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 1bmk_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGHRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLA QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPPL DATA SEQUENCE D 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 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.641 176.600 0.068 0.000 1.382 4 E CA 0.000 56.431 56.400 0.052 0.000 0.976 4 E CB 0.000 29.724 29.700 0.039 0.000 0.812 5 R N 1.863 122.422 120.500 0.100 0.000 2.652 5 R HA 0.624 4.966 4.340 0.004 0.000 0.272 5 R C -1.493 174.887 176.300 0.134 0.000 1.162 5 R CA -1.149 55.039 56.100 0.146 0.000 1.199 5 R CB -0.270 30.176 30.300 0.244 0.000 1.166 5 R HN 0.227 nan 8.270 nan 0.000 0.597 6 P HA 0.120 nan 4.420 nan 0.000 0.289 6 P C -0.666 176.703 177.300 0.115 0.000 1.299 6 P CA -0.471 62.640 63.100 0.018 0.000 0.766 6 P CB 0.429 32.036 31.700 -0.155 0.000 1.226 7 T N 0.545 115.122 114.554 0.039 0.000 2.806 7 T HA 0.424 4.777 4.350 0.004 0.000 0.290 7 T C -0.204 174.565 174.700 0.115 0.000 0.966 7 T CA 0.205 62.388 62.100 0.139 0.000 1.060 7 T CB -0.229 68.684 68.868 0.075 0.000 0.927 7 T HN 0.098 nan 8.240 nan 0.000 0.485 8 F N 2.378 122.343 119.950 0.026 0.000 2.440 8 F HA 0.592 5.121 4.527 0.003 0.000 0.328 8 F C -0.067 175.813 175.800 0.133 0.000 1.070 8 F CA -1.314 56.697 58.000 0.020 0.000 1.011 8 F CB 1.125 40.104 39.000 -0.035 0.000 1.226 8 F HN 0.569 nan 8.300 nan 0.000 0.491 9 Y N -0.402 119.994 120.300 0.161 0.000 2.386 9 Y HA 0.682 5.234 4.550 0.002 0.000 0.334 9 Y C -0.499 175.486 175.900 0.142 0.000 1.002 9 Y CA -1.485 56.685 58.100 0.117 0.000 1.068 9 Y CB 0.952 39.447 38.460 0.059 0.000 1.203 9 Y HN 0.559 nan 8.280 nan 0.000 0.443 10 R N 2.718 123.318 120.500 0.166 0.000 2.637 10 R HA 0.425 4.768 4.340 0.004 0.000 0.269 10 R C -1.017 175.366 176.300 0.138 0.000 1.089 10 R CA -0.320 55.847 56.100 0.112 0.000 1.177 10 R CB 0.891 31.266 30.300 0.126 0.000 1.091 10 R HN 0.973 nan 8.270 nan 0.000 0.540 11 Q N 0.884 120.766 119.800 0.137 0.000 2.774 11 Q HA 0.033 4.375 4.340 0.004 0.000 0.232 11 Q C -1.985 174.119 176.000 0.173 0.000 0.985 11 Q CA -0.563 55.331 55.803 0.151 0.000 1.058 11 Q CB 1.058 29.887 28.738 0.151 0.000 1.789 11 Q HN 0.605 nan 8.270 nan 0.000 0.487 12 E N 5.078 125.362 120.200 0.141 0.000 2.146 12 E HA 0.451 4.804 4.350 0.004 0.000 0.282 12 E C -1.226 175.437 176.600 0.106 0.000 0.989 12 E CA -0.444 56.047 56.400 0.151 0.000 0.799 12 E CB 0.884 30.651 29.700 0.113 0.000 1.088 12 E HN 0.596 nan 8.360 nan 0.000 0.397 13 L N 3.980 125.274 121.223 0.119 0.000 2.362 13 L HA 0.316 4.658 4.340 0.004 0.000 0.275 13 L C -0.213 176.701 176.870 0.073 0.000 0.998 13 L CA -1.136 53.714 54.840 0.017 0.000 0.820 13 L CB 1.576 43.528 42.059 -0.177 0.000 1.270 13 L HN 0.583 nan 8.230 nan 0.000 0.415 14 N N 3.013 121.737 118.700 0.040 0.000 2.700 14 N HA -0.229 4.514 4.740 0.004 0.000 0.265 14 N C -0.015 175.542 175.510 0.078 0.000 0.975 14 N CA 0.847 53.926 53.050 0.049 0.000 0.800 14 N CB -0.957 37.552 38.487 0.038 0.000 0.908 14 N HN 0.658 nan 8.380 nan 0.000 0.551 15 K N -2.989 117.457 120.400 0.076 0.000 3.069 15 K HA -0.216 4.106 4.320 0.004 0.000 0.267 15 K C -0.783 175.877 176.600 0.100 0.000 1.082 15 K CA 1.469 57.800 56.287 0.073 0.000 0.782 15 K CB -1.784 30.743 32.500 0.046 0.000 1.230 15 K HN 0.567 nan 8.250 nan 0.000 0.488 16 T N 0.496 115.155 114.554 0.176 0.000 2.916 16 T HA 0.484 4.837 4.350 0.004 0.000 0.298 16 T C -0.170 174.731 174.700 0.335 0.000 1.031 16 T CA -0.891 61.344 62.100 0.225 0.000 0.993 16 T CB 1.869 70.967 68.868 0.383 0.000 1.045 16 T HN -0.027 nan 8.240 nan 0.000 0.454 17 I N 2.376 123.058 120.570 0.187 0.000 2.365 17 I HA 0.358 4.531 4.170 0.004 0.000 0.291 17 I C -0.898 175.360 176.117 0.236 0.000 1.004 17 I CA -1.230 60.204 61.300 0.224 0.000 1.311 17 I CB 0.740 38.808 38.000 0.113 0.000 1.401 17 I HN 0.717 nan 8.210 nan 0.000 0.491 18 W N 4.874 126.239 121.300 0.107 0.000 2.499 18 W HA 0.424 5.088 4.660 0.008 0.000 0.320 18 W C 0.154 176.684 176.519 0.019 0.000 1.010 18 W CA -0.555 56.886 57.345 0.160 0.000 1.267 18 W CB 0.951 30.476 29.460 0.108 0.000 1.316 18 W HN 0.417 nan 8.180 nan 0.000 0.431 19 E N 2.920 123.233 120.200 0.189 0.000 2.035 19 E HA 0.422 4.775 4.350 0.004 0.000 0.271 19 E C -0.689 175.929 176.600 0.030 0.000 0.953 19 E CA -0.447 56.015 56.400 0.103 0.000 0.777 19 E CB 0.953 30.749 29.700 0.160 0.000 1.104 19 E HN 0.335 nan 8.360 nan 0.000 0.408 20 V N 1.476 121.287 119.914 -0.171 0.000 2.962 20 V HA 0.687 4.810 4.120 0.004 0.000 0.313 20 V C -2.798 172.906 176.094 -0.649 0.000 1.099 20 V CA -3.016 59.005 62.300 -0.464 0.000 0.971 20 V CB 1.804 33.474 31.823 -0.255 0.000 1.028 20 V HN 0.385 nan 8.190 nan 0.000 0.430 21 P HA 0.168 nan 4.420 nan 0.000 0.268 21 P C 0.636 177.791 177.300 -0.242 0.000 1.208 21 P CA 0.190 62.770 63.100 -0.866 0.000 0.777 21 P CB 0.393 31.500 31.700 -0.988 0.000 0.875 22 E N 2.336 122.480 120.200 -0.094 0.000 2.219 22 E HA -0.276 4.076 4.350 0.004 0.000 0.198 22 E C 1.758 178.292 176.600 -0.109 0.000 0.998 22 E CA 1.002 57.405 56.400 0.005 0.000 0.818 22 E CB -0.330 29.319 29.700 -0.084 0.000 0.741 22 E HN 0.527 nan 8.360 nan 0.000 0.477 23 R N 0.761 121.069 120.500 -0.320 0.000 2.159 23 R HA -0.144 4.199 4.340 0.004 0.000 0.237 23 R C 0.253 176.264 176.300 -0.482 0.000 1.131 23 R CA 0.991 56.812 56.100 -0.466 0.000 0.982 23 R CB -0.625 29.258 30.300 -0.695 0.000 0.868 23 R HN 0.179 nan 8.270 nan 0.000 0.453 24 Y N 2.196 122.467 120.300 -0.049 0.000 2.425 24 Y HA 0.264 4.816 4.550 0.003 0.000 0.347 24 Y C 0.305 176.289 175.900 0.140 0.000 0.976 24 Y CA -0.869 57.237 58.100 0.010 0.000 1.190 24 Y CB 0.916 39.367 38.460 -0.016 0.000 1.136 24 Y HN -0.013 nan 8.280 nan 0.000 0.517 25 Q N 2.115 122.065 119.800 0.250 0.000 2.351 25 Q HA 0.306 4.649 4.340 0.004 0.000 0.273 25 Q C -0.337 175.792 176.000 0.216 0.000 1.077 25 Q CA -0.987 54.953 55.803 0.229 0.000 0.843 25 Q CB 1.828 30.665 28.738 0.165 0.000 1.367 25 Q HN 0.721 nan 8.270 nan 0.000 0.449 26 N N 0.351 119.144 118.700 0.156 0.000 2.708 26 N HA -0.194 4.549 4.740 0.004 0.000 0.255 26 N C -0.960 174.597 175.510 0.079 0.000 1.046 26 N CA 0.346 53.457 53.050 0.102 0.000 0.715 26 N CB -1.396 37.146 38.487 0.091 0.000 0.895 26 N HN 0.391 nan 8.380 nan 0.000 0.545 27 L N 0.805 122.062 121.223 0.056 0.000 2.416 27 L HA 0.301 4.644 4.340 0.004 0.000 0.272 27 L C 0.610 177.420 176.870 -0.100 0.000 1.161 27 L CA 0.530 55.340 54.840 -0.050 0.000 0.845 27 L CB 1.019 42.996 42.059 -0.137 0.000 1.119 27 L HN 0.424 nan 8.230 nan 0.000 0.464 28 S N 2.986 118.607 115.700 -0.132 0.000 2.649 28 S HA 0.555 5.028 4.470 0.004 0.000 0.274 28 S C -2.825 171.693 174.600 -0.137 0.000 1.176 28 S CA -1.500 56.630 58.200 -0.117 0.000 0.988 28 S CB 1.397 64.566 63.200 -0.051 0.000 1.071 28 S HN 0.252 nan 8.310 nan 0.000 0.478 29 P HA 0.002 nan 4.420 nan 0.000 0.265 29 P C 0.022 177.286 177.300 -0.059 0.000 1.167 29 P CA 0.084 63.114 63.100 -0.117 0.000 0.760 29 P CB 0.496 32.150 31.700 -0.077 0.000 0.783 30 V N 2.089 121.982 119.914 -0.035 0.000 3.047 30 V HA 0.532 4.655 4.120 0.004 0.000 0.374 30 V C 0.278 176.378 176.094 0.011 0.000 1.399 30 V CA 0.919 63.215 62.300 -0.006 0.000 1.251 30 V CB -0.218 31.606 31.823 0.002 0.000 1.228 30 V HN 0.951 nan 8.190 nan 0.000 0.589 31 G N 0.786 109.591 108.800 0.008 0.000 2.396 31 G HA2 0.362 4.325 3.960 0.004 0.000 0.254 31 G HA3 0.362 4.325 3.960 0.004 0.000 0.254 31 G C -0.258 174.647 174.900 0.009 0.000 1.248 31 G CA 0.050 45.159 45.100 0.016 0.000 1.033 31 G HN 2.067 nan 8.290 nan 0.000 0.502 32 S N -2.053 113.639 115.700 -0.013 0.000 2.718 32 S HA 0.764 5.237 4.470 0.004 0.000 0.271 32 S C -0.239 174.261 174.600 -0.166 0.000 0.999 32 S CA 0.524 58.665 58.200 -0.099 0.000 0.899 32 S CB 0.789 63.953 63.200 -0.060 0.000 1.148 32 S HN 2.823 nan 8.310 nan 0.000 0.463 33 G N -0.260 108.271 108.800 -0.449 0.000 2.766 33 G HA2 0.798 4.760 3.960 0.004 0.000 0.288 33 G HA3 0.798 4.760 3.960 0.004 0.000 0.288 33 G C 0.639 175.336 174.900 -0.337 0.000 1.408 33 G CA -0.103 44.766 45.100 -0.385 0.000 0.852 33 G HN 1.643 nan 8.290 nan 0.000 0.487 34 A N -1.117 121.683 122.820 -0.034 0.000 2.216 34 A HA 0.145 4.468 4.320 0.004 0.000 0.214 34 A C 1.638 179.221 177.584 -0.001 0.000 1.160 34 A CA 1.884 53.919 52.037 -0.003 0.000 0.725 34 A CB -0.741 18.303 19.000 0.074 0.000 0.784 34 A HN 1.002 nan 8.150 nan 0.000 0.472 35 Y N -3.034 117.249 120.300 -0.028 0.000 2.441 35 Y HA 0.531 5.085 4.550 0.006 0.000 0.288 35 Y C 0.840 176.696 175.900 -0.073 0.000 1.118 35 Y CA -0.135 57.938 58.100 -0.044 0.000 1.215 35 Y CB -0.178 38.256 38.460 -0.043 0.000 1.118 35 Y HN 0.172 nan 8.280 nan 0.000 0.547 36 G N 0.194 108.395 108.800 -0.997 0.000 2.768 36 G HA2 0.365 4.328 3.960 0.004 0.000 0.297 36 G HA3 0.365 4.328 3.960 0.004 0.000 0.297 36 G C -1.714 172.901 174.900 -0.476 0.000 1.430 36 G CA -0.747 44.010 45.100 -0.572 0.000 1.030 36 G HN 0.070 nan 8.290 nan 0.000 0.553 37 S N -0.194 115.358 115.700 -0.248 0.000 2.523 37 S HA 0.568 5.041 4.470 0.004 0.000 0.275 37 S C 0.191 174.901 174.600 0.184 0.000 1.281 37 S CA -0.333 57.855 58.200 -0.020 0.000 1.050 37 S CB 0.742 63.988 63.200 0.076 0.000 0.937 37 S HN 0.604 nan 8.310 nan 0.000 0.492 38 V N 4.778 124.803 119.914 0.185 0.000 2.540 38 V HA 0.507 4.629 4.120 0.004 0.000 0.302 38 V C -0.141 176.001 176.094 0.080 0.000 1.035 38 V CA -0.771 61.651 62.300 0.203 0.000 0.873 38 V CB 1.519 33.397 31.823 0.092 0.000 0.992 38 V HN 0.951 nan 8.190 nan 0.000 0.428 39 C N 3.389 122.679 119.300 -0.018 0.000 2.561 39 C HA 0.910 5.372 4.460 0.004 0.000 0.319 39 C C 0.632 175.562 174.990 -0.100 0.000 1.198 39 C CA -0.481 58.384 59.018 -0.255 0.000 1.665 39 C CB 1.455 28.743 27.740 -0.753 0.000 2.258 39 C HN 1.045 nan 8.230 nan 0.000 0.493 40 A N 1.945 124.718 122.820 -0.078 0.000 2.282 40 A HA 0.992 5.314 4.320 0.004 0.000 0.319 40 A C -0.310 177.281 177.584 0.012 0.000 1.121 40 A CA 0.170 52.205 52.037 -0.004 0.000 0.836 40 A CB 0.907 19.916 19.000 0.016 0.000 1.146 40 A HN 1.851 nan 8.150 nan 0.000 0.494 41 A N -0.334 122.535 122.820 0.083 0.000 2.544 41 A HA 0.571 4.893 4.320 0.004 0.000 0.291 41 A C -1.617 176.115 177.584 0.246 0.000 1.055 41 A CA -0.492 51.634 52.037 0.149 0.000 0.651 41 A CB 0.300 19.385 19.000 0.142 0.000 1.296 41 A HN 1.689 nan 8.150 nan 0.000 0.431 42 F N 1.428 121.449 119.950 0.119 0.000 2.415 42 F HA 0.598 5.127 4.527 0.004 0.000 0.348 42 F C -0.221 175.663 175.800 0.140 0.000 1.119 42 F CA -0.799 57.268 58.000 0.110 0.000 1.069 42 F CB 1.342 40.378 39.000 0.060 0.000 1.124 42 F HN 0.574 nan 8.300 nan 0.000 0.472 43 D N 3.746 123.788 120.400 -0.596 0.000 2.396 43 D HA 0.131 4.774 4.640 0.004 0.000 0.225 43 D C 1.028 176.768 176.300 -0.933 0.000 1.121 43 D CA -0.108 53.593 54.000 -0.498 0.000 0.853 43 D CB 1.154 41.867 40.800 -0.145 0.000 1.043 43 D HN 0.639 nan 8.370 nan 0.000 0.500 44 T N 1.238 115.394 114.554 -0.664 0.000 3.007 44 T HA -0.144 4.208 4.350 0.004 0.000 0.270 44 T C 1.629 176.151 174.700 -0.298 0.000 1.107 44 T CA 0.716 62.566 62.100 -0.416 0.000 1.118 44 T CB 0.017 68.809 68.868 -0.126 0.000 0.889 44 T HN 0.178 nan 8.240 nan 0.000 0.506 45 K N 1.621 121.826 120.400 -0.325 0.000 2.116 45 K HA 0.013 4.336 4.320 0.004 0.000 0.203 45 K C 2.521 179.010 176.600 -0.186 0.000 1.052 45 K CA 1.698 57.854 56.287 -0.219 0.000 0.952 45 K CB -0.490 31.881 32.500 -0.214 0.000 0.729 45 K HN 0.610 nan 8.250 nan 0.000 0.446 46 T N -5.057 109.355 114.554 -0.236 0.000 3.042 46 T HA 0.247 4.599 4.350 0.004 0.000 0.245 46 T C 1.438 175.894 174.700 -0.407 0.000 1.029 46 T CA 0.602 62.548 62.100 -0.256 0.000 1.120 46 T CB 0.373 69.158 68.868 -0.139 0.000 0.917 46 T HN 0.245 nan 8.240 nan 0.000 0.467 47 G N 0.869 109.418 108.800 -0.418 0.000 2.179 47 G HA2 -0.163 3.799 3.960 0.004 0.000 0.220 47 G HA3 -0.163 3.799 3.960 0.004 0.000 0.220 47 G C -0.110 174.748 174.900 -0.071 0.000 0.990 47 G CA 0.021 44.996 45.100 -0.209 0.000 0.646 47 G HN 0.815 nan 8.290 nan 0.000 0.517 48 H N 0.025 119.077 119.070 -0.028 0.000 2.495 48 H HA 0.686 5.245 4.556 0.004 0.000 0.350 48 