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 3d7z_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKXQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPP 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 0.000 176.633 176.600 0.054 0.000 1.382 4 E CA 0.000 56.422 56.400 0.036 0.000 0.976 4 E CB 0.000 29.712 29.700 0.020 0.000 0.812 5 R N 4.504 125.049 120.500 0.075 0.000 2.267 5 R HA 0.314 4.653 4.340 -0.002 0.000 0.319 5 R C -1.910 174.455 176.300 0.108 0.000 1.067 5 R CA -1.099 55.077 56.100 0.127 0.000 0.936 5 R CB 0.472 30.865 30.300 0.154 0.000 1.006 5 R HN 0.263 nan 8.270 nan 0.000 0.452 6 P HA 0.031 nan 4.420 nan 0.000 0.270 6 P C -0.705 176.622 177.300 0.045 0.000 1.223 6 P CA -0.138 62.931 63.100 -0.051 0.000 0.785 6 P CB 0.529 32.057 31.700 -0.287 0.000 0.923 7 T N 1.696 116.247 114.554 -0.006 0.000 2.869 7 T HA 0.364 4.713 4.350 -0.002 0.000 0.295 7 T C -0.095 174.631 174.700 0.044 0.000 0.987 7 T CA 0.308 62.465 62.100 0.095 0.000 1.109 7 T CB -0.159 68.742 68.868 0.055 0.000 0.932 7 T HN 0.109 nan 8.240 nan 0.000 0.518 8 F N 2.433 122.399 119.950 0.028 0.000 2.458 8 F HA 0.581 5.107 4.527 -0.001 0.000 0.330 8 F C -0.066 175.815 175.800 0.135 0.000 1.082 8 F CA -1.044 56.970 58.000 0.024 0.000 0.995 8 F CB 1.255 40.238 39.000 -0.028 0.000 1.170 8 F HN 0.571 nan 8.300 nan 0.000 0.478 9 Y N -0.394 119.988 120.300 0.137 0.000 2.570 9 Y HA 0.819 5.368 4.550 -0.002 0.000 0.345 9 Y C -1.100 174.890 175.900 0.149 0.000 1.014 9 Y CA -1.888 56.282 58.100 0.117 0.000 1.063 9 Y CB 1.203 39.700 38.460 0.062 0.000 1.272 9 Y HN 0.507 nan 8.280 nan 0.000 0.477 10 R N 2.219 122.798 120.500 0.131 0.000 2.532 10 R HA 0.509 4.848 4.340 -0.002 0.000 0.295 10 R C -1.128 175.241 176.300 0.116 0.000 0.968 10 R CA -0.907 55.243 56.100 0.083 0.000 0.916 10 R CB 1.910 32.283 30.300 0.123 0.000 1.124 10 R HN 0.937 nan 8.270 nan 0.000 0.463 11 Q N 0.701 120.564 119.800 0.105 0.000 2.522 11 Q HA 0.290 4.629 4.340 -0.002 0.000 0.285 11 Q C -1.425 174.662 176.000 0.145 0.000 0.982 11 Q CA -0.995 54.882 55.803 0.124 0.000 0.805 11 Q CB 1.913 30.719 28.738 0.114 0.000 1.457 11 Q HN 0.453 nan 8.270 nan 0.000 0.394 12 E N 1.898 122.164 120.200 0.109 0.000 2.194 12 E HA 0.487 4.836 4.350 -0.002 0.000 0.284 12 E C -1.394 175.234 176.600 0.046 0.000 1.035 12 E CA -0.309 56.158 56.400 0.111 0.000 0.836 12 E CB 0.758 30.509 29.700 0.085 0.000 1.070 12 E HN 0.501 nan 8.360 nan 0.000 0.401 13 L N 3.674 124.924 121.223 0.045 0.000 2.482 13 L HA 0.278 4.617 4.340 -0.002 0.000 0.263 13 L C -0.072 176.801 176.870 0.004 0.000 0.957 13 L CA -0.694 54.056 54.840 -0.149 0.000 0.836 13 L CB 1.836 43.511 42.059 -0.639 0.000 1.324 13 L HN 0.703 nan 8.230 nan 0.000 0.406 14 N N 2.314 121.010 118.700 -0.007 0.000 2.725 14 N HA -0.216 4.523 4.740 -0.002 0.000 0.251 14 N C -0.315 175.271 175.510 0.125 0.000 1.031 14 N CA 0.736 53.837 53.050 0.084 0.000 0.720 14 N CB -0.688 37.898 38.487 0.166 0.000 0.930 14 N HN 0.645 nan 8.380 nan 0.000 0.543 15 K N -2.507 117.945 120.400 0.086 0.000 2.971 15 K HA -0.280 4.039 4.320 -0.002 0.000 0.265 15 K C 0.122 176.784 176.600 0.104 0.000 1.052 15 K CA 1.666 58.001 56.287 0.079 0.000 0.780 15 K CB -1.667 30.864 32.500 0.051 0.000 1.214 15 K HN 0.711 nan 8.250 nan 0.000 0.478 16 T N -3.025 111.634 114.554 0.176 0.000 2.865 16 T HA 0.618 4.967 4.350 -0.002 0.000 0.294 16 T C -0.201 174.661 174.700 0.270 0.000 1.119 16 T CA -1.222 60.983 62.100 0.175 0.000 1.007 16 T CB 1.696 70.635 68.868 0.117 0.000 1.225 16 T HN -0.006 nan 8.240 nan 0.000 0.515 17 I N 1.915 122.604 120.570 0.199 0.000 2.363 17 I HA 0.230 4.399 4.170 -0.002 0.000 0.292 17 I C -0.669 175.636 176.117 0.313 0.000 1.075 17 I CA -0.801 60.639 61.300 0.233 0.000 1.333 17 I CB -0.281 37.805 38.000 0.142 0.000 1.415 17 I HN 0.686 nan 8.210 nan 0.000 0.502 18 W N 5.529 126.901 121.300 0.121 0.000 2.322 18 W HA 0.345 5.004 4.660 -0.001 0.000 0.307 18 W C 0.724 177.293 176.519 0.083 0.000 1.220 18 W CA -0.463 57.002 57.345 0.201 0.000 1.210 18 W CB 0.425 29.984 29.460 0.165 0.000 1.223 18 W HN 0.446 nan 8.180 nan 0.000 0.511 19 E N 3.444 123.794 120.200 0.249 0.000 2.186 19 E HA 0.474 4.822 4.350 -0.002 0.000 0.255 19 E C -1.234 175.397 176.600 0.053 0.000 0.881 19 E CA -0.540 55.928 56.400 0.114 0.000 0.752 19 E CB 0.911 30.700 29.700 0.149 0.000 1.176 19 E HN 0.330 nan 8.360 nan 0.000 0.421 20 V N 1.462 121.314 119.914 -0.103 0.000 2.962 20 V HA 0.731 4.850 4.120 -0.002 0.000 0.313 20 V C -2.826 172.893 176.094 -0.626 0.000 1.099 20 V CA -2.878 59.192 62.300 -0.383 0.000 0.971 20 V CB 1.695 33.404 31.823 -0.190 0.000 1.028 20 V HN 0.500 nan 8.190 nan 0.000 0.430 21 P HA 0.217 nan 4.420 nan 0.000 0.268 21 P C 0.568 177.711 177.300 -0.261 0.000 1.205 21 P CA 0.181 62.722 63.100 -0.931 0.000 0.771 21 P CB 0.433 31.531 31.700 -1.003 0.000 0.858 22 E N 2.545 122.679 120.200 -0.109 0.000 2.219 22 E HA -0.289 4.060 4.350 -0.002 0.000 0.198 22 E C 1.827 178.359 176.600 -0.113 0.000 0.998 22 E CA 1.062 57.460 56.400 -0.004 0.000 0.818 22 E CB -0.215 29.422 29.700 -0.106 0.000 0.741 22 E HN 0.516 nan 8.360 nan 0.000 0.477 23 R N 0.527 120.845 120.500 -0.304 0.000 2.159 23 R HA -0.142 4.197 4.340 -0.002 0.000 0.237 23 R C 0.121 176.165 176.300 -0.427 0.000 1.131 23 R CA 0.976 56.816 56.100 -0.434 0.000 0.982 23 R CB -0.493 29.413 30.300 -0.656 0.000 0.868 23 R HN 0.104 nan 8.270 nan 0.000 0.453 24 Y N 1.956 122.239 120.300 -0.028 0.000 2.367 24 Y HA 0.342 4.891 4.550 -0.002 0.000 0.342 24 Y C 0.262 176.266 175.900 0.173 0.000 0.979 24 Y CA -0.736 57.387 58.100 0.040 0.000 1.161 24 Y CB 1.030 39.509 38.460 0.031 0.000 1.155 24 Y HN -0.017 nan 8.280 nan 0.000 0.503 25 Q N 1.330 121.312 119.800 0.303 0.000 2.399 25 Q HA 0.323 4.662 4.340 -0.002 0.000 0.276 25 Q C -0.242 175.910 176.000 0.252 0.000 1.098 25 Q CA -1.155 54.809 55.803 0.269 0.000 0.827 25 Q CB 1.729 30.584 28.738 0.195 0.000 1.386 25 Q HN 0.790 nan 8.270 nan 0.000 0.443 26 N N -0.190 118.622 118.700 0.186 0.000 2.725 26 N HA -0.227 4.512 4.740 -0.002 0.000 0.251 26 N C -0.883 174.685 175.510 0.097 0.000 1.031 26 N CA -0.061 53.062 53.050 0.121 0.000 0.720 26 N CB -1.282 37.262 38.487 0.096 0.000 0.930 26 N HN 0.287 nan 8.380 nan 0.000 0.543 27 L N 0.370 121.645 121.223 0.086 0.000 2.499 27 L HA 0.247 4.586 4.340 -0.002 0.000 0.273 27 L C 0.681 177.505 176.870 -0.077 0.000 1.195 27 L CA 1.076 55.908 54.840 -0.013 0.000 0.882 27 L CB 1.190 43.200 42.059 -0.081 0.000 1.133 27 L HN 0.272 nan 8.230 nan 0.000 0.483 28 S N 4.281 119.918 115.700 -0.105 0.000 2.668 28 S HA 0.566 5.034 4.470 -0.002 0.000 0.277 28 S C -2.686 171.837 174.600 -0.128 0.000 1.170 28 S CA -1.312 56.828 58.200 -0.100 0.000 0.994 28 S CB 1.389 64.566 63.200 -0.039 0.000 1.051 28 S HN 0.233 nan 8.310 nan 0.000 0.484 29 P HA 0.136 nan 4.420 nan 0.000 0.264 29 P C -0.687 176.587 177.300 -0.043 0.000 1.183 29 P CA -0.075 62.951 63.100 -0.124 0.000 0.763 29 P CB 0.440 32.078 31.700 -0.102 0.000 0.807 30 V N -0.985 118.928 119.914 -0.002 0.000 3.167 30 V HA 0.901 5.020 4.120 -0.002 0.000 0.310 30 V C 1.012 177.167 176.094 0.102 0.000 1.207 30 V CA -0.212 62.116 62.300 0.046 0.000 1.059 30 V CB 1.054 32.908 31.823 0.052 0.000 1.079 30 V HN 0.727 nan 8.190 nan 0.000 0.446 31 G N 0.140 109.026 108.800 0.143 0.000 2.225 31 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.254 31 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.254 31 G C 0.621 175.537 174.900 0.027 0.000 0.988 31 G CA 0.553 45.772 45.100 0.199 0.000 0.625 31 G HN 2.172 nan 8.290 nan 0.000 0.527 32 S N -1.511 114.201 115.700 0.020 0.000 3.614 32 S HA 0.086 4.555 4.470 -0.002 0.000 0.360 32 S C 2.820 177.397 174.600 -0.039 0.000 1.023 32 S CA 1.989 60.182 58.200 -0.012 0.000 1.114 32 S CB -1.528 61.662 63.200 -0.017 0.000 0.907 32 S HN 2.772 nan 8.310 nan 0.000 0.470 33 G N 0.092 108.876 108.800 -0.027 0.000 2.363 33 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.238 33 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.238 33 G C 1.129 175.970 174.900 -0.098 0.000 1.062 33 G CA 1.011 46.086 45.100 -0.042 0.000 0.629 33 G HN 1.770 nan 8.290 nan 0.000 0.514 34 A N 0.084 122.781 122.820 -0.204 0.000 1.884 34 A HA 0.042 4.361 4.320 -0.002 0.000 0.219 34 A C 1.919 179.242 177.584 -0.436 0.000 1.197 34 A CA 2.359 54.154 52.037 -0.403 0.000 0.637 34 A CB -0.644 17.952 19.000 -0.672 0.000 0.827 34 A HN 1.030 nan 8.150 nan 0.000 0.450 35 Y N -0.199 120.086 120.300 -0.025 0.000 2.462 35 Y HA 0.399 4.948 4.550 -0.002 0.000 0.293 35 Y C 1.667 177.538 175.900 -0.048 0.000 1.195 35 Y CA 0.078 58.155 58.100 -0.039 0.000 1.276 35 Y CB -0.746 37.695 38.460 -0.030 0.000 1.082 35 Y HN 0.653 nan 8.280 nan 0.000 0.514 36 G N -0.334 108.478 108.800 0.021 0.000 2.508 36 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.220 36 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.220 36 G C -0.422 174.513 174.900 0.057 0.000 1.287 36 G CA -0.375 44.728 45.100 0.005 0.000 0.916 36 G HN 0.114 nan 8.290 nan 0.000 0.574 37 S N 0.170 115.911 115.700 0.069 0.000 2.642 37 S HA 0.553 5.022 4.470 -0.002 0.000 0.309 37 S C -0.031 174.766 174.600 0.329 0.000 1.125 37 S CA -0.121 58.197 58.200 0.195 0.000 1.055 37 S CB -0.128 63.200 63.200 0.214 0.000 1.157 37 S HN 1.161 nan 8.310 nan 0.000 0.513 38 V N 4.550 124.618 119.914 0.255 0.000 2.540 38 V HA 0.485 4.604 4.120 -0.002 0.000 0.302 38 V C -0.100 176.055 176.094 0.102 0.000 1.035 38 V CA -0.866 61.573 62.300 0.232 0.000 0.873 38 V CB 1.468 33.383 31.823 0.155 0.000 0.992 38 V HN 0.771 nan 8.190 nan 0.000 0.428 39 C N 3.642 122.965 119.300 0.039 0.000 2.456 39 C HA 0.842 5.301 4.460 -0.002 0.000 0.325 39 C C 0.875 175.851 174.990 -0.024 0.000 1.217 39 C CA -0.776 58.160 59.018 -0.138 0.000 1.687 39 C CB 1.204 28.674 27.740 -0.451 0.000 2.270 39 C HN 1.019 nan 8.230 nan 0.000 0.499 40 A N 2.176 124.985 122.820 -0.019 0.000 2.371 40 A HA 0.764 5.083 4.320 -0.002 0.000 0.257 40 A C 0.093 177.704 177.584 0.045 0.000 1.089 40 A CA 0.220 52.272 52.037 0.025 0.000 0.794 40 A CB 0.256 19.275 19.000 0.031 0.000 1.029 40 A HN 1.521 nan 8.150 nan 0.000 0.488 41 A N 0.694 123.574 122.820 0.100 0.000 2.594 41 A HA 0.678 4.997 4.320 -0.002 0.000 0.291 41 A C -1.355 176.385 177.584 0.260 0.000 1.105 41 A CA -0.470 51.667 52.037 0.167 0.000 0.694 41 A CB 0.850 19.951 19.000 0.169 0.000 1.291 41 A HN 1.384 nan 8.150 nan 0.000 0.410 42 F N 1.501 121.529 119.950 0.130 0.000 2.388 42 F HA 0.496 5.022 4.527 -0.002 0.000 0.358 42 F C -0.194 175.702 175.800 0.161 0.000 1.122 42 F CA -0.964 57.107 58.000 0.117 0.000 1.056 42 F CB 1.193 40.235 39.000 0.069 0.000 1.155 42 F HN 0.533 nan 8.300 nan 0.000 0.461 43 D N 4.177 124.348 120.400 -0.382 0.000 2.402 43 D HA 0.060 4.699 4.640 -0.002 0.000 0.235 43 D C 1.361 177.190 176.300 -0.785 0.000 1.226 43 D CA 0.197 53.975 54.000 -0.369 0.000 0.918 43 D CB 0.901 41.656 40.800 -0.075 0.000 1.043 43 D HN 0.683 nan 8.370 nan 0.000 0.506 44 T N 1.029 115.223 114.554 -0.601 0.000 2.929 44 T HA -0.170 4.179 4.350 -0.002 0.000 0.271 44 T C 1.697 176.227 174.700 -0.284 0.000 1.085 44 T CA 0.923 62.778 62.100 -0.409 0.000 1.125 44 T CB 0.027 68.832 68.868 -0.105 0.000 0.874 44 T HN 0.248 nan 8.240 nan 0.000 0.494 45 K N 1.007 121.226 120.400 -0.302 0.000 2.155 45 K HA -0.001 4.318 4.320 -0.002 0.000 0.203 45 K C 2.381 178.888 176.600 -0.154 0.000 1.052 45 K CA 1.547 57.710 56.287 -0.206 0.000 0.948 45 K CB 0.040 32.407 32.500 -0.223 0.000 0.728 45 K HN 0.652 nan 8.250 nan 0.000 0.448 46 T N -4.852 109.593 114.554 -0.183 0.000 2.985 46 T HA 0.217 4.566 4.350 -0.002 0.000 0.254 46 T C 1.268 175.909 174.700 -0.098 0.000 1.021 46 T CA 0.297 62.334 62.100 -0.106 0.000 0.957 46 T CB 0.839 69.667 68.868 -0.067 0.000 1.047 46 T HN 0.222 nan 8.240 nan 0.000 0.511 47 G N 1.655 110.323 108.800 -0.220 0.000 2.155 47 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.257 47 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.257 47 G C -0.097 174.787 174.900 -0.025 0.000 0.983 47 G CA 0.328 45.358 45.100 -0.116 0.000 0.676 47 G HN 0.644 nan 8.290 nan 0.000 0.528 48 L N 0.181 121.333 121.223 -0.118 0.000 2.334 48 L HA 0.503 4.842 4.340 -0.002 0.000 0.277 48 L C 1.222 178.131 176.870 0.064 0.000 1.075 48 L CA -0.971 53.891 54.840 0.036 0.000 0.804 48 L CB 0.930 43.024 42.059 0.059 0.000 1.174 48 L HN 0.069 nan 8.230 nan 0.000 0.438 49 R N 2.252 122.872 120.500 0.200 0.000 2.316 49 R HA 0.344 4.683 4.340 -0.002 0.000 0.314 49 R C -0.545 175.839 176.300 0.140 0.000 1.069 49 R CA -0.275 55.952 56.100 0.211 0.000 0.959 49 R CB 0.807 31.222 30.300 0.191 0.000 0.987 49 R HN 0.505 nan 8.270 nan 0.000 0.446 50 V N -0.616 119.366 119.914 0.114 0.000 2.960 50 V HA 0.887 5.006 4.120 -0.002 0.000 0.315 50 V C -0.415 175.702 176.094 0.039 0.000 1.087 50 V CA -1.198 61.136 62.300 0.057 0.000 0.982 50 V CB 2.027 33.871 31.823 0.036 0.000 1.039 50 V HN 0.760 nan 8.190 nan 0.000 0.437 51 A N 2.447 125.269 122.820 0.004 0.000 2.288 51 A HA 0.819 5.138 4.320 -0.002 0.000 0.320 51 A C -0.588 176.993 177.584 -0.005 0.000 1.217 51 A CA -0.622 51.417 52.037 0.003 0.000 0.840 51 A CB 1.256 20.243 19.000 -0.022 0.000 1.179 51 A HN 1.344 nan 8.150 nan 0.000 0.504 52 V N 3.485 123.436 119.914 0.061 0.000 2.357 52 V HA 0.345 4.464 4.120 -0.002 0.000 0.284 52 V C 0.194 176.449 176.094 0.269 0.000 1.018 52 V CA -0.600 61.780 62.300 0.133 0.000 0.841 52 V CB 1.262 33.229 31.823 0.240 0.000 0.991 52 V HN 0.873 nan 8.190 nan 0.000 0.437 53 K N 4.629 125.069 120.400 0.068 0.000 2.240 53 K HA 0.408 4.727 4.320 -0.002 0.000 0.271 53 K C -0.369 176.071 176.600 -0.266 0.000 1.018 53 K CA -0.641 55.646 56.287 0.000 0.000 0.874 53 K CB 1.011 33.466 32.500 -0.075 0.000 1.098 53 K HN 0.615 nan 8.250 nan 0.000 0.458 54 K N 6.276 126.380 120.400 -0.493 0.000 2.253 54 K HA 0.224 4.543 4.320 -0.002 0.000 0.277 54 K C -0.387 175.818 176.600 -0.659 0.000 1.053 54 K CA -0.527 55.137 56.287 -1.038 0.000 0.892 54 K CB 0.647 32.074 32.500 -1.788 0.000 1.102 54 K HN 0.608 nan 8.250 nan 0.000 0.469 55 L N 3.006 123.854 121.223 -0.626 0.000 2.453 55 L HA 0.027 4.365 4.340 -0.002 0.000 0.272 55 L C 0.640 177.260 176.870 -0.417 0.000 1.182 55 L CA -0.051 54.525 54.840 -0.440 0.000 0.858 55 L CB 1.180 42.989 42.059 -0.415 0.000 1.120 55 L HN 0.653 nan 8.230 nan 0.000 0.474 56 S N 5.294 120.825 115.700 -0.282 0.000 2.422 56 S HA 0.242 4.710 4.470 -0.002 0.000 0.283 56 S C 0.402 174.886 174.600 -0.194 0.000 1.163 56 S CA -0.479 57.592 58.200 -0.215 0.000 1.054 56 S CB -0.062 63.063 63.200 -0.124 0.000 0.967 56 S HN 0.662 nan 8.310 nan 0.000 0.499 57 R N 3.004 123.357 120.500 -0.245 0.000 3.146 57 R HA -0.089 4.250 4.340 -0.002 0.000 0.250 57 R C -2.177 173.948 176.300 -0.292 0.000 0.912 57 R CA 0.624 56.575 56.100 -0.249 0.000 0.633 57 R CB -1.272 28.886 30.300 -0.237 0.000 1.180 57 R HN 0.599 nan 8.270 nan 0.000 0.464 58 P HA -0.085 nan 4.420 nan 0.000 0.231 58 P C 0.219 177.054 177.300 -0.776 0.000 1.168 58 P CA 1.147 63.809 63.100 -0.731 0.000 0.779 58 P CB 0.243 31.223 31.700 -1.200 0.000 0.844 59 F N -0.675 119.214 119.950 -0.102 0.000 2.835 59 F HA 0.340 4.866 4.527 -0.002 0.000 0.342 59 F C 1.802 177.554 175.800 -0.080 0.000 1.202 59 F CA -0.384 57.575 58.000 -0.067 0.000 1.240 59 F CB -0.122 38.821 39.000 -0.095 0.000 1.005 59 F HN -0.253 nan 8.300 nan 0.000 0.507 60 Q N 0.413 120.180 119.800 -0.054 0.000 2.269 60 Q HA 0.094 4.433 4.340 -0.002 0.000 0.201 60 Q C 0.887 176.844 176.000 -0.072 0.000 0.946 60 Q CA 0.683 56.414 55.803 -0.119 0.000 0.877 60 Q CB 0.300 28.867 28.738 -0.286 0.000 0.963 60 Q HN 0.466 nan 8.270 nan 0.000 0.472 61 S N -1.993 113.697 115.700 -0.017 0.000 2.697 61 S HA 0.461 4.930 4.470 -0.002 0.000 0.289 61 S C 0.910 175.589 174.600 0.131 0.000 1.149 61 S CA -0.766 57.468 58.200 0.057 0.000 0.850 61 S CB 0.642 63.883 63.200 0.067 0.000 1.151 61 S HN -0.012 nan 8.310 nan 0.000 0.491 62 I N 0.722 121.372 120.570 0.134 0.000 2.163 62 I HA -0.154 4.015 4.170 -0.002 0.000 0.243 62 I C 2.130 178.278 176.117 0.052 0.000 1.085 62 I CA 1.403 62.804 61.300 0.169 0.000 1.347 62 I CB -0.449 37.667 38.000 0.194 0.000 1.044 62 I HN 0.620 nan 8.210 nan 0.000 0.408 63 I N -0.161 120.437 120.570 0.048 0.000 2.163 63 I HA -0.377 3.792 4.170 -0.002 0.000 0.243 63 I C 2.591 178.674 176.117 -0.057 0.000 1.085 63 I CA 1.629 62.917 61.300 -0.020 0.000 1.347 63 I CB -0.620 37.385 38.000 0.008 0.000 1.044 63 I HN 0.286 nan 8.210 nan 0.000 0.408 64 H N 0.046 119.065 119.070 -0.085 0.000 2.353 64 H HA -0.111 4.444 4.556 -0.002 0.000 0.300 64 H C 2.336 177.592 175.328 -0.120 0.000 1.090 64 H CA 1.416 57.393 56.048 -0.119 0.000 1.327 64 H CB -0.019 29.668 29.762 -0.125 0.000 1.383 64 H HN 0.405 nan 8.280 nan 0.000 0.508 65 A N 1.317 124.205 122.820 0.113 0.000 1.902 65 A HA -0.183 4.135 4.320 -0.002 0.000 0.217 65 A C 2.342 179.926 177.584 0.000 0.000 1.181 65 A CA 1.687 53.869 52.037 0.243 0.000 0.623 65 A CB -0.374 18.894 19.000 0.447 0.000 0.818 65 A HN 0.302 nan 8.150 nan 0.000 0.443 66 K N 0.162 120.312 120.400 -0.417 0.000 2.097 66 K HA -0.181 4.138 4.320 -0.002 0.000 0.205 66 K C 2.247 178.653 176.600 -0.324 0.000 1.050 66 K CA 1.439 57.205 56.287 -0.868 0.000 0.938 66 K CB -0.167 31.651 32.500 -1.137 0.000 0.718 66 K HN 0.611 nan 8.250 nan 0.000 0.442 67 R N -0.507 119.864 120.500 -0.216 0.000 2.148 67 R HA 0.004 4.342 4.340 -0.002 0.000 0.223 67 R C 1.721 177.946 176.300 -0.124 0.000 1.088 67 R CA 1.536 57.544 56.100 -0.153 0.000 0.985 67 R CB -0.558 29.623 30.300 -0.199 0.000 0.880 67 R HN -0.033 nan 8.270 nan 0.000 0.451 68 T N 0.726 115.214 114.554 -0.109 0.000 2.701 68 T HA -0.198 4.151 4.350 -0.002 0.000 0.263 68 T C 1.327 176.042 174.700 0.026 0.000 1.040 68 T CA 1.537 63.584 62.100 -0.087 0.000 1.147 68 T CB -0.517 68.248 68.868 -0.172 0.000 0.865 68 T HN 0.320 nan 8.240 nan 0.000 0.426 69 Y N 2.446 122.748 120.300 0.002 0.000 2.102 69 Y HA -0.251 4.298 4.550 -0.001 0.000 0.280 69 Y C 2.706 178.512 175.900 -0.157 0.000 1.178 69 Y CA 1.890 59.977 58.100 -0.022 0.000 1.146 69 Y CB -0.328 38.152 38.460 0.033 0.000 0.968 69 Y HN 0.006 nan 8.280 nan 0.000 0.504 70 R N 0.396 120.812 120.500 -0.141 0.000 2.094 70 R HA -0.272 4.067 4.340 -0.002 0.000 0.239 70 R C 2.385 178.643 176.300 -0.069 0.000 1.137 70 R CA 2.203 58.272 56.100 -0.052 0.000 0.943 70 R CB -0.581 29.823 30.300 0.172 0.000 0.850 70 R HN 0.593 nan 8.270 nan 0.000 0.433 71 E N 0.032 120.176 120.200 -0.094 0.000 2.058 71 E HA -0.230 4.119 4.350 -0.002 0.000 0.194 71 E C 2.037 178.569 176.600 -0.114 0.000 0.997 71 E CA 1.374 57.704 56.400 -0.117 0.000 0.801 71 E CB -0.137 29.473 29.700 -0.151 0.000 0.746 71 E HN 0.295 nan 8.360 nan 0.000 0.450 72 L N 1.229 122.373 121.223 -0.131 0.000 2.017 72 L HA -0.163 4.176 4.340 -0.002 0.000 0.208 72 L C 2.271 179.074 176.870 -0.111 0.000 1.073 72 L CA 1.673 56.444 54.840 -0.113 0.000 0.745 72 L CB -0.475 41.539 42.059 -0.074 0.000 0.894 72 L HN 0.050 nan 8.230 nan 0.000 0.432 73 R N -0.319 120.033 120.500 -0.247 0.000 2.096 73 R HA -0.154 4.185 4.340 -0.002 0.000 0.240 73 R C 2.309 178.679 176.300 0.117 0.000 1.139 73 R CA 1.875 57.892 56.100 -0.139 0.000 0.952 73 R CB -1.198 28.861 30.300 -0.402 0.000 0.854 73 R HN 0.421 nan 8.270 nan 0.000 0.436 74 L N 0.487 121.763 121.223 0.088 0.000 2.017 74 L HA -0.179 4.160 4.340 -0.002 0.000 0.208 74 L C 2.544 179.514 176.870 0.166 0.000 1.073 74 L CA 1.214 56.106 54.840 0.088 0.000 0.745 74 L CB -0.500 41.633 42.059 0.124 0.000 0.894 74 L HN 0.113 nan 8.230 nan 0.000 0.432 75 L N -0.592 120.695 121.223 0.107 0.000 2.093 75 L HA -0.209 4.130 4.340 -0.002 0.000 0.208 75 L C 2.567 179.529 176.870 0.154 0.000 1.085 75 L CA 1.284 56.195 54.840 0.118 0.000 0.755 75 L CB -0.456 41.606 42.059 0.006 0.000 0.904 75 L HN 0.196 nan 8.230 nan 0.000 0.435 76 K N -1.118 119.375 120.400 0.156 0.000 2.211 76 K HA -0.202 4.117 4.320 -0.002 0.000 0.203 76 K C 2.039 178.783 176.600 0.241 0.000 1.050 76 K CA 1.100 57.522 56.287 0.225 0.000 0.945 76 K CB -0.108 32.524 32.500 0.220 0.000 0.732 76 K HN 0.273 nan 8.250 nan 0.000 0.451 77 H N -0.130 119.020 119.070 0.133 0.000 2.403 77 H HA 0.111 4.666 4.556 -0.002 0.000 0.298 77 H C 0.159 175.574 175.328 0.146 0.000 1.059 77 H CA 0.645 56.767 56.048 0.125 0.000 1.363 77 H CB 0.330 30.119 29.762 0.044 0.000 1.410 77 H HN -0.103 nan 8.280 nan 0.000 0.528 78 M N 2.003 121.705 119.600 0.169 0.000 2.220 78 M HA 0.146 4.625 4.480 -0.002 0.000 0.343 78 M C -0.699 175.666 176.300 0.110 0.000 1.470 78 M CA 0.609 56.026 55.300 0.195 0.000 1.161 78 M CB 0.379 33.089 32.600 0.185 0.000 1.737 78 M HN 0.172 nan 8.290 nan 0.000 0.464 79 K N 3.244 123.681 120.400 0.061 0.000 2.646 79 K HA 0.365 4.684 4.320 -0.002 0.000 0.210 79 K C -0.932 175.500 176.600 -0.281 0.000 1.020 79 K CA -0.420 55.836 56.287 -0.052 0.000 1.040 79 K CB 1.421 33.919 32.500 -0.004 0.000 1.253 79 K HN 0.560 nan 8.250 nan 0.000 0.532 80 H N 1.188 119.987 119.070 -0.451 0.000 3.086 80 H HA 0.087 4.642 4.556 -0.002 0.000 0.353 80 H C -0.045 175.094 175.328 -0.314 0.000 1.134 80 H CA -0.304 55.379 56.048 -0.608 0.000 1.248 80 H CB 1.602 30.601 29.762 -1.272 0.000 1.878 80 H HN 0.452 nan 8.280 nan 0.000 0.527 81 E N 2.255 122.193 120.200 -0.436 0.000 2.171 81 E HA -0.172 4.177 4.350 -0.002 0.000 0.197 81 E C 0.365 176.943 176.600 -0.037 0.000 0.997 81 E CA 1.692 57.971 56.400 -0.201 0.000 0.810 81 E CB 0.141 29.695 29.700 -0.242 0.000 0.738 81 E HN 0.532 nan 8.360 nan 0.000 0.467 82 N N -0.557 118.253 118.700 0.183 0.000 2.251 82 N HA 0.104 4.843 4.740 -0.002 0.000 0.217 82 N C -1.397 174.108 175.510 -0.007 0.000 1.124 82 N CA -0.231 52.851 53.050 0.053 0.000 0.843 82 N CB 1.291 39.777 38.487 -0.001 0.000 1.024 82 N HN -0.154 nan 8.380 nan 0.000 0.501 83 V N 1.137 121.062 119.914 0.019 0.000 2.686 83 V HA 0.286 4.405 4.120 -0.002 0.000 0.306 83 V C -0.279 175.879 176.094 0.106 0.000 1.065 83 V CA -1.052 61.252 62.300 0.006 0.000 0.894 83 V CB 2.145 33.878 31.823 -0.150 0.000 1.004 83 V HN 0.010 nan 8.190 nan 0.000 0.424 84 I N 3.724 124.427 120.570 0.223 0.000 2.710 84 I HA 0.531 4.700 4.170 -0.002 0.000 0.286 84 I C 0.835 177.085 176.117 0.221 0.000 1.181 84 I CA 1.279 62.696 61.300 0.195 0.000 1.430 84 I CB 0.728 38.808 38.000 0.133 0.000 1.367 84 I HN 0.803 nan 8.210 nan 0.000 0.577 85 G N 6.120 115.016 108.800 0.161 0.000 2.818 85 G HA2 0.548 4.507 3.960 -0.002 0.000 0.286 85 G HA3 0.548 4.507 3.960 -0.002 0.000 0.286 85 G C -1.786 173.171 174.900 0.096 0.000 1.364 85 G CA -0.833 44.355 45.100 0.147 0.000 0.938 85 G HN 0.551 nan 8.290 nan 0.000 0.490 86 L N 0.892 122.181 121.223 0.111 0.000 2.257 86 L HA 0.458 4.797 4.340 -0.002 0.000 0.290 86 L C 1.008 177.959 176.870 0.135 0.000 1.044 86 L CA -0.378 54.492 54.840 0.050 0.000 0.810 86 L CB 0.847 42.910 42.059 0.007 0.000 1.193 86 L HN 0.526 nan 8.230 nan 0.000 0.425 87 L N 2.539 123.777 121.223 0.026 0.000 2.162 87 L HA 0.195 4.533 4.340 -0.002 0.000 0.205 87 L C 0.030 177.024 176.870 0.207 0.000 1.086 87 L CA 0.608 55.501 54.840 0.089 0.000 0.778 87 L CB -0.011 42.010 42.059 -0.063 0.000 0.928 87 L HN 0.647 nan 8.230 nan 0.000 0.446 88 D N -1.946 118.414 120.400 -0.067 0.000 2.663 88 D HA 0.389 5.028 4.640 -0.002 0.000 0.233 88 D C -1.653 174.386 176.300 -0.434 0.000 1.240 88 D CA -0.207 53.709 54.000 -0.141 0.000 0.774 88 D CB 2.640 43.598 40.800 0.263 0.000 1.443 88 D HN -0.264 nan 8.370 nan 0.000 0.441 89 V N 3.010 122.642 119.914 -0.470 0.000 2.808 89 V HA 0.913 5.032 4.120 -0.002 0.000 0.308 89 V C -1.683 174.430 176.094 0.031 0.000 1.099 89 V CA -0.478 61.632 62.300 -0.315 0.000 0.920 89 V CB 1.232 32.810 31.823 -0.409 0.000 1.014 89 V HN 0.537 nan 8.190 nan 0.000 0.425 90 F N 2.477 122.489 119.950 0.104 0.000 2.685 90 F HA 0.924 5.450 4.527 -0.002 0.000 0.315 90 F C -0.724 175.295 175.800 0.365 0.000 1.126 90 F CA -0.604 57.533 58.000 0.229 0.000 0.950 90 F CB 1.763 40.916 39.000 0.255 0.000 1.360 90 F HN 0.602 nan 8.300 nan 0.000 0.469 91 T N 1.174 116.135 114.554 0.678 0.000 2.952 91 T HA 0.471 4.820 4.350 -0.002 0.000 0.305 91 T C -2.372 172.481 174.700 