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 1yew_1_J DATA FIRST_RESID 7 DATA SEQUENCE AVRSHAEAVQ VSRTIDWMAL FVVFFVIVGS YHIHAMLTMG DWDFWSDWKD DATA SEQUENCE RRLWVTVTPI VLVTFPAAVQ SYLWERYRLP WGATVCVLGL LLGEWINRYF DATA SEQUENCE NFWGWTYFPI NFVFPASLVP GAIILDTVLM LSGSYLFTAI VGAMGWGLIF DATA SEQUENCE YPGNWPIIAP LHVPVEYNGM LMSIADIQGY NYVRTGTPEY IRMVEKGTLR DATA SEQUENCE TFGKDVAPVS AFFSAFMSIL IYFMWHFIGR WFSNERFL 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.571 177.584 -0.022 0.000 1.274 7 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 7 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 8 V N 5.105 125.002 119.914 -0.027 0.000 2.205 8 V HA 0.623 4.743 4.120 -0.000 0.000 0.263 8 V C 0.798 176.863 176.094 -0.049 0.000 1.138 8 V CA 1.256 63.539 62.300 -0.030 0.000 1.059 8 V CB -0.635 31.177 31.823 -0.019 0.000 1.232 8 V HN 1.446 nan 8.190 nan 0.000 0.469 9 R N 2.949 123.414 120.500 -0.058 0.000 2.966 9 R HA -0.188 4.152 4.340 -0.000 0.000 0.140 9 R C 0.335 176.558 176.300 -0.128 0.000 0.857 9 R CA 1.860 57.919 56.100 -0.069 0.000 1.505 9 R CB -1.581 28.693 30.300 -0.042 0.000 0.659 9 R HN 1.071 nan 8.270 nan 0.000 0.664 10 S N -0.399 115.220 115.700 -0.135 0.000 2.634 10 S HA 0.451 4.921 4.470 -0.000 0.000 0.296 10 S C 0.745 175.213 174.600 -0.220 0.000 1.104 10 S CA -0.357 57.704 58.200 -0.232 0.000 0.920 10 S CB 1.455 64.614 63.200 -0.068 0.000 1.111 10 S HN 0.549 nan 8.310 nan 0.000 0.493 11 H N 0.570 119.644 119.070 0.007 0.000 2.491 11 H HA 0.043 4.599 4.556 -0.000 0.000 0.290 11 H C 2.083 177.416 175.328 0.009 0.000 1.050 11 H CA 1.153 57.205 56.048 0.007 0.000 1.309 11 H CB -0.420 29.345 29.762 0.005 0.000 1.392 11 H HN 0.735 nan 8.280 nan 0.000 0.554 12 A N 1.571 124.473 122.820 0.137 0.000 1.929 12 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 12 A C 2.365 179.981 177.584 0.053 0.000 1.176 12 A CA 1.488 53.578 52.037 0.088 0.000 0.628 12 A CB -0.252 18.795 19.000 0.078 0.000 0.816 12 A HN 0.492 nan 8.150 nan 0.000 0.444 13 E N -0.217 120.001 120.200 0.030 0.000 2.086 13 E HA 0.081 4.431 4.350 -0.000 0.000 0.190 13 E C 2.056 178.667 176.600 0.018 0.000 0.975 13 E CA 0.900 57.312 56.400 0.019 0.000 0.813 13 E CB -0.302 29.399 29.700 0.001 0.000 0.768 13 E HN 0.424 nan 8.360 nan 0.000 0.457 14 A N 1.126 123.953 122.820 0.011 0.000 1.859 14 A HA -0.212 4.107 4.320 -0.000 0.000 0.217 14 A C 2.496 180.096 177.584 0.026 0.000 1.198 14 A CA 1.791 53.836 52.037 0.014 0.000 0.629 14 A CB -1.309 17.697 19.000 0.011 0.000 0.830 14 A HN 0.274 nan 8.150 nan 0.000 0.446 15 V N -0.033 119.905 119.914 0.040 0.000 2.546 15 V HA -0.297 3.823 4.120 -0.000 0.000 0.254 15 V C 2.643 178.758 176.094 0.035 0.000 1.076 15 V CA 2.463 64.785 62.300 0.038 0.000 1.087 15 V CB -0.575 31.276 31.823 0.047 0.000 0.674 15 V HN 0.608 nan 8.190 nan 0.000 0.470 16 Q N -0.715 119.109 119.800 0.040 0.000 2.062 16 Q HA -0.109 4.231 4.340 -0.000 0.000 0.196 16 Q C 2.360 178.387 176.000 0.045 0.000 0.967 16 Q CA 2.101 57.933 55.803 0.047 0.000 0.832 16 Q CB -0.307 28.457 28.738 0.044 0.000 0.899 16 Q HN 0.750 nan 8.270 nan 0.000 0.442 17 V N -1.788 118.146 119.914 0.033 0.000 2.548 17 V HA -0.105 4.015 4.120 -0.000 0.000 0.249 17 V C 2.173 178.280 176.094 0.022 0.000 1.055 17 V CA 2.109 64.427 62.300 0.031 0.000 1.065 17 V CB -0.586 31.250 31.823 0.022 0.000 0.681 17 V HN 0.174 nan 8.190 nan 0.000 0.462 18 S N -0.060 115.647 115.700 0.012 0.000 2.453 18 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 18 S C 2.091 176.666 174.600 -0.042 0.000 1.005 18 S CA 1.362 59.559 58.200 -0.005 0.000 0.949 18 S CB -0.466 62.733 63.200 -0.001 0.000 0.774 18 S HN 0.649 nan 8.310 nan 0.000 0.510 19 R N 1.488 121.970 120.500 -0.029 0.000 2.052 19 R HA 0.008 4.348 4.340 -0.000 0.000 0.226 19 R C 2.573 178.828 176.300 -0.074 0.000 1.145 19 R CA 2.439 58.492 56.100 -0.079 0.000 0.952 19 R CB -1.585 28.733 30.300 0.031 0.000 0.847 19 R HN 0.540 nan 8.270 nan 0.000 0.431 20 T N -1.493 113.110 114.554 0.083 0.000 3.007 20 T HA -0.037 4.313 4.350 -0.000 0.000 0.270 20 T C 2.024 176.791 174.700 0.113 0.000 1.107 20 T CA 1.100 63.312 62.100 0.186 0.000 1.118 20 T CB -0.342 68.619 68.868 0.154 0.000 0.889 20 T HN 0.195 nan 8.240 nan 0.000 0.506 21 I N 1.492 122.082 120.570 0.032 0.000 2.133 21 I HA -0.122 4.047 4.170 -0.000 0.000 0.238 21 I C 2.399 178.504 176.117 -0.019 0.000 1.074 21 I CA 1.568 62.883 61.300 0.024 0.000 1.342 21 I CB -0.282 37.728 38.000 0.016 0.000 1.053 21 I HN 0.133 nan 8.210 nan 0.000 0.404 22 D N 0.221 120.527 120.400 -0.158 0.000 2.200 22 D HA -0.261 4.379 4.640 -0.000 0.000 0.192 22 D C 1.844 177.992 176.300 -0.254 0.000 1.008 22 D CA 1.718 55.538 54.000 -0.301 0.000 0.872 22 D CB -0.412 40.016 40.800 -0.619 0.000 0.923 22 D HN 0.456 nan 8.370 nan 0.000 0.447 23 W N 0.576 121.917 121.300 0.068 0.000 2.380 23 W HA -0.047 4.613 4.660 -0.000 0.000 0.317 23 W C 2.773 179.360 176.519 0.113 0.000 1.196 23 W CA 0.225 57.612 57.345 0.070 0.000 1.307 23 W CB -0.514 28.969 29.460 0.037 0.000 1.157 23 W HN -0.108 nan 8.180 nan 0.000 0.483 24 M N 0.556 120.333 119.600 0.294 0.000 2.089 24 M HA -0.271 4.209 4.480 -0.000 0.000 0.257 24 M C 2.354 178.818 176.300 0.273 0.000 1.071 24 M CA 2.140 57.575 55.300 0.224 0.000 1.096 24 M CB -1.431 31.252 32.600 0.138 0.000 1.330 24 M HN 0.152 nan 8.290 nan 0.000 0.403 25 A N 0.520 123.457 122.820 0.195 0.000 1.858 25 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 25 A C 2.159 179.876 177.584 0.221 0.000 1.190 25 A CA 1.598 53.742 52.037 0.178 0.000 0.617 25 A CB -0.960 18.105 19.000 0.110 0.000 0.827 25 A HN 0.414 nan 8.150 nan 0.000 0.443 26 L N -1.468 119.881 121.223 0.210 0.000 2.013 26 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 26 L C 2.254 179.297 176.870 0.289 0.000 1.073 26 L CA 2.456 57.426 54.840 0.216 0.000 0.753 26 L CB -0.727 41.433 42.059 0.168 0.000 0.890 26 L HN 0.482 nan 8.230 nan 0.000 0.432 27 F N -0.842 119.243 119.950 0.226 0.000 2.027 27 F HA -0.336 4.191 4.527 -0.000 0.000 0.297 27 F C 2.284 178.309 175.800 0.375 0.000 1.129 27 F CA 2.479 60.671 58.000 0.320 0.000 1.195 27 F CB -0.653 38.534 39.000 0.311 0.000 0.960 27 F HN -0.076 nan 8.300 nan 0.000 0.485 28 V N -0.154 120.047 119.914 0.479 0.000 2.231 28 V HA -0.363 3.756 4.120 -0.000 0.000 0.248 28 V C 2.394 178.596 176.094 0.181 0.000 1.054 28 V CA 1.901 64.386 62.300 0.308 0.000 1.015 28 V CB -1.081 30.901 31.823 0.265 0.000 0.638 28 V HN 0.358 nan 8.190 nan 0.000 0.444 29 V N -0.753 119.271 119.914 0.183 0.000 2.324 29 V HA -0.307 3.812 4.120 -0.000 0.000 0.250 29 V C 2.112 178.278 176.094 0.121 0.000 1.060 29 V CA 2.732 65.120 62.300 0.146 0.000 1.042 29 V CB -0.645 31.289 31.823 0.186 0.000 0.650 29 V HN 0.607 nan 8.190 nan 0.000 0.450 30 F N -0.039 119.881 119.950 -0.050 0.000 2.098 30 F HA -0.125 4.402 4.527 -0.000 0.000 0.294 30 F C 2.000 177.622 175.800 -0.297 0.000 1.107 30 F CA 1.718 59.595 58.000 -0.205 0.000 1.234 30 F CB -0.423 38.357 39.000 -0.366 0.000 1.002 30 F HN 0.147 nan 8.300 nan 0.000 0.472 31 F N -0.007 119.818 119.950 -0.208 0.000 2.234 31 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 31 F C 2.290 177.969 175.800 -0.201 0.000 1.087 31 F CA 1.116 58.928 58.000 -0.313 0.000 1.340 31 F CB -1.066 37.717 39.000 -0.362 0.000 1.031 31 F HN -0.183 nan 8.300 nan 0.000 0.500 32 V N -0.079 119.856 119.914 0.035 0.000 2.427 32 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 32 V C 2.329 178.437 176.094 0.023 0.000 1.051 32 V CA 1.272 63.597 62.300 0.042 0.000 1.048 32 V CB -0.481 31.373 31.823 0.052 0.000 0.666 32 V HN 0.268 nan 8.190 nan 0.000 0.456 33 I N -0.196 120.348 120.570 -0.042 0.000 2.058 33 I HA -0.245 3.925 4.170 -0.000 0.000 0.235 33 I C 2.463 178.543 176.117 -0.061 0.000 1.053 33 I CA 1.671 62.952 61.300 -0.033 0.000 1.313 33 I CB -0.462 37.476 38.000 -0.102 0.000 1.039 33 I HN 0.130 nan 8.210 nan 0.000 0.396 34 V N 1.271 121.027 119.914 -0.262 0.000 2.311 34 V HA -0.364 3.756 4.120 -0.000 0.000 0.256 34 V C 2.429 178.533 176.094 0.017 0.000 1.077 34 V CA 2.417 64.604 62.300 -0.189 0.000 1.067 34 V CB -1.703 29.944 31.823 -0.292 0.000 0.659 34 V HN 0.684 nan 8.190 nan 0.000 0.451 35 G N -0.367 108.458 108.800 0.042 0.000 2.424 35 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.214 35 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.214 35 G C 1.830 176.788 174.900 