H C 0.737 176.131 175.328 0.110 0.000 1.202 48 H CA -0.545 55.567 56.048 0.105 0.000 1.322 48 H CB 0.733 30.572 29.762 0.127 0.000 1.544 48 H HN 0.075 nan 8.280 nan 0.000 0.565 49 R N 1.409 122.122 120.500 0.355 0.000 2.349 49 R HA 0.336 4.678 4.340 0.004 0.000 0.299 49 R C -0.764 175.658 176.300 0.203 0.000 1.027 49 R CA -0.577 55.699 56.100 0.292 0.000 0.958 49 R CB 1.192 31.640 30.300 0.247 0.000 1.047 49 R HN 0.452 nan 8.270 nan 0.000 0.468 50 V N -1.081 118.924 119.914 0.152 0.000 3.126 50 V HA 0.881 5.003 4.120 0.004 0.000 0.314 50 V C -0.579 175.551 176.094 0.060 0.000 1.138 50 V CA -1.244 61.109 62.300 0.089 0.000 1.034 50 V CB 1.984 33.848 31.823 0.070 0.000 1.075 50 V HN 0.784 nan 8.190 nan 0.000 0.442 51 A N 1.481 124.320 122.820 0.032 0.000 2.273 51 A HA 0.811 5.134 4.320 0.004 0.000 0.315 51 A C -0.662 176.931 177.584 0.015 0.000 1.256 51 A CA -0.590 51.468 52.037 0.034 0.000 0.851 51 A CB 1.068 20.096 19.000 0.047 0.000 1.172 51 A HN 1.208 nan 8.150 nan 0.000 0.508 52 V N 3.019 122.958 119.914 0.041 0.000 2.370 52 V HA 0.432 4.555 4.120 0.004 0.000 0.283 52 V C 0.127 176.366 176.094 0.240 0.000 1.023 52 V CA -0.549 61.804 62.300 0.089 0.000 0.857 52 V CB 1.325 33.221 31.823 0.121 0.000 0.985 52 V HN 0.914 nan 8.190 nan 0.000 0.443 53 K N 4.615 125.086 120.400 0.118 0.000 2.274 53 K HA 0.478 4.800 4.320 0.004 0.000 0.262 53 K C -0.447 176.044 176.600 -0.181 0.000 0.961 53 K CA -0.653 55.667 56.287 0.054 0.000 0.833 53 K CB 1.282 33.778 32.500 -0.007 0.000 1.102 53 K HN 0.603 nan 8.250 nan 0.000 0.436 54 K N 6.983 127.126 120.400 -0.427 0.000 2.292 54 K HA 0.213 4.536 4.320 0.004 0.000 0.270 54 K C -0.590 175.614 176.600 -0.660 0.000 1.062 54 K CA -0.537 55.170 56.287 -0.967 0.000 0.916 54 K CB 0.514 32.035 32.500 -1.632 0.000 1.166 54 K HN 0.708 nan 8.250 nan 0.000 0.458 55 L N 3.501 124.386 121.223 -0.563 0.000 2.490 55 L HA -0.053 4.290 4.340 0.004 0.000 0.274 55 L C 1.535 178.154 176.870 -0.419 0.000 1.201 55 L CA -0.105 54.494 54.840 -0.402 0.000 0.869 55 L CB 0.906 42.751 42.059 -0.356 0.000 1.123 55 L HN 0.830 nan 8.230 nan 0.000 0.484 56 S N 2.693 118.204 115.700 -0.315 0.000 2.436 56 S HA -0.110 4.363 4.470 0.004 0.000 0.215 56 S C 0.756 175.193 174.600 -0.272 0.000 1.047 56 S CA 1.205 59.242 58.200 -0.272 0.000 1.086 56 S CB -0.089 62.997 63.200 -0.190 0.000 1.072 56 S HN 0.566 nan 8.310 nan 0.000 0.411 57 R N 1.506 121.864 120.500 -0.238 0.000 2.494 57 R HA 0.293 4.636 4.340 0.004 0.000 0.284 57 R C -2.176 173.948 176.300 -0.294 0.000 1.525 57 R CA -1.579 54.366 56.100 -0.259 0.000 1.460 57 R CB 1.380 31.536 30.300 -0.240 0.000 1.134 57 R HN 0.307 nan 8.270 nan 0.000 0.592 58 P HA -0.156 nan 4.420 nan 0.000 0.216 58 P C -0.005 176.838 177.300 -0.763 0.000 1.150 58 P CA 1.428 64.064 63.100 -0.773 0.000 0.837 58 P CB 0.215 31.140 31.700 -1.291 0.000 0.786 59 F N -0.132 119.776 119.950 -0.070 0.000 2.818 59 F HA 0.306 4.835 4.527 0.005 0.000 0.369 59 F C 1.949 177.719 175.800 -0.051 0.000 1.327 59 F CA -0.672 57.309 58.000 -0.030 0.000 1.211 59 F CB -0.156 38.813 39.000 -0.052 0.000 1.036 59 F HN -0.110 nan 8.300 nan 0.000 0.510 60 Q N 0.237 120.031 119.800 -0.010 0.000 2.389 60 Q HA 0.104 4.446 4.340 0.004 0.000 0.204 60 Q C 0.652 176.629 176.000 -0.040 0.000 0.944 60 Q CA 0.701 56.456 55.803 -0.080 0.000 0.908 60 Q CB 0.458 29.054 28.738 -0.236 0.000 1.002 60 Q HN 0.354 nan 8.270 nan 0.000 0.493 61 S N -1.408 114.316 115.700 0.040 0.000 2.625 61 S HA 0.373 4.846 4.470 0.004 0.000 0.271 61 S C 0.527 175.228 174.600 0.169 0.000 1.161 61 S CA -0.938 57.322 58.200 0.100 0.000 0.820 61 S CB 0.709 63.984 63.200 0.125 0.000 1.137 61 S HN 0.157 nan 8.310 nan 0.000 0.470 62 I N 1.175 121.840 120.570 0.159 0.000 2.394 62 I HA -0.085 4.087 4.170 0.004 0.000 0.251 62 I C 1.966 178.109 176.117 0.044 0.000 1.136 62 I CA 1.226 62.640 61.300 0.190 0.000 1.425 62 I CB -0.783 37.352 38.000 0.225 0.000 1.079 62 I HN 0.624 nan 8.210 nan 0.000 0.425 63 I N 0.057 120.653 120.570 0.043 0.000 2.315 63 I HA -0.251 3.922 4.170 0.004 0.000 0.248 63 I C 2.441 178.476 176.117 -0.137 0.000 1.117 63 I CA 1.477 62.734 61.300 -0.073 0.000 1.404 63 I CB -0.728 37.223 38.000 -0.081 0.000 1.071 63 I HN 0.162 nan 8.210 nan 0.000 0.419 64 H N 0.851 119.879 119.070 -0.071 0.000 2.372 64 H HA 0.124 4.683 4.556 0.004 0.000 0.301 64 H C 2.396 177.685 175.328 -0.066 0.000 1.065 64 H CA 1.291 57.292 56.048 -0.078 0.000 1.364 64 H CB -0.150 29.567 29.762 -0.075 0.000 1.406 64 H HN 0.285 nan 8.280 nan 0.000 0.521 65 A N 0.880 123.789 122.820 0.149 0.000 1.902 65 A HA -0.215 4.108 4.320 0.004 0.000 0.217 65 A C 2.153 179.747 177.584 0.015 0.000 1.181 65 A CA 1.928 54.140 52.037 0.290 0.000 0.623 65 A CB -0.390 18.867 19.000 0.428 0.000 0.818 65 A HN 0.380 nan 8.150 nan 0.000 0.443 66 K N -0.377 119.776 120.400 -0.412 0.000 2.062 66 K HA -0.115 4.207 4.320 0.004 0.000 0.205 66 K C 2.295 178.711 176.600 -0.307 0.000 1.051 66 K CA 1.333 57.121 56.287 -0.832 0.000 0.941 66 K CB -0.204 31.696 32.500 -0.999 0.000 0.719 66 K HN 0.407 nan 8.250 nan 0.000 0.440 67 R N -0.012 120.370 120.500 -0.197 0.000 2.081 67 R HA -0.107 4.236 4.340 0.004 0.000 0.235 67 R C 1.746 178.002 176.300 -0.073 0.000 1.131 67 R CA 2.107 58.135 56.100 -0.119 0.000 0.960 67 R CB -0.410 29.790 30.300 -0.166 0.000 0.856 67 R HN 0.194 nan 8.270 nan 0.000 0.436 68 T N 0.136 114.660 114.554 -0.051 0.000 2.708 68 T HA -0.207 4.146 4.350 0.004 0.000 0.266 68 T C 1.349 176.080 174.700 0.052 0.000 1.037 68 T CA 1.608 63.693 62.100 -0.026 0.000 1.146 68 T CB -0.523 68.300 68.868 -0.075 0.000 0.865 68 T HN 0.368 nan 8.240 nan 0.000 0.435 69 Y N 2.340 122.642 120.300 0.002 0.000 2.128 69 Y HA -0.146 4.407 4.550 0.004 0.000 0.284 69 Y C 2.686 178.501 175.900 -0.141 0.000 1.154 69 Y CA 1.596 59.687 58.100 -0.016 0.000 1.149 69 Y CB -0.322 38.136 38.460 -0.004 0.000 0.976 69 Y HN 0.004 nan 8.280 nan 0.000 0.505 70 R N 0.480 120.854 120.500 -0.210 0.000 2.081 70 R HA -0.210 4.132 4.340 0.004 0.000 0.235 70 R C 2.289 178.513 176.300 -0.126 0.000 1.131 70 R CA 1.950 57.968 56.100 -0.136 0.000 0.960 70 R CB -0.505 29.877 30.300 0.137 0.000 0.856 70 R HN 0.543 nan 8.270 nan 0.000 0.436 71 E N 0.178 120.314 120.200 -0.106 0.000 2.106 71 E HA -0.190 4.162 4.350 0.004 0.000 0.192 71 E C 1.951 178.475 176.600 -0.127 0.000 0.984 71 E CA 0.910 57.250 56.400 -0.101 0.000 0.806 71 E CB 0.016 29.674 29.700 -0.071 0.000 0.750 71 E HN 0.271 nan 8.360 nan 0.000 0.458 72 L N 1.287 122.422 121.223 -0.146 0.000 2.056 72 L HA -0.114 4.229 4.340 0.004 0.000 0.207 72 L C 2.204 178.990 176.870 -0.139 0.000 1.078 72 L CA 1.564 56.330 54.840 -0.124 0.000 0.749 72 L CB -0.399 41.612 42.059 -0.080 0.000 0.901 72 L HN -0.002 nan 8.230 nan 0.000 0.433 73 R N -0.634 119.702 120.500 -0.273 0.000 2.081 73 R HA -0.096 4.247 4.340 0.004 0.000 0.235 73 R C 2.162 178.481 176.300 0.032 0.000 1.131 73 R CA 1.118 57.116 56.100 -0.169 0.000 0.960 73 R CB -1.107 28.950 30.300 -0.406 0.000 0.856 73 R HN 0.353 nan 8.270 nan 0.000 0.436 74 L N 0.693 121.884 121.223 -0.054 0.000 1.994 74 L HA -0.169 4.174 4.340 0.004 0.000 0.208 74 L C 2.220 178.948 176.870 -0.236 0.000 1.071 74 L CA 1.552 56.255 54.840 -0.229 0.000 0.745 74 L CB -0.724 41.146 42.059 -0.315 0.000 0.892 74 L HN 0.129 nan 8.230 nan 0.000 0.431 75 L N -0.063 121.057 121.223 -0.171 0.000 2.083 75 L HA -0.186 4.157 4.340 0.004 0.000 0.209 75 L C 2.535 179.409 176.870 0.007 0.000 1.083 75 L CA 1.553 56.331 54.840 -0.103 0.000 0.752 75 L CB -0.814 41.200 42.059 -0.075 0.000 0.899 75 L HN 0.209 nan 8.230 nan 0.000 0.433 76 K N -1.791 118.643 120.400 0.057 0.000 2.211 76 K HA -0.171 4.151 4.320 0.004 0.000 0.203 76 K C 2.091 178.791 176.600 0.166 0.000 1.050 76 K CA 0.818 57.203 56.287 0.164 0.000 0.945 76 K CB -0.129 32.478 32.500 0.179 0.000 0.732 76 K HN 0.430 nan 8.250 nan 0.000 0.451 77 H N -0.225 118.864 119.070 0.031 0.000 2.415 77 H HA 0.077 4.635 4.556 0.004 0.000 0.297 77 H C 0.204 175.572 175.328 0.067 0.000 1.048 77 H CA 0.324 56.398 56.048 0.042 0.000 1.365 77 H CB 0.394 30.138 29.762 -0.030 0.000 1.421 77 H HN -0.008 nan 8.280 nan 0.000 0.533 78 M N 2.364 121.990 119.600 0.044 0.000 2.364 78 M HA 0.035 4.518 4.480 0.004 0.000 0.342 78 M C -0.304 176.013 176.300 0.028 0.000 1.601 78 M CA 0.937 56.288 55.300 0.085 0.000 1.156 78 M CB 0.028 32.650 32.600 0.038 0.000 1.912 78 M HN 0.083 nan 8.290 nan 0.000 0.460 79 K N 3.169 123.565 120.400 -0.007 0.000 2.842 79 K HA 0.340 4.662 4.320 0.004 0.000 0.176 79 K C -1.062 175.369 176.600 -0.281 0.000 1.080 79 K CA -0.354 55.886 56.287 -0.078 0.000 0.954 79 K CB 1.007 33.499 32.500 -0.014 0.000 1.203 79 K HN 0.615 nan 8.250 nan 0.000 0.611 80 H N 0.245 119.011 119.070 -0.507 0.000 2.851 80 H HA 0.084 4.642 4.556 0.004 0.000 0.372 80 H C 0.604 175.750 175.328 -0.304 0.000 1.158 80 H CA -0.600 55.090 56.048 -0.597 0.000 1.159 80 H CB 1.589 30.691 29.762 -1.101 0.000 1.757 80 H HN 0.393 nan 8.280 nan 0.000 0.546 81 E N 1.637 121.583 120.200 -0.423 0.000 2.482 81 E HA -0.084 4.269 4.350 0.004 0.000 0.196 81 E C -0.019 176.536 176.600 -0.076 0.000 1.047 81 E CA 0.771 57.045 56.400 -0.210 0.000 0.869 81 E CB 0.032 29.597 29.700 -0.226 0.000 0.836 81 E HN 0.571 nan 8.360 nan 0.000 0.520 82 N N 0.270 119.058 118.700 0.146 0.000 2.187 82 N HA 0.129 4.872 4.740 0.004 0.000 0.212 82 N C -1.198 174.303 175.510 -0.016 0.000 1.152 82 N CA -0.230 52.853 53.050 0.056 0.000 0.872 82 N CB 1.466 39.981 38.487 0.047 0.000 1.025 82 N HN -0.102 nan 8.380 nan 0.000 0.514 83 V N 1.172 121.097 119.914 0.017 0.000 2.789 83 V HA 0.306 4.428 4.120 0.004 0.000 0.311 83 V C -0.047 176.093 176.094 0.077 0.000 1.073 83 V CA -1.128 61.196 62.300 0.041 0.000 0.921 83 V CB 2.691 34.556 31.823 0.070 0.000 1.009 83 V HN 0.118 nan 8.190 nan 0.000 0.426 84 I N 3.026 123.686 120.570 0.150 0.000 2.741 84 I HA 0.374 4.547 4.170 0.004 0.000 0.288 84 I C 0.770 176.964 176.117 0.128 0.000 1.192 84 I CA 0.730 62.116 61.300 0.143 0.000 1.426 84 I CB 0.304 38.414 38.000 0.183 0.000 1.367 84 I HN 0.798 nan 8.210 nan 0.000 0.563 85 G N 7.378 116.247 108.800 0.116 0.000 2.509 85 G HA2 0.478 4.441 3.960 0.004 0.000 0.328 85 G HA3 0.478 4.441 3.960 0.004 0.000 0.328 85 G C -1.142 173.804 174.900 0.076 0.000 1.194 85 G CA -0.823 44.336 45.100 0.099 0.000 0.967 85 G HN 0.602 nan 8.290 nan 0.000 0.488 86 L N 1.768 123.041 121.223 0.084 0.000 2.262 86 L HA 0.329 4.671 4.340 0.004 0.000 0.288 86 L C 0.947 177.873 176.870 0.093 0.000 1.035 86 L CA -0.546 54.318 54.840 0.040 0.000 0.820 86 L CB 1.327 43.415 42.059 0.048 0.000 1.204 86 L HN 0.542 nan 8.230 nan 0.000 0.424 87 L N 2.830 124.045 121.223 -0.013 0.000 2.179 87 L HA 0.042 4.385 4.340 0.004 0.000 0.208 87 L C 0.068 177.007 176.870 0.115 0.000 1.096 87 L CA 0.934 55.800 54.840 0.043 0.000 0.779 87 L CB 0.128 42.133 42.059 -0.091 0.000 0.922 87 L HN 0.661 nan 8.230 nan 0.000 0.443 88 D N -2.404 117.894 120.400 -0.170 0.000 2.728 88 D HA 0.323 4.965 4.640 0.004 0.000 0.249 88 D C -1.685 174.296 176.300 -0.532 0.000 1.225 88 D CA -0.244 53.531 54.000 -0.374 0.000 0.748 88 D CB 2.014 42.904 40.800 0.151 0.000 1.326 88 D HN -0.267 nan 8.370 nan 0.000 0.426 89 V N 2.855 122.413 119.914 -0.593 0.000 2.808 89 V HA 0.931 5.054 4.120 0.004 0.000 0.308 89 V C -1.652 174.432 176.094 -0.016 0.000 1.099 89 V CA -0.434 61.654 62.300 -0.354 0.000 0.920 89 V CB 1.247 32.831 31.823 -0.399 0.000 1.014 89 V HN 0.611 nan 8.190 nan 0.000 0.425 90 F N 2.460 122.455 119.950 0.074 0.000 2.741 90 F HA 0.904 5.433 4.527 0.004 0.000 0.313 90 F C -0.885 175.124 175.800 0.349 0.000 1.153 90 F CA -0.585 57.534 58.000 0.198 0.000 0.931 90 F CB 1.725 40.852 39.000 0.211 0.000 1.335 90 F HN 0.576 nan 8.300 nan 0.000 0.460 91 T N 1.471 116.450 114.554 0.708 0.000 2.993 91 T HA 0.469 4.822 4.350 0.004 0.000 0.312 91 T C -2.423 172.510 174.700 0.388 0.000 1.115 91 T CA -1.622 60.852 62.100 0.624 0.000 1.027 91 T CB 1.977 71.225 68.868 0.632 0.000 1.116 91 T HN 0.556 nan 8.240 nan 0.000 0.464 92 P HA 0.151 nan 4.420 nan 0.000 0.226 92 P C 0.461 177.590 177.300 -0.286 0.000 1.153 92 P CA 0.119 62.859 63.100 -0.599 0.000 0.777 92 P CB -0.223 31.294 