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 1xsk_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKISDGNWLI QPGLNLIHPL QVFEVEQQDN EMVVYAAPRD VRERTWQLDT DATA SEQUENCE PLFTLRFFSP QEGIVGVRIE HFQGALNNGP HYPLNILQDV KVTIENTERY DATA SEQUENCE AEFKSGNLSA RVSKGEFWSL DFLRNGERIT GSQVKNNGYV QDTNNQRNYM DATA SEQUENCE FERLDLGVGE TVYGLGERFT ALVRNGQTVE TWNRDGGTST EQAYKNIPFY DATA SEQUENCE MTNRGYGVLV NHPQCVSFEV GSEKVSKVQF SVESEYLEYF VIDGPTPKAV DATA SEQUENCE LDRYTRFTGR PALPPAWSFG LWLTTSFTTN YDEATVNSFI DGMAERNLPL DATA SEQUENCE HVFHFDCFWM KAFQWCDFEW DPLTFPDPEG MIRRLKAKGL KICVWINPYI DATA SEQUENCE GQKSPVFKEL QEKGYLLKRP DGSLWQWDKW QPGLAIYDFT NPDACKWYAD DATA SEQUENCE KLKGLVAMGV DCFKTDFGER IPTDVQWFDG SDPQKMHNHY AYIYNELVWN DATA SEQUENCE VLKDTVGEEE AVLFARSASV GAQKFPVHWG GDCYANYESM AESLRGGLSI DATA SEQUENCE GLSGFGFWSH DIGGFENTAP AHVYKRWCAF GLLSSHSRLH GSKSYRVPWA DATA SEQUENCE YDDESCDVVR FFTQLKCRMM PYLYREAARA NARGTPMMRA MMMEFPDDPA DATA SEQUENCE CDYLDRQYML GDNVMVAPVF TEAGDVQFYL PEGRWTHLWH NDELDGSRWH DATA SEQUENCE KQQHGFLSLP VYVRDNTLLA LGNNDQRPDY VWHEGTAFHL FNLQDGHEAV DATA SEQUENCE CEVPAADGSV IFTLKAARTG NTITVTGAGE AKNWTLCLRN VVKVNGLQDG DATA SEQUENCE SQAESEQGLV VKPQGNALTI TLH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.156 176.300 -0.241 0.000 1.140 1 M CA 0.000 55.158 55.300 -0.237 0.000 0.988 1 M CB 0.000 32.377 32.600 -0.372 0.000 1.302 2 K N 5.144 125.417 120.400 -0.212 0.000 2.349 2 K HA 0.340 4.660 4.320 0.000 0.000 0.289 2 K C 0.259 176.712 176.600 -0.245 0.000 1.064 2 K CA 0.136 56.305 56.287 -0.198 0.000 0.947 2 K CB 0.621 33.033 32.500 -0.146 0.000 1.007 2 K HN 0.683 nan 8.250 nan 0.000 0.478 3 I N 0.448 120.847 120.570 -0.285 0.000 2.899 3 I HA -0.117 4.053 4.170 0.000 0.000 0.257 3 I C 1.030 177.001 176.117 -0.243 0.000 1.115 3 I CA 0.280 61.377 61.300 -0.339 0.000 1.451 3 I CB 0.082 37.743 38.000 -0.566 0.000 1.251 3 I HN 0.442 nan 8.210 nan 0.000 0.456 4 S N 0.418 115.991 115.700 -0.213 0.000 2.632 4 S HA 0.198 4.668 4.470 0.000 0.000 0.271 4 S C -0.344 174.187 174.600 -0.116 0.000 1.260 4 S CA -0.533 57.579 58.200 -0.146 0.000 1.010 4 S CB 1.749 64.865 63.200 -0.141 0.000 0.965 4 S HN 0.219 nan 8.310 nan 0.000 0.534 5 D N 0.273 120.625 120.400 -0.080 0.000 2.456 5 D HA 0.501 5.141 4.640 0.000 0.000 0.287 5 D C 0.628 176.901 176.300 -0.045 0.000 1.186 5 D CA 0.714 54.680 54.000 -0.057 0.000 0.916 5 D CB -0.129 40.651 40.800 -0.033 0.000 1.029 5 D HN 1.130 nan 8.370 nan 0.000 0.498 6 G N 2.894 111.647 108.800 -0.078 0.000 2.760 6 G HA2 -0.325 3.635 3.960 0.000 0.000 0.246 6 G HA3 -0.325 3.635 3.960 0.000 0.000 0.246 6 G C 0.723 175.507 174.900 -0.194 