933 5.402 4.470 -0.000 0.000 0.293 126 S C -1.320 173.387 174.600 0.178 0.000 1.092 126 S CA -0.562 57.687 58.200 0.081 0.000 0.980 126 S CB 1.498 64.698 63.200 0.001 0.000 1.048 126 S HN 0.563 nan 8.310 nan 0.000 0.483 127 F N -0.326 119.604 119.950 -0.033 0.000 2.686 127 F HA 0.581 5.108 4.527 -0.000 0.000 0.311 127 F C -0.966 174.781 175.800 -0.089 0.000 1.128 127 F CA -1.168 56.810 58.000 -0.038 0.000 0.946 127 F CB 1.264 40.257 39.000 -0.012 0.000 1.336 127 F HN 0.524 nan 8.300 nan 0.000 0.457 128 N N 1.893 120.622 118.700 0.048 0.000 2.469 128 N HA 0.397 5.137 4.740 -0.000 0.000 0.253 128 N C -2.271 173.266 175.510 0.046 0.000 0.970 128 N CA -1.937 51.084 53.050 -0.048 0.000 0.940 128 N CB 1.866 40.378 38.487 0.041 0.000 1.128 128 N HN 0.338 nan 8.380 nan 0.000 0.503 129 P HA -0.041 nan 4.420 nan 0.000 0.226 129 P C -0.582 176.834 177.300 0.193 0.000 1.153 129 P CA 0.961 63.897 63.100 -0.273 0.000 0.777 129 P CB 0.114 31.320 31.700 -0.824 0.000 0.794 130 N N -0.563 118.233 118.700 0.159 0.000 2.851 130 N HA 0.170 4.910 4.740 -0.000 0.000 0.248 130 N C -2.055 173.550 175.510 0.158 0.000 1.221 130 N CA -1.991 51.184 53.050 0.209 0.000 0.847 130 N CB 1.015 39.476 38.487 -0.043 0.000 1.150 130 N HN -0.150 nan 8.380 nan 0.000 0.507 131 P HA -0.036 nan 4.420 nan 0.000 0.223 131 P C 0.712 178.079 177.300 0.113 0.000 1.144 131 P CA 0.727 63.916 63.100 0.148 0.000 0.783 131 P CB 0.177 31.981 31.700 0.173 0.000 0.771 132 C N -2.321 117.050 119.300 0.118 0.000 2.468 132 C HA 0.207 4.667 4.460 -0.000 0.000 0.277 132 C C 1.704 176.725 174.990 0.052 0.000 1.400 132 C CA 0.550 59.621 59.018 0.088 0.000 1.770 132 C CB -1.200 26.601 27.740 0.102 0.000 1.905 132 C HN 0.250 nan 8.230 nan 0.000 0.519 133 S N 0.041 115.763 115.700 0.037 0.000 3.359 133 S HA 0.334 4.804 4.470 -0.000 0.000 0.323 133 S C -1.036 173.570 174.600 0.010 0.000 1.143 133 S CA 0.102 58.307 58.200 0.009 0.000 0.989 133 S CB 0.782 63.970 63.200 -0.021 0.000 1.375 133 S HN 0.434 nan 8.310 nan 0.000 0.728 134 D N 0.401 120.797 120.400 -0.006 0.000 2.599 134 D HA 0.597 5.236 4.640 -0.000 0.000 0.249 134 D C -0.329 175.970 176.300 -0.001 0.000 1.313 134 D CA -0.055 53.948 54.000 0.005 0.000 0.815 134 D CB 0.457 41.255 40.800 -0.005 0.000 1.077 134 D HN 0.566 nan 8.370 nan 0.000 0.492 135 A N 0.253 123.059 122.820 -0.023 0.000 2.606 135 A HA 0.711 5.031 4.320 -0.000 0.000 0.293 135 A C -1.533 176.004 177.584 -0.078 0.000 1.082 135 A CA -1.102 50.889 52.037 -0.076 0.000 0.685 135 A CB 1.818 20.730 19.000 -0.148 0.000 1.284 135 A HN 0.265 nan 8.150 nan 0.000 0.408 136 W N -0.314 120.846 121.300 -0.232 0.000 3.060 136 W HA 0.878 5.538 4.660 -0.000 0.000 0.346 136 W C -0.732 175.697 176.519 -0.150 0.000 1.194 136 W CA -0.854 56.312 57.345 -0.300 0.000 1.105 136 W CB 1.070 30.411 29.460 -0.199 0.000 1.487 136 W HN 0.916 nan 8.180 nan 0.000 0.592 137 S N 0.032 115.823 115.700 0.152 0.000 2.618 137 S HA 0.394 4.864 4.470 -0.000 0.000 0.277 137 S C -0.068 174.742 174.600 0.350 0.000 1.138 137 S CA -0.508 57.729 58.200 0.061 0.000 0.844 137 S CB 1.974 65.269 63.200 0.157 0.000 1.127 137 S HN 0.489 nan 8.310 nan 0.000 0.474 138 L N 2.265 123.611 121.223 0.205 0.000 2.131 138 L HA 0.279 4.619 4.340 -0.000 0.000 0.206 138 L C 2.084 179.076 176.870 0.202 0.000 1.087 138 L CA 1.806 56.796 54.840 0.250 0.000 0.767 138 L CB -0.581 41.563 42.059 0.142 0.000 0.917 138 L HN 0.689 nan 8.230 nan 0.000 0.441 139 E N -0.503 119.801 120.200 0.173 0.000 2.085 139 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 139 E C 2.116 178.830 176.600 0.190 0.000 0.994 139 E CA 1.633 58.125 56.400 0.153 0.000 0.801 139 E CB -0.506 29.282 29.700 0.147 0.000 0.743 139 E HN 0.562 nan 8.360 nan 0.000 0.453 140 F N 1.055 121.071 119.950 0.111 0.000 2.126 140 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 140 F C 2.074 177.957 175.800 0.137 0.000 1.096 140 F CA 0.978 59.052 58.000 0.122 0.000 1.255 140 F CB -0.179 38.908 39.000 0.144 0.000 0.997 140 F HN -0.004 nan 8.300 nan 0.000 0.479 141 L N 0.768 122.128 121.223 0.228 0.000 2.083 141 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 141 L C 2.308 179.203 176.870 0.042 0.000 1.083 141 L CA 1.774 56.675 54.840 0.101 0.000 0.752 141 L CB -1.069 41.073 42.059 0.138 0.000 0.899 141 L HN 0.124 nan 8.230 nan 0.000 0.433 142 K N -0.981 119.452 120.400 0.054 0.000 2.031 142 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 142 K C 2.041 178.643 176.600 0.003 0.000 1.049 142 K CA 1.083 57.391 56.287 0.036 0.000 0.939 142 K CB -0.141 32.385 32.500 0.044 0.000 0.717 142 K HN 0.231 nan 8.250 nan 0.000 0.438 143 R N -0.052 120.438 120.500 -0.016 0.000 2.276 143 R HA 0.001 4.341 4.340 -0.000 0.000 0.203 143 R C 1.811 178.060 176.300 -0.085 0.000 1.017 143 R CA 0.856 56.936 56.100 -0.033 0.000 1.010 143 R CB 0.019 30.317 30.300 -0.004 0.000 0.900 143 R HN 0.103 nan 8.270 nan 0.000 0.469 144 T N -1.005 113.447 114.554 -0.170 0.000 3.044 144 T HA 0.109 4.459 4.350 -0.000 0.000 0.255 144 T C 1.067 175.704 174.700 -0.106 0.000 1.073 144 T CA 1.083 63.044 62.100 -0.231 0.000 1.125 144 T CB 0.300 68.801 68.868 -0.612 0.000 0.908 144 T HN 0.541 nan 8.240 nan 0.000 0.480 145 G N 1.222 109.998 108.800 -0.039 0.000 2.132 145 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.228 145 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.228 145 G C 0.034 174.980 174.900 0.076 0.000 1.000 145 G CA -0.252 44.860 45.100 0.021 0.000 0.693 145 G HN 0.508 nan 8.290 nan 0.000 0.515 146 F N 2.651 122.580 119.950 -0.035 0.000 2.612 146 F HA 0.360 4.887 4.527 -0.000 0.000 0.389 146 F C 1.041 176.878 175.800 0.061 0.000 1.055 146 F CA 0.357 58.361 58.000 0.006 0.000 1.232 146 F CB 0.374 39.374 39.000 -0.000 0.000 1.044 146 F HN 0.297 nan 8.300 nan 0.000 0.560 147 H N 5.134 124.041 119.070 -0.271 0.000 2.573 147 H HA 0.461 5.017 4.556 -0.000 0.000 0.351 147 H C -1.093 174.180 175.328 -0.093 0.000 1.163 147 H CA -0.772 55.208 56.048 -0.113 0.000 1.205 147 H CB 1.872 31.535 29.762 -0.164 0.000 1.605 147 H HN 0.735 nan 8.280 nan 0.000 0.525 148 C N 4.916 123.946 119.300 -0.451 0.000 2.481 148 C HA 0.360 4.819 4.460 -0.000 0.000 0.324 148 C C -1.346 173.507 174.990 -0.228 0.000 1.170 148 C CA -0.592 58.253 59.018 -0.289 0.000 1.361 148 C CB 0.359 27.857 27.740 -0.403 0.000 1.977 148 C HN 0.750 nan 8.230 nan 0.000 0.459 149 D N 5.010 125.351 120.400 -0.097 0.000 2.505 149 D HA 0.511 5.151 4.640 -0.000 0.000 0.249 149 D C -0.756 175.535 176.300 -0.015 0.000 1.082 149 D CA -0.009 53.994 54.000 0.004 0.000 0.839 149 D CB 2.073 42.894 40.800 0.036 0.000 1.317 149 D HN 0.550 nan 8.370 nan 0.000 0.497 150 I N 3.593 124.186 120.570 0.038 0.000 2.411 150 I HA 0.363 4.533 4.170 -0.000 0.000 0.284 150 I C 0.034 176.149 176.117 -0.003 0.000 1.012 150 I CA -0.709 60.609 61.300 0.030 0.000 1.119 150 I CB 1.166 39.226 38.000 0.100 0.000 1.261 150 I HN 0.238 nan 8.210 nan 0.000 0.448 151 I N 3.242 123.775 120.570 -0.061 0.000 2.892 151 I HA 0.616 4.786 4.170 -0.000 0.000 0.306 151 I C -0.576 175.443 176.117 -0.162 0.000 1.078 151 I CA -0.690 60.553 61.300 -0.095 0.000 1.032 151 I CB 2.139 40.077 38.000 -0.104 0.000 1.229 151 I HN 0.553 nan 8.210 nan 0.000 0.435 152 C N 4.707 123.904 119.300 -0.171 0.000 2.265 152 C HA 0.545 5.005 4.460 -0.000 0.000 0.332 152 C C 1.402 176.266 174.990 -0.209 0.000 1.248 152 C CA -0.187 58.690 59.018 -0.235 0.000 1.727 152 C CB 0.143 27.744 27.740 -0.231 0.000 2.348 152 C HN 0.714 nan 8.230 nan 0.000 0.519 153 V N 4.791 124.566 119.914 -0.231 0.000 2.649 153 V HA 0.130 4.250 4.120 -0.000 0.000 0.248 153 V C 1.292 177.299 176.094 -0.145 0.000 1.054 153 V CA 1.479 63.661 62.300 -0.196 0.000 1.073 153 V CB -0.320 31.374 31.823 -0.216 0.000 0.699 153 V HN 0.943 nan 8.190 nan 0.000 0.463 154 T N -0.279 114.170 114.554 -0.175 0.000 2.916 154 T HA 0.600 4.950 4.350 -0.000 0.000 0.298 154 T C 0.224 174.799 174.700 -0.209 0.000 1.031 154 T CA -0.042 61.970 62.100 -0.146 0.000 0.993 154 T CB 1.740 70.533 68.868 -0.124 0.000 1.045 154 T HN 0.358 nan 8.240 nan 0.000 0.454 155 G N 0.820 109.528 108.800 -0.153 0.000 2.553 155 G HA2 0.426 4.386 3.960 -0.000 0.000 0.278 155 G HA3 0.426 4.386 3.960 -0.000 0.000 0.278 155 G C -0.668 174.131 174.900 -0.167 0.000 1.349 155 G CA -0.788 44.206 45.100 -0.177 0.000 1.037 155 G HN 0.698 nan 8.290 nan 0.000 0.508 156 W N -0.663 120.603 121.300 -0.056 0.000 2.223 156 W HA 0.302 4.962 4.660 -0.000 0.000 0.334 156 W C 1.728 178.223 176.519 -0.041 0.000 1.334 156 W CA -0.050 57.263 57.345 -0.053 0.000 