0.097 0.000 1.202 35 G CA 1.264 46.411 45.100 0.079 0.000 0.793 35 G HN 0.671 nan 8.290 nan 0.000 0.534 36 S N -1.010 114.766 115.700 0.127 0.000 2.395 36 S HA -0.021 4.449 4.470 -0.000 0.000 0.225 36 S C 2.101 176.781 174.600 0.133 0.000 1.027 36 S CA 0.880 59.195 58.200 0.191 0.000 0.965 36 S CB -0.753 62.624 63.200 0.295 0.000 0.812 36 S HN 0.491 nan 8.310 nan 0.000 0.482 37 Y N 1.691 121.825 120.300 -0.277 0.000 2.128 37 Y HA -0.308 4.242 4.550 -0.000 0.000 0.284 37 Y C 2.747 178.489 175.900 -0.263 0.000 1.154 37 Y CA 1.973 59.601 58.100 -0.787 0.000 1.149 37 Y CB -0.352 37.706 38.460 -0.670 0.000 0.976 37 Y HN 0.449 nan 8.280 nan 0.000 0.505 38 H N -0.493 118.482 119.070 -0.159 0.000 2.353 38 H HA -0.199 4.357 4.556 -0.000 0.000 0.300 38 H C 2.203 177.478 175.328 -0.089 0.000 1.090 38 H CA 1.234 57.190 56.048 -0.153 0.000 1.327 38 H CB 0.024 29.745 29.762 -0.069 0.000 1.383 38 H HN 0.283 nan 8.280 nan 0.000 0.508 39 I N 0.473 121.083 120.570 0.066 0.000 2.264 39 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 39 I C 2.307 178.463 176.117 0.065 0.000 1.111 39 I CA 1.620 62.938 61.300 0.029 0.000 1.382 39 I CB -0.958 37.078 38.000 0.059 0.000 1.060 39 I HN 0.464 nan 8.210 nan 0.000 0.418 40 H N 1.083 120.150 119.070 -0.006 0.000 2.276 40 H HA -0.048 4.508 4.556 -0.000 0.000 0.301 40 H C 2.263 177.580 175.328 -0.019 0.000 1.073 40 H CA 2.055 58.119 56.048 0.026 0.000 1.311 40 H CB 0.007 29.793 29.762 0.039 0.000 1.379 40 H HN 0.232 nan 8.280 nan 0.000 0.494 41 A N 0.585 123.370 122.820 -0.058 0.000 1.884 41 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 41 A C 2.440 179.978 177.584 -0.076 0.000 1.197 41 A CA 2.259 54.235 52.037 -0.101 0.000 0.637 41 A CB -0.998 17.898 19.000 -0.174 0.000 0.827 41 A HN 0.538 nan 8.150 nan 0.000 0.450 42 M N -1.378 118.211 119.600 -0.018 0.000 2.399 42 M HA -0.189 4.291 4.480 -0.000 0.000 0.263 42 M C 1.963 178.254 176.300 -0.014 0.000 1.067 42 M CA 1.879 57.163 55.300 -0.027 0.000 1.084 42 M CB -0.713 31.872 32.600 -0.025 0.000 1.252 42 M HN 0.340 nan 8.290 nan 0.000 0.454 43 L N -0.468 120.769 121.223 0.023 0.000 2.034 43 L HA -0.211 4.129 4.340 -0.000 0.000 0.217 43 L C 1.181 178.073 176.870 0.037 0.000 1.077 43 L CA 2.141 57.062 54.840 0.136 0.000 0.769 43 L CB -1.379 40.731 42.059 0.086 0.000 0.890 43 L HN 0.566 nan 8.230 nan 0.000 0.435 44 T N -1.797 112.693 114.554 -0.107 0.000 3.254 44 T HA 0.540 4.890 4.350 -0.000 0.000 0.385 44 T C -0.137 174.548 174.700 -0.026 0.000 1.528 44 T CA -0.150 61.884 62.100 -0.110 0.000 1.212 44 T CB -0.036 68.724 68.868 -0.181 0.000 1.145 44 T HN 0.316 nan 8.240 nan 0.000 0.631 45 M N -0.963 118.646 119.600 0.015 0.000 3.949 45 M HA 0.058 4.538 4.480 -0.000 0.000 0.158 45 M C -0.451 175.724 176.300 -0.209 0.000 1.489 45 M CA -0.572 54.777 55.300 0.083 0.000 1.065 45 M CB -1.423 31.381 32.600 0.341 0.000 1.480 45 M HN 0.488 nan 8.290 nan 0.000 0.249 46 G N 2.260 110.889 108.800 -0.285 0.000 2.716 46 G HA2 0.369 4.329 3.960 -0.000 0.000 0.296 46 G HA3 0.369 4.329 3.960 -0.000 0.000 0.296 46 G C -0.186 174.364 174.900 -0.585 0.000 0.811 46 G CA -0.066 44.834 45.100 -0.333 0.000 1.758 46 G HN 0.739 nan 8.290 nan 0.000 0.512 47 D N 0.929 120.737 120.400 -0.987 0.000 2.399 47 D HA 0.025 4.665 4.640 -0.000 0.000 0.241 47 D C 1.123 176.899 176.300 -0.873 0.000 1.133 47 D CA -0.410 52.991 54.000 -0.999 0.000 0.890 47 D CB 0.837 40.886 40.800 -1.252 0.000 1.201 47 D HN 0.435 nan 8.370 nan 0.000 0.432 48 W N 0.740 121.931 121.300 -0.183 0.000 2.388 48 W HA -0.131 4.529 4.660 -0.000 0.000 0.294 48 W C 1.723 178.089 176.519 -0.255 0.000 1.212 48 W CA 0.420 57.820 57.345 0.091 0.000 1.271 48 W CB -0.419 29.252 29.460 0.351 0.000 1.126 48 W HN 0.517 nan 8.180 nan 0.000 0.535 49 D N -0.164 120.183 120.400 -0.089 0.000 2.144 49 D HA -0.175 4.465 4.640 -0.000 0.000 0.199 49 D C 1.996 177.991 176.300 -0.509 0.000 0.984 49 D CA 1.279 55.152 54.000 -0.211 0.000 0.834 49 D CB -0.293 40.414 40.800 -0.156 0.000 0.955 49 D HN -0.202 nan 8.370 nan 0.000 0.465 50 F N -0.395 119.010 119.950 -0.908 0.000 2.120 50 F HA 0.003 4.530 4.527 -0.000 0.000 0.300 50 F C 0.428 175.070 175.800 -1.931 0.000 1.095 50 F CA 0.554 57.545 58.000 -1.682 0.000 1.249 50 F CB -0.996 36.705 39.000 -2.165 0.000 0.995 50 F HN 0.038 nan 8.300 nan 0.000 0.480 51 W N -0.366 120.543 121.300 -0.653 0.000 2.587 51 W HA 0.412 5.072 4.660 -0.000 0.000 0.324 51 W C 1.559 177.788 176.519 -0.484 0.000 1.040 51 W CA -0.294 56.609 57.345 -0.738 0.000 1.222 51 W CB 0.983 30.104 29.460 -0.566 0.000 1.381 51 W HN -0.197 nan 8.180 nan 0.000 0.483 52 S N 0.599 116.132 115.700 -0.278 0.000 2.389 52 S HA -0.349 4.121 4.470 -0.000 0.000 0.231 52 S C 1.235 175.973 174.600 0.229 0.000 1.052 52 S CA 2.128 60.309 58.200 -0.031 0.000 1.053 52 S CB -0.478 62.938 63.200 0.359 0.000 0.886 52 S HN 0.654 nan 8.310 nan 0.000 0.456 53 D N -1.512 119.157 120.400 0.448 0.000 2.344 53 D HA 0.014 4.654 4.640 -0.000 0.000 0.242 53 D C 0.405 176.936 176.300 0.385 0.000 1.159 53 D CA -0.201 54.025 54.000 0.377 0.000 0.859 53 D CB -0.669 40.342 40.800 0.352 0.000 0.925 53 D HN 0.652 nan 8.370 nan 0.000 0.510 54 W N 0.593 121.948 121.300 0.091 0.000 2.773 54 W HA 0.220 4.880 4.660 -0.000 0.000 0.297 54 W C 0.555 177.129 176.519 0.092 0.000 1.050 54 W CA -0.456 56.968 57.345 0.133 0.000 1.467 54 W CB 0.450 29.992 29.460 0.137 0.000 0.977 54 W HN -0.233 nan 8.180 nan 0.000 0.573 55 K N 3.095 123.460 120.400 -0.058 0.000 2.360 55 K HA 0.002 4.322 4.320 -0.000 0.000 0.225 55 K C -0.043 176.694 176.600 0.229 0.000 1.246 55 K CA 0.519 56.451 56.287 -0.591 0.000 1.198 55 K CB -1.161 30.642 32.500 -1.162 0.000 1.348 55 K HN 0.228 nan 8.250 nan 0.000 0.232 56 D N -0.467 120.184 120.400 0.418 0.000 2.478 56 D HA 0.094 4.734 4.640 -0.000 0.000 0.269 56 D C 0.757 177.276 176.300 0.366 0.000 1.232 56 D CA -0.583 53.642 54.000 0.375 0.000 1.059 56 D CB 0.730 41.664 40.800 0.223 0.000 1.104 56 D HN 0.079 nan 8.370 nan 0.000 0.566 57 R N -1.086 119.502 120.500 0.147 0.000 2.210 57 R HA 0.168 4.508 4.340 -0.000 0.000 0.203 57 R C 2.188 178.301 176.300 -0.312 0.000 1.010 57 R CA 0.237 56.285 56.100 -0.087 0.000 1.008 57 R CB 0.323 30.675 30.300 0.086 0.000 0.923 57 R HN 0.351 nan 8.270 nan 0.000 0.469 58 R N 0.572 120.885 120.500 -0.312 0.000 2.009 58 R HA 0.148 4.488 4.340 -0.000 0.000 0.206 58 R C 2.062 178.256 176.300 -0.177 0.000 1.356 58 R CA 0.378 56.260 56.100 -0.363 0.000 1.088 58 R CB -0.062 29.996 30.300 -0.402 0.000 0.959 58 R HN 0.015 nan 8.270 nan 0.000 0.469 59 L N -0.519 120.630 121.223 -0.123 0.000 2.005 59 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 59 L C 2.384 178.976 176.870 -0.463 0.000 1.072 59 L CA 1.355 56.043 54.840 -0.252 0.000 0.744 59 L CB -0.824 41.203 42.059 -0.054 0.000 0.895 59 L HN 0.356 nan 8.230 nan 0.000 0.433 60 W N 0.720 121.722 121.300 -0.497 0.000 2.317 60 W HA -0.209 4.451 4.660 -0.000 0.000 0.318 60 W C 2.390 178.827 176.519 -0.137 0.000 1.227 60 W CA 1.787 58.900 57.345 -0.386 0.000 1.269 60 W CB -0.572 28.928 29.460 0.067 0.000 1.155 60 W HN -0.172 nan 8.180 nan 0.000 0.484 61 V N 0.584 120.447 119.914 -0.085 0.000 2.469 61 V HA -0.354 3.766 4.120 -0.000 0.000 0.251 61 V C 2.193 178.183 176.094 -0.172 0.000 1.064 61 V CA 2.448 64.672 62.300 -0.127 0.000 1.066 61 V CB -1.321 30.429 31.823 -0.122 0.000 0.667 61 V HN 0.270 nan 8.190 nan 0.000 0.461 62 T N 0.095 114.550 114.554 -0.165 0.000 2.735 62 T HA -0.128 4.222 4.350 -0.000 0.000 0.256 62 T C 1.951 176.521 174.700 -0.218 0.000 1.042 62 T CA 1.789 63.832 62.100 -0.095 0.000 1.147 62 T CB -0.247 68.556 68.868 -0.108 0.000 0.865 62 T HN 0.462 nan 8.240 nan 0.000 0.421 63 V N 1.170 120.845 119.914 -0.398 0.000 2.379 63 V HA -0.118 4.002 4.120 -0.000 0.000 0.245 63 V C 2.305 178.198 176.094 -0.335 0.000 1.044 63 V CA 2.070 64.143 62.300 -0.378 0.000 1.036 63 V CB -1.675 29.829 31.823 -0.531 0.000 0.664 63 V HN 0.455 nan 8.190 nan 0.000 0.453 64 T N 1.665 115.914 114.554 -0.507 0.000 2.635 64 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 64 T C 0.042 174.459 174.700 -0.471 0.000 1.040 64 T CA 2.434 64.215 62.100 -0.532 0.000 1.156 64 T CB -1.718 66.643 68.868 -0.844 0.000 0.863 64 T HN 0.541 nan 8.240 nan 0.000 0.430 65 P HA 0.105 nan 4.420 nan 0.000 0.221 65 P C 1.418 178.921 177.300 0.338 0.000 1.150 65 P CA 0.746 63.785 63.100 -0.102 0.000 