0.000 1.359 6 G CA -0.058 44.980 45.100 -0.103 0.000 0.861 6 G HN 0.487 nan 8.290 nan 0.000 0.541 7 N N -0.778 117.696 118.700 -0.378 0.000 2.188 7 N HA -0.010 4.730 4.740 0.000 0.000 0.184 7 N C 1.993 177.161 175.510 -0.569 0.000 1.018 7 N CA 2.635 55.306 53.050 -0.632 0.000 0.858 7 N CB -0.150 37.680 38.487 -1.094 0.000 0.989 7 N HN 0.647 nan 8.380 nan 0.000 0.426 8 W N -0.010 121.278 121.300 -0.020 0.000 2.737 8 W HA 0.350 5.010 4.660 0.000 0.000 0.262 8 W C 0.225 176.735 176.519 -0.016 0.000 1.282 8 W CA -0.596 56.739 57.345 -0.015 0.000 1.386 8 W CB 0.180 29.633 29.460 -0.013 0.000 1.099 8 W HN -0.088 nan 8.180 nan 0.000 0.621 9 L N -0.102 121.209 121.223 0.147 0.000 2.256 9 L HA 0.622 4.962 4.340 0.000 0.000 0.261 9 L C -0.214 176.666 176.870 0.016 0.000 1.022 9 L CA -1.368 53.522 54.840 0.083 0.000 0.828 9 L CB 1.658 43.762 42.059 0.074 0.000 1.374 9 L HN -0.314 nan 8.230 nan 0.000 0.436 10 I N -0.050 120.522 120.570 0.004 0.000 2.646 10 I HA 0.256 4.426 4.170 0.000 0.000 0.299 10 I C -0.467 175.624 176.117 -0.043 0.000 1.036 10 I CA -0.980 60.301 61.300 -0.032 0.000 1.074 10 I CB 1.938 39.924 38.000 -0.023 0.000 1.258 10 I HN 0.483 nan 8.210 nan 0.000 0.430 11 Q N 4.226 123.982 119.800 -0.073 0.000 2.330 11 Q HA 0.175 4.515 4.340 0.000 0.000 0.279 11 Q C -2.250 173.717 176.000 -0.055 0.000 1.024 11 Q CA -1.417 54.344 55.803 -0.070 0.000 0.900 11 Q CB 0.008 28.685 28.738 -0.101 0.000 1.221 11 Q HN 0.236 nan 8.270 nan 0.000 0.396 12 P HA -0.061 nan 4.420 nan 0.000 0.266 12 P C 0.632 177.912 177.300 -0.033 0.000 1.186 12 P CA 1.104 64.187 63.100 -0.030 0.000 0.767 12 P CB 0.360 32.045 31.700 -0.024 0.000 0.820 13 G N 1.232 110.017 108.800 -0.025 0.000 2.189 13 G HA2 -0.260 3.700 3.960 0.000 0.000 0.267 13 G HA3 -0.260 3.700 3.960 0.000 0.000 0.267 13 G C -0.101 174.780 174.900 -0.032 0.000 0.975 13 G CA -0.115 44.971 45.100 -0.024 0.000 0.644 13 G HN 0.456 nan 8.290 nan 0.000 0.537 14 L N 0.605 121.801 121.223 -0.045 0.000 2.309 14 L HA 0.498 4.838 4.340 0.000 0.000 0.282 14 L C -0.518 176.319 176.870 -0.054 0.000 1.036 14 L CA -0.981 53.822 54.840 -0.062 0.000 0.806 14 L CB 1.377 43.380 42.059 -0.095 0.000 1.220 14 L HN -0.001 nan 8.230 nan 0.000 0.429 15 N N 4.697 123.362 118.700 -0.059 0.000 2.407 15 N HA 0.563 5.303 4.740 0.000 0.000 0.277 15 N C -0.967 174.502 175.510 -0.068 0.000 0.995 15 N CA -0.390 52.634 53.050 -0.045 0.000 0.903 15 N CB 2.352 40.825 38.487 -0.023 0.000 1.218 15 N HN 0.397 nan 8.380 nan 0.000 0.487 16 L N 2.285 123.463 121.223 -0.075 0.000 2.334 16 L HA 0.697 5.037 4.340 0.000 0.000 0.272 16 L C 0.229 176.967 176.870 -0.220 