0.255 0.000 1.064 91 T CA -1.746 60.698 62.100 0.574 0.000 1.008 91 T CB 1.920 71.170 68.868 0.637 0.000 1.078 91 T HN 0.546 nan 8.240 nan 0.000 0.459 92 P HA 0.153 nan 4.420 nan 0.000 0.226 92 P C 0.447 177.571 177.300 -0.293 0.000 1.153 92 P CA 0.134 62.788 63.100 -0.743 0.000 0.777 92 P CB -0.224 31.187 31.700 -0.481 0.000 0.794 93 A N 0.946 123.780 122.820 0.024 0.000 2.540 93 A HA 0.035 4.354 4.320 -0.002 0.000 0.239 93 A C 1.210 178.847 177.584 0.089 0.000 1.061 93 A CA 0.055 52.152 52.037 0.101 0.000 0.758 93 A CB -0.142 19.025 19.000 0.278 0.000 0.991 93 A HN 0.089 nan 8.150 nan 0.000 0.502 94 R N 0.713 121.245 120.500 0.053 0.000 2.334 94 R HA 0.136 4.475 4.340 -0.002 0.000 0.216 94 R C 0.103 176.459 176.300 0.094 0.000 0.905 94 R CA 0.814 56.956 56.100 0.070 0.000 1.064 94 R CB 0.096 30.417 30.300 0.035 0.000 1.046 94 R HN 0.849 nan 8.270 nan 0.000 0.508 95 S N -1.484 114.248 115.700 0.053 0.000 2.596 95 S HA 0.154 4.623 4.470 -0.002 0.000 0.270 95 S C 0.271 174.672 174.600 -0.332 0.000 1.155 95 S CA -0.937 57.242 58.200 -0.036 0.000 0.827 95 S CB 1.240 64.419 63.200 -0.036 0.000 1.130 95 S HN 0.000 nan 8.310 nan 0.000 0.467 96 L N 1.409 122.279 121.223 -0.587 0.000 2.079 96 L HA 0.056 4.395 4.340 -0.002 0.000 0.210 96 L C 2.447 179.135 176.870 -0.303 0.000 1.081 96 L CA 2.527 56.892 54.840 -0.791 0.000 0.752 96 L CB -0.897 40.827 42.059 -0.558 0.000 0.896 96 L HN 1.020 nan 8.230 nan 0.000 0.433 97 E N -0.136 119.957 120.200 -0.178 0.000 2.070 97 E HA -0.297 4.052 4.350 -0.002 0.000 0.197 97 E C 1.851 178.412 176.600 -0.065 0.000 1.004 97 E CA 1.763 58.104 56.400 -0.098 0.000 0.805 97 E CB -0.190 29.470 29.700 -0.067 0.000 0.744 97 E HN 0.819 nan 8.360 nan 0.000 0.451 98 E N -0.244 119.930 120.200 -0.043 0.000 2.489 98 E HA -0.076 4.272 4.350 -0.002 0.000 0.193 98 E C 0.106 176.741 176.600 0.058 0.000 1.057 98 E CA -0.419 55.981 56.400 -0.001 0.000 0.866 98 E CB -0.220 29.483 29.700 0.005 0.000 0.916 98 E HN 0.144 nan 8.360 nan 0.000 0.500 99 F N 2.445 122.311 119.950 -0.140 0.000 2.506 99 F HA 0.211 4.737 4.527 -0.002 0.000 0.371 99 F C 0.417 176.242 175.800 0.041 0.000 1.078 99 F CA -0.247 57.712 58.000 -0.067 0.000 1.195 99 F CB 0.859 39.713 39.000 -0.244 0.000 1.099 99 F HN -0.112 nan 8.300 nan 0.000 0.548 100 N N 2.541 121.087 118.700 -0.256 0.000 1.899 100 N HA 0.052 4.791 4.740 -0.002 0.000 0.223 100 N C -1.760 173.606 175.510 -0.241 0.000 1.411 100 N CA -0.010 52.923 53.050 -0.196 0.000 0.737 100 N CB 0.434 38.877 38.487 -0.074 0.000 1.100 100 N HN 0.509 nan 8.380 nan 0.000 0.527 101 D N 0.016 120.279 120.400 -0.227 0.000 2.738 101 D HA 0.425 5.064 4.640 -0.002 0.000 0.237 101 D C -0.861 175.355 176.300 -0.140 0.000 1.123 101 D CA -0.281 53.563 54.000 -0.261 0.000 0.856 101 D CB 3.011 43.706 40.800 -0.175 0.000 1.552 101 D HN -0.261 nan 8.370 nan 0.000 0.480 102 V N 2.374 122.096 119.914 -0.319 0.000 2.540 102 V HA 0.408 4.527 4.120 -0.002 0.000 0.302 102 V C -1.178 174.631 176.094 -0.475 0.000 1.035 102 V CA -0.688 61.514 62.300 -0.164 0.000 0.873 102 V CB 1.318 33.074 31.823 -0.112 0.000 0.992 102 V HN 0.407 nan 8.190 nan 0.000 0.428 103 Y N 4.566 124.564 120.300 -0.502 0.000 2.376 103 Y HA 0.695 5.244 4.550 -0.002 0.000 0.340 103 Y C -0.184 175.300 175.900 -0.694 0.000 0.965 103 Y CA -0.756 56.888 58.100 -0.761 0.000 1.078 103 Y CB 1.837 39.440 38.460 -1.427 0.000 1.193 103 Y HN 0.429 nan 8.280 nan 0.000 0.452 104 L N 4.302 125.320 121.223 -0.341 0.000 2.322 104 L HA 0.717 5.056 4.340 -0.002 0.000 0.281 104 L C -0.904 175.837 176.870 -0.216 0.000 1.014 104 L CA -1.060 53.615 54.840 -0.275 0.000 0.815 104 L CB 1.511 43.440 42.059 -0.216 0.000 1.247 104 L HN 0.307 nan 8.230 nan 0.000 0.421 105 V N 1.619 121.411 119.914 -0.204 0.000 2.417 105 V HA 0.663 4.782 4.120 -0.002 0.000 0.291 105 V C 0.256 176.277 176.094 -0.121 0.000 1.024 105 V CA -0.380 61.827 62.300 -0.154 0.000 0.861 105 V CB 1.688 33.420 31.823 -0.152 0.000 0.985 105 V HN 0.932 nan 8.190 nan 0.000 0.436 106 T N 0.442 114.935 114.554 -0.102 0.000 2.864 106 T HA 0.510 4.858 4.350 -0.002 0.000 0.289 106 T C -0.294 174.342 174.700 -0.108 0.000 1.082 106 T CA -0.807 61.235 62.100 -0.096 0.000 1.009 106 T CB 1.423 70.265 68.868 -0.044 0.000 1.234 106 T HN 0.559 nan 8.240 nan 0.000 0.526 107 H N 0.143 119.220 119.070 0.010 0.000 2.871 107 H HA 0.281 4.836 4.556 -0.002 0.000 0.355 107 H C -0.389 174.934 175.328 -0.009 0.000 1.092 107 H CA -0.087 55.968 56.048 0.011 0.000 1.420 107 H CB 0.801 30.569 29.762 0.010 0.000 1.400 107 H HN 0.440 nan 8.280 nan 0.000 0.604 108 L N 4.394 125.699 121.223 0.137 0.000 2.287 108 L HA 0.233 4.572 4.340 -0.002 0.000 0.287 108 L C -0.456 176.448 176.870 0.057 0.000 1.022 108 L CA -0.398 54.480 54.840 0.063 0.000 0.814 108 L CB 0.672 42.767 42.059 0.060 0.000 1.217 108 L HN 0.441 nan 8.230 nan 0.000 0.420 109 M N 3.180 122.785 119.600 0.008 0.000 2.444 109 M HA 0.360 4.839 4.480 -0.002 0.000 0.319 109 M C 1.355 177.651 176.300 -0.006 0.000 1.183 109 M CA -0.191 55.107 55.300 -0.004 0.000 1.032 109 M CB 0.981 33.562 32.600 -0.030 0.000 1.569 109 M HN 0.714 nan 8.290 nan 0.000 0.468 110 G N 0.876 109.676 108.800 0.001 0.000 2.471 110 G HA2 0.269 4.228 3.960 -0.002 0.000 0.219 110 G HA3 0.269 4.228 3.960 -0.002 0.000 0.219 110 G C 0.374 175.275 174.900 0.003 0.000 1.125 110 G CA 0.846 45.950 45.100 0.007 0.000 0.775 110 G HN 0.846 nan 8.290 nan 0.000 0.548 111 A N -0.362 122.454 122.820 -0.008 0.000 2.581 111 A HA 0.605 4.924 4.320 -0.002 0.000 0.290 111 A C -1.583 175.995 177.584 -0.011 0.000 1.119 111 A CA -0.229 51.808 52.037 0.000 0.000 0.670 111 A CB 0.964 19.966 19.000 0.003 0.000 1.280 111 A HN 0.218 nan 8.150 nan 0.000 0.425 112 D N -0.895 119.515 120.400 0.016 0.000 2.384 112 D HA 0.472 5.111 4.640 -0.002 0.000 0.250 112 D C 0.636 176.937 176.300 0.002 0.000 1.029 112 D CA -0.664 53.344 54.000 0.014 0.000 0.990 112 D CB 0.710 41.560 40.800 0.084 0.000 1.175 112 D HN 0.268 nan 8.370 nan 0.000 0.532 113 L N 0.864 122.077 121.223 -0.016 0.000 2.201 113 L HA -0.021 4.318 4.340 -0.002 0.000 0.212 113 L C 1.570 178.435 176.870 -0.008 0.000 1.105 113 L CA 1.539 56.363 54.840 -0.026 0.000 0.775 113 L CB -1.405 40.623 42.059 -0.052 0.000 0.913 113 L HN 0.575 nan 8.230 nan 0.000 0.440 114 N N -0.228 118.472 118.700 0.000 0.000 2.104 114 N HA -0.204 4.535 4.740 -0.002 0.000 0.190 114 N C 1.599 177.128 175.510 0.032 0.000 1.024 114 N CA 1.611 54.673 53.050 0.020 0.000 0.853 114 N CB -0.129 38.372 38.487 0.023 0.000 1.008 114 N HN 0.411 nan 8.380 nan 0.000 0.424 115 N N -0.237 118.481 118.700 0.029 0.000 2.270 115 N HA -0.071 4.668 4.740 -0.002 0.000 0.181 115 N C 1.423 176.944 175.510 0.019 0.000 1.016 115 N CA 0.584 53.650 53.050 0.028 0.000 0.870 115 N CB -0.039 38.466 38.487 0.030 0.000 0.979 115 N HN 0.210 nan 8.380 nan 0.000 0.431 116 I N 0.930 121.504 120.570 0.008 0.000 2.099 116 I HA -0.192 3.977 4.170 -0.002 0.000 0.239 116 I C 2.381 178.504 176.117 0.010 0.000 1.066 116 I CA 0.878 62.177 61.300 -0.002 0.000 1.324 116 I CB -0.846 37.141 38.000 -0.021 0.000 1.037 116 I HN -0.081 nan 8.210 nan 0.000 0.401 117 V N 0.562 120.487 119.914 0.019 0.000 2.626 117 V HA -0.169 3.950 4.120 -0.002 0.000 0.252 117 V C 1.690 177.808 176.094 0.039 0.000 1.067 117 V CA 1.040 63.359 62.300 0.033 0.000 1.081 117 V CB -0.450 31.397 31.823 0.040 0.000 0.686 117 V HN 0.336 nan 8.190 nan 0.000 0.468 121 K N 2.112 122.552 120.400 0.067 0.000 2.248 121 K HA 0.411 4.730 4.320 -0.002 0.000 0.281 121 K C -1.019 175.678 176.600 0.162 0.000 1.054 121 K CA -0.188 56.154 56.287 0.092 0.000 0.903 121 K CB 0.452 33.001 32.500 0.081 0.000 1.077 121 K HN 0.464 nan 8.250 nan 0.000 0.474 122 L N 5.135 126.458 121.223 0.166 0.000 2.260 122 L HA 0.196 4.535 4.340 -0.002 0.000 0.289 122 L C 0.842 177.831 176.870 0.199 0.000 1.057 122 L CA -0.745 54.260 54.840 0.275 0.000 0.811 122 L CB 1.096 43.268 42.059 0.188 0.000 1.184 122 L HN 0.794 nan 8.230 nan 0.000 0.429 123 T N -2.230 112.416 114.554 0.153 0.000 2.813 123 T HA -0.006 4.343 4.350 -0.002 0.000 0.297 123 T C 0.859 175.576 174.700 0.027 0.000 1.036 123 T CA -0.527 61.559 62.100 -0.024 0.000 1.044 123 T CB 1.339 70.064 68.868 -0.237 0.000 0.993 123 T HN 0.616 nan 8.240 nan 0.000 0.535 124 D N 0.101 120.522 120.400 0.035 0.000 2.133 124 D HA -0.185 4.454 4.640 -0.002 0.000 0.195 124 D C 1.658 178.003 176.300 0.076 0.000 0.997 124 D CA 1.738 55.795 54.000 0.095 0.000 0.840 124 D CB -0.396 40.463 40.800 0.099 0.000 0.947 124 D HN 0.808 nan 8.370 nan 0.000 0.452 125 D N -1.575 118.822 120.400 -0.006 0.000 2.149 125 D HA -0.172 4.466 4.640 -0.002 0.000 0.198 125 D C 1.757 178.136 176.300 0.131 0.000 0.990 125 D CA 1.348 55.366 54.000 0.030 0.000 0.839 125 D CB -0.148 40.630 40.800 -0.038 0.000 0.948 125 D HN 0.488 nan 8.370 nan 0.000 0.460 126 H N -1.201 117.949 119.070 0.134 0.000 2.353 126 H HA -0.061 4.494 4.556 -0.002 0.000 0.300 126 H C 2.231 177.645 175.328 0.142 0.000 1.090 126 H CA 1.073 57.211 56.048 0.150 0.000 1.327 126 H CB 0.184 30.014 29.762 0.113 0.000 1.383 126 H HN 0.038 nan 8.280 nan 0.000 0.508 127 V N 1.011 121.079 119.914 0.256 0.000 2.343 127 V HA -0.282 3.837 4.120 -0.002 0.000 0.247 127 V C 2.190 178.441 176.094 0.261 0.000 1.051 127 V CA 1.794 64.233 62.300 0.232 0.000 1.036 127 V CB -0.553 31.413 31.823 0.240 0.000 0.654 127 V HN 0.460 nan 8.190 nan 0.000 0.451 128 Q N -1.028 118.877 119.800 0.175 0.000 2.061 128 Q HA -0.242 4.097 4.340 -0.002 0.000 0.204 128 Q C 2.204 178.316 176.000 0.186 0.000 0.984 128 Q CA 2.254 58.108 55.803 0.085 0.000 0.846 128 Q CB -0.326 28.382 28.738 -0.051 0.000 0.902 128 Q HN 0.630 nan 8.270 nan 0.000 0.421 129 F N 0.968 120.771 119.950 -0.245 0.000 2.113 129 F HA -0.132 4.393 4.527 -0.002 0.000 0.297 129 F C 1.745 177.443 175.800 -0.171 0.000 1.103 129 F CA 1.172 58.822 58.000 -0.582 0.000 1.248 129 F CB -0.353 38.367 39.000 -0.468 0.000 0.999 129 F HN -0.027 nan 8.300 nan 0.000 0.475 130 L N -0.346 120.798 121.223 -0.132 0.000 1.994 130 L HA -0.247 4.092 4.340 -0.002 0.000 0.208 130 L C 2.477 179.269 176.870 -0.130 0.000 1.071 130 L CA 0.819 55.534 54.840 -0.209 0.000 0.745 130 L CB -0.711 41.304 42.059 -0.073 0.000 0.892 130 L HN 0.082 nan 8.230 nan 0.000 0.431 131 I N -0.956 119.643 120.570 0.048 0.000 2.286 131 I HA -0.317 3.852 4.170 -0.002 0.000 0.248 131 I C 2.488 178.548 176.117 -0.095 0.000 1.115 131 I CA 1.505 62.859 61.300 0.091 0.000 1.392 131 I CB -1.307 36.900 38.000 0.345 0.000 1.065 131 I HN 0.265 nan 8.210 nan 0.000 0.418 132 Y N 2.230 122.377 120.300 -0.256 0.000 2.114 132 Y HA -0.310 4.239 4.550 -0.002 0.000 0.282 132 Y C 2.729 178.393 175.900 -0.393 0.000 1.165 132 Y CA 2.072 59.805 58.100 -0.612 0.000 1.148 132 Y CB -0.399 37.843 38.460 -0.364 0.000 0.972 132 Y HN 0.256 nan 8.280 nan 0.000 0.504 133 Q N -0.270 119.286 119.800 -0.407 0.000 2.119 133 Q HA -0.133 4.206 4.340 -0.002 0.000 0.201 133 Q C 2.358 178.138 176.000 -0.365 0.000 0.972 133 Q CA 1.845 57.394 55.803 -0.423 0.000 0.847 133 Q CB -0.157 28.324 28.738 -0.429 0.000 0.903 133 Q HN 0.567 nan 8.270 nan 0.000 0.433 134 I N 0.557 120.945 120.570 -0.303 0.000 2.163 134 I HA -0.309 3.860 4.170 -0.002 0.000 0.243 134 I C 2.086 178.033 176.117 -0.283 0.000 1.085 134 I CA 1.202 62.357 61.300 -0.242 0.000 1.347 134 I CB -0.190 37.707 38.000 -0.171 0.000 1.044 134 I HN 0.190 nan 8.210 nan 0.000 0.408 135 L N 0.005 121.025 121.223 -0.338 0.000 2.109 135 L HA -0.155 4.183 4.340 -0.002 0.000 0.207 135 L C 2.737 179.384 176.870 -0.372 0.000 1.086 135 L CA 1.042 55.683 54.840 -0.331 0.000 0.760 135 L CB -0.497 41.349 42.059 -0.355 0.000 0.910 135 L HN 0.193 nan 8.230 nan 0.000 0.437 136 R N 0.262 120.462 120.500 -0.499 0.000 2.081 136 R HA -0.131 4.207 4.340 -0.002 0.000 0.235 136 R C 2.252 178.334 176.300 -0.364 0.000 1.131 136 R CA 1.514 57.371 56.100 -0.406 0.000 0.960 136 R CB -0.471 29.507 30.300 -0.536 0.000 0.856 136 R HN 0.355 nan 8.270 nan 0.000 0.436 137 G N 1.013 109.567 108.800 -0.410 0.000 2.421 137 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.216 