31.700 -0.306 0.000 0.794 93 A N 1.125 123.981 122.820 0.059 0.000 2.584 93 A HA -0.058 4.265 4.320 0.004 0.000 0.239 93 A C 1.380 179.026 177.584 0.104 0.000 1.043 93 A CA 0.259 52.381 52.037 0.142 0.000 0.756 93 A CB -0.243 18.985 19.000 0.380 0.000 0.963 93 A HN 0.125 nan 8.150 nan 0.000 0.511 94 R N 0.881 121.413 120.500 0.055 0.000 2.254 94 R HA 0.099 4.441 4.340 0.004 0.000 0.195 94 R C 0.285 176.645 176.300 0.099 0.000 0.957 94 R CA 0.982 57.116 56.100 0.056 0.000 1.024 94 R CB 0.041 30.351 30.300 0.017 0.000 0.952 94 R HN 0.902 nan 8.270 nan 0.000 0.484 95 S N -1.395 114.347 115.700 0.071 0.000 2.588 95 S HA 0.110 4.583 4.470 0.004 0.000 0.269 95 S C 0.207 174.642 174.600 -0.275 0.000 1.157 95 S CA -0.915 57.278 58.200 -0.013 0.000 0.824 95 S CB 1.176 64.363 63.200 -0.021 0.000 1.126 95 S HN -0.010 nan 8.310 nan 0.000 0.464 96 L N 1.373 122.243 121.223 -0.588 0.000 2.127 96 L HA 0.061 4.404 4.340 0.004 0.000 0.211 96 L C 2.104 178.810 176.870 -0.273 0.000 1.089 96 L CA 2.178 56.560 54.840 -0.764 0.000 0.757 96 L CB -1.259 40.453 42.059 -0.579 0.000 0.899 96 L HN 0.876 nan 8.230 nan 0.000 0.434 97 E N 0.330 120.429 120.200 -0.169 0.000 2.085 97 E HA -0.248 4.104 4.350 0.004 0.000 0.194 97 E C 1.853 178.415 176.600 -0.063 0.000 0.994 97 E CA 1.767 58.112 56.400 -0.092 0.000 0.801 97 E CB -0.249 29.414 29.700 -0.062 0.000 0.743 97 E HN 0.823 nan 8.360 nan 0.000 0.453 98 E N -0.108 120.066 120.200 -0.043 0.000 2.476 98 E HA -0.014 4.339 4.350 0.004 0.000 0.196 98 E C -0.261 176.372 176.600 0.055 0.000 1.029 98 E CA -0.456 55.943 56.400 -0.003 0.000 0.896 98 E CB -0.106 29.598 29.700 0.007 0.000 1.012 98 E HN 0.111 nan 8.360 nan 0.000 0.475 99 F N 2.523 122.387 119.950 -0.142 0.000 2.506 99 F HA 0.196 4.725 4.527 0.004 0.000 0.371 99 F C 0.622 176.450 175.800 0.048 0.000 1.078 99 F CA 0.009 57.971 58.000 -0.063 0.000 1.195 99 F CB 0.640 39.485 39.000 -0.259 0.000 1.099 99 F HN -0.011 nan 8.300 nan 0.000 0.548 100 N N 2.701 121.175 118.700 -0.377 0.000 1.921 100 N HA -0.028 4.715 4.740 0.004 0.000 0.237 100 N C -1.126 174.206 175.510 -0.297 0.000 1.352 100 N CA -0.004 52.847 53.050 -0.332 0.000 0.805 100 N CB 0.548 38.958 38.487 -0.129 0.000 1.159 100 N HN 0.505 nan 8.380 nan 0.000 0.473 101 D N 1.287 121.598 120.400 -0.147 0.000 2.192 101 D HA 0.364 5.006 4.640 0.004 0.000 0.246 101 D C -0.594 175.732 176.300 0.043 0.000 1.042 101 D CA -0.198 53.725 54.000 -0.128 0.000 0.847 101 D CB 3.145 43.933 40.800 -0.020 0.000 1.186 101 D HN -0.194 nan 8.370 nan 0.000 0.461 102 V N 2.933 122.733 119.914 -0.190 0.000 2.483 102 V HA 0.296 4.418 4.120 0.004 0.000 0.297 102 V C -1.090 174.772 176.094 -0.388 0.000 1.027 102 V CA -0.745 61.516 62.300 -0.065 0.000 0.855 102 V CB 1.033 32.847 31.823 -0.015 0.000 0.995 102 V HN 0.390 nan 8.190 nan 0.000 0.424 103 Y N 4.808 124.822 120.300 -0.476 0.000 2.377 103 Y HA 0.743 5.295 4.550 0.004 0.000 0.339 103 Y C -0.077 175.431 175.900 -0.653 0.000 1.011 103 Y CA -0.851 56.823 58.100 -0.709 0.000 1.093 103 Y CB 1.793 39.459 38.460 -1.323 0.000 1.201 103 Y HN 0.428 nan 8.280 nan 0.000 0.455 104 L N 3.710 124.764 121.223 -0.281 0.000 2.365 104 L HA 0.793 5.136 4.340 0.004 0.000 0.273 104 L C -1.041 175.731 176.870 -0.163 0.000 1.000 104 L CA -1.077 53.629 54.840 -0.223 0.000 0.819 104 L CB 1.835 43.804 42.059 -0.149 0.000 1.284 104 L HN 0.292 nan 8.230 nan 0.000 0.418 105 V N 1.239 121.055 119.914 -0.162 0.000 2.604 105 V HA 0.753 4.876 4.120 0.004 0.000 0.305 105 V C -0.144 175.890 176.094 -0.099 0.000 1.043 105 V CA -0.332 61.897 62.300 -0.120 0.000 0.888 105 V CB 2.007 33.762 31.823 -0.114 0.000 0.995 105 V HN 0.867 nan 8.190 nan 0.000 0.429 106 T N 1.507 116.012 114.554 -0.081 0.000 2.762 106 T HA 0.480 4.833 4.350 0.004 0.000 0.301 106 T C -0.936 173.699 174.700 -0.109 0.000 1.299 106 T CA -0.612 61.427 62.100 -0.103 0.000 1.005 106 T CB 1.113 69.976 68.868 -0.008 0.000 1.377 106 T HN 0.793 nan 8.240 nan 0.000 0.504 107 H N 1.077 120.138 119.070 -0.015 0.000 2.928 107 H HA 0.319 4.877 4.556 0.004 0.000 0.338 107 H C 0.148 175.477 175.328 0.001 0.000 1.047 107 H CA -0.174 55.853 56.048 -0.035 0.000 1.435 107 H CB 0.290 29.993 29.762 -0.098 0.000 1.428 107 H HN 0.254 nan 8.280 nan 0.000 0.590 108 L N 4.255 125.559 121.223 0.134 0.000 2.410 108 L HA 0.111 4.453 4.340 0.004 0.000 0.273 108 L C -0.586 176.334 176.870 0.083 0.000 1.144 108 L CA 0.205 55.102 54.840 0.096 0.000 0.863 108 L CB 0.104 42.221 42.059 0.097 0.000 1.140 108 L HN 0.572 nan 8.230 nan 0.000 0.463 109 M N 4.730 124.366 119.600 0.059 0.000 2.268 109 M HA 0.344 4.827 4.480 0.004 0.000 0.344 109 M C 0.992 177.308 176.300 0.027 0.000 1.106 109 M CA -0.300 55.021 55.300 0.035 0.000 1.010 109 M CB 0.999 33.612 32.600 0.022 0.000 1.649 109 M HN 0.718 nan 8.290 nan 0.000 0.443 110 G N 2.522 111.334 108.800 0.019 0.000 2.607 110 G HA2 0.325 4.287 3.960 0.004 0.000 0.215 110 G HA3 0.325 4.287 3.960 0.004 0.000 0.215 110 G C 0.285 175.188 174.900 0.006 0.000 1.275 110 G CA 0.528 45.637 45.100 0.016 0.000 0.842 110 G HN 0.782 nan 8.290 nan 0.000 0.555 111 A N -0.055 122.763 122.820 -0.004 0.000 2.322 111 A HA 0.670 4.992 4.320 0.004 0.000 0.327 111 A C -0.625 176.944 177.584 -0.025 0.000 1.134 111 A CA -0.053 51.978 52.037 -0.011 0.000 0.831 111 A CB 1.382 20.375 19.000 -0.011 0.000 1.288 111 A HN 0.502 nan 8.150 nan 0.000 0.472 112 D N -0.793 119.588 120.400 -0.031 0.000 2.616 112 D HA 0.374 5.016 4.640 0.004 0.000 0.260 112 D C 0.652 176.919 176.300 -0.056 0.000 1.158 112 D CA -0.679 53.290 54.000 -0.051 0.000 1.085 112 D CB 0.187 40.953 40.800 -0.056 0.000 1.222 112 D HN 0.185 nan 8.370 nan 0.000 0.626 113 L N 0.095 121.271 121.223 -0.077 0.000 2.191 113 L HA -0.025 4.318 4.340 0.004 0.000 0.212 113 L C 1.459 178.303 176.870 -0.044 0.000 1.103 113 L CA 1.514 56.311 54.840 -0.071 0.000 0.769 113 L CB -1.112 40.888 42.059 -0.099 0.000 0.908 113 L HN 0.362 nan 8.230 nan 0.000 0.438 114 N N 0.304 118.980 118.700 -0.040 0.000 2.120 114 N HA -0.154 4.588 4.740 0.004 0.000 0.188 114 N C 0.906 176.415 175.510 -0.001 0.000 1.024 114 N CA 1.252 54.295 53.050 -0.012 0.000 0.852 114 N CB -0.461 38.021 38.487 -0.009 0.000 1.003 114 N HN 0.488 nan 8.380 nan 0.000 0.424 115 N N 0.083 118.778 118.700 -0.008 0.000 2.530 115 N HA 0.091 4.833 4.740 0.004 0.000 0.216 115 N C 0.435 175.943 175.510 -0.002 0.000 1.315 115 N CA 0.099 53.148 53.050 -0.002 0.000 0.858 115 N CB 0.258 38.742 38.487 -0.005 0.000 1.138 115 N HN 0.270 nan 8.380 nan 0.000 0.473 116 I N -2.776 117.794 120.570 -0.000 0.000 4.578 116 I HA -0.072 4.101 4.170 0.004 0.000 0.296 116 I C 1.342 177.470 176.117 0.018 0.000 1.136 116 I CA 0.184 61.485 61.300 0.002 0.000 1.344 116 I CB 0.248 38.238 38.000 -0.016 0.000 1.712 116 I HN -0.113 nan 8.210 nan 0.000 0.460 117 V N 1.073 120.997 119.914 0.017 0.000 2.283 117 V HA -0.181 3.942 4.120 0.004 0.000 0.243 117 V C 2.066 178.181 176.094 0.035 0.000 1.039 117 V CA 1.558 63.875 62.300 0.030 0.000 1.016 117 V CB -0.912 30.930 31.823 0.031 0.000 0.650 117 V HN 0.270 nan 8.190 nan 0.000 0.449 118 K N -0.093 120.328 120.400 0.035 0.000 2.520 118 K HA -0.200 4.122 4.320 0.004 0.000 0.198 118 K C 1.895 178.516 176.600 0.034 0.000 1.045 118 K CA 1.571 57.882 56.287 0.039 0.000 0.934 118 K CB -0.622 31.902 32.500 0.041 0.000 0.766 118 K HN 0.585 nan 8.250 nan 0.000 0.483 119 C N -0.225 119.095 119.300 0.032 0.000 2.634 119 C HA 0.183 4.646 4.460 0.004 0.000 0.268 119 C C 0.815 175.825 174.990 0.033 0.000 1.322 119 C CA -0.394 58.642 59.018 0.031 0.000 1.737 119 C CB -0.554 27.205 27.740 0.031 0.000 1.976 119 C HN 0.483 nan 8.230 nan 0.000 0.547 120 Q N -0.982 118.839 119.800 0.035 0.000 3.045 120 Q HA 0.042 4.385 4.340 0.004 0.000 0.328 120 Q C -1.408 174.615 176.000 0.039 0.000 0.844 120 Q CA -0.713 55.110 55.803 0.034 0.000 0.930 120 Q CB 0.316 29.074 28.738 0.034 0.000 1.432 120 Q HN 0.381 nan 8.270 nan 0.000 0.528 121 K N 0.747 121.169 120.400 0.036 0.000 2.234 121 K HA 0.419 4.742 4.320 0.004 0.000 0.251 121 K C -0.251 176.385 176.600 0.059 0.000 1.011 121 K CA -0.000 56.311 56.287 0.040 0.000 0.889 121 K CB 0.322 32.842 32.500 0.033 0.000 1.011 121 K HN 0.367 nan 8.250 nan 0.000 0.505 122 L N 0.248 121.514 121.223 0.071 0.000 2.319 122 L HA 0.241 4.584 4.340 0.004 0.000 0.267 122 L C 0.363 177.278 176.870 0.076 0.000 1.011 122 L CA -0.842 54.065 54.840 0.111 0.000 0.818 122 L CB 2.172 44.322 42.059 0.152 0.000 1.316 122 L HN 0.857 nan 8.230 nan 0.000 0.432 123 T N -2.606 111.965 114.554 0.029 0.000 2.918 123 T HA -0.008 4.344 4.350 0.004 0.000 0.302 123 T C 0.763 175.463 174.700 -0.001 0.000 1.045 123 T CA -0.206 61.849 62.100 -0.075 0.000 1.114 123 T CB 0.864 69.543 68.868 -0.315 0.000 0.965 123 T HN 0.710 nan 8.240 nan 0.000 0.540 124 D N 1.289 121.706 120.400 0.028 0.000 2.190 124 D HA -0.136 4.507 4.640 0.004 0.000 0.200 124 D C 1.476 177.838 176.300 0.103 0.000 0.992 124 D CA 1.413 55.478 54.000 0.109 0.000 0.854 124 D CB -0.048 40.821 40.800 0.113 0.000 0.936 124 D HN 0.659 nan 8.370 nan 0.000 0.462 125 D N -1.269 119.147 120.400 0.027 0.000 2.178 125 D HA -0.110 4.533 4.640 0.004 0.000 0.202 125 D C 1.714 178.162 176.300 0.246 0.000 0.974 125 D CA 0.849 54.900 54.000 0.085 0.000 0.841 125 D CB -0.264 40.532 40.800 -0.007 0.000 0.953 125 D HN 0.572 nan 8.370 nan 0.000 0.478 126 H N -0.239 118.919 119.070 0.148 0.000 2.403 126 H HA 0.006 4.565 4.556 0.005 0.000 0.298 126 H C 2.271 177.700 175.328 0.167 0.000 1.059 126 H CA 0.208 56.356 56.048 0.167 0.000 1.363 126 H CB 0.556 30.389 29.762 0.118 0.000 1.410 126 H HN -0.074 nan 8.280 nan 0.000 0.528 127 V N 1.035 121.120 119.914 0.285 0.000 2.358 127 V HA -0.243 3.879 4.120 0.004 0.000 0.246 127 V C 2.204 178.488 176.094 0.316 0.000 1.047 127 V CA 1.552 64.004 62.300 0.253 0.000 1.035 127 V CB -0.458 31.513 31.823 0.245 0.000 0.658 127 V HN 0.424 nan 8.190 nan 0.000 0.452 128 Q N -0.907 119.059 119.800 0.277 0.000 1.985 128 Q HA -0.254 4.089 4.340 0.004 0.000 0.207 128 Q C 2.223 178.407 176.000 0.307 0.000 0.996 128 Q CA 2.413 58.346 55.803 0.217 0.000 0.851 128 Q CB -0.367 28.421 28.738 0.083 0.000 0.921 128 Q HN 0.578 nan 8.270 nan 0.000 0.418 129 F N 1.118 121.005 119.950 -0.106 0.000 2.091 129 F HA -0.239 4.291 4.527 0.004 0.000 0.299 129 F C 1.886 177.583 175.800 -0.173 0.000 1.103 129 F CA 1.450 59.164 58.000 -0.477 0.000 1.228 129 F CB -0.474 38.303 39.000 -0.373 0.000 0.984 129 F HN 0.022 nan 8.300 nan 0.000 0.477 130 L N -0.550 120.605 121.223 -0.113 0.000 2.017 130 L HA -0.257 4.085 4.340 0.004 0.000 0.208 130 L C 2.445 179.215 176.870 -0.168 0.000 1.073 130 L CA 0.760 55.470 54.840 -0.217 0.000 0.745 130 L CB -0.664 41.349 42.059 -0.076 0.000 0.894 130 L HN 0.111 nan 8.230 nan 0.000 0.432 131 I N -1.045 119.528 120.570 0.005 0.000 2.315 131 I HA -0.299 3.874 4.170 0.004 0.000 0.248 131 I C 2.477 178.464 176.117 -0.217 0.000 1.117 131 I CA 1.439 62.748 61.300 0.016 0.000 1.404 131 I CB -1.267 36.917 38.000 0.306 0.000 1.071 131 I HN 0.261 nan 8.210 nan 0.000 0.419 132 Y N 2.380 122.430 120.300 -0.417 0.000 2.114 132 Y HA -0.311 4.242 4.550 0.004 0.000 0.282 132 Y C 2.707 178.323 175.900 -0.473 0.000 1.165 132 Y CA 2.040 59.696 58.100 -0.741 0.000 1.148 132 Y CB -0.457 37.708 38.460 -0.493 0.000 0.972 132 Y HN 0.244 nan 8.280 nan 0.000 0.504 133 Q N -0.087 119.421 119.800 -0.487 0.000 2.124 133 Q HA -0.165 4.177 4.340 0.004 0.000 0.202 133 Q C 2.369 178.118 176.000 -0.420 0.000 0.977 133 Q CA 2.017 57.532 55.803 -0.479 0.000 0.850 133 Q CB -0.197 28.264 28.738 -0.462 0.000 0.901 133 Q HN 0.582 nan 8.270 nan 0.000 0.429 134 I N 0.431 120.781 120.570 -0.367 0.000 2.226 134 I HA -0.284 3.889 4.170 0.004 0.000 0.245 134 I C 2.059 177.972 176.117 -0.340 0.000 1.100 134 I CA 1.109 62.219 61.300 -0.316 0.000 1.374 134 I CB -0.180 37.670 38.000 -0.251 0.000 1.057 134 I HN 0.206 nan 8.210 nan 0.000 0.413 135 L N 0.161 121.154 121.223 -0.384 0.000 2.156 135 L HA -0.150 4.193 4.340 0.004 0.000 0.208 135 L C 2.717 179.359 176.870 -0.380 0.000 1.095 135 L CA 0.985 55.613 54.840 -0.353 0.000 0.770 135 L CB -0.504 41.337 42.059 -0.364 0.000 0.914 135 L HN 0.201 nan 8.230 nan 0.000 