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 3i26_1_C DATA FIRST_RESID 16 DATA SEQUENCE TPVTPYYGPG HITFDWCGFG DSRSDcTNPQ SPMSLDIPQQ LcPKFSSKSS DATA SEQUENCE SSMFLSLHWN NHSSFVSYDY FNcGVEKVFY EGVNFSPRKQ YScWDEGVDG DATA SEQUENCE WIELKTRFYT KLYQMATTSR cIKLIQLQAP SSLPTLQAGV cRTNKQLPDN DATA SEQUENCE PRLALLSDTV PTSVQFVLPG SSGTTIcTKH LVPFcYLNHG cFTTGGScLP DATA SEQUENCE FGVSYVSDSF YYGYYDATPX XXXXESHDYV cDYLFMEPGT YNASTVGKFL DATA SEQUENCE VYPTKSYcMD TMNITVPVQA VQSIWSEQYA SDDAIGQAcK APYcIFYNKT DATA SEQUENCE TPYTVTNGSD ANHGDDEVRM MMQGLLRNSS cISPQGSTPL ALYSTEMIYE DATA SEQUENCE PNYGScPQFY KLF 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 16 T HA 0.000 nan 4.350 nan 0.000 0.228 16 T C 0.000 174.745 174.700 0.075 0.000 1.109 16 T CA 0.000 62.131 62.100 0.051 0.000 1.349 16 T CB 0.000 68.879 68.868 0.019 0.000 0.612 17 P HA 0.401 nan 4.420 nan 0.000 0.268 17 P C -0.201 177.126 177.300 0.045 0.000 1.205 17 P CA -0.508 62.645 63.100 0.088 0.000 0.771 17 P CB 0.573 32.254 31.700 -0.032 0.000 0.858 18 V N -0.339 119.619 119.914 0.074 0.000 2.850 18 V HA 0.680 4.800 4.120 -0.000 0.000 0.315 18 V C -0.209 175.923 176.094 0.063 0.000 1.064 18 V CA -0.426 61.903 62.300 0.048 0.000 0.979 18 V CB 1.754 33.596 31.823 0.032 0.000 1.039 18 V HN 0.469 nan 8.190 nan 0.000 0.452 19 T N 4.344 118.929 114.554 0.052 0.000 2.771 19 T HA 0.554 4.904 4.350 -0.000 0.000 0.281 19 T C -2.597 172.144 174.700 0.069 0.000 0.982 19 T CA -0.820 61.316 62.100 0.060 0.000 0.978 19 T CB 1.262 70.160 68.868 0.050 0.000 0.930 19 T HN 0.770 nan 8.240 nan 0.000 0.447 20 P HA 0.081 nan 4.420 nan 0.000 0.265 20 P C -1.080 176.286 177.300 0.109 0.000 1.193 20 P CA -0.343 62.805 63.100 0.079 0.000 0.765 20 P CB 0.245 31.987 31.700 0.071 0.000 0.823 21 Y N 3.223 123.515 120.300 -0.013 0.000 2.404 21 Y HA 0.205 4.755 4.550 -0.000 0.000 0.344 21 Y C -0.091 175.797 175.900 -0.020 0.000 0.995 21 Y CA -0.657 57.429 58.100 -0.024 0.000 1.201 21 Y CB 0.085 38.500 38.460 -0.075 0.000 1.151 21 Y HN 0.344 nan 8.280 nan 0.000 0.517 22 Y N 6.351 126.305 120.300 -0.576 0.000 2.496 22 Y HA 0.440 4.990 4.550 -0.000 0.000 0.334 22 Y C 0.435 176.015 175.900 -0.534 0.000 1.080 22 Y CA 0.862 58.708 58.100 -0.424 0.000 1.355 22 Y CB -0.125 38.142 38.460 -0.321 0.000 1.193 22 Y HN 0.864 nan 8.280 nan 0.000 0.523 23 G N 5.988 114.105 108.800 -1.138 0.000 2.359 23 G HA2 0.040 4.000 3.960 -0.000 0.000 0.314 23 G HA3 0.040 4.000 3.960 -0.000 0.000 0.314 23 G C -3.387 170.719 174.900 -1.323 0.000 1.364 23 G CA -1.177 43.183 45.100 -1.233 0.000 0.978 23 G HN 0.453 nan 8.290 nan 0.000 0.615 24 P HA 0.583 nan 4.420 nan 0.000 0.275 24 P C 0.473 177.563 177.300 -0.351 0.000 1.266 24 P CA 0.604 63.322 63.100 -0.635 0.000 0.793 24 P CB 1.534 33.075 31.700 -0.265 0.000 1.074 25 G N -0.850 107.806 108.800 -0.240 0.000 2.600 25 G HA2 0.622 4.581 3.960 -0.000 0.000 0.293 25 G HA3 0.622 4.581 3.960 -0.000 0.000 0.293 25 G C -2.013 172.706 174.900 -0.301 0.000 1.408 25 G CA -0.713 44.204 45.100 -0.305 0.000 0.782 25 G HN 0.899 nan 8.290 nan 0.000 0.482 26 H N -2.163 116.658 119.070 -0.415 0.000 2.961 26 H HA 0.683 5.239 4.556 -0.000 0.000 0.371 26 H C 0.009 175.239 175.328 -0.164 0.000 1.190 26 H CA -1.065 54.773 56.048 -0.351 0.000 1.138 26 H CB 1.749 31.046 29.762 -0.776 0.000 1.816 26 H HN 0.304 nan 8.280 nan 0.000 0.551 27 I N 0.449 121.048 120.570 0.048 0.000 2.927 27 I HA 0.036 4.206 4.170 -0.000 0.000 0.268 27 I C 0.653 176.861 176.117 0.151 0.000 1.153 27 I CA 1.025 62.355 61.300 0.050 0.000 1.459 27 I CB 0.417 38.484 38.000 0.111 0.000 1.149 27 I HN 0.857 nan 8.210 nan 0.000 0.443 28 T N -2.608 112.091 114.554 0.242 0.000 2.858 28 T HA 0.255 4.605 4.350 -0.000 0.000 0.285 28 T C 0.685 175.589 174.700 0.339 0.000 1.052 28 T CA -0.678 61.588 62.100 0.278 0.000 1.009 28 T CB 1.251 70.228 68.868 0.181 0.000 1.241 28 T HN 0.162 nan 8.240 nan 0.000 0.542 29 F N 0.092 120.175 119.950 0.222 0.000 2.269 29 F HA 0.172 4.699 4.527 -0.000 0.000 0.301 29 F C 0.832 176.720 175.800 0.148 0.000 1.082 29 F CA 0.593 58.699 58.000 0.176 0.000 1.360 29 F CB -0.721 38.331 39.000 0.086 0.000 1.041 29 F HN 0.461 nan 8.300 nan 0.000 0.512 30 D N 2.815 122.594 120.400 -1.036 0.000 2.551 30 D HA 0.057 4.697 4.640 -0.000 0.000 0.223 30 D C -0.577 175.585 176.300 -0.230 0.000 1.144 30 D CA -0.134 53.337 54.000 -0.882 0.000 1.025 30 D CB -0.499 39.744 40.800 -0.929 0.000 1.085 30 D HN 0.515 nan 8.370 nan 0.000 0.506 31 W N 2.318 123.404 121.300 -0.358 0.000 3.047 31 W HA 0.609 5.269 4.660 -0.000 0.000 0.341 31 W C -1.294 175.036 176.519 -0.314 0.000 1.225 31 W CA -1.295 55.890 57.345 -0.266 0.000 1.150 31 W CB 0.168 29.510 29.460 -0.198 0.000 1.470 31 W HN 0.238 nan 8.180 nan 0.000 0.578 32 C N 0.005 119.108 119.300 -0.330 0.000 3.288 32 C HA 0.966 5.426 4.460 -0.000 0.000 0.318 32 C C -0.028 174.536 174.990 -0.709 0.000 1.356 32 C CA -0.075 58.474 59.018 -0.783 0.000 1.359 32 C CB 1.477 28.781 27.740 -0.726 0.000 1.688 32 C HN 1.186 nan 8.230 nan 0.000 0.467 33 G N 0.117 108.189 108.800 -1.213 0.000 2.453 33 G HA2 0.807 4.767 3.960 -0.000 0.000 0.323 33 G HA3 0.807 4.767 3.960 -0.000 0.000 0.323 33 G C -1.750 172.465 174.900 -1.142 0.000 1.198 33 G CA -0.525 43.682 45.100 -1.488 0.000 0.959 33 G HN 0.649 nan 8.290 nan 0.000 0.482 34 F N 0.274 120.045 119.950 -0.299 0.000 2.518 34 F HA 0.739 5.266 4.527 -0.000 0.000 0.323 34 F C 0.716 176.800 175.800 0.472 0.000 1.129 34 F CA -0.163 57.920 58.000 0.139 0.000 0.920 34 F CB 2.655 41.632 39.000 -0.038 0.000 1.160 34 F HN 0.819 nan 8.300 nan 0.000 0.440 35 G N 1.588 110.854 108.800 0.776 0.000 2.846 35 G HA2 0.583 4.543 3.960 -0.000 0.000 0.299 35 G HA3 0.583 4.543 3.960 -0.000 0.000 0.299 35 G C -1.725 173.453 174.900 0.462 0.000 1.242 35 G CA -0.516 44.940 45.100 0.595 0.000 0.800 35 G HN 0.488 nan 8.290 nan 0.000 0.538 36 D N -2.293 118.257 120.400 0.249 0.000 3.374 36 D HA 0.332 4.972 4.640 -0.000 0.000 0.259 36 D C 1.911 178.266 176.300 0.093 0.000 1.376 36 D CA 0.865 54.959 54.000 0.158 0.000 1.030 36 D CB -0.235 40.631 40.800 0.111 0.000 1.281 36 D HN 0.586 nan 8.370 nan 0.000 0.637 37 S N -0.532 115.230 115.700 0.104 0.000 2.383 37 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 37 S C 1.645 176.351 174.600 0.176 0.000 1.030 37 S CA 0.892 59.176 58.200 0.140 0.000 1.002 37 S CB -0.635 62.730 63.200 0.275 0.000 0.829 37 S HN 0.409 nan 8.310 nan 0.000 0.467 38 R N 1.716 122.333 120.500 0.195 0.000 2.339 38 R HA 0.118 4.458 4.340 -0.000 0.000 0.199 38 R C 1.073 177.450 176.300 0.130 0.000 1.018 38 R CA 0.951 57.192 56.100 0.235 0.000 1.036 38 R CB -0.173 30.319 30.300 0.319 0.000 0.899 38 R HN 0.688 nan 8.270 nan 0.000 0.473 39 S N -1.432 114.289 115.700 0.035 0.000 3.021 39 S HA 0.103 4.573 4.470 -0.000 0.000 0.252 39 S C -0.650 173.898 174.600 -0.087 0.000 0.996 39 S CA -0.813 57.288 58.200 -0.164 0.000 1.084 39 S CB 0.495 63.379 63.200 -0.527 0.000 1.021 39 S HN -0.022 nan 8.310 nan 0.000 0.566 40 D N 0.770 121.158 120.400 -0.019 0.000 2.392 40 D HA 0.415 5.055 4.640 -0.000 0.000 0.228 40 D C 0.485 176.773 176.300 -0.021 0.000 1.074 40 D CA -0.558 53.427 54.000 -0.025 0.000 0.838 40 D CB 1.184 41.962 40.800 -0.037 0.000 1.067 40 D HN 0.149 nan 8.370 nan 0.000 0.511 41 c N 1.978 120.566 118.600 -0.020 0.000 2.514 41 c HA -0.034 4.536 4.570 -0.000 0.000 0.271 41 c C 2.338 176.420 174.090 -0.014 0.000 1.399 41 c CA 1.141 57.462 56.329 -0.013 0.000 1.765 41 c CB -0.971 41.535 42.510 -0.007 0.000 1.893 41 c HN 0.803 nan 8.230 nan 0.000 0.531 42 T N -1.365 113.178 114.554 -0.020 0.000 3.113 42 T HA -0.052 4.298 4.350 -0.000 0.000 0.256 42 T C 0.624 175.309 174.700 -0.026 0.000 1.131 42 T CA 0.193 62.281 62.100 -0.019 0.000 1.074 42 T CB -0.575 68.282 68.868 -0.018 0.000 0.944 42 T HN 0.441 nan 8.240 nan 0.000 0.516 43 N N 3.126 121.807 118.700 -0.032 0.000 2.411 43 N HA 0.059 4.799 4.740 -0.000 0.000 0.261 43 N C -1.676 173.812 175.510 -0.037 0.000 1.248 43 N CA -1.589 51.436 53.050 -0.041 0.000 0.885 43 N CB 1.375 39.833 38.487 -0.048 0.000 1.062 43 N HN 0.044 nan 8.380 nan 0.000 0.471 44 P HA -0.167 nan 4.420 nan 0.000 0.216 44 P C 0.639 177.919 177.300 -0.034 0.000 1.154 44 P CA 1.441 64.522 63.100 -0.032 0.000 0.865 44 P CB 0.279 31.959 31.700 -0.034 0.000 0.789 45 Q N -0.911 118.859 119.800 -0.050 0.000 2.444 45 Q HA 0.088 4.428 4.340 -0.000 0.000 0.206 45 Q C 0.745 176.726 176.000 -0.030 0.000 0.948 45 Q CA 0.259 56.034 55.803 -0.046 0.000 0.946 45 Q CB -0.507 28.186 28.738 -0.075 0.000 1.027 45 Q HN 0.169 nan 8.270 nan 0.000 0.513 46 S N 2.702 118.387 115.700 -0.025 0.000 2.562 46 S HA 0.156 4.626 4.470 -0.000 0.000 0.281 46 S C -1.515 173.083 174.600 -0.004 0.000 1.333 46 S CA -0.993 57.201 58.200 -0.010 0.000 1.052 46 S CB 0.712 63.905 63.200 -0.011 0.000 0.884 46 S HN 0.088 nan 8.310 nan 0.000 0.506 47 P HA 0.172 nan 4.420 nan 0.000 0.262 47 P C 1.089 178.402 177.300 0.021 0.000 1.304 47 P CA -0.029 63.076 63.100 0.009 0.000 0.859 47 P CB 0.162 31.866 31.700 0.007 0.000 1.310 48 M N 0.574 120.186 119.600 0.020 0.000 2.279 48 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 48 M C 1.516 177.855 176.300 0.065 0.000 1.062 48 M CA 1.655 56.977 55.300 0.035 0.000 1.099 48 M CB -1.122 31.494 32.600 0.026 0.000 1.394 48 M HN 0.076 nan 8.290 nan 0.000 0.426 49 S N -0.706 115.027 115.700 0.056 0.000 2.597 49 S HA 0.319 4.789 4.470 -0.000 0.000 0.224 49 S C 0.520 175.229 174.600 0.182 0.000 0.955 49 S CA -0.409 57.856 58.200 0.107 0.000 0.933 49 S CB -0.392 62.773 63.200 -0.058 0.000 0.788 49 S HN 0.292 nan 8.310 nan 0.000 0.488 50 L N 1.333 122.624 121.223 0.115 0.000 2.357 50 L HA 0.475 4.814 4.340 -0.000 0.000 0.273 50 L C 0.361 177.288 176.870 0.094 0.000 1.080 50 L CA -0.597 54.297 54.840 0.091 0.000 0.803 50 L CB 1.029 43.103 42.059 0.024 0.000 1.174 50 L HN 0.047 nan 8.230 nan 0.000 0.443 51 D N 1.128 121.580 120.400 0.087 0.000 2.417 51 D HA 0.194 4.834 4.640 -0.000 0.000 0.207 51 D C 0.268 176.517 176.300 -0.085 0.000 1.075 51 D CA 0.267 54.278 54.000 0.019 0.000 0.851 51 D CB 0.502 41.354 40.800 0.087 0.000 0.976 51 D HN 0.407 nan 8.370 nan 0.000 0.505 52 I N -2.384 118.128 120.570 -0.096 0.000 2.822 52 I HA 0.570 4.740 4.170 -0.000 0.000 0.312 52 I C -2.533 173.549 176.117 -0.058 0.000 1.011 52 I CA -2.618 58.610 61.300 -0.120 0.000 1.105 52 I CB 1.245 39.093 38.000 -0.252 0.000 1.291 52 I HN -0.397 nan 8.210 nan 0.000 0.474 53 P HA 0.001 nan 4.420 nan 0.000 0.266 53 P C 0.042 177.343 177.300 0.003 0.000 1.195 53 P CA -0.017 63.085 63.100 0.003 0.000 0.768 53 P CB 0.644 32.362 31.700 0.031 0.000 0.838 54 Q N 3.084 122.886 119.800 0.004 0.000 2.170 54 Q HA -0.254 4.086 4.340 -0.000 0.000 0.203 54 Q C 1.605 177.616 176.000 0.018 0.000 0.976 54 Q CA 1.329 57.135 55.803 0.004 0.000 0.858 54 Q CB -0.087 28.654 28.738 0.005 0.000 0.907 54 Q HN 0.459 nan 8.270 nan 0.000 0.433 55 Q N -0.002 119.818 119.800 0.033 0.000 2.369 55 Q HA -0.115 4.225 4.340 -0.000 0.000 0.206 55 Q C 1.498 177.540 176.000 0.070 0.000 0.963 55 Q CA 0.919 56.749 55.803 0.045 0.000 0.894 55 Q CB -0.109 28.658 28.738 0.049 0.000 0.965 55 Q HN 0.497 nan 8.270 nan 0.000 0.475 56 L N 0.018 121.300 121.223 0.098 0.000 2.592 56 L HA 0.090 4.430 4.340 -0.000 0.000 0.227 56 L C 2.060 179.029 176.870 0.164 0.000 1.127 56 L CA -0.443 54.502 54.840 0.175 0.000 0.884 56 L CB -0.115 42.129 42.059 0.308 0.000 1.065 56 L HN 0.215 nan 8.230 nan 0.000 0.457 57 c N 1.259 119.900 118.600 0.069 0.000 2.403 57 c HA -0.105 4.465 4.570 -0.000 0.000 0.277 57 c C 0.285 174.420 174.090 0.075 0.000 1.248 57 c CA 0.908 57.268 56.329 0.051 0.000 1.762 57 c CB -1.169 41.348 42.510 0.011 0.000 2.014 57 c HN 0.402 nan 8.230 nan 0.000 0.486 58 P HA -0.091 nan 4.420 nan 0.000 0.220 58 P C 1.402 178.641 177.300 -0.100 0.000 1.148 58 P CA 1.283 64.370 63.100 -0.020 0.000 0.803 58 P CB -0.185 31.498 31.700 -0.029 0.000 0.782 59 K N -1.548 118.769 120.400 -0.139 0.000 2.366 59 K HA 0.070 4.390 4.320 -0.000 0.000 0.198 59 K C 0.467 176.785 176.600 -0.470 0.000 1.044 59 K CA 0.443 56.453 56.287 -0.462 0.000 0.973 59 K CB -0.279 31.713 32.500 -0.847 0.000 0.767 59 K HN 0.241 nan 8.250 nan 0.000 0.475 60 F N 0.273 120.058 119.950 -0.275 0.000 2.425 60 F HA 0.161 4.687 4.527 -0.000 0.000 0.331 60 F C 0.730 176.449 175.800 -0.135 0.000 1.085 60 F CA -0.756 57.126 58.000 -0.196 0.000 1.028 60 F CB 1.631 40.603 39.000 -0.046 0.000 1.177 60 F HN -0.331 nan 8.300 