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 1aev_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPGGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLEDG ITFPKDAPSP FIFKTLEEQG L 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.673 176.870 -0.328 0.000 1.165 4 L CA 0.000 54.702 54.840 -0.230 0.000 0.813 4 L CB 0.000 41.878 42.059 -0.301 0.000 0.961 5 V N 1.511 121.215 119.914 -0.350 0.000 2.630 5 V HA 0.314 nan 4.120 nan 0.000 0.305 5 V C -1.296 174.478 176.094 -0.533 0.000 1.046 5 V CA -1.497 60.594 62.300 -0.348 0.000 0.934 5 V CB 1.696 33.405 31.823 -0.190 0.000 1.003 5 V HN 0.008 8.033 8.190 -0.274 0.000 0.451 6 H N 3.469 122.327 119.070 -0.354 0.000 2.991 6 H HA 0.268 nan 4.556 nan 0.000 0.304 6 H C -1.359 173.589 175.328 -0.634 0.000 1.040 6 H CA -0.960 54.667 56.048 -0.701 0.000 1.410 6 H CB 1.301 30.262 29.762 -1.335 0.000 1.529 6 H HN 0.429 8.504 8.280 -0.341 0.000 0.509 7 V N 3.707 123.489 119.914 -0.221 0.000 2.498 7 V HA 0.284 nan 4.120 nan 0.000 0.279 7 V C -0.770 175.324 176.094 -0.001 0.000 1.048 7 V CA -0.981 61.237 62.300 -0.136 0.000 0.967 7 V CB 0.322 32.112 31.823 -0.055 0.000 0.988 7 V HN 0.536 8.655 8.190 -0.118 0.000 0.473 8 A N 7.677 130.429 122.820 -0.113 0.000 2.454 8 A HA 0.068 nan 4.320 nan 0.000 0.260 8 A C -1.421 176.214 177.584 0.085 0.000 1.106 8 A CA 0.031 52.076 52.037 0.013 0.000 0.780 8 A CB 0.509 19.404 19.000 -0.174 0.000 1.044 8 A HN 0.640 8.611 8.150 -0.298 0.000 0.498 9 S N 4.286 120.058 115.700 0.119 0.000 2.594 9 S HA 0.101 nan 4.470 nan 0.000 0.322 9 S C -0.617 174.058 174.600 0.126 0.000 1.085 9 S CA -1.201 57.064 58.200 0.108 0.000 1.116 9 S CB 0.929 64.192 63.200 0.106 0.000 0.979 9 S HN 0.001 8.392 8.310 0.134 0.000 0.465 10 V N 5.923 125.923 119.914 0.142 0.000 2.752 10 V HA -0.183 nan 4.120 nan 0.000 0.306 10 V C 0.334 176.557 176.094 0.215 0.000 1.099 10 V CA 0.526 62.948 62.300 0.204 0.000 1.240 10 V CB 0.237 32.187 31.823 0.211 0.000 0.887 10 V HN 0.258 8.523 8.190 0.124 0.000 0.499 11 E N 5.934 126.320 120.200 0.309 0.000 2.558 11 E HA -0.199 nan 4.350 nan 0.000 0.255 11 E C -0.282 176.407 176.600 0.147 0.000 0.968 11 E CA 0.691 57.255 56.400 0.273 0.000 0.939 11 E CB 0.480 30.448 29.700 0.446 0.000 0.921 11 E HN 0.302 8.913 8.360 0.417 0.000 0.477 12 K N 6.607 127.066 120.400 0.098 0.000 2.402 12 K HA -0.330 nan 4.320 nan 0.000 0.279 12 K C 0.491 177.074 176.600 -0.028 0.000 1.082 12 K CA 1.435 57.748 56.287 0.043 0.000 1.080 12 K CB -0.200 32.325 32.500 0.042 0.000 0.899 12 K HN 0.553 8.873 8.250 0.117 0.000 0.469 13 G N 3.899 112.682 108.800 -0.027 0.000 2.175 13 G HA2 -0.322 nan 3.960 nan 0.000 0.244 13 G HA3 -0.322 nan 3.960 nan 0.000 0.244 13 G C -0.251 174.564 174.900 -0.141 0.000 0.982 13 G CA -0.126 44.928 45.100 -0.076 0.000 0.641 13 G HN 0.216 8.515 8.290 0.016 0.000 0.527 14 R N 0.620 121.036 120.500 -0.140 0.000 2.312 14 R HA 0.337 nan 4.340 nan 0.000 0.311 14 R C -0.691 175.604 176.300 -0.008 0.000 1.004 14 R CA -1.703 54.241 56.100 -0.260 0.000 0.902 14 R CB 0.732 30.758 30.300 -0.456 0.000 1.073 14 R HN -0.394 7.803 8.270 -0.047 0.044 0.457 15 S N 5.077 120.752 115.700 -0.040 0.000 2.801 15 S HA 0.395 nan 4.470 nan 0.000 0.312 15 S C 0.329 174.999 174.600 0.118 0.000 1.112 15 S CA -1.279 57.007 58.200 0.144 0.000 0.943 15 S CB 1.883 65.137 63.200 0.089 0.000 1.269 15 S HN 0.159 8.652 8.310 -0.178 -0.290 0.558 16 Y N 1.972 122.195 120.300 -0.127 0.000 2.102 16 Y HA -0.443 nan 4.550 nan 0.000 0.280 16 Y C 1.132 176.944 175.900 -0.148 0.000 1.178 16 Y CA 3.664 61.457 58.100 -0.511 0.000 1.146 16 Y CB 0.061 38.241 38.460 -0.467 0.000 0.968 16 Y HN 0.428 8.840 8.280 0.220 0.000 0.504 17 E N -3.078 116.898 120.200 -0.373 0.000 2.204 17 E HA -0.365 nan 4.350 nan 0.000 0.195 17 E C 2.446 178.874 176.600 -0.286 0.000 0.990 17 E CA 3.141 59.311 56.400 -0.383 0.000 0.821 17 E CB -0.816 28.788 29.700 -0.161 0.000 0.750 17 E HN -0.041 8.257 8.360 -0.103 0.000 0.477 18 D N -0.096 120.146 120.400 -0.264 0.000 2.117 18 D HA -0.205 nan 4.640 nan 0.000 0.198 18 D C 2.167 178.350 176.300 -0.196 0.000 0.982 18 D CA 3.697 57.540 54.000 -0.262 0.000 0.828 18 D CB -0.094 40.352 40.800 -0.590 0.000 0.967 18 D HN -0.383 7.813 8.370 -0.252 0.023 0.464 19 F N -0.597 119.344 119.950 -0.015 0.000 2.186 19 F HA -0.186 nan 4.527 nan 0.000 0.299 19 F C 2.126 177.657 175.800 -0.449 0.000 1.090 19 F CA 2.930 60.887 58.000 -0.071 0.000 1.307 19 F CB -0.380 38.771 39.000 0.252 0.000 1.019 19 F HN -1.007 7.211 8.300 -0.137 0.000 0.489 20 Q N -0.675 118.942 119.800 -0.305 0.000 2.181 20 Q HA -0.392 nan 4.340 nan 0.000 0.205 20 Q C 2.124 177.946 176.000 -0.297 0.000 0.980 20 Q CA 3.272 58.827 55.803 -0.413 0.000 0.862 20 Q CB -0.623 27.825 28.738 -0.485 0.000 0.905 20 Q HN 0.204 8.295 8.270 -0.299 0.000 0.429 21 K N -0.541 119.705 120.400 -0.257 0.000 2.103 21 K HA -0.264 nan 4.320 nan 0.000 0.204 21 K C 2.427 178.748 176.600 -0.467 0.000 1.052 21 K CA 3.284 59.449 56.287 -0.203 0.000 0.945 21 K CB -0.127 32.356 32.500 -0.030 0.000 0.722 21 K HN -0.587 7.433 8.250 -0.247 0.082 0.443 22 V N 0.437 119.889 119.914 -0.770 0.000 2.358 22 V HA -0.355 nan 4.120 nan 0.000 0.246 22 V C 1.695 177.491 176.094 -0.497 0.000 1.047 22 V CA 4.442 66.173 62.300 -0.949 0.000 1.035 22 V CB -1.092 30.234 31.823 -0.828 0.000 0.658 22 V HN -0.531 7.226 8.190 -0.606 0.069 0.452 23 Y N -0.083 119.857 120.300 -0.599 0.000 2.097 23 Y HA -0.603 nan 4.550 nan 0.000 0.282 23 Y C 1.455 177.171 175.900 -0.307 0.000 1.152 23 Y CA 3.576 61.361 58.100 -0.526 0.000 1.136 23 Y CB -0.186 37.816 38.460 -0.764 0.000 0.975 23 Y HN 0.245 8.247 8.280 -0.463 0.000 0.498 24 N N -1.100 117.644 118.700 0.073 0.000 2.149 24 N HA -0.519 nan 4.740 nan 0.000 0.188 24 N C 2.098 177.597 175.510 -0.018 0.000 1.019 24 N CA 3.051 56.140 53.050 0.066 0.000 0.857 24 N CB -0.175 38.331 38.487 0.033 0.000 0.997 24 N HN 0.030 8.413 8.380 0.005 0.000 0.426 25 A N 0.578 123.362 122.820 -0.061 0.000 1.873 25 A HA -0.224 nan 4.320 nan 0.000 0.215 25 A C 1.969 179.496 177.584 -0.095 0.000 1.186 25 A CA 2.953 54.973 52.037 -0.028 0.000 0.616 25 A CB -0.568 18.487 19.000 0.091 0.000 0.823 25 A HN -0.286 7.795 8.150 -0.114 0.000 0.442 26 I N -0.914 119.565 120.570 -0.151 0.000 2.127 26 I HA -0.618 nan 4.170 nan 0.000 0.241 26 I C 1.736 177.817 176.117 -0.061 0.000 1.075 26 I CA 4.344 65.581 61.300 -0.106 0.000 1.334 26 I CB -0.240 37.653 38.000 -0.179 0.000 1.040 26 I HN -0.249 7.840 8.210 -0.202 0.000 0.405 27 A N -0.846 121.880 122.820 -0.156 0.000 1.972 27 A HA -0.240 nan 4.320 nan 0.000 0.219 27 A C 2.256 179.838 177.584 -0.003 0.000 1.169 27 A CA 3.154 55.132 52.037 -0.099 0.000 0.635 27 A CB -0.680 18.246 19.000 -0.123 0.000 0.810 27 A HN 0.081 8.081 8.150 -0.250 0.000 0.446 28 L N -2.011 119.209 121.223 -0.005 0.000 2.109 28 L HA -0.237 nan 4.340 nan 0.000 0.207 28 L C 1.991 178.863 176.870 0.004 0.000 1.086 28 L CA 2.067 56.911 54.840 0.007 0.000 0.760 28 L CB -1.117 40.940 42.059 -0.003 0.000 0.910 28 L HN -0.001 8.216 8.230 -0.023 0.000 0.437 29 K N 0.206 120.588 120.400 -0.031 0.000 2.155 29 K HA -0.243 nan 4.320 nan 0.000 0.203 29 K C 2.489 179.181 176.600 0.153 0.000 1.052 29 K CA 3.275 59.521 56.287 -0.068 0.000 0.948 29 K CB -0.179 32.101 32.500 -0.367 0.000 0.728 29 K HN -0.601 7.615 8.250 -0.057 0.000 0.448 30 L N -1.909 119.468 121.223 0.256 0.000 2.017 30 L HA -0.376 nan 4.340 nan 0.000 0.208 30 L C 1.797 178.762 176.870 0.158 0.000 1.073 30 L CA 2.933 57.917 54.840 0.240 0.000 0.745 30 L CB -0.324 41.801 42.059 0.110 0.000 0.894 30 L HN 0.011 8.368 8.230 0.211 0.000 0.432 31 R N -2.554 118.009 120.500 0.105 0.000 2.083 31 R HA -0.321 nan 4.340 nan 0.000 0.237 31 R C 1.815 178.172 176.300 0.095 0.000 1.137 31 R CA 2.578 58.731 56.100 0.088 0.000 0.951 31 R CB 0.030 30.369 30.300 0.065 0.000 0.851 31 R HN -0.706 7.616 8.270 0.086 0.000 0.434 32 E N -1.978 118.274 120.200 0.086 0.000 2.016 32 E HA -0.171 nan 4.350 nan 0.000 0.190 32 E C 1.791 178.455 176.600 0.108 0.000 0.985 32 E CA 2.241 58.687 56.400 0.077 0.000 0.802 32 E CB 0.409 30.130 29.700 0.036 0.000 0.762 32 E HN -0.608 7.797 8.360 0.075 0.000 0.448 33 D N 0.498 120.992 120.400 0.156 0.000 2.934 33 D HA 0.092 nan 4.640 nan 0.000 0.237 33 D C 0.085 176.524 176.300 0.231 0.000 1.158 33 D CA -0.170 53.964 54.000 0.222 0.000 0.971 33 D CB -1.940 39.062 40.800 0.336 0.000 1.123 33 D HN -0.216 8.253 8.370 0.165 0.000 0.467 34 D N -1.004 119.474 120.400 0.130 0.000 2.347 34 D HA -0.255 nan 4.640 nan 0.000 0.215 34 D C 0.061 176.276 176.300 -0.142 0.000 0.976 34 D CA 1.946 55.997 54.000 0.084 0.000 0.884 34 D CB -0.219 40.668 40.800 0.145 0.000 0.915 34 D HN -0.084 8.277 8.370 0.124 0.083 0.526 35 E N -2.512 117.510 120.200 -0.297 0.000 2.285 35 E HA -0.272 nan 4.350 nan 0.000 0.194 35 E C 0.321 176.591 176.600 -0.551 0.000 0.997 35 E CA 0.085 55.967 56.400 -0.863 0.000 0.845 35 E CB -0.988 28.410 29.700 -0.504 0.000 0.782 35 E HN 0.063 8.308 8.360 -0.089 0.061 0.491 36 Y N 4.051 124.129 120.300 -0.370 0.000 2.904 36 Y HA -0.377 nan 4.550 nan 0.000 0.336 36 Y C -1.022 174.676 175.900 -0.338 0.000 1.263 36 Y CA 1.638 59.496 58.100 -0.405 0.000 1.547 36 Y CB 0.292 38.256 38.460 -0.827 0.000 1.272 36 Y HN -0.985 7.277 8.280 -0.029 0.000 0.596 37 D N 6.638 126.461 120.400 -0.962 0.000 2.812 37 D HA -0.471 nan 4.640 nan 0.000 0.237 37 D C -0.953 175.175 176.300 -0.288 0.000 1.162 37 D CA 1.050 54.642 54.000 -0.680 0.000 0.740 37 D CB -0.808 39.460 40.800 -0.887 0.000 1.000 37 D HN 0.442 8.244 8.370 -0.947 0.000 0.416 38 N N -2.601 115.998 118.700 -0.170 0.000 2.725 38 N HA -0.418 nan 4.740 nan 0.000 0.251 38 N C -0.890 174.708 175.510 0.148 0.000 1.031 38 N CA 1.304 54.370 53.050 0.027 0.000 0.720 38 N CB -1.087 37.422 38.487 0.038 0.000 0.930 38 N HN 0.449 8.714 8.380 -0.192 0.000 0.543 39 Y N -9.296 110.977 120.300 -0.044 0.000 4.409 39 Y HA -0.485 nan 4.550 nan 0.000 0.228 39 Y C 0.171 176.068 175.900 -0.005 0.000 1.108 39 Y CA 1.407 59.502 58.100 -0.007 0.000 1.955 39 Y CB -2.177 36.286 38.460 0.006 0.000 1.615 39 Y HN -0.238 7.723 8.280 -0.386 