0.439 136 R N 0.347 120.536 120.500 -0.517 0.000 2.075 136 R HA -0.117 4.226 4.340 0.004 0.000 0.232 136 R C 2.212 178.302 176.300 -0.350 0.000 1.126 136 R CA 1.470 57.325 56.100 -0.408 0.000 0.963 136 R CB -0.403 29.590 30.300 -0.513 0.000 0.858 136 R HN 0.327 nan 8.270 nan 0.000 0.435 137 G N 0.662 109.213 108.800 -0.415 0.000 2.421 137 G HA2 -0.181 3.782 3.960 0.004 0.000 0.217 137 G HA3 -0.181 3.782 3.960 0.004 0.000 0.217 137 G C 1.220 175.897 174.900 -0.371 0.000 1.143 137 G CA 0.143 44.901 45.100 -0.570 0.000 0.784 137 G HN 0.213 nan 8.290 nan 0.000 0.541 138 L N 0.947 121.960 121.223 -0.350 0.000 2.056 138 L HA 0.083 4.426 4.340 0.004 0.000 0.207 138 L C 2.718 179.366 176.870 -0.370 0.000 1.078 138 L CA 1.993 56.571 54.840 -0.437 0.000 0.749 138 L CB -0.516 41.283 42.059 -0.432 0.000 0.901 138 L HN 0.297 nan 8.230 nan 0.000 0.433 139 K N -1.646 118.630 120.400 -0.206 0.000 2.063 139 K HA -0.292 4.030 4.320 0.004 0.000 0.208 139 K C 2.339 178.924 176.600 -0.024 0.000 1.048 139 K CA 2.025 58.276 56.287 -0.061 0.000 0.928 139 K CB -0.500 31.982 32.500 -0.029 0.000 0.713 139 K HN 0.371 nan 8.250 nan 0.000 0.442 140 Y N 1.137 121.314 120.300 -0.205 0.000 2.163 140 Y HA -0.145 4.408 4.550 0.005 0.000 0.288 140 Y C 1.878 177.741 175.900 -0.062 0.000 1.136 140 Y CA 1.736 59.747 58.100 -0.149 0.000 1.147 140 Y CB -0.090 38.136 38.460 -0.390 0.000 0.987 140 Y HN 0.001 nan 8.280 nan 0.000 0.509 141 I N -0.300 120.306 120.570 0.059 0.000 2.226 141 I HA -0.368 3.804 4.170 0.004 0.000 0.245 141 I C 2.164 178.341 176.117 0.100 0.000 1.100 141 I CA 1.901 63.259 61.300 0.098 0.000 1.374 141 I CB -0.535 37.539 38.000 0.123 0.000 1.057 141 I HN 0.375 nan 8.210 nan 0.000 0.413 142 H N -0.399 118.684 119.070 0.022 0.000 2.428 142 H HA -0.112 4.447 4.556 0.005 0.000 0.296 142 H C 2.515 177.843 175.328 0.000 0.000 1.062 142 H CA 1.114 57.177 56.048 0.026 0.000 1.350 142 H CB 0.109 29.889 29.762 0.029 0.000 1.403 142 H HN 0.364 nan 8.280 nan 0.000 0.533 143 S N 0.716 116.464 115.700 0.082 0.000 2.419 143 S HA -0.098 4.375 4.470 0.004 0.000 0.233 143 S C 2.014 176.615 174.600 0.000 0.000 1.016 143 S CA 0.774 58.983 58.200 0.015 0.000 0.974 143 S CB -0.049 63.122 63.200 -0.050 0.000 0.786 143 S HN 0.402 nan 8.310 nan 0.000 0.492 144 A N 0.698 123.508 122.820 -0.016 0.000 2.307 144 A HA 0.309 4.631 4.320 0.004 0.000 0.218 144 A C 0.358 178.006 177.584 0.107 0.000 1.228 144 A CA 0.215 52.277 52.037 0.041 0.000 0.857 144 A CB -0.306 18.702 19.000 0.014 0.000 0.897 144 A HN 0.363 nan 8.150 nan 0.000 0.495 145 D N -0.812 119.648 120.400 0.100 0.000 2.746 145 D HA -0.139 4.504 4.640 0.004 0.000 0.236 145 D C -0.444 175.944 176.300 0.146 0.000 1.129 145 D CA 1.010 55.074 54.000 0.107 0.000 0.691 145 D CB -1.361 39.489 40.800 0.083 0.000 1.077 145 D HN 0.539 nan 8.370 nan 0.000 0.432 146 I N 0.623 121.297 120.570 0.172 0.000 2.474 146 I HA 0.390 4.563 4.170 0.004 0.000 0.294 146 I C 0.631 176.920 176.117 0.287 0.000 1.005 146 I CA -0.796 60.620 61.300 0.193 0.000 1.113 146 I CB 1.803 39.877 38.000 0.122 0.000 1.289 146 I HN -0.128 nan 8.210 nan 0.000 0.436 147 I N 5.294 126.015 120.570 0.252 0.000 2.362 147 I HA 0.181 4.354 4.170 0.004 0.000 0.289 147 I C 1.177 177.444 176.117 0.251 0.000 0.994 147 I CA -0.507 60.958 61.300 0.274 0.000 1.158 147 I CB 1.432 39.571 38.000 0.231 0.000 1.315 147 I HN 0.708 nan 8.210 nan 0.000 0.451 148 H N 6.901 126.066 119.070 0.159 0.000 2.293 148 H HA -0.069 4.489 4.556 0.004 0.000 0.300 148 H C 1.223 176.549 175.328 -0.003 0.000 1.082 148 H CA 2.192 58.257 56.048 0.028 0.000 1.308 148 H CB 0.430 30.104 29.762 -0.146 0.000 1.375 148 H HN 0.642 nan 8.280 nan 0.000 0.495 149 R N -1.142 119.447 120.500 0.147 0.000 3.746 149 R HA -0.183 4.159 4.340 0.004 0.000 0.465 149 R C -0.294 176.024 176.300 0.029 0.000 0.725 149 R CA 1.415 57.507 56.100 -0.013 0.000 1.545 149 R CB -1.288 28.959 30.300 -0.088 0.000 2.197 149 R HN 0.336 nan 8.270 nan 0.000 0.438 150 D N 0.244 120.802 120.400 0.263 0.000 2.908 150 D HA 0.255 4.898 4.640 0.004 0.000 0.361 150 D C -0.757 175.595 176.300 0.088 0.000 1.416 150 D CA -0.165 53.925 54.000 0.150 0.000 0.796 150 D CB 0.411 41.239 40.800 0.048 0.000 1.185 150 D HN 0.087 nan 8.370 nan 0.000 0.451 151 L N 2.012 123.171 121.223 -0.108 0.000 2.410 151 L HA 0.271 4.614 4.340 0.004 0.000 0.273 151 L C 0.334 177.039 176.870 -0.276 0.000 1.144 151 L CA 0.487 55.092 54.840 -0.392 0.000 0.863 151 L CB 0.322 42.160 42.059 -0.367 0.000 1.140 151 L HN 0.159 nan 8.230 nan 0.000 0.463 152 K N 2.649 122.815 120.400 -0.391 0.000 2.607 152 K HA 0.396 4.719 4.320 0.004 0.000 0.287 152 K C -2.801 173.497 176.600 -0.502 0.000 0.996 152 K CA -1.499 54.393 56.287 -0.657 0.000 0.876 152 K CB 1.259 33.356 32.500 -0.673 0.000 1.496 152 K HN -0.066 nan 8.250 nan 0.000 0.415 153 P HA -0.269 nan 4.420 nan 0.000 0.216 153 P C 1.297 178.473 177.300 -0.207 0.000 1.154 153 P CA 2.108 65.037 63.100 -0.285 0.000 0.865 153 P CB 0.023 31.602 31.700 -0.202 0.000 0.789 154 S N -2.059 113.519 115.700 -0.204 0.000 2.547 154 S HA -0.062 4.410 4.470 0.004 0.000 0.235 154 S C 1.293 175.816 174.600 -0.129 0.000 0.980 154 S CA 0.849 58.969 58.200 -0.134 0.000 0.941 154 S CB -1.341 61.791 63.200 -0.112 0.000 0.763 154 S HN 0.235 nan 8.310 nan 0.000 0.532 155 N N 0.290 118.888 118.700 -0.170 0.000 2.234 155 N HA 0.367 5.109 4.740 0.004 0.000 0.227 155 N C -1.180 174.226 175.510 -0.173 0.000 1.151 155 N CA -0.133 52.827 53.050 -0.149 0.000 0.865 155 N CB 0.511 38.909 38.487 -0.148 0.000 1.066 155 N HN 0.339 nan 8.380 nan 0.000 0.515 156 L N 1.269 122.390 121.223 -0.169 0.000 2.343 156 L HA 0.605 4.948 4.340 0.004 0.000 0.278 156 L C -0.331 176.467 176.870 -0.121 0.000 0.996 156 L CA -0.833 53.907 54.840 -0.168 0.000 0.831 156 L CB 1.684 43.628 42.059 -0.192 0.000 1.232 156 L HN -0.070 nan 8.230 nan 0.000 0.413 157 A N 3.882 126.641 122.820 -0.102 0.000 2.331 157 A HA 0.763 5.086 4.320 0.004 0.000 0.283 157 A C -0.366 177.166 177.584 -0.087 0.000 1.142 157 A CA -0.324 51.669 52.037 -0.074 0.000 0.812 157 A CB 0.952 19.922 19.000 -0.051 0.000 1.074 157 A HN 0.442 nan 8.150 nan 0.000 0.497 158 V N 3.625 123.497 119.914 -0.071 0.000 2.760 158 V HA 0.354 4.477 4.120 0.004 0.000 0.309 158 V C -0.496 175.568 176.094 -0.050 0.000 1.077 158 V CA -0.936 61.319 62.300 -0.075 0.000 0.910 158 V CB 1.956 33.731 31.823 -0.079 0.000 1.008 158 V HN 1.123 nan 8.190 nan 0.000 0.424 159 N N 2.570 121.244 118.700 -0.045 0.000 2.530 159 N HA 0.299 5.042 4.740 0.004 0.000 0.283 159 N C 0.647 176.147 175.510 -0.016 0.000 1.238 159 N CA -0.674 52.361 53.050 -0.024 0.000 0.971 159 N CB 0.695 39.169 38.487 -0.020 0.000 1.195 159 N HN 0.536 nan 8.380 nan 0.000 0.583 160 E N -0.892 119.305 120.200 -0.006 0.000 2.267 160 E HA -0.137 4.216 4.350 0.004 0.000 0.197 160 E C -0.166 176.434 176.600 -0.000 0.000 0.998 160 E CA 1.428 57.825 56.400 -0.004 0.000 0.830 160 E CB -0.282 29.421 29.700 0.004 0.000 0.751 160 E HN 0.566 nan 8.360 nan 0.000 0.491 161 D N -0.616 119.794 120.400 0.017 0.000 2.395 161 D HA 0.107 4.749 4.640 0.004 0.000 0.226 161 D C -0.224 176.143 176.300 0.110 0.000 1.146 161 D CA -0.075 53.953 54.000 0.046 0.000 0.830 161 D CB 0.056 40.889 40.800 0.055 0.000 0.958 161 D HN 0.094 nan 8.370 nan 0.000 0.501 162 C N 1.863 121.194 119.300 0.052 0.000 4.331 162 C HA -0.173 4.290 4.460 0.004 0.000 0.293 162 C C 0.469 175.468 174.990 0.016 0.000 1.436 162 C CA 0.210 59.261 59.018 0.055 0.000 1.993 162 C CB -2.044 25.786 27.740 0.149 0.000 1.266 162 C HN 0.350 nan 8.230 nan 0.000 0.795 163 E N 0.054 120.253 120.200 -0.001 0.000 2.229 163 E HA 0.506 4.858 4.350 0.004 0.000 0.283 163 E C -0.047 176.464 176.600 -0.149 0.000 1.030 163 E CA -0.252 56.097 56.400 -0.085 0.000 0.836 163 E CB 1.493 31.184 29.700 -0.015 0.000 1.068 163 E HN 0.646 nan 8.360 nan 0.000 0.401 164 L N 2.564 123.650 121.223 -0.228 0.000 2.334 164 L HA 0.500 4.843 4.340 0.004 0.000 0.273 164 L C -0.918 175.851 176.870 -0.168 0.000 1.013 164 L CA -0.625 54.095 54.840 -0.201 0.000 0.816 164 L CB 1.170 43.077 42.059 -0.253 0.000 1.278 164 L HN 0.366 nan 8.230 nan 0.000 0.431 165 K N 5.043 125.360 120.400 -0.138 0.000 2.443 165 K HA 0.506 4.829 4.320 0.004 0.000 0.252 165 K C -1.306 175.219 176.600 -0.124 0.000 0.933 165 K CA -0.623 55.599 56.287 -0.109 0.000 0.792 165 K CB 2.289 34.747 32.500 -0.070 0.000 1.185 165 K HN 0.552 nan 8.250 nan 0.000 0.425 166 I N 5.887 126.373 120.570 -0.140 0.000 2.371 166 I HA 0.223 4.395 4.170 0.004 0.000 0.290 166 I C 0.119 176.154 176.117 -0.136 0.000 1.028 166 I CA -0.456 60.718 61.300 -0.209 0.000 1.345 166 I CB 0.441 38.254 38.000 -0.311 0.000 1.407 166 I HN 0.326 nan 8.210 nan 0.000 0.501 167 L N 2.709 123.862 121.223 -0.117 0.000 2.205 167 L HA 0.657 5.000 4.340 0.004 0.000 0.242 167 L C -0.327 176.552 176.870 0.015 0.000 1.115 167 L CA -0.787 54.055 54.840 0.003 0.000 0.987 167 L CB 0.471 42.555 42.059 0.041 0.000 1.568 167 L HN 0.449 nan 8.230 nan 0.000 0.450 168 D N 0.186 120.628 120.400 0.069 0.000 2.723 168 D HA -0.190 4.453 4.640 0.004 0.000 0.236 168 D C -0.395 175.851 176.300 -0.090 0.000 1.138 168 D CA 0.745 54.743 54.000 -0.002 0.000 0.676 168 D CB -1.156 39.613 40.800 -0.051 0.000 1.069 168 D HN 0.383 nan 8.370 nan 0.000 0.430 169 F N 0.301 120.101 119.950 -0.251 0.000 2.623 169 F HA 0.105 4.635 4.527 0.004 0.000 0.386 169 F C 2.210 177.715 175.800 -0.491 0.000 1.068 169 F CA 1.120 58.758 58.000 -0.603 0.000 1.265 169 F CB 0.263 39.073 39.000 -0.317 0.000 1.026 169 F HN 0.077 nan 8.300 nan 0.000 0.568 170 G N 4.817 113.314 108.800 -0.505 0.000 2.701 170 G HA2 -0.205 3.758 3.960 0.004 0.000 0.215 170 G HA3 -0.205 3.758 3.960 0.004 0.000 0.215 170 G C 0.458 175.301 174.900 -0.095 0.000 1.297 170 G CA 0.437 45.407 45.100 -0.217 0.000 0.807 170 G HN 0.793 nan 8.290 nan 0.000 0.608 171 L N -1.527 119.675 121.223 -0.035 0.000 2.972 171 L HA 0.171 4.514 4.340 0.004 0.000 0.312 171 L C 1.001 177.891 176.870 0.033 0.000 1.169 171 L CA 0.553 55.409 54.840 0.027 0.000 0.873 171 L CB -0.742 41.361 42.059 0.074 0.000 1.237 171 L HN 1.212 nan 8.230 nan 0.000 0.510 172 A N 1.576 124.443 122.820 0.078 0.000 3.066 172 A HA -0.113 4.210 4.320 0.004 0.000 0.203 172 A C 0.791 178.446 177.584 0.119 0.000 0.667 172 A CA 0.109 52.188 52.037 0.070 0.000 1.981 172 A CB -0.772 18.229 19.000 0.001 0.000 0.890 172 A HN 0.731 nan 8.150 nan 0.000 0.627 173 R N 0.603 121.152 120.500 0.082 0.000 2.404 173 R HA 0.568 4.911 4.340 0.004 0.000 0.291 173 R C -1.194 175.209 176.300 0.171 0.000 1.025 173 R CA -0.267 55.885 56.100 0.087 0.000 0.991 173 R CB 0.510 30.781 30.300 -0.048 0.000 1.053 173 R HN 0.590 nan 8.270 nan 0.000 0.479 174 H N 0.426 119.462 119.070 -0.057 0.000 2.716 174 H HA 0.156 4.714 4.556 0.004 0.000 0.260 174 H C -0.418 174.890 175.328 -0.034 0.000 1.280 174 H CA -0.416 55.611 56.048 -0.036 0.000 1.506 174 H CB 1.033 30.779 29.762 -0.028 0.000 1.514 174 H HN 0.432 nan 8.280 nan 0.000 0.502 175 T N 0.554 115.117 114.554 0.016 0.000 4.492 175 T HA -0.041 4.311 4.350 0.004 0.000 0.222 175 T C 0.559 175.264 174.700 0.007 0.000 0.836 175 T CA -0.153 61.945 62.100 -0.003 0.000 0.900 175 T CB -0.338 68.504 68.868 -0.044 0.000 1.399 175 T HN 0.519 nan 8.240 nan 0.000 0.877 176 D N 1.457 121.877 120.400 0.034 0.000 2.357 176 D HA -0.005 4.638 4.640 0.004 0.000 0.242 176 D C 0.664 176.977 176.300 0.021 0.000 1.153 176 D CA -0.013 54.005 54.000 0.031 0.000 0.918 176 D CB 0.596 41.420 40.800 0.039 0.000 1.181 176 D HN 0.265 nan 8.370 nan 0.000 0.435 177 D N 0.974 121.386 120.400 0.021 0.000 3.028 177 D HA -0.217 4.426 4.640 0.004 0.000 0.211 177 D C 0.313 176.620 176.300 0.011 0.000 1.136 177 D CA 1.184 55.194 54.000 0.016 0.000 0.987 177 D CB -0.430 40.376 40.800 0.011 0.000 1.128 177 D HN 0.627 nan 8.370 nan 0.000 0.406 178 E N -1.301 118.901 120.200 0.003 0.000 2.526 178 E HA 0.151 4.504 4.350 0.004 0.000 0.208 178 E C 1.577 178.150 176.600 -0.046 0.000 0.997 178 E CA -0.100 56.286 56.400 -0.024 0.000 0.961 178 E CB 0.407 30.089 29.700 -0.031 0.000 1.030 178 E HN 0.151 nan 8.360 nan 0.000 0.483 179 M N 0.446 120.043 119.600 -0.005 0.000 2.383 179 M HA 