0.000 1.020 16 L CA -1.119 53.634 54.840 -0.145 0.000 0.812 16 L CB 1.538 43.507 42.059 -0.150 0.000 1.264 16 L HN 0.453 nan 8.230 nan 0.000 0.439 17 I N -1.626 118.775 120.570 -0.281 0.000 2.607 17 I HA 0.544 4.714 4.170 0.000 0.000 0.290 17 I C -1.292 174.708 176.117 -0.195 0.000 1.129 17 I CA -0.537 60.663 61.300 -0.167 0.000 1.042 17 I CB 2.255 40.281 38.000 0.043 0.000 1.242 17 I HN 0.555 nan 8.210 nan 0.000 0.421 18 H N 4.008 123.153 119.070 0.124 0.000 2.865 18 H HA 0.515 5.071 4.556 0.000 0.000 0.372 18 H C -2.837 172.306 175.328 -0.308 0.000 1.173 18 H CA -2.102 53.816 56.048 -0.216 0.000 1.147 18 H CB 2.307 31.928 29.762 -0.236 0.000 1.805 18 H HN 0.432 nan 8.280 nan 0.000 0.553 19 P HA 0.130 nan 4.420 nan 0.000 0.276 19 P C 0.259 176.955 177.300 -1.006 0.000 1.253 19 P CA -0.052 62.625 63.100 -0.705 0.000 0.766 19 P CB 1.077 32.174 31.700 -1.005 0.000 0.845 20 L N 1.821 122.724 121.223 -0.534 0.000 2.781 20 L HA 0.299 4.639 4.340 0.000 0.000 0.245 20 L C 1.094 177.970 176.870 0.010 0.000 1.118 20 L CA 0.337 54.982 54.840 -0.326 0.000 0.918 20 L CB 0.398 42.394 42.059 -0.104 0.000 1.246 20 L HN 0.416 nan 8.230 nan 0.000 0.526 21 Q N 0.535 120.391 119.800 0.093 0.000 2.320 21 Q HA 0.365 4.705 4.340 0.000 0.000 0.272 21 Q C -1.444 174.819 176.000 0.437 0.000 1.023 21 Q CA -0.413 55.585 55.803 0.325 0.000 0.855 21 Q CB 3.154 31.998 28.738 0.177 0.000 1.367 21 Q HN -0.158 nan 8.270 nan 0.000 0.406 22 V N 4.474 124.687 119.914 0.499 0.000 2.715 22 V HA 0.132 4.252 4.120 0.000 0.000 0.299 22 V C 0.211 176.520 176.094 0.359 0.000 1.054 22 V CA 0.573 63.140 62.300 0.446 0.000 1.077 22 V CB 0.894 32.885 31.823 0.280 0.000 0.972 22 V HN 0.868 nan 8.190 nan 0.000 0.484 23 F N 2.092 122.182 119.950 0.233 0.000 2.711 23 F HA 0.443 4.970 4.527 0.000 0.000 0.296 23 F C 0.663 176.554 175.800 0.152 0.000 1.096 23 F CA 0.252 58.352 58.000 0.167 0.000 1.280 23 F CB 0.669 39.762 39.000 0.156 0.000 1.060 23 F HN 0.571 nan 8.300 nan 0.000 0.608 24 E N 0.710 121.016 120.200 0.177 0.000 2.400 24 E HA 0.464 4.814 4.350 0.000 0.000 0.285 24 E C -2.120 174.655 176.600 0.292 0.000 1.005 24 E CA -0.610 55.842 56.400 0.086 0.000 0.816 24 E CB 2.105 31.818 29.700 0.022 0.000 1.220 24 E HN -0.123 nan 8.360 nan 0.000 0.426 25 V N 2.824 122.845 119.914 0.180 0.000 2.680 25 V HA 0.586 4.706 4.120 0.000 0.000 0.309 25 V C -0.669 175.529 176.094 0.173 0.000 1.052 25 V CA -0.562 61.847 62.300 0.182 0.000 0.908 25 V CB 1.810 33.696 31.823 0.104 0.000 1.001 25 V HN 0.700 nan 8.190 nan 0.000 0.431 26 E N 2.862 123.175 120.200 0.188 0.000 2.291 26 E HA 0.356 4.706 4.350 0.000 