1.246 156 W CB 0.489 29.921 29.460 -0.046 0.000 1.184 156 W HN 0.418 nan 8.180 nan 0.000 0.563 157 T N 2.244 116.923 114.554 0.209 0.000 2.812 157 T HA 0.059 4.409 4.350 -0.000 0.000 0.264 157 T C 0.511 175.284 174.700 0.121 0.000 1.042 157 T CA 1.394 63.568 62.100 0.122 0.000 1.140 157 T CB -0.050 68.871 68.868 0.088 0.000 0.870 157 T HN 0.462 nan 8.240 nan 0.000 0.445 158 A N 1.591 124.492 122.820 0.136 0.000 2.398 158 A HA 0.599 4.919 4.320 -0.000 0.000 0.301 158 A C 0.119 177.697 177.584 -0.010 0.000 1.041 158 A CA -0.902 51.164 52.037 0.047 0.000 0.711 158 A CB 1.002 20.003 19.000 0.002 0.000 1.240 158 A HN 0.251 nan 8.150 nan 0.000 0.420 159 T N 1.243 115.727 114.554 -0.117 0.000 2.907 159 T HA 0.588 4.938 4.350 -0.000 0.000 0.298 159 T C -2.146 172.274 174.700 -0.466 0.000 1.017 159 T CA -1.066 60.800 62.100 -0.389 0.000 1.118 159 T CB 0.309 68.997 68.868 -0.300 0.000 0.948 159 T HN 0.381 nan 8.240 nan 0.000 0.531 160 P HA 0.276 nan 4.420 nan 0.000 0.274 160 P C 0.890 177.990 177.300 -0.334 0.000 1.260 160 P CA -0.786 61.993 63.100 -0.534 0.000 0.793 160 P CB 0.403 31.686 31.700 -0.695 0.000 1.048 161 M N -0.848 118.619 119.600 -0.221 0.000 2.132 161 M HA -0.059 4.421 4.480 -0.000 0.000 0.263 161 M C 0.864 177.082 176.300 -0.137 0.000 1.065 161 M CA 2.177 57.389 55.300 -0.147 0.000 1.122 161 M CB -0.569 31.970 32.600 -0.102 0.000 1.365 161 M HN 0.360 nan 8.290 nan 0.000 0.411 162 Q N -1.029 118.684 119.800 -0.145 0.000 2.892 162 Q HA 0.320 4.660 4.340 -0.000 0.000 0.307 162 Q C -1.297 174.632 176.000 -0.119 0.000 1.039 162 Q CA -0.708 55.032 55.803 -0.106 0.000 0.792 162 Q CB 1.270 29.969 28.738 -0.065 0.000 1.504 162 Q HN 0.016 nan 8.270 nan 0.000 0.487 163 D N -0.155 120.209 120.400 -0.060 0.000 2.341 163 D HA 0.293 4.933 4.640 -0.000 0.000 0.245 163 D C -0.578 175.731 176.300 0.015 0.000 1.106 163 D CA 0.098 54.086 54.000 -0.020 0.000 0.905 163 D CB 0.997 41.804 40.800 0.011 0.000 1.202 163 D HN 0.169 nan 8.370 nan 0.000 0.426 164 V N 1.228 121.191 119.914 0.083 0.000 3.093 164 V HA 0.478 4.598 4.120 -0.000 0.000 0.320 164 V C -0.063 176.105 176.094 0.123 0.000 1.093 164 V CA -0.702 61.675 62.300 0.128 0.000 1.016 164 V CB 1.863 33.847 31.823 0.270 0.000 1.096 164 V HN 0.484 nan 8.190 nan 0.000 0.452 165 Q N 0.566 120.434 119.800 0.113 0.000 2.309 165 Q HA 0.623 4.963 4.340 -0.000 0.000 0.273 165 Q C -2.268 173.795 176.000 0.104 0.000 1.040 165 Q CA -0.464 55.399 55.803 0.099 0.000 0.834 165 Q CB 2.443 31.228 28.738 0.079 0.000 1.345 165 Q HN 0.530 nan 8.270 nan 0.000 0.414 166 V N 2.984 122.962 119.914 0.107 0.000 2.398 166 V HA 0.483 4.603 4.120 -0.000 0.000 0.286 166 V C -0.316 175.836 176.094 0.097 0.000 1.026 166 V CA -0.408 61.964 62.300 0.120 0.000 0.868 166 V CB 1.650 33.565 31.823 0.154 0.000 0.982 166 V HN 0.857 nan 8.190 nan 0.000 0.443 167 T N 6.502 121.097 114.554 0.068 0.000 2.771 167 T HA 0.648 4.998 4.350 -0.000 0.000 0.281 167 T C -0.231 174.444 174.700 -0.041 0.000 0.982 167 T CA -0.109 62.011 62.100 0.032 0.000 0.978 167 T CB 0.810 69.695 68.868 0.027 0.000 0.930 167 T HN 0.398 nan 8.240 nan 0.000 0.447 168 I N 3.132 123.646 120.570 -0.093 0.000 2.362 168 I HA 0.325 4.494 4.170 -0.000 0.000 0.289 168 I C -0.387 175.467 176.117 -0.439 0.000 0.994 168 I CA -0.868 60.238 61.300 -0.323 0.000 1.158 168 I CB 1.517 39.238 38.000 -0.465 0.000 1.315 168 I HN 0.439 nan 8.210 nan 0.000 0.451 169 D N 5.692 125.806 120.400 -0.476 0.000 2.198 169 D HA 0.303 4.943 4.640 -0.000 0.000 0.245 169 D C -1.136 174.727 176.300 -0.729 0.000 1.079 169 D CA -0.051 53.622 54.000 -0.544 0.000 0.854 169 D CB 1.530 42.085 40.800 -0.409 0.000 1.148 169 D HN 0.247 nan 8.370 nan 0.000 0.456 170 W N 2.212 123.138 121.300 -0.622 0.000 2.573 170 W HA 0.516 5.176 4.660 -0.000 0.000 0.326 170 W C -0.397 175.703 176.519 -0.699 0.000 1.049 170 W CA -0.726 56.354 57.345 -0.443 0.000 1.220 170 W CB 0.929 30.263 29.460 -0.210 0.000 1.373 170 W HN 0.172 nan 8.180 nan 0.000 0.507 171 F N 2.033 122.081 119.950 0.164 0.000 2.613 171 F HA 0.575 5.102 4.527 -0.000 0.000 0.314 171 F C -0.187 175.670 175.800 0.094 0.000 1.075 171 F CA -1.314 56.738 58.000 0.087 0.000 0.945 171 F CB 1.197 40.209 39.000 0.019 0.000 1.310 171 F HN -0.053 nan 8.300 nan 0.000 0.467 172 I N 1.539 122.293 120.570 0.306 0.000 2.304 172 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 172 I C 0.227 176.444 176.117 0.166 0.000 1.018 172 I CA -0.225 61.215 61.300 0.232 0.000 1.260 172 I CB 1.371 39.483 38.000 0.186 0.000 1.390 172 I HN 0.555 nan 8.210 nan 0.000 0.475 173 S N 3.385 119.154 115.700 0.114 0.000 2.614 173 S HA 0.131 4.601 4.470 -0.000 0.000 0.265 173 S C 1.241 175.857 174.600 0.027 0.000 1.303 173 S CA -0.220 58.005 58.200 0.042 0.000 1.000 173 S CB 1.042 64.247 63.200 0.008 0.000 0.935 173 S HN 0.722 nan 8.310 nan 0.000 0.551 174 S N 1.416 117.114 115.700 -0.004 0.000 2.548 174 S HA 0.147 4.617 4.470 -0.000 0.000 0.215 174 S C 0.551 175.147 174.600 -0.008 0.000 0.976 174 S CA -0.170 58.025 58.200 -0.008 0.000 0.908 174 S CB -0.243 62.944 63.200 -0.021 0.000 0.781 174 S HN 0.738 nan 8.310 nan 0.000 0.519 175 Q N 2.314 122.109 119.800 -0.008 0.000 2.296 175 Q HA 0.154 4.494 4.340 -0.000 0.000 0.262 175 Q C -0.357 175.646 176.000 0.005 0.000 0.981 175 Q CA -0.101 55.697 55.803 -0.007 0.000 0.905 175 Q CB 0.515 29.246 28.738 -0.013 0.000 1.186 175 Q HN 0.337 nan 8.270 nan 0.000 0.399 176 E N 1.897 122.099 120.200 0.002 0.000 2.390 176 E HA 0.040 4.390 4.350 -0.000 0.000 0.261 176 E C -0.482 176.129 176.600 0.018 0.000 1.076 176 E CA -0.123 56.283 56.400 0.009 0.000 0.905 176 E CB 0.757 30.456 29.700 -0.001 0.000 0.984 176 E HN 0.628 nan 8.360 nan 0.000 0.427 177 C N 1.743 121.064 119.300 0.034 0.000 2.601 177 C HA 0.341 4.801 4.460 -0.000 0.000 0.409 177 C C 0.415 175.421 174.990 0.027 0.000 1.293 177 C CA -0.528 58.516 59.018 0.043 0.000 2.101 177 C CB 0.069 27.861 27.740 0.087 0.000 2.639 177 C HN 0.326 nan 8.230 nan 0.000 0.592 178 V N 5.951 125.881 119.914 0.025 0.000 2.709 178 V HA 0.454 4.574 4.120 -0.000 0.000 0.308 178 V C -1.968 174.141 176.094 0.025 0.000 1.062 178 V CA -1.167 61.144 62.300 0.017 0.000 0.901 178 V CB 2.165 33.993 31.823 0.008 0.000 1.003 178 V HN 0.764 nan 8.190 nan 0.000 0.425 179 P HA 0.304 nan 4.420 nan 0.000 0.272 179 P C -0.978 176.329 177.300 0.012 0.000 1.230 179 P CA -0.544 62.573 63.100 0.028 0.000 0.788 179 P CB 1.033 32.746 31.700 0.023 0.000 0.949 180 R N 0.822 121.336 120.500 0.023 0.000 2.625 180 R HA 0.401 4.740 4.340 -0.000 0.000 0.286 180 R C -0.721 175.584 176.300 0.008 0.000 1.406 180 R CA -0.253 55.833 56.100 -0.023 0.000 1.052 180 R CB 0.332 30.629 30.300 -0.005 0.000 1.203 180 R HN 0.609 nan 8.270 nan 0.000 0.502 181 T N -0.326 114.206 114.554 -0.037 0.000 2.932 181 T HA 0.503 4.853 4.350 -0.000 0.000 0.289 181 T C -0.825 173.850 174.700 -0.041 0.000 1.039 181 T CA -0.598 61.538 62.100 0.060 0.000 1.024 181 T CB 1.300 70.209 68.868 0.068 0.000 1.090 181 T HN 0.276 nan 8.240 nan 0.000 0.496 182 Y N 0.039 120.365 120.300 0.044 0.000 2.328 182 Y HA 0.513 5.063 4.550 -0.000 0.000 0.336 182 Y C 0.335 176.298 175.900 0.104 0.000 0.960 182 Y CA -1.262 56.889 58.100 0.084 0.000 1.134 182 Y CB 1.411 39.924 38.460 0.087 0.000 1.166 182 Y HN 0.964 nan 8.280 nan 0.000 0.464 183 C N 5.771 125.210 119.300 0.232 0.000 2.227 183 C HA 0.312 4.772 4.460 -0.000 0.000 0.333 183 C C 1.676 176.815 174.990 0.249 0.000 1.145 183 C CA -0.413 58.715 59.018 0.183 0.000 1.643 183 C CB -1.497 26.311 27.740 0.114 0.000 2.185 183 C HN 0.925 nan 8.230 nan 0.000 0.497 184 V N 5.961 126.016 119.914 0.236 0.000 2.250 184 V HA -0.220 3.900 4.120 -0.000 0.000 0.253 184 V C 1.850 178.163 176.094 0.366 0.000 1.065 184 V CA 1.805 64.269 62.300 0.275 0.000 1.039 184 V CB -0.543 31.372 31.823 0.154 0.000 0.647 184 V HN 0.780 nan 8.190 nan 0.000 0.446 185 L N 0.195 121.555 121.223 0.228 0.000 2.688 185 L HA 0.291 4.631 4.340 -0.000 0.000 0.234 185 L C 0.265 177.164 176.870 0.048 0.000 1.192 185 L CA 0.799 55.739 54.840 0.168 0.000 0.984 185 L CB -1.280 40.843 42.059 0.107 0.000 1.232 185 L HN 0.394 nan 8.230 nan 0.000 0.465 186 N N -0.787 117.956 118.700 0.072 0.000 2.732 186 N HA 0.196 4.936 4.740 -0.000 0.000 0.230 186 N C -2.616 172.920 175.510 0.043 0.000 1.487 186 N CA -0.725 52.327 53.050 0.004 0.000 0.765 186 N CB 1.158 39.658 38.487 0.022 0.000 1.384 186 N HN -0.105 nan 8.380 nan 0.000 0.530 187 P HA -0.040 nan 4.420 nan 0.000 0.266 187 P C -0.229 177.123 177.300 0.087 0.000 1.193 187 P CA 0.193 63.378 63.100 