0.164 4.647 4.480 0.004 0.000 0.247 179 M C 0.244 176.590 176.300 0.077 0.000 1.117 179 M CA 0.514 55.805 55.300 -0.016 0.000 0.995 179 M CB 0.193 32.813 32.600 0.033 0.000 1.480 179 M HN -0.204 nan 8.290 nan 0.000 0.485 180 T N 1.306 115.910 114.554 0.083 0.000 2.856 180 T HA 0.572 4.925 4.350 0.004 0.000 0.292 180 T C 0.837 175.583 174.700 0.077 0.000 0.980 180 T CA 0.641 62.811 62.100 0.116 0.000 1.091 180 T CB 1.383 70.292 68.868 0.068 0.000 0.936 180 T HN 0.660 nan 8.240 nan 0.000 0.503 181 G N 1.973 110.848 108.800 0.125 0.000 2.593 181 G HA2 -0.257 3.706 3.960 0.004 0.000 0.237 181 G HA3 -0.257 3.706 3.960 0.004 0.000 0.237 181 G C -0.541 174.474 174.900 0.191 0.000 1.312 181 G CA -0.479 44.709 45.100 0.147 0.000 0.896 181 G HN 0.754 nan 8.290 nan 0.000 0.574 182 Y N 1.648 122.012 120.300 0.107 0.000 2.603 182 Y HA 0.440 4.993 4.550 0.004 0.000 0.341 182 Y C 1.073 176.972 175.900 -0.002 0.000 1.272 182 Y CA -0.032 58.200 58.100 0.222 0.000 1.891 182 Y CB -0.413 38.195 38.460 0.246 0.000 1.910 182 Y HN 1.001 nan 8.280 nan 0.000 0.432 183 V N 0.934 120.571 119.914 -0.461 0.000 2.495 183 V HA 0.737 4.860 4.120 0.004 0.000 0.298 183 V C 0.776 175.869 176.094 -1.668 0.000 1.031 183 V CA -0.289 61.520 62.300 -0.819 0.000 0.871 183 V CB 1.111 32.689 31.823 -0.408 0.000 0.988 183 V HN 0.500 nan 8.190 nan 0.000 0.432 184 A N 3.205 125.051 122.820 -1.623 0.000 2.070 184 A HA -0.088 4.234 4.320 0.004 0.000 0.220 184 A C 2.136 179.448 177.584 -0.453 0.000 1.159 184 A CA 2.305 53.600 52.037 -1.237 0.000 0.656 184 A CB -0.931 17.797 19.000 -0.453 0.000 0.800 184 A HN 1.514 nan 8.150 nan 0.000 0.453 185 T N -3.165 111.140 114.554 -0.415 0.000 2.977 185 T HA -0.105 4.248 4.350 0.004 0.000 0.271 185 T C 1.768 176.378 174.700 -0.150 0.000 1.105 185 T CA 1.446 63.424 62.100 -0.202 0.000 1.116 185 T CB -0.173 68.582 68.868 -0.189 0.000 0.878 185 T HN 0.513 nan 8.240 nan 0.000 0.509 186 R N -1.459 118.877 120.500 -0.273 0.000 2.279 186 R HA 0.161 4.503 4.340 0.004 0.000 0.195 186 R C 1.439 177.738 176.300 -0.002 0.000 0.905 186 R CA -0.101 55.892 56.100 -0.180 0.000 1.044 186 R CB 0.144 30.272 30.300 -0.287 0.000 1.056 186 R HN 0.386 nan 8.270 nan 0.000 0.535 187 W N 0.157 121.394 121.300 -0.105 0.000 2.421 187 W HA -0.123 4.540 4.660 0.005 0.000 0.270 187 W C 0.701 177.010 176.519 -0.350 0.000 1.233 187 W CA 0.639 57.830 57.345 -0.256 0.000 1.226 187 W CB -0.550 28.641 29.460 -0.449 0.000 1.121 187 W HN 0.160 nan 8.180 nan 0.000 0.579 188 Y N -0.726 119.733 120.300 0.265 0.000 2.458 188 Y HA 0.256 4.809 4.550 0.005 0.000 0.256 188 Y C 1.208 177.251 175.900 0.238 0.000 1.159 188 Y CA -0.533 57.712 58.100 0.242 0.000 1.261 188 Y CB -0.381 38.153 38.460 0.124 0.000 1.119 188 Y HN -0.374 nan 8.280 nan 0.000 0.524 189 R N 1.438 122.064 120.500 0.211 0.000 2.389 189 R HA 0.480 4.823 4.340 0.004 0.000 0.295 189 R C 0.286 176.503 176.300 -0.138 0.000 1.075 189 R CA -0.286 55.831 56.100 0.028 0.000 1.005 189 R CB 0.765 31.004 30.300 -0.102 0.000 0.987 189 R HN 0.174 nan 8.270 nan 0.000 0.452 190 A N 5.648 128.284 122.820 -0.307 0.000 2.498 190 A HA 0.126 4.449 4.320 0.004 0.000 0.239 190 A C -1.266 175.844 177.584 -0.791 0.000 1.068 190 A CA -1.152 50.374 52.037 -0.851 0.000 0.766 190 A CB 0.073 18.773 19.000 -0.501 0.000 1.003 190 A HN 0.551 nan 8.150 nan 0.000 0.497 191 P HA -0.244 nan 4.420 nan 0.000 0.216 191 P C 1.112 177.742 177.300 -1.117 0.000 1.150 191 P CA 1.740 64.243 63.100 -0.995 0.000 0.843 191 P CB 0.035 31.120 31.700 -1.024 0.000 0.787 192 E N 0.267 120.016 120.200 -0.752 0.000 2.204 192 E HA -0.148 4.205 4.350 0.004 0.000 0.194 192 E C 2.108 178.554 176.600 -0.258 0.000 0.989 192 E CA 0.844 57.019 56.400 -0.375 0.000 0.824 192 E CB -1.017 28.706 29.700 0.039 0.000 0.756 192 E HN 0.338 nan 8.360 nan 0.000 0.477 193 I N -0.566 119.828 120.570 -0.293 0.000 3.035 193 I HA 0.019 4.192 4.170 0.004 0.000 0.271 193 I C 2.534 178.512 176.117 -0.232 0.000 1.190 193 I CA 0.163 61.345 61.300 -0.197 0.000 1.472 193 I CB 0.073 37.833 38.000 -0.400 0.000 1.116 193 I HN 0.015 nan 8.210 nan 0.000 0.443 194 M N -0.052 119.343 119.600 -0.340 0.000 2.254 194 M HA -0.099 4.383 4.480 0.004 0.000 0.265 194 M C 0.739 176.929 176.300 -0.183 0.000 1.066 194 M CA 1.505 56.641 55.300 -0.272 0.000 1.123 194 M CB 0.272 32.661 32.600 -0.352 0.000 1.388 194 M HN 0.239 nan 8.290 nan 0.000 0.425 195 L N 0.136 121.142 121.223 -0.362 0.000 2.906 195 L HA 0.284 4.626 4.340 0.004 0.000 0.255 195 L C -0.134 176.645 176.870 -0.151 0.000 1.166 195 L CA 0.417 55.098 54.840 -0.265 0.000 0.977 195 L CB -0.971 40.812 42.059 -0.459 0.000 1.313 195 L HN 0.334 nan 8.230 nan 0.000 0.549 196 N N -0.935 117.682 118.700 -0.137 0.000 2.667 196 N HA -0.265 4.478 4.740 0.004 0.000 0.263 196 N C 0.500 176.083 175.510 0.122 0.000 1.038 196 N CA 0.341 53.386 53.050 -0.008 0.000 0.749 196 N CB -0.424 38.064 38.487 0.001 0.000 0.892 196 N HN 0.309 nan 8.380 nan 0.000 0.546 197 W N 0.157 121.438 121.300 -0.031 0.000 2.409 197 W HA 0.125 4.788 4.660 0.005 0.000 0.299 197 W C 1.491 177.982 176.519 -0.047 0.000 1.203 197 W CA 0.856 58.182 57.345 -0.032 0.000 1.298 197 W CB -0.285 29.157 29.460 -0.030 0.000 1.127 197 W HN 0.411 nan 8.180 nan 0.000 0.528 198 M N -2.260 117.459 119.600 0.198 0.000 3.213 198 M HA 0.345 4.827 4.480 0.004 0.000 0.278 198 M C -0.839 175.444 176.300 -0.028 0.000 1.332 198 M CA -0.732 54.608 55.300 0.066 0.000 0.810 198 M CB 1.876 34.553 32.600 0.129 0.000 1.676 198 M HN -0.279 nan 8.290 nan 0.000 0.463 199 H N 1.942 121.023 119.070 0.018 0.000 2.767 199 H HA 0.289 4.848 4.556 0.004 0.000 0.316 199 H C -1.240 174.064 175.328 -0.041 0.000 1.059 199 H CA 0.444 56.437 56.048 -0.091 0.000 1.461 199 H CB 0.131 29.824 29.762 -0.114 0.000 1.475 199 H HN 0.553 nan 8.280 nan 0.000 0.531 200 Y N 2.138 122.489 120.300 0.085 0.000 2.309 200 Y HA 0.163 4.716 4.550 0.004 0.000 0.327 200 Y C 0.467 176.392 175.900 0.042 0.000 1.172 200 Y CA -1.321 56.805 58.100 0.044 0.000 1.280 200 Y CB 0.381 38.840 38.460 -0.001 0.000 1.234 200 Y HN 0.526 nan 8.280 nan 0.000 0.512 201 N N 1.733 120.582 118.700 0.247 0.000 2.643 201 N HA 0.136 4.878 4.740 0.004 0.000 0.305 201 N C 0.370 175.949 175.510 0.114 0.000 1.283 201 N CA -0.524 52.609 53.050 0.138 0.000 0.946 201 N CB 0.314 38.843 38.487 0.069 0.000 1.149 201 N HN 0.840 nan 8.380 nan 0.000 0.600 202 Q N -0.963 118.820 119.800 -0.030 0.000 2.226 202 Q HA -0.076 4.266 4.340 0.004 0.000 0.204 202 Q C 1.065 176.976 176.000 -0.148 0.000 0.975 202 Q CA 1.865 57.528 55.803 -0.232 0.000 0.866 202 Q CB -0.548 27.822 28.738 -0.612 0.000 0.915 202 Q HN 0.876 nan 8.270 nan 0.000 0.440 203 T N -1.278 113.266 114.554 -0.018 0.000 3.163 203 T HA -0.003 4.350 4.350 0.004 0.000 0.260 203 T C 1.897 176.683 174.700 0.143 0.000 1.156 203 T CA 0.751 62.901 62.100 0.083 0.000 1.072 203 T CB -0.514 68.416 68.868 0.103 0.000 0.937 203 T HN 0.247 nan 8.240 nan 0.000 0.528 204 V N -0.503 119.474 119.914 0.104 0.000 2.626 204 V HA -0.093 4.029 4.120 0.004 0.000 0.252 204 V C 2.039 178.221 176.094 0.147 0.000 1.067 204 V CA 1.586 63.933 62.300 0.078 0.000 1.081 204 V CB -0.654 31.121 31.823 -0.080 0.000 0.686 204 V HN 0.229 nan 8.190 nan 0.000 0.468 205 D N 0.627 121.125 120.400 0.165 0.000 2.183 205 D HA -0.016 4.627 4.640 0.004 0.000 0.203 205 D C 2.177 178.578 176.300 0.168 0.000 0.969 205 D CA 1.177 55.282 54.000 0.175 0.000 0.842 205 D CB -0.041 40.924 40.800 0.276 0.000 0.957 205 D HN 0.401 nan 8.370 nan 0.000 0.484 206 I N 0.361 121.054 120.570 0.206 0.000 2.315 206 I HA -0.201 3.972 4.170 0.004 0.000 0.248 206 I C 2.331 178.553 176.117 0.176 0.000 1.117 206 I CA 0.626 62.024 61.300 0.164 0.000 1.404 206 I CB -0.905 37.194 38.000 0.164 0.000 1.071 206 I HN 0.276 nan 8.210 nan 0.000 0.419 207 W N 2.141 123.483 121.300 0.070 0.000 2.358 207 W HA -0.205 4.458 4.660 0.004 0.000 0.303 207 W C 2.460 179.041 176.519 0.102 0.000 1.208 207 W CA 1.658 59.054 57.345 0.085 0.000 1.274 207 W CB -0.241 29.255 29.460 0.060 0.000 1.138 207 W HN 0.091 nan 8.180 nan 0.000 0.515 208 S N 0.853 116.735 115.700 0.303 0.000 2.368 208 S HA -0.190 4.282 4.470 0.004 0.000 0.225 208 S C 1.847 176.504 174.600 0.095 0.000 1.030 208 S CA 1.737 60.073 58.200 0.227 0.000 0.999 208 S CB -0.750 62.543 63.200 0.155 0.000 0.844 208 S HN 0.128 nan 8.310 nan 0.000 0.459 209 V N 1.775 121.706 119.914 0.028 0.000 2.407 209 V HA -0.133 3.990 4.120 0.004 0.000 0.248 209 V C 2.625 178.694 176.094 -0.043 0.000 1.055 209 V CA 1.826 64.113 62.300 -0.022 0.000 1.049 209 V CB -1.575 30.231 31.823 -0.029 0.000 0.662 209 V HN 0.582 nan 8.190 nan 0.000 0.455 210 G N -0.886 107.860 108.800 -0.090 0.000 2.421 210 G HA2 -0.268 3.695 3.960 0.004 0.000 0.216 210 G HA3 -0.268 3.695 3.960 0.004 0.000 0.216 210 G C 1.714 176.507 174.900 -0.179 0.000 1.171 210 G CA 1.374 46.369 45.100 -0.175 0.000 0.775 210 G HN 0.548 nan 8.290 nan 0.000 0.543 211 C N 0.259 119.477 119.300 -0.136 0.000 2.425 211 C HA 0.090 4.553 4.460 0.004 0.000 0.277 211 C C 2.827 177.839 174.990 0.037 0.000 1.280 211 C CA 0.342 59.319 59.018 -0.069 0.000 1.744 211 C CB -0.968 26.808 27.740 0.059 0.000 1.989 211 C HN 0.462 nan 8.230 nan 0.000 0.491 212 I N 0.383 121.017 120.570 0.106 0.000 2.193 212 I HA -0.246 3.927 4.170 0.004 0.000 0.240 212 I C 2.652 178.768 176.117 -0.002 0.000 1.084 212 I CA 1.601 62.955 61.300 0.090 0.000 1.365 212 I CB -0.484 37.523 38.000 0.013 0.000 1.064 212 I HN 0.321 nan 8.210 nan 0.000 0.410 213 M N 1.042 120.613 119.600 -0.048 0.000 2.073 213 M HA -0.296 4.187 4.480 0.004 0.000 0.258 213 M C 2.439 178.646 176.300 -0.155 0.000 1.070 213 M CA 2.555 57.806 55.300 -0.081 0.000 1.103 213 M CB -0.215 32.317 32.600 -0.113 0.000 1.321 213 M HN 0.267 nan 8.290 nan 0.000 0.405 214 A N -0.225 122.449 122.820 -0.243 0.000 1.892 214 A HA -0.284 4.039 4.320 0.004 0.000 0.218 214 A C 1.987 179.498 177.584 -0.122 0.000 1.188 214 A CA 2.246 54.093 52.037 -0.317 0.000 0.631 214 A CB -1.122 17.715 19.000 -0.273 0.000 0.822 214 A HN 0.762 nan 8.150 nan 0.000 0.447 215 E N -0.379 119.780 120.200 -0.069 0.000 2.153 215 E HA -0.131 4.222 4.350 0.004 0.000 0.194 215 E C 1.850 178.451 176.600 0.001 0.000 0.988 215 E CA 0.870 57.259 56.400 -0.018 0.000 0.811 215 E CB -0.172 29.555 29.700 0.044 0.000 0.746 215 E HN 0.657 nan 8.360 nan 0.000 0.466 216 L N 0.289 121.510 121.223 -0.004 0.000 2.217 216 L HA -0.116 4.226 4.340 0.004 0.000 0.211 216 L C 2.285 179.167 176.870 0.020 0.000 1.107 216 L CA 0.495 55.346 54.840 0.019 0.000 0.783 216 L CB -0.153 41.925 42.059 0.031 0.000 0.919 216 L HN 0.255 nan 8.230 nan 0.000 0.442 217 L N -0.783 120.430 121.223 -0.017 0.000 2.095 217 L HA -0.105 4.238 4.340 0.004 0.000 0.204 217 L C 2.681 179.563 176.870 0.020 0.000 1.080 217 L CA 1.715 56.548 54.840 -0.011 0.000 0.759 217 L CB -0.610 41.393 42.059 -0.093 0.000 0.914 217 L HN 0.362 nan 8.230 nan 0.000 0.439 218 T N -4.320 110.250 114.554 0.027 0.000 3.044 218 T HA 0.197 4.550 4.350 0.004 0.000 0.255 218 T C 1.518 176.227 174.700 0.014 0.000 1.073 218 T CA 0.599 62.720 62.100 0.036 0.000 1.125 218 T CB 0.549 69.447 68.868 0.050 0.000 0.908 218 T HN 0.423 nan 8.240 nan 0.000 0.480 219 G N 1.722 110.529 108.800 0.012 0.000 2.157 219 G HA2 -0.183 3.779 3.960 0.004 0.000 0.248 219 G HA3 -0.183 3.779 3.960 0.004 0.000 0.248 219 G C 0.053 174.953 174.900 0.000 0.000 0.979 219 G CA -0.145 44.963 45.100 0.013 0.000 0.650 219 G HN 0.672 nan 8.290 nan 0.000 0.529 220 R N 0.150 120.636 120.500 -0.023 0.000 2.803 220 R HA 0.599 4.942 4.340 0.004 0.000 0.276 220 R C -0.053 176.187 176.300 -0.100 0.000 0.978 220 R CA -0.411 55.654 56.100 -0.060 0.000 0.939 220 R CB 0.680 30.928 30.300 -0.086 0.000 1.179 220 R HN 0.147 nan 8.270 nan 0.000 0.472 221 T N 2.289 116.749 114.554 -0.157 0.000 2.916 221 T HA 0.015 4.368 4.350 0.004 0.000 0.303 221 T C 1.526 176.011 174.700 -0.358 0.000 1.025 221 T CA -0.292 61.656 62.100 -0.254 0.000 1.142 221 T CB 0.638 69.228 68.868 -0.463 0.000 0.947 221 T HN 0.378 nan 8.240 nan 0.000 0.544 222 L N 2.255 123.220 121.223 -0.430 0.000 2.044 222 L HA 0.283 4.626 4.340 0.004 0.000 0.205 222 L C 0.320 176.675 176.870 -0.858 0.000 