137 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.216 137 G C 1.481 176.125 174.900 -0.428 0.000 1.171 137 G CA 0.526 45.295 45.100 -0.551 0.000 0.775 137 G HN 0.230 nan 8.290 nan 0.000 0.543 138 L N 0.195 121.197 121.223 -0.368 0.000 2.083 138 L HA -0.072 4.267 4.340 -0.002 0.000 0.209 138 L C 2.872 179.472 176.870 -0.450 0.000 1.083 138 L CA 1.423 55.979 54.840 -0.472 0.000 0.752 138 L CB -0.313 41.443 42.059 -0.505 0.000 0.899 138 L HN 0.261 nan 8.230 nan 0.000 0.433 139 K N -0.331 119.904 120.400 -0.276 0.000 2.063 139 K HA -0.282 4.037 4.320 -0.002 0.000 0.208 139 K C 2.241 178.793 176.600 -0.080 0.000 1.048 139 K CA 1.909 58.121 56.287 -0.125 0.000 0.928 139 K CB -0.282 32.179 32.500 -0.065 0.000 0.713 139 K HN 0.194 nan 8.250 nan 0.000 0.442 140 Y N 1.347 121.473 120.300 -0.290 0.000 2.133 140 Y HA -0.176 4.373 4.550 -0.002 0.000 0.287 140 Y C 1.957 177.731 175.900 -0.210 0.000 1.134 140 Y CA 1.740 59.688 58.100 -0.255 0.000 1.133 140 Y CB -0.206 37.953 38.460 -0.503 0.000 0.987 140 Y HN -0.010 nan 8.280 nan 0.000 0.502 141 I N -0.252 120.210 120.570 -0.181 0.000 2.118 141 I HA -0.425 3.744 4.170 -0.002 0.000 0.241 141 I C 2.270 178.346 176.117 -0.070 0.000 1.070 141 I CA 2.100 63.261 61.300 -0.231 0.000 1.327 141 I CB -0.720 37.103 38.000 -0.295 0.000 1.034 141 I HN 0.366 nan 8.210 nan 0.000 0.405 142 H N -0.147 118.860 119.070 -0.105 0.000 2.456 142 H HA -0.127 4.428 4.556 -0.002 0.000 0.296 142 H C 2.456 177.749 175.328 -0.057 0.000 1.079 142 H CA 1.174 57.193 56.048 -0.049 0.000 1.322 142 H CB 0.057 29.810 29.762 -0.014 0.000 1.388 142 H HN 0.419 nan 8.280 nan 0.000 0.538 143 S N 0.300 116.009 115.700 0.014 0.000 2.489 143 S HA 0.049 4.518 4.470 -0.002 0.000 0.228 143 S C 1.943 176.512 174.600 -0.052 0.000 0.995 143 S CA 0.441 58.624 58.200 -0.028 0.000 0.934 143 S CB 0.242 63.402 63.200 -0.067 0.000 0.771 143 S HN 0.385 nan 8.310 nan 0.000 0.522 144 A N 1.083 123.850 122.820 -0.089 0.000 2.345 144 A HA 0.296 4.615 4.320 -0.002 0.000 0.225 144 A C 0.420 178.042 177.584 0.064 0.000 1.243 144 A CA 0.190 52.213 52.037 -0.023 0.000 0.875 144 A CB -0.303 18.638 19.000 -0.098 0.000 0.929 144 A HN 0.379 nan 8.150 nan 0.000 0.502 145 D N -0.954 119.477 120.400 0.051 0.000 2.870 145 D HA -0.155 4.484 4.640 -0.002 0.000 0.228 145 D C -0.309 176.050 176.300 0.099 0.000 1.147 145 D CA 0.983 55.023 54.000 0.068 0.000 0.757 145 D CB -1.436 39.400 40.800 0.061 0.000 1.091 145 D HN 0.534 nan 8.370 nan 0.000 0.429 146 I N 0.723 121.346 120.570 0.088 0.000 2.392 146 I HA 0.325 4.494 4.170 -0.002 0.000 0.295 146 I C 0.906 177.118 176.117 0.159 0.000 0.985 146 I CA -0.658 60.704 61.300 0.103 0.000 1.221 146 I CB 1.330 39.334 38.000 0.006 0.000 1.366 146 I HN -0.129 nan 8.210 nan 0.000 0.467 147 I N 5.006 125.676 120.570 0.167 0.000 2.412 147 I HA 0.191 4.360 4.170 -0.002 0.000 0.296 147 I C 1.148 177.422 176.117 0.262 0.000 0.987 147 I CA -0.534 60.898 61.300 0.220 0.000 1.180 147 I CB 1.449 39.567 38.000 0.196 0.000 1.340 147 I HN 0.659 nan 8.210 nan 0.000 0.455 148 H N 6.377 125.591 119.070 0.240 0.000 2.284 148 H HA 0.009 4.564 4.556 -0.002 0.000 0.304 148 H C 1.210 176.636 175.328 0.162 0.000 1.069 148 H CA 2.085 58.266 56.048 0.222 0.000 1.327 148 H CB 0.411 30.289 29.762 0.192 0.000 1.387 148 H HN 0.647 nan 8.280 nan 0.000 0.498 149 R N -1.161 119.564 120.500 0.374 0.000 3.769 149 R HA -0.188 4.151 4.340 -0.002 0.000 0.443 149 R C -0.219 176.207 176.300 0.209 0.000 0.647 149 R CA 1.476 57.693 56.100 0.196 0.000 1.563 149 R CB -1.469 28.916 30.300 0.143 0.000 2.174 149 R HN 0.358 nan 8.270 nan 0.000 0.403 150 D N 0.263 120.943 120.400 0.467 0.000 2.908 150 D HA 0.196 4.835 4.640 -0.002 0.000 0.361 150 D C -1.121 175.203 176.300 0.040 0.000 1.416 150 D CA -0.383 53.784 54.000 0.278 0.000 0.796 150 D CB 0.414 41.411 40.800 0.327 0.000 1.185 150 D HN 0.004 nan 8.370 nan 0.000 0.451 151 L N 2.116 123.162 121.223 -0.295 0.000 2.410 151 L HA 0.337 4.676 4.340 -0.002 0.000 0.273 151 L C 0.015 176.722 176.870 -0.271 0.000 1.144 151 L CA 0.705 55.212 54.840 -0.555 0.000 0.863 151 L CB 0.013 41.804 42.059 -0.447 0.000 1.140 151 L HN 0.161 nan 8.230 nan 0.000 0.463 152 K N 2.975 123.176 120.400 -0.330 0.000 2.579 152 K HA 0.504 4.823 4.320 -0.002 0.000 0.284 152 K C -2.736 173.601 176.600 -0.438 0.000 0.990 152 K CA -1.624 54.322 56.287 -0.568 0.000 0.880 152 K CB 0.750 32.953 32.500 -0.494 0.000 1.488 152 K HN 0.016 nan 8.250 nan 0.000 0.425 153 P HA -0.251 nan 4.420 nan 0.000 0.216 153 P C 1.187 178.417 177.300 -0.116 0.000 1.150 153 P CA 1.959 64.911 63.100 -0.246 0.000 0.843 153 P CB 0.062 31.650 31.700 -0.186 0.000 0.787 154 S N -0.741 114.905 115.700 -0.091 0.000 2.507 154 S HA -0.098 4.371 4.470 -0.002 0.000 0.235 154 S C 1.177 175.872 174.600 0.157 0.000 0.988 154 S CA 0.940 59.166 58.200 0.043 0.000 0.944 154 S CB -1.294 61.913 63.200 0.012 0.000 0.762 154 S HN 0.242 nan 8.310 nan 0.000 0.526 155 N N 0.774 119.513 118.700 0.065 0.000 2.275 155 N HA 0.273 5.012 4.740 -0.002 0.000 0.236 155 N C -0.671 174.858 175.510 0.033 0.000 1.154 155 N CA -0.394 52.725 53.050 0.115 0.000 0.866 155 N CB -0.255 38.346 38.487 0.189 0.000 1.093 155 N HN 0.374 nan 8.380 nan 0.000 0.515 156 L N 0.730 121.941 121.223 -0.019 0.000 2.295 156 L HA 0.715 5.054 4.340 -0.002 0.000 0.281 156 L C -0.200 176.639 176.870 -0.051 0.000 1.018 156 L CA -1.044 53.767 54.840 -0.047 0.000 0.841 156 L CB 1.445 43.454 42.059 -0.082 0.000 1.218 156 L HN 0.108 nan 8.230 nan 0.000 0.424 157 A N 4.031 126.814 122.820 -0.061 0.000 2.309 157 A HA 0.806 5.125 4.320 -0.002 0.000 0.298 157 A C -0.423 177.121 177.584 -0.067 0.000 1.165 157 A CA -0.393 51.599 52.037 -0.075 0.000 0.821 157 A CB 1.059 20.000 19.000 -0.098 0.000 1.102 157 A HN 0.424 nan 8.150 nan 0.000 0.500 158 V N 3.605 123.485 119.914 -0.057 0.000 2.733 158 V HA 0.312 4.431 4.120 -0.002 0.000 0.306 158 V C -0.461 175.612 176.094 -0.036 0.000 1.084 158 V CA -0.984 61.282 62.300 -0.056 0.000 0.905 158 V CB 1.895 33.683 31.823 -0.059 0.000 1.010 158 V HN 1.121 nan 8.190 nan 0.000 0.424 159 N N 2.892 121.575 118.700 -0.029 0.000 2.448 159 N HA 0.266 5.005 4.740 -0.002 0.000 0.274 159 N C 0.683 176.194 175.510 0.002 0.000 1.239 159 N CA -0.602 52.443 53.050 -0.009 0.000 0.982 159 N CB 0.584 39.067 38.487 -0.007 0.000 1.199 159 N HN 0.494 nan 8.380 nan 0.000 0.576 160 E N -0.844 119.362 120.200 0.010 0.000 2.265 160 E HA -0.120 4.229 4.350 -0.002 0.000 0.196 160 E C -0.245 176.370 176.600 0.025 0.000 0.996 160 E CA 0.962 57.370 56.400 0.012 0.000 0.832 160 E CB -0.189 29.520 29.700 0.015 0.000 0.756 160 E HN 0.569 nan 8.360 nan 0.000 0.491 161 D N -0.518 119.910 120.400 0.046 0.000 2.336 161 D HA 0.041 4.680 4.640 -0.002 0.000 0.228 161 D C 0.397 176.799 176.300 0.171 0.000 1.120 161 D CA -0.077 53.975 54.000 0.086 0.000 0.839 161 D CB -0.255 40.596 40.800 0.084 0.000 0.932 161 D HN 0.042 nan 8.370 nan 0.000 0.509 162 C N 1.427 120.790 119.300 0.105 0.000 4.233 162 C HA -0.192 4.267 4.460 -0.002 0.000 0.292 162 C C 0.639 175.649 174.990 0.034 0.000 1.469 162 C CA 0.131 59.203 59.018 0.090 0.000 2.013 162 C CB -2.405 25.415 27.740 0.134 0.000 1.282 162 C HN 0.387 nan 8.230 nan 0.000 0.796 163 E N -0.333 119.899 120.200 0.053 0.000 2.338 163 E HA 0.538 4.886 4.350 -0.002 0.000 0.272 163 E C -0.081 176.449 176.600 -0.117 0.000 1.029 163 E CA -0.130 56.240 56.400 -0.051 0.000 0.872 163 E CB 1.077 30.795 29.700 0.031 0.000 1.015 163 E HN 0.566 nan 8.360 nan 0.000 0.417 164 L N 2.425 123.540 121.223 -0.180 0.000 2.381 164 L HA 0.491 4.830 4.340 -0.002 0.000 0.268 164 L C -1.251 175.551 176.870 -0.115 0.000 0.997 164 L CA -0.581 54.164 54.840 -0.159 0.000 0.818 164 L CB 1.228 43.151 42.059 -0.227 0.000 1.310 164 L HN 0.399 nan 8.230 nan 0.000 0.416 165 K N 5.156 125.511 120.400 -0.075 0.000 2.371 165 K HA 0.554 4.872 4.320 -0.002 0.000 0.251 165 K C -1.252 175.346 176.600 -0.004 0.000 0.934 165 K CA -0.664 55.604 56.287 -0.032 0.000 0.798 165 K CB 2.523 35.020 32.500 -0.005 0.000 1.204 165 K HN 0.511 nan 8.250 nan 0.000 0.427 166 I N 4.487 125.083 120.570 0.043 0.000 2.371 166 I HA 0.217 4.386 4.170 -0.002 0.000 0.290 166 I C -0.234 176.047 176.117 0.273 0.000 1.028 166 I CA -0.527 60.853 61.300 0.133 0.000 1.345 166 I CB 0.407 38.489 38.000 0.137 0.000 1.407 166 I HN 0.278 nan 8.210 nan 0.000 0.501 167 L N 5.223 126.573 121.223 0.212 0.000 2.322 167 L HA 0.528 4.867 4.340 -0.002 0.000 0.269 167 L C 0.127 177.040 176.870 0.072 0.000 1.012 167 L CA -0.730 54.167 54.840 0.096 0.000 0.815 167 L CB 1.008 43.056 42.059 -0.018 0.000 1.295 167 L HN 0.556 nan 8.230 nan 0.000 0.438 168 D N -0.085 120.116 120.400 -0.333 0.000 3.090 168 D HA -0.189 4.450 4.640 -0.002 0.000 0.215 168 D C -0.286 175.617 176.300 -0.661 0.000 1.140 168 D CA 0.965 54.743 54.000 -0.370 0.000 0.937 168 D CB -1.300 39.476 40.800 -0.040 0.000 1.108 168 D HN 0.375 nan 8.370 nan 0.000 0.420 169 F N -1.221 118.401 119.950 -0.547 0.000 2.444 169 F HA 0.478 5.004 4.527 -0.002 0.000 0.331 169 F C 1.835 177.424 175.800 -0.352 0.000 1.167 169 F CA -0.198 57.319 58.000 -0.804 0.000 1.262 169 F CB 0.239 39.041 39.000 -0.330 0.000 1.196 169 F HN 0.003 nan 8.300 nan 0.000 0.583 170 G N 1.538 110.320 108.800 -0.029 0.000 2.180 170 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.263 170 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.263 170 G C 0.438 175.328 174.900 -0.018 0.000 0.989 170 G CA 0.612 45.746 45.100 0.057 0.000 0.692 170 G HN 0.725 nan 8.290 nan 0.000 0.526 171 L N -1.044 120.112 121.223 -0.112 0.000 2.664 171 L HA 0.437 4.776 4.340 -0.002 0.000 0.233 171 L C 2.505 179.324 176.870 -0.085 0.000 1.113 171 L CA 0.722 55.492 54.840 -0.115 0.000 0.896 171 L CB -0.331 41.616 42.059 -0.186 0.000 1.163 171 L HN 0.835 nan 8.230 nan 0.000 0.497 172 A N 1.413 124.210 122.820 -0.038 0.000 5.065 172 A HA -0.407 3.912 4.320 -0.002 0.000 0.353 172 A C 0.969 178.537 177.584 -0.027 0.000 1.666 172 A CA 2.728 54.774 52.037 0.016 0.000 0.694 172 A CB -1.041 17.985 19.000 0.043 0.000 1.495 172 A HN 0.670 nan 8.150 nan 0.000 0.410 173 R N -1.269 119.186 120.500 -0.076 0.000 3.953 173 R HA -0.174 4.165 4.340 -0.002 0.000 0.437 173 R C -0.190 176.049 176.300 -0.102 0.000 0.241 173 R CA 1.559 57.554 56.100 -0.175 0.000 1.386 173 R CB -1.714 28.393 30.300 -0.321 0.000 1.086 173 R HN 2.586 nan 8.270 nan 0.000 0.523 174 H N -1.834 117.208 119.070 -0.047 0.000 4.489 174 H HA -0.079 4.476 4.556 -0.002 0.000 0.348 174 H C -0.289 175.021 175.328 -0.031 0.000 0.807 174 H CA 0.749 56.772 56.048 -0.042 0.000 0.974 174 H CB -1.249 28.488 29.762 -0.041 0.000 1.238 174 H HN 1.055 nan 8.280 nan 0.000 0.345 175 T N -0.529 114.077 114.554 0.087 0.000 2.868 175 T HA 0.129 4.478 4.350 -0.002 0.000 0.292 175 T C 1.273 176.004 174.700 0.052 0.000 1.028 175 T CA -0.247 61.881 62.100 0.047 0.000 1.059 175 T CB 1.363 70.244 68.868 0.022 0.000 0.991 175 T HN 0.387 nan 8.240 nan 0.000 0.531 176 D N 0.567 120.987 120.400 0.033 0.000 2.123 176 D HA -0.123 4.516 4.640 -0.002 0.000 0.196 176 D C 1.626 177.945 176.300 0.030 0.000 0.992 176 D CA 1.548 55.566 54.000 0.030 0.000 0.833 176 D CB -0.374 40.428 40.800 0.005 0.000 0.954 176 D HN 0.824 nan 8.370 nan 0.000 0.455 177 D N 0.626 121.037 120.400 0.019 0.000 2.117 177 D HA -0.137 4.502 4.640 -0.002 0.000 0.197 177 D C 1.764 178.068 176.300 0.008 0.000 0.987 177 D CA 0.983 54.991 54.000 0.013 0.000 0.829 177 D CB 0.088 40.892 40.800 0.007 0.000 0.961 177 D HN 0.205 nan 8.370 nan 0.000 0.460 178 E N -0.985 119.222 120.200 0.012 0.000 2.153 178 E HA -0.125 4.224 4.350 -0.002 0.000 0.194 178 E C 1.481 178.039 176.600 -0.070 0.000 0.988 178 E CA 0.634 57.031 56.400 -0.005 0.000 0.811 178 E CB 0.036 29.782 29.700 0.077 0.000 0.746 178 E HN 0.376 nan 8.360 nan 0.000 0.466 179 M N 0.535 120.110 119.600 -0.042 0.000 2.495 179 M HA 0.070 4.549 4.480 -0.002 0.000 0.237 179 M C 0.230 176.536 176.300 0.010 0.000 1.131 179 M CA 0.571 55.826 55.300 -0.075 0.000 1.032 179 M CB 0.068 32.659 32.600 -0.015 0.000 1.513 179 M HN -0.171 nan 8.290 nan 0.000 0.488 180 T N 0.961 115.538 114.554 0.038 0.000 2.845 180 T HA 0.579 4.928 4.350 -0.002 0.000 0.288 180 T C 0.793 175.524 174.700 0.052 0.000 0.980 180 T CA 0.467 62.620 62.100 0.089 0.000 1.071 180 T CB 1.544 70.449 68.868 0.061 0.000 0.941 180 T HN 0.635 nan 8.240 nan 0.000 0.487 181 G N 1.913 110.775 108.800 0.104 0.000 2.527 181 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.227 181 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.227 181 G C -0.794 174.222 174.900 0.193 0.000 1.291 181 G CA -0.560 44.623 45.100 0.138 0.000 0.904 181 G HN 0.770 nan 8.290 nan 0.000 0.577 182 Y N 1.703 122.071 120.300 0.113 0.000 2.632 182 Y HA 0.493 5.042 4.550 -0.002 0.000 0.336 182 Y C 0.742 176.702 175.900 0.100 0.000 1.237 182 Y CA -0.042 58.220 58.100 0.271 0.000 1.595 182 Y CB -0.054 38.563 38.460 0.261 0.000 1.508 182 Y HN 1.122 nan 8.280 nan 0.000 0.480 183 V N 1.436 121.057 119.914 -0.489 0.000 2.686 183 V HA 0.722 4.841 4.120 -0.002 0.000 0.306 183 V C 0.549 175.521 176.094 -1.871 0.000 1.065 183 V CA -0.381 61.364 62.300 -0.926 0.000 0.894 183 V CB 1.049 32.604 31.823 -0.447 0.000 1.004 183 V HN 0.518 nan 8.190 nan 0.000 0.424 184 A N 2.774 124.518 122.820 -1.793 0.000 2.070 184 A HA -0.067 4.252 4.320 -0.002 0.000 0.220 184 A C 2.105 179.367 177.584 -0.538 0.000 1.159 184 A CA 2.361 53.654 52.037 -1.241 0.000 0.656 184 A CB -0.896 17.842 19.000 -0.436 0.000 0.800 184 A HN 1.580 nan 8.150 nan 0.000 0.453 185 T N -2.759 111.476 114.554 -0.531 0.000 2.849 185 T HA -0.153 4.196 4.350 -0.002 0.000 0.270 185 T C 1.794 176.281 174.700 -0.354 0.000 1.066 185 T CA 1.523 63.388 62.100 -0.392 0.000 1.130 185 T CB -0.183 68.434 68.868 -0.417 0.000 0.864 185 T HN 0.525 nan 8.240 nan 0.000 0.481 186 R N -1.490 118.758 120.500 -0.421 0.000 2.307 186 R HA 0.159 4.498 4.340 -0.002 0.000 0.200 186 R C 1.434 177.681 176.300 -0.088 0.000 0.893 186 R CA -0.154 55.776 56.100 -0.282 0.000 1.042 186 R CB 0.172 30.266 30.300 -0.344 0.000 1.059 186 R HN 0.380 nan 8.270 nan 0.000 0.530 187 W N 0.045 121.237 121.300 -0.180 0.000 2.465 187 W HA -0.082 4.577 4.660 -0.002 0.000 0.268 187 W C 0.662 176.948 176.519 -0.389 0.000 1.242 187 W CA 0.563 57.706 57.345 -0.337 0.000 1.248 187 W CB -0.498 28.612 29.460 -0.584 0.000 1.118 187 W HN 0.145 nan 8.180 nan 0.000 0.587 188 Y N -0.655 119.796 120.300 0.253 0.000 2.458 188 Y HA 0.255 4.804 4.550 -0.002 0.000 0.256 188 Y C 1.141 177.201 175.900 0.266 0.000 1.159 188 Y CA -0.487 57.758 58.100 0.243 0.000 1.261 188 Y CB -0.366 38.167 38.460 0.121 0.000 1.119 188 Y HN -0.403 nan 8.280 nan 0.000 0.524 189 R N 1.610 122.249 120.500 0.231 0.000 2.340 189 R HA 0.520 4.859 4.340 -0.002 0.000 0.300 189 R C 0.094 176.333 176.300 -0.102 0.000 1.069 189 R CA -0.104 56.025 56.100 0.048 0.000 0.984 189 R CB 0.426 30.662 30.300 -0.108 0.000 1.003 189 R HN 0.224 nan 8.270 nan 0.000 0.459 190 A N 6.461 129.105 122.820 -0.293 0.000 2.511 190 A HA 0.166 4.485 4.320 -0.002 0.000 0.242 190 A C -1.489 175.579 177.584 -0.860 0.000 1.069 190 A CA -1.014 50.474 52.037 -0.915 0.000 0.763 190 A CB 0.039 18.738 19.000 -0.501 0.000 1.001 190 A HN 0.724 nan 8.150 nan 0.000 0.498 191 P HA -0.206 nan 4.420 nan 0.000 0.220 191 P C 1.058 177.612 177.300 -1.243 0.000 1.148 191 P CA 1.480 63.954 63.100 -1.043 0.000 0.803 191 P CB 0.078 31.121 31.700 -1.095 0.000 0.782 192 E N 0.285 119.875 120.200 -1.018 0.000 2.265 192 E HA -0.151 4.198 4.350 -0.002 0.000 0.196 192 E C 2.050 178.391 176.600 -0.432 0.000 0.996 192 E CA 0.811 56.799 56.400 -0.686 0.000 0.832 192 E CB -1.008 28.624 29.700 -0.113 0.000 0.756 192 E HN 0.336 nan 8.360 nan 0.000 0.491 193 I N -0.496 119.798 120.570 -0.460 0.000 2.927 193 I HA -0.018 4.151 4.170 -0.002 0.000 0.268 193 I C 2.637 178.571 176.117 -0.304 0.000 1.153 193 I CA 0.185 61.255 61.300 -0.383 0.000 1.459 193 I CB 0.042 37.666 38.000 -0.628 0.000 1.149 193 I HN 0.015 nan 8.210 nan 0.000 0.443 194 M N 0.607 119.988 119.600 -0.366 0.000 2.108 194 M HA -0.198 4.281 4.480 -0.002 0.000 0.261 194 M C 1.204 177.420 176.300 -0.139 0.000 1.066 194 M CA 2.009 57.155 55.300 -0.258 0.000 1.107 194 M CB 0.058 32.460 32.600 -0.329 0.000 1.356 194 M HN 0.255 nan 8.290 nan 0.000 0.406 195 L N -0.371 120.663 121.223 -0.314 0.000 2.769 195 L HA 0.238 4.577 4.340 -0.002 0.000 0.240 195 L C -0.258 176.585 176.870 -0.044 0.000 1.163 195 L CA -0.298 54.446 54.840 -0.160 0.000 0.962 195 L CB -0.405 41.566 42.059 -0.146 0.000 1.258 195 L HN 0.367 nan 8.230 nan 0.000 0.513 196 N N -0.628 118.026 118.700 -0.077 0.000 2.688 196 N HA -0.242 4.497 4.740 -0.002 0.000 0.258 196 N C 0.325 175.971 175.510 0.227 0.000 1.016 196 N CA 0.248 53.340 53.050 0.070 0.000 0.747 196 N CB -0.663 37.872 38.487 0.081 0.000 0.895 196 N HN 0.401 nan 8.380 nan 0.000 0.543 197 W N 0.026 121.347 121.300 0.034 0.000 2.436 197 W HA 0.152 4.811 4.660 -0.002 0.000 0.284 197 W C 1.365 177.912 176.519 0.046 0.000 1.225 197 W CA 0.756 58.119 57.345 0.031 0.000 1.271 197 W CB -0.310 29.155 29.460 0.008 0.000 1.114 197 W HN 0.432 nan 8.180 nan 0.000 0.559 198 M N -2.664 117.114 119.600 0.296 0.000 3.012 198 M HA 0.241 4.719 4.480 -0.002 0.000 0.272 198 M C -0.596 175.827 176.300 0.206 0.000 1.187 198 M CA -0.906 54.526 55.300 0.220 0.000 0.813 198 M CB 1.935 34.663 32.600 0.214 0.000 1.626 198 M HN -0.212 nan 8.290 nan 0.000 0.507 199 H N 2.505 121.611 119.070 0.061 0.000 3.091 199 H HA 0.235 4.790 4.556 -0.002 0.000 0.289 199 H C -1.629 173.691 175.328 -0.012 0.000 0.995 199 H CA 0.767 56.794 56.048 -0.035 0.000 1.461 199 H CB 0.036 29.758 29.762 -0.068 0.000 1.510 199 H HN 0.620 nan 8.280 nan 0.000 0.546 200 Y N 3.988 124.183 120.300 -0.174 0.000 2.408 200 Y HA 0.389 4.938 4.550 -0.002 0.000 0.324 200 Y C -0.397 175.459 175.900 -0.074 0.000 1.302 200 Y CA -1.025 57.037 58.100 -0.064 0.000 1.384 200 Y CB 0.678 39.089 38.460 -0.081 0.000 1.367 200 Y HN 0.694 nan 8.280 nan 0.000 0.525 201 N N -2.164 116.700 118.700 0.272 0.000 3.344 201 N HA 0.114 4.853 4.740 -0.002 0.000 0.296 201 N C 0.072 175.669 175.510 0.144 0.000 1.571 201 N CA -0.457 52.687 53.050 0.156 0.000 0.844 201 N CB 0.318 38.871 38.487 0.110 0.000 1.718 201 N HN 0.756 nan 8.380 nan 0.000 0.589 202 Q N -1.068 118.718 119.800 -0.023 0.000 2.297 202 Q HA -0.173 4.166 4.340 -0.002 0.000 0.208 202 Q C 0.705 176.620 176.000 -0.141 0.000 0.981 202 Q CA 2.201 57.855 55.803 -0.249 0.000 0.876 202 Q CB -0.879 27.417 28.738 -0.737 0.000 0.921 202 Q HN 0.810 nan 8.270 nan 0.000 0.446 203 T N -0.955 113.595 114.554 -0.006 0.000 2.977 203 T HA -0.101 4.248 4.350 -0.002 0.000 0.271 203 T C 1.925 176.710 174.700 0.141 0.000 1.105 203 T CA 1.090 63.242 62.100 0.086 0.000 1.116 203 T CB -0.703 68.225 68.868 0.100 0.000 0.878 203 T HN 0.379 nan 8.240 nan 0.000 0.509 204 V N 0.360 120.341 119.914 0.112 0.000 2.469 204 V HA -0.154 3.965 4.120 -0.002 0.000 0.251 204 V C 2.059 178.256 176.094 0.170 0.000 1.064 204 V CA 2.012 64.360 62.300 0.081 0.000 1.066 204 V CB -0.820 30.960 31.823 -0.072 0.000 0.667 204 V HN 0.262 nan 8.190 nan 0.000 0.461 205 D N 0.663 121.186 120.400 0.205 0.000 2.178 205 D HA -0.037 4.602 4.640 -0.002 0.000 0.202 205 D C 2.200 178.629 176.300 0.215 0.000 0.974 205 D CA 1.330 55.469 54.000 0.233 0.000 0.841 205 D CB -0.099 40.914 40.800 0.355 0.000 0.953 205 D HN 0.436 nan 8.370 nan 0.000 0.478 206 I N 0.349 121.064 120.570 0.241 0.000 2.315 206 I HA -0.204 3.965 4.170 -0.002 0.000 0.248 206 I C 2.361 178.602 176.117 0.206 0.000 1.117 206 I CA 0.626 62.042 61.300 0.194 0.000 1.404 206 I CB -0.995 37.117 38.000 0.186 0.000 1.071 206 I HN 0.267 nan 8.210 nan 0.000 0.419 207 W N 2.280 123.635 121.300 0.091 0.000 2.335 207 W HA -0.242 4.417 4.660 -0.002 0.000 0.311 207 W C 2.522 179.116 176.519 0.126 0.000 1.213 207 W CA 1.937 59.346 57.345 0.106 0.000 1.274 207 W CB -0.219 29.285 29.460 0.073 0.000 1.148 207 W HN 0.116 nan 8.180 nan 0.000 0.498 208 S N 0.782 116.679 115.700 0.329 0.000 2.368 208 S HA -0.196 4.273 4.470 -0.002 0.000 0.225 208 S C 1.838 176.506 174.600 0.112 0.000 1.030 208 S CA 1.721 60.069 58.200 0.247 0.000 0.999 208 S CB -0.855 62.457 63.200 0.186 0.000 0.844 208 S HN 0.135 nan 8.310 nan 0.000 0.459 209 V N 1.945 121.894 119.914 0.057 0.000 2.332 209 V HA -0.175 3.943 4.120 -0.002 0.000 0.248 209 V C 2.685 178.764 176.094 -0.026 0.000 1.055 209 V CA 1.959 64.263 62.300 0.008 0.000 1.038 209 V CB -1.665 30.162 31.823 0.007 0.000 0.651 209 V HN 0.587 nan 8.190 nan 0.000 0.450 210 G N -0.816 107.937 108.800 -0.078 0.000 2.476 210 G HA2 -0.300 3.658 3.960 -0.002 0.000 0.218 210 G HA3 -0.300 3.658 3.960 -0.002 0.000 0.218 210 G C 1.734 176.515 174.900 -0.199 0.000 1.164 210 G CA 1.473 46.467 45.100 -0.177 0.000 0.768 210 G HN 0.554 nan 8.290 nan 0.000 0.560 211 C N 0.301 119.493 119.300 -0.179 0.000 2.425 211 C HA 0.043 4.502 4.460 -0.002 0.000 0.277 211 C C 2.841 177.866 174.990 0.059 0.000 1.280 211 C CA 0.492 59.455 59.018 -0.092 0.000 1.744 211 C CB -1.045 26.737 27.740 0.070 0.000 1.989 211 C HN 0.468 nan 8.230 nan 0.000 0.491 212 I N 0.345 120.989 120.570 0.124 0.000 2.252 212 I HA -0.247 3.922 4.170 -0.002 0.000 0.245 212 I C 2.678 178.807 176.117 0.021 0.000 1.102 212 I CA 1.587 62.947 61.300 0.100 0.000 1.385 212 I CB -0.442 37.561 38.000 0.006 0.000 1.064 212 I HN 0.355 nan 8.210 nan 0.000 0.414 213 M N 0.781 120.366 119.600 -0.026 0.000 2.086 213 M HA -0.212 4.267 4.480 -0.002 0.000 0.261 213 M C 2.439 178.670 176.300 -0.115 0.000 1.067 213 M CA 2.181 57.450 55.300 -0.052 0.000 1.116 213 M CB -0.130 32.424 32.600 -0.077 0.000 1.348 213 M HN 0.257 nan 8.290 nan 0.000 0.407 214 A N 0.001 122.710 122.820 -0.185 0.000 1.908 214 A HA -0.262 4.057 4.320 -0.002 0.000 0.218 214 A C 1.960 179.506 177.584 -0.064 0.000 1.181 214 A CA 2.168 54.070 52.037 -0.225 0.000 0.627 214 A CB -0.959 17.912 19.000 -0.215 0.000 0.818 214 A HN 0.741 nan 8.150 nan 0.000 0.445 215 E N -0.177 120.004 120.200 -0.032 0.000 2.106 215 E HA -0.109 4.240 4.350 -0.002 0.000 0.192 215 E C 1.887 178.503 176.600 0.027 0.000 0.984 215 E CA 0.806 57.212 56.400 0.011 0.000 0.806 215 E CB -0.182 29.562 29.700 0.072 0.000 0.750 215 E HN 0.649 nan 8.360 nan 0.000 0.458 216 L N 0.535 121.773 121.223 0.025 0.000 2.093 216 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 216 L C 2.507 179.403 176.870 0.044 0.000 1.085 216 L CA 0.716 55.581 54.840 0.042 0.000 0.755 216 L CB -0.378 41.712 42.059 0.052 0.000 0.904 216 L HN 0.259 nan 8.230 nan 0.000 0.435 217 L N -0.413 120.819 121.223 0.016 0.000 2.072 217 L HA -0.146 4.193 4.340 -0.002 0.000 0.205 217 L C 2.640 179.537 176.870 0.044 0.000 1.079 217 L CA 1.917 56.767 54.840 0.018 0.000 0.752 217 L CB -0.572 41.452 42.059 -0.058 0.000 0.906 217 L HN 0.437 nan 8.230 nan 0.000 0.436 218 T N -5.056 109.527 114.554 0.048 0.000 3.014 218 T HA 0.241 4.590 4.350 -0.002 0.000 0.250 218 T C 1.475 176.189 174.700 0.024 0.000 1.060 218 T CA 0.496 62.624 62.100 0.047 0.000 1.040 218 T CB 0.778 69.676 68.868 0.049 0.000 0.971 218 T HN 0.404 nan 8.240 nan 0.000 0.497 219 G N 1.864 110.679 108.800 0.026 0.000 2.159 219 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.256 219 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.256 219 G C 0.036 174.942 174.900 0.010 0.000 0.977 219 G CA -0.102 45.013 45.100 0.025 0.000 0.652 219 G HN 0.658 nan 8.290 nan 0.000 0.531 220 R N 0.219 120.711 120.500 -0.013 0.000 2.750 220 R HA 0.558 4.897 4.340 -0.002 0.000 0.281 220 R C -0.008 176.236 176.300 -0.093 0.000 0.972 220 R CA -0.458 55.610 56.100 -0.053 0.000 0.912 220 R CB 0.741 30.992 30.300 -0.081 0.000 1.187 220 R HN 0.141 nan 8.270 nan 0.000 0.464 221 T N 2.810 117.274 114.554 -0.149 0.000 2.908 221 T HA -0.029 4.320 4.350 -0.002 0.000 0.301 221 T C 1.613 176.106 174.700 -0.344 0.000 1.019 221 T CA -0.124 61.824 62.100 -0.254 0.000 1.152 221 T CB 0.494 69.053 68.868 -0.514 0.000 0.966 221 T HN 0.352 nan 8.240 nan 0.000 0.540 222 L N 2.705 123.685 121.223 -0.406 0.000 2.005 222 L HA 0.201 4.540 4.340 -0.002 0.000 0.207 222 L C 0.403 176.812 176.870 -0.768 0.000 1.072 222 L CA 1.770 56.225 54.840 -0.643 0.000 0.744 222 L CB -0.215 41.333 42.059 -0.853 0.000 0.895 222 L HN 0.645 nan 8.230 nan 0.000 0.433 223 F N 1.096 120.876 119.950 -0.282 0.000 2.531 223 F HA 0.399 4.925 4.527 -0.002 0.000 0.333 223 F C -2.070 173.415 175.800 -0.524 0.000 1.292 223 F CA -2.594 55.250 58.000 -0.260 0.000 1.184 223 F CB 0.048 39.001 39.000 -0.078 0.000 1.426 223 F HN 0.040 nan 8.300 nan 0.000 0.559 224 P HA 0.135 nan 4.420 nan 0.000 0.225 224 P C 0.663 177.706 177.300 -0.430 0.000 1.813 224 P CA 0.222 62.519 63.100 -1.338 0.000 1.013 224 P CB 0.288 31.308 31.700 -1.133 0.000 1.961 225 G N 1.569 110.307 108.800 -0.102 0.000 2.484 225 G HA2 0.130 4.089 3.960 -0.002 0.000 0.235 225 G HA3 0.130 4.089 3.960 -0.002 0.000 0.235 225 G C 1.164 176.312 174.900 0.414 0.000 1.282 225 G CA -0.104 45.108 45.100 0.186 0.000 0.857 225 G HN 0.362 nan 8.290 nan 0.000 0.571 226 T N -1.955 112.802 114.554 0.338 0.000 3.100 226 T HA 0.241 4.590 4.350 -0.002 0.000 0.253 226 T C 0.316 175.175 174.700 0.265 0.000 1.118 226 T CA 0.695 63.017 62.100 0.370 0.000 1.058 226 T CB -0.302 68.680 68.868 0.191 0.000 0.953 226 T HN 0.816 nan 8.240 nan 0.000 0.515 227 D N -1.820 118.711 120.400 0.218 0.000 2.808 227 D HA 0.178 4.817 4.640 -0.002 0.000 0.294 227 D C -0.061 176.350 176.300 0.184 0.000 1.278 227 D CA -0.832 53.288 54.000 0.199 0.000 0.756 227 D CB 0.036 40.934 40.800 0.164 0.000 1.271 227 D HN -0.098 nan 8.370 nan 0.000 0.425 228 H N -0.369 118.722 119.070 0.034 0.000 2.352 228 H HA -0.014 4.541 4.556 -0.002 0.000 0.299 228 H C 1.577 176.920 175.328 0.024 0.000 1.097 228 H CA 1.789 57.842 56.048 0.008 0.000 1.311 228 H CB -0.048 29.698 29.762 -0.027 0.000 1.377 228 H HN 0.350 nan 8.280 nan 0.000 0.504 229 I N 0.141 120.813 120.570 0.171 0.000 2.233 229 I HA -0.177 3.992 4.170 -0.002 0.000 0.243 229 I C 2.121 178.315 176.117 0.128 0.000 1.093 229 I CA 1.342 62.724 61.300 0.136 0.000 1.380 229 I CB -1.013 37.037 38.000 0.084 0.000 1.067 229 I HN 0.257 nan 8.210 nan 0.000 0.413 230 D N 0.558 121.026 120.400 0.114 0.000 2.149 230 D HA -0.275 4.364 4.640 -0.002 0.000 0.198 230 D C 2.258 178.612 176.300 0.089 0.000 0.990 230 D CA 1.411 55.471 54.000 0.101 0.000 0.839 230 D CB 0.059 40.922 40.800 0.105 0.000 0.948 230 D HN 0.305 nan 8.370 nan 0.000 0.460 231 Q N -0.745 119.108 119.800 0.088 0.000 2.084 231 Q HA -0.156 4.183 4.340 -0.002 0.000 0.202 231 Q C 2.203 178.190 176.000 -0.021 0.000 0.978 231 Q CA 1.093 56.924 55.803 0.047 0.000 0.844 231 Q CB -0.203 28.557 28.738 0.037 0.000 0.898 231 Q HN 0.389 nan 8.270 nan 0.000 0.426 232 L N 1.036 122.263 121.223 0.006 0.000 2.042 232 L HA -0.204 4.135 4.340 -0.002 0.000 0.210 232 L C 1.842 178.724 176.870 0.020 0.000 1.076 232 L CA 1.905 56.745 54.840 -0.001 0.000 0.749 232 L CB -0.236 41.891 42.059 0.112 0.000 0.893 232 L HN 0.059 nan 8.230 nan 0.000 0.432 233 K N -0.702 119.734 120.400 0.061 0.000 2.097 233 K HA -0.124 4.195 4.320 -0.002 0.000 0.206 233 K C 2.074 178.703 176.600 0.048 0.000 1.049 233 K CA 1.613 57.937 56.287 0.060 0.000 0.933 233 K CB -0.317 32.226 32.500 0.072 0.000 0.717 233 K HN 0.352 nan 8.250 nan 0.000 0.442 234 L N 0.713 121.966 121.223 0.051 0.000 2.046 234 L HA -0.205 4.133 4.340 -0.002 0.000 0.208 234 L C 2.346 179.277 176.870 0.100 0.000 1.077 234 L CA 1.223 56.129 54.840 0.109 0.000 0.747 234 L CB -0.446 41.718 42.059 0.174 0.000 0.896 234 L HN 0.173 nan 8.230 nan 0.000 0.432 235 I N -0.305 120.160 120.570 -0.174 0.000 2.142 235 I HA -0.313 3.856 4.170 -0.002 0.000 0.240 235 I C 2.403 178.516 176.117 -0.008 0.000 1.078 235 I CA 1.373 62.421 61.300 -0.420 0.000 1.343 235 I CB -0.224 37.449 38.000 -0.546 0.000 1.046 235 I HN 0.189 nan 8.210 nan 0.000 0.405 236 L N 0.083 121.321 121.223 0.025 0.000 2.141 236 L HA -0.185 4.154 4.340 -0.002 0.000 0.209 236 L C 2.709 179.636 176.870 0.096 0.000 1.094 236 L CA 1.043 55.933 54.840 0.082 0.000 0.763 236 L CB -0.638 41.461 42.059 0.066 0.000 0.908 236 L HN 0.253 nan 8.230 nan 0.000 0.437 237 R N 0.434 120.985 120.500 0.086 0.000 2.081 237 R HA -0.215 4.124 4.340 -0.002 0.000 0.235 237 R C 2.298 178.661 176.300 0.104 0.000 1.131 237 R CA 1.537 57.685 56.100 0.079 0.000 0.960 237 R CB -0.127 30.209 30.300 0.061 0.000 0.856 237 R HN 0.221 nan 8.270 nan 0.000 0.436 238 L N 0.202 121.518 121.223 0.155 0.000 2.049 238 L HA -0.056 4.282 4.340 -0.002 0.000 0.203 238 L C 1.932 178.972 176.870 0.284 0.000 1.074 238 L CA 1.507 56.448 54.840 0.168 0.000 0.749 238 L CB -0.015 42.169 42.059 0.209 0.000 0.907 238 L HN 0.140 nan 8.230 nan 0.000 0.439 239 V N -2.271 117.834 119.914 0.317 0.000 3.647 239 V HA 0.596 4.715 4.120 -0.002 0.000 0.279 239 V C 0.883 177.114 176.094 0.229 0.000 1.314 239 V CA 0.091 62.603 62.300 0.353 0.000 1.125 239 V CB -1.179 30.898 31.823 0.423 0.000 0.907 239 V HN 0.662 nan 8.190 nan 0.000 0.434 240 G N 1.051 109.954 108.800 0.172 0.000 2.712 240 G HA2 -0.034 3.925 3.960 -0.002 0.000 0.686 240 G HA3 -0.034 3.925 3.960 -0.002 0.000 0.686 240 G C -0.252 174.705 174.900 0.096 0.000 1.321 240 G CA -0.300 44.869 45.100 0.115 0.000 0.813 240 G HN 1.293 nan 8.290 nan 0.000 0.599 241 T N 0.172 114.760 114.554 0.056 0.000 2.868 241 T HA 0.638 4.987 4.350 -0.002 0.000 0.292 241 T C -2.053 172.655 174.700 0.014 0.000 1.028 241 T CA -0.842 61.273 62.100 0.026 0.000 1.059 241 T CB 1.338 70.201 68.868 -0.010 0.000 0.991 241 T HN 0.549 nan 8.240 nan 0.000 0.531 242 P HA 0.354 nan 4.420 nan 0.000 0.271 242 P C 0.513 177.785 177.300 -0.047 0.000 1.218 242 P CA -0.212 62.862 63.100 -0.044 0.000 0.780 242 P CB 0.205 31.817 31.700 -0.146 0.000 0.901 243 G N 0.614 109.398 108.800 -0.028 0.000 2.557 243 G HA2 0.380 4.338 3.960 -0.002 0.000 0.292 243 G HA3 0.380 4.338 3.960 -0.002 0.000 0.292 243 G C 1.050 175.923 174.900 -0.045 0.000 1.237 243 G CA -0.070 45.014 45.100 -0.027 0.000 0.978 243 G HN 0.464 nan 8.290 nan 0.000 0.498 244 A N -0.966 121.832 122.820 -0.037 0.000 1.933 244 A HA -0.071 4.248 4.320 -0.002 0.000 0.218 244 A C 2.053 179.612 177.584 -0.041 0.000 1.175 244 A CA 2.160 54.172 52.037 -0.042 0.000 0.628 244 A CB -0.554 18.428 19.000 -0.030 0.000 0.814 244 A HN 0.775 nan 8.150 nan 0.000 0.444 245 E N -0.718 119.466 120.200 -0.027 0.000 2.077 245 E HA -0.188 4.161 4.350 -0.002 0.000 0.193 245 E C 1.887 178.472 176.600 -0.025 0.000 0.989 245 E CA 1.339 57.728 56.400 -0.018 0.000 0.800 245 E CB -0.172 29.526 29.700 -0.004 0.000 0.746 245 E HN 0.464 nan 8.360 nan 0.000 0.452 246 L N 0.803 122.007 121.223 -0.032 0.000 2.109 246 L HA -0.070 4.269 4.340 -0.002 0.000 0.207 246 L C 2.062 178.867 176.870 -0.108 0.000 1.086 246 L CA 1.302 56.115 54.840 -0.045 0.000 0.760 246 L CB -0.348 41.691 42.059 -0.034 0.000 0.910 246 L HN 0.221 nan 8.230 nan 0.000 0.437 247 L N -0.498 120.646 121.223 -0.131 0.000 2.042 247 L HA -0.286 4.053 4.340 -0.002 0.000 0.210 247 L C 2.587 179.380 176.870 -0.129 0.000 1.076 247 L CA 1.661 56.397 54.840 -0.173 0.000 0.749 247 L CB -0.538 41.435 42.059 -0.142 0.000 0.893 247 L HN 0.278 nan 8.230 nan 0.000 0.432 248 K N 0.037 120.389 120.400 -0.080 0.000 2.209 248 K HA -0.171 4.148 4.320 -0.002 0.000 0.204 248 K C 1.916 178.492 176.600 -0.041 0.000 1.048 248 K CA 1.199 57.454 56.287 -0.053 0.000 0.940 248 K CB 0.083 32.563 32.500 -0.034 0.000 0.729 248 K HN 0.279 nan 8.250 nan 0.000 0.451 249 K N 0.248 120.625 120.400 -0.039 0.000 2.418 249 K HA 0.074 4.393 4.320 -0.002 0.000 0.195 249 K C 0.184 176.783 176.600 -0.002 0.000 1.035 249 K CA 0.266 56.549 56.287 -0.007 0.000 1.003 249 K CB 0.269 32.779 32.500 0.018 0.000 0.793 249 K HN 0.106 nan 8.250 nan 0.000 0.494 250 I N 2.632 123.161 120.570 -0.069 0.000 2.372 250 I HA -0.062 4.106 4.170 -0.002 0.000 0.298 250 I C 1.202 177.299 176.117 -0.032 0.000 1.137 250 I CA -0.144 61.108 61.300 -0.081 0.000 1.314 250 I CB 0.807 38.611 38.000 -0.326 0.000 1.444 250 I HN 0.110 nan 8.210 nan 0.000 0.541 251 S N 2.149 117.868 115.700 0.031 0.000 2.489 251 S HA -0.074 4.395 4.470 -0.002 0.000 0.228 251 S C 1.168 175.791 174.600 0.037 0.000 0.995 251 S CA -0.192 58.026 58.200 0.031 0.000 0.934 251 S CB -0.024 63.205 63.200 0.049 0.000 0.771 251 S HN 0.597 nan 8.310 nan 0.000 0.522 252 S N 2.063 117.800 115.700 0.061 0.000 2.429 252 S HA 0.092 4.561 4.470 -0.002 0.000 0.292 252 S C 1.207 175.823 174.600 0.026 0.000 1.183 252 S CA -0.525 57.714 58.200 0.065 0.000 1.088 252 S CB 0.054 63.328 63.200 0.124 0.000 1.018 252 S HN 0.356 nan 8.310 nan 0.000 0.511 253 E N 3.299 123.510 120.200 0.018 0.000 2.118 253 E HA -0.121 4.228 4.350 -0.002 0.000 0.195 253 E C 2.022 178.630 176.600 0.013 0.000 0.992 253 E CA 1.119 57.520 56.400 0.003 0.000 0.804 253 E CB -0.476 29.226 29.700 0.005 0.000 0.741 253 E HN 0.718 nan 8.360 nan 0.000 0.458 254 S N 0.514 116.234 115.700 0.034 0.000 2.356 254 S HA -0.140 4.329 4.470 -0.002 0.000 0.223 254 S C 2.113 176.764 174.600 0.084 0.000 1.032 254 S CA 1.334 59.565 58.200 0.051 0.000 1.005 254 S CB -0.087 63.142 63.200 0.048 0.000 0.867 254 S HN 0.336 nan 8.310 nan 0.000 0.449 255 A N 1.554 124.433 122.820 0.098 0.000 1.933 255 A HA -0.048 4.271 4.320 -0.002 0.000 0.218 255 A C 2.217 179.807 177.584 0.009 0.000 1.175 255 A CA 1.515 53.642 52.037 0.149 0.000 0.628 255 A CB -0.691 18.465 19.000 0.260 0.000 0.814 255 A HN 0.592 nan 8.150 nan 0.000 0.444 256 R N -0.255 120.196 120.500 -0.081 0.000 2.073 256 R HA -0.207 4.132 4.340 -0.002 0.000 0.234 256 R C 2.183 178.426 176.300 -0.095 0.000 1.134 256 R CA 1.907 57.911 56.100 -0.160 0.000 0.952 256 R CB -0.419 29.802 30.300 -0.131 0.000 0.850 256 R HN 0.664 nan 8.270 nan 0.000 0.433 257 N N -0.482 118.203 118.700 -0.024 0.000 2.104 257 N HA -0.256 4.483 4.740 -0.002 0.000 0.190 257 N C 1.754 177.284 175.510 0.033 0.000 1.024 257 N CA 1.566 54.617 53.050 0.001 0.000 0.853 257 N CB -0.312 38.191 38.487 0.027 0.000 1.008 257 N HN 0.297 nan 8.380 nan 0.000 0.424 258 Y N 0.813 121.100 120.300 -0.023 0.000 2.163 258 Y HA -0.027 4.522 4.550 -0.002 0.000 0.288 258 Y C 2.131 178.025 175.900 -0.010 0.000 1.136 258 Y CA 1.382 59.481 58.100 -0.002 0.000 1.147 258 Y CB -0.671 37.807 38.460 0.030 0.000 0.987 258 Y HN 0.195 nan 8.280 nan 0.000 0.509 259 I N 0.264 120.662 120.570 -0.286 0.000 2.361 259 I HA -0.330 3.839 4.170 -0.002 0.000 0.251 259 I C 1.941 177.861 176.117 -0.330 0.000 1.133 259 I CA 1.538 62.596 61.300 -0.403 0.000 1.413 259 I CB -0.246 37.607 38.000 -0.245 0.000 1.073 259 I HN 0.424 nan 8.210 nan 0.000 0.424 260 Q N -0.229 119.431 119.800 -0.232 0.000 2.436 260 Q HA -0.137 4.202 4.340 -0.002 0.000 0.209 260 Q C 2.107 178.016 176.000 -0.153 0.000 0.965 260 Q CA 1.410 57.114 55.803 -0.165 0.000 0.910 260 Q CB 0.006 28.674 28.738 -0.116 0.000 0.980 260 Q HN 0.613 nan 8.270 nan 0.000 0.491 261 S N -0.413 115.167 115.700 -0.201 0.000 2.522 261 S HA 0.029 4.498 4.470 -0.002 0.000 0.227 261 S C 0.807 175.315 174.600 -0.153 0.000 0.986 261 S CA -0.053 58.061 58.200 -0.143 0.000 0.929 261 S CB -0.088 63.055 63.200 -0.095 0.000 0.769 261 S HN 0.161 nan 8.310 nan 0.000 0.529 262 L N 2.344 123.437 121.223 -0.217 0.000 2.395 262 L HA 0.304 4.643 4.340 -0.002 0.000 0.269 262 L C 0.238 177.055 176.870 -0.088 0.000 1.133 262 L CA -0.635 54.111 54.840 -0.157 0.000 0.812 262 L CB 0.621 42.565 42.059 -0.190 0.000 1.125 262 L HN 0.036 nan 8.230 nan 0.000 0.452 263 T N 2.444 116.967 114.554 -0.052 0.000 2.867 263 T HA 0.014 4.363 4.350 -0.002 0.000 0.297 263 T C 0.196 174.878 174.700 -0.028 0.000 0.989 263 T CA -0.208 61.873 62.100 -0.032 0.000 1.159 263 T CB 0.096 68.955 68.868 -0.015 0.000 0.928 263 T HN 0.461 nan 8.240 nan 0.000 0.538 264 Q N 2.902 122.687 119.800 -0.026 0.000 2.330 264 Q HA 0.272 4.611 4.340 -0.002 0.000 0.279 264 Q C -0.237 175.762 176.000 -0.002 0.000 1.024 264 Q CA 0.518 56.310 55.803 -0.017 0.000 0.900 264 Q CB 0.435 29.163 28.738 -0.018 0.000 1.221 264 Q HN 0.574 nan 8.270 nan 0.000 0.396 265 M N 3.829 123.435 119.600 0.009 0.000 2.457 265 M HA 0.439 4.918 4.480 -0.002 0.000 0.300 265 