0.087 0.665 40 I N -2.526 118.047 120.570 0.006 0.000 2.406 40 I HA -0.263 nan 4.170 nan 0.000 0.249 40 I C 0.668 176.799 176.117 0.023 0.000 1.122 40 I CA 1.821 63.127 61.300 0.011 0.000 1.431 40 I CB 0.630 38.612 38.000 -0.030 0.000 1.087 40 I HN -0.737 7.372 8.210 -0.063 0.064 0.424 41 G N -2.805 105.993 108.800 -0.004 0.000 2.781 41 G HA2 -0.297 nan 3.960 nan 0.000 0.683 41 G HA3 -0.297 nan 3.960 nan 0.000 0.683 41 G C -0.457 174.489 174.900 0.077 0.000 1.390 41 G CA -0.576 44.560 45.100 0.060 0.000 0.850 41 G HN -0.455 7.786 8.290 -0.081 0.000 0.557 42 Y N 0.293 120.578 120.300 -0.026 0.000 2.578 42 Y HA -0.171 nan 4.550 nan 0.000 0.297 42 Y C 1.423 177.158 175.900 -0.275 0.000 1.176 42 Y CA 1.807 59.745 58.100 -0.269 0.000 1.315 42 Y CB -0.384 37.575 38.460 -0.836 0.000 1.031 42 Y HN 0.513 8.955 8.280 0.269 0.000 0.524 43 G N 0.210 108.987 108.800 -0.039 0.000 2.514 43 G HA2 -0.314 nan 3.960 nan 0.000 0.217 43 G HA3 -0.314 nan 3.960 nan 0.000 0.217 43 G C -1.306 173.583 174.900 -0.018 0.000 1.198 43 G CA 2.314 47.383 45.100 -0.052 0.000 0.780 43 G HN 0.606 8.836 8.290 0.007 0.064 0.565 44 P HA -0.216 nan 4.420 nan 0.000 0.215 44 P C 0.924 178.255 177.300 0.053 0.000 1.157 44 P CA 2.650 65.774 63.100 0.041 0.000 0.868 44 P CB -0.610 31.116 31.700 0.042 0.000 0.788 45 V N -3.516 116.431 119.914 0.056 0.000 2.759 45 V HA -0.254 nan 4.120 nan 0.000 0.256 45 V C 1.631 177.720 176.094 -0.008 0.000 1.080 45 V CA 2.692 65.017 62.300 0.042 0.000 1.101 45 V CB -0.679 31.190 31.823 0.078 0.000 0.698 45 V HN -0.173 8.064 8.190 0.077 0.000 0.477 46 L N -1.107 120.091 121.223 -0.042 0.000 2.109 46 L HA -0.263 nan 4.340 nan 0.000 0.207 46 L C 1.699 178.601 176.870 0.053 0.000 1.086 46 L CA 3.285 58.096 54.840 -0.048 0.000 0.760 46 L CB -0.477 41.505 42.059 -0.129 0.000 0.910 46 L HN -0.385 7.788 8.230 -0.061 0.021 0.437 47 V N -1.153 118.812 119.914 0.086 0.000 2.719 47 V HA -0.322 nan 4.120 nan 0.000 0.252 47 V C 1.213 177.479 176.094 0.287 0.000 1.065 47 V CA 3.329 65.752 62.300 0.204 0.000 1.086 47 V CB -0.711 31.177 31.823 0.108 0.000 0.700 47 V HN -0.045 8.172 8.190 0.045 0.000 0.467 48 R N 0.544 121.166 120.500 0.203 0.000 2.115 48 R HA -0.285 nan 4.340 nan 0.000 0.230 48 R C 1.813 178.149 176.300 0.059 0.000 1.111 48 R CA 3.305 59.546 56.100 0.234 0.000 0.976 48 R CB -0.067 30.285 30.300 0.087 0.000 0.870 48 R HN -0.246 8.106 8.270 0.137 0.000 0.445 49 L N -0.514 120.688 121.223 -0.034 0.000 2.027 49 L HA -0.256 nan 4.340 nan 0.000 0.206 49 L C 1.024 177.856 176.870 -0.063 0.000 1.074 49 L CA 2.934 57.668 54.840 -0.178 0.000 0.745 49 L CB -0.558 41.371 42.059 -0.217 0.000 0.898 49 L HN -0.107 8.115 8.230 -0.014 0.000 0.433 50 A N -1.029 121.855 122.820 0.108 0.000 1.940 50 A HA -0.321 nan 4.320 nan 0.000 0.219 50 A C 2.050 179.774 177.584 0.233 0.000 1.176 50 A CA 2.946 55.093 52.037 0.182 0.000 0.631 50 A CB -0.831 18.340 19.000 0.284 0.000 0.814 50 A HN -0.290 7.939 8.150 0.131 0.000 0.446 51 W N -1.501 119.944 121.300 0.242 0.000 2.409 51 W HA -0.390 nan 4.660 nan 0.000 0.299 51 W C 1.282 177.960 176.519 0.267 0.000 1.203 51 W CA 2.908 60.421 57.345 0.280 0.000 1.298 51 W CB 0.020 29.713 29.460 0.388 0.000 1.127 51 W HN -0.374 8.142 8.180 0.561 0.000 0.528 52 H N -0.868 117.850 119.070 -0.588 0.000 2.423 52 H HA -0.316 nan 4.556 nan 0.000 0.297 52 H C 2.189 177.296 175.328 -0.368 0.000 1.075 52 H CA 3.131 58.785 56.048 -0.657 0.000 1.342 52 H CB 0.850 30.334 29.762 -0.462 0.000 1.395 52 H HN -0.409 7.851 8.280 -0.034 0.000 0.530 53 I N -6.165 114.322 120.570 -0.138 0.000 2.928 53 I HA -0.101 nan 4.170 nan 0.000 0.266 53 I C 0.898 177.022 176.117 0.011 0.000 1.234 53 I CA 1.791 63.065 61.300 -0.044 0.000 1.483 53 I CB -0.307 37.692 38.000 -0.002 0.000 1.097 53 I HN -0.330 7.801 8.210 -0.133 0.000 0.455 54 S N 1.116 116.808 115.700 -0.012 0.000 2.470 54 S HA -0.047 nan 4.470 nan 0.000 0.222 54 S C 2.140 176.772 174.600 0.054 0.000 1.024 54 S CA 3.623 61.844 58.200 0.035 0.000 0.931 54 S CB 0.312 63.553 63.200 0.067 0.000 0.791 54 S HN -0.636 7.639 8.310 -0.027 0.019 0.513 55 G N 0.703 109.428 108.800 -0.125 0.000 2.848 55 G HA2 -0.065 nan 3.960 nan 0.000 0.208 55 G HA3 -0.065 nan 3.960 nan 0.000 0.208 55 G C -0.534 174.322 174.900 -0.073 0.000 1.152 55 G CA 1.811 46.806 45.100 -0.175 0.000 0.789 55 G HN 0.123 8.247 8.290 -0.276 0.000 0.531 56 T N -3.059 111.475 114.554 -0.033 0.000 3.148 56 T HA -0.063 nan 4.350 nan 0.000 0.253 56 T C 0.030 174.790 174.700 0.100 0.000 1.134 56 T CA -0.640 61.472 62.100 0.021 0.000 1.051 56 T CB -0.880 68.012 68.868 0.040 0.000 0.959 56 T HN -0.326 7.818 8.240 -0.046 0.068 0.525 57 W N 2.359 123.630 121.300 -0.048 0.000 2.190 57 W HA -0.097 nan 4.660 nan 0.000 0.330 57 W C -2.044 174.428 176.519 -0.079 0.000 1.299 57 W CA 0.602 57.925 57.345 -0.037 0.000 1.215 57 W CB 0.784 30.234 29.460 -0.018 0.000 1.147 57 W HN -0.731 7.541 8.180 0.269 0.070 0.563 58 D N 7.346 127.326 120.400 -0.698 0.000 2.471 58 D HA 0.323 nan 4.640 nan 0.000 0.245 58 D C 0.208 175.683 176.300 -1.376 0.000 1.116 58 D CA -1.735 51.759 54.000 -0.844 0.000 0.853 58 D CB 2.137 42.710 40.800 -0.378 0.000 1.123 58 D HN 0.469 8.505 8.370 -0.557 0.000 0.540 59 K N 6.163 125.561 120.400 -1.670 0.000 2.360 59 K HA -0.324 nan 4.320 nan 0.000 0.201 59 K C 0.887 177.059 176.600 -0.713 0.000 1.046 59 K CA 2.112 57.542 56.287 -1.428 0.000 0.940 59 K CB -0.189 31.720 32.500 -0.986 0.000 0.748 59 K HN 0.415 7.776 8.250 -1.481 0.000 0.465 60 H N -1.246 117.583 119.070 -0.401 0.000 2.415 60 H HA -0.063 nan 4.556 nan 0.000 0.297 60 H C 1.025 176.252 175.328 -0.169 0.000 1.048 60 H CA 1.702 57.616 56.048 -0.224 0.000 1.365 60 H CB 0.625 30.277 29.762 -0.184 0.000 1.421 60 H HN -0.226 7.824 8.280 -0.706 -0.194 0.533 61 D N -5.062 115.287 120.400 -0.085 0.000 2.503 61 D HA 0.006 nan 4.640 nan 0.000 0.218 61 D C -0.026 176.241 176.300 -0.055 0.000 1.183 61 D CA -0.932 53.034 54.000 -0.057 0.000 0.827 61 D CB 0.169 40.947 40.800 -0.037 0.000 1.034 61 D HN -0.605 7.662 8.370 -0.172 0.000 0.510 62 N N -1.990 116.656 118.700 -0.091 0.000 2.708 62 N HA -0.459 nan 4.740 nan 0.000 0.251 62 N C -1.097 174.551 175.510 0.230 0.000 1.123 62 N CA 1.279 54.397 53.050 0.114 0.000 0.739 62 N CB -0.785 37.767 38.487 0.108 0.000 1.113 62 N HN -0.202 8.046 8.380 -0.221 0.000 0.561 63 T N -6.119 108.485 114.554 0.083 0.000 2.899 63 T HA 0.320 nan 4.350 nan 0.000 0.284 63 T C -0.439 174.396 174.700 0.225 0.000 1.004 63 T CA -1.321 60.878 62.100 0.166 0.000 1.043 63 T CB 1.978 70.889 68.868 0.071 0.000 1.013 63 T HN -0.779 7.643 8.240 -0.059 -0.217 0.518 64 G N 3.668 112.613 108.800 0.242 0.000 2.642 64 G HA2 -0.445 nan 3.960 nan 0.000 0.231 64 G HA3 -0.445 nan 3.960 nan 0.000 0.231 64 G C -0.720 174.371 174.900 0.319 0.000 1.338 64 G CA -0.440 44.803 45.100 0.238 0.000 0.883 64 G HN 0.342 8.765 8.290 0.223 0.000 0.570 65 G N -0.901 108.059 108.800 0.266 0.000 2.796 65 G HA2 -0.327 nan 3.960 nan 0.000 0.571 65 G HA3 -0.327 nan 3.960 nan 0.000 0.571 65 G C 0.538 175.489 174.900 0.085 0.000 1.370 65 G CA -0.354 44.834 45.100 0.147 0.000 0.856 65 G HN -0.103 8.283 8.290 0.224 0.039 0.538 66 S N 0.236 115.961 115.700 0.042 0.000 2.515 66 S HA -0.217 nan 4.470 nan 0.000 0.231 66 S C 1.545 176.195 174.600 0.084 0.000 0.987 66 S CA 2.475 60.725 58.200 0.083 0.000 0.936 66 S CB 0.197 63.439 63.200 0.070 0.000 0.766 66 S HN 0.481 8.781 8.310 -0.017 0.000 0.528 67 Y N 3.828 124.066 120.300 -0.104 0.000 2.114 67 Y HA -0.407 nan 4.550 nan 0.000 0.282 67 Y C 0.551 176.402 175.900 -0.082 0.000 1.165 67 Y CA 2.931 60.941 58.100 -0.151 0.000 1.148 67 Y CB -0.005 38.243 38.460 -0.353 0.000 0.972 67 Y HN -0.016 8.261 8.280 0.083 0.053 0.504 68 G N -6.619 102.212 108.800 0.052 0.000 2.813 68 G HA2 -0.104 nan 3.960 nan 0.000 0.209 68 G HA3 -0.104 nan 3.960 nan 0.000 0.209 68 G C 0.020 174.973 174.900 0.087 0.000 1.150 68 G CA -0.317 44.821 45.100 0.063 0.000 0.785 68 G HN 0.054 8.413 8.290 0.116 0.000 0.535 69 G N -0.355 108.516 108.800 0.118 0.000 2.258 69 G HA2 -0.495 nan 3.960 nan 0.000 0.274 69 G HA3 -0.495 nan 3.960 nan 0.000 0.274 69 G C 0.506 175.579 174.900 0.288 0.000 1.021 69 G CA 1.229 46.456 45.100 0.213 0.000 0.798 69 G HN -0.525 7.758 8.290 0.098 0.066 0.507 70 T N -4.130 110.609 114.554 0.309 0.000 3.098 70 T HA -0.281 nan 4.350 nan 0.000 0.266 70 T C 1.085 175.984 174.700 0.332 0.000 1.145 70 T CA 1.207 63.541 62.100 0.390 0.000 1.092 70 T CB -1.085 68.039 68.868 0.427 0.000 0.908 70 T HN 0.124 8.513 8.240 0.285 0.023 0.526 71 Y N 4.284 124.698 120.300 0.190 0.000 2.315 71 Y HA -0.388 nan 4.550 nan 0.000 0.288 71 Y C 0.160 176.094 175.900 0.058 0.000 1.154 71 Y CA 1.449 59.609 58.100 0.099 0.000 1.229 71 Y CB -0.568 37.855 38.460 -0.061 0.000 0.980 71 Y HN -0.569 7.939 8.280 0.462 0.049 0.540 72 R N -1.939 118.509 120.500 -0.088 0.000 2.152 72 R HA -0.310 nan 4.340 nan 0.000 0.232 72 R C 0.699 176.679 176.300 -0.533 0.000 1.117 72 R CA 1.770 57.664 56.100 -0.344 0.000 0.981 72 R CB -0.302 29.834 30.300 -0.273 0.000 0.870 72 R HN -0.812 7.516 8.270 0.153 0.034 0.451 73 F N -1.123 118.777 119.950 -0.083 0.000 2.399 73 F HA 0.115 nan 4.527 nan 0.000 0.342 73 F C 0.849 176.584 175.800 -0.109 0.000 1.106 73 F CA -0.778 57.169 58.000 -0.088 0.000 1.196 73 F CB 0.274 39.270 39.000 -0.008 0.000 1.163 73 F HN -0.546 7.451 8.300 -0.240 0.159 0.547 74 K N 4.040 124.497 120.400 0.094 0.000 2.034 74 K HA -0.493 nan 4.320 nan 0.000 0.214 74 K C 1.921 178.579 176.600 0.096 0.000 1.051 74 K CA 4.189 60.504 56.287 0.047 0.000 0.931 74 K CB -0.671 31.850 32.500 0.035 0.000 0.715 74 K HN 0.796 9.131 8.250 0.142 0.000 0.446 75 K N -1.735 118.724 120.400 0.098 0.000 2.044 75 K HA -0.383 nan 4.320 nan 0.000 0.210 75 K C 1.632 178.292 176.600 0.100 0.000 1.049 75 K CA 3.430 59.768 56.287 0.085 0.000 0.927 75 K CB -0.206 32.336 32.500 0.069 0.000 0.713 75 K HN 0.091 8.404 8.250 0.104 0.000 0.443 76 E N -2.282 117.997 120.200 0.131 0.000 2.046 76 E HA -0.220 nan 4.350 nan 0.000 0.190 76 E C 2.703 179.377 176.600 0.123 0.000 0.982 76 E CA 2.360 58.850 56.400 0.151 0.000 0.800 