nan 0.000 0.487 61 S N 2.522 118.241 115.700 0.033 0.000 2.532 61 S HA 0.705 5.175 4.470 -0.000 0.000 0.318 61 S C -0.847 173.985 174.600 0.387 0.000 1.083 61 S CA -0.168 58.153 58.200 0.203 0.000 1.131 61 S CB -0.016 63.285 63.200 0.168 0.000 0.973 61 S HN 0.582 nan 8.310 nan 0.000 0.468 62 S N 3.002 118.798 115.700 0.159 0.000 2.618 62 S HA 0.809 5.279 4.470 -0.000 0.000 0.277 62 S C -1.403 172.880 174.600 -0.529 0.000 1.138 62 S CA -0.939 57.265 58.200 0.006 0.000 0.844 62 S CB 1.922 65.214 63.200 0.152 0.000 1.127 62 S HN 0.729 nan 8.310 nan 0.000 0.474 63 K N 0.793 120.934 120.400 -0.431 0.000 2.575 63 K HA 0.433 4.753 4.320 -0.000 0.000 0.255 63 K C -1.246 175.268 176.600 -0.142 0.000 0.953 63 K CA -0.138 55.847 56.287 -0.503 0.000 0.840 63 K CB 1.341 33.252 32.500 -0.982 0.000 1.303 63 K HN 0.519 nan 8.250 nan 0.000 0.438 64 S N 2.296 117.947 115.700 -0.083 0.000 2.549 64 S HA 0.155 4.624 4.470 -0.000 0.000 0.286 64 S C 0.047 174.671 174.600 0.040 0.000 1.314 64 S CA 0.739 58.945 58.200 0.009 0.000 1.062 64 S CB 0.342 63.540 63.200 -0.003 0.000 0.865 64 S HN 0.796 nan 8.310 nan 0.000 0.498 65 S N 0.436 116.188 115.700 0.087 0.000 3.261 65 S HA -0.160 4.310 4.470 -0.000 0.000 0.287 65 S C 0.286 174.961 174.600 0.124 0.000 1.281 65 S CA 1.166 59.423 58.200 0.096 0.000 1.053 65 S CB -1.271 61.961 63.200 0.054 0.000 1.251 65 S HN 0.723 nan 8.310 nan 0.000 0.659 66 S N 0.234 116.033 115.700 0.166 0.000 2.747 66 S HA 0.877 5.347 4.470 -0.000 0.000 0.300 66 S C -0.253 174.570 174.600 0.371 0.000 1.121 66 S CA 0.313 58.681 58.200 0.279 0.000 0.995 66 S CB 1.866 65.248 63.200 0.302 0.000 1.113 66 S HN 1.043 nan 8.310 nan 0.000 0.547 67 S N 1.010 117.006 115.700 0.494 0.000 2.565 67 S HA 0.378 4.848 4.470 -0.000 0.000 0.269 67 S C 0.563 175.439 174.600 0.460 0.000 1.153 67 S CA -0.765 57.734 58.200 0.498 0.000 0.835 67 S CB 0.669 64.139 63.200 0.451 0.000 1.122 67 S HN 0.631 nan 8.310 nan 0.000 0.462 68 M N 0.577 120.314 119.600 0.227 0.000 2.175 68 M HA 0.064 4.544 4.480 -0.000 0.000 0.264 68 M C 1.649 177.947 176.300 -0.005 0.000 1.063 68 M CA 1.615 56.931 55.300 0.028 0.000 1.119 68 M CB -0.514 32.056 32.600 -0.050 0.000 1.377 68 M HN 0.771 nan 8.290 nan 0.000 0.415 69 F N 1.366 121.134 119.950 -0.303 0.000 2.051 69 F HA -0.196 4.331 4.527 -0.000 0.000 0.296 69 F C 2.097 177.784 175.800 -0.189 0.000 1.122 69 F CA 1.551 59.095 58.000 -0.760 0.000 1.201 69 F CB -0.635 38.085 39.000 -0.465 0.000 0.978 69 F HN -0.032 nan 8.300 nan 0.000 0.472 70 L N -0.469 120.827 121.223 0.121 0.000 2.013 70 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 70 L C 2.341 179.394 176.870 0.304 0.000 1.073 70 L CA 2.134 57.173 54.840 0.333 0.000 0.753 70 L CB -0.657 41.691 42.059 0.483 0.000 0.890 70 L HN 0.149 nan 8.230 nan 0.000 0.432 71 S N -0.278 115.574 115.700 0.253 0.000 2.423 71 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 71 S C 1.649 176.260 174.600 0.019 0.000 1.014 71 S CA 1.191 59.536 58.200 0.241 0.000 0.965 71 S CB -0.263 63.205 63.200 0.445 0.000 0.785 71 S HN 0.400 nan 8.310 nan 0.000 0.495 72 L N 1.467 122.583 121.223 -0.178 0.000 2.027 72 L HA -0.040 4.300 4.340 -0.000 0.000 0.206 72 L C 1.994 178.578 176.870 -0.476 0.000 1.074 72 L CA 1.944 56.543 54.840 -0.402 0.000 0.745 72 L CB -0.581 41.122 42.059 -0.594 0.000 0.898 72 L HN 0.308 nan 8.230 nan 0.000 0.433 73 H N -2.315 116.496 119.070 -0.431 0.000 2.525 73 H HA 0.065 4.620 4.556 -0.000 0.000 0.275 73 H C -0.231 174.623 175.328 -0.790 0.000 0.984 73 H CA 0.485 56.100 56.048 -0.722 0.000 1.264 73 H CB 0.181 29.198 29.762 -1.242 0.000 1.432 73 H HN 0.281 nan 8.280 nan 0.000 0.549 74 W N 1.427 122.650 121.300 -0.129 0.000 2.915 74 W HA 0.250 4.910 4.660 -0.000 0.000 0.337 74 W C 0.017 176.518 176.519 -0.030 0.000 1.102 74 W CA -0.807 56.452 57.345 -0.144 0.000 1.224 74 W CB 1.184 30.439 29.460 -0.341 0.000 1.416 74 W HN -0.075 nan 8.180 nan 0.000 0.503 75 N N 1.210 120.047 118.700 0.229 0.000 2.452 75 N HA 0.150 4.890 4.740 -0.000 0.000 0.296 75 N C -0.158 175.436 175.510 0.140 0.000 1.304 75 N CA -0.426 52.700 53.050 0.125 0.000 0.956 75 N CB 0.083 38.582 38.487 0.020 0.000 1.106 75 N HN 0.242 nan 8.380 nan 0.000 0.555 76 N N 1.210 119.904 118.700 -0.010 0.000 2.475 76 N HA 0.099 4.838 4.740 -0.000 0.000 0.267 76 N C -0.412 174.937 175.510 -0.268 0.000 1.169 76 N CA 0.565 53.602 53.050 -0.022 0.000 0.947 76 N CB 0.218 38.693 38.487 -0.020 0.000 1.061 76 N HN 0.381 nan 8.380 nan 0.000 0.466 77 H N -0.979 118.171 119.070 0.132 0.000 2.931 77 H HA 0.153 4.709 4.556 -0.000 0.000 0.331 77 H C 1.004 176.404 175.328 0.121 0.000 1.273 77 H CA -0.512 55.611 56.048 0.126 0.000 1.171 77 H CB 1.116 30.964 29.762 0.143 0.000 1.898 77 H HN 0.498 nan 8.280 nan 0.000 0.562 78 S N -0.035 115.796 115.700 0.218 0.000 2.382 78 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 78 S C 1.218 175.831 174.600 0.022 0.000 1.027 78 S CA 1.603 59.856 58.200 0.089 0.000 0.991 78 S CB -0.218 63.016 63.200 0.057 0.000 0.823 78 S HN 0.416 nan 8.310 nan 0.000 0.469 79 S N 0.492 116.191 115.700 -0.001 0.000 2.572 79 S HA 0.458 4.928 4.470 -0.000 0.000 0.228 79 S C -0.814 173.419 174.600 -0.612 0.000 0.963 79 S CA -0.528 57.490 58.200 -0.303 0.000 0.939 79 S CB -0.200 62.739 63.200 -0.437 0.000 0.804 79 S HN 0.505 nan 8.310 nan 0.000 0.480 80 F N 0.920 120.813 119.950 -0.094 0.000 2.553 80 F HA 0.398 4.925 4.527 -0.000 0.000 0.335 80 F C -0.442 175.371 175.800 0.021 0.000 1.148 80 F CA -0.913 57.034 58.000 -0.088 0.000 0.963 80 F CB 1.460 40.368 39.000 -0.155 0.000 1.217 80 F HN -0.282 nan 8.300 nan 0.000 0.441 81 V N 2.755 122.766 119.914 0.162 0.000 2.288 81 V HA 0.261 4.381 4.120 -0.000 0.000 0.266 81 V C 0.118 176.343 176.094 0.219 0.000 1.048 81 V CA -0.330 62.063 62.300 0.155 0.000 0.842 81 V CB 0.968 32.849 31.823 0.095 0.000 1.064 81 V HN 0.741 nan 8.190 nan 0.000 0.472 82 S N 5.098 120.936 115.700 0.231 0.000 2.475 82 S HA 0.560 5.030 4.470 -0.000 0.000 0.281 82 S C -0.917 173.839 174.600 0.260 0.000 1.198 82 S CA -0.331 58.026 58.200 0.262 0.000 1.063 82 S CB 0.416 63.749 63.200 0.221 0.000 0.972 82 S HN 0.624 nan 8.310 nan 0.000 0.486 83 Y N 2.856 123.229 120.300 0.122 0.000 2.446 83 Y HA 0.381 4.931 4.550 -0.000 0.000 0.338 83 Y C -0.317 175.616 175.900 0.056 0.000 1.055 83 Y CA -0.929 57.169 58.100 -0.003 0.000 1.101 83 Y CB 1.233 39.545 38.460 -0.246 0.000 1.221 83 Y HN 0.529 nan 8.280 nan 0.000 0.460 84 D N 5.426 125.462 120.400 -0.608 0.000 2.619 84 D HA 0.055 4.695 4.640 -0.000 0.000 0.224 84 D C -0.891 175.090 176.300 -0.532 0.000 1.133 84 D CA 0.355 54.101 54.000 -0.423 0.000 1.017 84 D CB -0.590 40.031 40.800 -0.299 0.000 1.077 84 D HN 0.412 nan 8.370 nan 0.000 0.503 85 Y N 0.905 121.127 120.300 -0.131 0.000 2.712 85 Y HA 0.068 4.618 4.550 -0.000 0.000 0.333 85 Y C 0.298 176.444 175.900 0.411 0.000 1.225 85 Y CA 0.346 58.608 58.100 0.270 0.000 1.499 85 Y CB 0.283 39.086 38.460 0.571 0.000 1.288 85 Y HN 0.183 nan 8.280 nan 0.000 0.575 86 F N 4.440 124.650 119.950 0.433 0.000 3.102 86 F HA 0.383 4.910 4.527 -0.000 0.000 0.359 86 F C -1.909 174.028 175.800 0.228 0.000 1.243 86 F CA -0.980 57.204 58.000 0.307 0.000 1.215 86 F CB 0.480 39.554 39.000 0.123 0.000 1.549 86 F HN 0.504 nan 8.300 nan 0.000 0.657 87 N N 3.946 122.501 118.700 -0.242 0.000 2.484 87 N HA 0.705 5.445 4.740 -0.000 0.000 0.269 87 N C -1.846 173.447 175.510 -0.361 0.000 1.237 87 N CA -0.145 52.550 53.050 -0.592 0.000 0.838 87 N CB 2.575 40.562 38.487 -0.832 0.000 1.593 87 N HN 0.627 nan 8.380 nan 0.000 0.485 88 c N 0.318 118.674 118.600 -0.407 0.000 2.563 88 c HA 1.021 5.591 4.570 -0.000 0.000 0.314 88 c C 0.360 174.318 174.090 -0.219 0.000 1.199 88 c CA -0.700 55.506 56.329 -0.206 0.000 1.564 88 c CB 0.697 43.114 42.510 -0.156 0.000 2.173 88 c HN 0.765 nan 8.230 nan 0.000 0.485 89 G N 1.413 110.137 108.800 -0.127 0.000 2.498 89 G HA2 0.418 4.378 3.960 -0.000 0.000 0.301 89 G HA3 0.418 4.378 3.960 -0.000 0.000 0.301 89 G C -0.101 174.768 174.900 -0.052 0.000 1.577 89 G CA -0.304 44.715 45.100 -0.136 0.000 0.868 89 G HN 0.492 nan 8.290 nan 0.000 0.599 90 V N 0.647 120.520 119.914 -0.068 0.000 2.295 90 V HA -0.038 4.082 4.120 -0.000 0.000 0.246 90 V C 1.413 177.501 176.094 -0.011 0.000 1.049 90 V CA 1.946 64.222 62.300 -0.041 0.000 1.024 90 V CB -0.461 31.325 31.823 -0.062 0.000 0.648 90 V HN 0.691 nan 8.190 nan 0.000 0.447 91 E N -0.074 120.151 120.200 0.042 0.000 2.242 91 E HA 0.528 4.878 4.350 -0.000 0.000 0.275 91 E C -0.725 175.974 176.600 0.164 0.000 1.002 91 E CA -0.438 56.037 56.400 0.124 0.000 0.841 91 E CB 1.276 31.107 29.700 0.218 0.000 1.109 91 E HN 0.351 nan 8.360 nan 0.000 0.394 92 K N 1.061 121.576 120.400 0.191 0.000 2.513 92 K HA 0.455 4.775 4.320 -0.000 0.000 0.251 92 K C -1.492 175.216 176.600 0.180 0.000 0.939 92 K CA -0.670 55.705 56.287 0.146 0.000 0.793 92 K CB 2.413 35.053 32.500 0.232 0.000 1.241 92 K HN 0.163 nan 8.250 nan 0.000 0.431 93 V N 3.673 123.614 119.914 0.044 0.000 2.407 93 V HA 0.445 4.565 4.120 -0.000 0.000 0.291 93 V C -1.121 175.038 176.094 0.109 0.000 1.018 93 V CA -0.789 61.608 62.300 0.162 0.000 0.842 93 V CB 0.713 32.653 31.823 0.194 0.000 0.996 93 V HN 0.589 nan 8.190 nan 0.000 0.426 94 F N 4.581 124.731 119.950 0.334 0.000 2.411 94 F HA 0.521 5.048 4.527 -0.000 0.000 0.352 94 F C -0.306 175.773 175.800 0.465 0.000 1.123 94 F CA -0.449 57.798 58.000 0.412 0.000 1.044 94 F CB 1.454 40.656 39.000 0.337 0.000 1.135 94 F HN 0.532 nan 8.300 nan 0.000 0.461 95 Y N 3.934 124.537 120.300 0.505 0.000 2.513 95 Y HA 0.397 4.947 4.550 -0.000 0.000 0.341 95 Y C -1.128 174.969 175.900 0.329 0.000 1.075 95 Y CA -0.954 57.370 58.100 0.372 0.000 1.190 95 Y CB -0.040 38.624 38.460 0.340 0.000 1.111 95 Y HN 0.701 nan 8.280 nan 0.000 0.644 96 E N -0.419 119.849 120.200 0.114 0.000 2.449 96 E HA 0.854 5.204 4.350 -0.000 0.000 0.278 96 E C 0.286 176.883 176.600 -0.005 0.000 1.059 96 E CA -0.681 55.732 56.400 0.021 0.000 0.854 96 E CB 1.112 30.969 29.700 0.263 0.000 1.465 96 E HN 0.352 nan 8.360 nan 0.000 0.462 97 G N -0.774 108.045 108.800 0.033 0.000 2.705 97 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.193 97 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.193 97 G C 0.868 175.772 174.900 0.006 0.000 1.015 97 G CA 0.072 45.203 45.100 0.052 0.000 0.743 97 G HN 0.851 nan 8.290 nan 0.000 0.476 98 V N 1.895 121.673 119.914 -0.227 0.000 2.594 98 V HA -0.043 4.077 4.120 -0.000 0.000 0.253 98 V C 2.129 177.995 176.094 -0.380 0.000 1.069 98 V CA 2.578 64.561 62.300 -0.529 0.000 1.082 98 V CB -0.394 30.779 31.823 -1.083 0.000 0.680 98 V HN 0.477 nan 8.190 nan 0.000 0.469 99 N N -0.682 117.950 118.700 -0.113 0.000 2.550 99 N HA -0.033 4.706 4.740 -0.000 0.000 0.186 99 N C 0.061 175.696 175.510 0.210 0.000 1.110 99 N CA 0.617 53.731 53.050 0.105 0.000 0.912 99 N CB 0.072 38.637 38.487 0.130 0.000 0.968 99 N HN 0.581 nan 8.380 nan 0.000 0.448 100 F N 1.139 121.188 119.950 0.166 0.000 2.443 100 F HA 0.290 4.817 4.527 -0.000 0.000 0.369 100 F C -0.329 175.603 175.800 0.220 0.000 1.090 100 F CA -0.396 57.744 58.000 0.232 0.000 1.129 100 F CB 0.630 39.892 39.000 0.437 0.000 1.367 100 F HN -0.304 nan 8.300 nan 0.000 0.465 101 S N 4.484 120.309 115.700 0.208 0.000 2.697 101 S HA 0.398 4.868 4.470 -0.000 0.000 0.289 101 S C -2.076 172.626 174.600 0.169 0.000 1.149 101 S CA -1.193 57.162 58.200 0.258 0.000 0.850 101 S CB 2.031 65.384 63.200 0.253 0.000 1.151 101 S HN 0.238 nan 8.310 nan 0.000 0.491 102 P HA -0.075 nan 4.420 nan 0.000 0.219 102 P C 1.466 178.815 177.300 0.082 0.000 1.146 102 P CA 0.875 64.060 63.100 0.141 0.000 0.808 102 P CB 0.090 31.881 31.700 0.152 0.000 0.779 103 R N 0.651 121.228 120.500 0.129 0.000 2.119 103 R HA -0.220 4.120 4.340 -0.000 0.000 0.246 103 R C 2.119 178.372 176.300 -0.078 0.000 1.146 103 R CA 1.853 57.965 56.100 0.020 0.000 0.962 103 R CB -0.395 29.867 30.300 -0.065 0.000 0.863 103 R HN 0.097 nan 8.270 nan 0.000 0.442 104 K N 0.028 120.363 120.400 -0.109 0.000 2.280 104 K HA -0.133 4.187 4.320 -0.000 0.000 0.202 104 K C 0.167 176.650 176.600 -0.196 0.000 1.047 104 K CA 0.920 57.062 56.287 -0.243 0.000 0.942 104 K CB 0.263 32.486 32.500 -0.460 0.000 0.739 104 K HN 0.134 nan 8.250 nan 0.000 0.457 105 Q N -1.020 118.712 119.800 -0.114 0.000 2.457 105 Q HA -0.280 4.060 4.340 -0.000 0.000 0.283 105 Q C -1.155 174.796 176.000 -0.081 0.000 1.234 105 Q CA 1.012 56.774 55.803 -0.068 0.000 