0.800 65 P CB -0.243 31.340 31.700 -0.195 0.000 0.787 66 I N -1.114 119.534 120.570 0.129 0.000 2.162 66 I HA -0.148 4.022 4.170 -0.000 0.000 0.238 66 I C 2.318 178.521 176.117 0.144 0.000 1.076 66 I CA 1.150 62.556 61.300 0.176 0.000 1.353 66 I CB -0.973 37.085 38.000 0.096 0.000 1.063 66 I HN -0.204 nan 8.210 nan 0.000 0.408 67 V N 0.986 120.948 119.914 0.081 0.000 2.867 67 V HA -0.183 3.937 4.120 -0.000 0.000 0.260 67 V C 1.992 178.235 176.094 0.249 0.000 1.099 67 V CA 1.497 63.879 62.300 0.137 0.000 1.122 67 V CB -0.038 31.819 31.823 0.056 0.000 0.708 67 V HN 0.285 nan 8.190 nan 0.000 0.490 68 L N -0.464 120.920 121.223 0.269 0.000 2.513 68 L HA 0.141 4.481 4.340 -0.000 0.000 0.222 68 L C 2.358 179.459 176.870 0.386 0.000 1.096 68 L CA 1.576 56.659 54.840 0.406 0.000 0.857 68 L CB -0.050 42.285 42.059 0.459 0.000 1.026 68 L HN 0.361 nan 8.230 nan 0.000 0.469 69 V N -3.492 116.475 119.914 0.089 0.000 2.490 69 V HA -0.246 3.874 4.120 -0.000 0.000 0.250 69 V C 2.308 178.282 176.094 -0.201 0.000 1.061 69 V CA 1.757 63.798 62.300 -0.432 0.000 1.064 69 V CB -2.076 29.434 31.823 -0.522 0.000 0.670 69 V HN 0.485 nan 8.190 nan 0.000 0.461 70 T N 0.697 115.260 114.554 0.014 0.000 2.481 70 T HA -0.387 3.963 4.350 -0.000 0.000 0.252 70 T C 1.579 176.234 174.700 -0.075 0.000 1.242 70 T CA 2.555 64.655 62.100 0.001 0.000 1.170 70 T CB -1.264 67.645 68.868 0.068 0.000 0.860 70 T HN 0.499 nan 8.240 nan 0.000 0.422 71 F N 2.315 122.099 119.950 -0.277 0.000 2.046 71 F HA -0.008 4.519 4.527 -0.000 0.000 0.297 71 F C -0.144 175.406 175.800 -0.417 0.000 1.123 71 F CA 1.037 58.783 58.000 -0.423 0.000 1.199 71 F CB -1.677 36.845 39.000 -0.798 0.000 0.972 71 F HN 0.195 nan 8.300 nan 0.000 0.474 72 P HA -0.342 nan 4.420 nan 0.000 0.216 72 P C 1.482 178.516 177.300 -0.442 0.000 1.167 72 P CA 2.714 65.641 63.100 -0.288 0.000 0.933 72 P CB -0.365 31.107 31.700 -0.380 0.000 0.793 73 A N -0.645 121.788 122.820 -0.644 0.000 1.903 73 A HA -0.245 4.074 4.320 -0.000 0.000 0.219 73 A C 2.329 179.586 177.584 -0.545 0.000 1.191 73 A CA 2.910 54.358 52.037 -0.983 0.000 0.638 73 A CB -1.646 16.913 19.000 -0.735 0.000 0.823 73 A HN 0.269 nan 8.150 nan 0.000 0.451 74 A N -0.545 122.061 122.820 -0.355 0.000 1.832 74 A HA 0.062 4.381 4.320 -0.000 0.000 0.214 74 A C 2.355 179.837 177.584 -0.169 0.000 1.204 74 A CA 1.993 53.875 52.037 -0.258 0.000 0.606 74 A CB -1.329 17.475 19.000 -0.328 0.000 0.849 74 A HN 1.280 nan 8.150 nan 0.000 0.445 75 V N -0.446 119.369 119.914 -0.165 0.000 2.720 75 V HA -0.275 3.845 4.120 -0.000 0.000 0.256 75 V C 2.171 178.276 176.094 0.018 0.000 1.082 75 V CA 2.760 65.034 62.300 -0.044 0.000 1.101 75 V CB -0.913 30.887 31.823 -0.038 0.000 0.693 75 V HN 0.681 nan 8.190 nan 0.000 0.479 76 Q N 1.649 121.408 119.800 -0.068 0.000 2.084 76 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 76 Q C 2.243 178.370 176.000 0.212 0.000 0.978 76 Q CA 2.281 58.091 55.803 0.012 0.000 0.844 76 Q CB -0.275 28.367 28.738 -0.159 0.000 0.898 76 Q HN 0.937 nan 8.270 nan 0.000 0.426 77 S N -1.309 114.452 115.700 0.101 0.000 2.603 77 S HA -0.058 4.412 4.470 -0.000 0.000 0.220 77 S C 1.375 176.081 174.600 0.176 0.000 0.967 77 S CA 0.070 58.306 58.200 0.060 0.000 0.920 77 S CB -0.146 62.916 63.200 -0.230 0.000 0.773 77 S HN 0.598 nan 8.310 nan 0.000 0.529 78 Y N 1.381 121.721 120.300 0.068 0.000 2.284 78 Y HA 0.348 4.898 4.550 -0.000 0.000 0.293 78 Y C 1.849 177.854 175.900 0.175 0.000 1.140 78 Y CA 0.369 58.531 58.100 0.103 0.000 1.153 78 Y CB -0.223 38.272 38.460 0.058 0.000 1.114 78 Y HN 0.132 nan 8.280 nan 0.000 0.521 79 L N -0.119 121.156 121.223 0.088 0.000 2.013 79 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 79 L C 2.490 179.377 176.870 0.028 0.000 1.073 79 L CA 1.946 56.739 54.840 -0.078 0.000 0.753 79 L CB -0.743 41.170 42.059 -0.243 0.000 0.890 79 L HN 0.585 nan 8.230 nan 0.000 0.432 80 W N 1.097 122.369 121.300 -0.047 0.000 2.443 80 W HA -0.159 4.501 4.660 -0.000 0.000 0.296 80 W C 2.322 178.848 176.519 0.011 0.000 1.202 80 W CA 1.255 58.585 57.345 -0.025 0.000 1.312 80 W CB 0.119 29.585 29.460 0.009 0.000 1.120 80 W HN 0.166 nan 8.180 nan 0.000 0.536 81 E N 0.867 121.185 120.200 0.196 0.000 2.085 81 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 81 E C 2.026 178.519 176.600 -0.179 0.000 0.994 81 E CA 1.764 58.196 56.400 0.053 0.000 0.801 81 E CB -0.163 29.645 29.700 0.180 0.000 0.743 81 E HN -0.020 nan 8.360 nan 0.000 0.453 82 R N -1.687 118.674 120.500 -0.231 0.000 2.373 82 R HA 0.145 4.485 4.340 -0.000 0.000 0.221 82 R C 0.792 176.687 176.300 -0.676 0.000 0.893 82 R CA 0.369 56.217 56.100 -0.420 0.000 1.049 82 R CB 0.195 30.186 30.300 -0.516 0.000 1.119 82 R HN 0.294 nan 8.270 nan 0.000 0.535 83 Y N -0.886 119.214 120.300 -0.333 0.000 2.437 83 Y HA 0.266 4.816 4.550 -0.000 0.000 0.266 83 Y C 0.538 176.252 175.900 -0.311 0.000 1.077 83 Y CA -0.660 57.276 58.100 -0.273 0.000 1.235 83 Y CB 0.601 38.911 38.460 -0.249 0.000 1.303 83 Y HN -0.185 nan 8.280 nan 0.000 0.536 84 R N 1.025 121.321 120.500 -0.341 0.000 3.516 84 R HA -0.180 4.160 4.340 -0.000 0.000 0.271 84 R C -1.464 174.737 176.300 -0.165 0.000 1.098 84 R CA 0.227 55.954 56.100 -0.622 0.000 0.732 84 R CB -2.029 27.835 30.300 -0.728 0.000 1.152 84 R HN 0.312 nan 8.270 nan 0.000 0.455 85 L N 1.287 122.468 121.223 -0.071 0.000 2.261 85 L HA 0.345 4.685 4.340 -0.000 0.000 0.289 85 L C -1.280 175.470 176.870 -0.199 0.000 1.059 85 L CA -1.704 53.010 54.840 -0.210 0.000 0.816 85 L CB 1.203 42.911 42.059 -0.585 0.000 1.191 85 L HN 0.015 nan 8.230 nan 0.000 0.431 86 P HA 0.036 nan 4.420 nan 0.000 0.249 86 P C 0.160 177.498 177.300 0.063 0.000 1.583 86 P CA -0.015 63.157 63.100 0.119 0.000 0.988 86 P CB -0.079 31.743 31.700 0.204 0.000 1.530 87 W N -1.795 119.592 121.300 0.145 0.000 3.102 87 W HA 0.423 5.083 4.660 -0.000 0.000 0.401 87 W C 0.853 177.432 176.519 0.100 0.000 1.070 87 W CA -0.099 57.311 57.345 0.108 0.000 1.921 87 W CB -1.483 28.036 29.460 0.097 0.000 1.118 87 W HN -0.140 nan 8.180 nan 0.000 0.647 88 G N 2.787 111.588 108.800 0.002 0.000 2.681 88 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.220 88 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.220 88 G C 1.704 176.666 174.900 0.103 0.000 1.210 88 G CA 2.971 48.084 45.100 0.022 0.000 0.783 88 G HN 0.340 nan 8.290 nan 0.000 0.609 89 A N 0.065 122.936 122.820 0.084 0.000 1.858 89 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 89 A C 2.705 180.411 177.584 0.203 0.000 1.190 89 A CA 3.383 55.477 52.037 0.095 0.000 0.617 89 A CB -1.333 17.732 19.000 0.107 0.000 0.827 89 A HN 0.815 nan 8.150 nan 0.000 0.443 90 T N -2.592 112.114 114.554 0.253 0.000 2.821 90 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 90 T C 1.739 176.598 174.700 0.264 0.000 1.046 90 T CA 1.599 63.856 62.100 0.261 0.000 1.139 90 T CB -0.780 68.230 68.868 0.236 0.000 0.871 90 T HN 0.280 nan 8.240 nan 0.000 0.454 91 V N 0.964 121.077 119.914 0.331 0.000 2.469 91 V HA -0.179 3.941 4.120 -0.000 0.000 0.251 91 V C 2.759 178.994 176.094 0.236 0.000 1.064 91 V CA 2.134 64.637 62.300 0.337 0.000 1.066 91 V CB -1.108 31.038 31.823 0.539 0.000 0.667 91 V HN 0.847 nan 8.190 nan 0.000 0.461 92 C N -1.260 118.121 119.300 0.134 0.000 2.462 92 C HA -0.075 4.385 4.460 -0.000 0.000 0.278 92 C C 2.585 177.681 174.990 0.177 0.000 1.253 92 C CA 0.894 59.892 59.018 -0.033 0.000 1.713 92 C CB -1.104 26.439 27.740 -0.329 0.000 2.049 92 C HN 0.457 nan 8.230 nan 0.000 0.477 93 V N 1.321 121.400 119.914 0.274 0.000 2.252 93 V HA -0.259 3.860 4.120 -0.000 0.000 0.249 93 V C 2.429 178.675 176.094 0.254 0.000 1.056 93 V CA 2.192 64.697 62.300 0.341 0.000 1.022 93 V CB -0.683 31.337 31.823 0.328 0.000 0.641 93 V HN 0.556 nan 8.190 nan 0.000 0.445 94 L N 0.094 121.459 121.223 0.237 0.000 2.079 94 L HA -0.140 4.199 4.340 -0.000 0.000 0.210 94 L C 2.574 179.592 176.870 0.247 0.000 1.081 94 L CA 1.722 56.707 54.840 0.243 0.000 0.752 94 L CB -1.152 41.059 42.059 0.252 0.000 0.896 94 L HN 0.482 nan 8.230 nan 0.000 0.433 95 G N 0.159 109.040 108.800 0.136 0.000 2.433 95 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 95 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 95 G C 1.544 176.401 174.900 -0.071 0.000 1.186 95 G CA 0.835 45.800 45.100 -0.224 0.000 0.779 95 G HN 0.224 nan 8.290 nan 0.000 0.543 96 L N -0.091 121.162 121.223 0.050 0.000 2.042 96 L