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 1ac8_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 0.000 176.656 176.870 -0.356 0.000 1.165 4 L CA 0.000 54.704 54.840 -0.227 0.000 0.813 4 L CB 0.000 41.924 42.059 -0.224 0.000 0.961 5 V N 2.963 122.649 119.914 -0.379 0.000 2.513 5 V HA 0.280 nan 4.120 nan 0.000 0.299 5 V C -1.060 174.727 176.094 -0.512 0.000 1.035 5 V CA -1.290 60.797 62.300 -0.355 0.000 0.889 5 V CB 1.517 33.229 31.823 -0.185 0.000 0.988 5 V HN 0.022 8.033 8.190 -0.298 0.000 0.440 6 H N 5.847 124.718 119.070 -0.331 0.000 2.860 6 H HA 0.291 nan 4.556 nan 0.000 0.312 6 H C -1.562 173.435 175.328 -0.551 0.000 0.995 6 H CA -1.070 54.574 56.048 -0.672 0.000 1.311 6 H CB 1.237 30.289 29.762 -1.183 0.000 1.478 6 H HN 0.456 8.549 8.280 -0.313 0.000 0.508 7 V N 4.293 124.093 119.914 -0.191 0.000 2.394 7 V HA 0.355 nan 4.120 nan 0.000 0.282 7 V C -0.628 175.493 176.094 0.045 0.000 1.031 7 V CA -1.511 60.729 62.300 -0.099 0.000 0.881 7 V CB 0.712 32.508 31.823 -0.044 0.000 0.982 7 V HN 0.730 8.852 8.190 -0.113 0.000 0.451 8 A N 8.214 130.985 122.820 -0.081 0.000 2.522 8 A HA 0.027 nan 4.320 nan 0.000 0.256 8 A C -1.401 176.214 177.584 0.052 0.000 1.086 8 A CA 0.630 52.649 52.037 -0.030 0.000 0.763 8 A CB -0.075 18.768 19.000 -0.262 0.000 1.024 8 A HN 0.644 8.631 8.150 -0.271 0.000 0.502 9 S N 4.661 120.411 115.700 0.084 0.000 2.669 9 S HA 0.104 nan 4.470 nan 0.000 0.315 9 S C -0.722 173.942 174.600 0.107 0.000 1.106 9 S CA -1.195 57.059 58.200 0.089 0.000 1.107 9 S CB 0.971 64.227 63.200 0.094 0.000 0.990 9 S HN 0.056 8.336 8.310 0.084 0.081 0.471 10 V N 6.056 126.045 119.914 0.125 0.000 2.557 10 V HA -0.124 nan 4.120 nan 0.000 0.301 10 V C 0.410 176.624 176.094 0.200 0.000 1.026 10 V CA 0.264 62.678 62.300 0.189 0.000 1.137 10 V CB 0.156 32.099 31.823 0.199 0.000 0.917 10 V HN 0.201 8.457 8.190 0.109 0.000 0.484 11 E N 5.658 126.029 120.200 0.285 0.000 2.608 11 E HA -0.253 nan 4.350 nan 0.000 0.259 11 E C -0.279 176.397 176.600 0.127 0.000 0.951 11 E CA 0.917 57.465 56.400 0.247 0.000 0.945 11 E CB 0.493 30.436 29.700 0.404 0.000 0.916 11 E HN 0.277 8.866 8.360 0.382 0.000 0.477 12 K N 6.292 126.737 120.400 0.075 0.000 2.437 12 K HA -0.321 nan 4.320 nan 0.000 0.277 12 K C 0.604 177.178 176.600 -0.044 0.000 1.073 12 K CA 1.429 57.731 56.287 0.024 0.000 1.105 12 K CB -0.088 32.425 32.500 0.021 0.000 0.881 12 K HN 0.530 8.838 8.250 0.096 0.000 0.475 13 G N 4.481 113.269 108.800 -0.019 0.000 2.189 13 G HA2 -0.407 nan 3.960 nan 0.000 0.267 13 G HA3 -0.407 nan 3.960 nan 0.000 0.267 13 G C 0.151 174.992 174.900 -0.098 0.000 0.975 13 G CA 0.367 45.438 45.100 -0.049 0.000 0.644 13 G HN 0.526 8.828 8.290 0.020 0.000 0.537 14 R N 0.413 120.838 120.500 -0.125 0.000 2.539 14 R HA 0.219 nan 4.340 nan 0.000 0.275 14 R C -0.487 175.841 176.300 0.046 0.000 1.077 14 R CA -0.814 55.151 56.100 -0.226 0.000 1.097 14 R CB 0.323 30.356 30.300 -0.445 0.000 1.018 14 R HN -0.356 7.800 8.270 -0.066 0.075 0.483 15 S N 3.068 118.784 115.700 0.026 0.000 2.851 15 S HA 0.319 nan 4.470 nan 0.000 0.313 15 S C -0.069 174.628 174.600 0.163 0.000 1.163 15 S CA -1.138 57.196 58.200 0.222 0.000 0.850 15 S CB 2.071 65.354 63.200 0.139 0.000 1.245 15 S HN 0.258 8.799 8.310 -0.167 -0.331 0.558 16 Y N 2.618 122.845 120.300 -0.123 0.000 2.096 16 Y HA -0.490 nan 4.550 nan 0.000 0.278 16 Y C 1.187 177.015 175.900 -0.121 0.000 1.192 16 Y CA 4.307 62.142 58.100 -0.440 0.000 1.143 16 Y CB 0.055 38.336 38.460 -0.298 0.000 0.963 16 Y HN 0.520 8.949 8.280 0.249 0.000 0.505 17 E N -3.181 116.878 120.200 -0.235 0.000 2.153 17 E HA -0.386 nan 4.350 nan 0.000 0.194 17 E C 2.562 179.006 176.600 -0.261 0.000 0.988 17 E CA 3.167 59.397 56.400 -0.285 0.000 0.811 17 E CB -0.832 28.821 29.700 -0.077 0.000 0.746 17 E HN -0.056 8.313 8.360 0.015 0.000 0.466 18 D N 0.054 120.296 120.400 -0.264 0.000 2.097 18 D HA -0.222 nan 4.640 nan 0.000 0.197 18 D C 2.381 178.526 176.300 -0.259 0.000 0.984 18 D CA 3.513 57.328 54.000 -0.307 0.000 0.826 18 D CB -0.156 40.258 40.800 -0.643 0.000 0.973 18 D HN -0.506 7.693 8.370 -0.244 0.025 0.460 19 F N -1.023 118.893 119.950 -0.057 0.000 2.259 19 F HA -0.169 nan 4.527 nan 0.000 0.298 19 F C 1.941 177.476 175.800 -0.443 0.000 1.088 19 F CA 3.120 61.053 58.000 -0.111 0.000 1.358 19 F CB -0.326 38.779 39.000 0.174 0.000 1.040 19 F HN -0.878 7.293 8.300 -0.215 0.000 0.505 20 Q N -0.300 119.336 119.800 -0.274 0.000 2.170 20 Q HA -0.342 nan 4.340 nan 0.000 0.203 20 Q C 2.019 177.863 176.000 -0.260 0.000 0.976 20 Q CA 3.181 58.770 55.803 -0.357 0.000 0.858 20 Q CB -0.636 27.820 28.738 -0.468 0.000 0.907 20 Q HN 0.270 8.371 8.270 -0.283 0.000 0.433 21 K N -0.327 119.924 120.400 -0.250 0.000 2.057 21 K HA -0.293 nan 4.320 nan 0.000 0.206 21 K C 2.395 178.738 176.600 -0.430 0.000 1.050 21 K CA 3.479 59.642 56.287 -0.207 0.000 0.935 21 K CB -0.094 32.356 32.500 -0.084 0.000 0.715 21 K HN -0.376 7.643 8.250 -0.249 0.082 0.439 22 V N 0.394 119.872 119.914 -0.727 0.000 2.295 22 V HA -0.373 nan 4.120 nan 0.000 0.246 22 V C 1.659 177.456 176.094 -0.495 0.000 1.049 22 V CA 4.464 66.236 62.300 -0.880 0.000 1.024 22 V CB -1.046 30.274 31.823 -0.838 0.000 0.648 22 V HN -0.465 7.296 8.190 -0.610 0.064 0.447 23 Y N -0.212 119.725 120.300 -0.605 0.000 2.040 23 Y HA -0.676 nan 4.550 nan 0.000 0.275 23 Y C 1.587 177.304 175.900 -0.304 0.000 1.171 23 Y CA 4.184 61.962 58.100 -0.537 0.000 1.123 23 Y CB -0.197 37.800 38.460 -0.772 0.000 0.963 23 Y HN 0.399 8.390 8.280 -0.482 0.000 0.493 24 N N -1.576 117.135 118.700 0.017 0.000 2.149 24 N HA -0.534 nan 4.740 nan 0.000 0.188 24 N C 2.069 177.541 175.510 -0.063 0.000 1.019 24 N CA 2.943 56.009 53.050 0.026 0.000 0.857 24 N CB -0.138 38.376 38.487 0.045 0.000 0.997 24 N HN -0.054 8.342 8.380 0.025 0.000 0.426 25 A N 0.798 123.563 122.820 -0.090 0.000 1.877 25 A HA -0.278 nan 4.320 nan 0.000 0.216 25 A C 1.964 179.478 177.584 -0.116 0.000 1.186 25 A CA 3.113 55.118 52.037 -0.053 0.000 0.620 25 A CB -0.676 18.356 19.000 0.054 0.000 0.822 25 A HN -0.252 7.819 8.150 -0.132 0.000 0.443 26 I N -1.391 119.071 120.570 -0.180 0.000 2.163 26 I HA -0.613 nan 4.170 nan 0.000 0.243 26 I C 1.855 177.924 176.117 -0.079 0.000 1.085 26 I CA 4.062 65.284 61.300 -0.130 0.000 1.347 26 I CB -0.297 37.581 38.000 -0.203 0.000 1.044 26 I HN -0.291 7.778 8.210 -0.235 0.000 0.408 27 A N -0.386 122.307 122.820 -0.213 0.000 1.933 27 A HA -0.264 nan 4.320 nan 0.000 0.218 27 A C 2.234 179.800 177.584 -0.031 0.000 1.175 27 A CA 3.209 55.153 52.037 -0.155 0.000 0.628 27 A CB -0.669 18.199 19.000 -0.220 0.000 0.814 27 A HN 0.166 8.112 8.150 -0.339 0.000 0.444 28 L N -1.930 119.276 121.223 -0.030 0.000 2.056 28 L HA -0.267 nan 4.340 nan 0.000 0.207 28 L C 1.894 178.767 176.870 0.004 0.000 1.078 28 L CA 2.359 57.197 54.840 -0.003 0.000 0.749 28 L CB -0.805 41.247 42.059 -0.012 0.000 0.901 28 L HN 0.182 8.377 8.230 -0.059 0.000 0.433 29 K N -0.016 120.368 120.400 -0.027 0.000 2.217 29 K HA -0.239 nan 4.320 nan 0.000 0.202 29 K C 2.502 179.207 176.600 0.176 0.000 1.051 29 K CA 3.257 59.514 56.287 -0.051 0.000 0.952 29 K CB -0.201 32.093 32.500 -0.343 0.000 0.736 29 K HN -0.426 7.790 8.250 -0.057 0.000 0.453 30 L N -1.933 119.458 121.223 0.280 0.000 2.083 30 L HA -0.365 nan 4.340 nan 0.000 0.209 30 L C 1.786 178.762 176.870 0.177 0.000 1.083 30 L CA 2.972 57.967 54.840 0.259 0.000 0.752 30 L CB -0.322 41.807 42.059 0.117 0.000 0.899 30 L HN 0.124 8.487 8.230 0.220 0.000 0.433 31 R N -2.674 117.898 120.500 0.120 0.000 2.073 31 R HA -0.216 nan 4.340 nan 0.000 0.229 31 R C 1.938 178.303 176.300 0.109 0.000 1.120 31 R CA 2.450 58.612 56.100 0.102 0.000 0.967 31 R CB 0.173 30.516 30.300 0.072 0.000 0.862 31 R HN -0.777 7.541 8.270 0.098 0.010 0.436 32 E N -1.008 119.250 120.200 0.097 0.000 2.028 32 E HA -0.192 nan 4.350 nan 0.000 0.190 32 E C 1.734 178.406 176.600 0.120 0.000 0.984 32 E CA 2.376 58.827 56.400 0.084 0.000 0.800 32 E CB 0.353 30.076 29.700 0.038 0.000 0.758 32 E HN -0.510 7.901 8.360 0.084 0.000 0.448 33 D N 0.542 121.046 120.400 0.173 0.000 2.994 33 D HA 0.134 nan 4.640 nan 0.000 0.240 33 D C 0.083 176.555 176.300 0.288 0.000 1.195 33 D CA -0.349 53.803 54.000 0.252 0.000 0.957 33 D CB -1.940 39.068 40.800 0.346 0.000 1.105 33 D HN -0.075 8.402 8.370 0.178 0.000 0.477 34 D N -1.117 119.387 120.400 0.174 0.000 2.317 34 D HA -0.244 nan 4.640 nan 0.000 0.211 34 D C 0.090 176.340 176.300 -0.083 0.000 0.966 34 D CA 2.080 56.155 54.000 0.126 0.000 0.876 34 D CB -0.166 40.741 40.800 0.179 0.000 0.927 34 D HN -0.267 8.114 8.370 0.157 0.083 0.519 35 E N -2.571 117.481 120.200 -0.246 0.000 2.285 35 E HA -0.268 nan 4.350 nan 0.000 0.194 35 E C 0.300 176.581 176.600 -0.532 0.000 0.997 35 E CA 0.013 55.919 56.400 -0.822 0.000 0.845 35 E CB -1.019 28.391 29.700 -0.483 0.000 0.782 35 E HN 0.101 8.381 8.360 -0.055 0.047 0.491 36 Y N 4.184 124.273 120.300 -0.352 0.000 2.895 36 Y HA -0.382 nan 4.550 nan 0.000 0.334 36 Y C -1.056 174.640 175.900 -0.339 0.000 1.261 36 Y CA 1.536 59.403 58.100 -0.389 0.000 1.560 36 Y CB 0.221 38.214 38.460 -0.778 0.000 1.253 36 Y HN -0.964 7.282 8.280 0.004 0.036 0.582 37 D N 6.630 126.403 120.400 -1.045 0.000 2.737 37 D HA -0.488 nan 4.640 nan 0.000 0.238 37 D C -0.951 175.148 176.300 -0.335 0.000 1.157 37 D CA 1.043 54.592 54.000 -0.751 0.000 0.694 37 D CB -0.871 39.357 40.800 -0.953 0.000 1.021 37 D HN 0.471 8.280 8.370 -0.934 0.000 0.420 38 N N -2.603 115.957 118.700 -0.234 0.000 2.688 38 N HA -0.432 nan 4.740 nan 0.000 0.258 38 N C -0.856 174.705 175.510 0.085 0.000 1.016 38 N CA 1.358 54.382 53.050 -0.043 0.000 0.747 38 N CB -1.033 37.460 38.487 0.009 0.000 0.895 38 N HN 0.408 8.629 8.380 -0.265 0.000 0.543 39 Y N -8.815 111.449 120.300 -0.059 0.000 4.604 39 Y HA -0.491 nan 4.550 nan 0.000 0.230 39 Y C 0.245 176.133 175.900 -0.019 0.000 1.066 39 Y CA 1.537 59.626 58.100 -0.019 0.000 1.990 39 Y CB -1.988 36.472 38.460 0.000 0.000 1.619 39 Y HN -0.188 7.725 8.280 -0.464 0.088 0.649 40 I N -2.414 118.149 120.570 -0.011 0.000 2.353 40 I HA -0.322 nan 4.170 nan 0.000 0.248 40 I C 0.729 