0.877 105 Q CB -2.273 26.423 28.738 -0.070 0.000 1.250 105 Q HN 0.482 nan 8.270 nan 0.000 0.481 106 Y N 0.332 120.497 120.300 -0.225 0.000 2.304 106 Y HA 0.441 4.991 4.550 -0.000 0.000 0.328 106 Y C 0.565 176.410 175.900 -0.091 0.000 1.123 106 Y CA 0.493 58.453 58.100 -0.233 0.000 1.218 106 Y CB 0.905 39.116 38.460 -0.415 0.000 1.207 106 Y HN 0.209 nan 8.280 nan 0.000 0.495 107 S N 3.459 118.568 115.700 -0.986 0.000 2.643 107 S HA 0.448 4.918 4.470 -0.000 0.000 0.270 107 S C -0.652 173.392 174.600 -0.927 0.000 1.166 107 S CA -0.391 57.410 58.200 -0.666 0.000 0.815 107 S CB 1.408 64.552 63.200 -0.092 0.000 1.139 107 S HN 0.897 nan 8.310 nan 0.000 0.472 108 c N -1.074 117.357 118.600 -0.281 0.000 2.857 108 c HA 0.595 5.165 4.570 -0.000 0.000 0.328 108 c C 0.374 174.386 174.090 -0.130 0.000 1.957 108 c CA -0.099 56.126 56.329 -0.175 0.000 2.134 108 c CB -0.847 41.692 42.510 0.048 0.000 1.814 108 c HN 0.876 nan 8.230 nan 0.000 0.703 109 W N 1.484 122.858 121.300 0.122 0.000 1.931 109 W HA 0.361 5.021 4.660 -0.000 0.000 0.642 109 W C 1.295 177.874 176.519 0.100 0.000 1.377 109 W CA 0.412 57.837 57.345 0.132 0.000 1.021 109 W CB -0.321 29.250 29.460 0.185 0.000 3.491 109 W HN 0.055 nan 8.180 nan 0.000 0.756 110 D N 0.576 121.208 120.400 0.387 0.000 2.328 110 D HA -0.078 4.561 4.640 -0.000 0.000 0.221 110 D C 1.739 178.147 176.300 0.181 0.000 1.072 110 D CA 0.330 54.463 54.000 0.222 0.000 0.850 110 D CB -0.228 40.698 40.800 0.210 0.000 0.922 110 D HN 0.368 nan 8.370 nan 0.000 0.516 111 E N 1.364 121.688 120.200 0.206 0.000 2.268 111 E HA -0.065 4.285 4.350 -0.000 0.000 0.195 111 E C 1.187 177.898 176.600 0.184 0.000 0.995 111 E CA 0.962 57.461 56.400 0.164 0.000 0.836 111 E CB -0.400 29.385 29.700 0.142 0.000 0.763 111 E HN 0.107 nan 8.360 nan 0.000 0.491 112 G N 0.254 109.173 108.800 0.197 0.000 2.796 112 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.226 112 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.226 112 G C 0.732 175.781 174.900 0.249 0.000 1.381 112 G CA 0.304 45.503 45.100 0.166 0.000 0.867 112 G HN 0.150 nan 8.290 nan 0.000 0.552 113 V N 0.426 120.457 119.914 0.195 0.000 2.407 113 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 113 V C 2.535 178.816 176.094 0.311 0.000 1.055 113 V CA 2.845 65.299 62.300 0.255 0.000 1.049 113 V CB -0.543 31.375 31.823 0.159 0.000 0.662 113 V HN 0.715 nan 8.190 nan 0.000 0.455 114 D N 0.551 121.084 120.400 0.221 0.000 2.224 114 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 114 D C 2.209 178.620 176.300 0.185 0.000 0.965 114 D CA 1.392 55.505 54.000 0.189 0.000 0.852 114 D CB -0.412 40.465 40.800 0.128 0.000 0.947 114 D HN 0.483 nan 8.370 nan 0.000 0.494 115 G N -0.019 108.896 108.800 0.191 0.000 2.440 115 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 115 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 115 G C 1.304 176.244 174.900 0.066 0.000 1.154 115 G CA 0.279 45.443 45.100 0.106 0.000 0.767 115 G HN 0.270 nan 8.290 nan 0.000 0.552 116 W N 0.103 121.554 121.300 0.252 0.000 2.678 116 W HA 0.233 4.893 4.660 -0.000 0.000 0.256 116 W C 2.169 178.852 176.519 0.273 0.000 1.280 116 W CA -0.363 57.193 57.345 0.350 0.000 1.345 116 W CB 0.145 29.990 29.460 0.642 0.000 1.118 116 W HN 0.051 nan 8.180 nan 0.000 0.629 117 I N 0.075 120.878 120.570 0.388 0.000 2.546 117 I HA -0.177 3.993 4.170 -0.000 0.000 0.255 117 I C 2.178 178.337 176.117 0.069 0.000 1.163 117 I CA 1.372 62.804 61.300 0.221 0.000 1.457 117 I CB -1.447 36.678 38.000 0.207 0.000 1.092 117 I HN 0.033 nan 8.210 nan 0.000 0.434 118 E N 1.608 121.841 120.200 0.055 0.000 2.047 118 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 118 E C 2.284 178.860 176.600 -0.039 0.000 0.987 118 E CA 1.271 57.672 56.400 0.002 0.000 0.799 118 E CB -0.315 29.385 29.700 0.001 0.000 0.752 118 E HN 0.414 nan 8.360 nan 0.000 0.449 119 L N 0.498 121.677 121.223 -0.075 0.000 2.042 119 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 119 L C 2.732 179.489 176.870 -0.189 0.000 1.076 119 L CA 1.770 56.600 54.840 -0.016 0.000 0.749 119 L CB -0.646 41.306 42.059 -0.178 0.000 0.893 119 L HN 0.209 nan 8.230 nan 0.000 0.432 120 K N 0.033 120.094 120.400 -0.564 0.000 2.032 120 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 120 K C 2.018 178.367 176.600 -0.417 0.000 1.048 120 K CA 2.090 57.685 56.287 -1.153 0.000 0.927 120 K CB -0.084 31.969 32.500 -0.745 0.000 0.712 120 K HN 0.200 nan 8.250 nan 0.000 0.441 121 T N 0.865 115.309 114.554 -0.184 0.000 2.684 121 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 121 T C 1.838 176.470 174.700 -0.114 0.000 1.036 121 T CA 1.503 63.553 62.100 -0.082 0.000 1.148 121 T CB -0.194 68.649 68.868 -0.041 0.000 0.863 121 T HN 0.341 nan 8.240 nan 0.000 0.436 122 R N -0.037 120.404 120.500 -0.100 0.000 2.096 122 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 122 R C 2.227 178.375 176.300 -0.253 0.000 1.127 122 R CA 1.396 57.461 56.100 -0.057 0.000 0.968 122 R CB -0.524 29.869 30.300 0.155 0.000 0.861 122 R HN 0.409 nan 8.270 nan 0.000 0.440 123 F N 0.481 119.994 119.950 -0.728 0.000 2.051 123 F HA -0.219 4.308 4.527 -0.000 0.000 0.296 123 F C 1.723 177.084 175.800 -0.732 0.000 1.122 123 F CA 1.341 58.718 58.000 -1.039 0.000 1.201 123 F CB -0.512 37.854 39.000 -1.056 0.000 0.978 123 F HN -0.111 nan 8.300 nan 0.000 0.472 124 Y N 0.966 120.796 120.300 -0.783 0.000 2.274 124 Y HA -0.187 4.363 4.550 -0.000 0.000 0.290 124 Y C 2.709 177.906 175.900 -1.172 0.000 1.145 124 Y CA 1.850 59.252 58.100 -1.162 0.000 1.203 124 Y CB -1.388 36.602 38.460 -0.784 0.000 0.984 124 Y HN 0.086 nan 8.280 nan 0.000 0.533 125 T N -0.317 113.952 114.554 -0.475 0.000 2.652 125 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 125 T C 1.951 176.386 174.700 -0.442 0.000 1.039 125 T CA 1.915 63.844 62.100 -0.284 0.000 1.153 125 T CB -0.235 68.552 68.868 -0.135 0.000 0.863 125 T HN 0.042 nan 8.240 nan 0.000 0.428 126 K N 0.812 120.943 120.400 -0.449 0.000 2.097 126 K HA 0.060 4.380 4.320 -0.000 0.000 0.205 126 K C 2.019 178.339 176.600 -0.467 0.000 1.050 126 K CA 0.719 56.782 56.287 -0.373 0.000 0.938 126 K CB -0.696 31.682 32.500 -0.204 0.000 0.718 126 K HN 0.204 nan 8.250 nan 0.000 0.442 127 L N -0.138 120.611 121.223 -0.790 0.000 2.017 127 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 127 L C 1.711 178.295 176.870 -0.477 0.000 1.073 127 L CA 1.734 56.095 54.840 -0.798 0.000 0.745 127 L CB -0.665 40.596 42.059 -1.329 0.000 0.894 127 L HN 0.191 nan 8.230 nan 0.000 0.432 128 Y N 0.186 120.224 120.300 -0.437 0.000 2.114 128 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 128 Y C 2.743 178.531 175.900 -0.185 0.000 1.143 128 Y CA 1.426 59.364 58.100 -0.271 0.000 1.135 128 Y CB -1.312 37.112 38.460 -0.061 0.000 0.980 128 Y HN 0.330 nan 8.280 nan 0.000 0.499 129 Q N -0.476 119.171 119.800 -0.254 0.000 2.062 129 Q HA -0.267 4.073 4.340 -0.000 0.000 0.209 129 Q C 2.305 178.237 176.000 -0.113 0.000 0.996 129 Q CA 2.398 57.998 55.803 -0.338 0.000 0.859 129 Q CB -0.408 28.022 28.738 -0.513 0.000 0.920 129 Q HN 0.495 nan 8.270 nan 0.000 0.415 130 M N -0.460 119.083 119.600 -0.095 0.000 2.229 130 M HA -0.122 4.357 4.480 -0.000 0.000 0.264 130 M C 2.292 178.612 176.300 0.034 0.000 1.063 130 M CA 1.190 56.495 55.300 0.009 0.000 1.114 130 M CB -0.241 32.379 32.600 0.033 0.000 1.387 130 M HN 0.253 nan 8.290 nan 0.000 0.420 131 A N 0.644 123.481 122.820 0.029 0.000 1.972 131 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 131 A C 2.248 179.901 177.584 0.115 0.000 1.169 131 A CA 2.151 54.252 52.037 0.106 0.000 0.635 131 A CB -1.269 17.856 19.000 0.209 0.000 0.810 131 A HN 0.610 nan 8.150 nan 0.000 0.446 132 T N -2.436 112.176 114.554 0.097 0.000 2.881 132 T HA -0.116 4.234 4.350 -0.000 0.000 0.270 132 T C 1.380 176.108 174.700 0.047 0.000 1.068 132 T CA 1.927 64.074 62.100 0.079 0.000 1.131 132 T CB -0.914 68.006 68.868 0.088 0.000 0.871 132 T HN 0.660 nan 8.240 nan 0.000 0.479 133 T N -0.939 113.646 114.554 0.052 0.000 3.215 133 T HA 0.531 4.881 4.350 -0.000 0.000 0.271 133 T C 0.094 174.829 174.700 0.058 0.000 1.012 133 T CA -0.701 61.428 62.100 0.047 0.000 0.899 133 T CB -0.012 68.885 68.868 0.048 0.000 1.089 133 T HN 0.268 nan 8.240 nan 0.000 0.552 134 S N 0.216 115.954 115.700 0.064 0.000 2.599 134 S HA 0.620 5.090 4.470 -0.000 0.000 0.287 134 S C 0.485 175.123 174.600 0.064 0.000 1.105 134 S CA -1.114 57.125 58.200 0.066 0.000 0.899 134 S CB 3.054 66.299 63.200 0.074 0.000 1.100 134 S HN 0.314 nan 8.310 nan 0.000 0.482 135 R N -0.307 120.227 120.500 0.057 0.000 2.121 135 R HA 0.315 4.655 4.340 -0.000 0.000 0.206 135 R C -0.220 176.118 176.300 0.063 0.000 1.094 135 R CA 0.587 56.712 56.100 0.043 0.000 1.055 135 R CB -0.081 30.231 30.300 0.020 0.000 0.964 135 R HN 0.677 nan 8.270 nan 0.000 0.473 136 c N 1.574 120.225 118.600 0.085 0.000 2.350 136 c HA 0.563 5.133 4.570 -0.000 0.000 0.348 136 c C -0.232 173.969 174.090 0.186 0.000 1.260 136 c CA -0.689 55.719 56.329 0.132 0.000 1.966 136 c CB 0.512 43.127 42.510 0.175 0.000 2.380 136 c HN 0.396 nan 8.230 nan 0.000 0.535 137 I N 3.182 123.915 120.570 0.271 0.000 2.468 137 I HA 0.430 4.599 4.170 -0.000 0.000 0.285 137 I C -0.328 176.075 176.117 0.477 0.000 1.039 137 I CA -0.241 61.234 61.300 0.292 0.000 1.074 137 I CB 1.149 39.240 38.000 0.153 0.000 1.228 137 I HN 0.554 nan 8.210 nan 0.000 0.436 138 K N 6.247 126.927 120.400 0.468 0.000 2.578 138 K HA 0.416 4.735 4.320 -0.000 0.000 0.250 138 K C -1.464 175.309 176.600 0.289 0.000 0.955 138 K CA -0.845 55.723 56.287 0.468 0.000 0.825 138 K CB 1.950 34.638 32.500 0.314 0.000 1.151 138 K HN 0.419 nan 8.250 nan 0.000 0.432 139 L N 7.300 128.657 121.223 0.223 0.000 2.433 139 L HA 0.308 4.648 4.340 -0.000 0.000 0.275 139 L C -0.571 176.230 176.870 -0.115 0.000 1.128 139 L CA 0.233 54.959 54.840 -0.191 0.000 0.875 139 L CB -0.078 41.868 42.059 -0.187 0.000 1.171 139 L HN 0.549 nan 8.230 nan 0.000 0.463 140 I N 1.731 122.221 120.570 -0.133 0.000 2.797 140 I HA 0.544 4.714 4.170 -0.000 0.000 0.307 140 I C -0.579 175.479 176.117 -0.097 0.000 1.033 140 I CA -0.981 60.269 61.300 -0.085 0.000 1.071 140 I CB 1.684 39.667 38.000 -0.028 0.000 1.255 140 I HN 0.377 nan 8.210 nan 0.000 0.445 141 Q N 4.080 123.835 119.800 -0.075 0.000 2.256 141 Q HA 0.526 4.866 4.340 -0.000 0.000 0.254 141 Q C -0.964 175.005 176.000 -0.051 0.000 0.916 141 Q CA -0.505 55.258 55.803 -0.066 0.000 0.932 141 Q CB 2.343 31.050 28.738 -0.052 0.000 1.207 141 Q HN 0.625 nan 8.270 nan 0.000 0.426 142 L N 2.934 124.127 121.223 -0.050 0.000 2.276 142 L HA 0.163 4.503 4.340 -0.000 0.000 0.286 142 L C 0.701 177.565 176.870 -0.008 0.000 1.061 142 L CA -0.725 54.096 54.840 -0.032 0.000 0.807 142 L CB 0.741 42.778 42.059 -0.037 0.000 1.177 142 L HN 0.318 nan 8.230 nan 0.000 0.429 143 Q N 2.493 122.288 119.800 -0.008 0.000 2.398 143 Q HA -0.009 4.331 4.340 -0.000 0.000 0.329 143 Q C 0.220 176.221 176.000 0.002 0.000 1.079 143 Q CA 0.126 55.925 55.803 -0.006 0.000 1.041 143 Q CB 0.464 29.194 28.738 -0.013 0.000 1.084 143 Q HN 0.692 nan 8.270 nan 0.000 0.386 144 A N 6.021 128.844 122.820 0.004 0.000 2.540 144 A HA 0.274 4.593 4.320 -0.000 0.000 0.239 144 A C -1.834 175.715 177.584 -0.058 0.000 1.061 144 A CA -0.953 51.085 52.037 0.003 0.000 0.758 144 A CB -0.409 18.605 19.000 0.024 0.000 0.991 144 A HN 0.439 nan 8.150 nan 0.000 0.502 145 P HA 0.099 nan 4.420 nan 0.000 0.265 145 P C 0.729 177.962 177.300 -0.112 0.000 1.193 145 P CA 0.140 63.131 63.100 -0.181 0.000 0.765 145 P CB 0.771 32.234 31.700 -0.396 0.000 0.823 146 S N 0.832 116.487 115.700 -0.075 0.000 2.357 146 S HA -0.099 4.371 4.470 -0.000 0.000 0.221 146 S C 1.518 176.091 174.600 -0.045 0.000 1.031 146 S CA 1.174 59.344 58.200 -0.050 0.000 0.982 146 S CB -0.368 62.809 63.200 -0.039 0.000 0.853 146 S HN 0.508 nan 8.310 nan 0.000 0.458 147 S N 1.378 117.048 115.700 -0.049 0.000 2.930 147 S HA 0.310 4.780 4.470 -0.000 0.000 0.257 147 S C 0.052 174.631 174.600 -0.035 0.000 1.208 147 S CA -0.271 57.908 58.200 -0.035 0.000 1.233 147 S CB -0.830 62.352 63.200 -0.029 0.000 0.900 147 S HN 0.282 nan 8.310 nan 0.000 0.472 148 L N 4.035 125.235 121.223 -0.038 0.000 2.500 148 L HA 0.255 4.594 4.340 -0.000 0.000 0.272 148 L C -1.413 175.456 176.870 -0.003 0.000 1.149 148 L CA -1.239 53.584 54.840 -0.027 0.000 0.897 148 L CB 0.436 42.484 42.059 -0.018 0.000 1.178 148 L HN 0.342 nan 8.230 nan 0.000 0.473 149 P HA 0.173 nan 