0.142 0.000 0.770 187 P CB 0.759 32.408 31.700 -0.086 0.000 0.836 188 Q N 1.198 121.088 119.800 0.150 0.000 2.237 188 Q HA 0.340 4.680 4.340 -0.000 0.000 0.219 188 Q C -0.208 175.841 176.000 0.081 0.000 0.999 188 Q CA -0.504 55.334 55.803 0.059 0.000 0.959 188 Q CB 0.667 29.402 28.738 -0.005 0.000 1.173 188 Q HN 0.325 nan 8.270 nan 0.000 0.527 189 N N 1.256 119.977 118.700 0.036 0.000 2.461 189 N HA 0.371 5.111 4.740 -0.000 0.000 0.284 189 N C -2.621 172.904 175.510 0.024 0.000 1.049 189 N CA -1.470 51.606 53.050 0.043 0.000 0.889 189 N CB 1.244 39.743 38.487 0.020 0.000 1.365 189 N HN 0.334 nan 8.380 nan 0.000 0.499 190 P HA 0.286 nan 4.420 nan 0.000 0.276 190 P C -1.024 176.337 177.300 0.101 0.000 1.252 190 P CA -0.404 62.738 63.100 0.071 0.000 0.802 190 P CB 0.757 32.486 31.700 0.049 0.000 1.035 191 F N 1.421 121.387 119.950 0.027 0.000 2.411 191 F HA 0.263 4.790 4.527 -0.000 0.000 0.355 191 F C -0.315 175.532 175.800 0.078 0.000 1.117 191 F CA -0.694 57.345 58.000 0.064 0.000 1.139 191 F CB 0.796 39.876 39.000 0.134 0.000 1.120 191 F HN -0.032 nan 8.300 nan 0.000 0.493 192 V N 8.969 128.596 119.914 -0.480 0.000 2.389 192 V HA 0.045 4.165 4.120 -0.000 0.000 0.264 192 V C 0.513 176.409 176.094 -0.330 0.000 1.049 192 V CA -0.048 62.088 62.300 -0.274 0.000 0.932 192 V CB 0.751 32.467 31.823 -0.179 0.000 1.011 192 V HN 0.914 nan 8.190 nan 0.000 0.475 193 L N 4.452 125.614 121.223 -0.102 0.000 2.349 193 L HA 0.389 4.729 4.340 -0.000 0.000 0.200 193 L C 1.189 178.055 176.870 -0.005 0.000 1.064 193 L CA 1.043 55.885 54.840 0.003 0.000 0.821 193 L CB -0.165 42.006 42.059 0.187 0.000 1.027 193 L HN 0.772 nan 8.230 nan 0.000 0.476 194 N N 1.515 120.224 118.700 0.014 0.000 2.714 194 N HA -0.247 4.493 4.740 -0.000 0.000 0.253 194 N C -0.201 175.334 175.510 0.041 0.000 1.024 194 N CA 0.880 53.946 53.050 0.026 0.000 0.726 194 N CB -1.203 37.279 38.487 -0.008 0.000 0.908 194 N HN 0.458 nan 8.380 nan 0.000 0.542 195 R N 0.246 120.801 120.500 0.092 0.000 2.294 195 R HA 0.203 4.543 4.340 -0.000 0.000 0.319 195 R C -0.223 176.243 176.300 0.277 0.000 0.984 195 R CA -0.593 55.599 56.100 0.153 0.000 0.861 195 R CB 0.737 31.145 30.300 0.179 0.000 1.104 195 R HN 0.309 nan 8.270 nan 0.000 0.451 196 W N 7.492 128.872 121.300 0.134 0.000 2.303 196 W HA 0.023 4.683 4.660 -0.000 0.000 0.318 196 W C -0.153 176.498 176.519 0.219 0.000 1.362 196 W CA -0.487 56.963 57.345 0.176 0.000 1.234 196 W CB 1.002 30.573 29.460 0.184 0.000 1.248 196 W HN 0.623 nan 8.180 nan 0.000 0.546 197 M N 4.745 124.189 119.600 -0.259 0.000 2.492 197 M HA 0.199 4.679 4.480 -0.000 0.000 0.255 197 M C 0.820 176.925 176.300 -0.325 0.000 1.139 197 M CA 0.847 56.044 55.300 -0.171 0.000 1.096 197 M CB -0.579 31.980 32.600 -0.069 0.000 1.360 197 M HN 0.584 nan 8.290 nan 0.000 0.480 198 G N 1.116 109.432 108.800 -0.806 0.000 2.339 198 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.381 198 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.381 198 G C -1.442 173.184 174.900 -0.457 0.000 1.400 198 G CA -1.013 43.831 45.100 -0.427 0.000 1.002 198 G HN 0.180 nan 8.290 nan 0.000 0.633 199 K N 0.311 120.703 120.400 -0.013 0.000 2.339 199 K HA 0.658 4.978 4.320 -0.000 0.000 0.264 199 K C -0.870 175.700 176.600 -0.050 0.000 0.986 199 K CA -0.878 55.452 56.287 0.070 0.000 0.866 199 K CB 0.799 33.458 32.500 0.266 0.000 1.103 199 K HN 0.265 nan 8.250 nan 0.000 0.441 200 L N 3.814 124.979 121.223 -0.096 0.000 2.275 200 L HA 0.365 4.705 4.340 -0.000 0.000 0.288 200 L C 0.225 176.902 176.870 -0.323 0.000 1.046 200 L CA -0.201 54.500 54.840 -0.231 0.000 0.805 200 L CB 1.328 43.290 42.059 -0.162 0.000 1.193 200 L HN 0.782 nan 8.230 nan 0.000 0.426 201 T N 0.050 114.328 114.554 -0.460 0.000 2.807 201 T HA 0.711 5.061 4.350 -0.000 0.000 0.279 201 T C -0.620 173.774 174.700 -0.511 0.000 0.993 201 T CA -0.419 61.486 62.100 -0.326 0.000 0.970 201 T CB 0.515 69.296 68.868 -0.143 0.000 0.950 201 T HN 0.136 nan 8.240 nan 0.000 0.441 202 F N 4.769 124.798 119.950 0.132 0.000 2.430 202 F HA 0.406 4.933 4.527 -0.000 0.000 0.362 202 F C -2.123 173.763 175.800 0.143 0.000 1.103 202 F CA -2.476 55.614 58.000 0.150 0.000 1.045 202 F CB 1.777 40.919 39.000 0.237 0.000 1.276 202 F HN 0.401 nan 8.300 nan 0.000 0.444 203 P HA -0.001 nan 4.420 nan 0.000 0.269 203 P C -0.737 176.654 177.300 0.152 0.000 1.209 203 P CA -0.210 62.977 63.100 0.146 0.000 0.776 203 P CB 0.805 32.555 31.700 0.084 0.000 0.876 204 Q N 0.813 120.689 119.800 0.127 0.000 2.286 204 Q HA 0.411 4.751 4.340 -0.000 0.000 0.290 204 Q C 0.879 176.923 176.000 0.073 0.000 1.049 204 Q CA 0.851 56.714 55.803 0.100 0.000 0.923 204 Q CB 0.056 28.847 28.738 0.088 0.000 1.183 204 Q HN 0.820 nan 8.270 nan 0.000 0.383 205 G N 0.314 109.149 108.800 0.058 0.000 2.362 205 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.288 205 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.288 205 G C -0.148 174.771 174.900 0.032 0.000 1.305 205 G CA -0.221 44.904 45.100 0.042 0.000 0.910 205 G HN 0.522 nan 8.290 nan 0.000 0.518 206 T N -1.941 112.627 114.554 0.024 0.000 3.244 206 T HA 0.535 4.885 4.350 -0.000 0.000 0.254 206 T C 0.953 175.667 174.700 0.023 0.000 1.024 206 T CA 0.899 63.006 62.100 0.012 0.000 0.920 206 T CB 0.269 69.138 68.868 0.003 0.000 1.042 206 T HN 1.095 nan 8.240 nan 0.000 0.572 207 S N 0.519 116.246 115.700 0.045 0.000 2.584 207 S HA 0.389 4.859 4.470 -0.000 0.000 0.273 207 S C 1.344 175.992 174.600 0.081 0.000 1.311 207 S CA -0.767 57.470 58.200 0.062 0.000 1.034 207 S CB 1.241 64.484 63.200 0.073 0.000 0.939 207 S HN 0.513 nan 8.310 nan 0.000 0.513 208 R N 2.395 122.948 120.500 0.087 0.000 2.115 208 R HA 0.053 4.393 4.340 -0.000 0.000 0.226 208 R C 0.583 176.980 176.300 0.161 0.000 1.100 208 R CA 1.164 57.329 56.100 0.109 0.000 0.980 208 R CB -0.378 29.998 30.300 0.128 0.000 0.875 208 R HN 0.785 nan 8.270 nan 0.000 0.445 209 S N -0.186 115.607 115.700 0.155 0.000 3.477 209 S HA -0.116 4.354 4.470 -0.000 0.000 0.371 209 S C -0.206 174.491 174.600 0.161 0.000 0.965 209 S CA 0.474 58.772 58.200 0.163 0.000 1.239 209 S CB -1.521 61.841 63.200 0.270 0.000 0.918 209 S HN 0.198 nan 8.310 nan 0.000 0.498 210 V N 1.176 121.154 119.914 0.107 0.000 2.617 210 V HA 0.095 4.215 4.120 -0.000 0.000 0.304 210 V C 0.623 176.677 176.094 -0.066 0.000 1.040 210 V CA 0.594 62.922 62.300 0.047 0.000 1.149 210 V CB 0.637 32.514 31.823 0.089 0.000 0.914 210 V HN 0.359 nan 8.190 nan 0.000 0.487 211 K N 4.281 124.598 120.400 -0.138 0.000 2.259 211 K HA 0.652 4.972 4.320 -0.000 0.000 0.252 211 K C -0.461 175.894 176.600 -0.409 0.000 0.936 211 K CA -0.552 55.604 56.287 -0.217 0.000 0.810 211 K CB 1.725 34.138 32.500 -0.144 0.000 1.143 211 K HN 0.558 nan 8.250 nan 0.000 0.427 212 R N 2.853 123.126 120.500 -0.379 0.000 2.468 212 R HA 0.402 4.741 4.340 -0.000 0.000 0.302 212 R C -0.938 175.301 176.300 -0.102 0.000 1.041 212 R CA -0.394 55.445 56.100 -0.436 0.000 0.899 212 R CB 1.151 31.116 30.300 -0.558 0.000 1.167 212 R HN 0.487 nan 8.270 nan 0.000 0.483 213 M N 5.323 124.863 119.600 -0.100 0.000 2.066 213 M HA 0.344 4.824 4.480 -0.000 0.000 0.340 213 M C -2.154 174.020 176.300 -0.210 0.000 1.053 213 M CA -1.995 53.237 55.300 -0.112 0.000 0.983 213 M CB 1.832 34.350 32.600 -0.137 0.000 1.520 213 M HN 0.173 nan 8.290 nan 0.000 0.428 214 P HA 0.062 nan 4.420 nan 0.000 0.271 214 P C -0.165 176.923 177.300 -0.354 0.000 1.216 214 P CA -0.013 62.637 63.100 -0.749 0.000 0.776 214 P CB 0.976 32.294 31.700 -0.637 0.000 0.881 215 L N 1.449 122.442 121.223 -0.385 0.000 2.592 215 L HA 0.031 4.371 4.340 -0.000 0.000 0.227 215 L C 1.066 178.150 176.870 0.357 0.000 1.127 215 L CA 0.372 55.193 54.840 -0.031 0.000 0.884 215 L CB -0.286 41.614 42.059 -0.265 0.000 1.065 215 L HN 0.363 nan 8.230 nan 0.000 0.457 216 S N 0.365 116.166 115.700 0.168 0.000 3.940 216 S HA 0.213 4.682 4.470 -0.000 0.000 0.210 216 S C 1.097 175.797 174.600 0.166 0.000 1.419 216 S CA -0.610 57.773 58.200 0.306 0.000 0.912 216 S CB -0.641 62.665 63.200 0.177 0.000 1.489 216 S HN 0.426 nan 8.310 nan 0.000 0.469 217 I N -1.063 119.631 120.570 0.208 0.000 3.550 217 I HA 0.312 4.482 4.170 -0.000 0.000 0.295 217 I C 1.000 177.122 176.117 0.008 0.000 1.291 217 I CA -0.561 60.796 61.300 0.095 0.000 1.298 217 I CB -0.820 37.259 38.000 0.132 0.000 1.026 217 I HN 0.466 nan 8.210 nan 0.000 0.491 218 G N 0.681 109.468 108.800 -0.022 0.000 2.634 218 G HA2 0.399 4.358 3.960 -0.000 0.000 0.255 218 G HA3 0.399 4.358 3.960 -0.000 0.000 0.255 218 G C 0.945 175.808 174.900 -0.063 0.000 1.205 