1.075 222 L CA 1.609 56.043 54.840 -0.677 0.000 0.747 222 L CB -0.161 41.389 42.059 -0.847 0.000 0.903 222 L HN 0.687 nan 8.230 nan 0.000 0.435 223 F N 1.169 120.941 119.950 -0.298 0.000 2.531 223 F HA 0.382 4.911 4.527 0.004 0.000 0.333 223 F C -2.024 173.443 175.800 -0.555 0.000 1.292 223 F CA -1.607 56.230 58.000 -0.272 0.000 1.184 223 F CB 0.551 39.499 39.000 -0.086 0.000 1.426 223 F HN 0.000 nan 8.300 nan 0.000 0.559 224 P HA 0.109 nan 4.420 nan 0.000 0.220 224 P C 0.599 177.657 177.300 -0.402 0.000 1.806 224 P CA 0.248 62.518 63.100 -1.384 0.000 0.976 224 P CB 0.182 31.247 31.700 -1.058 0.000 1.952 225 G N 1.071 109.827 108.800 -0.073 0.000 2.491 225 G HA2 0.183 4.145 3.960 0.004 0.000 0.242 225 G HA3 0.183 4.145 3.960 0.004 0.000 0.242 225 G C 1.162 176.361 174.900 0.499 0.000 1.266 225 G CA -0.158 45.082 45.100 0.233 0.000 0.844 225 G HN 0.312 nan 8.290 nan 0.000 0.571 226 T N -1.892 112.898 114.554 0.394 0.000 3.113 226 T HA 0.193 4.546 4.350 0.004 0.000 0.256 226 T C 0.423 175.299 174.700 0.294 0.000 1.131 226 T CA 0.806 63.159 62.100 0.420 0.000 1.074 226 T CB -0.359 68.629 68.868 0.200 0.000 0.944 226 T HN 0.809 nan 8.240 nan 0.000 0.516 227 D N -2.197 118.346 120.400 0.238 0.000 2.738 227 D HA 0.166 4.808 4.640 0.004 0.000 0.308 227 D C 0.451 176.857 176.300 0.178 0.000 1.311 227 D CA -0.918 53.207 54.000 0.208 0.000 0.799 227 D CB 0.065 40.971 40.800 0.177 0.000 1.332 227 D HN -0.043 nan 8.370 nan 0.000 0.441 228 H N -0.556 118.534 119.070 0.033 0.000 2.319 228 H HA -0.105 4.454 4.556 0.004 0.000 0.297 228 H C 1.482 176.810 175.328 -0.000 0.000 1.097 228 H CA 1.565 57.609 56.048 -0.007 0.000 1.285 228 H CB 0.062 29.794 29.762 -0.050 0.000 1.368 228 H HN 0.321 nan 8.280 nan 0.000 0.495 229 I N 0.812 121.471 120.570 0.148 0.000 2.233 229 I HA -0.180 3.993 4.170 0.004 0.000 0.243 229 I C 2.313 178.503 176.117 0.123 0.000 1.093 229 I CA 1.085 62.456 61.300 0.119 0.000 1.380 229 I CB -1.140 36.909 38.000 0.081 0.000 1.067 229 I HN 0.190 nan 8.210 nan 0.000 0.413 230 D N 0.718 121.187 120.400 0.116 0.000 2.116 230 D HA -0.285 4.358 4.640 0.004 0.000 0.193 230 D C 2.266 178.625 176.300 0.099 0.000 0.998 230 D CA 1.585 55.650 54.000 0.108 0.000 0.836 230 D CB -0.017 40.854 40.800 0.118 0.000 0.951 230 D HN 0.341 nan 8.370 nan 0.000 0.449 231 Q N -0.815 119.044 119.800 0.097 0.000 2.124 231 Q HA -0.149 4.194 4.340 0.004 0.000 0.202 231 Q C 2.172 178.166 176.000 -0.010 0.000 0.977 231 Q CA 1.029 56.870 55.803 0.064 0.000 0.850 231 Q CB -0.203 28.572 28.738 0.061 0.000 0.901 231 Q HN 0.394 nan 8.270 nan 0.000 0.429 232 L N 0.801 122.024 121.223 0.000 0.000 2.141 232 L HA -0.135 4.208 4.340 0.004 0.000 0.209 232 L C 1.758 178.647 176.870 0.032 0.000 1.094 232 L CA 1.770 56.601 54.840 -0.016 0.000 0.763 232 L CB -0.184 41.920 42.059 0.075 0.000 0.908 232 L HN 0.047 nan 8.230 nan 0.000 0.437 233 K N -0.672 119.771 120.400 0.072 0.000 2.062 233 K HA -0.076 4.247 4.320 0.004 0.000 0.205 233 K C 2.071 178.711 176.600 0.066 0.000 1.051 233 K CA 1.500 57.833 56.287 0.076 0.000 0.941 233 K CB -0.273 32.279 32.500 0.086 0.000 0.719 233 K HN 0.342 nan 8.250 nan 0.000 0.440 234 L N 0.902 122.171 121.223 0.077 0.000 2.042 234 L HA -0.216 4.127 4.340 0.004 0.000 0.210 234 L C 2.360 179.334 176.870 0.173 0.000 1.076 234 L CA 1.224 56.153 54.840 0.148 0.000 0.749 234 L CB -0.472 41.720 42.059 0.222 0.000 0.893 234 L HN 0.181 nan 8.230 nan 0.000 0.432 235 I N -0.299 120.213 120.570 -0.097 0.000 2.142 235 I HA -0.320 3.853 4.170 0.004 0.000 0.240 235 I C 2.412 178.550 176.117 0.037 0.000 1.078 235 I CA 1.396 62.498 61.300 -0.329 0.000 1.343 235 I CB -0.260 37.447 38.000 -0.488 0.000 1.046 235 I HN 0.189 nan 8.210 nan 0.000 0.405 236 L N 0.027 121.282 121.223 0.053 0.000 2.191 236 L HA -0.196 4.147 4.340 0.004 0.000 0.212 236 L C 2.706 179.636 176.870 0.101 0.000 1.103 236 L CA 1.096 55.995 54.840 0.098 0.000 0.769 236 L CB -0.614 41.496 42.059 0.086 0.000 0.908 236 L HN 0.222 nan 8.230 nan 0.000 0.438 237 R N 0.076 120.631 120.500 0.092 0.000 2.096 237 R HA -0.192 4.151 4.340 0.004 0.000 0.235 237 R C 2.235 178.583 176.300 0.079 0.000 1.127 237 R CA 1.435 57.579 56.100 0.073 0.000 0.968 237 R CB -0.094 30.241 30.300 0.058 0.000 0.861 237 R HN 0.227 nan 8.270 nan 0.000 0.440 238 L N -0.491 120.805 121.223 0.123 0.000 2.168 238 L HA 0.007 4.350 4.340 0.004 0.000 0.203 238 L C 1.777 178.771 176.870 0.207 0.000 1.078 238 L CA 1.317 56.211 54.840 0.091 0.000 0.780 238 L CB -0.010 42.109 42.059 0.100 0.000 0.939 238 L HN -0.114 nan 8.230 nan 0.000 0.451 239 V N 0.081 120.159 119.914 0.273 0.000 3.354 239 V HA 0.407 4.529 4.120 0.004 0.000 0.258 239 V C 0.920 177.150 176.094 0.228 0.000 1.159 239 V CA 0.693 63.192 62.300 0.332 0.000 1.125 239 V CB -0.738 31.323 31.823 0.398 0.000 0.774 239 V HN 0.735 nan 8.190 nan 0.000 0.464 240 G N 0.609 109.508 108.800 0.166 0.000 2.692 240 G HA2 -0.140 3.822 3.960 0.004 0.000 0.686 240 G HA3 -0.140 3.822 3.960 0.004 0.000 0.686 240 G C -0.135 174.823 174.900 0.095 0.000 1.243 240 G CA -0.428 44.740 45.100 0.113 0.000 0.782 240 G HN 0.572 nan 8.290 nan 0.000 0.625 241 T N 0.620 115.207 114.554 0.056 0.000 2.898 241 T HA 0.600 4.953 4.350 0.004 0.000 0.301 241 T C -1.853 172.855 174.700 0.013 0.000 1.049 241 T CA -0.689 61.428 62.100 0.029 0.000 1.095 241 T CB 1.150 70.013 68.868 -0.007 0.000 0.976 241 T HN 0.549 nan 8.240 nan 0.000 0.539 242 P HA 0.355 nan 4.420 nan 0.000 0.269 242 P C 0.433 177.700 177.300 -0.056 0.000 1.215 242 P CA -0.198 62.869 63.100 -0.055 0.000 0.780 242 P CB 0.168 31.770 31.700 -0.164 0.000 0.898 243 G N 0.105 108.880 108.800 -0.041 0.000 2.531 243 G HA2 0.438 4.400 3.960 0.004 0.000 0.313 243 G HA3 0.438 4.400 3.960 0.004 0.000 0.313 243 G C 0.939 175.807 174.900 -0.053 0.000 1.238 243 G CA -0.161 44.918 45.100 -0.036 0.000 0.994 243 G HN 0.456 nan 8.290 nan 0.000 0.493 244 A N -0.860 121.934 122.820 -0.042 0.000 1.933 244 A HA -0.051 4.271 4.320 0.004 0.000 0.218 244 A C 1.991 179.550 177.584 -0.042 0.000 1.175 244 A CA 2.122 54.131 52.037 -0.046 0.000 0.628 244 A CB -0.573 18.407 19.000 -0.033 0.000 0.814 244 A HN 0.756 nan 8.150 nan 0.000 0.444 245 E N -0.453 119.730 120.200 -0.028 0.000 2.038 245 E HA -0.201 4.152 4.350 0.004 0.000 0.195 245 E C 2.005 178.588 176.600 -0.028 0.000 1.000 245 E CA 1.311 57.700 56.400 -0.020 0.000 0.803 245 E CB -0.214 29.483 29.700 -0.005 0.000 0.750 245 E HN 0.606 nan 8.360 nan 0.000 0.448 246 L N 0.724 121.925 121.223 -0.037 0.000 2.027 246 L HA -0.186 4.156 4.340 0.004 0.000 0.206 246 L C 2.545 179.349 176.870 -0.110 0.000 1.074 246 L CA 0.905 55.712 54.840 -0.054 0.000 0.745 246 L CB -0.235 41.792 42.059 -0.053 0.000 0.898 246 L HN 0.295 nan 8.230 nan 0.000 0.433 247 L N -0.081 121.061 121.223 -0.134 0.000 2.043 247 L HA -0.321 4.022 4.340 0.004 0.000 0.212 247 L C 2.701 179.496 176.870 -0.126 0.000 1.075 247 L CA 1.549 56.286 54.840 -0.172 0.000 0.752 247 L CB -0.435 41.539 42.059 -0.141 0.000 0.891 247 L HN 0.263 nan 8.230 nan 0.000 0.432 248 K N -0.044 120.308 120.400 -0.080 0.000 2.152 248 K HA -0.221 4.102 4.320 0.004 0.000 0.206 248 K C 2.003 178.577 176.600 -0.043 0.000 1.048 248 K CA 1.398 57.653 56.287 -0.053 0.000 0.933 248 K CB -0.078 32.402 32.500 -0.033 0.000 0.721 248 K HN 0.250 nan 8.250 nan 0.000 0.447 249 K N 0.438 120.812 120.400 -0.043 0.000 2.432 249 K HA 0.069 4.391 4.320 0.004 0.000 0.196 249 K C 0.451 177.041 176.600 -0.018 0.000 1.038 249 K CA 0.246 56.524 56.287 -0.016 0.000 0.986 249 K CB 0.191 32.694 32.500 0.005 0.000 0.782 249 K HN 0.023 nan 8.250 nan 0.000 0.485 250 I N 1.727 122.248 120.570 -0.081 0.000 2.436 250 I HA -0.095 4.078 4.170 0.004 0.000 0.289 250 I C 1.251 177.341 176.117 -0.045 0.000 1.083 250 I CA -0.061 61.182 61.300 -0.095 0.000 1.372 250 I CB 1.297 39.114 38.000 -0.305 0.000 1.408 250 I HN 0.148 nan 8.210 nan 0.000 0.516 251 S N 2.632 118.336 115.700 0.007 0.000 2.481 251 S HA -0.066 4.407 4.470 0.004 0.000 0.231 251 S C 1.012 175.616 174.600 0.008 0.000 0.996 251 S CA 0.104 58.312 58.200 0.013 0.000 0.942 251 S CB -0.051 63.169 63.200 0.034 0.000 0.768 251 S HN 0.615 nan 8.310 nan 0.000 0.520 252 S N 0.987 116.694 115.700 0.011 0.000 2.475 252 S HA 0.260 4.732 4.470 0.004 0.000 0.281 252 S C 0.784 175.384 174.600 0.000 0.000 1.198 252 S CA -0.676 57.534 58.200 0.017 0.000 1.063 252 S CB 1.131 64.359 63.200 0.048 0.000 0.972 252 S HN 0.452 nan 8.310 nan 0.000 0.486 253 E N 3.577 123.778 120.200 0.001 0.000 2.204 253 E HA -0.111 4.241 4.350 0.004 0.000 0.195 253 E C 1.579 178.184 176.600 0.007 0.000 0.990 253 E CA 0.963 57.360 56.400 -0.005 0.000 0.821 253 E CB -0.098 29.602 29.700 -0.001 0.000 0.750 253 E HN 0.709 nan 8.360 nan 0.000 0.477 254 S N -0.342 115.373 115.700 0.025 0.000 2.357 254 S HA -0.077 4.396 4.470 0.004 0.000 0.221 254 S C 1.981 176.632 174.600 0.084 0.000 1.031 254 S CA 1.066 59.295 58.200 0.048 0.000 0.982 254 S CB -0.162 63.063 63.200 0.042 0.000 0.853 254 S HN 0.439 nan 8.310 nan 0.000 0.458 255 A N 2.064 124.934 122.820 0.083 0.000 1.883 255 A HA -0.142 4.181 4.320 0.004 0.000 0.217 255 A C 2.190 179.772 177.584 -0.003 0.000 1.186 255 A CA 1.526 53.635 52.037 0.120 0.000 0.624 255 A CB -0.650 18.429 19.000 0.132 0.000 0.822 255 A HN 0.564 nan 8.150 nan 0.000 0.444 256 R N -0.562 119.887 120.500 -0.085 0.000 2.083 256 R HA -0.165 4.178 4.340 0.004 0.000 0.237 256 R C 2.102 178.357 176.300 -0.074 0.000 1.137 256 R CA 1.754 57.773 56.100 -0.134 0.000 0.951 256 R CB -0.598 29.635 30.300 -0.111 0.000 0.851 256 R HN 0.703 nan 8.270 nan 0.000 0.434 257 N N -0.304 118.389 118.700 -0.012 0.000 2.069 257 N HA -0.228 4.514 4.740 0.004 0.000 0.191 257 N C 1.702 177.234 175.510 0.036 0.000 1.031 257 N CA 1.261 54.317 53.050 0.010 0.000 0.852 257 N CB -0.206 38.304 38.487 0.037 0.000 1.018 257 N HN 0.171 nan 8.380 nan 0.000 0.423 258 Y N 1.854 122.145 120.300 -0.015 0.000 2.070 258 Y HA -0.168 4.385 4.550 0.005 0.000 0.280 258 Y C 1.990 177.890 175.900 -0.001 0.000 1.148 258 Y CA 1.361 59.467 58.100 0.010 0.000 1.125 258 Y CB -0.684 37.805 38.460 0.049 0.000 0.975 258 Y HN 0.027 nan 8.280 nan 0.000 0.492 259 I N 0.491 120.934 120.570 -0.211 0.000 2.236 259 I HA -0.407 3.766 4.170 0.004 0.000 0.249 259 I C 2.263 178.222 176.117 -0.264 0.000 1.102 259 I CA 1.837 62.960 61.300 -0.294 0.000 1.365 259 I CB -0.491 37.353 38.000 -0.260 0.000 1.051 259 I HN 0.409 nan 8.210 nan 0.000 0.420 260 Q N -0.085 119.602 119.800 -0.188 0.000 2.472 260 Q HA -0.086 4.257 4.340 0.004 0.000 0.208 260 Q C 2.171 178.091 176.000 -0.134 0.000 0.958 260 Q CA 1.367 57.087 55.803 -0.138 0.000 0.932 260 Q CB 0.002 28.684 28.738 -0.094 0.000 1.007 260 Q HN 0.641 nan 8.270 nan 0.000 0.508 261 S N -0.677 114.909 115.700 -0.190 0.000 2.528 261 S HA 0.045 4.518 4.470 0.004 0.000 0.219 261 S C 0.691 175.189 174.600 -0.170 0.000 0.985 261 S CA -0.204 57.905 58.200 -0.151 0.000 0.914 261 S CB 0.158 63.283 63.200 -0.125 0.000 0.776 261 S HN 0.042 nan 8.310 nan 0.000 0.526 262 L N 2.874 123.955 121.223 -0.236 0.000 2.331 262 L HA 0.592 4.935 4.340 0.004 0.000 0.278 262 L C 0.714 177.525 176.870 -0.098 0.000 1.106 262 L CA -0.921 53.814 54.840 -0.175 0.000 0.824 262 L CB 0.024 41.959 42.059 -0.206 0.000 1.142 262 L HN 0.294 nan 8.230 nan 0.000 0.443 263 A N 4.303 127.087 122.820 -0.060 0.000 2.546 263 A HA 0.128 4.451 4.320 0.004 0.000 0.243 263 A C 0.496 178.060 177.584 -0.033 0.000 1.063 263 A CA -0.119 51.895 52.037 -0.038 0.000 0.757 263 A CB -0.256 18.730 19.000 -0.022 0.000 0.991 263 A HN 0.759 nan 8.150 nan 0.000 0.503 264 Q N 0.628 120.411 119.800 -0.028 0.000 2.394 264 Q HA 0.488 4.831 4.340 0.004 0.000 0.248 264 Q C -0.447 175.551 176.000 -0.004 0.000 0.992 264 Q CA 0.589 56.380 55.803 -0.019 0.000 0.888 264 Q CB 0.745 29.471 28.738 -0.020 0.000 1.257 264 Q HN 0.767 nan 8.270 nan 0.000 0.462 265 M N 2.509 122.114 119.600 0.009 0.000 2.433 265 M HA 0.471 4.953 4.480 0.004 0.000 0.290 265 M C -2.479 173.842 176.300 0.035 0.000 1.173 265 M CA -2.073 53.240 55.300 0.022 0.000 0.905 265 M CB 2.350 34.968 32.600 0.029 0.000 1.692 265 M HN 0.439 nan 8.290 nan 0.000 0.462 266 P HA 0.274 nan 4.420 nan 