4.420 nan 0.000 0.282 149 P C -0.569 176.742 177.300 0.018 0.000 1.287 149 P CA -0.619 62.486 63.100 0.009 0.000 0.792 149 P CB 0.399 32.103 31.700 0.007 0.000 1.163 150 T N 0.774 115.335 114.554 0.013 0.000 2.831 150 T HA 0.198 4.548 4.350 -0.000 0.000 0.291 150 T C 0.270 174.981 174.700 0.020 0.000 0.981 150 T CA 0.523 62.633 62.100 0.016 0.000 1.174 150 T CB -0.627 68.247 68.868 0.009 0.000 0.929 150 T HN 0.169 nan 8.240 nan 0.000 0.532 151 L N 2.987 124.228 121.223 0.030 0.000 2.354 151 L HA 0.528 4.867 4.340 -0.000 0.000 0.264 151 L C -0.075 176.814 176.870 0.032 0.000 1.008 151 L CA -0.915 53.946 54.840 0.035 0.000 0.819 151 L CB 2.402 44.500 42.059 0.066 0.000 1.339 151 L HN 0.528 nan 8.230 nan 0.000 0.420 152 Q N 1.734 121.550 119.800 0.027 0.000 2.333 152 Q HA 0.666 5.005 4.340 -0.000 0.000 0.267 152 Q C -0.715 175.311 176.000 0.043 0.000 1.012 152 Q CA -0.737 55.086 55.803 0.034 0.000 0.824 152 Q CB 2.113 30.869 28.738 0.031 0.000 1.290 152 Q HN 0.738 nan 8.270 nan 0.000 0.449 153 A N 2.814 125.663 122.820 0.048 0.000 2.511 153 A HA 0.460 4.780 4.320 -0.000 0.000 0.242 153 A C 0.516 178.147 177.584 0.077 0.000 1.069 153 A CA 0.551 52.619 52.037 0.052 0.000 0.763 153 A CB 0.107 19.138 19.000 0.052 0.000 1.001 153 A HN 0.847 nan 8.150 nan 0.000 0.498 154 G N -0.044 108.809 108.800 0.088 0.000 2.599 154 G HA2 0.544 4.503 3.960 -0.000 0.000 0.264 154 G HA3 0.544 4.503 3.960 -0.000 0.000 0.264 154 G C 0.094 175.094 174.900 0.165 0.000 1.200 154 G CA 0.292 45.479 45.100 0.145 0.000 0.896 154 G HN 1.908 nan 8.290 nan 0.000 0.536 155 V N -2.844 117.214 119.914 0.240 0.000 3.126 155 V HA 0.700 4.820 4.120 -0.000 0.000 0.314 155 V C -0.020 176.205 176.094 0.218 0.000 1.138 155 V CA -1.344 61.063 62.300 0.178 0.000 1.034 155 V CB 1.185 33.077 31.823 0.115 0.000 1.075 155 V HN 0.827 nan 8.190 nan 0.000 0.442 156 c N 1.587 120.192 118.600 0.008 0.000 2.466 156 c HA 0.465 5.035 4.570 -0.000 0.000 0.379 156 c C 1.988 175.725 174.090 -0.588 0.000 1.251 156 c CA -0.134 56.038 56.329 -0.262 0.000 2.263 156 c CB 0.697 43.087 42.510 -0.200 0.000 2.511 156 c HN 1.073 nan 8.230 nan 0.000 0.573 157 R N 0.763 120.515 120.500 -1.247 0.000 2.092 157 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 157 R C 1.995 178.018 176.300 -0.461 0.000 1.119 157 R CA 2.026 57.551 56.100 -0.958 0.000 0.970 157 R CB -0.365 29.265 30.300 -1.116 0.000 0.864 157 R HN 0.968 nan 8.270 nan 0.000 0.440 158 T N -1.304 113.013 114.554 -0.394 0.000 3.160 158 T HA 0.016 4.365 4.350 -0.000 0.000 0.257 158 T C 0.518 175.097 174.700 -0.201 0.000 1.147 158 T CA 0.597 62.544 62.100 -0.256 0.000 1.064 158 T CB -0.135 68.575 68.868 -0.262 0.000 0.949 158 T HN 0.324 nan 8.240 nan 0.000 0.526 159 N N -0.046 118.536 118.700 -0.197 0.000 2.863 159 N HA -0.141 4.599 4.740 -0.000 0.000 0.245 159 N C -0.199 175.257 175.510 -0.089 0.000 1.001 159 N CA 1.130 54.108 53.050 -0.120 0.000 0.901 159 N CB -1.269 37.165 38.487 -0.089 0.000 1.124 159 N HN 0.601 nan 8.380 nan 0.000 0.582 160 K N 0.484 120.812 120.400 -0.120 0.000 2.140 160 K HA 0.232 4.552 4.320 -0.000 0.000 0.237 160 K C 0.706 177.330 176.600 0.039 0.000 1.045 160 K CA -0.428 55.832 56.287 -0.045 0.000 0.896 160 K CB 0.295 32.703 32.500 -0.154 0.000 1.122 160 K HN -0.073 nan 8.250 nan 0.000 0.503 161 Q N 1.812 121.694 119.800 0.137 0.000 2.286 161 Q HA 0.118 4.458 4.340 -0.000 0.000 0.267 161 Q C -1.124 174.972 176.000 0.161 0.000 1.028 161 Q CA -0.043 55.753 55.803 -0.011 0.000 0.901 161 Q CB 0.398 28.917 28.738 -0.366 0.000 1.183 161 Q HN 0.373 nan 8.270 nan 0.000 0.392 162 L N 7.125 128.395 121.223 0.078 0.000 2.490 162 L HA 0.306 4.646 4.340 -0.000 0.000 0.274 162 L C -2.181 174.660 176.870 -0.048 0.000 1.201 162 L CA -1.119 53.762 54.840 0.068 0.000 0.869 162 L CB 0.387 42.480 42.059 0.057 0.000 1.123 162 L HN 0.607 nan 8.230 nan 0.000 0.484 163 P HA 0.019 nan 4.420 nan 0.000 0.265 163 P C -0.584 176.445 177.300 -0.452 0.000 1.193 163 P CA 0.186 62.706 63.100 -0.967 0.000 0.765 163 P CB 0.424 31.626 31.700 -0.830 0.000 0.823 164 D N 0.956 121.106 120.400 -0.416 0.000 2.347 164 D HA -0.033 4.607 4.640 -0.000 0.000 0.213 164 D C 0.308 176.480 176.300 -0.214 0.000 0.985 164 D CA 1.296 55.185 54.000 -0.184 0.000 0.879 164 D CB -0.001 40.771 40.800 -0.046 0.000 0.919 164 D HN 0.342 nan 8.370 nan 0.000 0.526 165 N N 0.638 119.175 118.700 -0.272 0.000 2.454 165 N HA 0.184 4.924 4.740 -0.000 0.000 0.291 165 N C -2.869 172.568 175.510 -0.122 0.000 1.079 165 N CA -1.691 51.225 53.050 -0.223 0.000 0.893 165 N CB 2.521 40.860 38.487 -0.247 0.000 1.512 165 N HN -0.290 nan 8.380 nan 0.000 0.497 166 P HA 0.119 nan 4.420 nan 0.000 0.272 166 P C -0.679 176.485 177.300 -0.226 0.000 1.223 166 P CA -0.288 62.707 63.100 -0.174 0.000 0.784 166 P CB 0.831 32.465 31.700 -0.110 0.000 0.923 167 R N 1.903 122.167 120.500 -0.393 0.000 2.401 167 R HA 0.215 4.555 4.340 -0.000 0.000 0.299 167 R C -0.559 175.534 176.300 -0.345 0.000 1.064 167 R CA -0.556 55.294 56.100 -0.417 0.000 1.000 167 R CB -0.188 29.706 30.300 -0.676 0.000 0.973 167 R HN 0.379 nan 8.270 nan 0.000 0.438 168 L N 4.611 125.740 121.223 -0.158 0.000 2.272 168 L HA 0.566 4.905 4.340 -0.000 0.000 0.289 168 L C -1.106 175.741 176.870 -0.038 0.000 1.032 168 L CA 0.068 54.864 54.840 -0.074 0.000 0.810 168 L CB 1.271 43.341 42.059 0.019 0.000 1.205 168 L HN 0.764 nan 8.230 nan 0.000 0.422 169 A N 4.720 127.523 122.820 -0.028 0.000 2.485 169 A HA 0.873 5.193 4.320 -0.000 0.000 0.292 169 A C -1.800 175.797 177.584 0.021 0.000 1.147 169 A CA -0.618 51.424 52.037 0.009 0.000 0.750 169 A CB 1.366 20.372 19.000 0.011 0.000 1.331 169 A HN 0.563 nan 8.150 nan 0.000 0.419 170 L N 0.784 122.013 121.223 0.009 0.000 2.356 170 L HA 0.535 4.874 4.340 -0.000 0.000 0.277 170 L C -0.315 176.518 176.870 -0.061 0.000 0.996 170 L CA 0.120 54.929 54.840 -0.053 0.000 0.822 170 L CB 1.423 43.463 42.059 -0.032 0.000 1.256 170 L HN 0.694 nan 8.230 nan 0.000 0.413 171 L N 1.149 122.307 121.223 -0.109 0.000 2.468 171 L HA 0.346 4.686 4.340 -0.000 0.000 0.254 171 L C 1.402 178.225 176.870 -0.078 0.000 1.171 171 L CA -0.029 54.766 54.840 -0.074 0.000 0.809 171 L CB 0.606 42.617 42.059 -0.080 0.000 1.155 171 L HN 0.659 nan 8.230 nan 0.000 0.473 172 S N -1.055 114.615 115.700 -0.049 0.000 2.436 172 S HA -0.045 4.425 4.470 -0.000 0.000 0.228 172 S C 0.041 174.612 174.600 -0.049 0.000 1.014 172 S CA 0.550 58.727 58.200 -0.038 0.000 0.950 172 S CB -0.404 62.784 63.200 -0.020 0.000 0.784 172 S HN 0.826 nan 8.310 nan 0.000 0.504 173 D N 0.028 120.392 120.400 -0.059 0.000 2.525 173 D HA 0.366 5.006 4.640 -0.000 0.000 0.249 173 D C 0.394 176.637 176.300 -0.095 0.000 1.072 173 D CA -0.557 53.407 54.000 -0.060 0.000 1.067 173 D CB 0.392 41.169 40.800 -0.038 0.000 1.282 173 D HN 0.051 nan 8.370 nan 0.000 0.587 174 T N -3.093 111.413 114.554 -0.080 0.000 3.174 174 T HA 0.320 4.670 4.350 -0.000 0.000 0.269 174 T C 0.305 174.971 174.700 -0.057 0.000 1.017 174 T CA -0.443 61.598 62.100 -0.097 0.000 0.899 174 T CB -0.732 68.089 68.868 -0.079 0.000 1.077 174 T HN 0.245 nan 8.240 nan 0.000 0.552 175 V N 2.638 122.527 119.914 -0.040 0.000 2.732 175 V HA 0.360 4.480 4.120 -0.000 0.000 0.297 175 V C -2.199 173.888 176.094 -0.012 0.000 1.060 175 V CA -2.182 60.108 62.300 -0.018 0.000 1.038 175 V CB 0.623 32.439 31.823 -0.012 0.000 1.003 175 V HN 0.220 nan 8.190 nan 0.000 0.481 176 P HA 0.229 nan 4.420 nan 0.000 0.265 176 P C -0.223 177.089 177.300 0.020 0.000 1.193 176 P CA 0.538 63.650 63.100 0.021 0.000 0.765 176 P CB 0.560 32.279 31.700 0.032 0.000 0.823 177 T N 0.976 115.548 114.554 0.031 0.000 2.754 177 T HA 0.673 5.022 4.350 -0.000 0.000 0.296 177 T C -1.382 173.354 174.700 0.059 0.000 1.205 177 T CA -0.408 61.712 62.100 0.033 0.000 1.009 177 T CB 0.915 69.794 68.868 0.018 0.000 1.368 177 T HN 0.159 nan 8.240 nan 0.000 0.509 178 S N 0.056 115.790 115.700 0.058 0.000 2.535 178 S HA 0.696 5.166 4.470 -0.000 0.000 0.272 178 S C -1.242 173.393 174.600 0.058 0.000 1.149 178 S CA -0.520 57.728 58.200 0.081 0.000 0.888 178 S CB 1.381 64.629 63.200 0.080 0.000 1.110 178 S HN 1.031 nan 8.310 nan 0.000 0.463 179 V N 1.103 121.061 119.914 0.074 0.000 3.040 179 V HA 0.750 4.870 4.120 -0.000 0.000 0.312 179 V C -0.842 175.289 176.094 0.061 0.000 1.115 179 V CA -0.962 61.349 62.300 0.018 0.000 0.998 179 V CB 1.803 33.578 31.823 -0.081 0.000 1.042 179 V HN 0.808 nan 8.190 nan 0.000 0.433 180 Q N 1.831 121.637 119.800 0.010 0.000 2.307 180 Q HA 0.714 5.054 4.340 -0.000 0.000 0.262 180 Q C -1.240 174.774 176.000 0.023 0.000 0.961 180 Q CA -0.542 55.260 55.803 -0.002 0.000 0.882 180 Q CB 1.639 30.348 28.738 -0.048 0.000 1.264 180 Q HN 0.830 nan 8.270 nan 0.000 0.446 181 F N 1.119 121.016 119.950 -0.088 0.000 2.577 181 F HA 0.812 5.339 4.527 -0.000 0.000 0.318 181 F C -1.482 174.275 175.800 -0.071 0.000 1.065 181 F CA -1.287 56.643 58.000 -0.117 0.000 0.929 181 F CB 1.078 39.985 39.000 -0.155 0.000 1.237 181 F HN 0.139 nan 8.300 nan 0.000 0.468 182 V N 4.295 124.203 119.914 -0.010 0.000 2.350 182 V HA 0.328 4.448 4.120 -0.000 0.000 0.285 182 V C -0.173 175.876 176.094 -0.076 0.000 1.014 182 V CA -0.746 61.501 62.300 -0.089 0.000 0.831 182 V CB 1.272 33.059 31.823 -0.060 0.000 1.000 182 V HN 0.731 nan 8.190 nan 0.000 0.433 183 L N 8.289 129.416 121.223 -0.159 0.000 2.295 183 L HA 0.381 4.720 4.340 -0.000 0.000 0.288 183 L C -2.006 174.756 176.870 -0.179 0.000 1.079 183 L CA -1.487 53.133 54.840 -0.367 0.000 0.830 183 L CB 1.149 42.849 42.059 -0.599 0.000 1.200 183 L HN 0.396 nan 8.230 nan 0.000 0.438 184 P HA 0.079 nan 4.420 nan 0.000 0.274 184 P C 0.647 178.041 177.300 0.158 0.000 1.237 184 P CA -0.303 62.824 63.100 0.045 0.000 0.793 184 P CB 1.218 32.941 31.700 0.038 0.000 0.977 185 G N 0.053 108.904 108.800 0.085 0.000 2.813 185 G HA2 0.129 4.089 3.960 -0.000 0.000 0.209 185 G HA3 0.129 4.089 3.960 -0.000 0.000 0.209 185 G C 0.321 175.249 174.900 0.046 0.000 1.150 185 G CA 0.383 45.526 45.100 0.072 0.000 0.785 185 G HN 0.767 nan 8.290 nan 0.000 0.535 186 S N -2.167 113.559 115.700 0.043 0.000 2.643 186 S HA 0.660 5.130 4.470 -0.000 0.000 0.270 186 S C -0.888 173.720 174.600 0.013 0.000 1.166 186 S CA -0.227 57.986 58.200 0.021 0.000 0.815 186 S CB 1.854 65.061 63.200 0.011 0.000 1.139 186 S HN 0.396 nan 8.310 nan 0.000 0.472 187 S N 0.130 115.823 115.700 -0.012 0.000 2.592 187 S HA 0.576 5.046 4.470 -0.000 0.000 0.151 187 S C 0.582 175.132 174.600 -0.084 0.000 1.280 187 S CA 0.694 58.867 58.200 -0.045 0.000 1.187 187 S CB -0.433 62.737 63.200 -0.051 0.000 1.471 187 S HN 2.588 nan 8.310 nan 0.000 0.409 188 G N 3.272 112.035 108.800 -0.062 0.000 2.536 188 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.277 188 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.277 188 G C 1.059 175.941 174.900 -0.031 0.000 1.155 188 G CA 1.091 46.154 45.100 -0.062 0.000 0.960 188 G HN 1.624 nan 8.290 nan 0.000 0.544 189 T N -1.385 113.155 114.554 -0.023 0.000 3.043 189 T HA 0.310 4.660 4.350 -0.000 0.000 0.263 189 T C 1.285 176.014 174.700 0.048 0.000 1.094 189 T CA 1.892 64.006 62.100 0.024 0.000 1.127 189 T CB -0.286 68.616 68.868 0.056 0.000 0.905 189 T HN 0.903 nan 8.240 nan 0.000 0.490 190 T N 3.999 118.577 114.554 0.040 0.000 2.884 190 T HA 0.439 4.788 4.350 -0.000 0.000 0.298 190 T C 0.054 174.777 174.700 0.039 0.000 0.998 190 T CA -0.500 61.648 62.100 0.080 0.000 1.124 190 T CB 0.516 69.452 68.868 0.113 0.000 0.931 190 T HN 0.155 nan 8.240 nan 0.000 0.531 191 I N 2.115 122.710 120.570 0.042 0.000 2.385 191 I HA 0.242 4.412 4.170 -0.000 0.000 0.294 191 I C 0.120 176.228 176.117 -0.014 0.000 0.988 191 I CA -0.771 60.539 61.300 0.017 0.000 1.265 191 I CB 1.101 39.114 38.000 0.022 0.000 1.388 191 I HN 0.702 nan 8.210 nan 0.000 0.480 192 c N 4.343 122.914 118.600 -0.048 0.000 2.176 192 c HA 0.238 4.807 4.570 -0.000 0.000 0.329 192 c C 1.817 175.830 174.090 -0.128 0.000 1.113 192 c CA -0.577 55.648 56.329 -0.174 0.000 1.562 192 c CB -0.736 41.584 42.510 -0.317 0.000 2.040 192 c HN 0.906 nan 8.230 nan 0.000 0.460 193 T N -1.277 113.218 114.554 -0.098 0.000 3.043 193 T HA 0.015 4.365 4.350 -0.000 0.000 0.263 193 T C 0.563 175.198 174.700 -0.108 0.000 1.094 193 T CA 0.755 62.827 62.100 -0.047 0.000 1.127 193 T CB 0.196 69.070 68.868 0.010 0.000 0.905 193 T HN 0.775 nan 8.240 nan 0.000 0.490 194 K N -0.143 120.105 120.400 -0.253 0.000 2.548 194 K HA 0.356 4.676 4.320 -0.000 0.000 