218 G CA 0.141 45.185 45.100 -0.093 0.000 0.884 218 G HN 0.658 nan 8.290 nan 0.000 0.549 219 G N -1.508 107.242 108.800 -0.082 0.000 2.179 219 G HA2 0.269 4.229 3.960 -0.000 0.000 0.260 219 G HA3 0.269 4.229 3.960 -0.000 0.000 0.260 219 G C 1.379 176.246 174.900 -0.055 0.000 0.977 219 G CA 0.758 45.819 45.100 -0.065 0.000 0.641 219 G HN 2.826 nan 8.290 nan 0.000 0.533 220 G N -0.904 107.876 108.800 -0.033 0.000 2.660 220 G HA2 0.422 4.382 3.960 -0.000 0.000 0.215 220 G HA3 0.422 4.382 3.960 -0.000 0.000 0.215 220 G C 0.187 174.962 174.900 -0.209 0.000 1.345 220 G CA 0.978 46.060 45.100 -0.030 0.000 0.877 220 G HN 2.234 nan 8.290 nan 0.000 0.549 221 A N -0.394 122.135 122.820 -0.485 0.000 2.324 221 A HA 0.902 5.222 4.320 -0.000 0.000 0.330 221 A C 0.823 178.228 177.584 -0.297 0.000 1.165 221 A CA 0.792 52.488 52.037 -0.568 0.000 0.813 221 A CB 1.168 19.475 19.000 -1.155 0.000 1.197 221 A HN 2.406 nan 8.150 nan 0.000 0.484 222 G N 0.062 108.745 108.800 -0.195 0.000 2.483 222 G HA2 0.614 4.573 3.960 -0.000 0.000 0.248 222 G HA3 0.614 4.573 3.960 -0.000 0.000 0.248 222 G C 0.081 174.918 174.900 -0.105 0.000 1.248 222 G CA 0.574 45.602 45.100 -0.119 0.000 0.838 222 G HN 1.536 nan 8.290 nan 0.000 0.566 223 A N 1.599 124.375 122.820 -0.074 0.000 2.507 223 A HA 0.789 5.109 4.320 -0.000 0.000 0.284 223 A C -0.139 177.421 177.584 -0.040 0.000 1.281 223 A CA -0.807 51.197 52.037 -0.054 0.000 0.744 223 A CB 1.081 20.052 19.000 -0.049 0.000 1.332 223 A HN 0.630 nan 8.150 nan 0.000 0.454 224 K N 0.913 121.294 120.400 -0.031 0.000 2.292 224 K HA 0.366 4.686 4.320 -0.000 0.000 0.290 224 K C -0.331 176.255 176.600 -0.024 0.000 1.083 224 K CA 0.778 57.050 56.287 -0.025 0.000 0.918 224 K CB -0.110 32.378 32.500 -0.021 0.000 1.089 224 K HN 0.813 nan 8.250 nan 0.000 0.473 225 S N 0.600 116.286 115.700 -0.024 0.000 3.587 225 S HA -0.237 4.233 4.470 -0.000 0.000 0.337 225 S C -0.389 174.196 174.600 -0.025 0.000 1.119 225 S CA 0.868 59.055 58.200 -0.022 0.000 0.976 225 S CB -1.383 61.806 63.200 -0.018 0.000 0.922 225 S HN 0.880 nan 8.310 nan 0.000 0.503 226 A N -0.062 122.740 122.820 -0.030 0.000 2.564 226 A HA 0.879 5.199 4.320 -0.000 0.000 0.291 226 A C -0.914 176.644 177.584 -0.043 0.000 1.102 226 A CA -0.615 51.403 52.037 -0.033 0.000 0.660 226 A CB 1.068 20.050 19.000 -0.030 0.000 1.283 226 A HN 1.075 nan 8.150 nan 0.000 0.430 227 I N -1.705 118.839 120.570 -0.043 0.000 2.686 227 I HA 0.790 4.960 4.170 -0.000 0.000 0.295 227 I C -1.645 174.448 176.117 -0.040 0.000 1.114 227 I CA -1.037 60.229 61.300 -0.057 0.000 1.038 227 I CB 1.659 39.627 38.000 -0.054 0.000 1.238 227 I HN 0.393 nan 8.210 nan 0.000 0.420 228 L N 5.217 126.408 121.223 -0.053 0.000 2.325 228 L HA 0.710 5.050 4.340 -0.000 0.000 0.279 228 L C -0.256 176.701 176.870 0.144 0.000 1.054 228 L CA -0.194 54.669 54.840 0.038 0.000 0.804 228 L CB 1.536 43.615 42.059 0.034 0.000 1.200 228 L HN 0.792 nan 8.230 nan 0.000 0.436 229 M N 3.990 123.706 119.600 0.193 0.000 2.421 229 M HA 0.470 4.950 4.480 -0.000 0.000 0.287 229 M C -1.378 174.955 176.300 0.056 0.000 1.183 229 M CA -0.401 54.998 55.300 0.165 0.000 0.916 229 M CB 2.121 34.742 32.600 0.035 0.000 1.701 229 M HN 0.701 nan 8.290 nan 0.000 0.470 230 N N 3.943 122.627 118.700 -0.027 0.000 2.321 230 N HA 0.335 5.075 4.740 -0.000 0.000 0.290 230 N C 0.252 175.666 175.510 -0.160 0.000 1.212 230 N CA -0.816 52.140 53.050 -0.157 0.000 0.767 230 N CB 1.417 39.724 38.487 -0.300 0.000 1.494 230 N HN 0.806 nan 8.380 nan 0.000 0.479 231 M N 0.771 120.254 119.600 -0.195 0.000 2.082 231 M HA -0.073 4.407 4.480 -0.000 0.000 0.258 231 M C -0.955 175.154 176.300 -0.318 0.000 1.071 231 M CA 2.238 57.393 55.300 -0.242 0.000 1.103 231 M CB -1.736 30.711 32.600 -0.255 0.000 1.307 231 M HN 0.504 nan 8.290 nan 0.000 0.409 232 P HA -0.159 nan 4.420 nan 0.000 0.218 232 P C 0.971 178.193 177.300 -0.131 0.000 1.148 232 P CA 1.762 64.639 63.100 -0.372 0.000 0.822 232 P CB -0.792 30.706 31.700 -0.337 0.000 0.784 233 N N -0.270 118.358 118.700 -0.121 0.000 2.270 233 N HA -0.070 4.670 4.740 -0.000 0.000 0.181 233 N C 1.808 177.224 175.510 -0.155 0.000 1.016 233 N CA 0.737 53.740 53.050 -0.078 0.000 0.870 233 N CB -0.171 38.331 38.487 0.025 0.000 0.979 233 N HN -0.030 nan 8.380 nan 0.000 0.431 234 A N 0.606 123.326 122.820 -0.167 0.000 1.969 234 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 234 A C 2.287 179.700 177.584 -0.285 0.000 1.169 234 A CA 1.339 53.261 52.037 -0.192 0.000 0.635 234 A CB -0.747 18.161 19.000 -0.154 0.000 0.810 234 A HN 0.315 nan 8.150 nan 0.000 0.445 235 V N -0.844 118.889 119.914 -0.302 0.000 2.453 235 V HA -0.122 3.998 4.120 -0.000 0.000 0.247 235 V C 2.166 177.689 176.094 -0.952 0.000 1.048 235 V CA 1.981 64.042 62.300 -0.399 0.000 1.049 235 V CB -0.532 31.221 31.823 -0.117 0.000 0.672 235 V HN 0.480 nan 8.190 nan 0.000 0.457 236 L N 0.790 121.460 121.223 -0.923 0.000 2.083 236 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 236 L C 2.517 178.752 176.870 -1.058 0.000 1.083 236 L CA 2.169 56.148 54.840 -1.435 0.000 0.752 236 L CB -0.378 41.204 42.059 -0.795 0.000 0.899 236 L HN 0.438 nan 8.230 nan 0.000 0.433 237 S N -0.311 115.013 115.700 -0.627 0.000 2.500 237 S HA -0.085 4.385 4.470 -0.000 0.000 0.239 237 S C 1.784 176.148 174.600 -0.393 0.000 0.989 237 S CA 0.888 58.845 58.200 -0.404 0.000 0.951 237 S CB -0.161 62.886 63.200 -0.255 0.000 0.759 237 S HN 0.387 nan 8.310 nan 0.000 0.523 238 M N 0.123 119.376 119.600 -0.578 0.000 2.319 238 M HA 0.054 4.534 4.480 -0.000 0.000 0.265 238 M C 0.085 176.255 176.300 -0.216 0.000 1.068 238 M CA 0.627 55.692 55.300 -0.391 0.000 1.118 238 M CB -0.706 31.658 32.600 -0.394 0.000 1.395 238 M HN 0.339 nan 8.290 nan 0.000 0.435 239 W N 0.216 121.439 121.300 -0.129 0.000 2.375 239 W HA 0.330 4.990 4.660 -0.000 0.000 0.336 239 W C 1.558 178.005 176.519 -0.120 0.000 1.160 239 W CA -0.898 56.379 57.345 -0.113 0.000 1.266 239 W CB 0.146 29.522 29.460 -0.139 0.000 1.195 239 W HN 0.085 nan 8.180 nan 0.000 0.599 240 R N 0.506 121.081 120.500 0.125 0.000 2.066 240 R HA 0.032 4.372 4.340 -0.000 0.000 0.224 240 R C -0.426 175.701 176.300 -0.287 0.000 1.122 240 R CA 1.382 57.395 56.100 -0.144 0.000 0.974 240 R CB -0.377 29.817 30.300 -0.178 0.000 0.871 240 R HN 0.390 nan 8.270 nan 0.000 0.435 241 Y N -1.142 119.291 120.300 0.222 0.000 2.545 241 Y HA 0.446 4.996 4.550 -0.000 0.000 0.348 241 Y C -0.771 175.261 175.900 0.219 0.000 1.002 241 Y CA -1.394 56.820 58.100 0.191 0.000 1.039 241 Y CB 1.928 40.495 38.460 0.178 0.000 1.271 241 Y HN 0.020 nan 8.280 nan 0.000 0.467 242 F N -0.489 119.382 119.950 -0.131 0.000 2.713 242 F HA 0.912 5.439 4.527 -0.000 0.000 0.311 242 F C -2.164 173.203 175.800 -0.721 0.000 1.141 242 F CA -1.511 56.289 58.000 -0.334 0.000 0.939 242 F CB 0.780 39.625 39.000 -0.259 0.000 1.325 242 F HN 0.303 nan 8.300 nan 0.000 0.453 243 V N -0.186 119.326 119.914 -0.670 0.000 3.216 243 V HA 1.060 5.180 4.120 -0.000 0.000 0.302 243 V C -0.290 175.682 176.094 -0.203 0.000 1.286 243 V CA -0.422 61.469 62.300 -0.682 0.000 1.048 243 V CB 0.975 32.680 31.823 -0.195 0.000 1.081 243 V HN 1.818 nan 8.190 nan 0.000 0.442 244 G N -0.098 108.685 108.800 -0.029 0.000 2.328 244 G HA2 0.477 4.437 3.960 -0.000 0.000 0.295 244 G HA3 0.477 4.437 3.960 -0.000 0.000 0.295 244 G C -2.440 172.615 174.900 0.259 0.000 1.413 244 G CA -0.780 44.391 45.100 0.119 0.000 0.817 244 G HN 0.597 nan 8.290 nan 0.000 0.546 245 D N 1.087 121.628 120.400 0.235 0.000 2.317 245 D HA 0.410 5.050 4.640 -0.000 0.000 0.252 245 D C 0.374 176.823 176.300 0.249 0.000 1.174 245 D CA 0.209 54.375 54.000 0.277 0.000 0.866 245 D CB 1.475 42.383 40.800 0.181 0.000 1.127 245 D HN 0.321 nan 8.370 nan 0.000 0.467 246 L N 1.773 123.196 121.223 0.333 0.000 2.289 246 L HA 0.408 4.748 4.340 -0.000 0.000 0.285 246 L C -0.043 176.858 176.870 0.051 0.000 1.049 246 L CA -0.973 53.960 54.840 0.155 0.000 0.804 246 L CB 1.350 43.542 42.059 0.223 0.000 1.195 246 L HN -0.044 nan 8.230 nan 0.000 0.428 247 V N 3.842 123.670 119.914 -0.143 0.000 2.384 247 V HA 0.423 4.543 4.120 -0.000 0.000 0.287 247 V C -0.371 175.570 176.094 -0.255 0.000 1.020 247 V CA -0.300 61.950 62.300 -0.084 0.000 0.850 247 V CB 1.281 33.096 31.823 -0.014 0.000 0.987 247 V HN 0.387 nan 8.190 nan 0.000 0.436 248 F N 2.437 122.453 119.950 0.110 0.000 2.480 248 F HA 0.525 5.052 4.527 -0.000 0.000 0.329 248 F C 0.407 176.220 175.800 0.021 0.000 1.091 248 F CA -0.576 57.465 58.000 0.069 0.000 0.972 248 F CB 1.737 40.775 39.000 0.063 0.000 1.150 248 