0.000 0.276 26 E C -1.245 175.435 176.600 0.133 0.000 0.896 26 E CA -0.594 55.905 56.400 0.166 0.000 0.774 26 E CB 2.072 31.916 29.700 0.239 0.000 1.227 26 E HN 0.755 nan 8.360 nan 0.000 0.413 27 Q N 3.510 123.375 119.800 0.108 0.000 2.256 27 Q HA 0.217 4.558 4.340 0.000 0.000 0.254 27 Q C -1.012 175.045 176.000 0.095 0.000 0.916 27 Q CA -0.219 55.648 55.803 0.107 0.000 0.932 27 Q CB 1.133 29.926 28.738 0.093 0.000 1.207 27 Q HN 0.503 nan 8.270 nan 0.000 0.426 28 Q N 4.539 124.397 119.800 0.097 0.000 2.523 28 Q HA 0.186 4.526 4.340 0.000 0.000 0.251 28 Q C -0.936 175.111 176.000 0.079 0.000 1.033 28 Q CA -0.563 55.285 55.803 0.075 0.000 0.746 28 Q CB 1.091 29.864 28.738 0.058 0.000 1.189 28 Q HN 0.854 nan 8.270 nan 0.000 0.508 29 D N 1.250 121.693 120.400 0.073 0.000 3.685 29 D HA -0.251 4.389 4.640 0.000 0.000 0.152 29 D C 0.446 176.811 176.300 0.107 0.000 0.966 29 D CA 1.687 55.731 54.000 0.073 0.000 1.085 29 D CB -0.705 40.132 40.800 0.062 0.000 0.521 29 D HN 0.743 nan 8.370 nan 0.000 0.543 30 N N 2.467 121.244 118.700 0.129 0.000 2.375 30 N HA 0.044 4.785 4.740 0.000 0.000 0.220 30 N C -0.319 175.399 175.510 0.345 0.000 1.170 30 N CA 0.511 53.679 53.050 0.197 0.000 0.833 30 N CB 0.204 38.789 38.487 0.164 0.000 1.069 30 N HN 0.446 nan 8.380 nan 0.000 0.479 31 E N 0.233 120.588 120.200 0.259 0.000 2.312 31 E HA 0.379 4.729 4.350 0.000 0.000 0.267 31 E C -1.129 175.585 176.600 0.189 0.000 0.894 31 E CA -0.710 55.823 56.400 0.221 0.000 0.773 31 E CB 2.606 32.361 29.700 0.090 0.000 1.241 31 E HN 0.087 nan 8.360 nan 0.000 0.432 32 M N 2.901 122.588 119.600 0.146 0.000 2.253 32 M HA 0.390 4.870 4.480 0.000 0.000 0.314 32 M C -1.797 174.594 176.300 0.152 0.000 1.019 32 M CA -0.795 54.608 55.300 0.173 0.000 0.932 32 M CB 1.336 34.075 32.600 0.232 0.000 1.606 32 M HN 0.271 nan 8.290 nan 0.000 0.430 33 V N 5.513 125.484 119.914 0.096 0.000 2.435 33 V HA 0.576 4.696 4.120 0.000 0.000 0.290 33 V C -0.599 175.497 176.094 0.002 0.000 1.030 33 V CA -0.667 61.623 62.300 -0.016 0.000 0.881 33 V CB 1.735 33.489 31.823 -0.114 0.000 0.983 33 V HN 0.681 nan 8.190 nan 0.000 0.445 34 V N 5.143 125.041 119.914 -0.027 0.000 2.483 34 V HA 0.452 4.572 4.120 0.000 0.000 0.297 34 V C -1.192 174.914 176.094 0.020 0.000 1.027 34 V CA -0.786 61.582 62.300 0.113 0.000 0.855 34 V CB 1.561 33.561 31.823 0.296 0.000 0.995 34 V HN 0.746 nan 8.190 nan 0.000 0.424 35 Y N 2.900 123.369 120.300 0.282 0.000 2.328 35 Y HA 0.744 5.294 4.550 0.000 0.000 0.337 35 Y C 0.499 176.610 175.900 0.351 0.000 1.008 35 Y CA -0.417 57.858 58.100 0.293 0.000 1.129 35 Y CB 1.769 40.415 38.460 0.311 0.000 1.185 