0.282 194 K C -1.937 174.329 176.600 -0.557 0.000 1.006 194 K CA -0.860 55.160 56.287 -0.445 0.000 0.892 194 K CB 1.320 33.426 32.500 -0.656 0.000 1.499 194 K HN 0.228 nan 8.250 nan 0.000 0.433 195 H N 0.568 119.412 119.070 -0.378 0.000 2.679 195 H HA 0.365 4.921 4.556 -0.000 0.000 0.360 195 H C -1.049 174.163 175.328 -0.194 0.000 1.105 195 H CA -0.853 55.067 56.048 -0.213 0.000 1.196 195 H CB 2.599 32.242 29.762 -0.199 0.000 1.636 195 H HN 0.470 nan 8.280 nan 0.000 0.531 196 L N 3.802 125.069 121.223 0.074 0.000 2.257 196 L HA 0.373 4.713 4.340 -0.000 0.000 0.290 196 L C -1.077 175.878 176.870 0.141 0.000 1.044 196 L CA -0.575 54.336 54.840 0.118 0.000 0.810 196 L CB 0.224 42.386 42.059 0.172 0.000 1.193 196 L HN 0.260 nan 8.230 nan 0.000 0.425 197 V N 6.627 126.595 119.914 0.090 0.000 2.588 197 V HA 0.513 4.632 4.120 -0.000 0.000 0.304 197 V C -2.240 173.911 176.094 0.095 0.000 1.042 197 V CA -1.431 60.892 62.300 0.039 0.000 0.877 197 V CB 1.970 33.743 31.823 -0.082 0.000 0.996 197 V HN 0.666 nan 8.190 nan 0.000 0.425 198 P HA 0.359 nan 4.420 nan 0.000 0.284 198 P C -1.256 176.098 177.300 0.091 0.000 1.253 198 P CA -0.324 62.738 63.100 -0.064 0.000 0.800 198 P CB 1.104 32.741 31.700 -0.105 0.000 0.961 199 F N 3.831 123.654 119.950 -0.212 0.000 2.496 199 F HA 0.473 5.000 4.527 -0.000 0.000 0.341 199 F C -1.277 174.361 175.800 -0.270 0.000 1.134 199 F CA -0.401 57.451 58.000 -0.247 0.000 0.968 199 F CB 0.684 39.476 39.000 -0.347 0.000 1.205 199 F HN 0.307 nan 8.300 nan 0.000 0.436 200 c N 5.229 123.381 118.600 -0.747 0.000 2.707 200 c HA 0.868 5.438 4.570 -0.000 0.000 0.313 200 c C -1.012 172.538 174.090 -0.899 0.000 1.209 200 c CA -0.841 54.991 56.329 -0.829 0.000 1.635 200 c CB 1.030 43.128 42.510 -0.686 0.000 2.206 200 c HN 0.850 nan 8.230 nan 0.000 0.485 201 Y N -1.241 118.423 120.300 -1.060 0.000 2.656 201 Y HA 0.743 5.293 4.550 -0.000 0.000 0.334 201 Y C -1.558 173.532 175.900 -1.349 0.000 1.179 201 Y CA -1.584 55.854 58.100 -1.103 0.000 1.050 201 Y CB 0.458 38.315 38.460 -1.005 0.000 1.308 201 Y HN 0.462 nan 8.280 nan 0.000 0.456 202 L N 4.013 124.223 121.223 -1.688 0.000 2.257 202 L HA 0.367 4.707 4.340 -0.000 0.000 0.290 202 L C -0.243 175.979 176.870 -1.081 0.000 1.044 202 L CA -0.645 53.360 54.840 -1.392 0.000 0.810 202 L CB 0.577 41.718 42.059 -1.529 0.000 1.193 202 L HN 0.817 nan 8.230 nan 0.000 0.425 203 N N 2.196 120.511 118.700 -0.642 0.000 2.495 203 N HA 0.142 4.882 4.740 -0.000 0.000 0.294 203 N C -0.187 175.324 175.510 0.001 0.000 1.276 203 N CA -0.488 52.374 53.050 -0.312 0.000 0.973 203 N CB 0.115 38.405 38.487 -0.327 0.000 1.143 203 N HN 0.629 nan 8.380 nan 0.000 0.589 204 H N -1.642 117.521 119.070 0.156 0.000 2.847 204 H HA 0.017 4.573 4.556 -0.000 0.000 0.336 204 H C 0.718 176.152 175.328 0.178 0.000 1.221 204 H CA 0.517 56.643 56.048 0.129 0.000 1.162 204 H CB -1.664 28.122 29.762 0.040 0.000 1.566 204 H HN 1.148 nan 8.280 nan 0.000 0.430 205 G N -1.275 107.693 108.800 0.279 0.000 2.685 205 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.387 205 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.387 205 G C 0.446 175.478 174.900 0.221 0.000 1.324 205 G CA -0.506 44.713 45.100 0.199 0.000 0.878 205 G HN 1.176 nan 8.290 nan 0.000 0.527 206 c N -1.482 117.219 118.600 0.168 0.000 2.703 206 c HA 0.649 5.219 4.570 -0.000 0.000 0.411 206 c C 0.625 174.884 174.090 0.282 0.000 1.290 206 c CA -0.563 55.877 56.329 0.185 0.000 2.054 206 c CB -0.114 42.475 42.510 0.132 0.000 2.732 206 c HN 1.237 nan 8.230 nan 0.000 0.650 207 F N 1.807 121.824 119.950 0.111 0.000 2.361 207 F HA 0.397 4.924 4.527 -0.000 0.000 0.364 207 F C 0.564 176.493 175.800 0.215 0.000 1.117 207 F CA -0.115 57.921 58.000 0.060 0.000 1.071 207 F CB 0.934 39.825 39.000 -0.181 0.000 1.188 207 F HN 0.808 nan 8.300 nan 0.000 0.464 208 T N 4.476 118.988 114.554 -0.071 0.000 2.799 208 T HA 0.338 4.688 4.350 -0.000 0.000 0.296 208 T C -0.146 174.601 174.700 0.077 0.000 0.947 208 T CA 0.206 62.319 62.100 0.022 0.000 1.141 208 T CB 0.526 69.381 68.868 -0.021 0.000 0.891 208 T HN 0.701 nan 8.240 nan 0.000 0.533 209 T N 1.508 116.189 114.554 0.212 0.000 3.159 209 T HA 0.495 4.845 4.350 -0.000 0.000 0.343 209 T C 0.648 175.432 174.700 0.140 0.000 1.364 209 T CA 0.421 62.666 62.100 0.241 0.000 1.102 209 T CB 0.667 69.805 68.868 0.451 0.000 1.263 209 T HN 1.025 nan 8.240 nan 0.000 0.477 210 G N 1.903 110.766 108.800 0.104 0.000 2.179 210 G HA2 0.125 4.085 3.960 -0.000 0.000 0.257 210 G HA3 0.125 4.085 3.960 -0.000 0.000 0.257 210 G C 1.392 176.324 174.900 0.053 0.000 1.010 210 G CA 1.165 46.303 45.100 0.063 0.000 0.736 210 G HN 2.345 nan 8.290 nan 0.000 0.513 211 G N -2.269 106.566 108.800 0.059 0.000 2.176 211 G HA2 0.200 4.160 3.960 -0.000 0.000 0.253 211 G HA3 0.200 4.160 3.960 -0.000 0.000 0.253 211 G C 0.476 175.404 174.900 0.046 0.000 0.979 211 G CA 1.293 46.421 45.100 0.047 0.000 0.641 211 G HN 2.569 nan 8.290 nan 0.000 0.530 212 S N -1.982 113.753 115.700 0.058 0.000 2.556 212 S HA 0.562 5.032 4.470 -0.000 0.000 0.271 212 S C -0.379 174.273 174.600 0.086 0.000 1.135 212 S CA -0.267 57.969 58.200 0.060 0.000 0.858 212 S CB 1.944 65.174 63.200 0.049 0.000 1.114 212 S HN 1.162 nan 8.310 nan 0.000 0.468 213 c N 3.567 122.218 118.600 0.085 0.000 2.289 213 c HA 0.468 5.038 4.570 -0.000 0.000 0.340 213 c C 0.075 174.248 174.090 0.139 0.000 1.152 213 c CA -0.566 55.832 56.329 0.115 0.000 1.650 213 c CB -2.327 40.236 42.510 0.089 0.000 2.203 213 c HN 0.709 nan 8.230 nan 0.000 0.511 214 L N 8.194 129.541 121.223 0.208 0.000 2.326 214 L HA 0.355 4.695 4.340 -0.000 0.000 0.278 214 L C -1.918 175.089 176.870 0.228 0.000 1.092 214 L CA -1.605 53.355 54.840 0.201 0.000 0.810 214 L CB 0.834 43.010 42.059 0.195 0.000 1.153 214 L HN 0.364 nan 8.230 nan 0.000 0.439 215 P HA -0.007 nan 4.420 nan 0.000 0.268 215 P C -0.920 176.419 177.300 0.064 0.000 1.204 215 P CA 0.089 63.180 63.100 -0.014 0.000 0.768 215 P CB 0.273 31.883 31.700 -0.151 0.000 0.842 216 F N 3.249 123.117 119.950 -0.137 0.000 2.390 216 F HA 0.562 5.089 4.527 -0.000 0.000 0.361 216 F C 0.529 176.239 175.800 -0.150 0.000 1.124 216 F CA 0.341 58.253 58.000 -0.146 0.000 1.149 216 F CB 0.486 39.309 39.000 -0.296 0.000 1.160 216 F HN 0.322 nan 8.300 nan 0.000 0.501 217 G N 5.797 114.590 108.800 -0.013 0.000 2.704 217 G HA2 0.542 4.502 3.960 -0.000 0.000 0.280 217 G HA3 0.542 4.502 3.960 -0.000 0.000 0.280 217 G C -1.875 173.105 174.900 0.132 0.000 1.499 217 G CA -0.612 44.571 45.100 0.139 0.000 1.146 217 G HN 0.776 nan 8.290 nan 0.000 0.558 218 V N -0.284 119.761 119.914 0.219 0.000 3.078 218 V HA 0.994 5.114 4.120 -0.000 0.000 0.311 218 V C -0.264 176.016 176.094 0.310 0.000 1.138 218 V CA -0.868 61.550 62.300 0.197 0.000 1.007 218 V CB 1.626 33.505 31.823 0.094 0.000 1.045 218 V HN 1.463 nan 8.190 nan 0.000 0.432 219 S N 1.114 116.998 115.700 0.305 0.000 2.547 219 S HA 0.762 5.232 4.470 -0.000 0.000 0.270 219 S C -1.860 172.960 174.600 0.367 0.000 1.150 219 S CA -0.709 57.609 58.200 0.196 0.000 0.850 219 S CB 1.523 64.737 63.200 0.025 0.000 1.118 219 S HN 0.880 nan 8.310 nan 0.000 0.461 220 Y N 0.624 121.057 120.300 0.222 0.000 2.328 220 Y HA 0.779 5.329 4.550 -0.000 0.000 0.337 220 Y C 0.026 176.156 175.900 0.383 0.000 1.008 220 Y CA -1.536 56.795 58.100 0.386 0.000 1.129 220 Y CB 1.431 40.165 38.460 0.456 0.000 1.185 220 Y HN 0.668 nan 8.280 nan 0.000 0.476 221 V N 2.548 122.820 119.914 0.597 0.000 2.971 221 V HA 0.808 4.928 4.120 -0.000 0.000 0.309 221 V C -0.611 175.709 176.094 0.376 0.000 1.130 221 V CA -0.714 61.864 62.300 0.463 0.000 0.964 221 V CB 2.346 34.378 31.823 0.348 0.000 1.029 221 V HN 0.856 nan 8.190 nan 0.000 0.427 222 S N 1.136 117.003 115.700 0.279 0.000 2.655 222 S HA 0.365 4.835 4.470 -0.000 0.000 0.266 222 S C 0.012 174.648 174.600 0.059 0.000 1.149 222 S CA -0.408 57.819 58.200 0.045 0.000 0.818 222 S CB 1.560 64.601 63.200 -0.266 0.000 1.130 222 S HN 0.503 nan 8.310 nan 0.000 0.476 223 D N 1.708 122.097 120.400 -0.018 0.000 2.172 223 D HA -0.089 4.551 4.640 -0.000 0.000 0.196 223 D C 1.988 178.311 176.300 0.038 0.000 0.999 223 D CA 2.388 56.389 54.000 0.001 0.000 0.856 223 D CB -0.291 40.491 40.800 -0.030 0.000 0.934 223 D HN 0.642 nan 8.370 nan 0.000 0.453 224 S N -1.786 113.949 115.700 0.059 0.000 2.497 224 S HA 0.080 4.550 4.470 -0.000 0.000 0.218 224 S C 0.403 175.149 174.600 0.242 0.000 1.023 224 S CA -0.602 57.670 58.200 0.120 0.000 0.913 224 S CB 0.186 63.450 63.200 0.106 0.000 0.800 224 S HN 0.119 nan 8.310 nan 0.000 0.505 225 F N 1.522 121.554 119.950 0.137 0.000 2.495 225 F HA 0.692 5.219 4.527 -0.000 0.000 0.327 225 F C -1.179 174.802 175.800 0.302 0.000 1.103 225 F CA -1.541 56.610 58.000 0.251 0.000 0.949 225 F CB 1.716 40.962 39.000 0.411 0.000 1.142 225 F HN 0.190 nan 8.300 nan 0.000 0.457 226 Y N 6.585 126.533 120.300 -0.586 0.000 2.396 226 Y HA 0.503 5.053 4.550 -0.000 0.000 0.332 226 Y C -2.243 173.298 175.900 -0.598 0.000 1.034 226 Y CA -0.992 56.862 58.100 -0.410 0.000 1.057 226 Y CB 1.125 39.474 38.460 -0.185 0.000 1.220 226 Y HN 0.647 nan 8.280 nan 0.000 0.440 227 Y N 4.212 123.815 120.300 -1.163 0.000 2.470 227 Y HA 0.776 5.326 4.550 -0.000 0.000 0.341 227 Y C -0.487 174.618 175.900 -1.324 0.000 1.021 227 Y CA -0.419 57.047 58.100 -1.056 0.000 1.025 227 Y CB 2.355 40.393 38.460 -0.703 0.000 1.266 227 Y HN 0.843 nan 8.280 nan 0.000 0.448 228 G N 2.529 110.601 108.800 -1.213 0.000 2.608 228 G HA2 0.445 4.405 3.960 -0.000 0.000 0.291 228 G HA3 0.445 4.405 3.960 -0.000 0.000 0.291 228 G C -2.794 172.009 174.900 -0.161 0.000 1.425 228 G CA -0.753 44.021 45.100 -0.543 0.000 0.787 228 G HN 0.593 nan 8.290 nan 0.000 0.484 229 Y N -0.142 120.146 120.300 -0.020 0.000 2.513 229 Y HA 0.723 5.273 4.550 -0.000 0.000 0.340 229 Y C -2.105 173.808 175.900 0.021 0.000 1.055 229 Y CA -1.326 56.673 58.100 -0.168 0.000 1.020 229 Y CB 2.322 40.374 38.460 -0.679 0.000 1.301 229 Y HN 0.815 nan 8.280 nan 0.000 0.453 230 Y N 4.933 124.683 120.300 -0.916 0.000 2.479 230 Y HA 0.562 5.112 4.550 -0.000 0.000 0.338 230 Y C -2.066 173.411 175.900 -0.706 0.000 1.055 230 Y CA -0.694 57.072 58.100 -0.557 0.000 1.023 230 Y CB 1.641 39.959 38.460 -0.236 0.000 1.287 230 Y HN 0.733 nan 8.280 nan 0.000 0.447 231 D N 3.862 123.704 120.400 -0.930 0.000 2.861 231 D HA 0.541 5.181 4.640 -0.000 0.000 0.216 231 D C -1.136 174.886 176.300 -0.463 0.000 1.323 231 D CA 0.097 53.796 54.000 -0.502 0.000 0.917 231 D CB 1.915 42.586 40.800 -0.214 0.000 1.582 231 D HN 0.681 nan 8.370 nan 0.000 0.576 232 A N 2.489 125.146 122.820 -0.273 0.000 2.589 232 A HA 0.292 4.612 4.320 -0.000 0.000 0.283 232 A C 0.391 177.982 177.584 0.012 0.000 1.187 232 A CA -0.166 51.809 52.037 -0.105 0.000 0.957 232 A CB 0.152 19.148 19.000 -0.006 0.000 1.175 232 A HN 0.363 nan 8.150 nan 0.000 0.532 233 T N 4.174 118.740 114.554 0.020 0.000 2.779 233 T HA 0.394 4.744 4.350 -0.000 0.000 0.296 233 T C -2.181 172.551 174.700 0.053 0.000 0.938 233 T CA -0.533 61.592 62.100 0.041 0.000 1.119 233 T CB 1.001 69.893 68.868 0.041 0.000 0.891 233 T HN 0.349 nan 8.240 nan 0.000 0.526 241 S N 2.353 117.844 115.700 -0.348 0.000 2.566 241 S HA 0.519 4.988 4.470 -0.000 0.000 0.273 241 S C -1.919 172.446 174.600 -0.393 0.000 1.157 241 S CA -0.633 57.435 58.200 -0.220 0.000 0.938 241 S CB 0.825 64.008 63.200 -0.027 0.000 1.087 241 S HN 0.463 nan 8.310 nan 0.000 0.474 242 H N 2.224 121.388 119.070 0.156 0.000 2.771 242 H HA 0.390 4.945 4.556 -0.000 0.000 0.361 242 H C -1.427 173.887 175.328 -0.023 0.000 1.108 242 H CA -0.716 55.319 56.048 -0.022 0.000 1.201 242 H CB 1.625 31.253 29.762 -0.223 0.000 1.681 242 H HN 0.521 nan 8.280 nan 0.000 0.534 243 D N 1.594 121.914 120.400 -0.133 0.000 2.177 243 D HA 0.061 4.700 4.640 -0.000 0.000 0.247 243 D C -0.253 175.900 176.300 -0.245 0.000 1.063 243 D CA -0.332 53.593 54.000 -0.124 0.000 0.867 243 D CB 1.520 42.166 40.800 -0.257 0.000 1.168 243 D HN 0.447 nan 8.370 nan 0.000 0.445 244 Y N 2.282 122.475 120.300 -0.179 0.000 2.584 244 Y HA 0.258 4.808 4.550 -0.000 0.000 0.351 244 Y C -0.550 175.053 175.900 -0.495 0.000 1.030 244 Y CA 0.006 57.928 58.100 -0.296 0.000 1.332 244 Y CB 0.274 38.780 38.460 0.077 0.000 1.148 244 Y HN 0.032 nan 8.280 nan 0.000 0.528 245 V N 5.456 124.889 119.914 -0.802 0.000 2.715 245 V HA 0.463 4.583 4.120 -0.000 0.000 0.310 245 V C -0.545 174.999 176.094 -0.916 0.000 1.054 245 V CA -0.893 60.920 62.300 -0.812 