M C -2.373 173.949 176.300 0.037 0.000 1.141 265 M CA -2.121 53.193 55.300 0.024 0.000 0.901 265 M CB 2.461 35.080 32.600 0.031 0.000 1.687 265 M HN 0.414 nan 8.290 nan 0.000 0.449 266 P HA 0.172 nan 4.420 nan 0.000 0.276 266 P C -1.271 176.078 177.300 0.082 0.000 1.244 266 P CA -0.511 62.621 63.100 0.053 0.000 0.801 266 P CB 0.745 32.471 31.700 0.044 0.000 1.006 267 K N 2.295 122.755 120.400 0.100 0.000 2.489 267 K HA 0.053 4.372 4.320 -0.002 0.000 0.278 267 K C 0.275 176.971 176.600 0.160 0.000 1.000 267 K CA 0.163 56.542 56.287 0.154 0.000 1.012 267 K CB 0.034 32.618 32.500 0.139 0.000 0.903 267 K HN 0.421 nan 8.250 nan 0.000 0.485 268 M N 2.674 122.401 119.600 0.212 0.000 2.227 268 M HA 0.026 4.505 4.480 -0.002 0.000 0.316 268 M C 0.592 177.048 176.300 0.260 0.000 1.144 268 M CA -0.402 55.000 55.300 0.170 0.000 1.121 268 M CB 0.523 33.177 32.600 0.090 0.000 1.440 268 M HN 0.577 nan 8.290 nan 0.000 0.473 269 N N 0.993 119.798 118.700 0.174 0.000 2.405 269 N HA 0.037 4.776 4.740 -0.002 0.000 0.260 269 N C -0.022 175.653 175.510 0.274 0.000 1.152 269 N CA 0.236 53.405 53.050 0.199 0.000 0.948 269 N CB 0.295 38.844 38.487 0.104 0.000 1.111 269 N HN 0.438 nan 8.380 nan 0.000 0.485 270 F N 2.547 122.539 119.950 0.070 0.000 2.293 270 F HA -0.018 4.508 4.527 -0.002 0.000 0.300 270 F C 2.268 178.169 175.800 0.170 0.000 1.086 270 F CA 0.863 58.956 58.000 0.154 0.000 1.375 270 F CB -0.738 38.387 39.000 0.207 0.000 1.045 270 F HN 0.681 nan 8.300 nan 0.000 0.516 271 A N -0.146 122.836 122.820 0.270 0.000 2.019 271 A HA -0.181 4.138 4.320 -0.002 0.000 0.219 271 A C 2.038 179.674 177.584 0.087 0.000 1.164 271 A CA 1.795 53.927 52.037 0.159 0.000 0.644 271 A CB -0.561 18.502 19.000 0.106 0.000 0.805 271 A HN 0.315 nan 8.150 nan 0.000 0.449 272 N N -0.561 118.169 118.700 0.050 0.000 2.415 272 N HA 0.004 4.743 4.740 -0.002 0.000 0.176 272 N C 1.506 176.948 175.510 -0.113 0.000 1.042 272 N CA 1.070 54.109 53.050 -0.018 0.000 0.902 272 N CB 0.013 38.492 38.487 -0.014 0.000 0.986 272 N HN 0.261 nan 8.380 nan 0.000 0.447 273 V N -0.074 119.714 119.914 -0.209 0.000 2.407 273 V HA -0.016 4.103 4.120 -0.002 0.000 0.245 273 V C 0.285 175.977 176.094 -0.670 0.000 1.041 273 V CA 1.092 63.066 62.300 -0.543 0.000 1.040 273 V CB -0.320 30.981 31.823 -0.870 0.000 0.671 273 V HN 0.073 nan 8.190 nan 0.000 0.455 274 F N 0.251 120.138 119.950 -0.106 0.000 2.578 274 F HA 0.484 5.010 4.527 -0.002 0.000 0.314 274 F C 0.286 176.056 175.800 -0.050 0.000 1.225 274 F CA -0.866 57.080 58.000 -0.091 0.000 1.215 274 F CB -0.605 38.337 39.000 -0.096 0.000 1.448 274 F HN -0.056 nan 8.300 nan 0.000 0.548 275 I N 1.247 121.842 120.570 0.043 0.000 2.752 275 I HA 0.164 4.333 4.170 -0.002 0.000 0.289 275 I C 1.485 177.631 176.117 0.048 0.000 1.197 275 I CA 1.072 62.391 61.300 0.032 0.000 1.432 275 I CB 0.055 38.051 38.000 -0.006 0.000 1.359 275 I HN 0.727 nan 8.210 nan 0.000 0.571 276 G N 3.980 112.806 108.800 0.045 0.000 2.234 276 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.260 276 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.260 276 G C 0.478 175.406 174.900 0.046 0.000 0.987 276 G CA 0.013 45.137 45.100 0.040 0.000 0.625 276 G HN 1.045 nan 8.290 nan 0.000 0.532 277 A N 0.147 123.004 122.820 0.061 0.000 2.445 277 A HA 0.527 4.846 4.320 -0.002 0.000 0.242 277 A C 0.778 178.375 177.584 0.023 0.000 1.075 277 A CA 0.449 52.508 52.037 0.037 0.000 0.777 277 A CB 0.208 19.219 19.000 0.019 0.000 1.013 277 A HN 0.866 nan 8.150 nan 0.000 0.493 278 N N 2.075 120.788 118.700 0.022 0.000 2.301 278 N HA -0.018 4.721 4.740 -0.002 0.000 0.267 278 N C -1.736 173.769 175.510 -0.008 0.000 1.304 278 N CA -1.139 51.934 53.050 0.039 0.000 0.851 278 N CB 0.688 39.251 38.487 0.126 0.000 1.070 278 N HN 0.212 nan 8.380 nan 0.000 0.483 279 P HA -0.119 nan 4.420 nan 0.000 0.218 279 P C 1.421 178.716 177.300 -0.008 0.000 1.146 279 P CA 1.083 64.189 63.100 0.010 0.000 0.813 279 P CB 0.248 31.963 31.700 0.025 0.000 0.778 280 L N -1.439 119.795 121.223 0.019 0.000 2.156 280 L HA -0.100 4.239 4.340 -0.002 0.000 0.208 280 L C 2.448 179.190 176.870 -0.213 0.000 1.095 280 L CA 1.302 56.181 54.840 0.064 0.000 0.770 280 L CB -1.091 41.094 42.059 0.211 0.000 0.914 280 L HN -0.038 nan 8.230 nan 0.000 0.439 281 A N -0.116 122.398 122.820 -0.509 0.000 1.898 281 A HA -0.126 4.193 4.320 -0.002 0.000 0.216 281 A C 2.330 179.611 177.584 -0.505 0.000 1.181 281 A CA 1.567 53.046 52.037 -0.930 0.000 0.620 281 A CB -0.709 17.812 19.000 -0.798 0.000 0.819 281 A HN 0.179 nan 8.150 nan 0.000 0.442 282 V N 0.465 120.219 119.914 -0.267 0.000 2.343 282 V HA -0.270 3.849 4.120 -0.002 0.000 0.247 282 V C 2.314 178.348 176.094 -0.100 0.000 1.051 282 V CA 2.494 64.722 62.300 -0.121 0.000 1.036 282 V CB -0.856 30.986 31.823 0.032 0.000 0.654 282 V HN 0.738 nan 8.190 nan 0.000 0.451 283 D N -0.236 120.106 120.400 -0.096 0.000 2.097 283 D HA -0.199 4.440 4.640 -0.002 0.000 0.195 283 D C 1.978 178.189 176.300 -0.147 0.000 0.989 283 D CA 1.327 55.293 54.000 -0.057 0.000 0.827 283 D CB -0.114 40.735 40.800 0.081 0.000 0.966 283 D HN 0.271 nan 8.370 nan 0.000 0.456 284 L N 0.242 121.259 121.223 -0.343 0.000 2.017 284 L HA -0.050 4.289 4.340 -0.002 0.000 0.208 284 L C 2.123 178.826 176.870 -0.279 0.000 1.073 284 L CA 1.445 55.988 54.840 -0.495 0.000 0.745 284 L CB -0.659 40.931 42.059 -0.782 0.000 0.894 284 L HN 0.210 nan 8.230 nan 0.000 0.432 285 L N -0.502 120.562 121.223 -0.266 0.000 2.013 285 L HA -0.295 4.044 4.340 -0.002 0.000 0.212 285 L C 2.561 179.413 176.870 -0.029 0.000 1.073 285 L CA 1.871 56.626 54.840 -0.142 0.000 0.753 285 L CB -0.662 41.281 42.059 -0.193 0.000 0.890 285 L HN 0.385 nan 8.230 nan 0.000 0.432 286 E N -0.123 119.971 120.200 -0.176 0.000 2.160 286 E HA -0.243 4.105 4.350 -0.002 0.000 0.195 286 E C 2.108 178.584 176.600 -0.207 0.000 0.991 286 E CA 1.181 57.305 56.400 -0.460 0.000 0.810 286 E CB 0.016 29.392 29.700 -0.539 0.000 0.742 286 E HN 0.478 nan 8.360 nan 0.000 0.466 287 K N -0.289 120.040 120.400 -0.119 0.000 2.305 287 K HA 0.059 4.378 4.320 -0.002 0.000 0.199 287 K C 1.948 178.552 176.600 0.006 0.000 1.047 287 K CA 0.621 56.884 56.287 -0.041 0.000 0.976 287 K CB 0.162 32.651 32.500 -0.018 0.000 0.765 287 K HN 0.098 nan 8.250 nan 0.000 0.474 288 M N 0.231 119.821 119.600 -0.015 0.000 2.357 288 M HA 0.016 4.495 4.480 -0.002 0.000 0.266 288 M C 0.714 177.045 176.300 0.051 0.000 1.095 288 M CA 0.997 56.310 55.300 0.021 0.000 1.156 288 M CB 0.275 32.856 32.600 -0.032 0.000 1.365 288 M HN -0.015 nan 8.290 nan 0.000 0.447 289 L N 1.526 122.758 121.223 0.014 0.000 2.865 289 L HA 0.246 4.585 4.340 -0.002 0.000 0.233 289 L C -0.805 176.234 176.870 0.281 0.000 1.320 289 L CA -0.636 54.187 54.840 -0.029 0.000 1.225 289 L CB -0.207 41.829 42.059 -0.038 0.000 1.542 289 L HN -0.070 nan 8.230 nan 0.000 0.432 290 V N 0.770 120.900 119.914 0.360 0.000 2.427 290 V HA 0.095 4.214 4.120 -0.002 0.000 0.286 290 V C 1.037 177.387 176.094 0.428 0.000 1.034 290 V CA -0.517 61.974 62.300 0.318 0.000 0.893 290 V CB 2.360 34.296 31.823 0.188 0.000 0.982 290 V HN 0.361 nan 8.190 nan 0.000 0.452 291 L N 2.711 124.141 121.223 0.345 0.000 2.046 291 L HA -0.001 4.338 4.340 -0.002 0.000 0.208 291 L C 1.284 178.268 176.870 0.190 0.000 1.077 291 L CA 1.700 56.689 54.840 0.249 0.000 0.747 291 L CB -0.338 41.853 42.059 0.220 0.000 0.896 291 L HN 0.785 nan 8.230 nan 0.000 0.432 292 D N -1.213 119.289 120.400 0.171 0.000 2.346 292 D HA -0.006 4.632 4.640 -0.002 0.000 0.260 292 D C 1.439 177.825 176.300 0.144 0.000 1.252 292 D CA 0.736 54.820 54.000 0.141 0.000 0.895 292 D CB 1.215 42.076 40.800 0.102 0.000 1.097 292 D HN 0.362 nan 8.370 nan 0.000 0.489 293 S N 2.985 118.768 115.700 0.138 0.000 2.400 293 S HA -0.215 4.254 4.470 -0.002 0.000 0.232 293 S C 1.289 175.959 174.600 0.118 0.000 1.025 293 S CA 0.829 59.110 58.200 0.134 0.000 0.993 293 S CB -0.014 63.258 63.200 0.119 0.000 0.808 293 S HN 0.427 nan 8.310 nan 0.000 0.478 294 D N 1.875 122.336 120.400 0.102 0.000 2.228 294 D HA -0.041 4.598 4.640 -0.002 0.000 0.203 294 D C 1.695 178.043 176.300 0.080 0.000 0.988 294 D CA 1.191 55.240 54.000 0.082 0.000 0.864 294 D CB -0.142 40.699 40.800 0.068 0.000 0.928 294 D HN 0.597 nan 8.370 nan 0.000 0.469 295 K N -0.404 120.050 120.400 0.090 0.000 2.358 295 K HA 0.171 4.490 4.320 -0.002 0.000 0.200 295 K C 0.412 177.069 176.600 0.094 0.000 1.030 295 K CA -0.245 56.091 56.287 0.082 0.000 1.097 295 K CB 0.870 33.415 32.500 0.075 0.000 0.862 295 K HN -0.011 nan 8.250 nan 0.000 0.534 296 R N 1.250 121.821 120.500 0.118 0.000 2.643 296 R HA 0.117 4.456 4.340 -0.002 0.000 0.270 296 R C 0.318 176.681 176.300 0.105 0.000 1.061 296 R CA -0.210 55.967 56.100 0.128 0.000 1.107 296 R CB 0.476 30.879 30.300 0.171 0.000 0.999 296 R HN 0.088 nan 8.270 nan 0.000 0.460 297 I N 1.650 122.276 120.570 0.095 0.000 2.752 297 I HA -0.089 4.080 4.170 -0.002 0.000 0.287 297 I C 0.859 177.039 176.117 0.105 0.000 1.188 297 I CA 0.583 61.938 61.300 0.092 0.000 1.427 297 I CB 0.768 38.817 38.000 0.083 0.000 1.365 297 I HN 0.735 nan 8.210 nan 0.000 0.585 298 T N 3.651 118.267 114.554 0.103 0.000 2.881 298 T HA 0.487 4.836 4.350 -0.002 0.000 0.278 298 T C 1.046 175.811 174.700 0.110 0.000 0.982 298 T CA -0.176 61.994 62.100 0.118 0.000 0.989 298 T CB 1.569 70.502 68.868 0.107 0.000 1.058 298 T HN 0.700 nan 8.240 nan 0.000 0.529 299 A N 0.906 123.798 122.820 0.121 0.000 1.902 299 A HA 0.197 4.516 4.320 -0.002 0.000 0.217 299 A C 2.654 180.254 177.584 0.027 0.000 1.181 299 A CA 1.877 53.939 52.037 0.041 0.000 0.623 299 A CB -1.594 17.387 19.000 -0.031 0.000 0.818 299 A HN 1.261 nan 8.150 nan 0.000 0.443 300 A N -0.680 122.173 122.820 0.055 0.000 1.902 300 A HA -0.220 4.099 4.320 -0.002 0.000 0.217 300 A C 2.125 179.751 177.584 0.069 0.000 1.181 300 A CA 1.778 53.852 52.037 0.061 0.000 0.623 300 A CB -0.598 18.447 19.000 0.075 0.000 0.818 300 A HN 0.649 nan 8.150 nan 0.000 0.443 301 Q N -0.584 119.264 119.800 0.080 0.000 2.084 301 Q HA -0.055 4.284 4.340 -0.002 0.000 0.202 301 Q C 2.401 178.472 176.000 0.118 0.000 0.978 301 Q CA 1.467 57.325 55.803 0.091 0.000 0.844 301 Q CB -0.426 28.368 28.738 0.094 0.000 0.898 301 Q HN 0.673 nan 8.270 nan 0.000 0.426 302 A N 0.823 123.719 122.820 0.126 0.000 1.940 302 A HA -0.168 4.151 4.320 -0.002 0.000 0.219 302 A C 2.042 179.786 177.584 0.267 0.000 1.176 302 A CA 1.129 53.289 52.037 0.204 0.000 0.631 302 A CB -0.700 18.399 19.000 0.164 0.000 0.814 302 A HN 0.319 nan 8.150 nan 0.000 0.446 303 L N -1.099 120.169 121.223 0.076 0.000 2.191 303 L HA -0.173 4.165 4.340 -0.002 0.000 0.212 303 L C 2.709 179.464 176.870 -0.191 0.000 1.103 303 L CA 0.944 55.782 54.840 -0.003 0.000 0.769 303 L CB -0.279 41.781 42.059 0.003 0.000 0.908 303 L HN 0.445 nan 8.230 nan 0.000 0.438 304 A N -2.394 120.315 122.820 -0.184 0.000 2.275 304 A HA -0.040 4.279 4.320 -0.002 0.000 0.212 304 A C 0.982 178.560 177.584 -0.009 0.000 1.201 304 A CA -0.154 51.684 52.037 -0.333 0.000 0.843 304 A CB -0.532 18.412 19.000 -0.093 0.000 0.873 304 A HN 0.319 nan 8.150 nan 0.000 0.492 305 H N 0.067 119.194 119.070 0.095 0.000 2.871 305 H HA 0.258 4.813 4.556 -0.002 0.000 0.355 305 H C 1.445 176.838 175.328 0.109 0.000 1.092 305 H CA 0.490 56.610 56.048 0.119 0.000 1.420 305 H CB 1.099 30.958 29.762 0.161 0.000 1.400 305 H HN 0.158 nan 8.280 nan 0.000 0.604 306 A N 5.065 127.699 122.820 -0.309 0.000 2.024 306 A HA -0.259 4.059 4.320 -0.002 0.000 0.220 306 A C 2.004 179.638 177.584 0.083 0.000 1.164 306 A CA 1.344 53.323 52.037 -0.096 0.000 0.643 306 A CB -0.921 17.975 19.000 -0.173 0.000 0.806 306 A HN 0.856 nan 8.150 nan 0.000 0.451 307 Y N -0.341 120.023 120.300 0.107 0.000 2.256 307 Y HA -0.193 4.356 4.550 -0.002 0.000 0.288 307 Y C 0.903 176.641 175.900 -0.270 0.000 1.155 307 Y CA 1.370 59.365 58.100 -0.175 0.000 1.203 307 Y CB -0.342 37.851 38.460 -0.444 0.000 0.980 307 Y HN 0.318 nan 8.280 nan 0.000 0.530 308 F N -0.889 119.177 119.950 0.194 0.000 2.660 308 F HA 0.387 4.913 4.527 -0.002 0.000 0.297 308 F C 1.931 177.783 