76 E CB -0.037 29.792 29.700 0.214 0.000 0.756 76 E HN -0.692 7.764 8.360 0.159 0.000 0.449 77 F N 1.104 120.919 119.950 -0.224 0.000 2.091 77 F HA -0.356 nan 4.527 nan 0.000 0.299 77 F C 1.276 176.997 175.800 -0.132 0.000 1.103 77 F CA 3.500 61.233 58.000 -0.445 0.000 1.228 77 F CB 0.366 38.991 39.000 -0.625 0.000 0.984 77 F HN 0.108 8.445 8.300 0.061 0.000 0.477 78 N N -3.084 115.656 118.700 0.067 0.000 2.383 78 N HA -0.102 nan 4.740 nan 0.000 0.192 78 N C -0.866 174.662 175.510 0.029 0.000 1.141 78 N CA 0.535 53.608 53.050 0.039 0.000 0.851 78 N CB 0.419 38.958 38.487 0.086 0.000 0.976 78 N HN -0.309 8.157 8.380 0.142 0.000 0.465 79 D N 2.540 122.965 120.400 0.042 0.000 2.520 79 D HA 0.033 nan 4.640 nan 0.000 0.243 79 D C -0.188 176.137 176.300 0.041 0.000 1.160 79 D CA -1.347 52.682 54.000 0.050 0.000 0.877 79 D CB 0.571 41.412 40.800 0.068 0.000 1.150 79 D HN -0.664 7.560 8.370 0.053 0.179 0.494 80 P HA -0.277 nan 4.420 nan 0.000 0.218 80 P C 1.412 178.750 177.300 0.063 0.000 1.154 80 P CA 2.507 65.634 63.100 0.044 0.000 0.872 80 P CB 0.199 31.925 31.700 0.044 0.000 0.790 81 S N -2.925 112.821 115.700 0.076 0.000 2.469 81 S HA -0.333 nan 4.470 nan 0.000 0.238 81 S C 0.724 175.438 174.600 0.191 0.000 0.998 81 S CA 2.637 60.908 58.200 0.118 0.000 0.957 81 S CB -0.336 62.904 63.200 0.066 0.000 0.764 81 S HN -0.350 8.138 8.310 0.062 -0.140 0.514 82 N N -0.012 118.766 118.700 0.130 0.000 2.268 82 N HA 0.051 nan 4.740 nan 0.000 0.204 82 N C -1.379 174.129 175.510 -0.004 0.000 1.124 82 N CA -0.961 52.150 53.050 0.102 0.000 0.838 82 N CB -0.054 38.503 38.487 0.116 0.000 0.994 82 N HN -0.228 8.032 8.380 0.087 0.173 0.489 83 A N -0.747 122.080 122.820 0.012 0.000 2.566 83 A HA -0.181 nan 4.320 nan 0.000 0.245 83 A C 0.328 177.897 177.584 -0.026 0.000 1.056 83 A CA 1.801 53.829 52.037 -0.014 0.000 0.757 83 A CB -0.547 18.465 19.000 0.020 0.000 0.979 83 A HN -0.254 7.858 8.150 0.050 0.067 0.508 84 G N 3.565 112.335 108.800 -0.050 0.000 2.279 84 G HA2 -0.427 nan 3.960 nan 0.000 0.223 84 G HA3 -0.427 nan 3.960 nan 0.000 0.223 84 G C 1.208 176.084 174.900 -0.041 0.000 1.015 84 G CA 0.754 45.826 45.100 -0.047 0.000 0.621 84 G HN 0.445 8.931 8.290 -0.064 -0.234 0.506 85 L N 1.943 123.116 121.223 -0.082 0.000 2.362 85 L HA -0.362 nan 4.340 nan 0.000 0.219 85 L C 0.889 177.764 176.870 0.009 0.000 1.134 85 L CA 2.104 56.890 54.840 -0.089 0.000 0.807 85 L CB -0.587 41.346 42.059 -0.211 0.000 0.927 85 L HN -0.286 7.808 8.230 -0.099 0.077 0.447 86 Q N -1.157 118.620 119.800 -0.038 0.000 2.234 86 Q HA -0.413 nan 4.340 nan 0.000 0.206 86 Q C 2.325 178.474 176.000 0.247 0.000 0.980 86 Q CA 3.402 59.258 55.803 0.089 0.000 0.869 86 Q CB -1.014 27.747 28.738 0.039 0.000 0.912 86 Q HN 0.484 8.639 8.270 -0.121 0.042 0.436 87 N N 0.093 118.888 118.700 0.159 0.000 2.142 87 N HA -0.247 nan 4.740 nan 0.000 0.186 87 N C 2.247 177.855 175.510 0.164 0.000 1.023 87 N CA 2.978 56.128 53.050 0.166 0.000 0.852 87 N CB -0.545 38.023 38.487 0.135 0.000 0.998 87 N HN -0.470 7.937 8.380 0.098 0.031 0.424 88 G N -0.419 108.454 108.800 0.121 0.000 2.403 88 G HA2 -0.215 nan 3.960 nan 0.000 0.216 88 G HA3 -0.215 nan 3.960 nan 0.000 0.216 88 G C 1.023 176.032 174.900 0.181 0.000 1.154 88 G CA 1.564 46.709 45.100 0.074 0.000 0.784 88 G HN -0.147 8.098 8.290 0.098 0.103 0.538 89 F N 2.944 122.976 119.950 0.135 0.000 2.075 89 F HA -0.354 nan 4.527 nan 0.000 0.297 89 F C 1.183 177.106 175.800 0.206 0.000 1.113 89 F CA 2.957 61.105 58.000 0.246 0.000 1.218 89 F CB 0.306 39.569 39.000 0.439 0.000 0.984 89 F HN -0.227 8.298 8.300 0.376 0.000 0.472 90 K N -2.558 117.989 120.400 0.245 0.000 2.113 90 K HA -0.443 nan 4.320 nan 0.000 0.208 90 K C 1.934 178.505 176.600 -0.049 0.000 1.047 90 K CA 2.962 59.295 56.287 0.077 0.000 0.928 90 K CB -0.240 32.356 32.500 0.161 0.000 0.716 90 K HN -0.045 8.357 8.250 0.435 0.108 0.446 91 F N -1.677 118.127 119.950 -0.244 0.000 2.102 91 F HA -0.271 nan 4.527 nan 0.000 0.298 91 F C 1.021 176.643 175.800 -0.296 0.000 1.105 91 F CA 2.814 60.567 58.000 -0.413 0.000 1.239 91 F CB 0.668 39.267 39.000 -0.669 0.000 0.991 91 F HN -0.732 7.629 8.300 0.101 0.000 0.474 92 L N -3.276 117.946 121.223 -0.001 0.000 2.313 92 L HA -0.348 nan 4.340 nan 0.000 0.214 92 L C 1.680 178.443 176.870 -0.179 0.000 1.119 92 L CA 1.886 56.691 54.840 -0.059 0.000 0.809 92 L CB -0.397 41.716 42.059 0.090 0.000 0.933 92 L HN -0.532 7.759 8.230 0.101 0.000 0.449 93 E N 0.396 120.439 120.200 -0.262 0.000 2.070 93 E HA -0.263 nan 4.350 nan 0.000 0.197 93 E C -1.055 175.441 176.600 -0.173 0.000 1.004 93 E CA 5.569 61.815 56.400 -0.256 0.000 0.805 93 E CB -1.628 27.869 29.700 -0.337 0.000 0.744 93 E HN -0.380 7.773 8.360 -0.292 0.032 0.451 94 P HA -0.171 nan 4.420 nan 0.000 0.218 94 P C 1.694 178.903 177.300 -0.151 0.000 1.148 94 P CA 2.746 65.738 63.100 -0.180 0.000 0.822 94 P CB -0.506 31.063 31.700 -0.219 0.000 0.784 95 I N -1.840 118.640 120.570 -0.150 0.000 2.353 95 I HA -0.425 nan 4.170 nan 0.000 0.248 95 I C 1.743 177.892 176.117 0.053 0.000 1.119 95 I CA 3.892 65.166 61.300 -0.043 0.000 1.417 95 I CB -0.147 37.792 38.000 -0.101 0.000 1.078 95 I HN -0.906 7.160 8.210 -0.215 0.015 0.421 96 H N 1.006 119.997 119.070 -0.131 0.000 2.363 96 H HA -0.310 nan 4.556 nan 0.000 0.301 96 H C 1.669 176.903 175.328 -0.157 0.000 1.074 96 H CA 2.713 58.670 56.048 -0.151 0.000 1.354 96 H CB 0.416 30.075 29.762 -0.173 0.000 1.397 96 H HN -0.225 8.052 8.280 -0.005 0.000 0.516 97 K N -2.890 117.454 120.400 -0.092 0.000 2.152 97 K HA -0.211 nan 4.320 nan 0.000 0.206 97 K C 1.108 177.595 176.600 -0.188 0.000 1.048 97 K CA 1.514 57.709 56.287 -0.155 0.000 0.933 97 K CB -0.108 32.308 32.500 -0.140 0.000 0.721 97 K HN -0.336 7.869 8.250 -0.074 0.000 0.447 98 E N -1.344 118.720 120.200 -0.226 0.000 2.158 98 E HA -0.168 nan 4.350 nan 0.000 0.191 98 E C 0.180 176.350 176.600 -0.717 0.000 0.982 98 E CA 2.058 58.189 56.400 -0.448 0.000 0.823 98 E CB 0.969 30.375 29.700 -0.490 0.000 0.766 98 E HN -0.592 7.585 8.360 -0.163 0.086 0.468 99 F N -2.297 117.530 119.950 -0.206 0.000 2.449 99 F HA 0.471 nan 4.527 nan 0.000 0.344 99 F C -2.313 173.174 175.800 -0.522 0.000 1.180 99 F CA -2.981 54.761 58.000 -0.430 0.000 1.209 99 F CB -0.221 38.369 39.000 -0.684 0.000 1.440 99 F HN -0.356 7.906 8.300 -0.063 0.000 0.526 100 P HA -0.104 nan 4.420 nan 0.000 0.229 100 P C 0.015 177.287 177.300 -0.046 0.000 1.160 100 P CA 1.382 64.384 63.100 -0.164 0.000 0.777 100 P CB -0.310 31.322 31.700 -0.113 0.000 0.814 101 W N -5.054 116.285 121.300 0.065 0.000 2.465 101 W HA -0.134 nan 4.660 nan 0.000 0.268 101 W C -0.705 175.892 176.519 0.130 0.000 1.242 101 W CA -1.250 56.138 57.345 0.072 0.000 1.248 101 W CB -0.454 29.032 29.460 0.044 0.000 1.118 101 W HN -0.508 7.680 8.180 0.081 0.040 0.587 102 I N 2.134 122.548 120.570 -0.260 0.000 2.529 102 I HA -0.051 nan 4.170 nan 0.000 0.284 102 I C -0.389 175.785 176.117 0.095 0.000 1.082 102 I CA -0.441 60.799 61.300 -0.101 0.000 1.406 102 I CB 1.223 38.934 38.000 -0.482 0.000 1.405 102 I HN -0.690 7.086 8.210 -0.666 0.035 0.548 103 S N 7.798 123.568 115.700 0.116 0.000 2.584 103 S HA 0.028 nan 4.470 nan 0.000 0.270 103 S C 1.565 176.066 174.600 -0.165 0.000 1.346 103 S CA 0.409 58.623 58.200 0.024 0.000 1.018 103 S CB 0.898 64.096 63.200 -0.003 0.000 0.899 103 S HN 0.189 8.944 8.310 0.213 -0.317 0.542 104 S N 5.094 120.654 115.700 -0.234 0.000 2.351 104 S HA -0.380 nan 4.470 nan 0.000 0.220 104 S C 2.096 176.251 174.600 -0.742 0.000 1.035 104 S CA 4.221 62.033 58.200 -0.647 0.000 1.031 104 S CB -0.359 62.563 63.200 -0.462 0.000 0.928 104 S HN 0.283 8.872 8.310 -0.097 -0.338 0.433 105 G N 0.400 109.035 108.800 -0.275 0.000 2.469 105 G HA2 -0.341 nan 3.960 nan 0.000 0.220 105 G HA3 -0.341 nan 3.960 nan 0.000 0.220 105 G C 1.015 175.925 174.900 0.017 0.000 1.136 105 G CA 2.090 47.165 45.100 -0.042 0.000 0.759 105 G HN 0.159 8.332 8.290 -0.195 0.000 0.562 106 D N 2.673 123.084 120.400 0.019 0.000 2.117 106 D HA -0.172 nan 4.640 nan 0.000 0.197 106 D C 2.097 178.498 176.300 0.167 0.000 0.987 106 D CA 3.117 57.282 54.000 0.275 0.000 0.829 106 D CB -0.276 40.740 40.800 0.361 0.000 0.961 106 D HN -0.620 7.720 8.370 -0.051 0.000 0.460 107 L N 0.308 121.440 121.223 -0.151 0.000 2.017 107 L HA -0.317 nan 4.340 nan 0.000 0.208 107 L C 1.626 178.462 176.870 -0.057 0.000 1.073 107 L CA 3.337 58.023 54.840 -0.256 0.000 0.745 107 L CB -0.265 41.448 42.059 -0.576 0.000 0.894 107 L HN -0.262 7.807 8.230 -0.269 0.000 0.432 108 F N -2.900 117.045 119.950 -0.008 0.000 2.171 108 F HA -0.344 nan 4.527 nan 0.000 0.300 108 F C 2.447 178.274 175.800 0.045 0.000 1.090 108 F CA 1.744 59.761 58.000 0.028 0.000 1.293 108 F CB -1.218 37.820 39.000 0.065 0.000 1.013 108 F HN 0.427 8.500 8.300 -0.379 0.000 0.486 109 S N -0.369 115.499 115.700 0.280 0.000 2.395 109 S HA -0.234 nan 4.470 nan 0.000 0.225 109 S C 2.221 176.921 174.600 0.166 0.000 1.027 109 S CA 3.394 61.749 58.200 0.258 0.000 0.965 109 S CB 0.468 63.879 63.200 0.352 0.000 0.812 109 S HN -0.384 8.093 8.310 0.278 0.000 0.482 110 L N 3.067 124.275 121.223 -0.025 0.000 2.083 110 L HA -0.208 nan 4.340 nan 0.000 0.209 110 L C 1.540 178.261 176.870 -0.248 0.000 1.083 110 L CA 2.358 56.916 54.840 -0.469 0.000 0.752 110 L CB -0.561 41.001 42.059 -0.829 0.000 0.899 110 L HN -0.069 8.225 8.230 0.107 0.000 0.433 111 G N -2.177 106.553 108.800 -0.117 0.000 2.469 111 G HA2 -0.463 nan 3.960 nan 0.000 0.219 111 G HA3 -0.463 nan 3.960 nan 0.000 0.219 111 G C 0.979 175.861 174.900 -0.029 0.000 1.150 111 G CA 2.650 47.706 45.100 -0.073 0.000 0.763 111 G HN 0.228 8.474 8.290 -0.074 0.000 0.561 112 G N 0.499 109.353 108.800 0.090 0.000 2.402 112 G HA2 -0.266 nan 3.960 nan 0.000 0.216 112 G HA3 -0.266 nan 3.960 nan 0.000 0.216 112 G C 1.090 176.135 174.900 0.242 0.000 1.162 112 G CA 1.638 46.878 45.100 0.233 0.000 0.777 112 G HN -0.699 7.657 8.290 0.110 0.000 0.539 113 V N 2.798 122.834 119.914 0.203 0.000 2.295 113 V HA -0.448 nan 4.120 nan 0.000 0.246 113 V C 2.251 178.367 176.094 0.036 0.000 1.049 113 V CA 4.390 66.802 62.300 0.187 0.000 1.024 113 V