0.000 0.928 245 V CB 1.603 32.870 31.823 -0.927 0.000 1.007 245 V HN 0.824 nan 8.190 nan 0.000 0.437 246 c N 2.092 120.345 118.600 -0.578 0.000 2.712 246 c HA 0.643 5.213 4.570 -0.000 0.000 0.308 246 c C -0.863 173.015 174.090 -0.354 0.000 1.201 246 c CA -0.915 55.101 56.329 -0.521 0.000 1.554 246 c CB 1.799 43.983 42.510 -0.543 0.000 2.117 246 c HN 0.853 nan 8.230 nan 0.000 0.480 247 D N 0.215 120.442 120.400 -0.287 0.000 2.342 247 D HA 0.405 5.045 4.640 -0.000 0.000 0.243 247 D C -1.419 174.609 176.300 -0.453 0.000 1.019 247 D CA -0.154 53.736 54.000 -0.185 0.000 0.864 247 D CB 1.587 42.395 40.800 0.015 0.000 1.315 247 D HN 0.500 nan 8.370 nan 0.000 0.468 248 Y N 0.795 121.114 120.300 0.032 0.000 2.342 248 Y HA 0.378 4.927 4.550 -0.000 0.000 0.338 248 Y C 0.148 176.046 175.900 -0.003 0.000 0.965 248 Y CA -0.657 57.473 58.100 0.049 0.000 1.159 248 Y CB 1.083 39.597 38.460 0.089 0.000 1.157 248 Y HN 0.020 nan 8.280 nan 0.000 0.486 249 L N 4.224 125.494 121.223 0.077 0.000 2.317 249 L HA 0.397 4.736 4.340 -0.000 0.000 0.281 249 L C -0.447 176.488 176.870 0.108 0.000 1.024 249 L CA -0.901 53.965 54.840 0.043 0.000 0.810 249 L CB 1.389 43.440 42.059 -0.014 0.000 1.240 249 L HN 0.544 nan 8.230 nan 0.000 0.427 250 F N 4.591 124.547 119.950 0.010 0.000 2.502 250 F HA 0.383 4.910 4.527 -0.000 0.000 0.371 250 F C -0.203 175.586 175.800 -0.019 0.000 1.083 250 F CA 0.044 58.052 58.000 0.013 0.000 1.174 250 F CB 0.309 39.326 39.000 0.029 0.000 1.096 250 F HN 0.375 nan 8.300 nan 0.000 0.545 251 M N 5.751 125.098 119.600 -0.423 0.000 2.327 251 M HA 0.281 4.761 4.480 -0.000 0.000 0.298 251 M C -0.534 175.508 176.300 -0.431 0.000 1.065 251 M CA -0.687 54.337 55.300 -0.459 0.000 0.916 251 M CB 2.340 34.540 32.600 -0.666 0.000 1.630 251 M HN 0.540 nan 8.290 nan 0.000 0.442 252 E N 3.883 123.983 120.200 -0.166 0.000 2.404 252 E HA 0.190 4.540 4.350 -0.000 0.000 0.261 252 E C -2.213 174.458 176.600 0.119 0.000 1.074 252 E CA -1.520 54.870 56.400 -0.016 0.000 0.917 252 E CB 0.222 30.000 29.700 0.130 0.000 0.965 252 E HN 0.291 nan 8.360 nan 0.000 0.433 253 P HA 0.087 nan 4.420 nan 0.000 0.268 253 P C -0.155 177.223 177.300 0.130 0.000 1.205 253 P CA 0.175 63.387 63.100 0.186 0.000 0.771 253 P CB 0.964 32.769 31.700 0.175 0.000 0.858 254 G N 0.722 109.586 108.800 0.107 0.000 2.341 254 G HA2 0.200 4.159 3.960 -0.000 0.000 0.293 254 G HA3 0.200 4.159 3.960 -0.000 0.000 0.293 254 G C -1.565 173.292 174.900 -0.072 0.000 1.298 254 G CA -0.592 44.491 45.100 -0.027 0.000 0.868 254 G HN 0.428 nan 8.290 nan 0.000 0.540 255 T N 1.158 115.560 114.554 -0.253 0.000 2.733 255 T HA 0.639 4.989 4.350 -0.000 0.000 0.294 255 T C -1.035 173.383 174.700 -0.470 0.000 0.956 255 T CA 0.277 62.207 62.100 -0.285 0.000 0.987 255 T CB 0.127 68.868 68.868 -0.211 0.000 0.920 255 T HN 0.346 nan 8.240 nan 0.000 0.470 256 Y N 2.150 122.036 120.300 -0.691 0.000 2.524 256 Y HA 0.477 5.027 4.550 -0.000 0.000 0.344 256 Y C 0.577 176.153 175.900 -0.539 0.000 1.012 256 Y CA -1.389 56.331 58.100 -0.633 0.000 1.068 256 Y CB 1.479 39.433 38.460 -0.843 0.000 1.249 256 Y HN 0.395 nan 8.280 nan 0.000 0.468 257 N N 1.135 119.849 118.700 0.023 0.000 2.438 257 N HA 0.501 5.240 4.740 -0.000 0.000 0.282 257 N C -1.045 174.712 175.510 0.413 0.000 1.037 257 N CA -0.419 52.729 53.050 0.164 0.000 0.942 257 N CB 1.564 40.128 38.487 0.129 0.000 1.136 257 N HN 0.734 nan 8.380 nan 0.000 0.481 258 A N 1.852 124.965 122.820 0.489 0.000 2.366 258 A HA 0.481 4.801 4.320 -0.000 0.000 0.322 258 A C -0.107 177.685 177.584 0.347 0.000 1.397 258 A CA -0.391 51.963 52.037 0.527 0.000 0.984 258 A CB -0.088 19.180 19.000 0.446 0.000 1.149 258 A HN 0.503 nan 8.150 nan 0.000 0.540 259 S N 0.841 116.740 115.700 0.331 0.000 2.608 259 S HA 0.764 5.234 4.470 -0.000 0.000 0.291 259 S C 0.156 174.869 174.600 0.189 0.000 1.146 259 S CA -0.432 57.903 58.200 0.225 0.000 1.043 259 S CB 1.667 64.995 63.200 0.214 0.000 1.037 259 S HN 0.795 nan 8.310 nan 0.000 0.520 260 T N -0.047 114.585 114.554 0.130 0.000 2.896 260 T HA 0.380 4.730 4.350 -0.000 0.000 0.297 260 T C 0.962 175.711 174.700 0.082 0.000 1.108 260 T CA -0.588 61.566 62.100 0.089 0.000 1.004 260 T CB 1.162 70.048 68.868 0.031 0.000 1.159 260 T HN 0.442 nan 8.240 nan 0.000 0.499 261 V N 0.479 120.448 119.914 0.091 0.000 3.041 261 V HA 0.605 4.725 4.120 -0.000 0.000 0.260 261 V C 0.971 177.088 176.094 0.039 0.000 1.105 261 V CA 1.058 63.418 62.300 0.100 0.000 1.125 261 V CB -1.115 30.827 31.823 0.198 0.000 0.730 261 V HN 1.295 nan 8.190 nan 0.000 0.479 262 G N -0.811 107.980 108.800 -0.014 0.000 2.337 262 G HA2 0.403 4.362 3.960 -0.000 0.000 0.310 262 G HA3 0.403 4.362 3.960 -0.000 0.000 0.310 262 G C -0.290 174.474 174.900 -0.226 0.000 1.534 262 G CA 0.363 45.413 45.100 -0.083 0.000 0.982 262 G HN 0.552 nan 8.290 nan 0.000 0.672 263 K N -1.306 118.915 120.400 -0.298 0.000 10.883 263 K HA -0.262 4.058 4.320 -0.000 0.000 0.526 263 K C 0.310 176.561 176.600 -0.582 0.000 0.382 263 K CA 2.762 58.714 56.287 -0.558 0.000 1.943 263 K CB -2.014 29.911 32.500 -0.959 0.000 0.766 263 K HN 1.065 nan 8.250 nan 0.000 1.214 264 F N 1.332 121.105 119.950 -0.295 0.000 2.396 264 F HA 0.509 5.036 4.527 -0.000 0.000 0.343 264 F C 0.455 176.094 175.800 -0.268 0.000 1.104 264 F CA -0.767 56.999 58.000 -0.389 0.000 1.161 264 F CB 0.911 39.402 39.000 -0.849 0.000 1.146 264 F HN 0.162 nan 8.300 nan 0.000 0.522 265 L N 4.150 125.374 121.223 0.003 0.000 2.356 265 L HA 0.723 5.063 4.340 -0.000 0.000 0.277 265 L C -1.237 175.648 176.870 0.025 0.000 0.996 265 L CA -0.537 54.334 54.840 0.052 0.000 0.822 265 L CB 1.780 43.909 42.059 0.116 0.000 1.256 265 L HN 0.405 nan 8.230 nan 0.000 0.413 266 V N 6.183 126.128 119.914 0.052 0.000 2.409 266 V HA 0.502 4.621 4.120 -0.000 0.000 0.290 266 V C -1.152 175.027 176.094 0.142 0.000 1.017 266 V CA -0.508 61.782 62.300 -0.017 0.000 0.841 266 V CB 1.113 32.875 31.823 -0.102 0.000 1.003 266 V HN 0.691 nan 8.190 nan 0.000 0.426 267 Y N 4.648 124.936 120.300 -0.021 0.000 2.524 267 Y HA 0.901 5.451 4.550 -0.000 0.000 0.347 267 Y C -3.043 172.670 175.900 -0.312 0.000 1.005 267 Y CA -3.571 54.409 58.100 -0.201 0.000 1.025 267 Y CB 2.029 40.340 38.460 -0.248 0.000 1.275 267 Y HN 0.390 nan 8.280 nan 0.000 0.460 268 P HA 0.166 nan 4.420 nan 0.000 0.279 268 P C 0.193 177.364 177.300 -0.215 0.000 1.239 268 P CA -0.237 62.645 63.100 -0.364 0.000 0.789 268 P CB 1.853 33.233 31.700 -0.533 0.000 0.933 269 T N -0.886 113.569 114.554 -0.166 0.000 3.010 269 T HA 0.271 4.621 4.350 -0.000 0.000 0.257 269 T C 0.382 175.014 174.700 -0.113 0.000 1.020 269 T CA 0.032 62.080 62.100 -0.087 0.000 0.938 269 T CB 0.106 68.930 68.868 -0.073 0.000 1.049 269 T HN 0.336 nan 8.240 nan 0.000 0.522 270 K N 1.253 121.556 120.400 -0.160 0.000 2.508 270 K HA 0.684 5.004 4.320 -0.000 0.000 0.260 270 K C -1.331 175.158 176.600 -0.187 0.000 0.949 270 K CA -0.790 55.392 56.287 -0.175 0.000 0.834 270 K CB 2.461 34.837 32.500 -0.207 0.000 1.365 270 K HN 0.243 nan 8.250 nan 0.000 0.437 271 S N 0.127 115.722 115.700 -0.175 0.000 2.565 271 S HA 0.405 4.875 4.470 -0.000 0.000 0.269 271 S C -1.548 172.972 174.600 -0.133 0.000 1.153 271 S CA -0.923 57.216 58.200 -0.101 0.000 0.835 271 S CB 0.468 63.671 63.200 0.005 0.000 1.122 271 S HN 0.514 nan 8.310 nan 0.000 0.462 272 Y N 1.106 121.455 120.300 0.081 0.000 2.504 272 Y HA 0.388 4.938 4.550 -0.000 0.000 0.351 272 Y C 1.091 177.003 175.900 0.020 0.000 0.988 272 Y CA -0.407 57.734 58.100 0.069 0.000 1.239 272 Y CB 0.571 39.066 38.460 0.059 0.000 1.128 272 Y HN 0.925 nan 8.280 nan 0.000 0.525 273 c N 7.155 125.829 118.600 0.124 0.000 2.514 273 c HA 0.647 5.217 4.570 -0.000 0.000 0.392 273 c C -0.298 173.773 174.090 -0.030 0.000 1.294 273 c CA -0.684 55.580 56.329 -0.109 0.000 1.957 273 c CB -1.394 41.089 42.510 -0.045 0.000 2.541 273 c HN 0.856 nan 8.230 nan 0.000 0.569 274 M N 5.746 125.261 119.600 -0.142 0.000 2.446 274 M HA 0.363 4.843 4.480 -0.000 0.000 0.294 274 M C -0.644 175.625 176.300 -0.052 0.000 1.158 274 M CA -0.469 54.813 55.300 -0.030 0.000 0.899 274 M CB 2.102 34.698 32.600 -0.007 0.000 1.687 274 M HN 0.832 nan 8.290 nan 0.000 0.455 275 D N 0.894 121.302 120.400 0.013 0.000 2.453 275 D HA 0.495 5.135 4.640 -0.000 0.000 0.282 275 D C -0.616 175.705 176.300 0.035 0.000 1.222 275 D CA -0.253 53.758 54.000 0.019 0.000 1.079 275 D CB 0.453 41.276 40.800 0.040 0.000 1.128 275 D HN 0.450 nan 8.370 nan 0.000 0.568 276 T N -0.550 114.029 114.554 0.042 0.000 2.886 276 T HA 0.530 4.880 4.350 -0.000 0.000 0.292 276 T C -0.332 174.393 174.700 0.043 0.000 1.012 276 T CA -0.812 61.318 62.100 0.051 0.000 0.982 276 T CB 1.090 69.993 68.868 0.059 0.000 1.018 276 T HN 0.536 nan 8.240 nan 0.000 0.451 277 M N 1.553 121.176 119.600 0.039 0.000 2.664 277 M HA 0.660 5.140 4.480 -0.000 0.000 0.314 277 M C -0.139 176.177 176.300 0.027 0.000 1.200 277 M CA -0.822 54.495 55.300 0.029 0.000 0.916 277 M CB 1.438 34.049 32.600 0.019 0.000 1.717 277 M HN 0.114 nan 8.290 nan 0.000 0.470 278 N N 1.345 120.059 118.700 0.023 0.000 2.467 278 N HA 0.240 4.980 4.740 -0.000 0.000 0.184 278 N C -0.264 175.256 175.510 0.016 0.000 1.106 278 N CA 0.468 53.532 53.050 0.022 0.000 0.892 278 N CB -0.397 38.104 38.487 0.024 0.000 0.969 278 N HN 0.734 nan 8.380 nan 0.000 0.454 279 I N -2.502 118.073 120.570 0.008 0.000 2.465 279 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 279 I C -0.460 175.649 176.117 -0.014 0.000 1.014 279 I CA -0.821 60.478 61.300 -0.002 0.000 1.093 279 I CB 1.967 39.962 38.000 -0.008 0.000 1.267 279 I HN -0.352 nan 8.210 nan 0.000 0.431 280 T N 5.573 120.121 114.554 -0.011 0.000 2.761 280 T HA 0.472 4.822 4.350 -0.000 0.000 0.296 280 T C -0.116 174.549 174.700 -0.059 0.000 0.934 280 T CA -0.234 61.858 62.100 -0.013 0.000 1.091 280 T CB 0.908 69.782 68.868 0.011 0.000 0.896 280 T HN 0.433 nan 8.240 nan 0.000 0.515 281 V N 7.604 127.460 119.914 -0.096 0.000 2.483 281 V HA 0.368 4.488 4.120 -0.000 0.000 0.297 281 V C -2.134 173.878 176.094 -0.137 0.000 1.027 281 V CA -2.202 59.948 62.300 -0.249 0.000 0.855 281 V CB 1.827 33.422 31.823 -0.381 0.000 0.995 281 V HN 0.701 nan 8.190 nan 0.000 0.424 282 P HA 0.123 nan 4.420 nan 0.000 0.268 282 P C -0.049 177.316 177.300 0.108 0.000 1.205 282 P CA 0.289 63.429 63.100 0.066 0.000 0.771 282 P CB 1.124 32.898 31.700 0.123 0.000 0.858 283 V N 1.166 121.167 119.914 0.144 0.000 3.336 283 V HA 0.344 4.464 4.120 -0.000 0.000 0.304 283 V C 0.019 176.206 176.094 0.156 0.000 1.073 283 V CA -0.405 62.027 62.300 0.220 0.000 1.074 283 V CB -0.049 31.979 31.823 0.342 0.000 1.161 283 V HN 0.478 nan 8.190 nan 0.000 0.460 284 Q N 0.850 120.801 119.800 0.252 0.000 2.340 284 Q HA 0.778 5.118 4.340 -0.000 0.000 0.268 284 Q C -0.756 175.391 176.000 0.246 0.000 1.031 284 Q CA -0.542 55.380 55.803 0.199 0.000 0.804 284 Q CB 2.146 31.092 28.738 0.346 0.000 1.286 284 Q HN 1.179 nan 8.270 nan 0.000 0.448 285 A N 2.043 124.929 122.820 0.111 0.000 2.355 285 A HA 0.720 5.040 4.320 -0.000 0.000 0.317 285 A C -0.923 176.821 177.584 0.266 0.000 1.094 285 A CA -0.574 51.587 52.037 0.208 0.000 0.764 285 A CB 1.355 20.357 19.000 0.004 0.000 1.230 285 A HN 0.482 nan 8.150 nan 0.000 0.448 286 V N 2.639 122.755 119.914 0.337 0.000 2.435 286 V HA 0.301 4.421 4.120 -0.000 0.000 0.290 286 V C 0.322 176.616 176.094 0.333 0.000 1.030 286 V CA -0.634 61.809 62.300 0.239 0.000 0.881 286 V CB 1.527 33.455 31.823 0.175 0.000 0.983 286 V HN 1.044 nan 8.190 nan 0.000 0.445 287 Q N 3.091 122.982 119.800 0.153 0.000 2.310 287 Q HA 0.013 4.353 4.340 -0.000 0.000 0.315 287 Q C -0.042 176.146 176.000 0.315 0.000 1.081 287 Q CA 0.943 56.915 55.803 0.282 0.000 0.981 287 Q CB 0.627 29.478 28.738 0.188 0.000 1.184 287 Q HN 0.841 nan 8.270 nan 0.000 0.389 288 S N 5.577 121.376 115.700 0.165 0.000 2.653 288 S HA 0.659 5.128 4.470 -0.000 0.000 0.272 288 S C -0.756 173.764 174.600 -0.134 0.000 1.221 288 S CA -0.753 57.418 58.200 -0.049 0.000 1.149 288 S CB -0.587 62.492 63.200 -0.201 0.000 1.029 288 S HN 0.575 nan 8.310 nan 0.000 0.481 289 I N 0.328 120.827 120.570 -0.119 0.000 3.264 289 I HA 0.795 4.965 4.170 -0.000 0.000 0.315 289 I C -1.028 174.910 176.117 -0.300 0.000 1.154 289 I CA -1.680 59.516 61.300 -0.173 0.000 0.962 289 I CB 1.283 39.322 38.000 0.064 0.000 1.265 289 I HN 0.499 nan 8.210 nan 0.000 0.463 290 W N 1.237 122.515 121.300 -0.037 0.000 2.298 290 W HA 0.570 5.230 4.660 -0.000 0.000 0.358 290 W