176.859 176.117 0.022 0.000 1.119 40 I CA 1.959 63.260 61.300 0.001 0.000 1.417 40 I CB 0.584 38.557 38.000 -0.046 0.000 1.078 40 I HN -0.569 7.411 8.210 -0.091 0.175 0.421 41 G N -3.006 105.790 108.800 -0.007 0.000 2.757 41 G HA2 -0.287 nan 3.960 nan 0.000 0.638 41 G HA3 -0.287 nan 3.960 nan 0.000 0.638 41 G C -0.594 174.363 174.900 0.095 0.000 1.344 41 G CA -0.578 44.563 45.100 0.069 0.000 0.855 41 G HN -0.449 7.760 8.290 -0.101 0.020 0.537 42 Y N 0.077 120.397 120.300 0.033 0.000 2.561 42 Y HA -0.166 nan 4.550 nan 0.000 0.291 42 Y C 1.541 177.283 175.900 -0.263 0.000 1.141 42 Y CA 2.206 60.156 58.100 -0.249 0.000 1.303 42 Y CB -0.229 37.724 38.460 -0.846 0.000 1.015 42 Y HN 0.515 8.949 8.280 0.257 0.000 0.547 43 G N 0.055 108.841 108.800 -0.024 0.000 2.514 43 G HA2 -0.318 nan 3.960 nan 0.000 0.217 43 G HA3 -0.318 nan 3.960 nan 0.000 0.217 43 G C -1.300 173.602 174.900 0.003 0.000 1.198 43 G CA 2.369 47.447 45.100 -0.035 0.000 0.780 43 G HN 0.623 8.876 8.290 0.020 0.049 0.565 44 P HA -0.223 nan 4.420 nan 0.000 0.214 44 P C 0.996 178.338 177.300 0.070 0.000 1.163 44 P CA 2.676 65.811 63.100 0.058 0.000 0.883 44 P CB -0.638 31.098 31.700 0.059 0.000 0.788 45 V N -3.258 116.698 119.914 0.071 0.000 2.594 45 V HA -0.314 nan 4.120 nan 0.000 0.253 45 V C 1.689 177.786 176.094 0.004 0.000 1.069 45 V CA 3.009 65.339 62.300 0.049 0.000 1.082 45 V CB -0.587 31.280 31.823 0.074 0.000 0.680 45 V HN -0.158 8.087 8.190 0.092 0.000 0.469 46 L N -1.621 119.587 121.223 -0.024 0.000 2.109 46 L HA -0.260 nan 4.340 nan 0.000 0.207 46 L C 1.893 178.802 176.870 0.066 0.000 1.086 46 L CA 3.101 57.922 54.840 -0.033 0.000 0.760 46 L CB -0.462 41.531 42.059 -0.110 0.000 0.910 46 L HN -0.468 7.642 8.230 -0.037 0.098 0.437 47 V N -1.284 118.696 119.914 0.111 0.000 2.667 47 V HA -0.349 nan 4.120 nan 0.000 0.252 47 V C 1.242 177.516 176.094 0.299 0.000 1.065 47 V CA 3.352 65.793 62.300 0.235 0.000 1.083 47 V CB -0.772 31.141 31.823 0.151 0.000 0.692 47 V HN 0.065 8.298 8.190 0.071 0.000 0.468 48 R N 0.647 121.270 120.500 0.207 0.000 2.092 48 R HA -0.293 nan 4.340 nan 0.000 0.231 48 R C 1.773 178.115 176.300 0.070 0.000 1.119 48 R CA 3.422 59.664 56.100 0.236 0.000 0.970 48 R CB -0.069 30.287 30.300 0.093 0.000 0.864 48 R HN -0.143 8.212 8.270 0.142 0.000 0.440 49 L N -0.833 120.364 121.223 -0.044 0.000 2.017 49 L HA -0.309 nan 4.340 nan 0.000 0.208 49 L C 1.154 177.976 176.870 -0.080 0.000 1.073 49 L CA 3.009 57.731 54.840 -0.196 0.000 0.745 49 L CB -0.507 41.408 42.059 -0.240 0.000 0.894 49 L HN -0.024 8.194 8.230 -0.019 0.000 0.432 50 A N -1.467 121.413 122.820 0.099 0.000 1.933 50 A HA -0.277 nan 4.320 nan 0.000 0.218 50 A C 2.002 179.728 177.584 0.237 0.000 1.175 50 A CA 2.825 54.961 52.037 0.165 0.000 0.628 50 A CB -0.792 18.353 19.000 0.241 0.000 0.814 50 A HN -0.339 7.891 8.150 0.134 0.000 0.444 51 W N -0.945 120.499 121.300 0.241 0.000 2.379 51 W HA -0.427 nan 4.660 nan 0.000 0.307 51 W C 1.342 178.024 176.519 0.273 0.000 1.200 51 W CA 3.067 60.587 57.345 0.293 0.000 1.297 51 W CB 0.063 29.747 29.460 0.373 0.000 1.140 51 W HN -0.177 8.321 8.180 0.530 0.000 0.507 52 H N -0.724 118.013 119.070 -0.556 0.000 2.423 52 H HA -0.332 nan 4.556 nan 0.000 0.297 52 H C 2.535 177.665 175.328 -0.330 0.000 1.075 52 H CA 3.238 58.893 56.048 -0.654 0.000 1.342 52 H CB 0.914 30.399 29.762 -0.462 0.000 1.395 52 H HN -0.262 7.990 8.280 -0.046 0.000 0.530 53 I N -5.258 115.251 120.570 -0.100 0.000 2.676 53 I HA -0.259 nan 4.170 nan 0.000 0.259 53 I C 0.524 176.665 176.117 0.040 0.000 1.194 53 I CA 2.321 63.614 61.300 -0.012 0.000 1.473 53 I CB -0.377 37.644 38.000 0.035 0.000 1.096 53 I HN -0.350 7.796 8.210 -0.108 0.000 0.443 54 S N -0.583 115.139 115.700 0.036 0.000 2.439 54 S HA -0.014 nan 4.470 nan 0.000 0.224 54 S C 2.548 177.215 174.600 0.111 0.000 1.029 54 S CA 2.829 61.078 58.200 0.082 0.000 0.946 54 S CB 0.745 64.011 63.200 0.109 0.000 0.797 54 S HN -0.685 7.634 8.310 0.033 0.011 0.504 55 G N 0.896 109.677 108.800 -0.032 0.000 2.559 55 G HA2 -0.186 nan 3.960 nan 0.000 0.216 55 G HA3 -0.186 nan 3.960 nan 0.000 0.216 55 G C -0.396 174.498 174.900 -0.010 0.000 1.126 55 G CA 2.148 47.193 45.100 -0.091 0.000 0.778 55 G HN 0.365 8.559 8.290 -0.160 0.000 0.543 56 T N -2.528 112.036 114.554 0.016 0.000 3.160 56 T HA -0.078 nan 4.350 nan 0.000 0.257 56 T C 0.133 174.921 174.700 0.146 0.000 1.147 56 T CA -0.588 61.551 62.100 0.065 0.000 1.064 56 T CB -0.803 68.110 68.868 0.075 0.000 0.949 56 T HN -0.497 7.691 8.240 -0.000 0.052 0.526 57 W N 2.611 123.909 121.300 -0.004 0.000 2.170 57 W HA -0.181 nan 4.660 nan 0.000 0.342 57 W C -1.920 174.578 176.519 -0.035 0.000 1.294 57 W CA 0.839 58.185 57.345 0.002 0.000 1.246 57 W CB 0.632 30.102 29.460 0.016 0.000 1.156 57 W HN -0.539 7.767 8.180 0.322 0.068 0.572 58 D N 7.237 127.251 120.400 -0.643 0.000 2.505 58 D HA 0.306 nan 4.640 nan 0.000 0.250 58 D C 0.207 175.722 176.300 -1.307 0.000 1.164 58 D CA -1.749 51.796 54.000 -0.758 0.000 0.870 58 D CB 2.192 42.794 40.800 -0.331 0.000 1.160 58 D HN 0.234 8.298 8.370 -0.510 0.000 0.549 59 K N 6.313 125.750 120.400 -1.605 0.000 2.286 59 K HA -0.340 nan 4.320 nan 0.000 0.203 59 K C 1.034 177.231 176.600 -0.671 0.000 1.045 59 K CA 2.201 57.673 56.287 -1.358 0.000 0.935 59 K CB -0.189 31.751 32.500 -0.933 0.000 0.737 59 K HN 0.199 7.593 8.250 -1.427 0.000 0.460 60 H N -1.020 117.819 119.070 -0.385 0.000 2.403 60 H HA -0.104 nan 4.556 nan 0.000 0.298 60 H C 1.039 176.269 175.328 -0.163 0.000 1.059 60 H CA 1.917 57.837 56.048 -0.214 0.000 1.363 60 H CB 0.503 30.162 29.762 -0.172 0.000 1.410 60 H HN -0.140 7.955 8.280 -0.686 -0.227 0.528 61 D N -4.969 115.385 120.400 -0.076 0.000 2.527 61 D HA -0.060 nan 4.640 nan 0.000 0.224 61 D C 0.406 176.677 176.300 -0.048 0.000 1.217 61 D CA -0.843 53.127 54.000 -0.050 0.000 0.819 61 D CB 0.031 40.814 40.800 -0.029 0.000 1.061 61 D HN -0.597 7.679 8.370 -0.157 0.000 0.515 62 N N -1.460 117.188 118.700 -0.086 0.000 2.693 62 N HA -0.483 nan 4.740 nan 0.000 0.249 62 N C -1.104 174.538 175.510 0.219 0.000 1.119 62 N CA 1.044 54.162 53.050 0.114 0.000 0.717 62 N CB -1.073 37.502 38.487 0.147 0.000 1.071 62 N HN -0.109 8.144 8.380 -0.211 0.000 0.555 63 T N -7.459 107.148 114.554 0.089 0.000 2.874 63 T HA 0.383 nan 4.350 nan 0.000 0.281 63 T C -0.020 174.809 174.700 0.215 0.000 0.994 63 T CA -1.420 60.780 62.100 0.165 0.000 1.015 63 T CB 2.158 71.074 68.868 0.081 0.000 1.028 63 T HN -0.880 7.512 8.240 -0.038 -0.175 0.523 64 G N 3.019 111.953 108.800 0.224 0.000 2.598 64 G HA2 -0.475 nan 3.960 nan 0.000 0.244 64 G HA3 -0.475 nan 3.960 nan 0.000 0.244 64 G C -0.801 174.288 174.900 0.314 0.000 1.302 64 G CA -0.287 44.953 45.100 0.235 0.000 0.903 64 G HN 0.368 8.778 8.290 0.201 0.000 0.575 65 G N -1.322 107.647 108.800 0.281 0.000 2.746 65 G HA2 -0.297 nan 3.960 nan 0.000 0.685 65 G HA3 -0.297 nan 3.960 nan 0.000 0.685 65 G C 0.673 175.646 174.900 0.122 0.000 1.350 65 G CA -0.453 44.759 45.100 0.186 0.000 0.837 65 G HN -0.151 8.246 8.290 0.240 0.037 0.564 66 S N 0.974 116.713 115.700 0.066 0.000 2.453 66 S HA -0.284 nan 4.470 nan 0.000 0.231 66 S C 1.392 176.048 174.600 0.092 0.000 1.005 66 S CA 2.743 60.999 58.200 0.095 0.000 0.949 66 S CB 0.284 63.526 63.200 0.069 0.000 0.774 66 S HN 0.524 8.835 8.310 0.002 0.000 0.510 67 Y N 4.161 124.410 120.300 -0.086 0.000 2.069 67 Y HA -0.443 nan 4.550 nan 0.000 0.278 67 Y C 0.839 176.691 175.900 -0.080 0.000 1.175 67 Y CA 3.291 61.305 58.100 -0.142 0.000 1.134 67 Y CB -0.111 38.152 38.460 -0.329 0.000 0.965 67 Y HN 0.130 8.444 8.280 0.117 0.036 0.498 68 G N -6.364 102.471 108.800 0.058 0.000 2.712 68 G HA2 -0.163 nan 3.960 nan 0.000 0.212 68 G HA3 -0.163 nan 3.960 nan 0.000 0.212 68 G C -0.331 174.625 174.900 0.094 0.000 1.142 68 G CA -0.240 44.898 45.100 0.064 0.000 0.789 68 G HN -0.055 8.320 8.290 0.142 0.000 0.535 69 G N -0.755 108.127 108.800 0.136 0.000 2.225 69 G HA2 -0.480 nan 3.960 nan 0.000 0.267 69 G HA3 -0.480 nan 3.960 nan 0.000 0.267 69 G C 0.684 175.765 174.900 0.302 0.000 1.024 69 G CA 1.084 46.323 45.100 0.232 0.000 0.784 69 G HN -0.493 7.815 8.290 0.119 0.053 0.507 70 T N -3.576 111.170 114.554 0.320 0.000 3.113 70 T HA -0.281 nan 4.350 nan 0.000 0.263 70 T C 1.051 175.951 174.700 0.334 0.000 1.143 70 T CA 1.658 63.990 62.100 0.386 0.000 1.090 70 T CB -0.939 68.192 68.868 0.439 0.000 0.922 70 T HN 0.177 8.566 8.240 0.297 0.030 0.521 71 Y N 3.993 124.423 120.300 0.216 0.000 2.403 71 Y HA -0.300 nan 4.550 nan 0.000 0.291 71 Y C 0.435 176.424 175.900 0.148 0.000 1.143 71 Y CA 1.431 59.617 58.100 0.143 0.000 1.257 71 Y CB -0.446 37.998 38.460 -0.027 0.000 0.984 71 Y HN -0.577 7.940 8.280 0.483 0.052 0.550 72 R N -1.822 118.714 120.500 0.060 0.000 2.237 72 R HA -0.233 nan 4.340 nan 0.000 0.219 72 R C 0.320 176.332 176.300 -0.479 0.000 1.080 72 R CA 1.604 57.594 56.100 -0.183 0.000 0.995 72 R CB -0.055 30.185 30.300 -0.100 0.000 0.875 72 R HN -0.703 7.690 8.270 0.248 0.026 0.462 73 F N -0.935 118.996 119.950 -0.032 0.000 2.384 73 F HA 0.169 nan 4.527 nan 0.000 0.338 73 F C 0.739 176.483 175.800 -0.093 0.000 1.103 73 F CA -1.086 56.877 58.000 -0.061 0.000 1.157 73 F CB 0.422 39.426 39.000 0.006 0.000 1.167 73 F HN -0.458 7.534 8.300 -0.241 0.164 0.529 74 K N 4.253 124.714 120.400 0.101 0.000 2.107 74 K HA -0.491 nan 4.320 nan 0.000 0.211 74 K C 1.817 178.464 176.600 0.079 0.000 1.049 74 K CA 3.902 60.211 56.287 0.036 0.000 0.927 74 K CB -0.668 31.844 32.500 0.020 0.000 0.714 74 K HN 0.809 9.145 8.250 0.144 0.000 0.452 75 K N -1.476 118.979 120.400 0.092 0.000 2.009 75 K HA -0.372 nan 4.320 nan 0.000 0.210 75 K C 1.785 178.438 176.600 0.088 0.000 1.049 75 K CA 3.429 59.763 56.287 0.078 0.000 0.929 75 K CB -0.179 32.362 32.500 0.068 0.000 0.714 75 K HN 0.001 8.315 8.250 0.108 0.000 0.440 76 E N -2.341 117.929 120.200 0.117 0.000 2.112 76 E HA -0.220 nan 4.350 nan 0.000 0.190 76 E C 2.746 179.370 176.600 0.040 0.000 0.979 76 E CA 2.223 58.694 56.400 0.117 0.000 0.814 76 E CB 0.047 29.859 29.700 0.187 0.000 0.762 76 E HN -0.650 7.803 8.360 0.155 0.000 0.460 77 F N 0.023 