CB -0.707 31.214 31.823 0.163 0.000 0.648 113 V HN -0.236 8.045 8.190 0.152 0.000 0.447 114 T N 0.952 115.399 114.554 -0.179 0.000 2.708 114 T HA -0.345 nan 4.350 nan 0.000 0.266 114 T C 1.372 175.902 174.700 -0.284 0.000 1.037 114 T CA 4.997 66.785 62.100 -0.519 0.000 1.146 114 T CB -0.658 67.746 68.868 -0.774 0.000 0.865 114 T HN 0.288 8.408 8.240 -0.200 0.000 0.435 115 A N 0.878 123.590 122.820 -0.181 0.000 1.892 115 A HA -0.293 nan 4.320 nan 0.000 0.218 115 A C 1.731 179.239 177.584 -0.127 0.000 1.188 115 A CA 3.338 55.299 52.037 -0.126 0.000 0.631 115 A CB -0.911 18.036 19.000 -0.088 0.000 0.822 115 A HN -0.105 7.946 8.150 -0.166 0.000 0.447 116 V N -1.166 118.647 119.914 -0.168 0.000 2.295 116 V HA -0.543 nan 4.120 nan 0.000 0.246 116 V C 2.447 178.353 176.094 -0.313 0.000 1.049 116 V CA 4.611 66.696 62.300 -0.358 0.000 1.024 116 V CB -0.967 30.548 31.823 -0.513 0.000 0.648 116 V HN -0.239 7.884 8.190 -0.112 0.000 0.447 117 Q N -2.032 117.680 119.800 -0.146 0.000 2.123 117 Q HA -0.278 nan 4.340 nan 0.000 0.199 117 Q C 3.214 179.216 176.000 0.002 0.000 0.966 117 Q CA 3.056 58.831 55.803 -0.046 0.000 0.845 117 Q CB -0.151 28.674 28.738 0.145 0.000 0.907 117 Q HN -0.267 7.949 8.270 -0.090 0.000 0.439 118 E N -0.072 120.122 120.200 -0.010 0.000 2.274 118 E HA -0.189 nan 4.350 nan 0.000 0.194 118 E C 1.269 177.873 176.600 0.007 0.000 0.996 118 E CA 1.751 58.156 56.400 0.009 0.000 0.840 118 E CB -0.215 29.466 29.700 -0.032 0.000 0.772 118 E HN 0.053 8.380 8.360 -0.055 0.000 0.491 119 M N -1.382 118.207 119.600 -0.020 0.000 2.652 119 M HA 0.038 nan 4.480 nan 0.000 0.226 119 M C -1.308 175.022 176.300 0.051 0.000 1.244 119 M CA 0.370 55.683 55.300 0.021 0.000 0.986 119 M CB -0.398 32.221 32.600 0.032 0.000 1.666 119 M HN -0.250 8.004 8.290 -0.060 0.000 0.460 120 Q N -5.280 114.540 119.800 0.033 0.000 2.481 120 Q HA -0.418 nan 4.340 nan 0.000 0.258 120 Q C -0.138 175.877 176.000 0.025 0.000 0.961 120 Q CA 0.977 56.819 55.803 0.064 0.000 1.121 120 Q CB -3.103 25.710 28.738 0.125 0.000 1.503 120 Q HN -0.119 8.027 8.270 0.020 0.136 0.544 121 G N 1.851 110.526 108.800 -0.209 0.000 2.508 121 G HA2 0.129 nan 3.960 nan 0.000 0.278 121 G HA3 0.129 nan 3.960 nan 0.000 0.278 121 G C -2.199 172.323 174.900 -0.629 0.000 1.389 121 G CA -0.745 43.952 45.100 -0.672 0.000 1.050 121 G HN -0.215 7.912 8.290 -0.217 0.033 0.522 122 P HA 0.045 nan 4.420 nan 0.000 0.272 122 P C -1.264 175.910 177.300 -0.209 0.000 1.230 122 P CA -0.635 62.221 63.100 -0.405 0.000 0.788 122 P CB 1.180 32.644 31.700 -0.395 0.000 0.949 123 K N 0.094 120.455 120.400 -0.065 0.000 2.383 123 K HA -0.016 nan 4.320 nan 0.000 0.286 123 K C -0.462 176.146 176.600 0.013 0.000 1.051 123 K CA -0.568 55.717 56.287 -0.004 0.000 0.974 123 K CB -0.080 32.429 32.500 0.015 0.000 0.968 123 K HN 0.013 8.245 8.250 -0.030 0.000 0.475 124 I N 6.455 127.066 120.570 0.068 0.000 2.291 124 I HA 0.196 nan 4.170 nan 0.000 0.290 124 I C -1.453 174.740 176.117 0.126 0.000 1.050 124 I CA -4.456 56.914 61.300 0.118 0.000 1.245 124 I CB -1.357 36.782 38.000 0.231 0.000 1.405 124 I HN -0.229 8.281 8.210 0.096 -0.242 0.478 125 P HA -0.074 nan 4.420 nan 0.000 0.262 125 P C -2.186 175.169 177.300 0.093 0.000 1.182 125 P CA 0.066 63.176 63.100 0.016 0.000 0.761 125 P CB 0.113 31.774 31.700 -0.066 0.000 0.795 126 W N 6.613 127.844 121.300 -0.115 0.000 2.736 126 W HA 0.250 nan 4.660 nan 0.000 0.335 126 W C -2.549 173.837 176.519 -0.223 0.000 1.059 126 W CA -1.537 55.763 57.345 -0.075 0.000 1.226 126 W CB 3.843 33.404 29.460 0.168 0.000 1.416 126 W HN 0.687 8.952 8.180 0.142 0.000 0.505 127 R N 3.614 123.538 120.500 -0.960 0.000 2.445 127 R HA 0.525 nan 4.340 nan 0.000 0.308 127 R C -1.181 174.238 176.300 -1.468 0.000 0.961 127 R CA -1.574 53.880 56.100 -1.077 0.000 0.862 127 R CB 3.150 32.811 30.300 -1.065 0.000 1.144 127 R HN 0.319 7.917 8.270 -1.121 0.000 0.447 128 C N -1.395 117.226 119.300 -1.132 0.000 2.470 128 C HA 0.471 nan 4.460 nan 0.000 0.350 128 C C 0.677 175.525 174.990 -0.238 0.000 1.341 128 C CA -1.849 56.674 59.018 -0.825 0.000 2.440 128 C CB 0.534 27.995 27.740 -0.465 0.000 2.295 128 C HN 0.608 8.315 8.230 -0.872 0.000 0.645 129 G N -0.960 107.815 108.800 -0.042 0.000 2.318 129 G HA2 -0.212 nan 3.960 nan 0.000 0.172 129 G HA3 -0.212 nan 3.960 nan 0.000 0.172 129 G C -1.240 173.656 174.900 -0.007 0.000 1.002 129 G CA -0.214 44.919 45.100 0.055 0.000 0.697 129 G HN 0.217 8.897 8.290 0.003 -0.389 0.483 130 R N 0.665 121.103 120.500 -0.104 0.000 2.590 130 R HA -0.005 nan 4.340 nan 0.000 0.274 130 R C -1.135 174.882 176.300 -0.472 0.000 1.061 130 R CA 1.021 56.886 56.100 -0.391 0.000 1.081 130 R CB 0.912 31.058 30.300 -0.257 0.000 0.984 130 R HN -0.531 7.913 8.270 -0.084 -0.224 0.448 131 V N 2.859 122.208 119.914 -0.941 0.000 2.540 131 V HA 0.099 nan 4.120 nan 0.000 0.302 131 V C -0.789 175.092 176.094 -0.356 0.000 1.035 131 V CA -1.640 60.396 62.300 -0.439 0.000 0.873 131 V CB 2.237 33.950 31.823 -0.182 0.000 0.992 131 V HN -0.058 6.873 8.190 -2.097 0.000 0.428 132 D N 6.387 126.709 120.400 -0.130 0.000 2.434 132 D HA -0.018 nan 4.640 nan 0.000 0.252 132 D C -0.109 176.231 176.300 0.065 0.000 1.185 132 D CA 1.225 55.209 54.000 -0.027 0.000 0.886 132 D CB 0.367 41.175 40.800 0.014 0.000 1.148 132 D HN 0.142 8.461 8.370 -0.084 0.000 0.483 133 T N 0.929 115.565 114.554 0.137 0.000 2.948 133 T HA 0.524 nan 4.350 nan 0.000 0.285 133 T C -1.856 173.003 174.700 0.265 0.000 1.019 133 T CA -3.241 58.977 62.100 0.196 0.000 1.013 133 T CB 0.226 69.228 68.868 0.222 0.000 1.117 133 T HN -0.130 8.097 8.240 0.142 0.098 0.533 134 P HA 0.172 nan 4.420 nan 0.000 0.271 134 P C 0.792 177.973 177.300 -0.198 0.000 1.233 134 P CA -0.868 62.286 63.100 0.089 0.000 0.789 134 P CB 0.715 32.430 31.700 0.026 0.000 0.951 135 E N 1.162 120.939 120.200 -0.705 0.000 2.209 135 E HA -0.377 nan 4.350 nan 0.000 0.196 135 E C 1.333 177.577 176.600 -0.595 0.000 0.993 135 E CA 3.577 59.112 56.400 -1.442 0.000 0.819 135 E CB -0.153 28.870 29.700 -1.129 0.000 0.745 135 E HN 0.533 8.642 8.360 -0.418 0.000 0.477 136 D N -3.685 116.543 120.400 -0.286 0.000 2.349 136 D HA -0.095 nan 4.640 nan 0.000 0.224 136 D C 0.730 176.991 176.300 -0.064 0.000 1.029 136 D CA 0.827 54.741 54.000 -0.143 0.000 0.879 136 D CB -1.068 39.680 40.800 -0.087 0.000 0.906 136 D HN 0.089 8.294 8.370 -0.245 0.018 0.528 137 T N -4.865 109.666 114.554 -0.038 0.000 3.086 137 T HA 0.129 nan 4.350 nan 0.000 0.250 137 T C 0.672 175.422 174.700 0.084 0.000 1.074 137 T CA -0.058 62.076 62.100 0.056 0.000 0.988 137 T CB 0.082 69.023 68.868 0.122 0.000 0.988 137 T HN -0.284 7.732 8.240 -0.089 0.170 0.530 138 T N 8.012 122.595 114.554 0.047 0.000 2.784 138 T HA 0.193 nan 4.350 nan 0.000 0.291 138 T C -1.653 173.101 174.700 0.090 0.000 0.942 138 T CA -0.330 61.838 62.100 0.113 0.000 1.161 138 T CB -0.467 68.457 68.868 0.094 0.000 0.885 138 T HN -0.618 7.518 8.240 -0.047 0.076 0.534 139 P HA 0.013 nan 4.420 nan 0.000 0.268 139 P C -1.588 175.751 177.300 0.065 0.000 1.205 139 P CA -0.622 62.526 63.100 0.079 0.000 0.771 139 P CB 0.601 32.352 31.700 0.086 0.000 0.858 140 D N 1.991 122.419 120.400 0.046 0.000 2.400 140 D HA -0.169 nan 4.640 nan 0.000 0.238 140 D C 0.382 176.709 176.300 0.045 0.000 1.157 140 D CA 0.732 54.757 54.000 0.041 0.000 0.889 140 D CB 0.472 41.290 40.800 0.030 0.000 1.199 140 D HN 0.140 8.534 8.370 0.040 0.000 0.436 141 N N -0.234 118.494 118.700 0.046 0.000 2.416 141 N HA -0.199 nan 4.740 nan 0.000 0.246 141 N C 1.149 176.686 175.510 0.045 0.000 1.260 141 N CA 1.075 54.152 53.050 0.046 0.000 0.897 141 N CB 0.013 38.527 38.487 0.045 0.000 1.110 141 N HN 0.271 8.678 8.380 0.045 0.000 0.439 142 G N 0.749 109.577 108.800 0.047 0.000 2.192 142 G HA2 -0.201 nan 3.960 nan 0.000 0.193 142 G HA3 -0.201 nan 3.960 nan 0.000 0.193 142 G C 0.013 174.963 174.900 0.082 0.000 0.999 142 G CA -0.011 45.126 45.100 0.062 0.000 0.659 142 G HN 0.450 8.765 8.290 0.041 0.000 0.503 143 R N -0.890 119.651 120.500 0.068 0.000 2.310 143 R HA -0.015 nan 4.340 nan 0.000 0.202 143 R C -0.305 176.112 176.300 0.193 0.000 0.933 143 R CA 0.165 56.323 56.100 0.096 0.000 1.054 143 R CB 0.487 30.807 30.300 0.034 0.000 0.985 143 R HN -0.085 8.213 8.270 0.046 0.000 0.489 144 L N -0.757 120.522 121.223 0.094 0.000 2.343 144 L HA 0.368 nan 4.340 nan 0.000 0.275 144 L C -1.581 175.267 176.870 -0.036 0.000 1.056 144 L CA -3.069 51.772 54.840 0.002 0.000 0.804 144 L CB 0.515 42.423 42.059 -0.252 0.000 1.203 144 L HN -0.439 7.754 8.230 0.055 0.069 0.440 145 P HA 0.028 nan 4.420 nan 0.000 0.275 145 P C -1.544 175.713 177.300 -0.072 0.000 1.228 145 P CA -0.671 62.178 63.100 -0.419 0.000 0.786 145 P CB 0.420 31.567 31.700 -0.921 0.000 0.927 146 D N 3.896 124.289 120.400 -0.011 0.000 2.304 146 D HA 0.078 nan 4.640 nan 0.000 0.247 146 D C 0.023 176.253 176.300 -0.116 0.000 1.089 146 D CA -0.137 53.807 54.000 -0.093 0.000 0.910 146 D CB 0.819 41.492 40.800 -0.212 0.000 1.199 146 D HN -0.083 8.378 8.370 0.151 0.000 0.426 147 A N 0.364 123.150 122.820 -0.056 0.000 2.147 147 A HA 0.060 nan 4.320 nan 0.000 0.211 147 A C -0.543 177.002 177.584 -0.065 0.000 1.160 147 A CA 1.383 53.361 52.037 -0.097 0.000 0.781 147 A CB 0.524 19.342 19.000 -0.303 0.000 0.842 147 A HN 0.186 8.339 8.150 0.004 0.000 0.475 148 D N -3.657 116.741 120.400 -0.004 0.000 3.008 148 D HA -0.014 nan 4.640 nan 0.000 0.242 148 D C -1.047 175.231 176.300 -0.036 0.000 1.222 148 D CA -0.284 53.744 54.000 0.045 0.000 0.883 148 D CB -1.947 38.906 40.800 0.089 0.000 1.110 148 D HN 0.133 8.502 8.370 -0.001 0.000 0.455 149 K N -1.356 119.010 120.400 -0.056 0.000 2.318 149 K HA 0.254 nan 4.320 nan 0.000 0.265 149 K C -2.184 174.462 176.600 0.077 0.000 1.055 149 K CA -1.742 54.496 56.287 -0.081 0.000 0.896 149 K CB 2.874 35.112 32.500 -0.436 0.000 1.479 149 K HN -0.626 7.569 8.250 -0.011 0.049 0.449 150 D N -4.325 116.164 120.400 0.149 0.000 2.592 150 D HA 0.228 nan 4.640 nan 0.000 0.259 150 D C 0.296 176.753 176.300 0.263 0.000 1.144 150 D CA -1.437 52.680 54.000 0.195 0.000 1.080 150 D CB 2.063 42.964 40.800 0.168 0.000 1.225 150 D HN -0.182 8.277 8.370 0.148 0.000 0.619 151 A N -2.034 120.932 122.820 0.243 0.000 1.978 151 A HA -0.222 nan 4.320 nan 0.000 0.220 151 A C 1.793 179.550 177.584 0.288 0.000 1.170 151 A CA 3.152 55.381 52.037 0.320 0.000 0.636 151 A CB -0.173 18.984 19.000 0.262 0.000 0.810 151 A HN 0.388 8.657 8.150 0.199 0.000 0.448 152 G N -2.750 106.177 108.800 0.212 0.000 2.403 152 G HA2 -0.251 nan 3.960 nan 0.000 0.216 152 G HA3 -0.251 nan 3.960 nan 0.000 0.216 152 G C 0.550 175.581 174.900 0.218 0.000 1.154 152 G CA 1.349 46.551 45.100 0.170 0.000 0.784 152 G HN -0.605 7.990 8.290 0.191 -0.190 0.538 153 Y N 2.975 123.373 120.300 0.163 0.000 2.145 153 Y HA -0.447 nan 4.550 nan 0.000 0.286 153 Y C 1.593 177.645 175.900 0.254 0.000 1.145 153 Y CA 3.833 62.041 58.100 0.180 0.000 1.148 153 Y CB 0.195 38.741 38.460 0.144 0.000 0.981 153 Y HN -0.692 8.034 8.280 0.368 -0.225 0.507 154 V N -0.469 119.670 119.914 0.375 0.000 2.287 154 V HA -0.576 nan 4.120 nan 0.000 0.248 154 V C 2.021 178.389 176.094 0.457 0.000 1.053 154 V CA 4.544 67.090 62.300 0.410 0.000 1.027 154 V CB -1.134 30.951 31.823 0.437 0.000 0.646 154 V HN -0.223 8.251 8.190 0.473 0.000 0.447 155 R N -1.911 118.828 120.500 0.397 0.000 2.091 155 R HA -0.421 nan 4.340 nan 0.000 0.238 155 R C 2.173 178.599 176.300 0.209 0.000 1.136 155 R CA 3.831 60.120 56.100 0.314 0.000 0.959 155 R CB -0.177 30.215 30.300 0.154 0.000 0.856 155 R HN -0.210 8.298 8.270 0.396 0.000 0.437 156 T N 1.195 115.823 114.554 0.124 0.000 2.857 156 T HA -0.178 nan 4.350 nan 0.000 0.266 156 T C 1.910 176.596 174.700 -0.023 0.000 1.048 156 T CA 4.706 66.830 62.100 0.040 0.000 1.139 156 T CB -0.446 68.433 68.868 0.017 0.000 0.874 156 T HN -0.632 7.685 8.240 0.128 0.000 0.455 157 F N 2.899 122.724 119.950 -0.208 0.000 2.084 157 F HA -0.382 nan 4.527 nan 0.000 0.296 157 F C 1.377 177.076 175.800 -0.168 0.000 1.111 157 F CA 3.586 61.405 58.000 -0.301 0.000 1.224 157 F CB 0.437 39.112 39.000 -0.543 0.000 0.991 157 F HN 0.020 8.313 8.300 -0.010 0.000 0.471 158 F N -1.275 118.756 119.950 0.136 0.000 2.365 158 F HA -0.332 nan 4.527 nan 0.000 0.300 158 F C 1.878 177.674 175.800 -0.007 0.000 1.090 158 F CA 3.399 61.457 58.000 0.097 0.000 1.408 158 F CB -0.361 38.771 39.000 0.219 0.000 1.060 158 F HN -0.006 8.581 8.300 0.478 0.000 0.534 159 Q N 0.208 120.078 119.800 0.115 0.000 2.181 159 Q HA -0.403 nan 4.340 nan 0.000 0.205 159 Q C 1.973 177.924 176.000 -0.081 0.000 0.980 159 Q CA 3.241 59.067 55.803 0.039 0.000 0.862 159 Q CB -0.511 28.245 28.738 0.031 0.000 0.905 159 Q HN -0.223 8.126 8.270 0.150 0.011 0.429 160 R N -1.588 118.780 120.500 -0.220 0.000 2.193 160 R HA -0.196 nan 4.340 nan 0.000 0.229 160 R C 0.986 177.082 176.300 -0.340 0.000 1.110 160 R CA 2.798 58.685 56.100 -0.354 0.000 0.988 160 R CB 0.064 30.090 30.300 -0.456 0.000 0.871 160 R HN -0.481 7.609 8.270 -0.275 0.015 0.458 161 L N -2.486 118.686 121.223 -0.084 0.000 2.910 161 L HA 0.138 nan 4.340 nan 0.000 0.252 161 L C -0.882 176.192 176.870 0.341 0.000 1.195 161 L CA -1.359 53.645 54.840 0.273 0.000 1.003 161 L CB -0.449 41.800 42.059 0.318 0.000 1.328 161 L HN -0.701 7.311 8.230 -0.090 0.164 0.540 162 N N -0.450 118.356 118.700 0.177 0.000 2.974 162 N HA -0.431 nan 4.740 nan 0.000 0.298 162 N C -1.107 174.505 175.510 0.171 0.000 1.048 162 N CA 1.128 54.271 53.050 0.154 0.000 0.849 162 N CB -1.385 37.173 38.487 0.119 0.000 0.952 162 N HN -0.345 7.974 8.380 0.038 0.084 0.615 163 M N 0.064 119.787 119.600 0.205 0.000 2.180 163 M HA 0.214 nan 4.480 nan 0.000 0.350 163 M C -0.429 175.956 176.300 0.140 0.000 1.125 163 M CA -1.704 53.701 55.300 0.174 0.000 1.031 163 M CB 0.206 32.949 32.600 0.240 0.000 1.623 163 M HN -0.123 8.293 8.290 0.240 0.018 0.451 164 N N 4.440 123.200 118.700 0.099 0.000 2.443 164 N HA 0.107 nan 4.740 nan 0.000 0.294 164 N C -0.044 175.536 175.510 0.116 0.000 1.289 164 N CA -0.930 52.179 53.050 0.099 0.000 0.966 164 N CB 0.547 39.078 38.487 0.073 0.000 1.122 164 N HN 0.563 9.320 8.380 0.083 -0.327 0.569 165 D N -0.213 120.269 120.400 0.135 0.000 2.097 165 D HA -0.257 nan 4.640 nan 0.000 0.197 165 D C 2.383 178.790 176.300 0.178 0.000 0.984 165 D CA 4.368 58.509 54.000 0.235 0.000 0.826 165 D CB -0.376 40.529 40.800 0.174 0.000 0.973 165 D HN 0.376 8.806 8.370 0.099 0.000 0.460 166 R N 0.248 120.819 120.500 0.118 0.000 2.091 166 R HA -0.379 nan 4.340 nan 0.000 0.238 166 R C 1.925 178.306 176.300 0.135 0.000 1.136 166 R CA 3.186 59.360 56.100 0.124 0.000 0.959 166 R CB -0.218 30.144 30.300 0.104 0.000 0.856 166 R HN -0.232 8.162 8.270 0.098 -0.065 0.437 167 E N -0.526 119.716 120.200 0.071 0.000 2.072 167 E HA -0.338 nan 4.350 nan 0.000 0.191 167 E C 2.704 179.237 176.600 -0.112 0.000 0.985 167 E CA 3.103 59.508 56.400 0.008 0.000 0.801 167 E CB -0.166 29.534 29.700 -0.001 0.000 0.750 167 E HN -0.576 8.081 8.360 0.070 -0.255 0.452 168 V N 0.654 120.446 119.914 -0.203 0.000 2.295 168 V HA -0.334 nan 4.120 nan 0.000 0.246 168 V C 2.092 177.989 176.094 -0.328 0.000 1.049 168 V CA 4.552 66.548 62.300 -0.506 0.000 1.024 168 V CB -0.851 30.720 31.823 -0.421 0.000 0.648 168 V HN -0.134 8.002 8.190 -0.091 0.000 0.447 169 V N -0.967 118.876 119.914 -0.118 0.000 2.358 169 V HA -0.411 nan 4.120 nan 0.000 0.246 169 V C 1.946 178.220 176.094 0.300 0.000 1.047 169 V CA 4.413 66.748 62.300 0.057 0.000 1.035 169 V CB -1.439 30.456 31.823 0.120 0.000 0.658 169 V HN -0.178 7.979 8.190 -0.055 0.000 0.452 170 A N 0.000 123.040 122.820 0.367 0.000 1.883 170 A HA -0.272 nan 4.320 nan 0.000 0.217 170 A C 2.307 180.171 177.584 0.467 0.000 1.186 170 A CA 3.289 55.586 52.037 0.434 0.000 0.624 170 A CB -0.759 18.413 19.000 0.286 0.000 0.822 170 A HN 0.050 8.399 8.150 0.332 0.000 0.444 171 L N -1.534 119.770 121.223 0.135 0.000 2.079 171 L HA -0.276 nan 4.340 nan 0.000 0.210 171 L C 2.441 179.265 176.870 -0.076 0.000 1.081 171 L CA 2.592 57.447 54.840 0.025 0.000 0.752 171 L CB -0.521 41.401 42.059 -0.230 0.000 0.896 171 L HN -0.033 8.212 8.230 0.023 0.000 0.433 172 M N -1.164 118.282 119.600 -0.257 0.000 2.374 172 M HA -0.179 nan 4.480 nan 0.000 0.264 172 M C 2.129 177.892 176.300 -0.895 0.000 1.067 172 M CA 1.426 56.384 55.300 -0.570 0.000 1.103 172 M CB -0.679 31.665 32.600 -0.428 0.000 1.402 172 M HN 0.016 8.185 8.290 -0.202 0.000 0.444 173 G N -1.959 106.548 108.800 -0.489 0.000 2.498 173 G HA2 -0.289 nan 3.960 nan 0.000 0.219 173 G HA3 -0.289 nan 3.960 nan 0.000 0.219 173 G C 0.297 174.820 174.900 -0.630 0.000 1.119 173 G CA 1.649 46.318 45.100 -0.719 0.000 0.766 173 G HN -0.187 7.944 8.290 -0.020 0.147 0.552 174 A N 1.557 124.142 122.820 -0.391 0.000 2.216 174 A HA -0.207 nan 4.320 nan 0.000 0.214 174 A C 1.295 178.739 177.584 -0.233 0.000 1.160 174 A CA 1.800 53.664 52.037 -0.288 0.000 0.725 174 A CB -0.690 18.281 19.000 -0.049 0.000 0.784 174 A HN -0.518 7.476 8.150 -0.201 0.036 0.472 175 H N -1.820 116.886 119.070 -0.606 0.000 2.556 175 H HA -0.152 nan 4.556 nan 0.000 0.268 175 H C 0.087 175.237 175.328 -0.296 0.000 0.996 175 H CA -0.036 55.732 56.048 -0.466 0.000 1.157 175 H CB -0.190 29.225 29.762 -0.578 0.000 1.355 175 H HN -0.069 7.578 8.280 -0.763 0.175 0.597 176 A N -2.019 120.652 122.820 -0.248 0.000 2.121 176 A HA -0.157 nan 4.320 nan 0.000 0.218 176 A C -0.064 177.432 177.584 -0.147 0.000 1.154 176 A CA 1.145 53.083 52.037 -0.164 0.000 0.679 176 A CB 0.356 19.205 19.000 -0.252 0.000 0.795 176 A HN -0.489 7.241 8.150 -0.448 0.151 0.458 177 L N -3.090 118.055 121.223 -0.129 0.000 2.334 177 L HA 0.034 nan 4.340 nan 0.000 0.275 177 L C 0.448 177.285 176.870 -0.054 0.000 1.036 177 L CA -0.573 54.223 54.840 -0.073 0.000 0.807 177 L CB 1.021 43.059 42.059 -0.034 0.000 1.231 177 L HN -0.701 7.275 8.230 -0.140 0.171 0.438 178 G N 1.413 110.192 108.800 -0.035 0.000 2.574 178 G HA2 -0.349 nan 3.960 nan 0.000 0.286 178 G HA3 -0.349 nan 3.960 nan 0.000 0.286 178 G C -2.403 172.444 174.900 -0.089 0.000 1.212 178 G CA 1.057 46.138 45.100 -0.032 0.000 0.979 178 G HN 0.605 8.775 8.290 -0.027 0.103 0.557 179 K N -1.737 118.577 120.400 -0.144 0.000 2.711 179 K HA 0.253 nan 4.320 nan 0.000 0.294 179 K C -2.056 174.326 176.600 -0.363 0.000 1.037 179 K CA -1.344 54.797 56.287 -0.243 0.000 0.858 179 K CB 2.574 34.909 32.500 -0.274 0.000 1.521 179 K HN -0.425 7.769 8.250 -0.093 0.000 0.386 180 T N -2.587 111.792 114.554 -0.292 0.000 2.909 180 T HA 0.424 nan 4.350 nan 0.000 0.289 180 T C -0.206 174.291 174.700 -0.337 0.000 1.005 180 T CA -1.256 60.718 62.100 -0.210 0.000 1.084 180 T CB 1.036 69.884 68.868 -0.034 0.000 0.975 180 T HN 0.295 8.413 8.240 -0.204 0.000 0.509 181 H N 2.010 121.101 119.070 0.036 0.000 2.547 181 H HA 0.447 nan 4.556 nan 0.000 0.342 181 H C -0.036 175.311 175.328 0.033 0.000 1.048 181 H CA -0.907 55.152 56.048 0.019 0.000 1.204 181 H CB 2.112 31.872 29.762 -0.003 0.000 1.493 181 H HN 0.287 8.636 8.280 0.115 0.000 0.511 182 L N 5.546 126.830 121.223 0.101 0.000 2.042 182 L HA -0.388 nan 4.340 nan 0.000 0.210 182 L C 0.951 177.850 176.870 0.049 0.000 1.076 182 L CA 3.904 58.775 54.840 0.052 0.000 0.749 182 L CB 0.259 42.328 42.059 0.017 0.000 0.893 182 L HN -0.091 8.440 8.230 0.078 -0.255 0.432 183 K N -2.600 117.836 120.400 0.059 0.000 2.283 183 K HA -0.289 nan 4.320 nan 0.000 0.202 183 K C 0.800 177.429 176.600 0.050 0.000 1.048 183 K CA 2.448 58.759 56.287 0.040 0.000 0.948 183 K CB -0.453 32.064 32.500 0.028 0.000 0.742 183 K HN 0.222 8.514 8.250 0.069 0.000 0.458 184 N N -2.337 116.413 118.700 0.084 0.000 2.258 184 N HA -0.038 nan 4.740 nan 0.000 0.183 184 N C 1.058 176.629 175.510 0.101 0.000 1.029 184 N CA 2.154 55.252 53.050 0.080 0.000 0.857 184 N CB 0.765 39.310 38.487 0.097 0.000 1.008 184 N HN -0.566 7.759 8.380 0.127 0.131 0.433 185 S N -3.501 112.285 115.700 0.142 0.000 2.603 185 S HA 0.158 nan 4.470 nan 0.000 0.232 185 S C 0.903 175.596 174.600 0.154 0.000 1.016 185 S CA -0.095 58.219 58.200 0.189 0.000 0.976 185 S CB 2.375 65.744 63.200 0.282 0.000 0.921 185 S HN -0.304 8.102 8.310 0.159 0.000 0.516 186 G N 1.179 109.993 108.800 0.022 0.000 2.162 186 G HA2 -0.335 nan 3.960 nan 0.000 0.260 186 G HA3 -0.335 nan 3.960 