35 Y HN 0.723 nan 8.280 nan 0.000 0.476 36 A N 2.208 125.285 122.820 0.428 0.000 2.371 36 A HA 0.897 5.217 4.320 0.000 0.000 0.311 36 A C -0.851 176.884 177.584 0.253 0.000 1.068 36 A CA -0.636 51.608 52.037 0.344 0.000 0.744 36 A CB 0.797 19.907 19.000 0.183 0.000 1.239 36 A HN 0.802 nan 8.150 nan 0.000 0.435 37 A N 2.409 125.341 122.820 0.187 0.000 2.282 37 A HA 0.802 5.122 4.320 0.000 0.000 0.319 37 A C -2.278 175.358 177.584 0.087 0.000 1.121 37 A CA -1.715 50.387 52.037 0.109 0.000 0.836 37 A CB 0.522 19.564 19.000 0.069 0.000 1.146 37 A HN 0.472 nan 8.150 nan 0.000 0.494 38 P HA 0.131 nan 4.420 nan 0.000 0.255 38 P C -0.182 177.130 177.300 0.020 0.000 1.248 38 P CA 0.378 63.527 63.100 0.081 0.000 0.807 38 P CB 0.045 31.806 31.700 0.101 0.000 1.150 39 R N -2.420 118.079 120.500 -0.002 0.000 2.747 39 R HA 0.463 4.803 4.340 0.000 0.000 0.272 39 R C -1.548 174.721 176.300 -0.051 0.000 1.032 39 R CA -0.907 55.159 56.100 -0.056 0.000 0.896 39 R CB -0.139 30.095 30.300 -0.110 0.000 1.253 39 R HN -0.357 nan 8.270 nan 0.000 0.461 40 D N 1.153 121.482 120.400 -0.118 0.000 2.358 40 D HA 0.137 4.777 4.640 0.000 0.000 0.258 40 D C 0.329 176.605 176.300 -0.041 0.000 1.223 40 D CA -0.153 53.798 54.000 -0.081 0.000 0.886 40 D CB 1.414 42.131 40.800 -0.139 0.000 1.120 40 D HN 0.500 nan 8.370 nan 0.000 0.482 41 V N 1.854 121.821 119.914 0.088 0.000 2.854 41 V HA 0.371 4.491 4.120 0.000 0.000 0.366 41 V C 1.393 177.634 176.094 0.245 0.000 1.322 41 V CA -0.510 61.898 62.300 0.180 0.000 1.243 41 V CB 0.024 31.928 31.823 0.136 0.000 1.337 41 V HN 0.391 nan 8.190 nan 0.000 0.585 42 R N 0.800 121.410 120.500 0.183 0.000 2.115 42 R HA 0.151 4.491 4.340 0.000 0.000 0.226 42 R C 0.471 176.876 176.300 0.175 0.000 1.100 42 R CA 0.932 57.130 56.100 0.164 0.000 0.980 42 R CB 0.234 30.592 30.300 0.096 0.000 0.875 42 R HN 0.685 nan 8.270 nan 0.000 0.445 43 E N 0.603 120.932 120.200 0.216 0.000 2.249 43 E HA 0.132 4.482 4.350 0.000 0.000 0.280 43 E C 0.424 177.139 176.600 0.191 0.000 1.016 43 E CA -0.410 56.113 56.400 0.205 0.000 0.830 43 E CB 1.232 31.089 29.700 0.262 0.000 1.081 43 E HN 0.115 nan 8.360 nan 0.000 0.395 44 R N 0.815 121.382 120.500 0.111 0.000 2.159 44 R HA -0.129 4.211 4.340 0.000 0.000 0.237 44 R C 2.032 178.331 176.300 -0.000 0.000 1.131 44 R CA 1.230 57.371 56.100 0.068 0.000 0.982 44 R CB -0.395 29.929 30.300 0.040 0.000 0.868 44 R HN 0.479 nan 8.270 nan 0.000 0.453 45 T N -0.848 113.664 114.554 -0.069 0.000 3.007 45 T HA -0.112 4.238 4.350 0.000 0.000 0.270 45 T C 0.649 175.086 174.700 -0.438 0.000 1.107 45 T CA 0.876 62.806 62.100 -0.283 0.000 1.118 45 