119.798 119.950 -0.292 0.000 2.216 77 F HA -0.285 nan 4.527 nan 0.000 0.300 77 F C 0.294 175.975 175.800 -0.198 0.000 1.085 77 F CA 3.262 60.955 58.000 -0.512 0.000 1.326 77 F CB 0.359 38.986 39.000 -0.623 0.000 1.027 77 F HN -0.103 8.218 8.300 0.035 0.000 0.497 78 N N -3.555 115.181 118.700 0.061 0.000 2.270 78 N HA 0.012 nan 4.740 nan 0.000 0.198 78 N C -1.199 174.327 175.510 0.027 0.000 1.117 78 N CA -0.146 52.928 53.050 0.040 0.000 0.845 78 N CB 0.654 39.183 38.487 0.070 0.000 0.980 78 N HN -0.406 8.006 8.380 0.094 0.024 0.486 79 D N 2.766 123.186 120.400 0.033 0.000 2.487 79 D HA 0.060 nan 4.640 nan 0.000 0.243 79 D C -0.191 176.132 176.300 0.038 0.000 1.154 79 D CA -1.188 52.839 54.000 0.044 0.000 0.876 79 D CB 0.742 41.580 40.800 0.063 0.000 1.161 79 D HN -0.637 7.580 8.370 0.037 0.175 0.478 80 P HA -0.165 nan 4.420 nan 0.000 0.217 80 P C 1.229 178.566 177.300 0.062 0.000 1.148 80 P CA 2.138 65.262 63.100 0.041 0.000 0.828 80 P CB 0.290 32.013 31.700 0.039 0.000 0.783 81 S N -2.244 113.501 115.700 0.075 0.000 2.442 81 S HA -0.258 nan 4.470 nan 0.000 0.236 81 S C 0.637 175.360 174.600 0.206 0.000 1.007 81 S CA 2.974 61.246 58.200 0.120 0.000 0.965 81 S CB -0.540 62.693 63.200 0.055 0.000 0.773 81 S HN -0.269 8.300 8.310 0.059 -0.224 0.504 82 N N -0.835 117.952 118.700 0.144 0.000 2.270 82 N HA 0.084 nan 4.740 nan 0.000 0.198 82 N C -1.371 174.134 175.510 -0.008 0.000 1.117 82 N CA -0.714 52.403 53.050 0.111 0.000 0.845 82 N CB 0.333 38.904 38.487 0.139 0.000 0.980 82 N HN -0.469 7.803 8.380 0.095 0.165 0.486 83 A N -0.764 122.061 122.820 0.007 0.000 2.566 83 A HA -0.200 nan 4.320 nan 0.000 0.245 83 A C 0.476 178.039 177.584 -0.035 0.000 1.056 83 A CA 1.829 53.853 52.037 -0.021 0.000 0.757 83 A CB -0.514 18.494 19.000 0.012 0.000 0.979 83 A HN -0.548 7.461 8.150 0.046 0.169 0.508 84 G N 3.380 112.143 108.800 -0.061 0.000 2.258 84 G HA2 -0.423 nan 3.960 nan 0.000 0.233 84 G HA3 -0.423 nan 3.960 nan 0.000 0.233 84 G C 1.128 175.987 174.900 -0.070 0.000 1.006 84 G CA 0.871 45.930 45.100 -0.069 0.000 0.620 84 G HN 0.280 8.726 8.290 -0.071 -0.198 0.511 85 L N 1.546 122.705 121.223 -0.107 0.000 2.465 85 L HA -0.306 nan 4.340 nan 0.000 0.224 85 L C 0.764 177.605 176.870 -0.049 0.000 1.145 85 L CA 1.714 56.484 54.840 -0.117 0.000 0.834 85 L CB -0.627 41.300 42.059 -0.219 0.000 0.944 85 L HN 0.075 8.161 8.230 -0.116 0.075 0.451 86 Q N -0.870 118.864 119.800 -0.110 0.000 2.181 86 Q HA -0.417 nan 4.340 nan 0.000 0.205 86 Q C 2.203 178.319 176.000 0.193 0.000 0.980 86 Q CA 3.470 59.268 55.803 -0.010 0.000 0.862 86 Q CB -1.013 27.717 28.738 -0.013 0.000 0.905 86 Q HN 0.484 8.610 8.270 -0.171 0.042 0.429 87 N N -0.519 118.256 118.700 0.125 0.000 2.244 87 N HA -0.226 nan 4.740 nan 0.000 0.183 87 N C 2.234 177.837 175.510 0.154 0.000 1.016 87 N CA 2.701 55.841 53.050 0.151 0.000 0.866 87 N CB -0.481 38.077 38.487 0.118 0.000 0.980 87 N HN -0.550 7.854 8.380 0.066 0.015 0.430 88 G N -0.018 108.848 108.800 0.109 0.000 2.394 88 G HA2 -0.217 nan 3.960 nan 0.000 0.215 88 G HA3 -0.217 nan 3.960 nan 0.000 0.215 88 G C 0.804 175.809 174.900 0.176 0.000 1.165 88 G CA 1.516 46.659 45.100 0.071 0.000 0.784 88 G HN -0.363 7.870 8.290 0.074 0.101 0.535 89 F N 2.895 122.912 119.950 0.111 0.000 2.069 89 F HA -0.419 nan 4.527 nan 0.000 0.298 89 F C 1.323 177.249 175.800 0.210 0.000 1.113 89 F CA 3.645 61.790 58.000 0.242 0.000 1.214 89 F CB 0.359 39.624 39.000 0.443 0.000 0.978 89 F HN -0.317 8.191 8.300 0.346 0.000 0.474 90 K N -3.132 117.489 120.400 0.369 0.000 2.147 90 K HA -0.407 nan 4.320 nan 0.000 0.205 90 K C 1.970 178.568 176.600 -0.004 0.000 1.049 90 K CA 2.833 59.226 56.287 0.177 0.000 0.936 90 K CB -0.272 32.361 32.500 0.223 0.000 0.722 90 K HN -0.192 8.356 8.250 0.497 0.000 0.446 91 F N -0.821 119.001 119.950 -0.212 0.000 2.102 91 F HA -0.273 nan 4.527 nan 0.000 0.298 91 F C 1.044 176.669 175.800 -0.292 0.000 1.105 91 F CA 2.779 60.528 58.000 -0.418 0.000 1.239 91 F CB 0.713 39.282 39.000 -0.719 0.000 0.991 91 F HN -0.851 7.524 8.300 0.125 0.000 0.474 92 L N -3.259 117.966 121.223 0.004 0.000 2.313 92 L HA -0.354 nan 4.340 nan 0.000 0.214 92 L C 1.612 178.357 176.870 -0.210 0.000 1.119 92 L CA 1.973 56.759 54.840 -0.089 0.000 0.809 92 L CB -0.465 41.608 42.059 0.024 0.000 0.933 92 L HN -0.215 8.082 8.230 0.111 0.000 0.449 93 E N 0.604 120.645 120.200 -0.264 0.000 2.058 93 E HA -0.247 nan 4.350 nan 0.000 0.194 93 E C -1.109 175.388 176.600 -0.171 0.000 0.997 93 E CA 5.348 61.600 56.400 -0.247 0.000 0.801 93 E CB -1.707 27.842 29.700 -0.251 0.000 0.746 93 E HN -0.197 7.976 8.360 -0.259 0.032 0.450 94 P HA -0.259 nan 4.420 nan 0.000 0.217 94 P C 1.787 178.985 177.300 -0.170 0.000 1.158 94 P CA 2.824 65.809 63.100 -0.190 0.000 0.887 94 P CB -0.587 30.967 31.700 -0.243 0.000 0.792 95 I N -3.424 117.040 120.570 -0.177 0.000 2.439 95 I HA -0.424 nan 4.170 nan 0.000 0.251 95 I C 1.752 177.866 176.117 -0.005 0.000 1.139 95 I CA 3.546 64.797 61.300 -0.083 0.000 1.438 95 I CB -0.218 37.702 38.000 -0.134 0.000 1.085 95 I HN -0.836 7.231 8.210 -0.239 0.000 0.427 96 H N 0.848 119.815 119.070 -0.172 0.000 2.395 96 H HA -0.288 nan 4.556 nan 0.000 0.299 96 H C 1.552 176.768 175.328 -0.186 0.000 1.070 96 H CA 2.600 58.532 56.048 -0.193 0.000 1.356 96 H CB 0.357 29.987 29.762 -0.220 0.000 1.401 96 H HN -0.415 7.833 8.280 -0.052 0.000 0.524 97 K N -2.622 117.733 120.400 -0.076 0.000 2.057 97 K HA -0.202 nan 4.320 nan 0.000 0.207 97 K C 1.129 177.618 176.600 -0.185 0.000 1.049 97 K CA 1.660 57.861 56.287 -0.144 0.000 0.931 97 K CB 0.012 32.430 32.500 -0.136 0.000 0.714 97 K HN -0.459 7.751 8.250 -0.067 0.000 0.440 98 E N -1.526 118.532 120.200 -0.237 0.000 2.152 98 E HA -0.198 nan 4.350 nan 0.000 0.192 98 E C 0.270 176.423 176.600 -0.745 0.000 0.983 98 E CA 2.291 58.409 56.400 -0.469 0.000 0.818 98 E CB 0.930 30.312 29.700 -0.529 0.000 0.758 98 E HN -0.637 7.613 8.360 -0.183 0.000 0.467 99 F N -2.689 117.130 119.950 -0.218 0.000 2.449 99 F HA 0.441 nan 4.527 nan 0.000 0.329 99 F C -1.879 173.610 175.800 -0.518 0.000 1.245 99 F CA -3.220 54.507 58.000 -0.455 0.000 1.193 99 F CB 0.102 38.651 39.000 -0.752 0.000 1.425 99 F HN -0.321 7.907 8.300 -0.119 0.000 0.544 100 P HA -0.096 nan 4.420 nan 0.000 0.233 100 P C 0.349 177.652 177.300 0.005 0.000 1.167 100 P CA 1.276 64.314 63.100 -0.104 0.000 0.770 100 P CB -0.147 31.497 31.700 -0.095 0.000 0.837 101 W N -4.591 116.763 121.300 0.090 0.000 2.467 101 W HA -0.114 nan 4.660 nan 0.000 0.275 101 W C -0.531 176.058 176.519 0.117 0.000 1.239 101 W CA -1.759 55.633 57.345 0.078 0.000 1.266 101 W CB -0.633 28.855 29.460 0.046 0.000 1.112 101 W HN -0.601 7.562 8.180 0.046 0.045 0.576 102 I N 2.189 122.587 120.570 -0.286 0.000 2.588 102 I HA -0.078 nan 4.170 nan 0.000 0.283 102 I C -0.751 175.388 176.117 0.037 0.000 1.119 102 I CA -0.417 60.805 61.300 -0.129 0.000 1.419 102 I CB 1.208 38.847 38.000 -0.603 0.000 1.394 102 I HN -0.737 6.971 8.210 -0.837 0.000 0.562 103 S N 7.533 123.282 115.700 0.082 0.000 2.584 103 S HA 0.001 nan 4.470 nan 0.000 0.270 103 S C 1.046 175.538 174.600 -0.181 0.000 1.346 103 S CA 0.122 58.325 58.200 0.005 0.000 1.018 103 S CB 0.539 63.731 63.200 -0.014 0.000 0.899 103 S HN -0.008 8.676 8.310 0.182 -0.265 0.542 104 S N 4.665 120.236 115.700 -0.215 0.000 2.356 104 S HA -0.328 nan 4.470 nan 0.000 0.223 104 S C 2.124 176.322 174.600 -0.670 0.000 1.032 104 S CA 4.903 62.753 58.200 -0.583 0.000 1.005 104 S CB -0.261 62.721 63.200 -0.365 0.000 0.867 104 S HN 0.103 8.745 8.310 -0.091 -0.386 0.449 105 G N -0.020 108.631 108.800 -0.247 0.000 2.469 105 G HA2 -0.379 nan 3.960 nan 0.000 0.219 105 G HA3 -0.379 nan 3.960 nan 0.000 0.219 105 G C 0.740 175.646 174.900 0.010 0.000 1.150 105 G CA 2.220 47.289 45.100 -0.050 0.000 0.763 105 G HN -0.238 7.944 8.290 -0.180 0.000 0.561 106 D N 2.447 122.852 120.400 0.008 0.000 2.117 106 D HA -0.148 nan 4.640 nan 0.000 0.198 106 D C 2.176 178.549 176.300 0.122 0.000 0.982 106 D CA 2.994 57.142 54.000 0.247 0.000 0.828 106 D CB -0.263 40.747 40.800 0.351 0.000 0.967 106 D HN -0.792 7.540 8.370 -0.063 0.000 0.464 107 L N 0.366 121.472 121.223 -0.194 0.000 2.027 107 L HA -0.302 nan 4.340 nan 0.000 0.206 107 L C 1.584 178.374 176.870 -0.135 0.000 1.074 107 L CA 3.366 58.016 54.840 -0.317 0.000 0.745 107 L CB -0.252 41.423 42.059 -0.640 0.000 0.898 107 L HN -0.165 7.883 8.230 -0.302 0.000 0.433 108 F N -2.775 117.146 119.950 -0.050 0.000 2.134 108 F HA -0.368 nan 4.527 nan 0.000 0.299 108 F C 2.322 178.127 175.800 0.008 0.000 1.097 108 F CA 1.857 59.848 58.000 -0.016 0.000 1.264 108 F CB -1.260 37.751 39.000 0.019 0.000 1.001 108 F HN 0.153 8.149 8.300 -0.506 0.000 0.479 109 S N -0.207 115.634 115.700 0.235 0.000 2.387 109 S HA -0.315 nan 4.470 nan 0.000 0.226 109 S C 2.238 176.888 174.600 0.083 0.000 1.026 109 S CA 3.043 61.367 58.200 0.207 0.000 0.972 109 S CB 0.338 63.738 63.200 0.333 0.000 0.814 109 S HN 0.077 8.529 8.310 0.236 0.000 0.477 110 L N 2.624 123.773 121.223 -0.124 0.000 2.141 110 L HA -0.152 nan 4.340 nan 0.000 0.209 110 L C 1.837 178.541 176.870 -0.277 0.000 1.094 110 L CA 2.156 56.675 54.840 -0.534 0.000 0.763 110 L CB -0.451 41.083 42.059 -0.875 0.000 0.908 110 L HN 0.019 8.247 8.230 -0.004 0.000 0.437 111 G N -1.522 107.195 108.800 -0.139 0.000 2.440 111 G HA2 -0.426 nan 3.960 nan 0.000 0.218 111 G HA3 -0.426 nan 3.960 nan 0.000 0.218 111 G C 0.942 175.830 174.900 -0.019 0.000 1.154 111 G CA 2.548 47.600 45.100 -0.080 0.000 0.767 111 G HN 0.236 8.465 8.290 -0.102 0.000 0.552 112 G N 0.792 109.643 108.800 0.084 0.000 2.421 112 G HA2 -0.289 nan 3.960 nan 0.000 0.216 112 G HA3 -0.289 nan 3.960 nan 0.000 0.216 112 G C 1.072 176.144 174.900 0.287 0.000 1.171 112 G CA 1.755 47.000 45.100 0.242 0.000 0.775 112 G HN -0.663 7.678 8.290 0.085 0.000 0.543 113 V N 2.567 122.607 119.914 0.209 0.000 2.332 113 V HA -0.461 nan 4.120 nan 0.000 0.248 113 V C 2.163 178.334 176.094 0.128 0.000 1.055 113 V CA 4.386 66.816 62.300 0.217 0.000 1.038 113 V CB -0.740 31.171 31.823 0.147 0.000 0.651 113 V HN -0.218 8.041 8.190 0.115 0.000 