nan 0.000 0.260 186 G C -1.286 173.366 174.900 -0.414 0.000 0.976 186 G CA 0.893 45.884 45.100 -0.181 0.000 0.655 186 G HN -0.161 8.154 8.290 0.042 0.000 0.533 187 Y N -1.919 118.387 120.300 0.011 0.000 2.485 187 Y HA 0.221 nan 4.550 nan 0.000 0.345 187 Y C -1.471 174.421 175.900 -0.014 0.000 0.998 187 Y CA -1.771 56.328 58.100 -0.002 0.000 1.059 187 Y CB 2.654 41.112 38.460 -0.002 0.000 1.234 187 Y HN -0.851 7.471 8.280 0.194 0.074 0.461 188 E N 1.649 121.923 120.200 0.123 0.000 2.275 188 E HA 0.321 nan 4.350 nan 0.000 0.270 188 E C -1.248 175.374 176.600 0.037 0.000 0.882 188 E CA -1.548 54.879 56.400 0.045 0.000 0.758 188 E CB 2.968 32.682 29.700 0.022 0.000 1.195 188 E HN 0.062 8.795 8.360 0.152 -0.281 0.419 189 G N 4.317 113.107 108.800 -0.016 0.000 2.406 189 G HA2 -0.162 nan 3.960 nan 0.000 0.680 189 G HA3 -0.162 nan 3.960 nan 0.000 0.680 189 G C -3.293 171.601 174.900 -0.011 0.000 1.338 189 G CA -0.609 44.497 45.100 0.011 0.000 0.941 189 G HN -0.097 8.145 8.290 -0.079 0.000 0.633 190 P HA 0.476 nan 4.420 nan 0.000 0.283 190 P C -0.395 176.931 177.300 0.043 0.000 1.278 190 P CA -1.343 61.758 63.100 0.001 0.000 0.834 190 P CB 1.703 33.406 31.700 0.004 0.000 1.150 191 G N -2.983 105.787 108.800 -0.049 0.000 3.088 191 G HA2 -0.018 nan 3.960 nan 0.000 0.217 191 G HA3 -0.018 nan 3.960 nan 0.000 0.217 191 G C -1.370 173.326 174.900 -0.340 0.000 1.159 191 G CA -0.694 44.377 45.100 -0.048 0.000 0.760 191 G HN 0.529 8.770 8.290 -0.082 0.000 0.550 192 G N -2.266 106.175 108.800 -0.598 0.000 2.430 192 G HA2 0.047 nan 3.960 nan 0.000 0.300 192 G HA3 0.047 nan 3.960 nan 0.000 0.300 192 G C -1.785 172.785 174.900 -0.550 0.000 1.330 192 G CA 0.325 44.859 45.100 -0.943 0.000 0.813 192 G HN -0.881 7.140 8.290 -0.355 0.056 0.487 193 A N -1.073 121.572 122.820 -0.292 0.000 1.887 193 A HA 0.089 nan 4.320 nan 0.000 0.212 193 A C 0.764 178.332 177.584 -0.025 0.000 1.198 193 A CA 1.484 53.510 52.037 -0.018 0.000 0.628 193 A CB 1.225 20.272 19.000 0.079 0.000 0.847 193 A HN 0.205 8.436 8.150 -0.338 -0.283 0.449 194 A N -0.604 122.191 122.820 -0.042 0.000 3.056 194 A HA 0.137 nan 4.320 nan 0.000 0.274 194 A C -0.905 176.660 177.584 -0.031 0.000 1.661 194 A CA -0.910 51.118 52.037 -0.016 0.000 1.363 194 A CB -1.876 17.122 19.000 -0.003 0.000 1.139 194 A HN -0.433 7.912 8.150 -0.064 -0.233 0.598 195 N N -0.843 117.839 118.700 -0.029 0.000 2.370 195 N HA -0.128 nan 4.740 nan 0.000 0.198 195 N C -0.862 174.643 175.510 -0.009 0.000 1.156 195 N CA 0.951 53.979 53.050 -0.037 0.000 0.839 195 N CB 0.011 38.469 38.487 -0.048 0.000 0.989 195 N HN -0.133 8.180 8.380 -0.019 0.056 0.468 196 N N -3.666 115.043 118.700 0.015 0.000 2.387 196 N HA 0.108 nan 4.740 nan 0.000 0.259 196 N C -1.600 173.942 175.510 0.053 0.000 1.369 196 N CA -0.908 52.163 53.050 0.035 0.000 0.867 196 N CB -0.415 38.097 38.487 0.042 0.000 1.341 196 N HN -0.075 8.259 8.380 0.017 0.056 0.495 197 V N -0.449 119.497 119.914 0.053 0.000 2.588 197 V HA 0.329 nan 4.120 nan 0.000 0.304 197 V C -1.823 174.335 176.094 0.106 0.000 1.042 197 V CA -0.708 61.645 62.300 0.088 0.000 0.877 197 V CB 2.292 34.163 31.823 0.080 0.000 0.996 197 V HN -0.807 7.400 8.190 0.029 0.000 0.425 198 F N 8.816 128.758 119.950 -0.013 0.000 2.438 198 F HA 0.112 nan 4.527 nan 0.000 0.360 198 F C -0.825 175.079 175.800 0.173 0.000 1.118 198 F CA 0.667 58.648 58.000 -0.031 0.000 1.164 198 F CB 0.338 39.205 39.000 -0.222 0.000 1.131 198 F HN 0.704 9.157 8.300 0.255 0.000 0.527 199 T N 2.596 117.148 114.554 -0.004 0.000 2.696 199 T HA 0.256 nan 4.350 nan 0.000 0.291 199 T C -1.234 173.565 174.700 0.165 0.000 1.095 199 T CA -2.092 60.127 62.100 0.199 0.000 1.026 199 T CB 2.788 71.716 68.868 0.100 0.000 1.390 199 T HN -0.361 7.745 8.240 -0.223 0.000 0.513 200 N N -2.666 116.143 118.700 0.181 0.000 2.362 200 N HA -0.019 nan 4.740 nan 0.000 0.211 200 N C 0.848 176.369 175.510 0.018 0.000 1.170 200 N CA 0.043 53.138 53.050 0.074 0.000 0.828 200 N CB -1.466 37.111 38.487 0.150 0.000 1.034 200 N HN 0.267 8.742 8.380 0.159 0.000 0.475 201 E N 1.460 121.631 120.200 -0.047 0.000 2.110 201 E HA -0.369 nan 4.350 nan 0.000 0.193 201 E C 0.798 177.339 176.600 -0.099 0.000 0.988 201 E CA 3.141 59.506 56.400 -0.059 0.000 0.804 201 E CB -0.333 29.318 29.700 -0.082 0.000 0.745 201 E HN -0.714 7.500 8.360 -0.063 0.109 0.458 202 F N -0.183 119.530 119.950 -0.395 0.000 2.154 202 F HA -0.400 nan 4.527 nan 0.000 0.301 202 F C 1.633 177.147 175.800 -0.476 0.000 1.087 202 F CA 3.313 61.021 58.000 -0.488 0.000 1.274 202 F CB -0.069 38.515 39.000 -0.694 0.000 1.009 202 F HN -0.048 8.155 8.300 -0.162 0.000 0.485 203 Y N -2.809 117.418 120.300 -0.123 0.000 2.243 203 Y HA -0.336 nan 4.550 nan 0.000 0.293 203 Y C 2.128 177.944 175.900 -0.140 0.000 1.124 203 Y CA 3.759 61.747 58.100 -0.186 0.000 1.159 203 Y CB -0.467 37.937 38.460 -0.094 0.000 1.008 203 Y HN -0.471 7.567 8.280 -0.362 0.025 0.527 204 L N -0.590 120.666 121.223 0.055 0.000 2.017 204 L HA -0.556 nan 4.340 nan 0.000 0.208 204 L C 2.050 178.941 176.870 0.034 0.000 1.073 204 L CA 3.354 58.216 54.840 0.037 0.000 0.745 204 L CB -0.621 41.459 42.059 0.035 0.000 0.894 204 L HN -0.627 7.649 8.230 0.077 0.000 0.432 205 N N -0.685 118.029 118.700 0.024 0.000 2.120 205 N HA -0.287 nan 4.740 nan 0.000 0.188 205 N C 2.457 178.156 175.510 0.315 0.000 1.024 205 N CA 2.979 56.122 53.050 0.154 0.000 0.852 205 N CB -0.547 38.047 38.487 0.179 0.000 1.003 205 N HN 0.111 8.477 8.380 -0.022 0.000 0.424 206 L N -0.131 121.114 121.223 0.035 0.000 2.079 206 L HA -0.237 nan 4.340 nan 0.000 0.210 206 L C 2.152 179.079 176.870 0.096 0.000 1.081 206 L CA 3.093 57.909 54.840 -0.039 0.000 0.752 206 L CB -0.071 41.673 42.059 -0.525 0.000 0.896 206 L HN -0.215 7.895 8.230 -0.200 0.000 0.433 207 L N -2.683 118.566 121.223 0.042 0.000 2.307 207 L HA -0.242 nan 4.340 nan 0.000 0.211 207 L C 1.284 178.189 176.870 0.059 0.000 1.099 207 L CA 2.180 57.042 54.840 0.037 0.000 0.816 207 L CB 0.029 42.093 42.059 0.007 0.000 0.952 207 L HN 0.029 8.264 8.230 0.008 0.000 0.455 208 N N -3.772 114.966 118.700 0.064 0.000 2.220 208 N HA 0.044 nan 4.740 nan 0.000 0.195 208 N C -0.338 175.149 175.510 -0.039 0.000 1.123 208 N CA 0.351 53.411 53.050 0.018 0.000 0.874 208 N CB 1.403 39.897 38.487 0.012 0.000 0.995 208 N HN 0.014 8.445 8.380 0.086 0.000 0.498 209 E N -0.172 119.974 120.200 -0.091 0.000 2.283 209 E HA 0.081 nan 4.350 nan 0.000 0.267 209 E C -0.900 175.415 176.600 -0.474 0.000 1.045 209 E CA -0.618 55.533 56.400 -0.414 0.000 0.884 209 E CB 1.226 30.405 29.700 -0.868 0.000 1.106 209 E HN -0.677 7.723 8.360 0.067 0.000 0.408 210 D N 3.301 123.445 120.400 -0.427 0.000 2.483 210 D HA 0.067 nan 4.640 nan 0.000 0.220 210 D C -1.051 175.111 176.300 -0.230 0.000 1.173 210 D CA -1.457 52.415 54.000 -0.214 0.000 0.964 210 D CB -0.754 39.965 40.800 -0.137 0.000 1.046 210 D HN 0.244 8.366 8.370 -0.414 0.000 0.517 211 W N 1.662 123.051 121.300 0.149 0.000 2.266 211 W HA 0.012 nan 4.660 nan 0.000 0.317 211 W C -0.630 176.062 176.519 0.288 0.000 1.310 211 W CA -0.858 56.624 57.345 0.228 0.000 1.207 211 W CB 0.734 30.368 29.460 0.290 0.000 1.199 211 W HN -0.615 7.619 8.180 0.090 0.000 0.544 212 K N 3.457 124.105 120.400 0.414 0.000 2.292 212 K HA 0.335 nan 4.320 nan 0.000 0.257 212 K C -1.579 174.980 176.600 -0.069 0.000 0.940 212 K CA -1.776 54.621 56.287 0.184 0.000 0.811 212 K CB 3.124 35.663 32.500 0.065 0.000 1.120 212 K HN 0.828 9.197 8.250 0.384 0.112 0.428 213 L N 5.989 126.907 121.223 -0.509 0.000 2.361 213 L HA 0.169 nan 4.340 nan 0.000 0.278 213 L C -0.973 175.631 176.870 -0.444 0.000 1.113 213 L CA 0.324 54.600 54.840 -0.939 0.000 0.849 213 L CB 0.569 41.856 42.059 -1.286 0.000 1.155 213 L HN 0.490 8.497 8.230 -0.373 0.000 0.452 214 E N 6.326 126.314 120.200 -0.354 0.000 2.383 214 E HA 0.364 nan 4.350 nan 0.000 0.275 214 E C -1.655 174.845 176.600 -0.167 0.000 0.918 214 E CA -1.918 54.363 56.400 -0.198 0.000 0.764 214 E CB 3.931 33.562 29.700 -0.114 0.000 1.252 214 E HN 0.503 8.616 8.360 -0.413 0.000 0.449 215 K N 1.051 121.376 120.400 -0.124 0.000 2.144 215 K HA 0.296 nan 4.320 nan 0.000 0.270 215 K C -0.526 176.024 176.600 -0.083 0.000 1.005 215 K CA 0.069 56.294 56.287 -0.103 0.000 0.932 215 K CB 1.144 33.590 32.500 -0.090 0.000 1.021 215 K HN 0.328 8.510 8.250 -0.115 0.000 0.462 216 N N 3.569 122.216 118.700 -0.088 0.000 2.671 216 N HA 0.215 nan 4.740 nan 0.000 0.303 216 N C 0.587 176.052 175.510 -0.076 0.000 1.277 216 N CA -1.257 51.749 53.050 -0.073 0.000 0.933 216 N CB 0.817 39.260 38.487 -0.073 0.000 1.190 216 N HN 0.278 8.593 8.380 -0.109 0.000 0.600 217 D N -1.634 118.729 120.400 -0.061 0.000 2.351 217 D HA -0.214 nan 4.640 nan 0.000 0.216 217 D C 0.016 176.275 176.300 -0.068 0.000 0.968 217 D CA 2.957 56.924 54.000 -0.055 0.000 0.899 217 D CB -0.600 40.177 40.800 -0.039 0.000 0.907 217 D HN 0.530 8.870 8.370 -0.050 0.000 0.514 218 A N -2.406 120.354 122.820 -0.099 0.000 2.308 218 A HA 0.016 nan 4.320 nan 0.000 0.217 218 A C -0.416 177.094 177.584 -0.122 0.000 1.216 218 A CA -0.140 51.829 52.037 -0.113 0.000 0.864 218 A CB 0.559 19.464 19.000 -0.159 0.000 0.902 218 A HN -0.353 7.939 8.150 -0.117 -0.213 0.499 219 N N -4.954 113.678 118.700 -0.113 0.000 2.818 219 N HA -0.462 nan 4.740 nan 0.000 0.250 219 N C -1.576 173.858 175.510 -0.126 0.000 1.108 219 N CA 1.253 54.242 53.050 -0.102 0.000 0.745 219 N CB -1.472 36.969 38.487 -0.076 0.000 1.104 219 N HN 0.173 8.315 8.380 -0.104 0.176 0.557 220 N N -0.606 117.981 118.700 -0.188 0.000 2.384 220 N HA 0.239 nan 4.740 nan 0.000 0.301 220 N C -1.545 173.886 175.510 -0.132 0.000 1.133 220 N CA -0.561 52.360 53.050 -0.215 0.000 0.853 220 N CB 2.612 40.775 38.487 -0.540 0.000 1.241 220 N HN -0.503 7.983 8.380 -0.208 -0.231 0.502 221 E N -0.274 119.902 120.200 -0.040 0.000 2.277 221 E HA 0.352 nan 4.350 nan 0.000 0.274 221 E C -1.310 175.338 176.600 0.081 0.000 1.022 221 E CA -0.030 56.343 56.400 -0.044 0.000 0.853 221 E CB 1.257 30.892 29.700 -0.108 0.000 1.086 221 E HN 0.352 8.706 8.360 -0.010 0.000 0.397 222 Q N -1.733 118.040 119.800 -0.045 0.000 2.482 222 Q HA 