HA 0.010 4.350 4.340 -0.000 0.000 0.210 96 L C 2.581 179.385 176.870 -0.111 0.000 1.076 96 L CA 1.351 56.127 54.840 -0.107 0.000 0.749 96 L CB -0.516 41.447 42.059 -0.160 0.000 0.893 96 L HN 0.117 nan 8.230 nan 0.000 0.432 97 L N -1.150 120.104 121.223 0.051 0.000 1.994 97 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 97 L C 2.432 179.438 176.870 0.228 0.000 1.071 97 L CA 1.796 56.721 54.840 0.142 0.000 0.745 97 L CB -1.248 40.951 42.059 0.234 0.000 0.892 97 L HN 0.367 nan 8.230 nan 0.000 0.431 98 L N -0.562 120.790 121.223 0.216 0.000 2.046 98 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 98 L C 2.329 179.309 176.870 0.183 0.000 1.077 98 L CA 2.038 57.020 54.840 0.238 0.000 0.747 98 L CB -1.166 41.043 42.059 0.250 0.000 0.896 98 L HN 0.285 nan 8.230 nan 0.000 0.432 99 G N -1.129 107.717 108.800 0.076 0.000 2.491 99 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 99 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 99 G C 1.446 176.363 174.900 0.028 0.000 1.180 99 G CA 0.984 46.109 45.100 0.042 0.000 0.774 99 G HN 0.526 nan 8.290 nan 0.000 0.562 100 E N -0.488 119.615 120.200 -0.162 0.000 2.051 100 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 100 E C 2.232 178.847 176.600 0.025 0.000 0.991 100 E CA 0.832 57.170 56.400 -0.103 0.000 0.799 100 E CB -0.204 29.343 29.700 -0.256 0.000 0.748 100 E HN 0.682 nan 8.360 nan 0.000 0.449 101 W N 1.095 122.446 121.300 0.085 0.000 2.332 101 W HA -0.173 4.487 4.660 -0.000 0.000 0.321 101 W C 2.186 178.815 176.519 0.183 0.000 1.219 101 W CA 0.783 58.211 57.345 0.138 0.000 1.277 101 W CB -0.311 29.210 29.460 0.103 0.000 1.161 101 W HN 0.025 nan 8.180 nan 0.000 0.476 102 I N 0.247 121.022 120.570 0.342 0.000 2.236 102 I HA -0.415 3.755 4.170 -0.000 0.000 0.249 102 I C 2.423 178.641 176.117 0.169 0.000 1.102 102 I CA 1.614 62.983 61.300 0.115 0.000 1.365 102 I CB -0.812 37.144 38.000 -0.074 0.000 1.051 102 I HN 0.247 nan 8.210 nan 0.000 0.420 103 N N 0.927 119.754 118.700 0.211 0.000 2.135 103 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 103 N C 2.040 177.743 175.510 0.322 0.000 1.027 103 N CA 0.929 54.103 53.050 0.208 0.000 0.849 103 N CB 0.118 38.725 38.487 0.200 0.000 1.002 103 N HN 0.176 nan 8.380 nan 0.000 0.425 104 R N 0.191 120.905 120.500 0.356 0.000 2.105 104 R HA -0.143 4.197 4.340 -0.000 0.000 0.239 104 R C 1.916 178.544 176.300 0.545 0.000 1.135 104 R CA 0.896 57.221 56.100 0.375 0.000 0.967 104 R CB -1.388 28.927 30.300 0.024 0.000 0.861 104 R HN 0.452 nan 8.270 nan 0.000 0.442 105 Y N 0.129 120.752 120.300 0.539 0.000 2.138 105 Y HA -0.055 4.495 4.550 -0.000 0.000 0.286 105 Y C 2.041 178.328 175.900 0.645 0.000 1.115 105 Y CA 1.312 59.812 58.100 0.666 0.000 1.105 105 Y CB -0.579 38.323 38.460 0.736 0.000 1.004 105 Y HN -0.082 nan 8.280 nan 0.000 0.494 106 F N -0.232 119.823 119.950 0.176 0.000 2.558 106 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 106 F C 1.674 177.427 175.800 -0.079 0.000 1.119 106 F CA 0.413 58.401 58.000 -0.020 0.000 1.451 106 F CB 0.065 39.097 39.000 0.053 0.000 1.091 106 F HN 0.188 nan 8.300 nan 0.000 0.563 107 N N -0.938 117.877 118.700 0.192 0.000 2.782 107 N HA 0.050 4.790 4.740 -0.000 0.000 0.244 107 N C 1.540 177.122 175.510 0.121 0.000 1.029 107 N CA 0.235 53.349 53.050 0.106 0.000 0.999 107 N CB -0.657 37.832 38.487 0.002 0.000 1.634 107 N HN 0.107 nan 8.380 nan 0.000 0.478 108 F N 0.998 121.020 119.950 0.121 0.000 2.171 108 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 108 F C 2.334 178.321 175.800 0.311 0.000 1.090 108 F CA 1.173 59.252 58.000 0.131 0.000 1.293 108 F CB 0.372 39.351 39.000 -0.035 0.000 1.013 108 F HN 0.259 nan 8.300 nan 0.000 0.486 109 W N 0.071 121.517 121.300 0.245 0.000 2.780 109 W HA 0.122 4.782 4.660 -0.000 0.000 0.272 109 W C 2.077 178.432 176.519 -0.273 0.000 1.116 109 W CA 1.057 58.443 57.345 0.068 0.000 1.600 109 W CB -0.906 28.605 29.460 0.086 0.000 1.086 109 W HN -0.014 nan 8.180 nan 0.000 0.584 110 G N 1.091 109.534 108.800 -0.594 0.000 2.491 110 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.218 110 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.218 110 G C 1.171 175.625 174.900 -0.744 0.000 1.180 110 G CA 1.445 46.072 45.100 -0.788 0.000 0.774 110 G HN 0.397 nan 8.290 nan 0.000 0.562 111 W N 1.997 122.944 121.300 -0.588 0.000 2.539 111 W HA 0.196 4.856 4.660 -0.000 0.000 0.315 111 W C 1.504 177.717 176.519 -0.509 0.000 1.148 111 W CA 1.467 58.543 57.345 -0.449 0.000 1.403 111 W CB -0.844 28.471 29.460 -0.241 0.000 1.168 111 W HN 0.166 nan 8.180 nan 0.000 0.489 112 T N -1.374 113.050 114.554 -0.217 0.000 2.882 112 T HA 0.220 4.570 4.350 -0.000 0.000 0.287 112 T C -0.869 173.724 174.700 -0.178 0.000 0.992 112 T CA -0.381 61.615 62.100 -0.172 0.000 1.076 112 T CB 1.275 70.182 68.868 0.064 0.000 0.961 112 T HN 0.046 nan 8.240 nan 0.000 0.490 113 Y N 1.740 121.921 120.300 -0.199 0.000 2.880 113 Y HA 0.377 4.927 4.550 -0.000 0.000 0.386 113 Y C -0.240 175.729 175.900 0.115 0.000 1.172 113 Y CA -1.422 56.603 58.100 -0.125 0.000 1.770 113 Y CB -0.731 37.594 38.460 -0.224 0.000 1.809 113 Y HN 0.577 nan 8.280 nan 0.000 0.472 114 F N 2.625 122.875 119.950 0.500 0.000 2.456 114 F HA 0.298 4.825 4.527 -0.000 0.000 0.358 114 F C -1.867 174.218 175.800 0.475 0.000 1.095 114 F CA -2.859 55.431 58.000 0.483 0.000 1.216 114 F CB 0.350 39.642 39.000 0.487 0.000 1.125 114 F HN 0.149 nan 8.300 nan 0.000 0.549 115 P HA 0.028 nan 4.420 nan 0.000 0.268 115 P C 0.826 178.206 177.300 0.133 0.000 1.204 115 P CA 0.013 63.134 63.100 0.035 0.000 0.768 115 P CB 0.719 32.289 31.700 -0.216 0.000 0.842 116 I N 2.999 123.560 120.570 -0.014 0.000 2.264 116 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 116 I C 1.962 178.249 176.117 0.284 0.000 1.111 116 I CA 1.461 62.861 61.300 0.167 0.000 1.382 116 I CB -0.742 37.376 38.000 0.197 0.000 1.060 116 I HN 0.459 nan 8.210 nan 0.000 0.418 117 N N -0.396 118.432 118.700 0.212 0.000 2.588 117 N HA -0.252 4.487 4.740 -0.000 0.000 0.190 117 N C 1.756 177.612 175.510 0.575 0.000 1.094 117 N CA 1.080 54.309 53.050 0.298 0.000 0.921 117 N CB -0.373 38.200 38.487 0.143 0.000 0.959 117 N HN 0.349 nan 8.380 nan 0.000 0.448 118 F N 2.137 122.239 119.950 0.254 0.000 2.399 118 F HA 0.141 4.668 4.527 -0.000 0.000 0.282 118 F C 1.912 177.659 175.800 -0.088 0.000 1.027 118 F CA 0.148 58.245 58.000 0.161 0.000 1.333 118 F CB -0.395 38.693 39.000 0.146 0.000 1.132 118 F HN -0.074 nan 8.300 nan 0.000 0.590 119 V N 0.481 120.245 119.914 -0.249 0.000 3.499 119 V HA 0.196 4.316 4.120 -0.000 0.000 0.308 119 V C 0.344 176.037 176.094 -0.669 0.000 1.319 119 V CA -0.540 61.307 62.300 -0.756 0.000 1.194 119 V CB -2.605 28.686 31.823 -0.888 0.000 1.072 119 V HN 0.160 nan 8.190 nan 0.000 0.426 120 F N 0.712 120.461 119.950 -0.335 0.000 2.506 120 F HA 0.751 5.278 4.527 -0.000 0.000 0.351 120 F C -1.913 173.619 175.800 -0.447 0.000 1.136 120 F CA -3.164 54.580 58.000 -0.426 0.000 1.298 120 F CB -0.730 38.200 39.000 -0.117 0.000 1.145 120 F HN -0.017 nan 8.300 nan 0.000 0.593 121 P HA 0.310 nan 4.420 nan 0.000 0.278 121 P C -1.074 176.275 177.300 0.082 0.000 1.258 121 P CA -0.503 62.425 63.100 -0.287 0.000 0.811 121 P CB 1.182 32.619 31.700 -0.437 0.000 1.063 122 A N 1.103 124.042 122.820 0.198 0.000 2.388 122 A HA 0.341 4.661 4.320 -0.000 0.000 0.257 122 A C 0.639 178.395 177.584 0.286 0.000 1.095 122 A CA -0.131 52.164 52.037 0.429 0.000 0.791 122 A CB -0.422 19.013 19.000 0.726 0.000 1.029 122 A HN 0.513 nan 8.150 nan 0.000 0.489 123 S N 1.235 117.073 115.700 0.230 0.000 2.528 123 S HA 0.434 4.904 4.470 -0.000 0.000 0.277 123 S C 0.527 175.178 174.600 0.085 0.000 1.297 123 S CA -0.457 57.832 58.200 0.148 0.000 1.052 123 S CB -0.102 63.155 63.200 0.096 0.000 0.917 123 S HN 0.570 nan 8.310 nan 0.000 0.492 124 L N 4.674 125.958 121.223 0.101 0.000 2.803 124 L HA 0.165 4.505 4.340 -0.000 0.000 0.246 124 L C 2.022 178.914 176.870 0.037 0.000 1.100 124 L CA 0.052 54.927 54.840 0.058 0.000 0.919 124 L CB -0.333 41.791 42.059 0.108 0.000 1.285 124 L HN 0.511 nan 8.230 nan 0.000 0.522 125 V N 1.307 121.272 119.914 0.084 0.000 2.252 125 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 125 V C -0.132 176.011 176.094 0.082 0.000 1.056 125 V CA 2.363 64.724 62.300 0.102 0.000 1.022 125 V CB -1.555 30.326 31.823 0.097 0.000 0.641 125 V HN 0.260 nan 8.190 nan 0.000 0.445 