0.450 114 T N 0.808 115.338 114.554 -0.039 0.000 2.777 114 T HA -0.288 nan 4.350 nan 0.000 0.266 114 T C 1.432 176.038 174.700 -0.157 0.000 1.040 114 T CA 4.956 66.902 62.100 -0.257 0.000 1.141 114 T CB -0.634 67.865 68.868 -0.615 0.000 0.868 114 T HN 0.177 8.362 8.240 -0.093 0.000 0.444 115 A N 0.988 123.752 122.820 -0.093 0.000 1.883 115 A HA -0.253 nan 4.320 nan 0.000 0.217 115 A C 1.717 179.278 177.584 -0.039 0.000 1.186 115 A CA 3.338 55.340 52.037 -0.059 0.000 0.624 115 A CB -0.882 18.097 19.000 -0.035 0.000 0.822 115 A HN -0.162 7.940 8.150 -0.080 0.000 0.444 116 V N -0.880 119.004 119.914 -0.051 0.000 2.261 116 V HA -0.562 nan 4.120 nan 0.000 0.246 116 V C 2.429 178.399 176.094 -0.208 0.000 1.047 116 V CA 4.677 66.856 62.300 -0.201 0.000 1.015 116 V CB -1.023 30.619 31.823 -0.301 0.000 0.642 116 V HN -0.386 7.805 8.190 0.002 0.000 0.446 117 Q N -1.816 117.939 119.800 -0.076 0.000 2.084 117 Q HA -0.343 nan 4.340 nan 0.000 0.202 117 Q C 3.174 179.199 176.000 0.043 0.000 0.978 117 Q CA 3.245 59.048 55.803 -0.001 0.000 0.844 117 Q CB -0.226 28.611 28.738 0.164 0.000 0.898 117 Q HN -0.268 7.997 8.270 -0.009 0.000 0.426 118 E N -0.421 119.805 120.200 0.044 0.000 2.204 118 E HA -0.199 nan 4.350 nan 0.000 0.194 118 E C 1.388 178.012 176.600 0.041 0.000 0.989 118 E CA 1.882 58.309 56.400 0.045 0.000 0.824 118 E CB -0.272 29.428 29.700 -0.001 0.000 0.756 118 E HN -0.139 8.234 8.360 0.021 0.000 0.477 119 M N -1.552 118.063 119.600 0.026 0.000 2.652 119 M HA 0.118 nan 4.480 nan 0.000 0.226 119 M C -1.162 175.189 176.300 0.086 0.000 1.244 119 M CA 0.007 55.343 55.300 0.060 0.000 0.986 119 M CB -0.344 32.300 32.600 0.074 0.000 1.666 119 M HN -0.246 8.042 8.290 -0.002 0.000 0.460 120 Q N -5.656 114.182 119.800 0.063 0.000 2.457 120 Q HA -0.468 nan 4.340 nan 0.000 0.283 120 Q C -0.412 175.631 176.000 0.072 0.000 1.234 120 Q CA 0.673 56.527 55.803 0.086 0.000 0.877 120 Q CB -3.325 25.501 28.738 0.146 0.000 1.250 120 Q HN -0.199 7.973 8.270 0.050 0.128 0.481 121 G N 1.591 110.270 108.800 -0.201 0.000 2.588 121 G HA2 0.118 nan 3.960 nan 0.000 0.278 121 G HA3 0.118 nan 3.960 nan 0.000 0.278 121 G C -1.839 172.669 174.900 -0.654 0.000 1.307 121 G CA -1.416 43.198 45.100 -0.809 0.000 1.016 121 G HN -0.071 8.068 8.290 -0.178 0.044 0.503 122 P HA -0.020 nan 4.420 nan 0.000 0.272 122 P C -1.256 175.916 177.300 -0.214 0.000 1.230 122 P CA -0.542 62.324 63.100 -0.391 0.000 0.788 122 P CB 0.820 32.283 31.700 -0.395 0.000 0.949 123 K N -1.034 119.325 120.400 -0.068 0.000 2.451 123 K HA -0.049 nan 4.320 nan 0.000 0.280 123 K C -0.426 176.178 176.600 0.005 0.000 1.020 123 K CA -0.172 56.108 56.287 -0.012 0.000 1.008 123 K CB -0.050 32.454 32.500 0.005 0.000 0.917 123 K HN 0.151 8.384 8.250 -0.030 0.000 0.478 124 I N 4.730 125.342 120.570 0.071 0.000 2.330 124 I HA 0.202 nan 4.170 nan 0.000 0.286 124 I C -1.677 174.510 176.117 0.116 0.000 1.025 124 I CA -4.790 56.576 61.300 0.110 0.000 1.197 124 I CB -1.370 36.761 38.000 0.219 0.000 1.358 124 I HN -0.020 8.557 8.210 0.108 -0.302 0.467 125 P HA -0.121 nan 4.420 nan 0.000 0.260 125 P C -2.152 175.196 177.300 0.080 0.000 1.172 125 P CA 0.246 63.348 63.100 0.004 0.000 0.760 125 P CB -0.010 31.644 31.700 -0.075 0.000 0.773 126 W N 6.877 128.110 121.300 -0.110 0.000 2.819 126 W HA 0.259 nan 4.660 nan 0.000 0.337 126 W C -2.772 173.618 176.519 -0.215 0.000 1.077 126 W CA -1.367 55.938 57.345 -0.067 0.000 1.226 126 W CB 4.047 33.610 29.460 0.172 0.000 1.419 126 W HN 0.626 8.889 8.180 0.138 0.000 0.502 127 R N 3.799 123.715 120.500 -0.972 0.000 2.562 127 R HA 0.516 nan 4.340 nan 0.000 0.298 127 R C -1.481 173.966 176.300 -1.421 0.000 0.961 127 R CA -1.645 53.800 56.100 -1.092 0.000 0.881 127 R CB 3.479 33.204 30.300 -0.958 0.000 1.159 127 R HN 0.308 7.943 8.270 -1.058 0.000 0.450 128 C N -1.964 116.678 119.300 -1.096 0.000 2.403 128 C HA 0.469 nan 4.460 nan 0.000 0.361 128 C C 0.641 175.495 174.990 -0.227 0.000 1.274 128 C CA -2.018 56.535 59.018 -0.775 0.000 2.433 128 C CB 0.614 28.011 27.740 -0.571 0.000 2.323 128 C HN 0.556 8.217 8.230 -0.948 0.000 0.614 129 G N 0.286 109.047 108.800 -0.064 0.000 2.227 129 G HA2 -0.233 nan 3.960 nan 0.000 0.168 129 G HA3 -0.233 nan 3.960 nan 0.000 0.168 129 G C -1.098 173.764 174.900 -0.062 0.000 1.006 129 G CA -0.280 44.827 45.100 0.012 0.000 0.684 129 G HN 0.218 8.892 8.290 -0.004 -0.386 0.489 130 R N 0.391 120.805 120.500 -0.144 0.000 2.679 130 R HA 0.017 nan 4.340 nan 0.000 0.268 130 R C -0.814 175.215 176.300 -0.451 0.000 1.044 130 R CA 1.106 56.956 56.100 -0.416 0.000 1.105 130 R CB 0.773 30.905 30.300 -0.281 0.000 0.989 130 R HN -0.463 7.974 8.270 -0.105 -0.229 0.447 131 V N 4.096 123.502 119.914 -0.847 0.000 2.531 131 V HA 0.101 nan 4.120 nan 0.000 0.301 131 V C -1.019 174.883 176.094 -0.321 0.000 1.034 131 V CA -1.403 60.651 62.300 -0.412 0.000 0.865 131 V CB 2.697 34.400 31.823 -0.201 0.000 0.995 131 V HN -0.134 6.967 8.190 -1.815 0.000 0.424 132 D N 4.943 125.278 120.400 -0.110 0.000 2.455 132 D HA -0.012 nan 4.640 nan 0.000 0.241 132 D C -0.259 176.089 176.300 0.080 0.000 1.138 132 D CA 1.007 55.003 54.000 -0.007 0.000 0.877 132 D CB 0.383 41.204 40.800 0.035 0.000 1.187 132 D HN -0.011 8.318 8.370 -0.068 0.000 0.451 133 T N -0.497 114.153 114.554 0.161 0.000 2.942 133 T HA 0.546 nan 4.350 nan 0.000 0.289 133 T C -2.033 172.825 174.700 0.264 0.000 1.044 133 T CA -3.323 58.902 62.100 0.208 0.000 1.023 133 T CB 0.530 69.537 68.868 0.231 0.000 1.123 133 T HN -0.218 8.129 8.240 0.178 0.000 0.512 134 P HA 0.255 nan 4.420 nan 0.000 0.272 134 P C 0.803 177.966 177.300 -0.229 0.000 1.230 134 P CA -1.243 61.892 63.100 0.057 0.000 0.788 134 P CB 0.727 32.432 31.700 0.010 0.000 0.949 135 E N 1.675 121.407 120.200 -0.781 0.000 2.187 135 E HA -0.431 nan 4.350 nan 0.000 0.199 135 E C 1.695 177.956 176.600 -0.566 0.000 1.004 135 E CA 3.871 59.412 56.400 -1.432 0.000 0.813 135 E CB -0.170 28.852 29.700 -1.131 0.000 0.736 135 E HN 0.553 8.599 8.360 -0.524 0.000 0.468 136 D N -5.133 115.097 120.400 -0.284 0.000 2.310 136 D HA -0.176 nan 4.640 nan 0.000 0.212 136 D C 1.277 177.544 176.300 -0.055 0.000 0.965 136 D CA 1.935 55.856 54.000 -0.130 0.000 0.879 136 D CB -0.942 39.812 40.800 -0.077 0.000 0.921 136 D HN 0.131 8.318 8.370 -0.262 0.026 0.510 137 T N -4.425 110.113 114.554 -0.027 0.000 3.113 137 T HA 0.033 nan 4.350 nan 0.000 0.256 137 T C 0.629 175.386 174.700 0.095 0.000 1.131 137 T CA 0.208 62.347 62.100 0.065 0.000 1.074 137 T CB 0.319 69.266 68.868 0.131 0.000 0.944 137 T HN -0.331 7.709 8.240 -0.070 0.158 0.516 138 T N 7.315 121.908 114.554 0.065 0.000 2.778 138 T HA 0.042 nan 4.350 nan 0.000 0.282 138 T C -1.540 173.220 174.700 0.101 0.000 0.983 138 T CA 0.062 62.240 62.100 0.130 0.000 1.193 138 T CB -0.548 68.389 68.868 0.115 0.000 0.938 138 T HN -0.590 7.466 8.240 -0.036 0.162 0.523 139 P HA 0.014 nan 4.420 nan 0.000 0.269 139 P C -1.476 175.869 177.300 0.075 0.000 1.209 139 P CA -0.685 62.469 63.100 0.091 0.000 0.776 139 P CB 0.668 32.429 31.700 0.101 0.000 0.876 140 D N 1.136 121.569 120.400 0.055 0.000 2.382 140 D HA -0.124 nan 4.640 nan 0.000 0.240 140 D C 0.274 176.604 176.300 0.050 0.000 1.146 140 D CA 0.548 54.577 54.000 0.047 0.000 0.897 140 D CB 0.659 41.481 40.800 0.036 0.000 1.197 140 D HN 0.092 8.492 8.370 0.049 0.000 0.432 141 N N -0.467 118.261 118.700 0.048 0.000 2.283 141 N HA -0.301 nan 4.740 nan 0.000 0.236 141 N C 1.103 176.640 175.510 0.044 0.000 1.252 141 N CA 1.302 54.379 53.050 0.045 0.000 0.856 141 N CB 0.012 38.524 38.487 0.042 0.000 1.099 141 N HN 0.296 8.704 8.380 0.048 0.000 0.444 142 G N 0.346 109.173 108.800 0.044 0.000 2.134 142 G HA2 -0.266 nan 3.960 nan 0.000 0.209 142 G HA3 -0.266 nan 3.960 nan 0.000 0.209 142 G C -0.262 174.685 174.900 0.079 0.000 0.993 142 G CA 0.315 45.449 45.100 0.058 0.000 0.669 142 G HN 0.321 8.633 8.290 0.037 0.000 0.519 143 R N -1.728 118.813 120.500 0.068 0.000 2.334 143 R HA 0.075 nan 4.340 nan 0.000 0.212 143 R C -0.269 176.145 176.300 0.189 0.000 0.897 143 R CA -0.238 55.926 56.100 0.108 0.000 1.056 143 R CB 0.754 31.089 30.300 0.059 0.000 1.046 143 R HN 0.050 8.346 8.270 0.043 0.000 0.513 144 L N -0.459 120.793 121.223 0.048 0.000 2.379 144 L HA 0.233 nan 4.340 nan 0.000 0.269 144 L C -1.930 174.856 176.870 -0.139 0.000 1.084 144 L CA -2.708 52.083 54.840 -0.083 0.000 0.802 144 L CB 0.014 41.868 42.059 -0.341 0.000 1.175 144 L HN -0.347 7.836 8.230 0.015 0.056 0.448 145 P HA 0.085 nan 4.420 nan 0.000 0.278 145 P C -1.592 175.674 177.300 -0.057 0.000 1.238 145 P CA -0.825 61.991 63.100 -0.473 0.000 0.794 145 P CB 0.581 31.668 31.700 -1.022 0.000 0.955 146 D N 3.673 124.102 120.400 0.048 0.000 2.339 146 D HA 0.050 nan 4.640 nan 0.000 0.245 146 D C 0.163 176.443 176.300 -0.034 0.000 1.115 146 D CA 0.085 54.067 54.000 -0.030 0.000 0.917 146 D CB 0.805 41.510 40.800 -0.159 0.000 1.192 146 D HN 0.028 8.529 8.370 0.219 0.000 0.428 147 A N -0.552 122.268 122.820 0.000 0.000 2.147 147 A HA 0.040 nan 4.320 nan 0.000 0.211 147 A C -0.358 177.196 177.584 -0.051 0.000 1.160 147 A CA 1.631 53.639 52.037 -0.049 0.000 0.781 147 A CB 0.473 19.347 19.000 -0.210 0.000 0.842 147 A HN 0.198 8.381 8.150 0.055 0.000 0.475 148 D N -4.523 115.877 120.400 0.001 0.000 2.413 148 D HA -0.017 nan 4.640 nan 0.000 0.237 148 D C -0.870 175.409 176.300 -0.035 0.000 1.171 148 D CA -0.422 53.599 54.000 0.036 0.000 0.839 148 D CB -1.680 39.168 40.800 0.079 0.000 0.950 148 D HN 0.276 8.643 8.370 -0.004 0.000 0.499 149 K N -1.300 119.051 120.400 -0.083 0.000 2.246 149 K HA 0.260 nan 4.320 nan 0.000 0.239 149 K C -1.587 175.061 176.600 0.081 0.000 1.089 149 K CA -1.767 54.455 56.287 -0.108 0.000 0.892 149 K CB 2.129 34.308 32.500 -0.535 0.000 1.334 149 K HN -0.773 7.367 8.250 -0.051 0.080 0.507 150 D N -4.473 116.021 120.400 0.157 0.000 2.592 150 D HA 0.252 nan 4.640 nan 0.000 0.259 150 D C 0.357 176.828 176.300 0.284 0.000 1.144 150 D CA -1.484 52.642 54.000 0.211 0.000 1.080 150 D CB 1.728 42.633 40.800 0.176 0.000 1.225 150 D HN -0.218 8.239 8.370 0.145 0.000 0.619 151 A N -1.789 121.188 122.820 