0.000 0.278 266 P C -1.200 176.145 177.300 0.075 0.000 1.266 266 P CA -0.551 62.578 63.100 0.049 0.000 0.807 266 P CB 0.942 32.666 31.700 0.039 0.000 1.094 267 K N 0.995 121.452 120.400 0.095 0.000 2.401 267 K HA 0.187 4.509 4.320 0.004 0.000 0.278 267 K C 0.600 177.291 176.600 0.151 0.000 1.018 267 K CA -0.005 56.373 56.287 0.152 0.000 0.981 267 K CB 0.190 32.780 32.500 0.151 0.000 0.933 267 K HN 0.476 nan 8.250 nan 0.000 0.477 268 M N 2.006 121.718 119.600 0.186 0.000 2.197 268 M HA 0.035 4.518 4.480 0.004 0.000 0.305 268 M C 0.656 177.092 176.300 0.226 0.000 1.162 268 M CA -0.316 55.061 55.300 0.128 0.000 1.099 268 M CB 0.477 33.089 32.600 0.021 0.000 1.430 268 M HN 0.474 nan 8.290 nan 0.000 0.481 269 N N 1.076 119.857 118.700 0.135 0.000 2.401 269 N HA 0.045 4.788 4.740 0.004 0.000 0.255 269 N C 0.048 175.682 175.510 0.207 0.000 1.110 269 N CA 0.188 53.336 53.050 0.163 0.000 0.949 269 N CB 0.353 38.883 38.487 0.072 0.000 1.110 269 N HN 0.420 nan 8.380 nan 0.000 0.490 270 F N 2.371 122.318 119.950 -0.004 0.000 2.269 270 F HA -0.050 4.480 4.527 0.004 0.000 0.301 270 F C 2.266 178.081 175.800 0.026 0.000 1.082 270 F CA 0.804 58.811 58.000 0.012 0.000 1.360 270 F CB -0.671 38.437 39.000 0.179 0.000 1.041 270 F HN 0.653 nan 8.300 nan 0.000 0.512 271 A N -0.309 122.638 122.820 0.212 0.000 2.067 271 A HA -0.162 4.160 4.320 0.004 0.000 0.219 271 A C 1.846 179.454 177.584 0.041 0.000 1.158 271 A CA 1.589 53.703 52.037 0.128 0.000 0.661 271 A CB -0.906 18.149 19.000 0.092 0.000 0.801 271 A HN 0.482 nan 8.150 nan 0.000 0.452 272 N N -1.112 117.585 118.700 -0.004 0.000 2.336 272 N HA 0.109 4.852 4.740 0.004 0.000 0.189 272 N C 1.038 176.455 175.510 -0.155 0.000 1.113 272 N CA 0.326 53.342 53.050 -0.057 0.000 0.858 272 N CB 0.482 38.944 38.487 -0.042 0.000 0.970 272 N HN 0.277 nan 8.380 nan 0.000 0.471 273 V N -0.276 119.467 119.914 -0.285 0.000 2.599 273 V HA 0.085 4.208 4.120 0.004 0.000 0.237 273 V C 0.135 175.858 176.094 -0.619 0.000 1.081 273 V CA 0.837 62.787 62.300 -0.584 0.000 1.107 273 V CB -0.052 31.145 31.823 -1.042 0.000 0.808 273 V HN 0.109 nan 8.190 nan 0.000 0.486 274 F N 1.431 121.319 119.950 -0.103 0.000 2.606 274 F HA 0.444 4.974 4.527 0.004 0.000 0.347 274 F C 0.328 176.100 175.800 -0.047 0.000 1.207 274 F CA -0.345 57.605 58.000 -0.083 0.000 1.306 274 F CB -0.658 38.297 39.000 -0.075 0.000 1.657 274 F HN 0.016 nan 8.300 nan 0.000 0.606 275 I N 1.827 122.413 120.570 0.027 0.000 2.742 275 I HA 0.111 4.284 4.170 0.004 0.000 0.287 275 I C 1.355 177.498 176.117 0.043 0.000 1.186 275 I CA 0.780 62.093 61.300 0.023 0.000 1.417 275 I CB -0.164 37.828 38.000 -0.014 0.000 1.377 275 I HN 0.767 nan 8.210 nan 0.000 0.556 276 G N 4.015 112.842 108.800 0.044 0.000 2.157 276 G HA2 -0.161 3.802 3.960 0.004 0.000 0.248 276 G HA3 -0.161 3.802 3.960 0.004 0.000 0.248 276 G C 0.261 175.188 174.900 0.046 0.000 0.979 276 G CA -0.101 45.022 45.100 0.038 0.000 0.650 276 G HN 1.011 nan 8.290 nan 0.000 0.529 277 A N -0.135 122.723 122.820 0.063 0.000 2.302 277 A HA 0.653 4.976 4.320 0.004 0.000 0.285 277 A C 0.635 178.238 177.584 0.033 0.000 1.105 277 A CA 0.221 52.286 52.037 0.046 0.000 0.816 277 A CB 0.432 19.458 19.000 0.043 0.000 1.067 277 A HN 0.929 nan 8.150 nan 0.000 0.489 278 N N 1.771 120.489 118.700 0.030 0.000 2.414 278 N HA 0.040 4.783 4.740 0.004 0.000 0.268 278 N C -1.843 173.669 175.510 0.005 0.000 1.286 278 N CA -1.395 51.683 53.050 0.047 0.000 0.896 278 N CB 0.671 39.236 38.487 0.129 0.000 1.093 278 N HN 0.178 nan 8.380 nan 0.000 0.480 279 P HA -0.161 nan 4.420 nan 0.000 0.218 279 P C 1.401 178.700 177.300 -0.003 0.000 1.146 279 P CA 1.125 64.234 63.100 0.016 0.000 0.820 279 P CB 0.252 31.968 31.700 0.027 0.000 0.778 280 L N -1.661 119.571 121.223 0.016 0.000 2.109 280 L HA -0.099 4.243 4.340 0.004 0.000 0.207 280 L C 2.424 179.152 176.870 -0.237 0.000 1.086 280 L CA 1.307 56.181 54.840 0.056 0.000 0.760 280 L CB -0.933 41.248 42.059 0.203 0.000 0.910 280 L HN -0.032 nan 8.230 nan 0.000 0.437 281 A N -0.372 122.149 122.820 -0.498 0.000 1.898 281 A HA -0.124 4.199 4.320 0.004 0.000 0.216 281 A C 2.294 179.574 177.584 -0.508 0.000 1.181 281 A CA 1.459 52.929 52.037 -0.946 0.000 0.620 281 A CB -0.703 17.827 19.000 -0.783 0.000 0.819 281 A HN 0.170 nan 8.150 nan 0.000 0.442 282 V N 0.576 120.342 119.914 -0.247 0.000 2.343 282 V HA -0.279 3.844 4.120 0.004 0.000 0.247 282 V C 2.322 178.363 176.094 -0.089 0.000 1.051 282 V CA 2.532 64.790 62.300 -0.070 0.000 1.036 282 V CB -0.864 31.012 31.823 0.087 0.000 0.654 282 V HN 0.743 nan 8.190 nan 0.000 0.451 283 D N -0.140 120.202 120.400 -0.096 0.000 2.087 283 D HA -0.214 4.428 4.640 0.004 0.000 0.192 283 D C 2.013 178.215 176.300 -0.164 0.000 0.993 283 D CA 1.556 55.518 54.000 -0.063 0.000 0.828 283 D CB -0.215 40.633 40.800 0.081 0.000 0.968 283 D HN 0.227 nan 8.370 nan 0.000 0.448 284 L N 0.446 121.441 121.223 -0.380 0.000 2.043 284 L HA -0.138 4.205 4.340 0.004 0.000 0.212 284 L C 2.141 178.821 176.870 -0.316 0.000 1.075 284 L CA 1.611 56.101 54.840 -0.582 0.000 0.752 284 L CB -0.750 40.792 42.059 -0.862 0.000 0.891 284 L HN 0.278 nan 8.230 nan 0.000 0.432 285 L N -0.778 120.275 121.223 -0.283 0.000 2.131 285 L HA -0.211 4.131 4.340 0.004 0.000 0.210 285 L C 2.466 179.286 176.870 -0.084 0.000 1.092 285 L CA 1.375 56.120 54.840 -0.158 0.000 0.759 285 L CB -0.544 41.420 42.059 -0.159 0.000 0.903 285 L HN 0.435 nan 8.230 nan 0.000 0.435 286 E N -0.176 119.870 120.200 -0.256 0.000 2.208 286 E HA -0.147 4.206 4.350 0.004 0.000 0.193 286 E C 1.862 178.330 176.600 -0.220 0.000 0.988 286 E CA 0.554 56.661 56.400 -0.488 0.000 0.828 286 E CB 0.124 29.479 29.700 -0.574 0.000 0.763 286 E HN 0.395 nan 8.360 nan 0.000 0.478 287 K N 0.220 120.541 120.400 -0.131 0.000 2.296 287 K HA 0.062 4.385 4.320 0.004 0.000 0.200 287 K C 1.854 178.452 176.600 -0.003 0.000 1.048 287 K CA 0.711 56.971 56.287 -0.045 0.000 0.966 287 K CB 0.027 32.519 32.500 -0.013 0.000 0.754 287 K HN 0.225 nan 8.250 nan 0.000 0.466 288 M N -0.059 119.523 119.600 -0.031 0.000 2.325 288 M HA 0.024 4.507 4.480 0.004 0.000 0.265 288 M C 0.321 176.626 176.300 0.008 0.000 1.094 288 M CA 0.507 55.807 55.300 -0.001 0.000 1.161 288 M CB 0.107 32.676 32.600 -0.051 0.000 1.358 288 M HN -0.121 nan 8.290 nan 0.000 0.446 289 L N 1.753 122.943 121.223 -0.054 0.000 2.873 289 L HA 0.192 4.535 4.340 0.004 0.000 0.236 289 L C -0.465 176.530 176.870 0.208 0.000 1.375 289 L CA -0.021 54.727 54.840 -0.152 0.000 1.239 289 L CB -1.127 40.909 42.059 -0.039 0.000 1.603 289 L HN -0.089 nan 8.230 nan 0.000 0.430 290 V N 0.644 120.758 119.914 0.334 0.000 2.394 290 V HA 0.116 4.238 4.120 0.004 0.000 0.282 290 V C 1.333 177.705 176.094 0.464 0.000 1.031 290 V CA -0.577 61.920 62.300 0.328 0.000 0.881 290 V CB 2.141 34.081 31.823 0.194 0.000 0.982 290 V HN 0.318 nan 8.190 nan 0.000 0.451 291 L N 3.020 124.466 121.223 0.373 0.000 2.012 291 L HA -0.039 4.304 4.340 0.004 0.000 0.210 291 L C 1.286 178.265 176.870 0.183 0.000 1.073 291 L CA 1.758 56.757 54.840 0.264 0.000 0.748 291 L CB -0.423 41.765 42.059 0.215 0.000 0.891 291 L HN 0.782 nan 8.230 nan 0.000 0.431 292 D N -1.258 119.237 120.400 0.159 0.000 2.346 292 D HA -0.003 4.640 4.640 0.004 0.000 0.260 292 D C 1.447 177.826 176.300 0.132 0.000 1.252 292 D CA 0.738 54.811 54.000 0.122 0.000 0.895 292 D CB 1.166 42.018 40.800 0.087 0.000 1.097 292 D HN 0.357 nan 8.370 nan 0.000 0.489 293 S N 2.799 118.573 115.700 0.123 0.000 2.419 293 S HA -0.197 4.276 4.470 0.004 0.000 0.235 293 S C 1.271 175.934 174.600 0.104 0.000 1.019 293 S CA 0.765 59.039 58.200 0.123 0.000 0.982 293 S CB 0.068 63.333 63.200 0.108 0.000 0.789 293 S HN 0.429 nan 8.310 nan 0.000 0.490 294 D N 1.950 122.402 120.400 0.088 0.000 2.178 294 D HA 0.010 4.652 4.640 0.004 0.000 0.202 294 D C 1.539 177.880 176.300 0.069 0.000 0.974 294 D CA 1.004 55.046 54.000 0.069 0.000 0.841 294 D CB -0.091 40.742 40.800 0.056 0.000 0.953 294 D HN 0.599 nan 8.370 nan 0.000 0.478 295 K N 0.201 120.649 120.400 0.080 0.000 2.372 295 K HA 0.157 4.480 4.320 0.004 0.000 0.200 295 K C 0.707 177.360 176.600 0.088 0.000 1.022 295 K CA -0.295 56.037 56.287 0.075 0.000 1.125 295 K CB 1.119 33.660 32.500 0.068 0.000 0.855 295 K HN -0.055 nan 8.250 nan 0.000 0.524 296 R N 1.489 122.054 120.500 0.109 0.000 2.582 296 R HA 0.236 4.579 4.340 0.004 0.000 0.271 296 R C 0.146 176.504 176.300 0.097 0.000 1.078 296 R CA -0.222 55.952 56.100 0.124 0.000 1.127 296 R CB 0.597 30.996 30.300 0.166 0.000 1.038 296 R HN 0.099 nan 8.270 nan 0.000 0.500 297 I N 1.624 122.248 120.570 0.090 0.000 2.779 297 I HA 0.027 4.200 4.170 0.004 0.000 0.285 297 I C 0.444 176.617 176.117 0.094 0.000 1.134 297 I CA 0.146 61.497 61.300 0.084 0.000 1.398 297 I CB 1.045 39.091 38.000 0.077 0.000 1.404 297 I HN 0.737 nan 8.210 nan 0.000 0.587 298 T N 3.493 118.103 114.554 0.092 0.000 2.902 298 T HA 0.480 4.833 4.350 0.004 0.000 0.280 298 T C 0.991 175.756 174.700 0.108 0.000 0.992 298 T CA -0.169 61.993 62.100 0.103 0.000 1.015 298 T CB 1.655 70.578 68.868 0.091 0.000 1.044 298 T HN 0.713 nan 8.240 nan 0.000 0.520 299 A N 1.336 124.235 122.820 0.133 0.000 1.883 299 A HA 0.146 4.469 4.320 0.004 0.000 0.217 299 A C 2.662 180.275 177.584 0.048 0.000 1.186 299 A CA 1.996 54.076 52.037 0.072 0.000 0.624 299 A CB -1.614 17.417 19.000 0.052 0.000 0.822 299 A HN 1.304 nan 8.150 nan 0.000 0.444 300 A N -0.905 121.958 122.820 0.073 0.000 1.908 300 A HA -0.243 4.079 4.320 0.004 0.000 0.218 300 A C 2.123 179.750 177.584 0.073 0.000 1.181 300 A CA 1.879 53.960 52.037 0.072 0.000 0.627 300 A CB -0.566 18.485 19.000 0.084 0.000 0.818 300 A HN 0.665 nan 8.150 nan 0.000 0.445 301 Q N -0.877 118.972 119.800 0.082 0.000 2.123 301 Q HA 0.038 4.381 4.340 0.004 0.000 0.199 301 Q C 2.384 178.454 176.000 0.117 0.000 0.966 301 Q CA 1.195 57.051 55.803 0.089 0.000 0.845 301 Q CB -0.343 28.450 28.738 0.092 0.000 0.907 301 Q HN 0.683 nan 8.270 nan 0.000 0.439 302 A N 0.714 123.613 122.820 0.132 0.000 1.933 302 A HA -0.148 4.174 4.320 0.004 0.000 0.218 302 A C 2.013 179.786 177.584 0.315 0.000 1.175 302 A CA 0.993 53.162 52.037 0.219 0.000 0.628 302 A CB -0.642 18.464 19.000 0.177 0.000 0.814 302 A HN 0.308 nan 8.150 nan 0.000 0.444 303 L N -0.840 120.449 121.223 0.110 0.000 2.127 303 L HA -0.211 4.131 4.340 0.004 0.000 0.211 303 L C 2.884 179.652 176.870 -0.171 0.000 1.089 303 L CA 1.034 55.888 54.840 0.024 0.000 0.757 303 L CB -0.370 41.677 42.059 -0.021 0.000 0.899 303 L HN 0.447 nan 8.230 nan 0.000 0.434 304 A N -2.174 120.518 122.820 -0.213 0.000 2.167 304 A HA -0.102 4.221 4.320 0.004 0.000 0.214 304 A C 1.146 178.739 177.584 0.016 0.000 1.151 304 A CA 0.097 51.954 52.037 -0.301 0.000 0.735 304 A CB -0.629 18.326 19.000 -0.076 0.000 0.802 304 A HN 0.343 nan 8.150 nan 0.000 0.467 305 H N -0.132 118.992 119.070 0.089 0.000 2.948 305 H HA 0.188 4.747 4.556 0.005 0.000 0.351 305 H C 1.433 176.809 175.328 0.080 0.000 1.079 305 H CA 0.552 56.655 56.048 0.091 0.000 1.407 305 H CB 0.914 30.736 29.762 0.101 0.000 1.373 305 H HN 0.175 nan 8.280 nan 0.000 0.605 306 A N 4.864 127.587 122.820 -0.162 0.000 2.178 306 A HA -0.213 4.110 4.320 0.004 0.000 0.218 306 A C 1.857 179.499 177.584 0.097 0.000 1.157 306 A CA 0.864 52.886 52.037 -0.026 0.000 0.689 306 A CB -0.689 18.239 19.000 -0.119 0.000 0.787 306 A HN 0.819 nan 8.150 nan 0.000 0.465 307 Y N -0.713 119.613 120.300 0.043 0.000 2.439 307 Y HA -0.013 4.540 4.550 0.004 0.000 0.292 307 Y C 0.799 176.516 175.900 -0.305 0.000 1.130 307 Y CA 0.793 58.758 58.100 -0.226 0.000 1.254 307 Y CB -0.194 37.972 38.460 -0.491 0.000 1.000 307 Y HN 0.322 nan 8.280 nan 0.000 0.554 308 F N -1.142 118.916 119.950 0.179 0.000 2.684 308 F HA 0.382 4.912 4.527 0.005 0.000 0.298 308 F C 1.923 177.794 175.800 0.119 0.000 1.120 308 F CA 0.095 58.191 58.000 0.161 0.000 1.332 308 F CB -0.308 38.898 39.000 0.344 0.000 0.986 308 F HN 0.040 nan 8.300 nan 0.000 0.524 309 A N 0.158 123.071 122.820 0.155 0.000 1.948 309 A HA -0.298 4.025 4.320 0.004 0.000 0.220 309 A C 2.137 179.712 177.584 -0.015 0.000 1.177 309 A CA 1.861 53.955 52.037 0.095 0.000 0.636 309 A CB -0.483 18.534 19.000 0.027 0.000 0.815 309 