175.800 0.087 0.000 1.132 308 F CA 0.107 58.187 58.000 0.134 0.000 1.372 308 F CB -0.959 38.210 39.000 0.282 0.000 1.003 308 F HN 0.058 nan 8.300 nan 0.000 0.524 309 A N -0.101 122.804 122.820 0.141 0.000 1.948 309 A HA -0.224 4.094 4.320 -0.002 0.000 0.220 309 A C 2.269 179.841 177.584 -0.019 0.000 1.177 309 A CA 1.595 53.681 52.037 0.082 0.000 0.636 309 A CB -0.311 18.703 19.000 0.023 0.000 0.815 309 A HN 0.270 nan 8.150 nan 0.000 0.449 310 Q N -1.971 117.743 119.800 -0.145 0.000 2.297 310 Q HA -0.067 4.272 4.340 -0.002 0.000 0.204 310 Q C 1.190 176.811 176.000 -0.632 0.000 0.962 310 Q CA 1.269 56.826 55.803 -0.409 0.000 0.879 310 Q CB -0.228 28.157 28.738 -0.588 0.000 0.947 310 Q HN 0.909 nan 8.270 nan 0.000 0.462 311 Y N -1.845 118.352 120.300 -0.171 0.000 2.581 311 Y HA 0.095 4.644 4.550 -0.002 0.000 0.271 311 Y C 0.806 176.428 175.900 -0.464 0.000 1.100 311 Y CA -0.561 57.269 58.100 -0.449 0.000 1.281 311 Y CB -0.158 37.800 38.460 -0.836 0.000 1.237 311 Y HN 0.088 nan 8.280 nan 0.000 0.514 312 H N 1.990 120.970 119.070 -0.150 0.000 3.107 312 H HA 0.156 4.710 4.556 -0.002 0.000 0.301 312 H C -0.975 174.399 175.328 0.077 0.000 0.981 312 H CA 0.085 56.180 56.048 0.079 0.000 1.443 312 H CB 0.127 30.008 29.762 0.198 0.000 1.479 312 H HN 0.061 nan 8.280 nan 0.000 0.564 313 D N 6.851 127.148 120.400 -0.171 0.000 2.476 313 D HA 0.170 4.809 4.640 -0.002 0.000 0.251 313 D C -2.154 174.012 176.300 -0.223 0.000 1.291 313 D CA -2.138 51.718 54.000 -0.241 0.000 0.939 313 D CB 1.696 42.467 40.800 -0.049 0.000 1.221 313 D HN 0.346 nan 8.370 nan 0.000 0.567 314 P HA -0.009 nan 4.420 nan 0.000 0.230 314 P C 0.235 177.538 177.300 0.004 0.000 1.158 314 P CA 0.591 63.643 63.100 -0.081 0.000 0.769 314 P CB 0.580 32.255 31.700 -0.040 0.000 0.807 315 D N -0.542 119.848 120.400 -0.018 0.000 2.339 315 D HA -0.003 4.636 4.640 -0.002 0.000 0.217 315 D C 0.264 176.577 176.300 0.023 0.000 1.050 315 D CA 0.629 54.635 54.000 0.009 0.000 0.856 315 D CB 0.095 40.894 40.800 -0.002 0.000 0.922 315 D HN 0.171 nan 8.370 nan 0.000 0.518 316 D N 0.553 120.976 120.400 0.037 0.000 2.908 316 D HA 0.071 4.710 4.640 -0.002 0.000 0.361 316 D C -0.695 175.661 176.300 0.094 0.000 1.416 316 D CA -0.130 53.901 54.000 0.051 0.000 0.796 316 D CB 0.095 40.922 40.800 0.045 0.000 1.185 316 D HN -0.119 nan 8.370 nan 0.000 0.451 317 E N 1.523 121.788 120.200 0.109 0.000 3.374 317 E HA 0.236 4.585 4.350 -0.002 0.000 0.223 317 E C -2.344 174.349 176.600 0.155 0.000 1.210 317 E CA -1.570 54.916 56.400 0.144 0.000 0.987 317 E CB 1.335 31.135 29.700 0.166 0.000 1.322 317 E HN 0.229 nan 8.360 nan 0.000 0.404 318 P HA -0.005 nan 4.420 nan 0.000 0.270 318 P C 0.090 177.577 177.300 0.311 0.000 1.223 318 P CA -0.235 62.985 63.100 0.200 0.000 0.785 318 P CB 0.933 32.730 31.700 0.161 0.000 0.923 319 V N -1.693 118.361 119.914 0.233 0.000 3.193 319 V HA 0.872 4.991 4.120 -0.002 0.000 0.320 319 V C -0.089 176.063 176.094 0.097 0.000 1.112 319 V CA -1.231 61.158 62.300 0.148 0.000 1.026 319 V CB 0.934 32.791 31.823 0.055 0.000 1.128 319 V HN 0.708 nan 8.190 nan 0.000 0.452 320 A N 0.705 123.367 122.820 -0.263 0.000 2.293 320 A HA 0.606 4.925 4.320 -0.002 0.000 0.302 320 A C -0.192 177.356 177.584 -0.060 0.000 1.119 320 A CA -0.600 51.186 52.037 -0.418 0.000 0.823 320 A CB 0.114 18.588 19.000 -0.877 0.000 1.097 320 A HN 0.952 nan 8.150 nan 0.000 0.491 321 D N 1.614 122.026 120.400 0.021 0.000 2.400 321 D HA 0.275 4.913 4.640 -0.002 0.000 0.238 321 D C -2.287 174.170 176.300 0.262 0.000 1.157 321 D CA -0.591 53.483 54.000 0.122 0.000 0.889 321 D CB -0.044 40.826 40.800 0.116 0.000 1.199 321 D HN 0.197 nan 8.370 nan 0.000 0.436 322 P HA -0.097 nan 4.420 nan 0.000 0.261 322 P C -0.752 176.658 177.300 0.184 0.000 1.165 322 P CA 0.455 63.649 63.100 0.157 0.000 0.759 322 P CB -0.031 31.730 31.700 0.103 0.000 0.772 323 Y N 3.608 123.832 120.300 -0.126 0.000 2.356 323 Y HA 0.266 4.815 4.550 -0.002 0.000 0.334 323 Y C -0.138 175.685 175.900 -0.129 0.000 0.958 323 Y CA -1.281 56.585 58.100 -0.389 0.000 1.196 323 Y CB 0.577 38.680 38.460 -0.596 0.000 1.137 323 Y HN 0.247 nan 8.280 nan 0.000 0.485 324 D N 5.994 126.186 120.400 -0.347 0.000 2.352 324 D HA 0.030 4.669 4.640 -0.002 0.000 0.245 324 D C -0.123 175.908 176.300 -0.447 0.000 1.224 324 D CA 0.081 53.924 54.000 -0.262 0.000 0.879 324 D CB 0.728 41.480 40.800 -0.079 0.000 1.057 324 D HN 0.845 nan 8.370 nan 0.000 0.491 325 Q N 1.666 121.203 119.800 -0.437 0.000 2.206 325 Q HA 0.106 4.445 4.340 -0.002 0.000 0.265 325 Q C 0.866 176.658 176.000 -0.346 0.000 0.866 325 Q CA -0.412 55.125 55.803 -0.443 0.000 1.073 325 Q CB 0.160 28.590 28.738 -0.514 0.000 1.165 325 Q HN 0.302 nan 8.270 nan 0.000 0.465 326 S N 0.681 116.315 115.700 -0.111 0.000 2.442 326 S HA -0.217 4.252 4.470 -0.002 0.000 0.236 326 S C 1.661 176.267 174.600 0.009 0.000 1.007 326 S CA 0.885 59.053 58.200 -0.053 0.000 0.965 326 S CB -0.939 62.266 63.200 0.009 0.000 0.773 326 S HN 0.658 nan 8.310 nan 0.000 0.504 327 F N 2.353 122.378 119.950 0.125 0.000 2.250 327 F HA 0.028 4.554 4.527 -0.002 0.000 0.301 327 F C 2.049 178.035 175.800 0.311 0.000 1.077 327 F CA 1.198 59.369 58.000 0.285 0.000 1.348 327 F CB -0.777 38.533 39.000 0.517 0.000 1.040 327 F HN 0.068 nan 8.300 nan 0.000 0.509 328 E N 0.827 120.604 120.200 -0.705 0.000 2.160 328 E HA -0.147 4.202 4.350 -0.002 0.000 0.195 328 E C 2.135 178.672 176.600 -0.105 0.000 0.991 328 E CA 1.386 57.498 56.400 -0.480 0.000 0.810 328 E CB -0.447 28.911 29.700 -0.570 0.000 0.742 328 E HN 0.519 nan 8.360 nan 0.000 0.466 329 S N 0.064 115.734 115.700 -0.050 0.000 2.593 329 S HA 0.041 4.510 4.470 -0.002 0.000 0.217 329 S C 0.902 175.548 174.600 0.078 0.000 0.966 329 S CA -0.136 58.070 58.200 0.009 0.000 0.914 329 S CB 0.343 63.538 63.200 -0.008 0.000 0.776 329 S HN 0.093 nan 8.310 nan 0.000 0.523 330 R N 2.002 122.603 120.500 0.170 0.000 2.312 330 R HA 0.219 4.558 4.340 -0.002 0.000 0.311 330 R C -1.559 174.907 176.300 0.276 0.000 1.004 330 R CA -0.430 55.780 56.100 0.184 0.000 0.902 330 R CB 0.512 30.919 30.300 0.178 0.000 1.073 330 R HN 0.014 nan 8.270 nan 0.000 0.457 331 D N 5.043 125.534 120.400 0.151 0.000 2.317 331 D HA 0.311 4.950 4.640 -0.002 0.000 0.234 331 D C -0.366 175.955 176.300 0.035 0.000 1.112 331 D CA -0.044 54.059 54.000 0.171 0.000 0.840 331 D CB 1.229 42.091 40.800 0.103 0.000 1.078 331 D HN 0.328 nan 8.370 nan 0.000 0.486 332 L N 1.346 122.581 121.223 0.021 0.000 2.327 332 L HA 0.493 4.832 4.340 -0.002 0.000 0.258 332 L C 0.111 176.907 176.870 -0.124 0.000 1.024 332 L CA -1.095 53.538 54.840 -0.345 0.000 0.825 332 L CB 1.713 43.044 42.059 -1.213 0.000 1.386 332 L HN 0.053 nan 8.230 nan 0.000 0.417 333 L N 1.026 122.154 121.223 -0.158 0.000 2.466 333 L HA 0.238 4.577 4.340 -0.002 0.000 0.257 333 L C 1.366 178.268 176.870 0.052 0.000 1.189 333 L CA -0.234 54.595 54.840 -0.019 0.000 0.813 333 L CB 0.639 42.670 42.059 -0.046 0.000 1.118 333 L HN 0.580 nan 8.230 nan 0.000 0.471 334 I N 0.377 121.030 120.570 0.138 0.000 2.151 334 I HA -0.300 3.869 4.170 -0.002 0.000 0.243 334 I C 1.707 177.875 176.117 0.085 0.000 1.080 334 I CA 1.434 62.852 61.300 0.198 0.000 1.339 334 I CB -0.184 37.897 38.000 0.136 0.000 1.039 334 I HN 0.744 nan 8.210 nan 0.000 0.409 335 D N 0.438 120.830 120.400 -0.013 0.000 2.219 335 D HA -0.139 4.499 4.640 -0.002 0.000 0.205 335 D C 2.105 178.338 176.300 -0.112 0.000 0.970 335 D CA 0.968 54.919 54.000 -0.080 0.000 0.851 335 D CB -0.053 40.701 40.800 -0.077 0.000 0.943 335 D HN 0.458 nan 8.370 nan 0.000 0.488 336 E N -0.600 119.509 120.200 -0.151 0.000 2.072 336 E HA -0.123 4.225 4.350 -0.002 0.000 0.190 336 E C 2.093 178.517 176.600 -0.294 0.000 0.982 336 E CA 0.536 56.778 56.400 -0.262 0.000 0.803 336 E CB -0.183 29.294 29.700 -0.373 0.000 0.755 336 E HN 0.397 nan 8.360 nan 0.000 0.453 337 W N 1.895 123.136 121.300 -0.097 0.000 2.342 337 W HA -0.162 4.497 4.660 -0.002 0.000 0.297 337 W C 2.481 178.966 176.519 -0.057 0.000 1.213 337 W CA 0.847 58.133 57.345 -0.099 0.000 1.251 337 W CB 0.001 29.482 29.460 0.035 0.000 1.136 337 W HN 0.015 nan 8.180 nan 0.000 0.526 338 K N 0.169 120.598 120.400 0.049 0.000 2.057 338 K HA -0.195 4.124 4.320 -0.002 0.000 0.206 338 K C 2.309 178.885 176.600 -0.041 0.000 1.050 338 K CA 1.711 57.798 56.287 -0.333 0.000 0.935 338 K CB -0.476 31.560 32.500 -0.772 0.000 0.715 338 K HN -0.015 nan 8.250 nan 0.000 0.439 339 S N 0.634 116.309 115.700 -0.040 0.000 2.368 339 S HA -0.063 4.406 4.470 -0.002 0.000 0.224 339 S C 1.921 176.568 174.600 0.079 0.000 1.029 339 S CA 0.958 59.170 58.200 0.019 0.000 0.988 339 S CB -0.243 62.931 63.200 -0.043 0.000 0.838 339 S HN 0.358 nan 8.310 nan 0.000 0.462 340 L N 0.741 121.970 121.223 0.010 0.000 2.046 340 L HA -0.110 4.228 4.340 -0.002 0.000 0.208 340 L C 2.755 179.799 176.870 0.290 0.000 1.077 340 L CA 1.650 56.502 54.840 0.019 0.000 0.747 340 L CB -1.136 40.687 42.059 -0.393 0.000 0.896 340 L HN 0.343 nan 8.230 nan 0.000 0.432 341 T N -1.488 113.316 114.554 0.415 0.000 2.777 341 T HA -0.237 4.111 4.350 -0.002 0.000 0.266 341 T C 1.715 176.628 174.700 0.355 0.000 1.040 341 T CA 1.279 63.711 62.100 0.554 0.000 1.141 341 T CB -0.369 68.944 68.868 0.742 0.000 0.868 341 T HN 0.256 nan 8.240 nan 0.000 0.444 342 Y N 2.416 122.764 120.300 0.079 0.000 2.181 342 Y HA -0.170 4.379 4.550 -0.001 0.000 0.288 342 Y C 2.045 177.854 175.900 -0.152 0.000 1.146 342 Y CA 1.273 59.169 58.100 -0.340 0.000 1.164 342 Y CB -0.523 37.663 38.460 -0.457 0.000 0.982 342 Y HN 0.141 nan 8.280 nan 0.000 0.515 343 D N 0.007 120.391 120.400 -0.027 0.000 2.133 343 D HA -0.183 4.456 4.640 -0.002 0.000 0.195 343 D C 2.021 178.298 176.300 -0.039 0.000 0.997 343 D CA 1.635 55.601 54.000 -0.056 0.000 0.840 343 D CB -0.174 40.651 40.800 0.042 0.000 0.947 343 D HN 0.463 nan 8.370 nan 0.000 0.452 344 E N 0.352 120.585 120.200 0.055 0.000 2.106 344 E HA -0.076 4.273 4.350 -0.002 0.000 0.192 344 E C 2.485 179.114 176.600 0.048 0.000 0.984 344 E CA 0.227 56.675 56.400 0.081 0.000 0.806 344 E CB -0.227 29.544 29.700 0.119 0.000 0.750 344 E HN 0.176 nan 8.360 nan 0.000 0.458 345 V N 2.053 121.951 119.914 -0.028 0.000 2.255 345 V HA -0.249 3.870 4.120 -0.002 0.000 0.247 345 V C 2.405 178.452 176.094 -0.079 0.000 1.051 345 V CA 1.336 63.600 62.300 -0.060 0.000 1.018 345 V CB -0.407 31.331 31.823 -0.141 0.000 0.641 345 V HN 0.209 nan 8.190 nan 0.000 0.445 346 I N 1.262 121.668 120.570 -0.274 0.000 2.286 346 I HA -0.153 4.015 4.170 -0.002 0.000 0.248 346 I C 2.478 178.557 176.117 -0.064 0.000 1.115 346 I CA 2.241 63.396 61.300 -0.241 0.000 1.392 346 I CB -1.269 36.467 38.000 -0.440 0.000 1.065 346 I HN 0.562 nan 8.210 nan 0.000 0.418 347 S N -0.243 115.445 115.700 -0.020 0.000 2.593 347 S HA -0.010 4.459 4.470 -0.002 0.000 0.217 347 S C 0.770 175.413 174.600 0.072 0.000 0.966 347 S CA -0.472 57.741 58.200 0.020 0.000 0.914 347 S CB -0.832 62.381 63.200 0.022 0.000 0.776 347 S HN 0.203 nan 8.310 nan 0.000 0.523 348 F N 3.126 123.069 119.950 -0.011 0.000 2.608 348 F HA 0.363 4.888 4.527 -0.002 0.000 0.380 348 F C -0.346 175.465 175.800 0.019 0.000 1.083 348 F CA -0.248 57.761 58.000 0.015 0.000 1.266 348 F CB 0.539 39.558 39.000 0.031 0.000 1.076 348 F HN -0.053 nan 8.300 nan 0.000 0.574 349 V N 8.049 127.455 119.914 -0.845 0.000 2.487 349 V HA 0.369 4.488 4.120 -0.002 0.000 0.298 349 V C -2.042 173.389 176.094 -1.104 0.000 1.028 349 V CA -1.737 60.156 62.300 -0.678 0.000 0.860 349 V CB 1.490 33.115 31.823 -0.329 0.000 0.991 349 V HN 0.677 nan 8.190 nan 0.000 0.427 350 P HA 0.331 nan 4.420 nan 0.000 0.274 350 P C -2.559 174.626 177.300 -0.192 0.000 1.246 350 P CA -1.349 61.535 63.100 -0.359 0.000 0.795 350 P CB -0.272 31.440 31.700 0.020 0.000 1.006 351 P HA 0.227 nan 4.420 nan 0.000 0.272 351 P C -2.295 174.997 177.300 -0.013 0.000 1.223 351 P CA -0.872 62.219 63.100 -0.014 0.000 0.784 351 P CB -0.976 30.753 31.700 0.049 0.000 0.923 352 P HA 0.000 nan 4.420 nan 0.000 0.216 352 P CA 0.000 63.094 63.100 -0.011 0.000 0.800 352 P CB 0.000 31.693 31.700 -0.011 0.000 0.726