0.261 0.000 1.948 151 A HA -0.287 nan 4.320 nan 0.000 0.220 151 A C 1.991 179.747 177.584 0.287 0.000 1.177 151 A CA 3.603 55.835 52.037 0.326 0.000 0.636 151 A CB -0.306 18.848 19.000 0.256 0.000 0.815 151 A HN 0.170 8.451 8.150 0.219 0.000 0.449 152 G N -2.746 106.179 108.800 0.208 0.000 2.422 152 G HA2 -0.291 nan 3.960 nan 0.000 0.218 152 G HA3 -0.291 nan 3.960 nan 0.000 0.218 152 G C 0.703 175.739 174.900 0.226 0.000 1.146 152 G CA 1.606 46.809 45.100 0.171 0.000 0.769 152 G HN -0.028 8.373 8.290 0.185 0.000 0.547 153 Y N 2.801 123.203 120.300 0.171 0.000 2.114 153 Y HA -0.430 nan 4.550 nan 0.000 0.284 153 Y C 1.620 177.681 175.900 0.269 0.000 1.143 153 Y CA 3.862 62.075 58.100 0.189 0.000 1.135 153 Y CB 0.157 38.708 38.460 0.153 0.000 0.980 153 Y HN -0.747 7.939 8.280 0.378 -0.180 0.499 154 V N -0.369 119.760 119.914 0.358 0.000 2.287 154 V HA -0.580 nan 4.120 nan 0.000 0.248 154 V C 1.984 178.349 176.094 0.452 0.000 1.053 154 V CA 4.547 67.088 62.300 0.400 0.000 1.027 154 V CB -1.136 30.956 31.823 0.449 0.000 0.646 154 V HN -0.246 8.245 8.190 0.502 0.000 0.447 155 R N -2.043 118.689 120.500 0.386 0.000 2.081 155 R HA -0.397 nan 4.340 nan 0.000 0.235 155 R C 2.124 178.555 176.300 0.218 0.000 1.131 155 R CA 3.785 60.078 56.100 0.321 0.000 0.960 155 R CB -0.097 30.307 30.300 0.173 0.000 0.856 155 R HN 0.170 8.665 8.270 0.375 0.000 0.436 156 T N 1.694 116.328 114.554 0.133 0.000 2.737 156 T HA -0.246 nan 4.350 nan 0.000 0.265 156 T C 1.819 176.518 174.700 -0.002 0.000 1.038 156 T CA 4.797 66.930 62.100 0.055 0.000 1.144 156 T CB -0.479 68.410 68.868 0.035 0.000 0.866 156 T HN -0.445 7.878 8.240 0.138 0.000 0.434 157 F N 2.882 122.705 119.950 -0.212 0.000 2.091 157 F HA -0.473 nan 4.527 nan 0.000 0.299 157 F C 1.420 177.134 175.800 -0.143 0.000 1.103 157 F CA 3.410 61.236 58.000 -0.291 0.000 1.228 157 F CB 0.255 38.917 39.000 -0.564 0.000 0.984 157 F HN 0.158 8.306 8.300 -0.075 0.107 0.477 158 F N -2.548 117.403 119.950 0.003 0.000 2.604 158 F HA -0.290 nan 4.527 nan 0.000 0.298 158 F C 1.710 177.475 175.800 -0.058 0.000 1.131 158 F CA 3.332 61.325 58.000 -0.013 0.000 1.457 158 F CB -0.425 38.680 39.000 0.174 0.000 1.095 158 F HN -0.189 8.369 8.300 0.429 0.000 0.574 159 Q N -0.540 119.314 119.800 0.089 0.000 2.226 159 Q HA -0.395 nan 4.340 nan 0.000 0.204 159 Q C 2.159 178.108 176.000 -0.085 0.000 0.975 159 Q CA 3.207 59.027 55.803 0.029 0.000 0.866 159 Q CB -0.508 28.245 28.738 0.024 0.000 0.915 159 Q HN -0.273 7.930 8.270 0.098 0.126 0.440 160 R N -0.303 120.070 120.500 -0.211 0.000 2.152 160 R HA -0.225 nan 4.340 nan 0.000 0.232 160 R C 0.654 176.765 176.300 -0.316 0.000 1.117 160 R CA 2.998 58.905 56.100 -0.323 0.000 0.981 160 R CB 0.087 30.147 30.300 -0.400 0.000 0.870 160 R HN -0.494 7.603 8.270 -0.260 0.017 0.451 161 L N -3.416 117.741 121.223 -0.109 0.000 2.848 161 L HA -0.000 nan 4.340 nan 0.000 0.240 161 L C -1.180 175.894 176.870 0.341 0.000 1.232 161 L CA -1.067 53.917 54.840 0.239 0.000 1.031 161 L CB -0.993 41.256 42.059 0.316 0.000 1.338 161 L HN -0.834 7.188 8.230 -0.143 0.121 0.509 162 N N -0.490 118.311 118.700 0.167 0.000 3.054 162 N HA -0.403 nan 4.740 nan 0.000 0.305 162 N C -0.979 174.631 175.510 0.166 0.000 1.084 162 N CA 1.049 54.188 53.050 0.148 0.000 0.842 162 N CB -1.134 37.415 38.487 0.102 0.000 0.953 162 N HN -0.487 7.833 8.380 0.014 0.069 0.625 163 M N 0.189 119.901 119.600 0.187 0.000 2.336 163 M HA 0.270 nan 4.480 nan 0.000 0.342 163 M C -0.592 175.776 176.300 0.114 0.000 1.128 163 M CA -1.610 53.777 55.300 0.145 0.000 1.016 163 M CB 0.931 33.636 32.600 0.174 0.000 1.665 163 M HN -0.272 8.126 8.290 0.220 0.024 0.445 164 N N 3.191 121.937 118.700 0.078 0.000 2.566 164 N HA 0.170 nan 4.740 nan 0.000 0.299 164 N C -0.035 175.531 175.510 0.093 0.000 1.277 164 N CA -1.081 52.018 53.050 0.081 0.000 0.965 164 N CB 0.923 39.449 38.487 0.064 0.000 1.142 164 N HN 0.600 9.354 8.380 0.064 -0.336 0.596 165 D N -0.547 119.928 120.400 0.125 0.000 2.117 165 D HA -0.322 nan 4.640 nan 0.000 0.197 165 D C 2.436 178.837 176.300 0.169 0.000 0.987 165 D CA 4.586 58.729 54.000 0.237 0.000 0.829 165 D CB -0.314 40.603 40.800 0.196 0.000 0.961 165 D HN 0.402 8.830 8.370 0.095 0.000 0.460 166 R N 0.302 120.866 120.500 0.108 0.000 2.081 166 R HA -0.355 nan 4.340 nan 0.000 0.235 166 R C 2.086 178.460 176.300 0.122 0.000 1.131 166 R CA 3.235 59.398 56.100 0.105 0.000 0.960 166 R CB -0.144 30.208 30.300 0.087 0.000 0.856 166 R HN -0.487 7.909 8.270 0.092 -0.071 0.436 167 E N -0.122 120.115 120.200 0.063 0.000 2.051 167 E HA -0.367 nan 4.350 nan 0.000 0.192 167 E C 2.491 179.033 176.600 -0.096 0.000 0.991 167 E CA 3.317 59.723 56.400 0.010 0.000 0.799 167 E CB -0.078 29.623 29.700 0.002 0.000 0.748 167 E HN -0.163 8.590 8.360 0.060 -0.357 0.449 168 V N 0.660 120.452 119.914 -0.203 0.000 2.287 168 V HA -0.374 nan 4.120 nan 0.000 0.248 168 V C 2.061 177.967 176.094 -0.314 0.000 1.053 168 V CA 4.714 66.716 62.300 -0.496 0.000 1.027 168 V CB -0.891 30.650 31.823 -0.470 0.000 0.646 168 V HN 0.223 8.345 8.190 -0.114 0.000 0.447 169 V N -1.182 118.660 119.914 -0.121 0.000 2.358 169 V HA -0.416 nan 4.120 nan 0.000 0.246 169 V C 1.827 178.111 176.094 0.316 0.000 1.047 169 V CA 4.350 66.673 62.300 0.038 0.000 1.035 169 V CB -1.427 30.441 31.823 0.075 0.000 0.658 169 V HN -0.059 8.092 8.190 -0.065 0.000 0.452 170 A N 0.104 123.159 122.820 0.391 0.000 1.877 170 A HA -0.246 nan 4.320 nan 0.000 0.216 170 A C 2.299 180.140 177.584 0.429 0.000 1.186 170 A CA 3.275 55.593 52.037 0.468 0.000 0.620 170 A CB -0.745 18.431 19.000 0.293 0.000 0.822 170 A HN 0.025 8.359 8.150 0.306 0.000 0.443 171 L N -1.159 120.135 121.223 0.118 0.000 2.013 171 L HA -0.332 nan 4.340 nan 0.000 0.212 171 L C 2.438 179.251 176.870 -0.095 0.000 1.073 171 L CA 2.626 57.471 54.840 0.008 0.000 0.753 171 L CB -0.638 41.290 42.059 -0.219 0.000 0.890 171 L HN 0.207 8.445 8.230 0.014 0.000 0.432 172 M N -1.194 118.243 119.600 -0.272 0.000 2.346 172 M HA -0.262 nan 4.480 nan 0.000 0.263 172 M C 2.338 178.042 176.300 -0.994 0.000 1.064 172 M CA 2.240 57.186 55.300 -0.589 0.000 1.083 172 M CB -0.780 31.554 32.600 -0.444 0.000 1.399 172 M HN 0.117 8.274 8.290 -0.223 0.000 0.435 173 G N -1.837 106.588 108.800 -0.625 0.000 2.479 173 G HA2 -0.352 nan 3.960 nan 0.000 0.220 173 G HA3 -0.352 nan 3.960 nan 0.000 0.220 173 G C 0.466 174.963 174.900 -0.671 0.000 1.115 173 G CA 1.746 46.343 45.100 -0.839 0.000 0.757 173 G HN -0.117 8.071 8.290 -0.110 0.036 0.560 174 A N 1.824 124.376 122.820 -0.447 0.000 2.070 174 A HA -0.236 nan 4.320 nan 0.000 0.220 174 A C 1.617 179.026 177.584 -0.292 0.000 1.159 174 A CA 2.098 53.920 52.037 -0.358 0.000 0.656 174 A CB -0.653 18.270 19.000 -0.129 0.000 0.800 174 A HN -0.406 7.569 8.150 -0.245 0.028 0.453 175 H N -1.808 116.941 119.070 -0.536 0.000 2.567 175 H HA -0.245 nan 4.556 nan 0.000 0.276 175 H C 0.191 175.374 175.328 -0.242 0.000 1.016 175 H CA 0.546 56.366 56.048 -0.381 0.000 1.186 175 H CB -0.293 29.222 29.762 -0.412 0.000 1.351 175 H HN -0.111 7.559 8.280 -0.762 0.153 0.605 176 A N -2.256 120.446 122.820 -0.197 0.000 2.070 176 A HA -0.170 nan 4.320 nan 0.000 0.220 176 A C 0.167 177.677 177.584 -0.124 0.000 1.159 176 A CA 1.016 52.977 52.037 -0.126 0.000 0.656 176 A CB 0.291 19.158 19.000 -0.222 0.000 0.800 176 A HN -0.616 7.246 8.150 -0.417 0.037 0.453 177 L N -2.465 118.685 121.223 -0.121 0.000 2.371 177 L HA -0.174 nan 4.340 nan 0.000 0.272 177 L C 1.029 177.884 176.870 -0.024 0.000 1.124 177 L CA 0.186 54.988 54.840 -0.063 0.000 0.816 177 L CB 0.258 42.294 42.059 -0.038 0.000 1.129 177 L HN -0.675 7.302 8.230 -0.149 0.163 0.448 178 G N 3.775 112.567 108.800 -0.013 0.000 2.547 178 G HA2 -0.408 nan 3.960 nan 0.000 0.271 178 G HA3 -0.408 nan 3.960 nan 0.000 0.271 178 G C -2.435 172.435 174.900 -0.050 0.000 1.209 178 G CA 0.776 45.875 45.100 -0.001 0.000 0.959 178 G HN 0.823 8.986 8.290 -0.015 0.118 0.563 179 K N -2.034 118.314 120.400 -0.087 0.000 2.658 179 K HA 0.411 nan 4.320 nan 0.000 0.293 179 K C -1.914 174.494 176.600 -0.319 0.000 1.026 179 K CA -1.501 54.663 56.287 -0.205 0.000 0.871 179 K CB 2.685 35.027 32.500 -0.265 0.000 1.524 179 K HN -0.341 7.904 8.250 -0.008 0.000 0.400 180 T N -2.516 111.880 114.554 -0.265 0.000 2.909 180 T HA 0.432 nan 4.350 nan 0.000 0.286 180 T C -0.216 174.284 174.700 -0.334 0.000 1.002 180 T CA -1.364 60.626 62.100 -0.184 0.000 1.074 180 T CB 1.023 69.885 68.868 -0.008 0.000 0.984 180 T HN 0.399 8.528 8.240 -0.186 0.000 0.495 181 H N 3.006 122.099 119.070 0.039 0.000 2.646 181 H HA 0.415 nan 4.556 nan 0.000 0.328 181 H C 0.027 175.372 175.328 0.028 0.000 0.998 181 H CA -1.097 54.962 56.048 0.019 0.000 1.225 181 H CB 1.135 30.898 29.762 0.002 0.000 1.457 181 H HN 0.492 8.857 8.280 0.141 0.000 0.505 182 L N 6.369 127.641 121.223 0.083 0.000 2.043 182 L HA -0.401 nan 4.340 nan 0.000 0.212 182 L C 0.855 177.745 176.870 0.033 0.000 1.075 182 L CA 4.133 58.993 54.840 0.034 0.000 0.752 182 L CB 0.297 42.356 42.059 -0.000 0.000 0.891 182 L HN 0.260 8.864 8.230 0.053 -0.342 0.432 183 K N -2.628 117.804 120.400 0.052 0.000 2.439 183 K HA -0.242 nan 4.320 nan 0.000 0.197 183 K C 0.802 177.427 176.600 0.042 0.000 1.041 183 K CA 2.316 58.624 56.287 0.034 0.000 0.970 183 K CB -0.430 32.088 32.500 0.029 0.000 0.773 183 K HN 0.263 8.554 8.250 0.069 0.000 0.479 184 N N -2.119 116.626 118.700 0.075 0.000 2.278 184 N HA -0.012 nan 4.740 nan 0.000 0.181 184 N C 0.867 176.428 175.510 0.086 0.000 1.023 184 N CA 2.198 55.290 53.050 0.070 0.000 0.862 184 N CB 0.836 39.373 38.487 0.084 0.000 1.003 184 N HN -0.457 7.860 8.380 0.116 0.132 0.431 185 S N -4.122 111.648 115.700 0.117 0.000 2.632 185 S HA 0.151 nan 4.470 nan 0.000 0.237 185 S C 0.649 175.283 174.600 0.057 0.000 1.037 185 S CA 0.092 58.383 58.200 0.153 0.000 1.009 185 S CB 2.982 66.350 63.200 0.280 0.000 0.974 185 S HN -0.304 8.085 8.310 0.131 0.000 0.544 186 G N 1.852 110.618 108.800 -0.058 0.000 2.136 186 G HA2 -0.377 nan 3.960 nan 0.000 0.242 186 G HA3 -0.377 nan 3.960 nan 0.000 0.242 186 G C -1.729 172.825 174.900 -0.577 0.000 