C 0.762 177.301 176.519 0.034 0.000 1.241 290 W CA -0.566 56.722 57.345 -0.094 0.000 1.385 290 W CB 1.115 30.588 29.460 0.021 0.000 1.225 290 W HN 0.641 nan 8.180 nan 0.000 0.654 291 S N -0.152 115.762 115.700 0.357 0.000 2.572 291 S HA -0.062 4.407 4.470 -0.000 0.000 0.267 291 S C 0.767 175.527 174.600 0.266 0.000 1.361 291 S CA -0.161 58.235 58.200 0.327 0.000 1.009 291 S CB 0.659 64.043 63.200 0.307 0.000 0.888 291 S HN 0.659 nan 8.310 nan 0.000 0.553 292 E N 1.016 121.318 120.200 0.170 0.000 2.219 292 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 292 E C 2.286 178.896 176.600 0.016 0.000 0.998 292 E CA 1.515 57.975 56.400 0.099 0.000 0.818 292 E CB -0.197 29.543 29.700 0.067 0.000 0.741 292 E HN 0.846 nan 8.360 nan 0.000 0.477 293 Q N -0.140 119.605 119.800 -0.092 0.000 2.369 293 Q HA -0.097 4.243 4.340 -0.000 0.000 0.206 293 Q C -0.025 175.653 176.000 -0.537 0.000 0.963 293 Q CA 0.774 56.371 55.803 -0.343 0.000 0.894 293 Q CB 0.006 28.445 28.738 -0.499 0.000 0.965 293 Q HN 0.297 nan 8.270 nan 0.000 0.475 294 Y N 0.340 120.622 120.300 -0.030 0.000 2.528 294 Y HA 0.614 5.164 4.550 -0.000 0.000 0.335 294 Y C 0.006 175.939 175.900 0.056 0.000 1.093 294 Y CA -1.229 56.811 58.100 -0.100 0.000 1.134 294 Y CB 1.382 39.601 38.460 -0.402 0.000 1.253 294 Y HN 0.020 nan 8.280 nan 0.000 0.478 295 A N 1.626 124.579 122.820 0.220 0.000 2.276 295 A HA 0.645 4.965 4.320 -0.000 0.000 0.300 295 A C -0.393 177.398 177.584 0.345 0.000 1.235 295 A CA -0.317 51.851 52.037 0.219 0.000 0.867 295 A CB -0.022 19.059 19.000 0.135 0.000 1.137 295 A HN 0.682 nan 8.150 nan 0.000 0.527 296 S N 0.890 116.764 115.700 0.290 0.000 2.786 296 S HA 0.718 5.188 4.470 -0.000 0.000 0.307 296 S C -0.440 174.257 174.600 0.163 0.000 1.121 296 S CA -0.386 57.959 58.200 0.242 0.000 0.975 296 S CB 1.311 64.620 63.200 0.182 0.000 1.220 296 S HN 0.913 nan 8.310 nan 0.000 0.550 297 D N -1.281 119.191 120.400 0.121 0.000 2.732 297 D HA 0.486 5.126 4.640 -0.000 0.000 0.292 297 D C -1.183 175.161 176.300 0.074 0.000 1.135 297 D CA -0.545 53.517 54.000 0.103 0.000 1.071 297 D CB 0.519 41.391 40.800 0.120 0.000 1.457 297 D HN 0.293 nan 8.370 nan 0.000 0.547 298 D N -1.612 118.819 120.400 0.052 0.000 2.788 298 D HA 0.413 5.052 4.640 -0.000 0.000 0.289 298 D C 1.009 177.288 176.300 -0.035 0.000 1.340 298 D CA -0.188 53.822 54.000 0.017 0.000 0.831 298 D CB 0.344 41.152 40.800 0.013 0.000 1.103 298 D HN 0.458 nan 8.370 nan 0.000 0.476 299 A N 0.372 123.182 122.820 -0.017 0.000 1.902 299 A HA -0.130 4.189 4.320 -0.000 0.000 0.217 299 A C 1.956 179.486 177.584 -0.091 0.000 1.181 299 A CA 0.825 52.841 52.037 -0.036 0.000 0.623 299 A CB -0.299 18.700 19.000 -0.001 0.000 0.818 299 A HN 0.352 nan 8.150 nan 0.000 0.443 300 I N 0.120 120.613 120.570 -0.128 0.000 2.179 300 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 300 I C 2.721 178.662 176.117 -0.294 0.000 1.088 300 I CA 1.560 62.776 61.300 -0.141 0.000 1.357 300 I CB -2.076 35.900 38.000 -0.041 0.000 1.051 300 I HN 0.338 nan 8.210 nan 0.000 0.409 301 G N 0.259 108.740 108.800 -0.533 0.000 2.432 301 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 301 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 301 G C 1.523 176.023 174.900 -0.667 0.000 1.135 301 G CA 0.363 44.707 45.100 -1.259 0.000 0.767 301 G HN 0.344 nan 8.290 nan 0.000 0.550 302 Q N 0.195 119.806 119.800 -0.315 0.000 2.212 302 Q HA 0.206 4.546 4.340 -0.000 0.000 0.199 302 Q C 2.799 178.742 176.000 -0.095 0.000 0.950 302 Q CA 1.082 56.783 55.803 -0.171 0.000 0.863 302 Q CB -0.366 28.319 28.738 -0.089 0.000 0.944 302 Q HN 0.458 nan 8.270 nan 0.000 0.465 303 A N -0.025 122.763 122.820 -0.053 0.000 1.930 303 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 303 A C 1.313 179.055 177.584 0.262 0.000 1.176 303 A CA 0.477 52.571 52.037 0.096 0.000 0.632 303 A CB -0.386 18.647 19.000 0.054 0.000 0.819 303 A HN 0.393 nan 8.150 nan 0.000 0.445 304 c N 2.288 120.935 118.600 0.080 0.000 2.311 304 c HA 0.525 5.095 4.570 -0.000 0.000 0.357 304 c C 0.135 174.060 174.090 -0.274 0.000 1.086 304 c CA -0.621 55.649 56.329 -0.098 0.000 1.486 304 c CB -2.348 40.038 42.510 -0.207 0.000 1.974 304 c HN 0.400 nan 8.230 nan 0.000 0.508 305 K N 3.662 123.772 120.400 -0.483 0.000 2.443 305 K HA 0.682 5.002 4.320 -0.000 0.000 0.251 305 K C -0.281 175.855 176.600 -0.773 0.000 0.972 305 K CA -0.563 55.420 56.287 -0.507 0.000 0.833 305 K CB 1.888 34.206 32.500 -0.303 0.000 1.317 305 K HN 0.579 nan 8.250 nan 0.000 0.441 306 A N 2.023 124.604 122.820 -0.399 0.000 2.483 306 A HA 0.165 4.484 4.320 -0.000 0.000 0.238 306 A C -1.595 175.834 177.584 -0.258 0.000 1.070 306 A CA -0.491 51.376 52.037 -0.283 0.000 0.770 306 A CB -0.349 18.579 19.000 -0.121 0.000 1.008 306 A HN 0.557 nan 8.150 nan 0.000 0.497 307 P HA 0.098 nan 4.420 nan 0.000 0.268 307 P C 0.052 177.361 177.300 0.014 0.000 1.329 307 P CA 0.589 63.673 63.100 -0.026 0.000 0.899 307 P CB -0.114 31.619 31.700 0.055 0.000 1.378 308 Y N -2.320 117.989 120.300 0.015 0.000 2.458 308 Y HA 0.487 5.037 4.550 -0.000 0.000 0.254 308 Y C 0.610 176.510 175.900 -0.001 0.000 1.120 308 Y CA -1.096 57.013 58.100 0.016 0.000 1.282 308 Y CB -0.581 37.892 38.460 0.021 0.000 1.109 308 Y HN -0.098 nan 8.280 nan 0.000 0.526 309 c N 1.624 120.071 118.600 -0.255 0.000 2.782 309 c HA 0.638 5.208 4.570 -0.000 0.000 0.328 309 c C -0.769 173.190 174.090 -0.218 0.000 1.145 309 c CA -1.283 54.916 56.329 -0.216 0.000 1.358 309 c CB 0.356 42.675 42.510 -0.319 0.000 1.841 309 c HN 0.349 nan 8.230 nan 0.000 0.477 310 I N 5.522 125.993 120.570 -0.166 0.000 2.307 310 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 310 I C -0.484 175.410 176.117 -0.371 0.000 1.021 310 I CA -0.165 60.982 61.300 -0.254 0.000 1.224 310 I CB 0.669 38.513 38.000 -0.260 0.000 1.376 310 I HN 0.517 nan 8.210 nan 0.000 0.470 311 F N 8.035 127.713 119.950 -0.454 0.000 2.405 311 F HA 0.408 4.934 4.527 -0.000 0.000 0.355 311 F C -0.957 174.627 175.800 -0.359 0.000 1.121 311 F CA -0.783 57.015 58.000 -0.337 0.000 1.112 311 F CB 0.464 39.354 39.000 -0.183 0.000 1.126 311 F HN 0.224 nan 8.300 nan 0.000 0.481 312 Y N 5.303 125.253 120.300 -0.584 0.000 2.593 312 Y HA 0.277 4.827 4.550 -0.000 0.000 0.331 312 Y C 0.458 175.876 175.900 -0.803 0.000 0.986 312 Y CA -0.945 56.837 58.100 -0.529 0.000 1.262 312 Y CB 0.034 38.213 38.460 -0.470 0.000 1.098 312 Y HN 0.532 nan 8.280 nan 0.000 0.506 313 N N 2.423 120.733 118.700 -0.650 0.000 2.381 313 N HA 0.187 4.927 4.740 -0.000 0.000 0.254 313 N C -0.588 174.895 175.510 -0.045 0.000 1.264 313 N CA -0.302 52.471 53.050 -0.461 0.000 0.942 313 N CB 0.716 39.130 38.487 -0.122 0.000 1.190 313 N HN 0.469 nan 8.380 nan 0.000 0.495 314 K N -0.330 120.084 120.400 0.024 0.000 2.156 314 K HA 0.192 4.512 4.320 -0.000 0.000 0.271 314 K C 0.742 177.379 176.600 0.061 0.000 0.995 314 K CA -0.339 55.986 56.287 0.064 0.000 0.890 314 K CB 1.008 33.557 32.500 0.082 0.000 1.073 314 K HN 0.668 nan 8.250 nan 0.000 0.454 315 T N -2.423 112.155 114.554 0.040 0.000 3.044 315 T HA -0.054 4.296 4.350 -0.000 0.000 0.255 315 T C 1.115 175.826 174.700 0.019 0.000 1.073 315 T CA 0.266 62.373 62.100 0.012 0.000 1.125 315 T CB -0.077 68.772 68.868 -0.030 0.000 0.908 315 T HN 0.644 nan 8.240 nan 0.000 0.480 316 T N 0.435 115.003 114.554 0.024 0.000 2.936 316 T HA 0.656 5.006 4.350 -0.000 0.000 0.282 316 T C -2.984 171.750 174.700 0.057 0.000 1.003 316 T CA -2.106 60.010 62.100 0.028 0.000 1.005 316 T CB 1.298 70.170 68.868 0.007 0.000 1.097 316 T HN -0.064 nan 8.240 nan 0.000 0.532 317 P HA 0.162 nan 4.420 nan 0.000 0.273 317 P C -1.018 176.367 177.300 0.142 0.000 1.250 317 P CA -0.610 62.563 63.100 0.121 0.000 0.793 317 P CB 0.049 31.817 31.700 0.115 0.000 1.011 318 Y N 0.635 120.992 120.300 0.095 0.000 2.650 318 Y HA 0.137 4.687 4.550 -0.000 0.000 0.342 318 Y C -0.163 175.793 175.900 0.094 0.000 1.110 318 Y CA 1.086 59.245 58.100 0.099 0.000 1.438 318 Y CB -0.310 38.224 38.460 0.124 0.000 1.181 318 Y HN 0.150 nan 8.280 nan 0.000 0.526 319 T N 5.880 120.435 114.554 0.001 0.000 2.890 319 T HA 0.406 4.756 4.350 -0.000 0.000 0.295 319 T C -1.080 173.621 174.700 0.001 0.000 0.993 319 T CA -0.650 61.479 62.100 0.047 0.000 0.979 319 T CB 0.957 69.833 68.868 0.014 0.000 0.967 319 T HN 0.284 nan 8.240 nan 0.000 0.441 320 V N 3.978 123.948 119.914 0.094 0.000 2.378 320 V HA 0.402 4.522 4.120 -0.000 0.000 0.288 320 V C 1.262 177.400 176.094 0.073 0.000 1.016 320 V CA -0.468 61.887 62.300 0.092 0.000 0.840 320 V CB 1.384 33.321 31.823 0.189 0.000 0.994 320 V HN 1.121 nan 8.190 nan 0.000 0.431 321 T N 0.242 114.822 114.554 0.044 0.000 2.969 321 T HA 0.169 4.519 4.350 -0.000 0.000 0.250 321 T C 0.668 175.389 174.700 0.036 0.000 1.021 321 T CA 0.143 62.265 62.100 0.036 0.000 1.003 321 T CB 0.080 68.961 68.868 0.021 0.000 1.040 321 T HN 0.415 nan 8.240 nan 0.000 0.492 322 N N 0.935 119.657 118.700 0.038 0.000 2.726 322 N HA 0.540 5.279 4.740 -0.000 0.000 0.253 322 N C -0.437 175.103 175.510 0.049 0.000 1.530 322 N CA -0.131 52.941 53.050 0.036 0.000 0.772 322 N CB 1.022 39.523 38.487 0.023 0.000 1.220 322 N HN 0.599 nan 8.380 nan 0.000 0.508 323 G N -0.974 107.867 108.800 0.068 0.000 2.682 323 G HA2 0.276 4.236 3.960 -0.000 0.000 0.303 323 G HA3 0.276 4.236 3.960 -0.000 0.000 0.303 323 G C 0.416 175.373 174.900 0.094 0.000 1.341 323 G CA -0.055 45.100 45.100 0.093 0.000 0.784 323 G HN 0.198 nan 8.290 nan 0.000 0.497 324 S N -1.148 114.620 115.700 0.112 0.000 2.406 324 S HA 0.211 4.681 4.470 -0.000 0.000 0.224 324 S C 0.618 175.271 174.600 0.087 0.000 1.030 324 S CA 1.803 60.044 58.200 0.067 0.000 0.958 324 S CB -0.286 62.916 63.200 0.003 0.000 0.811 324 S HN 1.006 nan 8.310 nan 0.000 0.489 325 D N -1.211 119.288 120.400 0.165 0.000 2.768 325 D HA 0.609 5.249 4.640 -0.000 0.000 0.327 325 D C 0.585 177.016 176.300 0.219 0.000 1.302 325 D CA -0.202 53.898 54.000 0.167 0.000 0.897 325 D CB 0.612 41.500 40.800 0.147 0.000 1.420 325 D HN 0.051 nan 8.370 nan 0.000 0.494 326 A N -0.630 122.306 122.820 0.193 0.000 2.131 326 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 326 A C 0.991 178.732 177.584 0.261 0.000 1.158 326 A CA 1.054 53.222 52.037 0.218 0.000 0.665 326 A CB -0.748 18.372 19.000 0.200 0.000 0.795 326 A HN 0.493 nan 8.150 nan 0.000 0.460 327 N N -0.554 118.261 118.700 0.191 0.000 2.282 327 N HA 0.133 4.872 4.740 -0.000 0.000 0.240 327 N C -1.228 174.124 175.510 -0.264 0.000 1.182 327 N CA 0.086 53.071 53.050 -0.108 0.000 0.874 327 N CB 0.368 38.800 38.487 -0.091 0.000 1.126 327 N HN 0.556 nan 8.380 nan 0.000 0.516 328 H N -0.844 118.410 119.070 0.307 0.000 3.172 328 H HA 0.424 4.980 4.556 -0.000 0.000 0.322 328 H C 0.297 175.793 175.328 0.280 0.000 1.003 328 H CA -0.204 56.026 56.048 0.304 0.000 1.466 328 H CB 1.292 31.148 29.762 0.157 0.000 1.673 328 H HN 0.168 nan 8.280 nan 0.000 0.512 329 G N 2.868 111.879 108.800 0.352 0.000 2.338 329 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.115 329 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.115 329 G C -0.611 174.272 174.900 -0.027 0.000 1.053 329 G CA -0.605 44.581 45.100 0.144 0.000 0.733 329 G HN 0.671 nan 8.290 nan 0.000 0.482 330 D N 0.276 120.499 120.400 -0.295 0.000 2.450 330 D HA 0.305 4.944 4.640 -0.000 0.000 0.247 330 D C 1.407 177.544 176.300 -0.272 0.000 1.162 330 D CA 0.148 53.795 54.000 -0.588 0.000 0.879 330 D CB 0.663 40.688 40.800 -1.293 0.000 1.163 330 D HN 0.101 nan 8.370 nan 0.000 0.472 331 D N 3.102 123.395 120.400 -0.179 0.000 2.123 331 D HA -0.191 4.448 4.640 -0.000 0.000 0.196 331 D C 1.425 177.658 176.300 -0.111 0.000 0.992 331 D CA 0.918 54.855 54.000 -0.105 0.000 0.833 331 D CB 0.022 40.784 40.800 -0.064 0.000 0.954 331 D HN 0.733 nan 8.370 nan 0.000 0.455 332 E N 0.560 120.682 120.200 -0.130 0.000 2.072 332 E HA -0.127 4.222 4.350 -0.000 0.000 0.191 332 E C 2.115 178.632 176.600 -0.139 0.000 0.985 332 E CA 0.697 57.033 56.400 -0.106 0.000 0.801 332 E CB 0.247 29.901 29.700 -0.077 0.000 0.750 332 E HN 0.010 nan 8.360 nan 0.000 0.452 333 V N 0.974 120.777 119.914 -0.186 0.000 2.379 333 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 333 V C 2.429 178.391 176.094 -0.220 0.000 1.044 333 V CA 1.749 63.906 62.300 -0.238 0.000 1.036 333 V CB -0.531 31.127 31.823 -0.276 0.000 0.664 333 V HN 0.227 nan 8.190 nan 0.000 0.453 334 R N -0.684 119.719 120.500 -0.162 0.000 2.103 334 R HA -0.248 4.092 4.340 -0.000 0.000 0.242 334 