126 P HA -0.240 nan 4.420 nan 0.000 0.216 126 P C 1.763 179.100 177.300 0.062 0.000 1.167 126 P CA 2.335 65.457 63.100 0.036 0.000 0.933 126 P CB -0.555 31.143 31.700 -0.004 0.000 0.793 127 G N -0.252 108.545 108.800 -0.006 0.000 2.624 127 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.221 127 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.221 127 G C 1.689 176.814 174.900 0.375 0.000 1.169 127 G CA 1.707 46.839 45.100 0.053 0.000 0.771 127 G HN 0.424 nan 8.290 nan 0.000 0.598 128 A N 0.197 123.246 122.820 0.381 0.000 1.908 128 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 128 A C 2.399 180.149 177.584 0.276 0.000 1.181 128 A CA 1.687 53.990 52.037 0.444 0.000 0.627 128 A CB -0.366 18.866 19.000 0.386 0.000 0.818 128 A HN 0.326 nan 8.150 nan 0.000 0.445 129 I N 0.200 120.892 120.570 0.202 0.000 2.163 129 I HA -0.250 3.919 4.170 -0.000 0.000 0.243 129 I C 2.326 178.525 176.117 0.137 0.000 1.085 129 I CA 1.166 62.557 61.300 0.151 0.000 1.347 129 I CB -0.326 37.742 38.000 0.113 0.000 1.044 129 I HN 0.347 nan 8.210 nan 0.000 0.408 130 I N -0.540 120.120 120.570 0.150 0.000 2.194 130 I HA -0.351 3.819 4.170 -0.000 0.000 0.246 130 I C 2.447 178.644 176.117 0.133 0.000 1.093 130 I CA 1.500 62.877 61.300 0.128 0.000 1.355 130 I CB -0.419 37.661 38.000 0.134 0.000 1.046 130 I HN 0.222 nan 8.210 nan 0.000 0.413 131 L N 0.023 121.365 121.223 0.198 0.000 2.027 131 L HA -0.222 4.118 4.340 -0.000 0.000 0.206 131 L C 2.280 179.210 176.870 0.099 0.000 1.074 131 L CA 1.355 56.301 54.840 0.177 0.000 0.745 131 L CB -0.583 41.599 42.059 0.204 0.000 0.898 131 L HN 0.267 nan 8.230 nan 0.000 0.433 132 D N -0.567 119.891 120.400 0.096 0.000 2.097 132 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 132 D C 2.174 178.451 176.300 -0.038 0.000 0.989 132 D CA 2.117 56.140 54.000 0.038 0.000 0.827 132 D CB -0.065 40.800 40.800 0.108 0.000 0.966 132 D HN 0.404 nan 8.370 nan 0.000 0.456 133 T N -1.151 113.408 114.554 0.009 0.000 2.737 133 T HA -0.083 4.267 4.350 -0.000 0.000 0.265 133 T C 2.249 176.917 174.700 -0.054 0.000 1.038 133 T CA 0.999 63.089 62.100 -0.017 0.000 1.144 133 T CB -0.775 68.110 68.868 0.028 0.000 0.866 133 T HN -0.067 nan 8.240 nan 0.000 0.434 134 V N 2.156 122.063 119.914 -0.013 0.000 2.490 134 V HA -0.044 4.076 4.120 -0.000 0.000 0.250 134 V C 2.633 178.703 176.094 -0.041 0.000 1.061 134 V CA 1.566 63.877 62.300 0.019 0.000 1.064 134 V CB -0.736 31.104 31.823 0.027 0.000 0.670 134 V HN 0.545 nan 8.190 nan 0.000 0.461 135 L N -1.179 119.946 121.223 -0.163 0.000 2.240 135 L HA -0.045 4.295 4.340 -0.000 0.000 0.211 135 L C 2.061 178.470 176.870 -0.768 0.000 1.106 135 L CA 1.732 56.340 54.840 -0.386 0.000 0.793 135 L CB -0.287 41.576 42.059 -0.327 0.000 0.927 135 L HN 0.321 nan 8.230 nan 0.000 0.446 136 M N 0.497 119.705 119.600 -0.652 0.000 2.085 136 M HA -0.049 4.431 4.480 -0.000 0.000 0.258 136 M C 0.916 177.011 176.300 -0.340 0.000 1.089 136 M CA 0.831 55.675 55.300 -0.760 0.000 1.123 136 M CB -0.162 32.232 32.600 -0.344 0.000 1.284 136 M HN 0.106 nan 8.290 nan 0.000 0.421 137 L N 1.600 122.727 121.223 -0.160 0.000 2.492 137 L HA -0.035 4.305 4.340 -0.000 0.000 0.280 137 L C 0.809 177.599 176.870 -0.134 0.000 1.240 137 L CA -0.131 54.656 54.840 -0.089 0.000 0.831 137 L CB -0.383 41.646 42.059 -0.050 0.000 1.100 137 L HN 0.635 nan 8.230 nan 0.000 0.505 138 S N -0.060 115.552 115.700 -0.146 0.000 3.405 138 S HA -0.171 4.299 4.470 -0.000 0.000 0.373 138 S C 0.727 175.202 174.600 -0.209 0.000 0.939 138 S CA 0.270 58.318 58.200 -0.253 0.000 1.295 138 S CB -2.002 60.904 63.200 -0.489 0.000 0.919 138 S HN 1.133 nan 8.310 nan 0.000 0.535 139 G N 0.541 109.253 108.800 -0.146 0.000 3.353 139 G HA2 0.382 4.342 3.960 -0.000 0.000 0.247 139 G HA3 0.382 4.342 3.960 -0.000 0.000 0.247 139 G C 0.023 174.832 174.900 -0.153 0.000 1.025 139 G CA 0.247 45.256 45.100 -0.151 0.000 1.863 139 G HN 0.771 nan 8.290 nan 0.000 0.635 140 S N -0.553 115.048 115.700 -0.166 0.000 2.451 140 S HA 0.419 4.889 4.470 -0.000 0.000 0.301 140 S C 1.048 175.551 174.600 -0.161 0.000 1.116 140 S CA -0.753 57.370 58.200 -0.129 0.000 1.093 140 S CB 0.774 63.948 63.200 -0.043 0.000 1.017 140 S HN 0.387 nan 8.310 nan 0.000 0.482 141 Y N 3.474 123.737 120.300 -0.063 0.000 2.114 141 Y HA -0.140 4.410 4.550 -0.000 0.000 0.284 141 Y C 2.190 177.878 175.900 -0.355 0.000 1.143 141 Y CA 1.630 59.621 58.100 -0.182 0.000 1.135 141 Y CB -0.274 38.136 38.460 -0.084 0.000 0.980 141 Y HN 0.706 nan 8.280 nan 0.000 0.499 142 L N -0.658 120.500 121.223 -0.107 0.000 2.034 142 L HA -0.322 4.018 4.340 -0.000 0.000 0.217 142 L C 2.315 179.041 176.870 -0.240 0.000 1.077 142 L CA 1.872 56.568 54.840 -0.239 0.000 0.769 142 L CB -0.595 41.382 42.059 -0.137 0.000 0.890 142 L HN 0.271 nan 8.230 nan 0.000 0.435 143 F N -0.008 119.784 119.950 -0.262 0.000 2.102 143 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 143 F C 2.376 177.994 175.800 -0.303 0.000 1.105 143 F CA 2.317 60.169 58.000 -0.247 0.000 1.239 143 F CB -0.478 38.407 39.000 -0.192 0.000 0.991 143 F HN 0.141 nan 8.300 nan 0.000 0.474 144 T N 0.543 114.908 114.554 -0.314 0.000 2.652 144 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 144 T C 2.198 176.490 174.700 -0.681 0.000 1.039 144 T CA 1.411 63.252 62.100 -0.432 0.000 1.153 144 T CB -1.142 67.544 68.868 -0.303 0.000 0.863 144 T HN 0.380 nan 8.240 nan 0.000 0.428 145 A N 0.995 123.242 122.820 -0.954 0.000 1.948 145 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 145 A C 2.326 179.449 177.584 -0.769 0.000 1.177 145 A CA 1.547 53.044 52.037 -0.900 0.000 0.636 145 A CB -0.809 17.727 19.000 -0.774 0.000 0.815 145 A HN 0.565 nan 8.150 nan 0.000 0.449 146 I N -0.626 119.494 120.570 -0.750 0.000 2.270 146 I HA -0.121 4.049 4.170 -0.000 0.000 0.239 146 I C 2.406 178.124 176.117 -0.664 0.000 1.080 146 I CA 1.279 62.078 61.300 -0.835 0.000 1.383 146 I CB -0.190 37.505 38.000 -0.508 0.000 1.097 146 I HN 0.282 nan 8.210 nan 0.000 0.420 147 V N -1.331 118.170 119.914 -0.687 0.000 2.500 147 V HA 0.176 4.296 4.120 -0.000 0.000 0.243 147 V C 2.396 178.277 176.094 -0.355 0.000 1.039 147 V CA 1.262 63.237 62.300 -0.541 0.000 1.053 147 V CB -1.726 29.656 31.823 -0.734 0.000 0.695 147 V HN 0.381 nan 8.190 nan 0.000 0.463 148 G N 0.485 109.063 108.800 -0.370 0.000 2.446 148 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 148 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 148 G C 1.702 176.623 174.900 0.034 0.000 1.168 148 G CA 1.604 46.630 45.100 -0.123 0.000 0.771 148 G HN 0.814 nan 8.290 nan 0.000 0.551 149 A N 0.209 123.021 122.820 -0.013 0.000 1.855 149 A HA 0.073 4.393 4.320 -0.000 0.000 0.215 149 A C 2.334 180.034 177.584 0.194 0.000 1.191 149 A CA 2.183 54.305 52.037 0.142 0.000 0.613 149 A CB -0.517 18.587 19.000 0.173 0.000 0.829 149 A HN 0.359 nan 8.150 nan 0.000 0.442 150 M N 0.337 119.968 119.600 0.050 0.000 2.240 150 M HA -0.263 4.217 4.480 -0.000 0.000 0.250 150 M C 1.882 178.212 176.300 0.049 0.000 1.075 150 M CA 2.479 57.806 55.300 0.047 0.000 1.072 150 M CB -0.914 31.636 32.600 -0.083 0.000 1.305 150 M HN 0.395 nan 8.290 nan 0.000 0.414 151 G N -1.158 107.670 108.800 0.046 0.000 2.414 151 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.215 151 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.215 151 G C 1.281 176.274 174.900 0.155 0.000 1.188 151 G CA 0.773 45.905 45.100 0.054 0.000 0.783 151 G HN 0.782 nan 8.290 nan 0.000 0.537 152 W N 2.489 123.812 121.300 0.040 0.000 2.290 152 W HA -0.162 4.498 4.660 -0.000 0.000 0.311 152 W C 2.008 178.583 176.519 0.093 0.000 1.238 152 W CA 2.170 59.566 57.345 0.085 0.000 1.255 152 W CB -0.844 28.684 29.460 0.114 0.000 1.145 152 W HN 0.176 nan 8.180 nan 0.000 0.506 153 G N 1.196 110.228 108.800 0.388 0.000 2.434 153 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.214 153 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.214 153 G C 1.789 176.741 174.900 0.087 0.000 1.202 153 G CA 1.508 46.756 45.100 0.248 0.000 0.788 153 G HN 0.313 nan 8.290 nan 0.000 0.539 154 L N -0.048 121.186 121.223 0.018 0.000 1.994 154 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 154 L C 2.672 179.538 176.870 -0.007 0.000 1.071 154 L CA 0.787 55.587 54.840 -0.067 0.000 0.745 154 L CB -0.381 41.553 42.059 -0.209 0.000 0.892 154 L HN 0.209 nan 8.230 nan 0.000 0.431 155 I N -0.685 119.879 120.570 -0.009 