0.989 186 G CA 0.853 45.789 45.100 -0.273 0.000 0.682 186 G HN 0.041 8.228 8.290 -0.003 0.102 0.522 187 Y N -2.460 117.842 120.300 0.003 0.000 2.499 187 Y HA 0.253 nan 4.550 nan 0.000 0.347 187 Y C -1.743 174.143 175.900 -0.022 0.000 0.987 187 Y CA -1.822 56.271 58.100 -0.012 0.000 1.044 187 Y CB 2.775 41.227 38.460 -0.013 0.000 1.245 187 Y HN -0.865 7.395 8.280 0.064 0.058 0.461 188 E N 1.217 121.490 120.200 0.122 0.000 2.275 188 E HA 0.261 nan 4.350 nan 0.000 0.270 188 E C -1.300 175.319 176.600 0.032 0.000 0.882 188 E CA -1.511 54.912 56.400 0.039 0.000 0.758 188 E CB 3.546 33.254 29.700 0.013 0.000 1.195 188 E HN 0.091 8.830 8.360 0.157 -0.285 0.419 189 G N 3.950 112.737 108.800 -0.022 0.000 2.406 189 G HA2 -0.154 nan 3.960 nan 0.000 0.680 189 G HA3 -0.154 nan 3.960 nan 0.000 0.680 189 G C -3.299 171.590 174.900 -0.018 0.000 1.338 189 G CA -0.591 44.511 45.100 0.004 0.000 0.941 189 G HN -0.198 8.042 8.290 -0.084 0.000 0.633 190 P HA 0.544 nan 4.420 nan 0.000 0.283 190 P C -0.570 176.759 177.300 0.047 0.000 1.278 190 P CA -1.339 61.764 63.100 0.005 0.000 0.834 190 P CB 1.487 33.193 31.700 0.011 0.000 1.150 191 G N -2.784 105.992 108.800 -0.039 0.000 3.233 191 G HA2 0.038 nan 3.960 nan 0.000 0.234 191 G HA3 0.038 nan 3.960 nan 0.000 0.234 191 G C -1.665 173.019 174.900 -0.360 0.000 1.137 191 G CA -0.626 44.444 45.100 -0.049 0.000 0.763 191 G HN 0.524 8.774 8.290 -0.067 0.000 0.549 192 G N -2.802 105.628 108.800 -0.617 0.000 2.349 192 G HA2 -0.049 nan 3.960 nan 0.000 0.294 192 G HA3 -0.049 nan 3.960 nan 0.000 0.294 192 G C -1.692 172.894 174.900 -0.524 0.000 1.380 192 G CA 0.064 44.569 45.100 -0.991 0.000 0.811 192 G HN -0.939 7.081 8.290 -0.343 0.064 0.519 193 A N -1.181 121.462 122.820 -0.295 0.000 1.903 193 A HA 0.033 nan 4.320 nan 0.000 0.213 193 A C 0.708 178.277 177.584 -0.025 0.000 1.185 193 A CA 1.537 53.566 52.037 -0.014 0.000 0.628 193 A CB 0.842 19.893 19.000 0.085 0.000 0.830 193 A HN 0.074 8.218 8.150 -0.366 -0.213 0.446 194 A N -0.746 122.045 122.820 -0.048 0.000 3.004 194 A HA 0.162 nan 4.320 nan 0.000 0.286 194 A C -0.851 176.710 177.584 -0.039 0.000 1.632 194 A CA -0.811 51.213 52.037 -0.022 0.000 1.339 194 A CB -1.769 17.226 19.000 -0.009 0.000 1.136 194 A HN -0.520 7.970 8.150 -0.076 -0.386 0.577 195 N N -0.207 118.474 118.700 -0.031 0.000 2.268 195 N HA -0.054 nan 4.740 nan 0.000 0.204 195 N C -0.730 174.774 175.510 -0.009 0.000 1.124 195 N CA 0.587 53.615 53.050 -0.037 0.000 0.838 195 N CB 0.100 38.560 38.487 -0.046 0.000 0.994 195 N HN -0.298 8.020 8.380 -0.021 0.050 0.489 196 N N -3.139 115.569 118.700 0.013 0.000 2.387 196 N HA 0.084 nan 4.740 nan 0.000 0.259 196 N C -1.792 173.750 175.510 0.053 0.000 1.369 196 N CA -0.752 52.319 53.050 0.034 0.000 0.867 196 N CB -0.595 37.919 38.487 0.045 0.000 1.341 196 N HN -0.021 8.327 8.380 0.016 0.042 0.495 197 V N 0.205 120.149 119.914 0.051 0.000 2.540 197 V HA 0.285 nan 4.120 nan 0.000 0.302 197 V C -1.727 174.430 176.094 0.105 0.000 1.035 197 V CA -0.706 61.648 62.300 0.089 0.000 0.873 197 V CB 1.962 33.834 31.823 0.081 0.000 0.992 197 V HN -0.815 7.390 8.190 0.025 0.000 0.428 198 F N 9.471 129.422 119.950 0.001 0.000 2.487 198 F HA 0.026 nan 4.527 nan 0.000 0.364 198 F C -0.794 175.116 175.800 0.185 0.000 1.126 198 F CA 0.906 58.892 58.000 -0.024 0.000 1.135 198 F CB 0.266 39.138 39.000 -0.213 0.000 1.127 198 F HN 0.692 9.040 8.300 0.261 0.108 0.559 199 T N 3.026 117.581 114.554 0.001 0.000 2.804 199 T HA 0.263 nan 4.350 nan 0.000 0.290 199 T C -0.915 173.878 174.700 0.155 0.000 1.099 199 T CA -2.222 60.001 62.100 0.205 0.000 1.011 199 T CB 2.795 71.716 68.868 0.089 0.000 1.291 199 T HN -0.293 7.803 8.240 -0.240 0.000 0.523 200 N N -2.130 116.679 118.700 0.181 0.000 2.362 200 N HA -0.013 nan 4.740 nan 0.000 0.204 200 N C 0.831 176.335 175.510 -0.011 0.000 1.166 200 N CA -0.121 52.937 53.050 0.013 0.000 0.831 200 N CB -1.540 37.013 38.487 0.110 0.000 1.008 200 N HN 0.300 8.785 8.380 0.175 0.000 0.472 201 E N 1.319 121.489 120.200 -0.051 0.000 2.219 201 E HA -0.387 nan 4.350 nan 0.000 0.198 201 E C 0.918 177.457 176.600 -0.103 0.000 0.998 201 E CA 2.886 59.248 56.400 -0.063 0.000 0.818 201 E CB -0.374 29.278 29.700 -0.080 0.000 0.741 201 E HN -0.633 7.617 8.360 -0.035 0.088 0.477 202 F N -0.041 119.669 119.950 -0.400 0.000 2.126 202 F HA -0.408 nan 4.527 nan 0.000 0.299 202 F C 1.424 176.957 175.800 -0.445 0.000 1.096 202 F CA 3.456 61.163 58.000 -0.488 0.000 1.255 202 F CB -0.038 38.521 39.000 -0.735 0.000 0.997 202 F HN -0.125 8.074 8.300 -0.168 0.000 0.479 203 Y N -3.000 117.257 120.300 -0.072 0.000 2.220 203 Y HA -0.361 nan 4.550 nan 0.000 0.291 203 Y C 2.214 178.042 175.900 -0.120 0.000 1.129 203 Y CA 3.667 61.687 58.100 -0.132 0.000 1.161 203 Y CB -0.563 37.859 38.460 -0.064 0.000 0.997 203 Y HN -0.667 7.365 8.280 -0.390 0.013 0.522 204 L N -1.147 120.113 121.223 0.062 0.000 2.046 204 L HA -0.552 nan 4.340 nan 0.000 0.208 204 L C 2.124 179.012 176.870 0.030 0.000 1.077 204 L CA 3.166 58.029 54.840 0.037 0.000 0.747 204 L CB -0.609 41.469 42.059 0.031 0.000 0.896 204 L HN -0.599 7.679 8.230 0.080 0.000 0.432 205 N N -0.829 117.881 118.700 0.018 0.000 2.188 205 N HA -0.243 nan 4.740 nan 0.000 0.184 205 N C 2.439 178.141 175.510 0.320 0.000 1.018 205 N CA 2.833 55.967 53.050 0.141 0.000 0.858 205 N CB -0.553 38.023 38.487 0.149 0.000 0.989 205 N HN -0.075 8.284 8.380 -0.036 0.000 0.426 206 L N 0.254 121.511 121.223 0.056 0.000 2.012 206 L HA -0.267 nan 4.340 nan 0.000 0.210 206 L C 2.318 179.274 176.870 0.143 0.000 1.073 206 L CA 3.276 58.113 54.840 -0.006 0.000 0.748 206 L CB -0.252 41.548 42.059 -0.431 0.000 0.891 206 L HN -0.266 7.859 8.230 -0.174 0.000 0.431 207 L N -2.472 118.780 121.223 0.048 0.000 2.179 207 L HA -0.302 nan 4.340 nan 0.000 0.208 207 L C 1.437 178.339 176.870 0.054 0.000 1.096 207 L CA 2.527 57.389 54.840 0.037 0.000 0.779 207 L CB -0.156 41.907 42.059 0.007 0.000 0.922 207 L HN -0.276 7.960 8.230 0.008 0.000 0.443 208 N N -4.216 114.517 118.700 0.055 0.000 2.282 208 N HA 0.027 nan 4.740 nan 0.000 0.185 208 N C -0.142 175.327 175.510 -0.067 0.000 1.099 208 N CA 0.524 53.576 53.050 0.003 0.000 0.878 208 N CB 1.193 39.682 38.487 0.004 0.000 0.993 208 N HN -0.123 8.303 8.380 0.076 0.000 0.481 209 E N -0.143 119.974 120.200 -0.138 0.000 2.314 209 E HA 0.049 nan 4.350 nan 0.000 0.262 209 E C -0.902 175.355 176.600 -0.572 0.000 1.093 209 E CA -0.556 55.560 56.400 -0.472 0.000 0.908 209 E CB 1.153 30.273 29.700 -0.966 0.000 1.091 209 E HN -0.593 7.777 8.360 0.017 0.000 0.425 210 D N 2.192 122.268 120.400 -0.540 0.000 2.441 210 D HA 0.071 nan 4.640 nan 0.000 0.221 210 D C -1.094 175.004 176.300 -0.337 0.000 1.156 210 D CA -1.266 52.548 54.000 -0.309 0.000 0.896 210 D CB -0.428 40.261 40.800 -0.185 0.000 1.028 210 D HN 0.156 8.220 8.370 -0.510 0.000 0.509 211 W N 2.094 123.475 121.300 0.136 0.000 2.315 211 W HA 0.131 nan 4.660 nan 0.000 0.316 211 W C -0.309 176.375 176.519 0.276 0.000 1.211 211 W CA -1.040 56.434 57.345 0.215 0.000 1.201 211 W CB 1.264 30.881 29.460 0.262 0.000 1.184 211 W HN -0.452 7.753 8.180 0.042 0.000 0.544 212 K N 2.333 123.013 120.400 0.468 0.000 2.413 212 K HA 0.289 nan 4.320 nan 0.000 0.257 212 K C -1.314 175.307 176.600 0.036 0.000 0.946 212 K CA -1.367 55.066 56.287 0.243 0.000 0.823 212 K CB 3.028 35.589 32.500 0.102 0.000 1.109 212 K HN 0.709 9.149 8.250 0.499 0.110 0.427 213 L N 6.474 127.493 121.223 -0.340 0.000 2.485 213 L HA 0.063 nan 4.340 nan 0.000 0.279 213 L C -0.697 175.929 176.870 -0.406 0.000 1.124 213 L CA 0.638 54.964 54.840 -0.857 0.000 0.888 213 L CB 0.097 41.439 42.059 -1.195 0.000 1.217 213 L HN 0.423 8.548 8.230 -0.176 0.000 0.464 214 E N 7.126 127.146 120.200 -0.300 0.000 2.355 214 E HA 0.393 nan 4.350 nan 0.000 0.261 214 E C -2.123 174.386 176.600 -0.153 0.000 0.943 214 E CA -2.005 54.292 56.400 -0.172 0.000 0.806 214 E CB 3.632 33.278 29.700 -0.090 0.000 1.286 214 E HN 0.575 8.742 8.360 -0.321 0.000 0.424 215 K N 0.265 120.600 120.400 -0.108 0.000 2.206 215 K HA 0.332 nan 4.320 nan 0.000 0.264 215 K C -0.956 175.600 176.600 -0.073 0.000 0.967 215 K CA -1.028 55.203 56.287 -0.094 0.000 0.844 215 K CB 1.409 33.858 32.500 -0.085 0.000 1.099 215 K HN 0.037 8.231 8.250 -0.093 0.000 0.441 216 N N 6.643 125.298 118.700 -0.075 0.000 2.413 216 N HA 0.131 nan 4.740 nan 0.000 0.266 216 N C 0.708 176.175 175.510 -0.072 0.000 1.238 216 N CA -0.885 52.126 53.050 -0.064 0.000 0.972 216 N CB 0.826 39.275 38.487 -0.063 0.000 1.210 216 N HN 0.491 8.818 8.380 -0.088 0.000 0.547 217 D N -1.369 118.996 120.400 -0.059 0.000 2.309 217 D HA -0.224 nan 4.640 nan 0.000 0.212 217 D C 0.019 176.279 176.300 -0.067 0.000 0.968 217 D CA 3.029 56.997 54.000 -0.054 0.000 0.882 217 D CB -0.568 40.208 40.800 -0.039 0.000 0.918 217 D HN 0.560 8.900 8.370 -0.049 0.000 0.503 218 A N -2.443 120.319 122.820 -0.096 0.000 2.307 218 A HA -0.012 nan 4.320 nan 0.000 0.218 218 A C -0.223 177.287 177.584 -0.123 0.000 1.228 218 A CA -0.260 51.708 52.037 -0.114 0.000 0.857 218 A CB 0.374 19.276 19.000 -0.162 0.000 0.897 218 A HN -0.499 7.732 8.150 -0.110 -0.146 0.495 219 N N -4.147 114.487 118.700 -0.109 0.000 2.776 219 N HA -0.454 nan 4.740 nan 0.000 0.250 219 N C -1.630 173.811 175.510 -0.116 0.000 1.112 219 N CA 1.407 54.399 53.050 -0.097 0.000 0.733 219 N CB -0.989 37.454 38.487 -0.074 0.000 1.097 219 N HN 0.239 8.387 8.380 -0.100 0.172 0.558 220 N N -0.770 117.830 118.700 -0.166 0.000 2.443 220 N HA 0.202 nan 4.740 nan 0.000 0.295 220 N C -1.459 173.987 175.510 -0.107 0.000 1.076 220 N CA -0.415 52.528 53.050 -0.179 0.000 0.919 220 N CB 2.271 40.501 38.487 -0.429 0.000 1.176 220 N HN -0.345 8.184 8.380 -0.187 -0.261 0.487 221 E N 1.215 121.382 120.200 -0.055 0.000 2.313 221 E HA 0.206 nan 4.350 nan 0.000 0.276 221 E C -1.214 175.380 176.600 -0.010 0.000 1.031 221 E CA 0.685 57.032 56.400 -0.089 0.000 0.857 221 E CB 0.911 30.515 29.700 -0.159 0.000 1.040 221 E HN 0.278 8.615 8.360 -0.038 0.000 0.408 222 Q N 0.216 119.949 119.800 -0.111 0.000 2.462 222 Q HA 0.571 nan 4.340 nan 0.000 0.285 222 Q