0.601 nan 4.340 nan 0.000 0.286 222 Q C -1.633 174.262 176.000 -0.174 0.000 1.007 222 Q CA -1.939 53.876 55.803 0.020 0.000 0.801 222 Q CB 3.706 32.555 28.738 0.184 0.000 1.455 222 Q HN 0.503 8.689 8.270 -0.140 0.000 0.398 223 W N 0.274 121.540 121.300 -0.057 0.000 2.332 223 W HA 0.140 nan 4.660 nan 0.000 0.306 223 W C -0.864 175.799 176.519 0.239 0.000 1.149 223 W CA 0.013 57.330 57.345 -0.048 0.000 1.271 223 W CB 0.615 29.852 29.460 -0.371 0.000 1.243 223 W HN 0.576 8.924 8.180 0.280 0.000 0.459 224 D N 4.771 125.419 120.400 0.413 0.000 2.185 224 D HA 0.742 nan 4.640 nan 0.000 0.247 224 D C -0.923 175.561 176.300 0.307 0.000 1.027 224 D CA -0.805 53.426 54.000 0.385 0.000 0.861 224 D CB 3.166 44.058 40.800 0.152 0.000 1.202 224 D HN 0.753 9.257 8.370 0.224 0.000 0.453 225 S N 1.192 116.930 115.700 0.063 0.000 2.621 225 S HA 0.607 nan 4.470 nan 0.000 0.302 225 S C 1.113 175.555 174.600 -0.264 0.000 1.093 225 S CA -1.754 56.258 58.200 -0.313 0.000 1.017 225 S CB 2.796 65.470 63.200 -0.877 0.000 1.077 225 S HN 0.471 8.878 8.310 0.162 0.000 0.517 226 K N 3.707 123.949 120.400 -0.263 0.000 2.127 226 K HA -0.315 nan 4.320 nan 0.000 0.208 226 K C 1.556 177.991 176.600 -0.275 0.000 1.047 226 K CA 2.956 59.113 56.287 -0.217 0.000 0.927 226 K CB -0.357 32.032 32.500 -0.185 0.000 0.716 226 K HN 0.842 8.935 8.250 -0.261 0.000 0.450 227 S N -2.956 112.485 115.700 -0.433 0.000 2.537 227 S HA -0.103 nan 4.470 nan 0.000 0.240 227 S C 1.052 175.263 174.600 -0.648 0.000 0.981 227 S CA 0.991 58.828 58.200 -0.606 0.000 0.948 227 S CB 0.347 62.924 63.200 -1.039 0.000 0.759 227 S HN -0.141 7.894 8.310 -0.454 0.002 0.531 228 G N -0.547 107.994 108.800 -0.432 0.000 2.144 228 G HA2 -0.371 nan 3.960 nan 0.000 0.218 228 G HA3 -0.371 nan 3.960 nan 0.000 0.218 228 G C -1.025 173.870 174.900 -0.008 0.000 0.988 228 G CA 0.015 44.994 45.100 -0.200 0.000 0.659 228 G HN -0.176 7.840 8.290 -0.342 0.069 0.522 229 Y N -1.628 118.700 120.300 0.048 0.000 2.488 229 Y HA 0.399 nan 4.550 nan 0.000 0.325 229 Y C -1.402 174.688 175.900 0.317 0.000 1.204 229 Y CA -3.231 54.963 58.100 0.157 0.000 1.229 229 Y CB 1.413 40.005 38.460 0.220 0.000 1.274 229 Y HN -0.935 7.060 8.280 -0.403 0.043 0.493 230 M N -2.562 117.353 119.600 0.524 0.000 2.619 230 M HA 0.842 nan 4.480 nan 0.000 0.297 230 M C -1.366 175.052 176.300 0.197 0.000 1.229 230 M CA -1.178 54.364 55.300 0.404 0.000 0.860 230 M CB 3.983 36.713 32.600 0.217 0.000 1.741 230 M HN 0.579 9.140 8.290 0.450 0.000 0.462 231 M N 0.308 119.914 119.600 0.011 0.000 2.263 231 M HA 0.389 nan 4.480 nan 0.000 0.295 231 M C -1.357 174.948 176.300 0.008 0.000 1.028 231 M CA -1.739 53.462 55.300 -0.165 0.000 0.921 231 M CB 3.795 36.038 32.600 -0.595 0.000 1.601 231 M HN 0.878 9.147 8.290 0.137 0.103 0.440 232 L N 3.517 124.727 121.223 -0.022 0.000 2.483 232 L HA -0.009 nan 4.340 nan 0.000 0.275 232 L C -0.863 176.066 176.870 0.099 0.000 1.220 232 L CA -0.254 54.552 54.840 -0.057 0.000 0.833 232 L CB -1.148 40.806 42.059 -0.175 0.000 1.102 232 L HN -0.029 8.393 8.230 -0.040 -0.216 0.490 233 P HA -0.323 nan 4.420 nan 0.000 0.216 233 P C 1.174 178.571 177.300 0.161 0.000 1.157 233 P CA 3.313 66.558 63.100 0.240 0.000 0.880 233 P CB -0.022 31.792 31.700 0.190 0.000 0.791 234 T N -5.222 109.390 114.554 0.097 0.000 2.867 234 T HA -0.359 nan 4.350 nan 0.000 0.268 234 T C 1.723 176.479 174.700 0.093 0.000 1.057 234 T CA 4.091 66.258 62.100 0.111 0.000 1.136 234 T CB -0.931 68.004 68.868 0.111 0.000 0.874 234 T HN -0.378 7.892 8.240 0.051 0.000 0.466 235 D N 2.658 123.114 120.400 0.094 0.000 2.097 235 D HA -0.232 nan 4.640 nan 0.000 0.197 235 D C 1.925 178.184 176.300 -0.068 0.000 0.984 235 D CA 3.145 57.205 54.000 0.100 0.000 0.826 235 D CB -0.590 40.296 40.800 0.143 0.000 0.973 235 D HN -0.311 8.012 8.370 0.084 0.098 0.460 236 Y N 1.526 121.662 120.300 -0.273 0.000 2.274 236 Y HA -0.395 nan 4.550 nan 0.000 0.290 236 Y C 1.686 177.402 175.900 -0.307 0.000 1.145 236 Y CA 3.233 61.034 58.100 -0.499 0.000 1.203 236 Y CB 0.190 38.132 38.460 -0.864 0.000 0.984 236 Y HN 0.102 8.415 8.280 0.054 0.000 0.533 237 S N 0.697 116.368 115.700 -0.048 0.000 2.409 237 S HA -0.478 nan 4.470 nan 0.000 0.237 237 S C 1.380 175.975 174.600 -0.008 0.000 1.060 237 S CA 4.535 62.743 58.200 0.013 0.000 1.052 237 S CB -0.599 62.678 63.200 0.128 0.000 0.871 237 S HN 0.329 8.674 8.310 0.057 0.000 0.465 238 L N -2.826 118.343 121.223 -0.090 0.000 2.353 238 L HA -0.254 nan 4.340 nan 0.000 0.220 238 L C 0.574 177.385 176.870 -0.097 0.000 1.133 238 L CA 2.157 56.954 54.840 -0.071 0.000 0.798 238 L CB -0.214 41.770 42.059 -0.125 0.000 0.922 238 L HN -0.739 7.383 8.230 -0.125 0.033 0.445 239 I N -9.492 110.906 120.570 -0.286 0.000 3.968 239 I HA 0.054 nan 4.170 nan 0.000 0.328 239 I C 0.863 176.833 176.117 -0.245 0.000 1.290 239 I CA 0.462 61.583 61.300 -0.298 0.000 1.163 239 I CB 0.492 38.210 38.000 -0.471 0.000 1.024 239 I HN -0.122 7.806 8.210 -0.432 0.023 0.413 240 Q N -0.049 119.625 119.800 -0.210 0.000 2.354 240 Q HA -0.097 nan 4.340 nan 0.000 0.203 240 Q C 0.206 176.193 176.000 -0.023 0.000 0.933 240 Q CA 1.124 56.869 55.803 -0.097 0.000 0.901 240 Q CB 0.791 29.501 28.738 -0.046 0.000 1.007 240 Q HN -0.495 7.519 8.270 -0.236 0.114 0.495 241 D N 0.094 120.505 120.400 0.018 0.000 2.232 241 D HA 0.384 nan 4.640 nan 0.000 0.242 241 D C -1.179 175.110 176.300 -0.018 0.000 1.093 241 D CA -3.006 50.998 54.000 0.005 0.000 0.845 241 D CB 2.553 43.364 40.800 0.019 0.000 1.124 241 D HN -0.649 7.746 8.370 0.041 0.000 0.467 242 P HA -0.162 nan 4.420 nan 0.000 0.216 242 P C 1.408 178.682 177.300 -0.043 0.000 1.150 242 P CA 2.135 65.210 63.100 -0.041 0.000 0.837 242 P CB 0.533 32.208 31.700 -0.042 0.000 0.786 243 K N -1.234 119.119 120.400 -0.078 0.000 2.007 243 K HA -0.212 nan 4.320 nan 0.000 0.206 243 K C 2.851 179.461 176.600 0.017 0.000 1.047 243 K CA 3.052 59.294 56.287 -0.076 0.000 0.937 243 K CB -0.222 32.184 32.500 -0.158 0.000 0.718 243 K HN -0.616 7.671 8.250 -0.112 -0.105 0.438 244 Y N -1.325 118.955 120.300 -0.034 0.000 2.207 244 Y HA -0.290 nan 4.550 nan 0.000 0.287 244 Y C 2.279 178.141 175.900 -0.063 0.000 1.156 244 Y CA 1.100 59.179 58.100 -0.036 0.000 1.182 244 Y CB -0.547 37.905 38.460 -0.015 0.000 0.979 244 Y HN -0.528 8.010 8.280 -0.072 -0.301 0.521 245 L N -0.851 120.420 121.223 0.080 0.000 2.046 245 L HA -0.408 nan 4.340 nan 0.000 0.208 245 L C 1.513 178.356 176.870 -0.044 0.000 1.077 245 L CA 3.064 57.898 54.840 -0.011 0.000 0.747 245 L CB -0.479 41.556 42.059 -0.039 0.000 0.896 245 L HN 0.246 8.528 8.230 0.087 0.000 0.432 246 S N -0.444 115.228 115.700 -0.047 0.000 2.399 246 S HA -0.341 nan 4.470 nan 0.000 0.231 246 S C 2.200 176.715 174.600 -0.142 0.000 1.022 246 S CA 3.441 61.593 58.200 -0.080 0.000 0.983 246 S CB -0.734 62.424 63.200 -0.070 0.000 0.803 246 S HN -0.448 7.843 8.310 -0.032 0.000 0.480 247 I N 1.408 121.886 120.570 -0.154 0.000 2.233 247 I HA -0.401 nan 4.170 nan 0.000 0.243 247 I C 1.316 177.158 176.117 -0.459 0.000 1.093 247 I CA 3.468 64.566 61.300 -0.337 0.000 1.380 247 I CB -0.268 37.594 38.000 -0.231 0.000 1.067 247 I HN -0.765 7.375 8.210 -0.075 0.026 0.413 248 V N 0.577 120.360 119.914 -0.217 0.000 2.277 248 V HA -0.621 nan 4.120 nan 0.000 0.253 248 V C 2.051 178.040 176.094 -0.176 0.000 1.067 248 V CA 4.974 67.201 62.300 -0.122 0.000 1.047 248 V CB -1.294 30.548 31.823 0.031 0.000 0.649 248 V HN -0.005 8.122 8.190 -0.105 0.000 0.447 249 K N -2.513 117.800 120.400 -0.145 0.000 2.103 249 K HA -0.413 nan 4.320 nan 0.000 0.207 249 K C 2.268 178.788 176.600 -0.133 0.000 1.048 249 K CA 3.745 59.966 56.287 -0.110 0.000 0.930 249 K CB -0.399 32.048 32.500 -0.087 0.000 0.716 249 K HN -0.338 7.835 8.250 -0.130 0.000 0.444 250 E N -0.209 119.854 120.200 -0.229 0.000 2.051 250 E HA -0.273 nan 4.350 nan 0.000 0.192 250 E C 2.645 179.161 176.600 -0.139 0.000 0.991 250 E CA 3.053 59.316 56.400 -0.227 0.000 0.799 250 E CB -0.222 29.258 29.700 -0.367 0.000 0.748 250 E HN -0.662 7.425 8.360 -0.278 0.106 0.449 251 Y N -2.565 117.582 120.300 -0.254 0.000 2.337 251 Y HA -0.189 nan 4.550 nan 0.000 0.293 251 Y C 1.695 177.450 175.900 -0.242 0.000 1.123 251 Y CA 0.656 58.551 58.100 -0.342 0.000 1.201 251 Y CB -0.524 37.380 38.460 -0.926 0.000 1.011 251 Y HN -0.414 7.528 8.280 -0.563 0.000 0.545 252 A N -1.395 121.400 122.820 -0.043 0.000 1.933 252 A HA -0.189 nan 4.320 nan 0.000 0.218 252 A C 1.042 178.641 177.584 0.025 0.000 1.175 252 A CA 2.219 54.280 52.037 0.041 0.000 0.628 252 A CB -0.139 18.883 19.000 0.038 0.000 0.814 252 A HN -0.055 8.018 8.150 -0.127 0.000 0.444 253 N N -4.218 114.484 118.700 0.004 0.000 2.422 253 N HA -0.041 nan 4.740 nan 0.000 0.181 253 N C -0.621 174.901 175.510 0.019 0.000 1.080 253 N CA 0.921 53.975 53.050 0.006 0.000 0.893 253 N CB 1.221 39.702 38.487 -0.010 0.000 0.973 253 N HN -0.474 7.815 8.380 -0.020 0.079 0.456 254 D N -0.397 120.033 120.400 0.049 0.000 2.323 254 D HA 0.243 nan 4.640 nan 0.000 0.242 254 D C -0.918 175.437 176.300 0.091 0.000 1.347 254 D CA -0.485 53.549 54.000 0.058 0.000 0.988 254 D CB 1.146 41.988 40.800 0.070 0.000 1.314 254 D HN -0.557 7.725 8.370 0.065 0.127 0.564 255 Q N 4.922 124.730 119.800 0.013 0.000 2.124 255 Q HA -0.356 nan 4.340 nan 0.000 0.202 255 Q C 1.106 176.982 176.000 -0.206 0.000 0.977 255 Q CA 3.586 59.360 55.803 -0.048 0.000 0.850 255 Q CB 0.229 28.849 28.738 -0.196 0.000 0.901 255 Q HN 0.501 8.765 8.270 -0.011 0.000 0.429 256 D N -1.419 118.875 120.400 -0.177 0.000 2.144 256 D HA -0.250 nan 4.640 nan 0.000 0.199 256 D C 1.965 178.286 176.300 0.036 0.000 0.984 256 D CA 3.311 57.241 54.000 -0.116 0.000 0.834 256 D CB -0.591 40.172 40.800 -0.062 0.000 0.955 256 D HN -0.195 8.162 8.370 -0.133 -0.066 0.465 257 K N 0.318 120.776 120.400 0.095 0.000 2.057 257 K HA -0.212 nan 4.320 nan 0.000 0.207 257 K C 1.943 178.656 176.600 0.189 0.000 1.049 257 K CA 2.181 58.575 56.287 0.178 0.000 0.931 257 K CB -0.332 32.312 32.500 0.240 0.000 0.714 257 K HN -0.804 7.727 8.250 0.082 -0.232 0.440 258 F N 1.415 121.334 119.950 -0.053 0.000 2.095 258 F HA -0.370 nan 4.527 nan 0.000 