0.000 2.657 155 I HA -0.328 3.842 4.170 -0.000 0.000 0.261 155 I C 2.216 178.322 176.117 -0.019 0.000 1.212 155 I CA 0.963 62.254 61.300 -0.016 0.000 1.453 155 I CB -0.152 37.838 38.000 -0.016 0.000 1.092 155 I HN 0.150 nan 8.210 nan 0.000 0.452 156 F N 0.211 120.060 119.950 -0.168 0.000 2.043 156 F HA -0.370 4.157 4.527 -0.000 0.000 0.297 156 F C 2.288 178.017 175.800 -0.118 0.000 1.121 156 F CA 2.285 60.149 58.000 -0.226 0.000 1.199 156 F CB -0.676 38.135 39.000 -0.315 0.000 0.968 156 F HN 0.167 nan 8.300 nan 0.000 0.478 157 Y N 1.789 121.932 120.300 -0.262 0.000 2.089 157 Y HA -0.058 4.491 4.550 -0.000 0.000 0.282 157 Y C -0.673 175.141 175.900 -0.144 0.000 1.139 157 Y CA 1.359 59.276 58.100 -0.305 0.000 1.123 157 Y CB -2.038 36.380 38.460 -0.071 0.000 0.980 157 Y HN 0.020 nan 8.280 nan 0.000 0.493 158 P HA -0.198 nan 4.420 nan 0.000 0.217 158 P C 1.686 178.929 177.300 -0.094 0.000 1.151 158 P CA 2.381 65.417 63.100 -0.107 0.000 0.849 158 P CB -0.579 31.095 31.700 -0.043 0.000 0.787 159 G N -0.437 108.275 108.800 -0.147 0.000 2.450 159 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 159 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 159 G C 1.557 176.374 174.900 -0.138 0.000 1.130 159 G CA 0.674 45.689 45.100 -0.140 0.000 0.760 159 G HN 0.306 nan 8.290 nan 0.000 0.557 160 N N -1.153 117.424 118.700 -0.206 0.000 2.322 160 N HA -0.003 4.737 4.740 -0.000 0.000 0.181 160 N C 1.533 177.026 175.510 -0.028 0.000 1.088 160 N CA -0.335 52.663 53.050 -0.086 0.000 0.885 160 N CB -0.054 38.430 38.487 -0.004 0.000 1.013 160 N HN 0.558 nan 8.380 nan 0.000 0.472 161 W N 3.335 124.426 121.300 -0.348 0.000 2.304 161 W HA -0.128 4.532 4.660 -0.000 0.000 0.315 161 W C -1.234 175.186 176.519 -0.166 0.000 1.233 161 W CA 1.459 58.611 57.345 -0.323 0.000 1.261 161 W CB -0.843 28.419 29.460 -0.330 0.000 1.150 161 W HN 0.064 nan 8.180 nan 0.000 0.494 162 P HA -0.194 nan 4.420 nan 0.000 0.219 162 P C 1.326 178.459 177.300 -0.279 0.000 1.146 162 P CA 2.090 65.039 63.100 -0.252 0.000 0.808 162 P CB -0.242 31.391 31.700 -0.113 0.000 0.779 163 I N -2.042 118.394 120.570 -0.222 0.000 2.368 163 I HA -0.111 4.059 4.170 -0.000 0.000 0.238 163 I C 2.035 177.998 176.117 -0.257 0.000 1.076 163 I CA 0.589 61.745 61.300 -0.239 0.000 1.397 163 I CB -0.742 37.131 38.000 -0.211 0.000 1.141 163 I HN -0.211 nan 8.210 nan 0.000 0.430 164 I N 1.832 122.308 120.570 -0.157 0.000 2.185 164 I HA -0.344 3.826 4.170 -0.000 0.000 0.246 164 I C 2.838 178.794 176.117 -0.269 0.000 1.088 164 I CA 1.793 63.056 61.300 -0.061 0.000 1.347 164 I CB -1.541 36.505 38.000 0.077 0.000 1.041 164 I HN 0.241 nan 8.210 nan 0.000 0.415 165 A N 1.230 123.571 122.820 -0.798 0.000 1.873 165 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 165 A C -0.024 177.340 177.584 -0.365 0.000 1.193 165 A CA 1.946 53.330 52.037 -1.088 0.000 0.629 165 A CB -2.178 15.848 19.000 -1.624 0.000 0.826 165 A HN 0.331 nan 8.150 nan 0.000 0.447 166 P HA -0.032 nan 4.420 nan 0.000 0.236 166 P C 0.815 178.121 177.300 0.009 0.000 1.172 166 P CA 0.639 63.681 63.100 -0.096 0.000 0.759 166 P CB -0.071 31.569 31.700 -0.100 0.000 0.843 167 L N -2.032 119.242 121.223 0.085 0.000 2.592 167 L HA 0.035 4.374 4.340 -0.000 0.000 0.227 167 L C 1.589 178.562 176.870 0.172 0.000 1.127 167 L CA 0.582 55.531 54.840 0.181 0.000 0.884 167 L CB -0.486 41.740 42.059 0.279 0.000 1.065 167 L HN 0.215 nan 8.230 nan 0.000 0.457 168 H N -0.841 118.264 119.070 0.057 0.000 2.672 168 H HA 0.165 4.721 4.556 -0.000 0.000 0.277 168 H C 0.412 175.808 175.328 0.114 0.000 1.074 168 H CA -0.156 55.967 56.048 0.125 0.000 1.173 168 H CB 1.361 31.250 29.762 0.210 0.000 1.558 168 H HN 0.050 nan 8.280 nan 0.000 0.539 169 V N 3.570 123.574 119.914 0.150 0.000 2.585 169 V HA 0.175 4.294 4.120 -0.000 0.000 0.296 169 V C -2.343 173.803 176.094 0.087 0.000 1.035 169 V CA -1.275 61.091 62.300 0.109 0.000 1.084 169 V CB 1.261 33.130 31.823 0.076 0.000 0.953 169 V HN 0.029 nan 8.190 nan 0.000 0.483 170 P HA 0.402 nan 4.420 nan 0.000 0.278 170 P C -0.830 176.512 177.300 0.070 0.000 1.238 170 P CA -0.057 63.087 63.100 0.073 0.000 0.794 170 P CB 1.629 33.374 31.700 0.076 0.000 0.955 171 V N 0.950 120.909 119.914 0.075 0.000 2.888 171 V HA 0.387 4.507 4.120 -0.000 0.000 0.309 171 V C -0.655 175.501 176.094 0.102 0.000 1.114 171 V CA -0.892 61.463 62.300 0.092 0.000 0.940 171 V CB 2.088 33.986 31.823 0.125 0.000 1.021 171 V HN 0.562 nan 8.190 nan 0.000 0.426 172 E N 4.596 124.847 120.200 0.086 0.000 1.996 172 E HA 0.206 4.555 4.350 -0.000 0.000 0.280 172 E C -1.884 174.778 176.600 0.103 0.000 1.092 172 E CA -0.426 56.022 56.400 0.080 0.000 0.862 172 E CB 0.655 30.381 29.700 0.044 0.000 1.066 172 E HN 0.808 nan 8.360 nan 0.000 0.396 173 Y N 4.861 125.162 120.300 0.002 0.000 2.369 173 Y HA 0.146 4.696 4.550 -0.000 0.000 0.337 173 Y C 0.069 175.971 175.900 0.004 0.000 0.961 173 Y CA -0.526 57.580 58.100 0.009 0.000 1.186 173 Y CB 0.504 38.971 38.460 0.011 0.000 1.139 173 Y HN 0.653 nan 8.280 nan 0.000 0.494 174 N N 4.290 122.910 118.700 -0.134 0.000 2.701 174 N HA -0.253 4.487 4.740 -0.000 0.000 0.250 174 N C 0.755 176.283 175.510 0.030 0.000 1.046 174 N CA 1.652 54.673 53.050 -0.048 0.000 0.733 174 N CB -0.961 37.522 38.487 -0.007 0.000 0.973 174 N HN 1.139 nan 8.380 nan 0.000 0.541 175 G N -2.818 106.000 108.800 0.030 0.000 2.176 175 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.232 175 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.232 175 G C -0.040 174.880 174.900 0.033 0.000 0.986 175 G CA 0.289 45.404 45.100 0.025 0.000 0.643 175 G HN 0.328 nan 8.290 nan 0.000 0.522 176 M N 0.325 119.957 119.600 0.053 0.000 2.393 176 M HA 0.560 5.040 4.480 -0.000 0.000 0.316 176 M C -0.157 176.172 176.300 0.048 0.000 1.087 176 M CA -1.007 54.314 55.300 0.035 0.000 0.937 176 M CB 2.108 34.715 32.600 0.011 0.000 1.668 176 M HN 0.102 nan 8.290 nan 0.000 0.438 177 L N 4.378 125.619 121.223 0.030 0.000 2.455 177 L HA 0.341 4.681 4.340 -0.000 0.000 0.272 177 L C -1.017 175.860 176.870 0.011 0.000 1.174 177 L CA 1.275 56.135 54.840 0.033 0.000 0.869 177 L CB 0.093 42.170 42.059 0.030 0.000 1.130 177 L HN 0.695 nan 8.230 nan 0.000 0.474 178 M N 4.171 123.781 119.600 0.016 0.000 2.365 178 M HA 0.288 4.768 4.480 -0.000 0.000 0.287 178 M C -0.225 176.068 176.300 -0.012 0.000 1.154 178 M CA -0.552 54.728 55.300 -0.033 0.000 0.941 178 M CB 2.219 34.760 32.600 -0.099 0.000 1.704 178 M HN 0.675 nan 8.290 nan 0.000 0.479 179 S N 1.843 117.521 115.700 -0.037 0.000 2.614 179 S HA 0.387 4.856 4.470 -0.000 0.000 0.265 179 S C 1.210 175.793 174.600 -0.028 0.000 1.303 179 S CA -0.758 57.420 58.200 -0.036 0.000 1.000 179 S CB 0.756 63.880 63.200 -0.126 0.000 0.935 179 S HN 0.636 nan 8.310 nan 0.000 0.551 180 I N 1.682 122.257 120.570 0.008 0.000 2.091 180 I HA -0.276 3.894 4.170 -0.000 0.000 0.240 180 I C 2.932 179.066 176.117 0.029 0.000 1.046 180 I CA 2.257 63.580 61.300 0.038 0.000 1.306 180 I CB -2.376 35.664 38.000 0.067 0.000 1.018 180 I HN 0.904 nan 8.210 nan 0.000 0.404 181 A N 0.596 123.433 122.820 0.028 0.000 1.859 181 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 181 A C 2.028 179.651 177.584 0.065 0.000 1.198 181 A CA 2.257 54.348 52.037 0.090 0.000 0.629 181 A CB -0.950 18.105 19.000 0.090 0.000 0.830 181 A HN 0.502 nan 8.150 nan 0.000 0.446 182 D N -0.124 120.273 120.400 -0.005 0.000 2.204 182 D HA -0.244 4.396 4.640 -0.000 0.000 0.189 182 D C 1.858 178.128 176.300 -0.050 0.000 1.006 182 D CA 2.078 56.059 54.000 -0.032 0.000 0.855 182 D CB -0.476 40.268 40.800 -0.093 0.000 0.946 182 D HN 0.550 nan 8.370 nan 0.000 0.448 183 I N 1.031 121.542 120.570 -0.098 0.000 2.264 183 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 183 I C 2.728 178.794 176.117 -0.085 0.000 1.111 183 I CA 1.061 62.266 61.300 -0.159 0.000 1.382 183 I CB -0.243 37.660 38.000 -0.162 0.000 1.060 183 I HN 0.057 nan 8.210 nan 0.000 0.418 184 Q N 0.279 120.039 119.800 -0.066 0.000 2.030 184 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 184 Q C 2.281 178.060 176.000 -0.369 0.000 0.986 184 Q CA 1.798 57.496 55.803 -0.176 0.000 0.843 184 Q CB -0.525 28.061 28.738 -0.253 0.000 0.904 184 Q HN 0.640 nan 8.270 nan 0.000 0.420 185 G N -0.938 107.746 108.800 -0.193 0.000 2.679 185 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.212 185 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.212 