F HN 0.426 nan 8.300 nan 0.000 0.467 249 E N 2.820 123.148 120.200 0.212 0.000 2.145 249 E HA 0.465 4.815 4.350 -0.000 0.000 0.262 249 E C -1.733 174.954 176.600 0.145 0.000 0.883 249 E CA -0.483 56.005 56.400 0.146 0.000 0.748 249 E CB 1.499 31.278 29.700 0.131 0.000 1.140 249 E HN 0.447 nan 8.360 nan 0.000 0.417 250 V N 3.730 123.723 119.914 0.132 0.000 2.407 250 V HA 0.296 4.416 4.120 -0.000 0.000 0.278 250 V C -0.246 176.012 176.094 0.273 0.000 1.037 250 V CA -0.465 61.940 62.300 0.176 0.000 0.900 250 V CB 1.436 33.350 31.823 0.152 0.000 0.983 250 V HN 0.620 nan 8.190 nan 0.000 0.459 251 S N 4.210 120.034 115.700 0.207 0.000 2.482 251 S HA 0.465 4.935 4.470 -0.000 0.000 0.303 251 S C -0.369 174.199 174.600 -0.053 0.000 1.091 251 S CA -0.888 57.395 58.200 0.138 0.000 1.057 251 S CB 1.561 64.844 63.200 0.139 0.000 1.031 251 S HN 0.706 nan 8.310 nan 0.000 0.485 252 K N 2.569 122.785 120.400 -0.306 0.000 2.310 252 K HA 0.262 4.582 4.320 -0.000 0.000 0.290 252 K C 0.069 176.495 176.600 -0.289 0.000 1.077 252 K CA -0.002 55.940 56.287 -0.575 0.000 0.922 252 K CB 0.085 32.039 32.500 -0.909 0.000 1.057 252 K HN 0.664 nan 8.250 nan 0.000 0.479 253 M N 2.476 121.920 119.600 -0.261 0.000 2.475 253 M HA 0.060 4.539 4.480 -0.000 0.000 0.283 253 M C 0.299 176.495 176.300 -0.173 0.000 1.165 253 M CA -0.079 55.118 55.300 -0.173 0.000 0.976 253 M CB 1.091 33.627 32.600 -0.107 0.000 1.428 253 M HN 0.471 nan 8.290 nan 0.000 0.495 254 T N -0.865 113.577 114.554 -0.187 0.000 2.858 254 T HA 0.369 4.719 4.350 -0.000 0.000 0.285 254 T C -0.440 174.238 174.700 -0.037 0.000 1.052 254 T CA -0.481 61.558 62.100 -0.103 0.000 1.009 254 T CB 1.881 70.685 68.868 -0.107 0.000 1.241 254 T HN 0.133 nan 8.240 nan 0.000 0.542 255 S N 1.589 117.310 115.700 0.033 0.000 2.560 255 S HA 0.212 4.681 4.470 -0.000 0.000 0.284 255 S C -1.462 173.225 174.600 0.144 0.000 1.327 255 S CA -1.016 57.228 58.200 0.072 0.000 1.055 255 S CB 0.557 63.802 63.200 0.076 0.000 0.868 255 S HN 0.534 nan 8.310 nan 0.000 0.506 256 P HA -0.050 nan 4.420 nan 0.000 0.236 256 P C 0.377 177.897 177.300 0.367 0.000 1.172 256 P CA 0.765 64.009 63.100 0.240 0.000 0.759 256 P CB -0.113 31.720 31.700 0.222 0.000 0.843 257 Y N -0.062 120.294 120.300 0.093 0.000 2.519 257 Y HA 0.130 4.680 4.550 -0.000 0.000 0.287 257 Y C 1.545 177.505 175.900 0.100 0.000 1.128 257 Y CA -0.474 57.678 58.100 0.087 0.000 1.282 257 Y CB -0.435 38.069 38.460 0.072 0.000 1.027 257 Y HN -0.101 nan 8.280 nan 0.000 0.551 258 I N 2.014 122.753 120.570 0.280 0.000 2.291 258 I HA 0.156 4.326 4.170 -0.000 0.000 0.290 258 I C -0.292 175.967 176.117 0.237 0.000 1.050 258 I CA -0.604 60.844 61.300 0.246 0.000 1.245 258 I CB 0.467 38.644 38.000 0.295 0.000 1.405 258 I HN -0.292 nan 8.210 nan 0.000 0.478 259 K N 5.044 125.494 120.400 0.084 0.000 2.110 259 K HA 0.647 4.967 4.320 -0.000 0.000 0.263 259 K C -0.814 175.638 176.600 -0.247 0.000 0.975 259 K CA -0.492 55.778 56.287 -0.029 0.000 0.895 259 K CB 2.334 34.821 32.500 -0.021 0.000 1.060 259 K HN 0.659 nan 8.250 nan 0.000 0.448 260 C N 0.956 119.977 119.300 -0.466 0.000 3.199 260 C HA 0.307 4.767 4.460 -0.000 0.000 0.392 260 C C -1.026 173.684 174.990 -0.465 0.000 1.050 260 C CA -0.416 58.228 59.018 -0.624 0.000 1.222 260 C CB 1.217 28.233 27.740 -1.208 0.000 1.595 260 C HN 0.847 nan 8.230 nan 0.000 0.560 261 T N 4.836 119.235 114.554 -0.258 0.000 2.743 261 T HA 0.514 4.863 4.350 -0.000 0.000 0.292 261 T C -0.143 174.461 174.700 -0.159 0.000 0.972 261 T CA -0.262 61.761 62.100 -0.128 0.000 0.967 261 T CB 0.953 69.823 68.868 0.004 0.000 0.926 261 T HN 0.607 nan 8.240 nan 0.000 0.459 262 V N 3.050 122.871 119.914 -0.155 0.000 2.472 262 V HA 0.573 4.692 4.120 -0.000 0.000 0.290 262 V C 0.361 176.357 176.094 -0.163 0.000 1.037 262 V CA -0.679 61.459 62.300 -0.270 0.000 0.908 262 V CB 1.892 33.521 31.823 -0.323 0.000 0.985 262 V HN 0.854 nan 8.190 nan 0.000 0.454 263 S N 4.119 119.695 115.700 -0.207 0.000 2.449 263 S HA 0.745 5.215 4.470 -0.000 0.000 0.310 263 S C -1.111 173.446 174.600 -0.072 0.000 1.096 263 S CA -0.405 57.807 58.200 0.019 0.000 1.095 263 S CB 0.228 63.510 63.200 0.136 0.000 1.007 263 S HN 0.386 nan 8.310 nan 0.000 0.474 264 F N 5.368 125.475 119.950 0.262 0.000 2.469 264 F HA 0.760 5.287 4.527 -0.000 0.000 0.332 264 F C -0.053 175.991 175.800 0.407 0.000 1.103 264 F CA -0.758 57.357 58.000 0.192 0.000 0.979 264 F CB 1.554 40.700 39.000 0.244 0.000 1.137 264 F HN 0.653 nan 8.300 nan 0.000 0.463 265 F N 0.893 120.990 119.950 0.244 0.000 2.773 265 F HA 0.691 5.218 4.527 -0.000 0.000 0.314 265 F C -2.051 173.626 175.800 -0.204 0.000 1.160 265 F CA -1.527 56.543 58.000 0.116 0.000 0.920 265 F CB 0.838 39.896 39.000 0.096 0.000 1.323 265 F HN 0.040 nan 8.300 nan 0.000 0.457 266 I N 2.225 122.724 120.570 -0.118 0.000 2.392 266 I HA 0.822 4.992 4.170 -0.000 0.000 0.295 266 I C 0.119 175.975 176.117 -0.435 0.000 0.985 266 I CA -0.596 60.511 61.300 -0.321 0.000 1.221 266 I CB 0.758 38.569 38.000 -0.314 0.000 1.366 266 I HN 1.040 nan 8.210 nan 0.000 0.467 267 A N 5.568 128.138 122.820 -0.417 0.000 2.536 267 A HA 0.756 5.076 4.320 -0.000 0.000 0.293 267 A C -1.602 175.881 177.584 -0.168 0.000 1.119 267 A CA -0.579 51.188 52.037 -0.450 0.000 0.654 267 A CB 0.826 19.416 19.000 -0.683 0.000 1.291 267 A HN 0.367 nan 8.150 nan 0.000 0.439 268 F N 0.112 120.077 119.950 0.026 0.000 2.403 268 F HA 0.501 5.028 4.527 -0.000 0.000 0.326 268 F C 1.803 177.636 175.800 0.055 0.000 1.081 268 F CA 0.760 58.835 58.000 0.125 0.000 1.041 268 F CB 1.650 40.715 39.000 0.107 0.000 1.234 268 F HN 0.740 nan 8.300 nan 0.000 0.503 269 G N 0.731 109.486 108.800 -0.074 0.000 2.462 269 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 269 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 269 G C 1.229 176.095 174.900 -0.058 0.000 1.121 269 G CA 0.850 45.668 45.100 -0.469 0.000 0.758 269 G HN 0.669 nan 8.290 nan 0.000 0.559 270 N N 0.312 119.074 118.700 0.103 0.000 2.515 270 N HA 0.042 4.782 4.740 -0.000 0.000 0.191 270 N C 0.497 176.090 175.510 0.139 0.000 1.182 270 N CA -0.082 53.033 53.050 0.108 0.000 0.879 270 N CB -0.245 38.303 38.487 0.101 0.000 0.984 270 N HN 0.242 nan 8.380 nan 0.000 0.453 271 L N 0.905 122.266 121.223 0.229 0.000 2.371 271 L HA 0.426 4.766 4.340 -0.000 0.000 0.272 271 L C 0.669 177.687 176.870 0.248 0.000 1.124 271 L CA -0.855 54.128 54.840 0.239 0.000 0.816 271 L CB 1.074 43.362 42.059 0.381 0.000 1.129 271 L HN 0.060 nan 8.230 nan 0.000 0.448 272 A N 1.715 124.603 122.820 0.112 0.000 2.371 272 A HA 0.127 4.447 4.320 -0.000 0.000 0.257 272 A C 0.619 178.315 177.584 0.186 0.000 1.089 272 A CA -0.482 51.618 52.037 0.106 0.000 0.794 272 A CB 0.275 19.288 19.000 0.021 0.000 1.029 272 A HN 0.844 nan 8.150 nan 0.000 0.488 273 D N 0.569 121.107 120.400 0.228 0.000 2.190 273 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 273 D C 1.006 177.473 176.300 0.278 0.000 0.992 273 D CA 2.032 56.227 54.000 0.325 0.000 0.854 273 D CB 0.069 40.983 40.800 0.191 0.000 0.936 273 D HN 0.743 nan 8.370 nan 0.000 0.462 274 D N -0.429 120.025 120.400 0.091 0.000 2.336 274 D HA -0.042 4.598 4.640 -0.000 0.000 0.228 274 D C -0.250 175.966 176.300 -0.140 0.000 1.120 274 D CA -0.027 53.980 54.000 0.011 0.000 0.839 274 D CB -0.740 40.061 40.800 0.002 0.000 0.932 274 D HN -0.155 nan 8.370 nan 0.000 0.509 275 T N 1.649 115.976 114.554 -0.378 0.000 2.792 275 T HA 0.060 4.410 4.350 -0.000 0.000 0.286 275 T C 1.823 176.221 174.700 -0.503 0.000 0.970 275 T CA -0.139 61.593 62.100 -0.613 0.000 1.187 275 T CB 0.559 68.701 68.868 -1.209 0.000 0.915 275 T HN 0.112 nan 8.240 nan 0.000 0.529 276 I N 2.910 123.312 120.570 -0.280 0.000 2.127 276 I HA -0.192 3.978 4.170 -0.000 0.000 0.241 276 I C 1.852 177.867 176.117 -0.170 0.000 1.075 276 I CA 1.061 62.256 61.300 -0.175 0.000 1.334 276 I CB -0.249 37.675 38.000 -0.128 0.000 1.040 276 I HN 0.630 nan 8.210 nan 0.000 0.405 277 N N 0.932 119.502 118.700 -0.217 0.000 3.052 277 N HA -0.030 4.710 4.740 -0.000 0.000 0.302 277 N C 0.684 176.065 175.510 -0.215 0.000 1.332 277 N CA -0.121 52.812 53.050 -0.195 0.000 1.129 277 N CB -0.453 37.915 38.487 -0.198 0.000 1.436 277 N HN 0.111 nan 8.380 nan 0.000 0.536 278 F N 1.164 120.971 119.950 -0.238 0.000 2.171 278 F HA -0.022 4.505 4.527 -0.000 0.000 0.300 278 F C 1.554 177.002 175.800 -0.587 0.000 1.090 278 F CA 0.873 58.656 58.000 -0.362 0.000 1.293 278 F CB -0.091 38.719 39.000 -0.315 0.000 1.013 278 F HN 0.289 nan 8.300 nan 0.000 0.486 279 E N -0.579 119.446 120.200 -0.291 0.000 