C -1.462 174.393 176.000 -0.242 0.000 1.035 222 Q CA -2.390 53.372 55.803 -0.068 0.000 0.799 222 Q CB 3.488 32.318 28.738 0.153 0.000 1.452 222 Q HN 0.448 8.612 8.270 -0.176 0.000 0.404 223 W N 0.319 121.580 121.300 -0.065 0.000 2.358 223 W HA 0.047 nan 4.660 nan 0.000 0.307 223 W C -0.697 175.943 176.519 0.201 0.000 1.203 223 W CA 0.174 57.491 57.345 -0.046 0.000 1.279 223 W CB 0.459 29.731 29.460 -0.313 0.000 1.264 223 W HN 0.464 8.755 8.180 0.185 0.000 0.474 224 D N 5.423 126.076 120.400 0.422 0.000 2.248 224 D HA 0.752 nan 4.640 nan 0.000 0.246 224 D C -0.968 175.527 176.300 0.324 0.000 1.027 224 D CA -1.072 53.153 54.000 0.375 0.000 0.853 224 D CB 3.380 44.271 40.800 0.153 0.000 1.243 224 D HN 0.691 9.119 8.370 0.273 0.105 0.462 225 S N 1.075 116.855 115.700 0.134 0.000 2.607 225 S HA 0.620 nan 4.470 nan 0.000 0.303 225 S C 1.112 175.592 174.600 -0.200 0.000 1.086 225 S CA -1.661 56.411 58.200 -0.213 0.000 0.995 225 S CB 3.198 65.999 63.200 -0.664 0.000 1.084 225 S HN 0.377 8.818 8.310 0.218 0.000 0.507 226 K N 3.731 123.993 120.400 -0.230 0.000 2.160 226 K HA -0.260 nan 4.320 nan 0.000 0.206 226 K C 1.272 177.719 176.600 -0.255 0.000 1.047 226 K CA 2.752 58.922 56.287 -0.196 0.000 0.930 226 K CB -0.562 31.834 32.500 -0.173 0.000 0.720 226 K HN 0.749 8.852 8.250 -0.245 0.000 0.450 227 S N -2.397 113.059 115.700 -0.407 0.000 2.547 227 S HA -0.068 nan 4.470 nan 0.000 0.235 227 S C 0.573 174.805 174.600 -0.613 0.000 0.980 227 S CA 0.632 58.483 58.200 -0.582 0.000 0.941 227 S CB 0.311 62.920 63.200 -0.984 0.000 0.763 227 S HN -0.412 7.603 8.310 -0.441 0.030 0.532 228 G N -1.649 106.921 108.800 -0.383 0.000 2.141 228 G HA2 -0.368 nan 3.960 nan 0.000 0.231 228 G HA3 -0.368 nan 3.960 nan 0.000 0.231 228 G C -0.835 174.087 174.900 0.036 0.000 0.984 228 G CA 0.059 45.062 45.100 -0.162 0.000 0.660 228 G HN -0.315 7.614 8.290 -0.301 0.180 0.525 229 Y N -1.249 119.092 120.300 0.068 0.000 2.432 229 Y HA 0.308 nan 4.550 nan 0.000 0.322 229 Y C -1.400 174.689 175.900 0.316 0.000 1.246 229 Y CA -3.052 55.151 58.100 0.172 0.000 1.268 229 Y CB 1.238 39.837 38.460 0.233 0.000 1.276 229 Y HN -0.870 7.180 8.280 -0.302 0.048 0.499 230 M N -2.804 117.084 119.600 0.481 0.000 2.550 230 M HA 0.818 nan 4.480 nan 0.000 0.292 230 M C -1.553 174.830 176.300 0.138 0.000 1.221 230 M CA -1.002 54.511 55.300 0.354 0.000 0.873 230 M CB 4.191 36.910 32.600 0.197 0.000 1.727 230 M HN 0.310 8.835 8.290 0.391 0.000 0.459 231 M N -0.458 119.130 119.600 -0.020 0.000 2.457 231 M HA 0.418 nan 4.480 nan 0.000 0.300 231 M C -1.504 174.784 176.300 -0.021 0.000 1.141 231 M CA -1.618 53.574 55.300 -0.179 0.000 0.901 231 M CB 4.674 36.928 32.600 -0.577 0.000 1.687 231 M HN 0.834 9.079 8.290 0.104 0.107 0.449 232 L N 1.740 122.919 121.223 -0.072 0.000 2.464 232 L HA 0.170 nan 4.340 nan 0.000 0.264 232 L C -0.966 175.948 176.870 0.072 0.000 1.199 232 L CA -1.340 53.422 54.840 -0.130 0.000 0.818 232 L CB -1.059 40.838 42.059 -0.270 0.000 1.102 232 L HN 0.051 8.509 8.230 -0.091 -0.283 0.473 233 P HA -0.261 nan 4.420 nan 0.000 0.215 233 P C 1.180 178.592 177.300 0.187 0.000 1.157 233 P CA 3.144 66.394 63.100 0.251 0.000 0.874 233 P CB 0.083 31.885 31.700 0.171 0.000 0.790 234 T N -6.440 108.180 114.554 0.111 0.000 2.881 234 T HA -0.281 nan 4.350 nan 0.000 0.270 234 T C 1.546 176.323 174.700 0.129 0.000 1.068 234 T CA 3.469 65.654 62.100 0.142 0.000 1.131 234 T CB -0.861 68.100 68.868 0.154 0.000 0.871 234 T HN -0.039 8.232 8.240 0.051 0.000 0.479 235 D N 1.663 122.130 120.400 0.111 0.000 2.123 235 D HA -0.162 nan 4.640 nan 0.000 0.200 235 D C 1.908 178.176 176.300 -0.053 0.000 0.976 235 D CA 2.809 56.878 54.000 0.114 0.000 0.831 235 D CB -0.284 40.587 40.800 0.118 0.000 0.974 235 D HN -0.528 7.753 8.370 0.084 0.140 0.469 236 Y N 1.579 121.718 120.300 -0.269 0.000 2.352 236 Y HA -0.371 nan 4.550 nan 0.000 0.292 236 Y C 1.793 177.516 175.900 -0.293 0.000 1.136 236 Y CA 3.015 60.819 58.100 -0.494 0.000 1.227 236 Y CB 0.204 38.136 38.460 -0.881 0.000 0.991 236 Y HN -0.149 8.165 8.280 0.056 0.000 0.545 237 S N 0.530 116.230 115.700 0.000 0.000 2.413 237 S HA -0.437 nan 4.470 nan 0.000 0.237 237 S C 1.277 175.896 174.600 0.032 0.000 1.044 237 S CA 4.444 62.678 58.200 0.057 0.000 1.024 237 S CB -0.507 62.793 63.200 0.166 0.000 0.829 237 S HN -0.098 8.264 8.310 0.102 0.009 0.475 238 L N -2.938 118.253 121.223 -0.053 0.000 2.275 238 L HA -0.220 nan 4.340 nan 0.000 0.215 238 L C 0.619 177.451 176.870 -0.063 0.000 1.119 238 L CA 2.234 57.057 54.840 -0.028 0.000 0.790 238 L CB -0.026 41.978 42.059 -0.091 0.000 0.919 238 L HN -0.759 7.383 8.230 -0.092 0.033 0.443 239 I N -8.532 111.879 120.570 -0.266 0.000 3.860 239 I HA 0.001 nan 4.170 nan 0.000 0.319 239 I C 1.161 177.135 176.117 -0.239 0.000 1.279 239 I CA 1.005 62.138 61.300 -0.278 0.000 1.220 239 I CB 0.303 38.042 38.000 -0.435 0.000 1.027 239 I HN -0.445 7.503 8.210 -0.415 0.013 0.428 240 Q N -0.051 119.624 119.800 -0.208 0.000 2.245 240 Q HA -0.146 nan 4.340 nan 0.000 0.201 240 Q C 0.192 176.182 176.000 -0.017 0.000 0.955 240 Q CA 1.593 57.341 55.803 -0.092 0.000 0.870 240 Q CB 0.401 29.124 28.738 -0.024 0.000 0.945 240 Q HN -0.526 7.453 8.270 -0.236 0.150 0.461 241 D N -0.499 119.915 120.400 0.024 0.000 2.198 241 D HA 0.357 nan 4.640 nan 0.000 0.245 241 D C -1.097 175.192 176.300 -0.019 0.000 1.079 241 D CA -3.078 50.923 54.000 0.002 0.000 0.854 241 D CB 2.511 43.309 40.800 -0.002 0.000 1.148 241 D HN -0.692 7.711 8.370 0.054 0.000 0.456 242 P HA -0.136 nan 4.420 nan 0.000 0.217 242 P C 1.480 178.753 177.300 -0.044 0.000 1.150 242 P CA 2.169 65.245 63.100 -0.039 0.000 0.832 242 P CB 0.575 32.251 31.700 -0.039 0.000 0.787 243 K N -0.782 119.568 120.400 -0.084 0.000 2.002 243 K HA -0.271 nan 4.320 nan 0.000 0.209 243 K C 2.928 179.536 176.600 0.014 0.000 1.048 243 K CA 3.130 59.370 56.287 -0.078 0.000 0.930 243 K CB -0.361 32.044 32.500 -0.159 0.000 0.714 243 K HN -0.644 7.618 8.250 -0.121 -0.085 0.438 244 Y N -1.444 118.836 120.300 -0.034 0.000 2.128 244 Y HA -0.308 nan 4.550 nan 0.000 0.284 244 Y C 2.309 178.171 175.900 -0.063 0.000 1.154 244 Y CA 1.059 59.137 58.100 -0.037 0.000 1.149 244 Y CB -0.585 37.867 38.460 -0.013 0.000 0.976 244 Y HN -0.525 7.969 8.280 -0.141 -0.298 0.505 245 L N -1.057 120.226 121.223 0.100 0.000 2.042 245 L HA -0.453 nan 4.340 nan 0.000 0.210 245 L C 1.509 178.359 176.870 -0.033 0.000 1.076 245 L CA 3.306 58.148 54.840 0.003 0.000 0.749 245 L CB -0.399 41.643 42.059 -0.029 0.000 0.893 245 L HN 0.236 8.531 8.230 0.109 0.000 0.432 246 S N -1.321 114.357 115.700 -0.038 0.000 2.453 246 S HA -0.257 nan 4.470 nan 0.000 0.231 246 S C 2.195 176.717 174.600 -0.131 0.000 1.005 246 S CA 3.155 61.313 58.200 -0.071 0.000 0.949 246 S CB -0.677 62.487 63.200 -0.060 0.000 0.774 246 S HN -0.356 7.940 8.310 -0.022 0.000 0.510 247 I N 1.761 122.241 120.570 -0.150 0.000 2.406 247 I HA -0.335 nan 4.170 nan 0.000 0.249 247 I C 1.142 176.971 176.117 -0.479 0.000 1.122 247 I CA 3.468 64.562 61.300 -0.344 0.000 1.431 247 I CB -0.148 37.688 38.000 -0.273 0.000 1.087 247 I HN -0.693 7.386 8.210 -0.069 0.090 0.424 248 V N 1.318 121.093 119.914 -0.232 0.000 2.282 248 V HA -0.617 nan 4.120 nan 0.000 0.249 248 V C 1.940 177.939 176.094 -0.158 0.000 1.057 248 V CA 5.229 67.454 62.300 -0.126 0.000 1.032 248 V CB -1.222 30.624 31.823 0.038 0.000 0.645 248 V HN 0.084 8.204 8.190 -0.117 0.000 0.447 249 K N -2.191 118.132 120.400 -0.128 0.000 2.097 249 K HA -0.417 nan 4.320 nan 0.000 0.206 249 K C 2.022 178.548 176.600 -0.123 0.000 1.049 249 K CA 3.709 59.938 56.287 -0.097 0.000 0.933 249 K CB -0.418 32.038 32.500 -0.074 0.000 0.717 249 K HN -0.182 8.000 8.250 -0.113 0.000 0.442 250 E N -0.095 119.980 120.200 -0.208 0.000 2.077 250 E HA -0.315 nan 4.350 nan 0.000 0.193 250 E C 2.608 179.148 176.600 -0.100 0.000 0.989 250 E CA 3.039 59.324 56.400 -0.191 0.000 0.800 250 E CB -0.008 29.509 29.700 -0.304 0.000 0.746 250 E HN -0.675 7.454 8.360 -0.252 0.080 0.452 251 Y N -2.976 117.161 120.300 -0.270 0.000 2.395 251 Y HA -0.147 nan 4.550 nan 0.000 0.293 251 Y C 2.130 177.861 175.900 -0.281 0.000 1.123 251 Y CA 0.067 57.931 58.100 -0.394 0.000 1.227 251 Y CB -0.493 37.341 38.460 -1.043 0.000 1.012 251 Y HN -0.178 7.771 8.280 -0.551 0.000 0.552 252 A N -1.011 121.784 122.820 -0.042 0.000 2.014 252 A HA -0.100 nan 4.320 nan 0.000 0.218 252 A C 1.015 178.615 177.584 0.026 0.000 1.163 252 A CA 1.999 54.062 52.037 0.044 0.000 0.652 252 A CB -0.093 18.940 19.000 0.055 0.000 0.808 252 A HN 0.014 8.100 8.150 -0.107 0.000 0.449 253 N N -3.619 115.087 118.700 0.010 0.000 2.336 253 N HA -0.039 nan 4.740 nan 0.000 0.189 253 N C -0.750 174.776 175.510 0.026 0.000 1.113 253 N CA 0.738 53.795 53.050 0.012 0.000 0.858 253 N CB 1.137 39.622 38.487 -0.003 0.000 0.970 253 N HN -0.450 7.911 8.380 -0.010 0.013 0.471 254 D N -0.136 120.297 120.400 0.054 0.000 2.337 254 D HA 0.226 nan 4.640 nan 0.000 0.238 254 D C -0.438 175.915 176.300 0.088 0.000 1.331 254 D CA -0.388 53.650 54.000 0.063 0.000 0.967 254 D CB 0.721 41.569 40.800 0.081 0.000 1.382 254 D HN -0.727 7.523 8.370 0.067 0.160 0.549 255 Q N 3.707 123.523 119.800 0.027 0.000 2.170 255 Q HA -0.385 nan 4.340 nan 0.000 0.203 255 Q C 1.243 177.179 176.000 -0.106 0.000 0.976 255 Q CA 3.160 58.956 55.803 -0.013 0.000 0.858 255 Q CB -0.049 28.602 28.738 -0.145 0.000 0.907 255 Q HN 0.281 8.552 8.270 0.002 0.000 0.433 256 D N 0.631 120.974 120.400 -0.094 0.000 2.117 256 D HA -0.276 nan 4.640 nan 0.000 0.197 256 D C 1.881 178.222 176.300 0.068 0.000 0.987 256 D CA 3.237 57.211 54.000 -0.043 0.000 0.829 256 D CB -0.082 40.704 40.800 -0.023 0.000 0.961 256 D HN 0.049 8.374 8.370 -0.076 0.000 0.460 257 K N -0.099 120.361 120.400 0.100 0.000 2.026 257 K HA -0.270 nan 4.320 nan 0.000 0.208 257 K C 1.911 178.582 176.600 0.118 0.000 1.048 257 K CA 2.339 58.713 56.287 0.146 0.000 0.929 257 K CB -0.472 32.155 32.500 0.212 0.000 0.713 257 K HN -0.772 7.803 8.250 0.087 -0.272 0.439 258 F N 1.098 120.984 119.950 -0.108 0.000 2.043 258 F HA -0.431 nan 4.527 nan 0.000 0.297 258 F C 1.769 