185 G C 0.976 175.926 174.900 0.083 0.000 1.137 185 G CA 0.155 45.287 45.100 0.054 0.000 0.787 185 G HN 0.412 nan 8.290 nan 0.000 0.534 186 Y N 0.276 120.490 120.300 -0.143 0.000 2.389 186 Y HA 0.157 4.707 4.550 -0.000 0.000 0.292 186 Y C 2.506 178.301 175.900 -0.176 0.000 1.117 186 Y CA 0.810 58.817 58.100 -0.154 0.000 1.195 186 Y CB 0.296 38.612 38.460 -0.240 0.000 1.076 186 Y HN 0.225 nan 8.280 nan 0.000 0.548 187 N N -0.866 117.630 118.700 -0.341 0.000 2.109 187 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 187 N C -0.575 174.611 175.510 -0.539 0.000 1.034 187 N CA 0.632 53.353 53.050 -0.548 0.000 0.846 187 N CB -0.184 37.916 38.487 -0.646 0.000 1.010 187 N HN 0.124 nan 8.380 nan 0.000 0.425 188 Y N 1.740 121.962 120.300 -0.131 0.000 2.636 188 Y HA 0.188 4.738 4.550 -0.000 0.000 0.341 188 Y C -0.085 175.901 175.900 0.144 0.000 1.169 188 Y CA -0.528 57.583 58.100 0.017 0.000 1.498 188 Y CB -0.028 38.503 38.460 0.118 0.000 1.362 188 Y HN -0.187 nan 8.280 nan 0.000 0.494 189 V N 5.429 125.404 119.914 0.102 0.000 2.539 189 V HA -0.137 3.983 4.120 -0.000 0.000 0.294 189 V C 0.341 176.578 176.094 0.238 0.000 0.994 189 V CA 0.385 62.740 62.300 0.091 0.000 1.169 189 V CB -0.577 31.243 31.823 -0.005 0.000 0.898 189 V HN 0.659 nan 8.190 nan 0.000 0.471 190 R N 3.799 124.404 120.500 0.174 0.000 2.843 190 R HA 0.808 5.147 4.340 -0.000 0.000 0.232 190 R C 0.573 176.916 176.300 0.072 0.000 1.305 190 R CA -0.391 55.800 56.100 0.151 0.000 1.096 190 R CB 0.204 30.392 30.300 -0.187 0.000 1.455 190 R HN 0.647 nan 8.270 nan 0.000 0.520 191 T N -3.142 111.451 114.554 0.064 0.000 2.664 191 T HA 0.539 4.889 4.350 -0.000 0.000 0.232 191 T C 1.033 175.754 174.700 0.034 0.000 0.958 191 T CA -0.399 61.729 62.100 0.046 0.000 1.095 191 T CB -0.207 68.691 68.868 0.051 0.000 1.938 191 T HN 0.492 nan 8.240 nan 0.000 0.536 192 G N 0.251 109.074 108.800 0.039 0.000 2.394 192 G HA2 0.330 4.290 3.960 -0.000 0.000 0.256 192 G HA3 0.330 4.290 3.960 -0.000 0.000 0.256 192 G C 1.002 175.935 174.900 0.054 0.000 1.504 192 G CA 0.976 46.102 45.100 0.043 0.000 1.051 192 G HN 1.116 nan 8.290 nan 0.000 0.550 193 T N -3.083 111.503 114.554 0.054 0.000 2.958 193 T HA 0.327 4.677 4.350 -0.000 0.000 0.256 193 T C -0.613 174.131 174.700 0.073 0.000 0.983 193 T CA 0.624 62.761 62.100 0.062 0.000 0.924 193 T CB 0.649 69.547 68.868 0.050 0.000 1.136 193 T HN 0.487 nan 8.240 nan 0.000 0.506 194 P HA 0.418 nan 4.420 nan 0.000 0.344 194 P C 0.411 177.745 177.300 0.056 0.000 1.366 194 P CA -0.040 63.093 63.100 0.054 0.000 1.359 194 P CB 1.002 32.727 31.700 0.042 0.000 1.659 195 E N -1.253 118.992 120.200 0.076 0.000 2.444 195 E HA 0.057 4.407 4.350 -0.000 0.000 0.203 195 E C 0.373 177.043 176.600 0.117 0.000 0.847 195 E CA -0.393 56.048 56.400 0.069 0.000 1.142 195 E CB -0.893 28.825 29.700 0.030 0.000 1.125 195 E HN 0.019 nan 8.360 nan 0.000 0.521 196 Y N 2.316 122.615 120.300 -0.002 0.000 3.062 196 Y HA -0.242 4.308 4.550 -0.000 0.000 0.386 196 Y C 0.243 176.140 175.900 -0.005 0.000 1.114 196 Y CA 1.411 59.507 58.100 -0.006 0.000 1.556 196 Y CB 0.185 38.638 38.460 -0.012 0.000 1.005 196 Y HN 0.441 nan 8.280 nan 0.000 0.571 197 I N 6.694 127.019 120.570 -0.408 0.000 2.458 197 I HA 0.053 4.223 4.170 -0.000 0.000 0.301 197 I C -0.638 175.217 176.117 -0.437 0.000 1.738 197 I CA -0.410 60.700 61.300 -0.317 0.000 0.796 197 I CB -0.267 37.726 38.000 -0.010 0.000 1.779 197 I HN 0.710 nan 8.210 nan 0.000 0.495 198 R N 1.921 121.945 120.500 -0.793 0.000 4.886 198 R HA 0.214 4.554 4.340 -0.000 0.000 0.181 198 R C 0.401 176.547 176.300 -0.257 0.000 1.989 198 R CA 0.562 56.393 56.100 -0.448 0.000 1.623 198 R CB 0.159 30.178 30.300 -0.468 0.000 1.383 198 R HN 0.629 nan 8.270 nan 0.000 0.847 199 M N -1.191 118.306 119.600 -0.171 0.000 3.091 199 M HA 0.108 4.588 4.480 -0.000 0.000 0.175 199 M C 1.546 177.824 176.300 -0.035 0.000 1.971 199 M CA 0.545 55.796 55.300 -0.081 0.000 1.514 199 M CB -0.202 32.368 32.600 -0.051 0.000 1.093 199 M HN 0.032 nan 8.290 nan 0.000 0.602 200 V N 2.430 122.329 119.914 -0.024 0.000 2.351 200 V HA -0.413 3.707 4.120 -0.000 0.000 0.245 200 V C 2.094 178.195 176.094 0.011 0.000 1.059 200 V CA 2.740 65.038 62.300 -0.003 0.000 1.105 200 V CB -1.791 30.028 31.823 -0.006 0.000 0.845 200 V HN 0.805 nan 8.190 nan 0.000 0.477 201 E N -0.165 120.037 120.200 0.004 0.000 2.511 201 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 201 E C 1.564 178.177 176.600 0.021 0.000 1.066 201 E CA 0.898 57.307 56.400 0.015 0.000 0.871 201 E CB -0.103 29.600 29.700 0.006 0.000 0.863 201 E HN 0.602 nan 8.360 nan 0.000 0.520 202 K N 0.363 120.772 120.400 0.014 0.000 2.329 202 K HA 0.217 4.537 4.320 -0.000 0.000 0.198 202 K C 1.937 178.565 176.600 0.047 0.000 1.085 202 K CA 0.933 57.231 56.287 0.019 0.000 0.961 202 K CB -0.618 31.876 32.500 -0.011 0.000 0.971 202 K HN 0.198 nan 8.250 nan 0.000 0.502 203 G N 1.048 109.879 108.800 0.051 0.000 2.736 203 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.214 203 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.214 203 G C 1.411 176.385 174.900 0.123 0.000 1.327 203 G CA 1.534 46.683 45.100 0.082 0.000 0.818 203 G HN 0.272 nan 8.290 nan 0.000 0.611 204 T N -0.405 114.224 114.554 0.124 0.000 3.028 204 T HA 0.235 4.585 4.350 -0.000 0.000 0.181 204 T C 2.081 176.862 174.700 0.136 0.000 0.687 204 T CA 0.091 62.308 62.100 0.196 0.000 2.364 204 T CB -0.564 68.416 68.868 0.187 0.000 2.516 204 T HN 0.136 nan 8.240 nan 0.000 0.365 205 L N 0.721 122.007 121.223 0.104 0.000 2.318 205 L HA -0.299 4.041 4.340 -0.000 0.000 0.240 205 L C 1.801 178.722 176.870 0.084 0.000 1.135 205 L CA 1.805 56.701 54.840 0.093 0.000 0.850 205 L CB -0.255 41.833 42.059 0.049 0.000 0.970 205 L HN 0.240 nan 8.230 nan 0.000 0.442 206 R N -0.147 120.381 120.500 0.047 0.000 4.739 206 R HA -0.002 4.338 4.340 -0.000 0.000 0.203 206 R C 0.473 176.767 176.300 -0.010 0.000 2.125 206 R CA 1.091 57.203 56.100 0.019 0.000 1.743 206 R CB -0.779 29.527 30.300 0.010 0.000 1.271 206 R HN 0.534 nan 8.270 nan 0.000 0.746 207 T N -1.981 112.560 114.554 -0.022 0.000 3.321 207 T HA 0.148 4.498 4.350 -0.000 0.000 0.251 207 T C 0.354 174.913 174.700 -0.235 0.000 0.999 207 T CA -0.102 61.878 62.100 -0.201 0.000 1.186 207 T CB -0.134 68.551 68.868 -0.305 0.000 1.163 207 T HN 0.118 nan 8.240 nan 0.000 0.399 208 F N 2.563 122.497 119.950 -0.027 0.000 2.859 208 F HA 0.544 5.071 4.527 -0.000 0.000 0.315 208 F C 1.536 177.315 175.800 -0.035 0.000 1.207 208 F CA -0.414 57.561 58.000 -0.042 0.000 1.370 208 F CB 0.039 39.010 39.000 -0.048 0.000 1.314 208 F HN 0.417 nan 8.300 nan 0.000 0.555 209 G N -0.908 107.911 108.800 0.033 0.000 2.529 209 G HA2 -0.034 3.925 3.960 -0.000 0.000 0.174 209 G HA3 -0.034 3.925 3.960 -0.000 0.000 0.174 209 G C 1.383 176.268 174.900 -0.025 0.000 1.373 209 G CA -0.121 44.988 45.100 0.014 0.000 0.820 209 G HN 0.166 nan 8.290 nan 0.000 0.962 210 K N 1.936 122.300 120.400 -0.060 0.000 2.017 210 K HA 0.030 4.350 4.320 -0.000 0.000 0.207 210 K C 0.632 177.167 176.600 -0.108 0.000 1.035 210 K CA 1.304 57.548 56.287 -0.071 0.000 0.947 210 K CB -0.491 31.961 32.500 -0.081 0.000 0.749 210 K HN 0.182 nan 8.250 nan 0.000 0.443 211 D N 1.380 121.661 120.400 -0.199 0.000 2.517 211 D HA 0.123 4.762 4.640 -0.000 0.000 0.220 211 D C -1.234 174.938 176.300 -0.214 0.000 1.158 211 D CA -0.379 53.470 54.000 -0.252 0.000 0.992 211 D CB 0.228 40.796 40.800 -0.387 0.000 1.058 211 D HN -0.060 nan 8.370 nan 0.000 0.516 212 V N 2.556 122.415 119.914 -0.092 0.000 2.318 212 V HA 0.644 4.764 4.120 -0.000 0.000 0.271 212 V C 0.635 176.680 176.094 -0.082 0.000 1.030 212 V CA -0.255 62.009 62.300 -0.060 0.000 0.844 212 V CB 0.690 32.508 31.823 -0.009 0.000 1.015 212 V HN 0.688 nan 8.190 nan 0.000 0.460 213 A N 5.483 128.235 122.820 -0.113 0.000 3.019 213 A HA 0.593 4.913 4.320 -0.000 0.000 0.202 213 A C -1.725 175.811 177.584 -0.079 0.000 0.924 213 A CA -0.847 51.142 52.037 -0.081 0.000 1.156 213 A CB -0.289 18.666 19.000 -0.075 0.000 1.265 213 A HN 0.692 nan 8.150 nan 0.000 0.526 214 P HA -0.168 nan 4.420 nan 0.000 0.299 214 P C 0.937 178.188 177.300 -0.081 0.000 1.964 214 P CA 1.233 64.239 63.100 -0.156 0.000 1.758 214 P CB 0.434 32.000 31.700 -0.224 0.000 0.256 215 V N -3.806 116.060 119.914 -0.080 0.000 4.033 215 V HA -0.041 4.079 4.120 -0.000 0.000 0.166 215 V C 1.585 