A HN 0.393 nan 8.150 nan 0.000 0.449 310 Q N -2.204 117.497 119.800 -0.165 0.000 2.291 310 Q HA -0.109 4.234 4.340 0.004 0.000 0.205 310 Q C 1.102 176.736 176.000 -0.608 0.000 0.970 310 Q CA 1.761 57.297 55.803 -0.445 0.000 0.876 310 Q CB -0.201 28.111 28.738 -0.709 0.000 0.935 310 Q HN 0.903 nan 8.270 nan 0.000 0.455 311 Y N -2.835 117.390 120.300 -0.125 0.000 2.467 311 Y HA 0.162 4.715 4.550 0.005 0.000 0.259 311 Y C 0.519 176.218 175.900 -0.335 0.000 1.084 311 Y CA -0.481 57.398 58.100 -0.369 0.000 1.275 311 Y CB 0.261 38.235 38.460 -0.810 0.000 1.208 311 Y HN 0.044 nan 8.280 nan 0.000 0.511 312 H N 2.217 121.292 119.070 0.009 0.000 3.004 312 H HA 0.012 4.570 4.556 0.004 0.000 0.316 312 H C -0.914 174.496 175.328 0.136 0.000 1.014 312 H CA 0.688 56.850 56.048 0.190 0.000 1.454 312 H CB 0.538 30.463 29.762 0.271 0.000 1.472 312 H HN 0.165 nan 8.280 nan 0.000 0.571 313 D N 7.952 128.230 120.400 -0.203 0.000 2.323 313 D HA 0.122 4.765 4.640 0.004 0.000 0.242 313 D C -1.925 174.246 176.300 -0.215 0.000 1.347 313 D CA -1.911 51.950 54.000 -0.230 0.000 0.988 313 D CB 1.666 42.446 40.800 -0.033 0.000 1.314 313 D HN 0.324 nan 8.370 nan 0.000 0.564 314 P HA -0.110 nan 4.420 nan 0.000 0.218 314 P C 0.526 177.838 177.300 0.019 0.000 1.146 314 P CA 0.850 63.908 63.100 -0.069 0.000 0.813 314 P CB 0.604 32.288 31.700 -0.028 0.000 0.778 315 D N -0.803 119.595 120.400 -0.004 0.000 2.355 315 D HA -0.042 4.601 4.640 0.004 0.000 0.218 315 D C 0.440 176.765 176.300 0.042 0.000 1.004 315 D CA 0.901 54.916 54.000 0.024 0.000 0.880 315 D CB -0.212 40.594 40.800 0.011 0.000 0.911 315 D HN 0.160 nan 8.370 nan 0.000 0.528 316 D N 0.465 120.898 120.400 0.055 0.000 2.963 316 D HA 0.123 4.765 4.640 0.004 0.000 0.361 316 D C -0.768 175.608 176.300 0.127 0.000 1.317 316 D CA -0.140 53.907 54.000 0.078 0.000 0.832 316 D CB -0.081 40.764 40.800 0.074 0.000 1.135 316 D HN -0.096 nan 8.370 nan 0.000 0.476 317 E N 1.210 121.495 120.200 0.140 0.000 3.544 317 E HA 0.176 4.529 4.350 0.004 0.000 0.264 317 E C -2.433 174.285 176.600 0.196 0.000 1.225 317 E CA -1.334 55.175 56.400 0.182 0.000 1.045 317 E CB 1.440 31.255 29.700 0.192 0.000 1.338 317 E HN 0.204 nan 8.360 nan 0.000 0.395 318 P HA -0.035 nan 4.420 nan 0.000 0.270 318 P C 0.039 177.528 177.300 0.315 0.000 1.227 318 P CA -0.074 63.172 63.100 0.243 0.000 0.788 318 P CB 0.784 32.620 31.700 0.227 0.000 0.926 319 V N -2.613 117.428 119.914 0.211 0.000 3.177 319 V HA 0.886 5.009 4.120 0.004 0.000 0.319 319 V C 0.011 176.077 176.094 -0.047 0.000 1.125 319 V CA -1.274 61.068 62.300 0.071 0.000 1.029 319 V CB 0.939 32.781 31.823 0.032 0.000 1.119 319 V HN 0.743 nan 8.190 nan 0.000 0.452 320 A N 0.225 122.809 122.820 -0.394 0.000 2.252 320 A HA 0.663 4.986 4.320 0.004 0.000 0.305 320 A C -0.250 177.292 177.584 -0.071 0.000 1.097 320 A CA -0.458 51.310 52.037 -0.449 0.000 0.849 320 A CB 0.274 18.773 19.000 -0.835 0.000 1.142 320 A HN 0.943 nan 8.150 nan 0.000 0.499 321 D N 0.524 120.933 120.400 0.016 0.000 2.358 321 D HA 0.417 5.060 4.640 0.004 0.000 0.244 321 D C -2.317 174.143 176.300 0.268 0.000 1.163 321 D CA -0.846 53.236 54.000 0.136 0.000 0.945 321 D CB 0.153 41.044 40.800 0.152 0.000 1.152 321 D HN 0.187 nan 8.370 nan 0.000 0.451 322 P HA -0.023 nan 4.420 nan 0.000 0.265 322 P C -0.904 176.509 177.300 0.189 0.000 1.187 322 P CA 0.210 63.405 63.100 0.159 0.000 0.766 322 P CB 0.110 31.869 31.700 0.098 0.000 0.820 323 Y N 2.752 122.990 120.300 -0.104 0.000 2.464 323 Y HA 0.229 4.781 4.550 0.004 0.000 0.326 323 Y C -0.165 175.657 175.900 -0.128 0.000 0.969 323 Y CA -1.289 56.612 58.100 -0.333 0.000 1.270 323 Y CB 0.415 38.581 38.460 -0.489 0.000 1.103 323 Y HN 0.273 nan 8.280 nan 0.000 0.491 324 D N 5.433 125.601 120.400 -0.387 0.000 2.348 324 D HA 0.022 4.665 4.640 0.004 0.000 0.259 324 D C -0.099 175.945 176.300 -0.427 0.000 1.296 324 D CA 0.441 54.266 54.000 -0.293 0.000 0.931 324 D CB 0.812 41.550 40.800 -0.103 0.000 1.067 324 D HN 0.787 nan 8.370 nan 0.000 0.503 325 Q N 1.799 121.359 119.800 -0.401 0.000 2.204 325 Q HA 0.014 4.356 4.340 0.004 0.000 0.209 325 Q C 1.698 177.447 176.000 -0.418 0.000 0.861 325 Q CA -0.181 55.340 55.803 -0.470 0.000 0.971 325 Q CB 0.396 28.891 28.738 -0.404 0.000 1.095 325 Q HN 0.475 nan 8.270 nan 0.000 0.486 326 S N 0.870 116.477 115.700 -0.155 0.000 2.419 326 S HA -0.207 4.266 4.470 0.004 0.000 0.235 326 S C 1.789 176.373 174.600 -0.027 0.000 1.019 326 S CA 1.020 59.172 58.200 -0.081 0.000 0.982 326 S CB -0.699 62.498 63.200 -0.005 0.000 0.789 326 S HN 0.597 nan 8.310 nan 0.000 0.490 327 F N 1.849 121.858 119.950 0.097 0.000 2.333 327 F HA 0.193 4.722 4.527 0.005 0.000 0.300 327 F C 2.016 177.996 175.800 0.300 0.000 1.083 327 F CA 0.889 59.033 58.000 0.240 0.000 1.395 327 F CB -0.719 38.542 39.000 0.436 0.000 1.056 327 F HN 0.093 nan 8.300 nan 0.000 0.529 328 E N 0.850 120.655 120.200 -0.659 0.000 2.265 328 E HA -0.121 4.232 4.350 0.004 0.000 0.196 328 E C 2.014 178.581 176.600 -0.055 0.000 0.996 328 E CA 1.242 57.396 56.400 -0.410 0.000 0.832 328 E CB -0.266 29.118 29.700 -0.527 0.000 0.756 328 E HN 0.553 nan 8.360 nan 0.000 0.491 329 S N 0.097 115.788 115.700 -0.016 0.000 2.497 329 S HA 0.060 4.533 4.470 0.004 0.000 0.218 329 S C 0.965 175.621 174.600 0.094 0.000 1.023 329 S CA -0.405 57.813 58.200 0.030 0.000 0.913 329 S CB 0.393 63.587 63.200 -0.009 0.000 0.800 329 S HN 0.026 nan 8.310 nan 0.000 0.505 330 R N 3.206 123.795 120.500 0.147 0.000 2.537 330 R HA -0.001 4.342 4.340 0.004 0.000 0.281 330 R C -0.612 175.782 176.300 0.156 0.000 0.988 330 R CA 0.580 56.751 56.100 0.118 0.000 1.077 330 R CB -0.013 30.356 30.300 0.115 0.000 0.932 330 R HN 0.069 nan 8.270 nan 0.000 0.409 331 D N 5.082 125.508 120.400 0.044 0.000 2.460 331 D HA 0.226 4.869 4.640 0.004 0.000 0.232 331 D C -0.726 175.534 176.300 -0.067 0.000 1.079 331 D CA -0.262 53.777 54.000 0.066 0.000 0.864 331 D CB 0.469 41.301 40.800 0.054 0.000 1.048 331 D HN 0.311 nan 8.370 nan 0.000 0.523 332 L N 1.774 122.900 121.223 -0.161 0.000 2.256 332 L HA 0.481 4.824 4.340 0.004 0.000 0.261 332 L C -0.229 176.520 176.870 -0.202 0.000 1.022 332 L CA -1.101 53.497 54.840 -0.404 0.000 0.828 332 L CB 1.170 42.603 42.059 -1.043 0.000 1.374 332 L HN 0.080 nan 8.230 nan 0.000 0.436 333 L N 0.735 121.832 121.223 -0.210 0.000 2.439 333 L HA 0.286 4.629 4.340 0.004 0.000 0.259 333 L C 1.304 178.193 176.870 0.032 0.000 1.129 333 L CA 0.212 55.025 54.840 -0.046 0.000 0.803 333 L CB 0.661 42.683 42.059 -0.062 0.000 1.161 333 L HN 0.525 nan 8.230 nan 0.000 0.462 334 I N 0.472 121.130 120.570 0.147 0.000 2.113 334 I HA -0.344 3.828 4.170 0.004 0.000 0.242 334 I C 1.444 177.622 176.117 0.102 0.000 1.064 334 I CA 1.567 63.000 61.300 0.222 0.000 1.320 334 I CB -0.106 37.981 38.000 0.146 0.000 1.028 334 I HN 0.692 nan 8.210 nan 0.000 0.406 335 D N 0.375 120.772 120.400 -0.004 0.000 2.221 335 D HA -0.187 4.455 4.640 0.004 0.000 0.204 335 D C 2.088 178.317 176.300 -0.118 0.000 0.982 335 D CA 1.038 54.992 54.000 -0.077 0.000 0.857 335 D CB -0.059 40.697 40.800 -0.074 0.000 0.934 335 D HN 0.352 nan 8.370 nan 0.000 0.475 336 E N -1.377 118.724 120.200 -0.165 0.000 2.112 336 E HA -0.060 4.292 4.350 0.004 0.000 0.190 336 E C 1.727 178.136 176.600 -0.319 0.000 0.979 336 E CA 0.556 56.782 56.400 -0.289 0.000 0.814 336 E CB 0.013 29.454 29.700 -0.432 0.000 0.762 336 E HN 0.416 nan 8.360 nan 0.000 0.460 337 W N 0.843 122.067 121.300 -0.128 0.000 2.409 337 W HA -0.048 4.615 4.660 0.004 0.000 0.299 337 W C 2.346 178.789 176.519 -0.127 0.000 1.203 337 W CA 0.580 57.837 57.345 -0.146 0.000 1.298 337 W CB 0.047 29.513 29.460 0.009 0.000 1.127 337 W HN -0.032 nan 8.180 nan 0.000 0.528 338 K N 0.293 120.677 120.400 -0.026 0.000 2.044 338 K HA -0.252 4.071 4.320 0.004 0.000 0.210 338 K C 2.316 178.865 176.600 -0.085 0.000 1.049 338 K CA 1.903 57.891 56.287 -0.498 0.000 0.927 338 K CB -0.500 31.590 32.500 -0.684 0.000 0.713 338 K HN -0.016 nan 8.250 nan 0.000 0.443 339 S N -0.341 115.327 115.700 -0.054 0.000 2.406 339 S HA -0.051 4.422 4.470 0.004 0.000 0.228 339 S C 1.754 176.388 174.600 0.057 0.000 1.020 339 S CA 0.595 58.804 58.200 0.015 0.000 0.965 339 S CB -0.127 63.044 63.200 -0.048 0.000 0.798 339 S HN 0.237 nan 8.310 nan 0.000 0.488 340 L N 1.623 122.839 121.223 -0.010 0.000 2.056 340 L HA 0.033 4.376 4.340 0.004 0.000 0.207 340 L C 2.681 179.693 176.870 0.236 0.000 1.078 340 L CA 1.857 56.687 54.840 -0.016 0.000 0.749 340 L CB -1.592 40.223 42.059 -0.406 0.000 0.901 340 L HN 0.292 nan 8.230 nan 0.000 0.433 341 T N -1.813 112.953 114.554 0.353 0.000 2.708 341 T HA -0.265 4.087 4.350 0.004 0.000 0.266 341 T C 1.772 176.642 174.700 0.284 0.000 1.037 341 T CA 1.612 64.025 62.100 0.522 0.000 1.146 341 T CB -0.465 68.849 68.868 0.743 0.000 0.865 341 T HN 0.277 nan 8.240 nan 0.000 0.435 342 Y N 2.108 122.388 120.300 -0.034 0.000 2.224 342 Y HA -0.147 4.405 4.550 0.004 0.000 0.289 342 Y C 1.994 177.764 175.900 -0.218 0.000 1.146 342 Y CA 1.163 58.964 58.100 -0.499 0.000 1.182 342 Y CB -0.383 37.718 38.460 -0.597 0.000 0.983 342 Y HN 0.134 nan 8.280 nan 0.000 0.524 343 D N -0.099 120.270 120.400 -0.052 0.000 2.117 343 D HA -0.152 4.490 4.640 0.004 0.000 0.198 343 D C 2.034 178.299 176.300 -0.059 0.000 0.982 343 D CA 1.359 55.315 54.000 -0.073 0.000 0.828 343 D CB -0.123 40.695 40.800 0.030 0.000 0.967 343 D HN 0.396 nan 8.370 nan 0.000 0.464 344 E N 0.371 120.596 120.200 0.040 0.000 2.110 344 E HA -0.090 4.262 4.350 0.004 0.000 0.193 344 E C 2.368 178.994 176.600 0.043 0.000 0.988 344 E CA 0.275 56.719 56.400 0.074 0.000 0.804 344 E CB -0.134 29.642 29.700 0.126 0.000 0.745 344 E HN 0.171 nan 8.360 nan 0.000 0.458 345 V N 1.630 121.515 119.914 -0.049 0.000 2.270 345 V HA -0.226 3.897 4.120 0.004 0.000 0.245 345 V C 2.369 178.420 176.094 -0.072 0.000 1.043 345 V CA 1.144 63.406 62.300 -0.063 0.000 1.014 345 V CB -0.371 31.348 31.823 -0.173 0.000 0.645 345 V HN 0.181 nan 8.190 nan 0.000 0.447 346 I N 1.450 121.851 120.570 -0.282 0.000 2.208 346 I HA -0.197 3.976 4.170 0.004 0.000 0.245 346 I C 2.564 178.639 176.117 -0.070 0.000 1.097 346 I CA 2.362 63.509 61.300 -0.255 0.000 1.363 346 I CB -1.364 36.356 38.000 -0.467 0.000 1.051 346 I HN 0.552 nan 8.210 nan 0.000 0.413 347 S N -0.317 115.363 115.700 -0.033 0.000 2.562 347 S HA -0.040 4.433 4.470 0.004 0.000 0.221 347 S C 0.894 175.522 174.600 0.047 0.000 0.975 347 S CA -0.471 57.733 58.200 0.008 0.000 0.918 347 S CB -0.931 62.273 63.200 0.007 0.000 0.772 347 S HN 0.206 nan 8.310 nan 0.000 0.531 348 F N 3.119 123.061 119.950 -0.014 0.000 2.623 348 F HA 0.274 4.804 4.527 0.005 0.000 0.386 348 F C -0.339 175.473 175.800 0.020 0.000 1.068 348 F CA -0.044 57.964 58.000 0.013 0.000 1.265 348 F CB 0.468 39.486 39.000 0.029 0.000 1.026 348 F HN -0.048 nan 8.300 nan 0.000 0.568 349 V N 8.566 127.884 119.914 -0.994 0.000 2.378 349 V HA 0.335 4.457 4.120 0.004 0.000 0.288 349 V C -1.971 173.463 176.094 -1.100 0.000 1.016 349 V CA -1.676 60.198 62.300 -0.710 0.000 0.840 349 V CB 1.312 32.921 31.823 -0.357 0.000 0.994 349 V HN 0.673 nan 8.190 nan 0.000 0.431 350 P HA 0.294 nan 4.420 nan 0.000 0.274 350 P C -2.617 174.620 177.300 -0.104 0.000 1.231 350 P CA -1.395 61.577 63.100 -0.212 0.000 0.790 350 P CB 0.106 31.895 31.700 0.149 0.000 0.951 351 P HA 0.215 nan 4.420 nan 0.000 0.275 351 P C -2.107 175.217 177.300 0.039 0.000 1.227 351 P CA -1.179 61.936 63.100 0.025 0.000 0.781 351 P CB -0.792 30.954 31.700 0.078 0.000 0.906 352 P HA 0.177 nan 4.420 nan 0.000 0.271 352 P C 0.039 177.369 177.300 0.049 0.000 1.233 352 P CA -0.092 63.022 63.100 0.025 0.000 0.789 352 P CB 0.870 32.576 31.700 0.011 0.000 0.951 353 L N 0.312 121.559 121.223 0.039 0.000 2.836 353 L HA 0.554 4.897 4.340 0.004 0.000 0.216 353 L C 0.422 177.311 176.870 0.033 0.000 1.861 353 L CA -0.113 54.755 54.840 0.047 0.000 2.145 353 L CB 0.466 42.539 42.059 0.024 0.000 2.671 353 L HN 0.416 nan 8.230 nan 0.000 0.594 354 D N 0.000 120.413 120.400 0.022 0.000 6.856 354 D HA 0.000 4.643 4.640 0.004 0.000 0.175 354 D CA 0.000 54.010 54.000 0.016 0.000 0.868 354 D CB 0.000 40.814 40.800 0.023 0.000 0.688 354 D HN 0.000 nan 8.370 nan 0.000 0.683