177.611 175.800 0.070 0.000 1.121 258 F CA 2.658 60.419 58.000 -0.398 0.000 1.199 258 F CB -0.347 38.528 39.000 -0.208 0.000 0.968 258 F HN -0.537 7.901 8.300 0.229 0.000 0.478 259 F N -1.967 117.771 119.950 -0.352 0.000 2.091 259 F HA -0.516 nan 4.527 nan 0.000 0.299 259 F C 2.329 178.023 175.800 -0.178 0.000 1.103 259 F CA 2.884 60.689 58.000 -0.325 0.000 1.228 259 F CB -0.848 38.082 39.000 -0.116 0.000 0.984 259 F HN 0.110 8.608 8.300 0.329 0.000 0.477 260 K N -0.974 119.481 120.400 0.092 0.000 2.057 260 K HA -0.403 nan 4.320 nan 0.000 0.207 260 K C 2.426 179.037 176.600 0.019 0.000 1.049 260 K CA 3.732 60.049 56.287 0.050 0.000 0.931 260 K CB -0.263 32.276 32.500 0.065 0.000 0.714 260 K HN -0.190 8.141 8.250 0.135 0.000 0.440 261 D N -0.596 119.812 120.400 0.015 0.000 2.183 261 D HA -0.145 nan 4.640 nan 0.000 0.203 261 D C 2.135 178.434 176.300 -0.001 0.000 0.969 261 D CA 2.845 56.864 54.000 0.030 0.000 0.842 261 D CB -0.404 40.461 40.800 0.107 0.000 0.957 261 D HN -0.162 8.214 8.370 0.011 0.000 0.484 262 F N 1.326 121.144 119.950 -0.220 0.000 2.102 262 F HA -0.367 nan 4.527 nan 0.000 0.298 262 F C 1.260 176.989 175.800 -0.118 0.000 1.105 262 F CA 3.501 61.372 58.000 -0.216 0.000 1.239 262 F CB 0.504 39.220 39.000 -0.473 0.000 0.991 262 F HN 0.219 8.463 8.300 -0.092 0.000 0.474 263 S N -0.591 115.093 115.700 -0.027 0.000 2.359 263 S HA -0.517 nan 4.470 nan 0.000 0.223 263 S C 2.200 176.763 174.600 -0.062 0.000 1.039 263 S CA 3.984 62.163 58.200 -0.034 0.000 1.042 263 S CB -0.292 62.897 63.200 -0.019 0.000 0.915 263 S HN -0.209 8.114 8.310 0.021 0.000 0.439 264 K N 0.502 120.869 120.400 -0.056 0.000 2.057 264 K HA -0.316 nan 4.320 nan 0.000 0.207 264 K C 2.297 178.853 176.600 -0.072 0.000 1.049 264 K CA 3.070 59.326 56.287 -0.052 0.000 0.931 264 K CB -0.020 32.464 32.500 -0.027 0.000 0.714 264 K HN -0.696 7.531 8.250 -0.038 0.000 0.440 265 A N -1.033 121.723 122.820 -0.106 0.000 2.016 265 A HA -0.080 nan 4.320 nan 0.000 0.217 265 A C 2.132 179.650 177.584 -0.111 0.000 1.162 265 A CA 2.664 54.640 52.037 -0.102 0.000 0.662 265 A CB -0.675 18.262 19.000 -0.104 0.000 0.812 265 A HN -0.281 7.800 8.150 -0.116 0.000 0.450 266 F N 0.065 119.743 119.950 -0.455 0.000 2.163 266 F HA -0.272 nan 4.527 nan 0.000 0.297 266 F C 1.295 177.002 175.800 -0.156 0.000 1.094 266 F CA 2.073 59.831 58.000 -0.403 0.000 1.290 266 F CB 0.480 39.078 39.000 -0.670 0.000 1.017 266 F HN 0.458 8.569 8.300 -0.314 0.000 0.483 267 E N -0.033 120.114 120.200 -0.090 0.000 2.051 267 E HA -0.506 nan 4.350 nan 0.000 0.192 267 E C 1.865 178.386 176.600 -0.131 0.000 0.991 267 E CA 3.469 59.798 56.400 -0.118 0.000 0.799 267 E CB -0.169 29.483 29.700 -0.080 0.000 0.748 267 E HN -0.272 8.065 8.360 -0.039 0.000 0.449 268 K N -0.809 119.532 120.400 -0.099 0.000 2.063 268 K HA -0.335 nan 4.320 nan 0.000 0.208 268 K C 2.355 178.896 176.600 -0.098 0.000 1.048 268 K CA 3.062 59.297 56.287 -0.087 0.000 0.928 268 K CB -0.078 32.392 32.500 -0.049 0.000 0.713 268 K HN -0.545 7.654 8.250 -0.085 0.000 0.442 269 L N -1.125 120.058 121.223 -0.066 0.000 2.013 269 L HA -0.327 nan 4.340 nan 0.000 0.212 269 L C 1.701 178.517 176.870 -0.089 0.000 1.073 269 L CA 2.929 57.761 54.840 -0.013 0.000 0.753 269 L CB -0.129 41.978 42.059 0.080 0.000 0.890 269 L HN -0.322 7.765 8.230 -0.057 0.108 0.432 270 L N -4.933 116.184 121.223 -0.177 0.000 2.291 270 L HA -0.276 nan 4.340 nan 0.000 0.214 270 L C 2.244 179.050 176.870 -0.106 0.000 1.120 270 L CA 2.191 56.938 54.840 -0.155 0.000 0.799 270 L CB -0.043 41.891 42.059 -0.208 0.000 0.925 270 L HN -0.395 7.618 8.230 -0.234 0.077 0.446 271 E N -1.727 118.401 120.200 -0.120 0.000 2.452 271 E HA -0.069 nan 4.350 nan 0.000 0.197 271 E C 0.032 176.508 176.600 -0.207 0.000 1.022 271 E CA 0.269 56.631 56.400 -0.063 0.000 0.890 271 E CB 0.512 30.222 29.700 0.017 0.000 0.918 271 E HN -0.282 7.862 8.360 -0.137 0.134 0.496 272 D N 0.743 120.895 120.400 -0.413 0.000 2.533 272 D HA -0.234 nan 4.640 nan 0.000 0.236 272 D C 0.414 176.079 176.300 -1.058 0.000 1.137 272 D CA 2.393 55.831 54.000 -0.938 0.000 0.867 272 D CB -0.024 39.961 40.800 -1.358 0.000 1.170 272 D HN -0.616 7.560 8.370 -0.324 0.000 0.474 273 G N 1.358 109.668 108.800 -0.818 0.000 2.241 273 G HA2 -0.362 nan 3.960 nan 0.000 0.244 273 G HA3 -0.362 nan 3.960 nan 0.000 0.244 273 G C -0.644 174.165 174.900 -0.151 0.000 0.998 273 G CA 0.343 45.291 45.100 -0.253 0.000 0.621 273 G HN 0.240 8.112 8.290 -0.697 0.000 0.519 274 I N 2.141 122.553 120.570 -0.263 0.000 2.342 274 I HA -0.000 nan 4.170 nan 0.000 0.291 274 I C -0.639 175.203 176.117 -0.459 0.000 1.010 274 I CA -0.318 60.740 61.300 -0.404 0.000 1.308 274 I CB 0.212 37.889 38.000 -0.538 0.000 1.400 274 I HN -0.519 7.438 8.210 -0.291 0.079 0.488 275 T N 9.246 123.550 114.554 -0.417 0.000 2.728 275 T HA 0.298 nan 4.350 nan 0.000 0.296 275 T C -1.226 173.244 174.700 -0.383 0.000 0.940 275 T CA -0.236 61.698 62.100 -0.276 0.000 1.013 275 T CB 0.192 68.964 68.868 -0.160 0.000 0.912 275 T HN 0.867 8.881 8.240 -0.376 0.000 0.484 276 F N 7.010 126.923 119.950 -0.062 0.000 2.361 276 F HA 0.278 nan 4.527 nan 0.000 0.364 276 F C -1.414 174.354 175.800 -0.054 0.000 1.120 276 F CA -3.210 54.749 58.000 -0.068 0.000 1.102 276 F CB -0.023 38.911 39.000 -0.110 0.000 1.183 276 F HN 0.186 8.548 8.300 0.104 0.000 0.476 277 P HA -0.023 nan 4.420 nan 0.000 0.266 277 P C 0.435 177.762 177.300 0.045 0.000 1.193 277 P CA -0.544 62.586 63.100 0.050 0.000 0.770 277 P CB 0.772 32.494 31.700 0.037 0.000 0.836 278 K N 2.121 122.534 120.400 0.022 0.000 2.442 278 K HA -0.143 nan 4.320 nan 0.000 0.198 278 K C 0.150 176.750 176.600 -0.000 0.000 1.042 278 K CA 1.995 58.286 56.287 0.007 0.000 0.958 278 K CB -0.294 32.206 32.500 -0.001 0.000 0.766 278 K HN 0.448 8.709 8.250 0.018 0.000 0.474 279 D N -3.096 117.309 120.400 0.009 0.000 2.340 279 D HA -0.069 nan 4.640 nan 0.000 0.220 279 D C -0.611 175.696 176.300 0.012 0.000 1.039 279 D CA -0.455 53.550 54.000 0.008 0.000 0.866 279 D CB -0.554 40.255 40.800 0.015 0.000 0.913 279 D HN -0.351 7.991 8.370 0.015 0.037 0.523 280 A N 1.885 124.713 122.820 0.014 0.000 2.445 280 A HA 0.039 nan 4.320 nan 0.000 0.242 280 A C -1.564 175.992 177.584 -0.047 0.000 1.075 280 A CA -1.335 50.709 52.037 0.011 0.000 0.777 280 A CB -0.374 18.660 19.000 0.057 0.000 1.013 280 A HN -0.431 7.548 8.150 0.018 0.182 0.493 281 P HA 0.009 nan 4.420 nan 0.000 0.269 281 P C -0.466 176.672 177.300 -0.271 0.000 1.215 281 P CA -0.404 62.626 63.100 -0.117 0.000 0.780 281 P CB 0.700 32.376 31.700 -0.039 0.000 0.898 282 S N 0.214 115.771 115.700 -0.239 0.000 2.563 282 S HA -0.017 nan 4.470 nan 0.000 0.269 282 S C -1.274 173.016 174.600 -0.517 0.000 1.364 282 S CA -0.355 57.661 58.200 -0.307 0.000 1.010 282 S CB -0.150 62.931 63.200 -0.198 0.000 0.877 282 S HN 0.016 8.238 8.310 -0.145 0.000 0.549 283 P HA -0.015 nan 4.420 nan 0.000 0.265 283 P C -1.432 175.630 177.300 -0.397 0.000 1.193 283 P CA -0.030 62.755 63.100 -0.525 0.000 0.765 283 P CB 0.392 31.870 31.700 -0.370 0.000 0.823 284 F N 3.624 123.453 119.950 -0.202 0.000 2.399 284 F HA 0.059 nan 4.527 nan 0.000 0.342 284 F C -0.191 175.351 175.800 -0.431 0.000 1.106 284 F CA -0.974 56.839 58.000 -0.313 0.000 1.196 284 F CB 0.890 39.650 39.000 -0.401 0.000 1.163 284 F HN 0.494 8.409 8.300 -0.643 0.000 0.547 285 I N 3.067 123.513 120.570 -0.206 0.000 2.330 285 I HA 0.163 nan 4.170 nan 0.000 0.286 285 I C -1.182 174.793 176.117 -0.237 0.000 1.025 285 I CA -1.610 59.573 61.300 -0.194 0.000 1.197 285 I CB -0.305 37.631 38.000 -0.106 0.000 1.358 285 I HN 0.441 8.561 8.210 -0.150 0.000 0.467 286 F N 6.235 126.206 119.950 0.036 0.000 2.412 286 F HA 0.087 nan 4.527 nan 0.000 0.348 286 F C -0.207 175.410 175.800 -0.305 0.000 1.102 286 F CA -1.030 56.852 58.000 -0.197 0.000 1.196 286 F CB 0.397 38.988 39.000 -0.682 0.000 1.144 286 F HN 0.408 8.567 8.300 -0.235 0.000 0.541 287 K N 3.851 124.221 120.400 -0.051 0.000 2.295 287 K HA 0.096 nan 4.320 nan 0.000 0.270 287 K C 0.006 176.522 176.600 -0.139 0.000 1.011 287 K CA 0.409 56.660 56.287 -0.060 0.000 0.953 287 K CB 0.439 32.950 32.500 0.019 0.000 0.956 287 K HN 0.298 8.598 8.250 0.084 0.000 0.477 288 T N -2.911 111.654 114.554 0.018 0.000 2.828 288 T HA 0.219 nan 4.350 nan 0.000 0.290 288 T C 1.448 176.240 174.700 0.155 0.000 1.019 288 T CA -1.275 60.920 62.100 0.159 0.000 1.031 288 T CB 1.593 70.550 68.868 0.149 0.000 1.001 288 T HN -0.070 8.505 8.240 0.032 -0.316 0.531 289 L N 1.104 122.444 121.223 0.195 0.000 2.043 289 L HA -0.444 nan 4.340 nan 0.000 0.212 289 L C 1.939 178.862 176.870 0.087 0.000 1.075 289 L CA 3.862 58.776 54.840 0.125 0.000 0.752 289 L CB -0.542 41.580 42.059 0.105 0.000 0.891 289 L HN -0.088 8.508 8.230 0.268 -0.205 0.432 290 E N -0.676 119.576 120.200 0.086 0.000 2.051 290 E HA -0.369 nan 4.350 nan 0.000 0.192 290 E C 2.780 179.416 176.600 0.059 0.000 0.991 290 E CA 3.094 59.535 56.400 0.068 0.000 0.799 290 E CB -0.478 29.264 29.700 0.069 0.000 0.748 290 E HN 0.159 8.572 8.360 0.101 0.008 0.449 291 E N -1.555 118.682 120.200 0.061 0.000 2.268 291 E HA -0.232 nan 4.350 nan 0.000 0.195 291 E C 2.050 178.678 176.600 0.046 0.000 0.995 291 E CA 2.073 58.502 56.400 0.049 0.000 0.836 291 E CB -0.167 29.560 29.700 0.044 0.000 0.763 291 E HN -0.393 7.930 8.360 0.071 0.079 0.491 292 Q N -3.432 116.400 119.800 0.052 0.000 2.425 292 Q HA -0.006 nan 4.340 nan 0.000 0.204 292 Q C 0.833 176.859 176.000 0.044 0.000 0.933 292 Q CA 0.044 55.876 55.803 0.048 0.000 0.939 292 Q CB 0.818 29.589 28.738 0.054 0.000 1.044 292 Q HN -0.416 7.762 8.270 0.061 0.129 0.513 293 G N -1.234 107.593 108.800 0.044 0.000 2.179 293 G HA2 -0.403 nan 3.960 nan 0.000 0.257 293 G HA3 -0.403 nan 3.960 nan 0.000 0.257 293 G C -0.599 174.324 174.900 0.039 0.000 1.010 293 G CA 0.645 45.768 45.100 0.039 0.000 0.736 293 G HN -0.410 7.726 8.290 0.048 0.183 0.513 294 L N 0.000 121.251 121.223 0.046 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.867 54.840 0.044 0.000 0.813 294 L CB 0.000 42.089 42.059 0.051 0.000 0.961 294 L HN 0.000 8.235 8.230 0.052 0.027 0.502