2.365 279 E HA 0.105 4.455 4.350 -0.000 0.000 0.188 279 E C 1.625 178.114 176.600 -0.184 0.000 1.102 279 E CA 0.245 56.358 56.400 -0.478 0.000 0.927 279 E CB -0.117 29.221 29.700 -0.603 0.000 1.073 279 E HN 0.305 nan 8.360 nan 0.000 0.467 280 A N 0.276 122.995 122.820 -0.169 0.000 2.147 280 A HA 0.110 4.430 4.320 -0.000 0.000 0.211 280 A C 0.433 177.963 177.584 -0.089 0.000 1.160 280 A CA -0.000 51.957 52.037 -0.134 0.000 0.781 280 A CB 0.151 19.011 19.000 -0.233 0.000 0.842 280 A HN 0.086 nan 8.150 nan 0.000 0.475 281 F N 0.356 120.271 119.950 -0.058 0.000 2.403 281 F HA 0.400 4.927 4.527 -0.000 0.000 0.320 281 F C -2.155 173.724 175.800 0.132 0.000 1.176 281 F CA -2.221 55.781 58.000 0.003 0.000 1.206 281 F CB 0.236 39.194 39.000 -0.069 0.000 1.235 281 F HN -0.097 nan 8.300 nan 0.000 0.565 282 P HA 0.131 nan 4.420 nan 0.000 0.271 282 P C -1.039 176.481 177.300 0.367 0.000 1.226 282 P CA 0.392 63.646 63.100 0.257 0.000 0.765 282 P CB 0.326 32.136 31.700 0.184 0.000 0.835 283 H N 1.019 120.212 119.070 0.205 0.000 2.943 283 H HA 0.604 5.159 4.556 -0.000 0.000 0.323 283 H C -1.137 174.310 175.328 0.198 0.000 1.296 283 H CA -1.153 55.074 56.048 0.298 0.000 1.155 283 H CB 1.548 31.473 29.762 0.272 0.000 1.882 283 H HN 0.206 nan 8.280 nan 0.000 0.553 284 K N 1.584 122.176 120.400 0.321 0.000 2.471 284 K HA 0.427 4.747 4.320 -0.000 0.000 0.252 284 K C -0.778 175.973 176.600 0.251 0.000 0.938 284 K CA -0.680 55.694 56.287 0.146 0.000 0.796 284 K CB 2.741 35.288 32.500 0.079 0.000 1.161 284 K HN 0.342 nan 8.250 nan 0.000 0.425 285 L N 2.969 124.252 121.223 0.100 0.000 2.289 285 L HA 0.458 4.798 4.340 -0.000 0.000 0.285 285 L C -0.439 176.442 176.870 0.018 0.000 1.049 285 L CA -1.158 53.709 54.840 0.045 0.000 0.804 285 L CB 1.483 43.476 42.059 -0.109 0.000 1.195 285 L HN 0.276 nan 8.230 nan 0.000 0.428 286 V N 3.557 123.498 119.914 0.046 0.000 2.448 286 V HA 0.406 4.526 4.120 -0.000 0.000 0.295 286 V C -0.379 175.640 176.094 -0.124 0.000 1.025 286 V CA -0.607 61.657 62.300 -0.060 0.000 0.859 286 V CB 1.730 33.581 31.823 0.047 0.000 0.988 286 V HN 0.754 nan 8.190 nan 0.000 0.431 287 Q N 3.734 123.415 119.800 -0.199 0.000 2.323 287 Q HA 0.598 4.938 4.340 -0.000 0.000 0.271 287 Q C -1.583 174.337 176.000 -0.134 0.000 1.048 287 Q CA -0.468 55.281 55.803 -0.090 0.000 0.792 287 Q CB 2.972 31.687 28.738 -0.038 0.000 1.280 287 Q HN 0.643 nan 8.270 nan 0.000 0.441 288 F N 0.198 120.209 119.950 0.102 0.000 2.399 288 F HA 0.528 5.055 4.527 -0.000 0.000 0.334 288 F C 1.175 177.030 175.800 0.092 0.000 1.097 288 F CA -0.542 57.530 58.000 0.120 0.000 1.076 288 F CB 1.168 40.278 39.000 0.182 0.000 1.162 288 F HN 0.550 nan 8.300 nan 0.000 0.495 289 G N 1.290 110.246 108.800 0.260 0.000 2.507 289 G HA2 0.128 4.088 3.960 -0.000 0.000 0.271 289 G HA3 0.128 4.088 3.960 -0.000 0.000 0.271 289 G C 0.686 175.704 174.900 0.196 0.000 1.189 289 G CA -0.397 44.808 45.100 0.174 0.000 0.859 289 G HN 0.649 nan 8.290 nan 0.000 0.542 290 E N -0.011 120.281 120.200 0.152 0.000 2.082 290 E HA -0.212 4.138 4.350 -0.000 0.000 0.215 290 E C 2.261 178.956 176.600 0.157 0.000 1.048 290 E CA 1.349 57.844 56.400 0.158 0.000 0.869 290 E CB -0.063 29.720 29.700 0.139 0.000 0.773 290 E HN 0.366 nan 8.360 nan 0.000 0.466 291 I N 0.706 121.358 120.570 0.137 0.000 3.684 291 I HA -0.022 4.148 4.170 -0.000 0.000 0.304 291 I C 1.242 177.442 176.117 0.138 0.000 1.278 291 I CA 0.290 61.664 61.300 0.124 0.000 1.272 291 I CB -0.737 37.324 38.000 0.102 0.000 1.029 291 I HN 0.114 nan 8.210 nan 0.000 0.458 292 Q N 2.132 122.040 119.800 0.179 0.000 2.261 292 Q HA 0.081 4.421 4.340 -0.000 0.000 0.252 292 Q C 0.793 176.960 176.000 0.279 0.000 0.915 292 Q CA 0.048 55.986 55.803 0.226 0.000 0.915 292 Q CB 1.126 30.019 28.738 0.258 0.000 1.204 292 Q HN 0.545 nan 8.270 nan 0.000 0.421 293 E N 2.646 122.993 120.200 0.244 0.000 2.508 293 E HA 0.227 4.577 4.350 -0.000 0.000 0.217 293 E C -0.489 176.277 176.600 0.276 0.000 0.896 293 E CA -0.219 56.282 56.400 0.168 0.000 1.118 293 E CB 0.653 30.405 29.700 0.086 0.000 1.133 293 E HN 0.278 nan 8.360 nan 0.000 0.526 294 K N 0.678 121.269 120.400 0.318 0.000 2.328 294 K HA 0.643 4.963 4.320 -0.000 0.000 0.246 294 K C -1.674 175.084 176.600 0.265 0.000 0.955 294 K CA -0.934 55.535 56.287 0.303 0.000 0.817 294 K CB 2.892 35.504 32.500 0.186 0.000 1.208 294 K HN -0.083 nan 8.250 nan 0.000 0.432 295 V N 2.188 122.226 119.914 0.208 0.000 2.851 295 V HA 0.320 4.440 4.120 -0.000 0.000 0.307 295 V C -1.283 174.836 176.094 0.043 0.000 1.129 295 V CA -0.870 61.466 62.300 0.060 0.000 0.932 295 V CB 2.299 34.077 31.823 -0.075 0.000 1.024 295 V HN 0.449 nan 8.190 nan 0.000 0.426 296 V N 6.058 125.977 119.914 0.008 0.000 2.357 296 V HA 0.482 4.602 4.120 -0.000 0.000 0.284 296 V C -0.563 175.512 176.094 -0.031 0.000 1.018 296 V CA -0.587 61.723 62.300 0.015 0.000 0.841 296 V CB 1.432 33.270 31.823 0.025 0.000 0.991 296 V HN 0.509 nan 8.190 nan 0.000 0.437 297 L N 4.880 126.090 121.223 -0.020 0.000 2.343 297 L HA 0.658 4.998 4.340 -0.000 0.000 0.275 297 L C -0.102 176.758 176.870 -0.016 0.000 1.056 297 L CA -0.455 54.323 54.840 -0.103 0.000 0.804 297 L CB 1.418 43.392 42.059 -0.142 0.000 1.203 297 L HN 0.705 nan 8.230 nan 0.000 0.440 298 K N 2.385 122.665 120.400 -0.200 0.000 2.578 298 K HA 0.525 4.845 4.320 -0.000 0.000 0.250 298 K C -1.812 174.651 176.600 -0.227 0.000 0.955 298 K CA -0.112 56.134 56.287 -0.069 0.000 0.825 298 K CB 0.686 33.163 32.500 -0.038 0.000 1.151 298 K HN 0.191 nan 8.250 nan 0.000 0.432 299 F N 3.196 123.275 119.950 0.214 0.000 2.361 299 F HA 0.339 4.866 4.527 -0.000 0.000 0.364 299 F C 0.702 176.621 175.800 0.198 0.000 1.117 299 F CA -0.465 57.648 58.000 0.188 0.000 1.071 299 F CB 1.632 40.802 39.000 0.283 0.000 1.188 299 F HN 0.625 nan 8.300 nan 0.000 0.464 300 S N 2.030 117.854 115.700 0.207 0.000 2.645 300 S HA 0.146 4.616 4.470 -0.000 0.000 0.266 300 S C 0.919 175.641 174.600 0.204 0.000 1.258 300 S CA -0.641 57.675 58.200 0.193 0.000 0.990 300 S CB 0.978 64.238 63.200 0.100 0.000 0.967 300 S HN 0.749 nan 8.310 nan 0.000 0.556 301 Q N -0.007 119.950 119.800 0.263 0.000 2.439 301 Q HA -0.085 4.255 4.340 -0.000 0.000 0.211 301 Q C 1.279 177.375 176.000 0.161 0.000 0.978 301 Q CA 0.940 56.947 55.803 0.341 0.000 0.897 301 Q CB -0.137 28.769 28.738 0.281 0.000 0.956 301 Q HN 0.638 nan 8.270 nan 0.000 0.483 302 E N 0.688 120.926 120.200 0.064 0.000 2.409 302 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 302 E C 1.142 177.708 176.600 -0.057 0.000 1.024 302 E CA 0.699 57.115 56.400 0.027 0.000 0.861 302 E CB 0.127 29.843 29.700 0.027 0.000 0.788 302 E HN 0.445 nan 8.360 nan 0.000 0.521 303 E N -0.329 119.709 120.200 -0.269 0.000 2.442 303 E HA 0.033 4.383 4.350 -0.000 0.000 0.195 303 E C -0.196 176.023 176.600 -0.635 0.000 1.030 303 E CA 0.181 56.269 56.400 -0.520 0.000 0.869 303 E CB 0.170 29.344 29.700 -0.876 0.000 0.857 303 E HN 0.129 nan 8.360 nan 0.000 0.505 304 F N 0.353 120.393 119.950 0.150 0.000 2.477 304 F HA 0.193 4.720 4.527 -0.000 0.000 0.335 304 F C 0.920 176.827 175.800 0.178 0.000 1.130 304 F CA -0.912 57.188 58.000 0.168 0.000 0.948 304 F CB 1.232 40.402 39.000 0.283 0.000 1.154 304 F HN -0.230 nan 8.300 nan 0.000 0.439 305 L N 1.858 123.276 121.223 0.326 0.000 2.027 305 L HA 0.070 4.410 4.340 -0.000 0.000 0.206 305 L C 1.015 178.017 176.870 0.221 0.000 1.074 305 L CA 1.905 56.881 54.840 0.227 0.000 0.745 305 L CB -0.201 41.967 42.059 0.182 0.000 0.898 305 L HN 0.795 nan 8.230 nan 0.000 0.433 306 T N -3.987 110.726 114.554 0.265 0.000 2.778 306 T HA 0.762 5.112 4.350 -0.000 0.000 0.293 306 T C -0.198 174.658 174.700 0.261 0.000 1.144 306 T CA -0.501 61.713 62.100 0.191 0.000 1.010 306 T CB 0.754 69.670 68.868 0.080 0.000 1.325 306 T HN 0.285 nan 8.240 nan 0.000 0.515 307 A N 0.159 123.050 122.820 0.118 0.000 2.386 307 A HA 0.645 4.965 4.320 -0.000 0.000 0.246 307 A C -0.349 177.317 177.584 0.138 0.000 1.089 307 A CA -0.613 51.415 52.037 -0.015 0.000 0.790 307 A CB -0.392 18.648 19.000 0.066 0.000 1.042 307 A HN 1.059 nan 8.150 nan 0.000 0.497 308 W N -0.672 120.611 121.300 -0.028 0.000 2.992 308 W HA 0.690 5.350 4.660 -0.000 0.000 0.342 308 W C -0.289 176.399 176.519 0.282 0.000 1.176 308 W CA -0.702 56.702 57.345 0.099 0.000 1.118 308 W CB 0.316 29.756 29.460 -0.033 0.000 1.457 308 W HN 0.531 nan 8.180 nan 0.000 0.573 309 S N 1.074 117.088 115.700 0.525 0.000 2.552 309 S HA -0.025 4.444 4.470 -0.000 0.000 0.289 309 S C 1.011 175.787 174.600 0.293 0.000 1.304 309 S CA 0.456 58.834 