0.298 258 F C 1.707 177.540 175.800 0.056 0.000 1.104 258 F CA 2.355 60.081 58.000 -0.456 0.000 1.232 258 F CB -0.295 38.481 39.000 -0.372 0.000 0.987 258 F HN -0.422 8.042 8.300 0.273 0.000 0.475 259 F N -1.244 118.460 119.950 -0.410 0.000 2.126 259 F HA -0.438 nan 4.527 nan 0.000 0.299 259 F C 2.421 178.138 175.800 -0.138 0.000 1.096 259 F CA 2.087 59.894 58.000 -0.321 0.000 1.255 259 F CB -0.893 38.028 39.000 -0.131 0.000 0.997 259 F HN 0.338 8.731 8.300 0.155 0.000 0.479 260 K N -0.240 120.238 120.400 0.130 0.000 2.026 260 K HA -0.415 nan 4.320 nan 0.000 0.208 260 K C 2.047 178.682 176.600 0.059 0.000 1.048 260 K CA 3.739 60.077 56.287 0.086 0.000 0.929 260 K CB -0.209 32.346 32.500 0.091 0.000 0.713 260 K HN -0.101 8.240 8.250 0.152 0.000 0.439 261 D N -0.922 119.517 120.400 0.064 0.000 2.149 261 D HA -0.169 nan 4.640 nan 0.000 0.201 261 D C 2.354 178.676 176.300 0.036 0.000 0.972 261 D CA 3.049 57.094 54.000 0.075 0.000 0.835 261 D CB -0.318 40.586 40.800 0.173 0.000 0.966 261 D HN -0.316 8.096 8.370 0.070 0.000 0.476 262 F N 1.273 121.136 119.950 -0.146 0.000 2.134 262 F HA -0.332 nan 4.527 nan 0.000 0.299 262 F C 1.431 177.192 175.800 -0.065 0.000 1.097 262 F CA 3.314 61.233 58.000 -0.136 0.000 1.264 262 F CB 0.613 39.398 39.000 -0.359 0.000 1.001 262 F HN 0.366 8.547 8.300 -0.019 0.108 0.479 263 S N -0.331 115.380 115.700 0.018 0.000 2.359 263 S HA -0.463 nan 4.470 nan 0.000 0.223 263 S C 2.244 176.823 174.600 -0.035 0.000 1.039 263 S CA 4.191 62.393 58.200 0.003 0.000 1.042 263 S CB -0.302 62.906 63.200 0.013 0.000 0.915 263 S HN -0.208 8.140 8.310 0.063 0.000 0.439 264 K N 0.098 120.478 120.400 -0.034 0.000 2.032 264 K HA -0.313 nan 4.320 nan 0.000 0.209 264 K C 2.243 178.808 176.600 -0.059 0.000 1.048 264 K CA 3.166 59.432 56.287 -0.035 0.000 0.927 264 K CB -0.066 32.428 32.500 -0.010 0.000 0.712 264 K HN -0.714 7.528 8.250 -0.015 0.000 0.441 265 A N -1.229 121.538 122.820 -0.088 0.000 1.930 265 A HA -0.152 nan 4.320 nan 0.000 0.217 265 A C 2.011 179.529 177.584 -0.110 0.000 1.175 265 A CA 2.855 54.834 52.037 -0.096 0.000 0.627 265 A CB -0.667 18.269 19.000 -0.107 0.000 0.815 265 A HN -0.183 7.916 8.150 -0.086 0.000 0.443 266 F N -0.240 119.457 119.950 -0.421 0.000 2.163 266 F HA -0.301 nan 4.527 nan 0.000 0.297 266 F C 1.275 176.996 175.800 -0.132 0.000 1.094 266 F CA 2.764 60.544 58.000 -0.366 0.000 1.290 266 F CB 0.586 39.152 39.000 -0.722 0.000 1.017 266 F HN 0.109 8.239 8.300 -0.284 0.000 0.483 267 E N 0.268 120.405 120.200 -0.105 0.000 2.070 267 E HA -0.572 nan 4.350 nan 0.000 0.197 267 E C 1.808 178.322 176.600 -0.144 0.000 1.004 267 E CA 3.598 59.922 56.400 -0.127 0.000 0.805 267 E CB -0.245 29.413 29.700 -0.070 0.000 0.744 267 E HN -0.284 8.069 8.360 -0.011 0.000 0.451 268 K N -0.973 119.363 120.400 -0.106 0.000 2.063 268 K HA -0.337 nan 4.320 nan 0.000 0.208 268 K C 2.418 178.957 176.600 -0.101 0.000 1.048 268 K CA 3.028 59.261 56.287 -0.090 0.000 0.928 268 K CB -0.090 32.381 32.500 -0.049 0.000 0.713 268 K HN -0.591 7.607 8.250 -0.087 0.000 0.442 269 L N -1.404 119.774 121.223 -0.075 0.000 2.042 269 L HA -0.290 nan 4.340 nan 0.000 0.210 269 L C 1.840 178.650 176.870 -0.099 0.000 1.076 269 L CA 2.956 57.785 54.840 -0.019 0.000 0.749 269 L CB -0.072 42.032 42.059 0.076 0.000 0.893 269 L HN -0.276 7.911 8.230 -0.072 0.000 0.432 270 L N -3.971 117.133 121.223 -0.199 0.000 2.291 270 L HA -0.271 nan 4.340 nan 0.000 0.214 270 L C 1.385 178.182 176.870 -0.121 0.000 1.120 270 L CA 2.322 57.060 54.840 -0.170 0.000 0.799 270 L CB 0.147 42.074 42.059 -0.219 0.000 0.925 270 L HN -0.292 7.772 8.230 -0.277 0.000 0.446 271 E N -3.714 116.406 120.200 -0.132 0.000 2.476 271 E HA 0.040 nan 4.350 nan 0.000 0.199 271 E C -0.268 176.199 176.600 -0.223 0.000 1.021 271 E CA -0.065 56.290 56.400 -0.075 0.000 0.907 271 E CB 0.852 30.560 29.700 0.013 0.000 0.974 271 E HN -0.443 7.707 8.360 -0.148 0.121 0.489 272 D N 0.722 120.875 120.400 -0.413 0.000 2.493 272 D HA -0.194 nan 4.640 nan 0.000 0.240 272 D C 0.357 175.955 176.300 -1.170 0.000 1.142 272 D CA 2.155 55.608 54.000 -0.912 0.000 0.872 272 D CB 0.031 40.064 40.800 -1.279 0.000 1.173 272 D HN -0.676 7.503 8.370 -0.318 0.000 0.467 273 G N 0.585 108.740 108.800 -1.075 0.000 2.175 273 G HA2 -0.345 nan 3.960 nan 0.000 0.244 273 G HA3 -0.345 nan 3.960 nan 0.000 0.244 273 G C -1.302 173.483 174.900 -0.191 0.000 0.982 273 G CA 0.480 45.318 45.100 -0.437 0.000 0.641 273 G HN 0.334 8.067 8.290 -0.928 0.000 0.527 274 I N 0.208 120.587 120.570 -0.317 0.000 2.433 274 I HA 0.340 nan 4.170 nan 0.000 0.292 274 I C -1.178 174.627 176.117 -0.520 0.000 1.001 274 I CA -1.604 59.437 61.300 -0.431 0.000 1.119 274 I CB 1.277 38.994 38.000 -0.472 0.000 1.289 274 I HN -0.634 7.307 8.210 -0.356 0.056 0.438 275 T N 8.460 122.712 114.554 -0.502 0.000 2.767 275 T HA 0.357 nan 4.350 nan 0.000 0.288 275 T C -1.223 173.155 174.700 -0.536 0.000 0.963 275 T CA -0.421 61.448 62.100 -0.384 0.000 1.019 275 T CB 0.643 69.380 68.868 -0.219 0.000 0.923 275 T HN 0.749 8.713 8.240 -0.459 0.000 0.468 276 F N 6.804 126.709 119.950 -0.076 0.000 2.385 276 F HA 0.368 nan 4.527 nan 0.000 0.360 276 F C -1.917 173.847 175.800 -0.060 0.000 1.122 276 F CA -3.494 54.460 58.000 -0.077 0.000 1.090 276 F CB 0.355 39.287 39.000 -0.113 0.000 1.150 276 F HN 0.243 8.530 8.300 -0.022 0.000 0.472 277 P HA 0.096 nan 4.420 nan 0.000 0.271 277 P C 0.394 177.722 177.300 0.047 0.000 1.218 277 P CA -0.869 62.256 63.100 0.042 0.000 0.780 277 P CB 0.870 32.588 31.700 0.029 0.000 0.901 278 K N 1.941 122.355 120.400 0.024 0.000 2.525 278 K HA -0.135 nan 4.320 nan 0.000 0.192 278 K C -0.461 176.142 176.600 0.006 0.000 1.029 278 K CA 1.811 58.105 56.287 0.010 0.000 1.029 278 K CB -0.183 32.317 32.500 -0.001 0.000 0.814 278 K HN 0.446 8.707 8.250 0.017 0.000 0.503 279 D N -2.782 117.627 120.400 0.015 0.000 2.269 279 D HA -0.118 nan 4.640 nan 0.000 0.208 279 D C 0.091 176.402 176.300 0.018 0.000 0.963 279 D CA 0.087 54.097 54.000 0.016 0.000 0.864 279 D CB -0.926 39.887 40.800 0.023 0.000 0.936 279 D HN -0.399 7.940 8.370 0.019 0.043 0.505 280 A N 2.278 125.113 122.820 0.025 0.000 2.555 280 A HA -0.039 nan 4.320 nan 0.000 0.233 280 A C -1.432 176.123 177.584 -0.047 0.000 1.060 280 A CA -0.816 51.231 52.037 0.017 0.000 0.759 280 A CB -0.311 18.727 19.000 0.064 0.000 0.995 280 A HN -0.289 7.720 8.150 0.034 0.162 0.506 281 P HA -0.036 nan 4.420 nan 0.000 0.266 281 P C -0.878 176.249 177.300 -0.289 0.000 1.195 281 P CA -0.244 62.775 63.100 -0.135 0.000 0.768 281 P CB 0.531 32.177 31.700 -0.090 0.000 0.838 282 S N 2.539 118.093 115.700 -0.242 0.000 2.560 282 S HA -0.034 nan 4.470 nan 0.000 0.276 282 S C -0.780 173.534 174.600 -0.475 0.000 1.350 282 S CA -0.330 57.696 58.200 -0.291 0.000 1.024 282 S CB -0.600 62.486 63.200 -0.190 0.000 0.864 282 S HN -0.005 8.215 8.310 -0.150 0.000 0.536 283 P HA -0.079 nan 4.420 nan 0.000 0.263 283 P C -1.255 175.822 177.300 -0.372 0.000 1.175 283 P CA 0.245 63.049 63.100 -0.493 0.000 0.761 283 P CB 0.313 31.802 31.700 -0.352 0.000 0.794 284 F N 3.413 123.224 119.950 -0.230 0.000 2.396 284 F HA 0.082 nan 4.527 nan 0.000 0.343 284 F C -0.106 175.390 175.800 -0.507 0.000 1.104 284 F CA -1.092 56.683 58.000 -0.375 0.000 1.161 284 F CB 0.904 39.654 39.000 -0.417 0.000 1.146 284 F HN 0.457 8.457 8.300 -0.500 0.000 0.522 285 I N 3.999 124.413 120.570 -0.259 0.000 2.307 285 I HA 0.054 nan 4.170 nan 0.000 0.287 285 I C -1.180 174.810 176.117 -0.212 0.000 1.054 285 I CA -1.335 59.839 61.300 -0.210 0.000 1.218 285 I CB -0.739 37.189 38.000 -0.120 0.000 1.398 285 I HN 0.406 8.472 8.210 -0.239 0.000 0.475 286 F N 6.350 126.340 119.950 0.066 0.000 2.495 286 F HA -0.105 nan 4.527 nan 0.000 0.365 286 F C 0.052 175.672 175.800 -0.300 0.000 1.090 286 F CA -0.703 57.214 58.000 -0.139 0.000 1.235 286 F CB 0.162 38.847 39.000 -0.525 0.000 1.119 286 F HN 0.173 8.355 8.300 -0.196 0.000 0.562 287 K N 5.452 125.841 120.400 -0.018 0.000 2.448 287 K HA -0.084 nan 4.320 nan 0.000 0.278 287 K C 0.216 176.697 176.600 -0.198 0.000 1.009 287 K CA 0.821 57.065 56.287 -0.072 0.000 0.995 287 K CB 0.304 32.804 32.500 0.000 0.000 0.917 287 K HN -0.018 8.321 8.250 0.148 0.000 0.481 288 T N -1.561 112.974 114.554 -0.031 0.000 2.860 288 T HA 0.112 nan 4.350 nan 0.000 0.299 288 T C 1.626 176.389 174.700 0.105 0.000 1.045 288 T CA -0.718 61.444 62.100 0.104 0.000 1.071 288 T CB 1.193 70.139 68.868 0.130 0.000 0.985 288 T HN 0.066 8.641 8.240 0.005 -0.333 0.537 289 L N 1.306 122.626 121.223 0.161 0.000 2.051 289 L HA -0.475 nan 4.340 nan 0.000 0.214 289 L C 2.098 179.009 176.870 0.069 0.000 1.076 289 L CA 3.868 58.770 54.840 0.103 0.000 0.758 289 L CB -0.592 41.526 42.059 0.098 0.000 0.890 289 L HN -0.095 8.483 8.230 0.253 -0.196 0.433 290 E N -1.303 118.940 120.200 0.071 0.000 2.077 290 E HA -0.311 nan 4.350 nan 0.000 0.193 290 E C 1.949 178.577 176.600 0.046 0.000 0.989 290 E CA 2.729 59.162 56.400 0.056 0.000 0.800 290 E CB -0.527 29.208 29.700 0.059 0.000 0.746 290 E HN 0.199 8.610 8.360 0.085 0.000 0.452 291 E N -2.537 117.691 120.200 0.046 0.000 2.204 291 E HA -0.166 nan 4.350 nan 0.000 0.194 291 E C 1.348 177.967 176.600 0.032 0.000 0.989 291 E CA 2.010 58.431 56.400 0.036 0.000 0.824 291 E CB 0.058 29.777 29.700 0.031 0.000 0.756 291 E HN -0.633 7.679 8.360 0.054 0.081 0.477 292 Q N -3.196 116.624 119.800 0.033 0.000 2.408 292 Q HA -0.006 nan 4.340 nan 0.000 0.205 292 Q C 0.935 176.952 176.000 0.029 0.000 0.919 292 Q CA -0.009 55.812 55.803 0.029 0.000 0.932 292 Q CB 0.975 29.729 28.738 0.026 0.000 1.058 292 Q HN -0.596 7.577 8.270 0.039 0.120 0.517 293 G N -1.602 107.217 108.800 0.032 0.000 2.160 293 G HA2 -0.382 nan 3.960 nan 0.000 0.244 293 G HA3 -0.382 nan 3.960 nan 0.000 0.244 293 G C -1.066 173.852 174.900 0.030 0.000 1.022 293 G CA 0.477 45.594 45.100 0.030 0.000 0.741 293 G HN -0.291 7.851 8.290 0.036 0.169 0.508 294 L N 0.000 121.244 121.223 0.035 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.861 54.840 0.035 0.000 0.813 294 L CB 0.000 42.081 42.059 0.037 0.000 0.961 294 L HN 0.000 8.148 8.230 0.040 0.106 0.502