177.661 176.094 -0.030 0.000 1.446 215 V CA 0.978 63.254 62.300 -0.039 0.000 1.045 215 V CB -0.362 31.453 31.823 -0.013 0.000 1.088 215 V HN 0.560 nan 8.190 nan 0.000 0.585 216 S N 0.693 116.377 115.700 -0.026 0.000 2.593 216 S HA 0.327 4.797 4.470 -0.000 0.000 0.217 216 S C 0.912 175.499 174.600 -0.022 0.000 0.966 216 S CA 0.605 58.780 58.200 -0.041 0.000 0.914 216 S CB -0.349 62.843 63.200 -0.014 0.000 0.776 216 S HN 0.722 nan 8.310 nan 0.000 0.523 217 A N 1.159 123.990 122.820 0.018 0.000 2.524 217 A HA 0.429 4.749 4.320 -0.000 0.000 0.250 217 A C 0.482 178.129 177.584 0.104 0.000 1.078 217 A CA -0.209 51.881 52.037 0.088 0.000 0.761 217 A CB -0.312 18.739 19.000 0.086 0.000 1.012 217 A HN 0.477 nan 8.150 nan 0.000 0.500 218 F N 1.910 121.917 119.950 0.095 0.000 1.987 218 F HA 0.145 4.672 4.527 -0.000 0.000 0.299 218 F C 1.386 177.316 175.800 0.215 0.000 1.451 218 F CA 1.880 59.951 58.000 0.119 0.000 1.167 218 F CB -0.336 38.719 39.000 0.093 0.000 0.932 218 F HN 0.690 nan 8.300 nan 0.000 0.518 219 F N 0.428 120.595 119.950 0.361 0.000 3.059 219 F HA -0.291 4.236 4.527 -0.000 0.000 0.290 219 F C 0.690 176.622 175.800 0.220 0.000 0.786 219 F CA 0.212 58.349 58.000 0.228 0.000 1.060 219 F CB -1.966 37.122 39.000 0.148 0.000 1.327 219 F HN 0.067 nan 8.300 nan 0.000 0.409 220 S N 0.285 116.248 115.700 0.439 0.000 2.611 220 S HA 0.463 4.933 4.470 -0.000 0.000 0.317 220 S C 1.238 176.047 174.600 0.348 0.000 1.208 220 S CA -0.062 58.346 58.200 0.346 0.000 1.217 220 S CB 1.098 64.457 63.200 0.264 0.000 1.085 220 S HN 0.748 nan 8.310 nan 0.000 0.529 221 A N 3.228 126.250 122.820 0.336 0.000 2.258 221 A HA 0.109 4.429 4.320 -0.000 0.000 0.206 221 A C 0.938 178.620 177.584 0.163 0.000 1.222 221 A CA -0.285 51.907 52.037 0.259 0.000 0.822 221 A CB -1.098 18.145 19.000 0.405 0.000 0.804 221 A HN 0.990 nan 8.150 nan 0.000 0.483 222 F N 0.072 120.031 119.950 0.015 0.000 2.496 222 F HA -0.133 4.394 4.527 -0.000 0.000 0.287 222 F C 0.756 176.560 175.800 0.007 0.000 1.300 222 F CA 0.388 58.382 58.000 -0.010 0.000 1.508 222 F CB -0.542 38.461 39.000 0.005 0.000 1.120 222 F HN 0.330 nan 8.300 nan 0.000 0.640 223 M N 2.088 121.619 119.600 -0.116 0.000 2.201 223 M HA 0.130 4.610 4.480 -0.000 0.000 0.345 223 M C 0.279 176.463 176.300 -0.192 0.000 1.352 223 M CA 0.009 55.190 55.300 -0.198 0.000 1.218 223 M CB 0.248 32.792 32.600 -0.094 0.000 1.512 223 M HN 0.216 nan 8.290 nan 0.000 0.447 224 S N 5.336 120.875 115.700 -0.267 0.000 2.422 224 S HA 0.167 4.637 4.470 -0.000 0.000 0.226 224 S C 0.817 175.333 174.600 -0.140 0.000 1.242 224 S CA -0.773 57.314 58.200 -0.188 0.000 1.231 224 S CB 0.017 63.099 63.200 -0.197 0.000 1.067 224 S HN 0.871 nan 8.310 nan 0.000 0.462 225 I N 0.943 121.443 120.570 -0.117 0.000 3.001 225 I HA 0.209 4.379 4.170 -0.000 0.000 0.268 225 I C 0.302 176.448 176.117 0.049 0.000 1.267 225 I CA 0.615 61.900 61.300 -0.025 0.000 1.472 225 I CB -0.238 37.757 38.000 -0.009 0.000 1.089 225 I HN 0.512 nan 8.210 nan 0.000 0.468 226 L N 1.221 122.435 121.223 -0.016 0.000 2.934 226 L HA 0.215 4.555 4.340 -0.000 0.000 0.233 226 L C 0.751 177.656 176.870 0.057 0.000 1.358 226 L CA 0.269 55.135 54.840 0.044 0.000 1.233 226 L CB -0.005 41.993 42.059 -0.102 0.000 1.594 226 L HN 0.098 nan 8.230 nan 0.000 0.439 227 I N -0.739 119.882 120.570 0.085 0.000 3.176 227 I HA 0.010 4.180 4.170 -0.000 0.000 0.339 227 I C 0.507 176.740 176.117 0.193 0.000 1.505 227 I CA -0.124 61.235 61.300 0.098 0.000 0.969 227 I CB 0.382 38.367 38.000 -0.026 0.000 1.636 227 I HN 0.314 nan 8.210 nan 0.000 0.523 228 Y N 1.235 121.627 120.300 0.153 0.000 2.266 228 Y HA -0.006 4.544 4.550 -0.000 0.000 0.294 228 Y C 1.612 177.725 175.900 0.355 0.000 1.127 228 Y CA 1.091 59.346 58.100 0.258 0.000 1.140 228 Y CB -0.580 38.011 38.460 0.219 0.000 1.071 228 Y HN 0.320 nan 8.280 nan 0.000 0.525 229 F N 0.372 120.638 119.950 0.526 0.000 2.257 229 F HA -0.363 4.164 4.527 -0.000 0.000 0.302 229 F C 2.436 178.382 175.800 0.244 0.000 1.056 229 F CA 1.137 59.301 58.000 0.274 0.000 1.353 229 F CB -0.037 39.001 39.000 0.064 0.000 1.064 229 F HN 0.212 nan 8.300 nan 0.000 0.520 230 M N 0.427 120.307 119.600 0.467 0.000 2.200 230 M HA -0.325 4.155 4.480 -0.000 0.000 0.261 230 M C 1.899 178.471 176.300 0.453 0.000 1.074 230 M CA 1.878 57.365 55.300 0.313 0.000 1.098 230 M CB -1.706 30.995 32.600 0.168 0.000 1.268 230 M HN 0.467 nan 8.290 nan 0.000 0.432 231 W N 2.192 123.619 121.300 0.212 0.000 2.445 231 W HA -0.255 4.405 4.660 -0.000 0.000 0.290 231 W C 0.648 177.195 176.519 0.047 0.000 1.145 231 W CA 1.294 58.709 57.345 0.115 0.000 1.106 231 W CB -1.422 27.967 29.460 -0.118 0.000 1.141 231 W HN 0.433 nan 8.180 nan 0.000 0.549 232 H N 0.154 119.484 119.070 0.433 0.000 2.794 232 H HA -0.033 4.523 4.556 -0.000 0.000 0.256 232 H C 1.336 176.859 175.328 0.327 0.000 1.637 232 H CA 0.556 56.774 56.048 0.284 0.000 1.222 232 H CB -0.950 28.907 29.762 0.158 0.000 1.545 232 H HN 0.130 nan 8.280 nan 0.000 0.518 233 F N 0.266 120.332 119.950 0.194 0.000 2.270 233 F HA 0.012 4.539 4.527 -0.000 0.000 0.295 233 F C 1.749 177.662 175.800 0.188 0.000 1.087 233 F CA 0.565 58.680 58.000 0.192 0.000 1.365 233 F CB -0.308 38.792 39.000 0.167 0.000 1.056 233 F HN 0.151 nan 8.300 nan 0.000 0.506 234 I N 0.314 120.564 120.570 -0.534 0.000 2.439 234 I HA -0.061 4.109 4.170 -0.000 0.000 0.251 234 I C 2.477 178.455 176.117 -0.232 0.000 1.139 234 I CA 1.257 62.160 61.300 -0.663 0.000 1.438 234 I CB -0.717 36.932 38.000 -0.585 0.000 1.085 234 I HN 0.342 nan 8.210 nan 0.000 0.427 235 G N 0.387 109.162 108.800 -0.041 0.000 2.394 235 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.214 235 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.214 235 G C 1.655 176.683 174.900 0.214 0.000 1.176 235 G CA 0.372 45.661 45.100 0.317 0.000 0.786 235 G HN 0.162 nan 8.290 nan 0.000 0.533 236 R N 0.689 121.342 120.500 0.254 0.000 2.147 236 R HA -0.163 4.177 4.340 -0.000 0.000 0.225 236 R C 2.190 178.659 176.300 0.282 0.000 1.120 236 R CA 1.723 57.994 56.100 0.285 0.000 0.891 236 R CB -1.550 28.971 30.300 0.367 0.000 0.822 236 R HN 0.505 nan 8.270 nan 0.000 0.433 237 W N 1.465 122.813 121.300 0.080 0.000 2.782 237 W HA -0.193 4.467 4.660 -0.000 0.000 0.248 237 W C 0.858 177.454 176.519 0.127 0.000 1.265 237 W CA 0.178 57.586 57.345 0.106 0.000 1.316 237 W CB -0.303 29.295 29.460 0.230 0.000 1.140 237 W HN 0.204 nan 8.180 nan 0.000 0.665 238 F N 2.394 122.244 119.950 -0.167 0.000 2.031 238 F HA -0.205 4.322 4.527 -0.000 0.000 0.295 238 F C 2.799 178.543 175.800 -0.094 0.000 1.133 238 F CA 2.445 60.323 58.000 -0.203 0.000 1.188 238 F CB -1.280 37.652 39.000 -0.112 0.000 0.974 238 F HN -0.071 nan 8.300 nan 0.000 0.473 239 S N 0.333 116.268 115.700 0.391 0.000 2.441 239 S HA -0.398 4.072 4.470 -0.000 0.000 0.249 239 S C 2.139 176.897 174.600 0.263 0.000 1.097 239 S CA 2.186 60.530 58.200 0.240 0.000 1.080 239 S CB -1.133 62.154 63.200 0.144 0.000 0.914 239 S HN 0.759 nan 8.310 nan 0.000 0.464 240 N N -0.067 118.806 118.700 0.289 0.000 2.220 240 N HA -0.038 4.702 4.740 -0.000 0.000 0.182 240 N C 1.758 177.450 175.510 0.304 0.000 1.023 240 N CA 0.998 54.220 53.050 0.287 0.000 0.856 240 N CB -0.279 38.441 38.487 0.389 0.000 0.997 240 N HN 0.562 nan 8.380 nan 0.000 0.429 241 E N 0.970 121.179 120.200 0.015 0.000 2.333 241 E HA -0.226 4.124 4.350 -0.000 0.000 0.200 241 E C 2.019 178.645 176.600 0.044 0.000 1.010 241 E CA 0.399 56.772 56.400 -0.044 0.000 0.841 241 E CB -0.021 29.426 29.700 -0.421 0.000 0.757 241 E HN 0.278 nan 8.360 nan 0.000 0.508 242 R N 1.239 121.858 120.500 0.198 0.000 2.122 242 R HA -0.195 4.145 4.340 -0.000 0.000 0.236 242 R C 1.073 177.434 176.300 0.102 0.000 1.129 242 R CA 1.263 57.508 56.100 0.243 0.000 0.925 242 R CB -1.008 29.475 30.300 0.304 0.000 0.850 242 R HN 0.157 nan 8.270 nan 0.000 0.431 243 F N 2.699 122.632 119.950 -0.029 0.000 2.657 243 F HA -0.041 4.486 4.527 -0.000 0.000 0.354 243 F C 0.940 176.718 175.800 -0.036 0.000 1.148 243 F CA -0.637 57.317 58.000 -0.077 0.000 1.368 243 F CB 0.028 38.958 39.000 -0.116 0.000 1.036 243 F HN 0.150 nan 8.300 nan 0.000 0.619 244 L N 0.000 120.500 121.223 -1.205 0.000 2.949 244 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 244 L CA 0.000 54.253 54.840 -0.978 0.000 0.813 244 L CB 0.000 41.677 42.059 -0.637 0.000 0.961 244 L HN 0.000 nan 8.230 nan 0.000 0.502