58.200 0.297 0.000 1.063 309 S CB 1.140 64.481 63.200 0.235 0.000 0.848 309 S HN 0.648 nan 8.310 nan 0.000 0.499 310 T N 2.643 117.295 114.554 0.164 0.000 2.904 310 T HA 0.040 4.390 4.350 -0.000 0.000 0.267 310 T C 0.476 175.233 174.700 0.096 0.000 1.059 310 T CA 1.189 63.386 62.100 0.162 0.000 1.137 310 T CB 0.018 68.886 68.868 -0.000 0.000 0.879 310 T HN 0.578 nan 8.240 nan 0.000 0.467 311 Q N 0.222 120.053 119.800 0.051 0.000 2.359 311 Q HA 0.612 4.952 4.340 -0.000 0.000 0.274 311 Q C -1.899 174.130 176.000 0.048 0.000 1.074 311 Q CA -0.581 55.240 55.803 0.030 0.000 0.810 311 Q CB 3.122 31.849 28.738 -0.019 0.000 1.342 311 Q HN 0.082 nan 8.270 nan 0.000 0.427 312 V N 2.186 122.130 119.914 0.050 0.000 2.823 312 V HA 0.474 4.594 4.120 -0.000 0.000 0.312 312 V C -0.718 175.398 176.094 0.036 0.000 1.072 312 V CA -0.791 61.545 62.300 0.060 0.000 0.937 312 V CB 2.149 34.020 31.823 0.079 0.000 1.013 312 V HN 0.762 nan 8.190 nan 0.000 0.430 313 R N 6.935 127.457 120.500 0.036 0.000 2.401 313 R HA 0.249 4.589 4.340 -0.000 0.000 0.299 313 R C -1.629 174.686 176.300 0.025 0.000 1.064 313 R CA -0.760 55.354 56.100 0.023 0.000 1.000 313 R CB 0.720 31.033 30.300 0.022 0.000 0.973 313 R HN 0.491 nan 8.270 nan 0.000 0.438 314 P HA -0.339 nan 4.420 nan 0.000 0.222 314 P C 0.943 178.253 177.300 0.017 0.000 1.155 314 P CA 2.395 65.500 63.100 0.009 0.000 0.890 314 P CB 0.008 31.705 31.700 -0.005 0.000 0.790 315 A N -0.911 121.920 122.820 0.018 0.000 2.172 315 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 315 A C 1.159 178.764 177.584 0.034 0.000 1.154 315 A CA 0.813 52.863 52.037 0.022 0.000 0.701 315 A CB -1.551 17.460 19.000 0.018 0.000 0.789 315 A HN 0.229 nan 8.150 nan 0.000 0.465 316 T N 2.321 116.902 114.554 0.044 0.000 2.905 316 T HA 0.281 4.631 4.350 -0.000 0.000 0.299 316 T C 0.813 175.556 174.700 0.071 0.000 1.024 316 T CA 0.834 62.972 62.100 0.062 0.000 1.151 316 T CB 0.227 69.141 68.868 0.077 0.000 0.987 316 T HN 0.621 nan 8.240 nan 0.000 0.535 317 T N 1.806 116.401 114.554 0.068 0.000 2.849 317 T HA 0.251 4.601 4.350 -0.000 0.000 0.284 317 T C 1.423 176.174 174.700 0.086 0.000 1.004 317 T CA -1.053 61.086 62.100 0.065 0.000 1.021 317 T CB 0.562 69.459 68.868 0.048 0.000 1.013 317 T HN 0.177 nan 8.240 nan 0.000 0.527 318 L N 0.849 122.108 121.223 0.060 0.000 2.187 318 L HA 0.063 4.403 4.340 -0.000 0.000 0.213 318 L C 2.216 179.119 176.870 0.055 0.000 1.100 318 L CA 1.240 56.100 54.840 0.033 0.000 0.765 318 L CB -1.422 40.618 42.059 -0.032 0.000 0.904 318 L HN 0.686 nan 8.230 nan 0.000 0.437 319 L N -1.333 119.925 121.223 0.059 0.000 2.240 319 L HA 0.044 4.384 4.340 -0.000 0.000 0.211 319 L C 2.163 179.083 176.870 0.083 0.000 1.106 319 L CA 1.446 56.325 54.840 0.065 0.000 0.793 319 L CB -0.809 41.278 42.059 0.048 0.000 0.927 319 L HN 0.216 nan 8.230 nan 0.000 0.446 320 A N -2.466 120.409 122.820 0.091 0.000 2.348 320 A HA 0.083 4.403 4.320 -0.000 0.000 0.224 320 A C 0.577 178.243 177.584 0.137 0.000 1.227 320 A CA -0.225 51.871 52.037 0.098 0.000 0.885 320 A CB -0.261 18.786 19.000 0.078 0.000 0.933 320 A HN 0.154 nan 8.150 nan 0.000 0.506 321 D N 0.423 120.932 120.400 0.182 0.000 2.343 321 D HA 0.338 4.978 4.640 -0.000 0.000 0.255 321 D C 0.966 177.453 176.300 0.311 0.000 1.187 321 D CA 0.551 54.698 54.000 0.246 0.000 0.875 321 D CB 1.330 42.337 40.800 0.345 0.000 1.136 321 D HN 0.126 nan 8.370 nan 0.000 0.469 322 G N 2.555 111.526 108.800 0.286 0.000 3.233 322 G HA2 0.097 4.057 3.960 -0.000 0.000 0.234 322 G HA3 0.097 4.057 3.960 -0.000 0.000 0.234 322 G C 0.375 175.549 174.900 0.457 0.000 1.137 322 G CA -0.089 45.221 45.100 0.349 0.000 0.763 322 G HN 0.490 nan 8.290 nan 0.000 0.549 323 C N 1.470 120.945 119.300 0.291 0.000 2.366 323 C HA 0.579 5.039 4.460 -0.000 0.000 0.345 323 C C -1.707 173.066 174.990 -0.362 0.000 1.209 323 C CA -1.678 57.348 59.018 0.012 0.000 2.050 323 C CB 2.359 30.095 27.740 -0.007 0.000 2.359 323 C HN 0.263 nan 8.230 nan 0.000 0.527 324 P HA 0.204 nan 4.420 nan 0.000 0.272 324 P C -1.536 175.394 177.300 -0.616 0.000 1.240 324 P CA 0.194 62.691 63.100 -1.005 0.000 0.791 324 P CB 0.557 31.676 31.700 -0.969 0.000 0.978 325 Y N -1.184 118.819 120.300 -0.495 0.000 2.545 325 Y HA 0.388 4.938 4.550 -0.000 0.000 0.348 325 Y C 0.251 175.991 175.900 -0.267 0.000 1.002 325 Y CA -1.151 56.773 58.100 -0.293 0.000 1.039 325 Y CB 2.183 40.543 38.460 -0.166 0.000 1.271 325 Y HN 0.135 nan 8.280 nan 0.000 0.467 326 L N 4.208 125.336 121.223 -0.158 0.000 2.255 326 L HA 0.399 4.738 4.340 -0.000 0.000 0.289 326 L C -1.442 175.281 176.870 -0.245 0.000 1.046 326 L CA -0.303 54.350 54.840 -0.312 0.000 0.816 326 L CB 0.149 41.936 42.059 -0.453 0.000 1.197 326 L HN 0.743 nan 8.230 nan 0.000 0.427 327 Y N 3.292 123.226 120.300 -0.611 0.000 2.335 327 Y HA 0.587 5.137 4.550 -0.000 0.000 0.323 327 Y C 0.408 175.880 175.900 -0.712 0.000 1.224 327 Y CA -0.528 57.111 58.100 -0.769 0.000 1.241 327 Y CB 1.972 39.551 38.460 -1.469 0.000 1.235 327 Y HN 0.674 nan 8.280 nan 0.000 0.492 328 A N 4.891 127.463 122.820 -0.412 0.000 2.459 328 A HA 0.806 5.126 4.320 -0.000 0.000 0.296 328 A C -0.998 176.463 177.584 -0.205 0.000 1.039 328 A CA -0.727 51.030 52.037 -0.466 0.000 0.698 328 A CB 1.069 19.863 19.000 -0.343 0.000 1.261 328 A HN 0.776 nan 8.150 nan 0.000 0.405 329 M N 0.855 120.331 119.600 -0.208 0.000 2.644 329 M HA 0.730 5.210 4.480 -0.000 0.000 0.273 329 M C -1.597 174.615 176.300 -0.148 0.000 1.253 329 M CA -0.889 54.397 55.300 -0.023 0.000 0.852 329 M CB 1.677 34.312 32.600 0.058 0.000 1.708 329 M HN 0.221 nan 8.290 nan 0.000 0.471 330 V N 2.166 122.028 119.914 -0.086 0.000 2.455 330 V HA 0.057 4.177 4.120 -0.000 0.000 0.273 330 V C 0.877 176.953 176.094 -0.030 0.000 1.045 330 V CA 0.199 62.410 62.300 -0.150 0.000 0.976 330 V CB 0.379 32.150 31.823 -0.087 0.000 0.993 330 V HN 1.014 nan 8.190 nan 0.000 0.475 331 H N 3.805 122.805 119.070 -0.118 0.000 2.363 331 H HA -0.069 4.487 4.556 -0.000 0.000 0.301 331 H C 1.413 176.713 175.328 -0.047 0.000 1.074 331 H CA 2.484 58.496 56.048 -0.060 0.000 1.354 331 H CB 0.442 30.175 29.762 -0.049 0.000 1.397 331 H HN 0.890 nan 8.280 nan 0.000 0.516 332 D N -1.371 118.960 120.400 -0.114 0.000 3.136 332 D HA 0.195 4.835 4.640 -0.000 0.000 0.254 332 D C -0.103 176.146 176.300 -0.086 0.000 1.563 332 D CA 0.475 54.391 54.000 -0.141 0.000 1.225 332 D CB 0.170 40.925 40.800 -0.074 0.000 1.079 332 D HN 0.317 nan 8.370 nan 0.000 0.314 333 S N -1.801 113.855 115.700 -0.073 0.000 2.595 333 S HA 0.528 4.998 4.470 -0.000 0.000 0.270 333 S C -1.301 173.253 174.600 -0.075 0.000 1.145 333 S CA -0.950 57.218 58.200 -0.054 0.000 0.825 333 S CB 1.452 64.633 63.200 -0.032 0.000 1.107 333 S HN 0.204 nan 8.310 nan 0.000 0.461 334 S N 0.744 116.423 115.700 -0.036 0.000 2.420 334 S HA 0.665 5.135 4.470 -0.000 0.000 0.313 334 S C -0.573 174.033 174.600 0.010 0.000 1.079 334 S CA -0.339 57.844 58.200 -0.028 0.000 1.104 334 S CB 0.010 63.256 63.200 0.077 0.000 0.969 334 S HN 1.630 nan 8.310 nan 0.000 0.471 335 V N 3.809 123.721 119.914 -0.003 0.000 2.789 335 V HA 0.965 5.084 4.120 -0.000 0.000 0.311 335 V C -0.616 175.500 176.094 0.037 0.000 1.073 335 V CA -0.102 62.208 62.300 0.018 0.000 0.921 335 V CB 2.044 33.866 31.823 -0.003 0.000 1.009 335 V HN 0.846 nan 8.190 nan 0.000 0.426 336 S N 2.326 118.056 115.700 0.051 0.000 2.636 336 S HA 0.568 5.038 4.470 -0.000 0.000 0.268 336 S C 0.346 174.985 174.600 0.065 0.000 1.159 336 S CA 0.242 58.483 58.200 0.069 0.000 0.815 336 S CB 1.844 65.117 63.200 0.122 0.000 1.130 336 S HN 1.467 nan 8.310 nan 0.000 0.471 337 T N 0.183 114.788 114.554 0.085 0.000 3.054 337 T HA 0.384 4.734 4.350 -0.000 0.000 0.255 337 T C 0.709 175.473 174.700 0.107 0.000 1.035 337 T CA 0.077 62.227 62.100 0.083 0.000 0.941 337 T CB -0.795 68.117 68.868 0.074 0.000 1.026 337 T HN 0.670 nan 8.240 nan 0.000 0.533 338 I N -1.143 119.507 120.570 0.132 0.000 2.846 338 I HA 0.737 4.907 4.170 -0.000 0.000 0.307 338 I C -2.989 173.187 176.117 0.099 0.000 1.053 338 I CA -3.247 58.122 61.300 0.115 0.000 1.050 338 I CB 2.010 40.089 38.000 0.130 0.000 1.239 338 I HN -0.301 nan 8.210 nan 0.000 0.439 339 P HA 0.530 nan 4.420 nan 0.000 0.277 339 P C -0.258 177.091 177.300 0.082 0.000 1.240 339 P CA 0.096 63.240 63.100 0.073 0.000 0.798 339 P CB 1.388 33.121 31.700 0.056 0.000 0.979 340 G N 1.103 109.954 108.800 0.085 0.000 2.326 340 G HA2 0.073 4.032 3.960 -0.000 0.000 0.478 340 G HA3 0.073 4.032 3.960 -0.000 0.000 0.478 340 G C -1.693 173.276 174.900 0.114 0.000 1.551 340 G CA -0.801 44.353 45.100 0.089 0.000 0.946 340 G HN 0.422 nan 8.290 nan 0.000 0.671 341 D N -0.206 120.258 120.400 0.107 0.000 2.312 341 D HA 0.503 5.143 4.640 -0.000 0.000 0.248 341 D C -0.029 176.394 176.300 0.205 0.000 1.086 341 D CA -0.058 54.032 54.000 0.150 0.000 0.948 341 D CB 1.318 42.177 40.800 0.100 0.000 1.162 341 D HN 0.284 nan 8.370 nan 0.000 0.446 342 F N 1.321 121.361 119.950 0.149 0.000 2.438 342 F HA 0.329 4.856 4.527 -0.000 0.000 0.356 342 F C -0.720 175.208 175.800 0.213 0.000 1.099 342 F CA -0.353 57.751 58.000 0.173 0.000 1.185 342 F CB 0.537 39.664 39.000 0.211 0.000 1.115 342 F HN -0.070 nan 8.300 nan 0.000 0.526 343 V N 7.981 127.637 119.914 -0.431 0.000 2.588 343 V HA 0.524 4.644 4.120 -0.000 0.000 0.304 343 V C -0.185 175.657 176.094 -0.421 0.000 1.042 343 V CA -0.802 61.326 62.300 -0.287 0.000 0.877 343 V CB 1.667 33.403 31.823 -0.145 0.000 0.996 343 V HN 0.716 nan 8.190 nan 0.000 0.425 344 I N 1.066 121.529 120.570 -0.179 0.000 2.828 344 I HA 1.002 5.172 4.170 -0.000 0.000 0.302 344 I C 0.092 176.216 176.117 0.012 0.000 1.101 344 I CA -0.780 60.470 61.300 -0.082 0.000 1.031 344 I CB 2.508 40.579 38.000 0.118 0.000 1.231 344 I HN 0.650 nan 8.210 nan 0.000 0.427 345 G N 3.531 112.351 108.800 0.032 0.000 2.415 345 G HA2 0.626 4.586 3.960 -0.000 0.000 0.327 345 G HA3 0.626 4.586 3.960 -0.000 0.000 0.327 345 G C -1.067 173.698 174.900 -0.225 0.000 1.182 345 G CA -0.653 44.395 45.100 -0.086 0.000 0.924 345 G HN 0.484 nan 8.290 nan 0.000 0.470 346 V N 1.940 121.534 119.914 -0.533 0.000 2.459 346 V HA 0.576 4.696 4.120 -0.000 0.000 0.295 346 V C 0.020 175.896 176.094 -0.364 0.000 1.029 346 V CA -0.820 61.310 62.300 -0.284 0.000 0.874 346 V CB 1.622 33.349 31.823 -0.158 0.000 0.985 346 V HN 0.758 nan 8.190 nan 0.000 0.438 347 K N 4.614 125.012 120.400 -0.002 0.000 2.507 347 K HA 0.522 4.842 4.320 -0.000 0.000 0.252 347 K C -1.340 175.369 176.600 0.182 0.000 0.943 347 K CA -0.713 55.651 56.287 0.127 0.000 0.808 347 K CB 1.997 34.645 32.500 0.247 0.000 1.142 347 K HN 0.679 nan 8.250 nan 0.000 0.426 348 L N 6.043 127.350 121.223 0.140 0.000 2.363 348 L HA 0.124 4.464 4.340 -0.000 0.000 0.286 348 L C 1.226 178.077 176.870 -0.031 0.000 1.106 348 L CA 0.030 54.812 54.840 -0.096 0.000 0.859 348 L CB 0.772 42.766 42.059 -0.109 0.000 1.223 348 L HN 0.970 nan 8.230 nan 0.000 0.446 349 T N 2.984 117.515 114.554 -0.039 0.000 2.706 349 T HA 0.073 4.423 4.350 -0.000 0.000 0.255 349 T C 0.716 175.416 174.700 0.001 0.000 1.048 349 T CA 0.862 62.965 62.100 0.005 0.000 1.153 349 T CB -0.090 68.791 68.868 0.021 0.000 0.865 349 T HN 0.534 nan 8.240 nan 0.000 0.414 350 I N -1.798 118.769 120.570 -0.006 0.000 3.042 350 I HA 0.712 4.882 4.170 -0.000 0.000 0.310 350 I C -1.553 174.607 176.117 0.073 0.000 1.117 350 I CA -2.017 59.307 61.300 0.040 0.000 1.003 350 I CB 2.465 40.484 38.000 0.031 0.000 1.228 350 I HN 0.033 nan 8.210 nan 0.000 0.443 351 I N 2.528 123.198 120.570 0.168 0.000 2.410 351 I HA 0.402 4.572 4.170 -0.000 0.000 0.286 351 I C -0.516 175.701 176.117 0.167 0.000 1.009 351 I CA -0.347 61.066 61.300 0.189 0.000 1.111 351 I CB 1.775 39.936 38.000 0.269 0.000 1.262 351 I HN 0.650 nan 8.210 nan 0.000 0.443 352 E N 4.694 124.970 120.200 0.126 0.000 2.214 352 E HA 0.344 4.694 4.350 -0.000 0.000 0.274 352 E C -0.418 176.234 176.600 0.087 0.000 0.977 352 E CA -0.716 55.742 56.400 0.097 0.000 0.827 352 E CB 0.977 30.724 29.700 0.078 0.000 1.130 352 E HN 0.539 nan 8.360 nan 0.000 0.394 353 N N 1.193 119.927 118.700 0.057 0.000 2.716 353 N HA -0.228 4.512 4.740 -0.000 0.000 0.250 353 N C -0.305 175.216 175.510 0.017 0.000 1.033 353 N CA 0.208 53.277 53.050 0.032 0.000 0.727 353 N CB -0.900 37.614 38.487 0.045 0.000 0.950 353 N HN 0.501 nan 8.380 nan 0.000 0.541 354 M N 0.196 119.798 119.600 0.004 0.000 2.232 354 M HA 0.278 4.758 4.480 -0.000 0.000 0.321 354 M C -0.132 176.081 176.300 -0.145 0.000 1.101 354 M CA 0.253 55.529 55.300 -0.040 0.000 1.181 354 M CB 0.699 33.269 32.600 -0.051 0.000 1.432 354 M HN 0.422 nan 8.290 nan 0.000 0.457 355 C N 3.974 123.155 119.300 -0.199 0.000 2.607 355 C HA 0.831 5.291 4.460 -0.000 0.000 0.350 355 C C -0.718 174.010 174.990 -0.437 0.000 1.101 355 C CA -0.347 58.471 59.018 -0.334 0.000 1.282 355 C CB 0.313 27.909 27.740 -0.241 0.000 1.825 355 C HN 0.958 nan 8.230 nan 0.000 0.460 356 A N 4.694 127.137 122.820 -0.629 0.000 2.380 356 A HA 0.941 5.260 4.320 -0.000 0.000 0.315 356 A C -1.850 175.372 177.584 -0.603 0.000 1.101 356 A CA -0.391 51.338 52.037 -0.514 0.000 0.771 356 A CB 1.013 19.577 19.000 -0.726 0.000 1.287 356 A HN 0.871 nan 8.150 nan 0.000 0.436 357 Y N 0.261 120.573 120.300 0.020 0.000 2.442 357 Y HA 0.575 5.125 4.550 -0.000 0.000 0.344 357 Y C 0.877 176.863 175.900 0.143 0.000 0.976 357 Y CA 0.087 58.235 58.100 0.079 0.000 1.040 357 Y CB 2.085 40.634 38.460 0.148 0.000 1.228 357 Y HN 1.597 nan 8.280 nan 0.000 0.451 358 G N 1.727 110.676 108.800 0.249 0.000 2.916 358 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.533 358 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.533 358 G C -1.703 173.289 174.900 0.153 0.000 1.516 358 G CA -0.957 44.254 45.100 0.185 0.000 0.944 358 G HN 0.455 nan 8.290 nan 0.000 0.555 359 L N 1.076 122.365 121.223 0.111 0.000 2.322 359 L HA 0.477 4.817 4.340 -0.000 0.000 0.279 359 L C 0.847 177.740 176.870 0.038 0.000 1.036 359 L CA -0.865 54.032 54.840 0.094 0.000 0.807 359 L CB 1.588 43.691 42.059 0.074 0.000 1.226 359 L HN 0.775 nan 8.230 nan 0.000 0.433 360 N N 3.437 122.142 118.700 0.008 0.000 2.426 360 N HA 0.269 5.009 4.740 -0.000 0.000 0.257 360 N C -1.770 173.718 175.510 -0.036 0.000 1.002 360 N CA -1.182 51.844 53.050 -0.039 0.000 0.942 360 N CB 1.696 40.138 38.487 -0.075 0.000 1.112 360 N HN 0.399 nan 8.380 nan 0.000 0.499 361 P HA 0.137 nan 4.420 nan 0.000 0.219 361 P C -0.145 177.137 177.300 -0.031 0.000 1.150 361 P CA 0.474 63.561 63.100 -0.022 0.000 0.814 361 P CB 0.095 31.787 31.700 -0.014 0.000 0.787 362 G N -0.637 108.139 108.800 -0.041 0.000 2.674 362 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.686 362 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.686 362 G C -1.081 173.799 174.900 -0.033 0.000 1.195 362 G CA -0.926 44.148 45.100 -0.044 0.000 0.776 362 G HN 0.107 nan 8.290 nan 0.000 0.654 363 I N 0.738 121.288 120.570 -0.033 0.000 2.569 363 I HA 0.511 4.680 4.170 -0.000 0.000 0.296 363 I C 0.727 176.829 176.117 -0.024 0.000 1.028 363 I CA -0.933 60.354 61.300 -0.022 0.000 1.082 363 I CB 2.158 40.148 38.000 -0.016 0.000 1.264 363 I HN 0.608 nan 8.210 nan 0.000 0.429 364 S N 3.866 119.555 115.700 -0.019 0.000 2.481 364 S HA 0.594 5.064 4.470 -0.000 0.000 0.276 364 S C 0.199 174.786 174.600 -0.021 0.000 1.247 364 S CA 0.590 58.778 58.200 -0.021 0.000 1.053 364 S CB 0.119 63.309 63.200 -0.016 0.000 0.925 364 S HN 1.061 nan 8.310 nan 0.000 0.491 365 G N 3.461 112.244 108.800 -0.028 0.000 2.828 365 G HA2 0.034 3.994 3.960 -0.000 0.000 0.463 365 G HA3 0.034 3.994 3.960 -0.000 0.000 0.463 365 G C -0.409 174.470 174.900 -0.036 0.000 1.394 365 G CA -0.342 44.738 45.100 -0.032 0.000 0.862 365 G HN 1.993 nan 8.290 nan 0.000 0.540 366 S N -1.127 114.547 115.700 -0.044 0.000 2.588 366 S HA 0.788 5.258 4.470 -0.000 0.000 0.269 366 S C -0.278 174.291 174.600 -0.051 0.000 1.157 366 S CA -0.770 57.402 58.200 -0.047 0.000 0.824 366 S CB 1.619 64.780 63.200 -0.064 0.000 1.126 366 S HN 1.034 nan 8.310 nan 0.000 0.464 367 R N 0.346 120.819 120.500 -0.045 0.000 2.641 367 R HA 0.423 4.763 4.340 -0.000 0.000 0.269 367 R C -0.480 175.781 176.300 -0.065 0.000 1.074 367 R CA -0.496 55.578 56.100 -0.042 0.000 1.133 367 R CB 0.052 30.336 30.300 -0.026 0.000 1.029 367 R HN 0.545 nan 8.270 nan 0.000 0.488 368 L N 2.495 123.685 121.223 -0.055 0.000 2.397 368 L HA 0.114 4.454 4.340 -0.000 0.000 0.271 368 L C 0.276 177.114 176.870 -0.054 0.000 1.148 368 L CA -0.564 54.238 54.840 -0.063 0.000 0.825 368 L CB 0.084 42.116 42.059 -0.044 0.000 1.117 368 L HN 0.219 nan 8.230 nan 0.000 0.456 369 L N 1.522 122.712 121.223 -0.054 0.000 2.505 369 L HA 0.445 4.785 4.340 -0.000 0.000 0.226 369 L C 1.028 177.897 176.870 -0.002 0.000 1.211 369 L CA 0.235 55.062 54.840 -0.022 0.000 0.828 369 L CB 0.079 42.162 42.059 0.039 0.000 1.331 369 L HN 0.671 nan 8.230 nan 0.000 0.513 370 G N 0.000 108.796 108.800 -0.006 0.000 5.446 370 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 370 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 370 G CA 0.000 45.094 45.100 -0.010 0.000 0.502 370 G HN 0.000 nan 8.290 nan 0.000 0.925