R C 2.295 178.550 176.300 -0.076 0.000 1.142 334 R CA 2.194 58.229 56.100 -0.107 0.000 0.960 334 R CB -0.448 29.810 30.300 -0.070 0.000 0.858 334 R HN 0.412 nan 8.270 nan 0.000 0.439 335 M N 0.280 119.838 119.600 -0.070 0.000 2.086 335 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 335 M C 1.990 178.274 176.300 -0.028 0.000 1.067 335 M CA 1.800 57.089 55.300 -0.019 0.000 1.116 335 M CB -0.070 32.505 32.600 -0.043 0.000 1.348 335 M HN 0.073 nan 8.290 nan 0.000 0.407 336 M N -1.001 118.498 119.600 -0.167 0.000 2.117 336 M HA -0.218 4.261 4.480 -0.000 0.000 0.262 336 M C 1.835 178.021 176.300 -0.191 0.000 1.065 336 M CA 1.382 56.503 55.300 -0.297 0.000 1.114 336 M CB -0.440 31.896 32.600 -0.440 0.000 1.361 336 M HN 0.262 nan 8.290 nan 0.000 0.408 337 M N -0.079 119.420 119.600 -0.168 0.000 2.549 337 M HA -0.117 4.363 4.480 -0.000 0.000 0.260 337 M C 1.835 178.110 176.300 -0.042 0.000 1.076 337 M CA 1.128 56.354 55.300 -0.123 0.000 1.090 337 M CB -1.018 31.499 32.600 -0.139 0.000 1.418 337 M HN 0.290 nan 8.290 nan 0.000 0.486 338 Q N -0.232 119.574 119.800 0.011 0.000 2.297 338 Q HA -0.069 4.270 4.340 -0.000 0.000 0.208 338 Q C 2.130 178.076 176.000 -0.090 0.000 0.981 338 Q CA 1.538 57.334 55.803 -0.012 0.000 0.876 338 Q CB -0.814 27.930 28.738 0.010 0.000 0.921 338 Q HN 0.632 nan 8.270 nan 0.000 0.446 339 G N 0.909 109.720 108.800 0.019 0.000 2.442 339 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.219 339 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.219 339 G C 1.435 176.226 174.900 -0.182 0.000 1.141 339 G CA 0.436 45.490 45.100 -0.076 0.000 0.763 339 G HN 0.321 nan 8.290 nan 0.000 0.554 340 L N 0.018 121.156 121.223 -0.142 0.000 2.465 340 L HA 0.140 4.479 4.340 -0.000 0.000 0.224 340 L C 2.404 179.282 176.870 0.014 0.000 1.145 340 L CA 0.037 54.793 54.840 -0.140 0.000 0.834 340 L CB -0.111 41.897 42.059 -0.085 0.000 0.944 340 L HN 0.192 nan 8.230 nan 0.000 0.451 341 L N -0.751 120.462 121.223 -0.017 0.000 2.478 341 L HA -0.036 4.304 4.340 -0.000 0.000 0.223 341 L C 0.814 177.669 176.870 -0.024 0.000 1.140 341 L CA 0.334 55.190 54.840 0.026 0.000 0.842 341 L CB -0.198 41.847 42.059 -0.023 0.000 0.953 341 L HN 0.169 nan 8.230 nan 0.000 0.452 342 R N 0.307 120.709 120.500 -0.162 0.000 2.474 342 R HA 0.230 4.569 4.340 -0.000 0.000 0.295 342 R C -0.224 175.840 176.300 -0.393 0.000 0.980 342 R CA -0.483 55.479 56.100 -0.230 0.000 0.934 342 R CB 0.668 30.810 30.300 -0.264 0.000 1.101 342 R HN -0.048 nan 8.270 nan 0.000 0.469 343 N N 1.385 119.944 118.700 -0.236 0.000 2.555 343 N HA 0.112 4.852 4.740 -0.000 0.000 0.244 343 N C -0.777 174.608 175.510 -0.208 0.000 1.114 343 N CA 0.173 53.089 53.050 -0.224 0.000 0.963 343 N CB 1.150 39.620 38.487 -0.027 0.000 1.276 343 N HN 0.439 nan 8.380 nan 0.000 0.510 344 S N 0.001 115.527 115.700 -0.290 0.000 2.707 344 S HA 0.351 4.820 4.470 -0.000 0.000 0.276 344 S C 1.148 175.674 174.600 -0.122 0.000 1.179 344 S CA -0.563 57.518 58.200 -0.198 0.000 0.992 344 S CB 1.498 64.557 63.200 -0.234 0.000 1.030 344 S HN 0.416 nan 8.310 nan 0.000 0.554 345 S N -0.444 115.199 115.700 -0.095 0.000 2.524 345 S HA 0.195 4.665 4.470 -0.000 0.000 0.222 345 S C 0.169 174.724 174.600 -0.074 0.000 1.040 345 S CA -0.242 57.922 58.200 -0.059 0.000 0.915 345 S CB 0.394 63.568 63.200 -0.042 0.000 0.831 345 S HN 0.748 nan 8.310 nan 0.000 0.492 346 c N 3.076 121.609 118.600 -0.112 0.000 2.431 346 c HA 0.696 5.265 4.570 -0.000 0.000 0.321 346 c C -1.564 172.396 174.090 -0.217 0.000 1.202 346 c CA -0.954 55.285 56.329 -0.149 0.000 1.398 346 c CB -0.282 42.177 42.510 -0.086 0.000 2.047 346 c HN 0.292 nan 8.230 nan 0.000 0.465 347 I N 6.066 126.394 120.570 -0.403 0.000 2.404 347 I HA 0.663 4.833 4.170 -0.000 0.000 0.293 347 I C 0.386 176.329 176.117 -0.289 0.000 0.992 347 I CA 0.371 61.424 61.300 -0.412 0.000 1.149 347 I CB 1.377 38.928 38.000 -0.749 0.000 1.315 347 I HN 0.948 nan 8.210 nan 0.000 0.446 348 S N 6.090 121.749 115.700 -0.068 0.000 2.615 348 S HA 0.587 5.057 4.470 -0.000 0.000 0.269 348 S C -2.675 171.986 174.600 0.100 0.000 1.161 348 S CA -1.027 57.174 58.200 0.002 0.000 0.817 348 S CB 2.070 65.276 63.200 0.011 0.000 1.131 348 S HN 0.271 nan 8.310 nan 0.000 0.467 349 P HA 0.006 nan 4.420 nan 0.000 0.222 349 P C 0.847 178.312 177.300 0.276 0.000 1.147 349 P CA 1.125 64.251 63.100 0.043 0.000 0.790 349 P CB 0.002 31.710 31.700 0.014 0.000 0.780 350 Q N -1.083 118.857 119.800 0.234 0.000 2.432 350 Q HA 0.292 4.632 4.340 -0.000 0.000 0.205 350 Q C 1.254 177.426 176.000 0.286 0.000 0.945 350 Q CA 0.848 56.792 55.803 0.234 0.000 0.924 350 Q CB -0.276 28.539 28.738 0.127 0.000 1.016 350 Q HN 0.227 nan 8.270 nan 0.000 0.503 351 G N -0.568 108.391 108.800 0.264 0.000 2.306 351 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.262 351 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.262 351 G C -0.882 174.045 174.900 0.045 0.000 1.263 351 G CA -0.465 44.705 45.100 0.115 0.000 1.088 351 G HN 0.387 nan 8.290 nan 0.000 0.489 352 S N -1.056 114.644 115.700 -0.000 0.000 2.608 352 S HA 0.879 5.349 4.470 -0.000 0.000 0.291 352 S C 0.108 174.699 174.600 -0.015 0.000 1.146 352 S CA 0.753 58.925 58.200 -0.045 0.000 1.043 352 S CB 1.867 65.005 63.200 -0.104 0.000 1.037 352 S HN 2.305 nan 8.310 nan 0.000 0.520 353 T N -1.007 113.519 114.554 -0.047 0.000 2.896 353 T HA 0.748 5.098 4.350 -0.000 0.000 0.297 353 T C -3.139 171.524 174.700 -0.062 0.000 1.108 353 T CA -2.010 60.070 62.100 -0.034 0.000 1.004 353 T CB 1.649 70.510 68.868 -0.012 0.000 1.159 353 T HN 0.501 nan 8.240 nan 0.000 0.499 354 P HA 0.301 nan 4.420 nan 0.000 0.289 354 P C -0.372 176.900 177.300 -0.048 0.000 1.299 354 P CA -0.768 62.297 63.100 -0.059 0.000 0.766 354 P CB 0.422 32.090 31.700 -0.054 0.000 1.226 355 L N -0.069 121.126 121.223 -0.046 0.000 2.433 355 L HA 0.450 4.790 4.340 -0.000 0.000 0.275 355 L C -0.266 176.571 176.870 -0.055 0.000 1.128 355 L CA 0.369 55.181 54.840 -0.047 0.000 0.875 355 L CB -1.260 40.774 42.059 -0.041 0.000 1.171 355 L HN 0.550 nan 8.230 nan 0.000 0.463 356 A N 4.730 127.510 122.820 -0.067 0.000 2.604 356 A HA 0.464 4.784 4.320 -0.000 0.000 0.295 356 A C 0.357 177.847 177.584 -0.156 0.000 1.067 356 A CA -0.664 51.320 52.037 -0.088 0.000 0.683 356 A CB 0.799 19.774 19.000 -0.042 0.000 1.281 356 A HN 0.684 nan 8.150 nan 0.000 0.407 357 L N -0.233 120.819 121.223 -0.285 0.000 2.027 357 L HA -0.019 4.321 4.340 -0.000 0.000 0.206 357 L C 0.143 176.660 176.870 -0.588 0.000 1.074 357 L CA 1.469 55.944 54.840 -0.607 0.000 0.745 357 L CB -0.372 41.056 42.059 -1.052 0.000 0.898 357 L HN 0.721 nan 8.230 nan 0.000 0.433 358 Y N -1.906 118.381 120.300 -0.020 0.000 2.524 358 Y HA 0.412 4.962 4.550 -0.000 0.000 0.344 358 Y C 0.086 176.048 175.900 0.104 0.000 1.012 358 Y CA -0.835 57.300 58.100 0.059 0.000 1.068 358 Y CB 1.935 40.438 38.460 0.072 0.000 1.249 358 Y HN -0.266 nan 8.280 nan 0.000 0.468 359 S N -0.228 115.701 115.700 0.382 0.000 2.503 359 S HA 0.241 4.711 4.470 -0.000 0.000 0.301 359 S C 0.716 175.590 174.600 0.456 0.000 1.087 359 S CA -0.310 58.075 58.200 0.309 0.000 1.042 359 S CB 0.962 64.307 63.200 0.241 0.000 1.043 359 S HN 0.819 nan 8.310 nan 0.000 0.489 360 T N 0.627 115.363 114.554 0.305 0.000 3.085 360 T HA 0.150 4.500 4.350 -0.000 0.000 0.263 360 T C 0.399 175.358 174.700 0.432 0.000 1.127 360 T CA 0.419 62.730 62.100 0.351 0.000 1.103 360 T CB -0.481 68.459 68.868 0.121 0.000 0.921 360 T HN 0.786 nan 8.240 nan 0.000 0.510 361 E N 0.109 120.427 120.200 0.196 0.000 2.416 361 E HA 0.572 4.921 4.350 -0.000 0.000 0.273 361 E C -0.949 175.380 176.600 -0.451 0.000 0.935 361 E CA -1.435 54.843 56.400 -0.203 0.000 0.784 361 E CB 1.196 30.831 29.700 -0.108 0.000 1.301 361 E HN 0.057 nan 8.360 nan 0.000 0.454 362 M N 1.866 120.926 119.600 -0.899 0.000 2.252 362 M HA 0.196 4.676 4.480 -0.000 0.000 0.348 362 M C -1.129 174.860 176.300 -0.518 0.000 1.334 362 M CA 0.467 55.317 55.300 -0.749 0.000 1.071 362 M CB 0.160 32.227 32.600 -0.889 0.000 1.763 362 M HN 0.507 nan 8.290 nan 0.000 0.452 363 I N 6.025 126.364 120.570 -0.385 0.000 2.321 363 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 363 I C -0.903 175.026 176.117 -0.313 0.000 0.998 363 I CA -0.621 60.546 61.300 -0.222 0.000 1.227 363 I CB 0.600 38.555 38.000 -0.076 0.000 1.368 363 I HN 0.633 nan 8.210 nan 0.000 0.466 364 Y N 4.336 124.620 120.300 -0.026 0.000 2.496 364 Y HA 0.368 4.917 4.550 -0.000 0.000 0.325 364 Y C 0.669 176.560 175.900 -0.016 0.000 1.271 364 Y CA -0.673 57.412 58.100 -0.025 0.000 1.368 364 Y CB 0.774 39.212 38.460 -0.036 0.000 1.415 364 Y HN 0.410 nan 8.280 nan 0.000 0.527 365 E N 1.491 121.798 120.200 0.178 0.000 2.248 365 E HA 0.322 4.672 4.350 -0.000 0.000 0.272 365 E C -2.548 174.080 176.600 0.046 0.000 1.008 365 E CA -2.020 54.433 56.400 0.088 0.000 0.856 365 E CB 0.776 30.519 29.700 0.073 0.000 1.120 365 E HN 0.277 nan 8.360 nan 0.000 0.397 366 P HA 0.173 nan 4.420 nan 0.000 0.280 366 P C -0.957 176.385 177.300 0.071 0.000 1.244 366 P CA -0.388 62.744 63.100 0.054 0.000 0.784 366 P CB 0.356 32.087 31.700 0.051 0.000 0.913 367 N N 1.219 119.972 118.700 0.088 0.000 2.284 367 N HA 0.651 5.391 4.740 -0.000 0.000 0.289 367 N C -1.253 174.336 175.510 0.132 0.000 1.179 367 N CA -0.859 52.214 53.050 0.038 0.000 0.774 367 N CB 1.519 40.002 38.487 -0.007 0.000 1.548 367 N HN 0.458 nan 8.380 nan 0.000 0.473 368 Y N -1.820 118.499 120.300 0.030 0.000 2.728 368 Y HA 0.890 5.440 4.550 -0.000 0.000 0.330 368 Y C 0.557 176.471 175.900 0.024 0.000 1.234 368 Y CA -0.577 57.541 58.100 0.029 0.000 1.070 368 Y CB 0.614 39.094 38.460 0.033 0.000 1.300 368 Y HN 1.050 nan 8.280 nan 0.000 0.467 369 G N 0.347 109.291 108.800 0.241 0.000 2.545 369 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.216 369 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.216 369 G C -0.982 173.951 174.900 0.055 0.000 1.314 369 G CA -0.406 44.761 45.100 0.110 0.000 0.906 369 G HN 1.204 nan 8.290 nan 0.000 0.563 370 S N -0.671 115.040 115.700 0.019 0.000 2.461 370 S HA 0.564 5.034 4.470 -0.000 0.000 0.322 370 S C 0.044 174.636 174.600 -0.013 0.000 1.063 370 S CA -0.077 58.127 58.200 0.008 0.000 1.120 370 S CB -0.323 62.879 63.200 0.003 0.000 0.968 370 S HN 1.033 nan 8.310 nan 0.000 0.467 371 c N 6.856 125.453 118.600 -0.006 0.000 2.355 371 c HA 0.619 5.189 4.570 -0.000 0.000 0.332 371 c C -2.045 172.047 174.090 0.004 0.000 1.255 371 c CA -1.378 54.946 56.329 -0.008 0.000 1.792 371 c CB 0.724 43.231 42.510 -0.006 0.000 2.300 371 c HN 0.669 nan 8.230 nan 0.000 0.515 372 P HA 0.173 nan 4.420 nan 0.000 0.270 372 P C -0.877 176.482 177.300 0.099 0.000 1.223 372 P CA 0.054 63.170 63.100 0.025 0.000 0.785 372 P CB 0.401 32.129 31.700 0.048 0.000 0.923 373 Q N 0.481 120.378 119.800 0.162 0.000 2.235 373 Q HA 0.347 4.687 4.340 -0.000 0.000 0.256 373 Q C -0.358 175.916 176.000 0.457 0.000 0.951 373 Q CA -0.800 55.190 55.803 0.310 0.000 0.890 373 Q CB 1.268 30.282 28.738 0.459 0.000 1.279 373 Q HN 0.457 nan 8.270 nan 0.000 0.444 374 F N 3.131 123.204 119.950 0.205 0.000 2.590 374 F HA -0.161 4.366 4.527 -0.000 0.000 0.389 374 F C 0.965 176.904 175.800 0.230 0.000 1.049 374 F CA -0.463 57.636 58.000 0.165 0.000 1.199 374 F CB 0.447 39.453 39.000 0.010 0.000 1.058 374 F HN 0.764 nan 8.300 nan 0.000 0.556 375 Y N 4.095 124.435 120.300 0.067 0.000 2.315 375 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 375 Y C 1.684 177.363 175.900 -0.368 0.000 1.154 375 Y CA 1.386 59.404 58.100 -0.137 0.000 1.229 375 Y CB -0.647 37.699 38.460 -0.189 0.000 0.980 375 Y HN 0.514 nan 8.280 nan 0.000 0.540 376 K N 0.652 119.997 120.400 -1.758 0.000 2.362 376 K HA -0.013 4.307 4.320 -0.000 0.000 0.200 376 K C 1.826 177.977 176.600 -0.749 0.000 1.046 376 K CA 0.946 56.375 56.287 -1.430 0.000 0.952 376 K CB -0.202 31.301 32.500 -1.662 0.000 0.753 376 K HN 0.452 nan 8.250 nan 0.000 0.466 377 L N -0.045 120.820 121.223 -0.597 0.000 2.191 377 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 377 L C 0.746 177.268 176.870 -0.579 0.000 1.103 377 L CA 0.916 55.451 54.840 -0.507 0.000 0.769 377 L CB -0.175 41.564 42.059 -0.534 0.000 0.908 377 L HN 0.004 nan 8.230 nan 0.000 0.438 378 F N 0.000 119.830 119.950 -0.201 0.000 2.286 378 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 378 F CA 0.000 57.926 58.000 -0.123 0.000 1.383 378 F CB 0.000 38.981 39.000 -0.031 0.000 1.145 378 F HN 0.000 nan 8.300 nan 0.000 0.574