T CB -0.072 68.550 68.868 -0.410 0.000 0.889 45 T HN 0.462 nan 8.240 nan 0.000 0.506 46 W N 1.029 122.332 121.300 0.004 0.000 2.991 46 W HA 0.380 5.040 4.660 0.000 0.000 0.391 46 W C 1.150 177.653 176.519 -0.027 0.000 1.054 46 W CA -0.689 56.653 57.345 -0.005 0.000 1.856 46 W CB 0.489 29.953 29.460 0.007 0.000 1.132 46 W HN 0.192 nan 8.180 nan 0.000 0.601 47 Q N 1.662 121.528 119.800 0.110 0.000 2.297 47 Q HA 0.255 4.595 4.340 0.000 0.000 0.265 47 Q C -0.345 175.631 176.000 -0.040 0.000 0.904 47 Q CA 0.107 55.916 55.803 0.010 0.000 0.969 47 Q CB -0.275 28.475 28.738 0.019 0.000 1.115 47 Q HN 0.289 nan 8.270 nan 0.000 0.433 48 L N -5.372 115.846 121.223 -0.009 0.000 2.720 48 L HA 0.549 4.889 4.340 0.000 0.000 0.261 48 L C -0.926 175.948 176.870 0.007 0.000 1.046 48 L CA -1.011 53.812 54.840 -0.028 0.000 0.886 48 L CB 1.081 43.111 42.059 -0.048 0.000 1.493 48 L HN -0.179 nan 8.230 nan 0.000 0.407 49 D N -0.043 120.356 120.400 -0.003 0.000 2.689 49 D HA -0.163 4.477 4.640 0.000 0.000 0.237 49 D C -0.240 176.090 176.300 0.050 0.000 1.148 49 D CA 1.720 55.733 54.000 0.022 0.000 0.656 49 D CB -0.651 40.165 40.800 0.026 0.000 1.050 49 D HN 0.987 nan 8.370 nan 0.000 0.426 50 T N -1.136 113.432 114.554 0.023 0.000 2.942 50 T HA 0.484 4.834 4.350 0.000 0.000 0.327 50 T C -2.584 172.100 174.700 -0.027 0.000 1.360 50 T CA -1.170 60.941 62.100 0.018 0.000 1.055 50 T CB 1.827 70.717 68.868 0.037 0.000 1.261 50 T HN -0.256 nan 8.240 nan 0.000 0.485 51 P HA 0.507 nan 4.420 nan 0.000 0.273 51 P C -1.414 175.785 177.300 -0.170 0.000 1.250 51 P CA -0.835 62.192 63.100 -0.122 0.000 0.793 51 P CB 0.419 32.001 31.700 -0.196 0.000 1.011 52 L N 1.529 122.606 121.223 -0.243 0.000 2.580 52 L HA 0.413 4.753 4.340 0.000 0.000 0.266 52 L C -1.605 175.164 176.870 -0.168 0.000 0.955 52 L CA -0.408 54.346 54.840 -0.142 0.000 0.886 52 L CB 0.640 42.663 42.059 -0.059 0.000 1.263 52 L HN 0.293 nan 8.230 nan 0.000 0.406 53 F N 2.507 122.488 119.950 0.052 0.000 2.399 53 F HA 0.456 4.983 4.527 0.000 0.000 0.342 53 F C 0.963 176.803 175.800 0.067 0.000 1.106 53 F CA 0.036 58.061 58.000 0.042 0.000 1.196 53 F CB 1.689 40.680 39.000 -0.015 0.000 1.163 53 F HN 0.363 nan 8.300 nan 0.000 0.547 54 T N 4.861 119.541 114.554 0.209 0.000 2.809 54 T HA 0.522 4.872 4.350 0.000 0.000 0.296 54 T C -0.668 174.016 174.700 -0.026 0.000 1.015 54 T CA -0.523 61.581 62.100 0.006 0.000 0.954 54 T CB 0.406 69.254 68.868 -0.032 0.000 0.950 54 T HN 0.150 nan 8.240 nan 0.000 0.450 55 L N 3.431 124.615 121.223 -0.065 0.000 2.282 55 L HA 0.605 4.945 4.340 0.000 0.000 0.288 55 L C 0.377 177.107 176.870 -0.233 0.000 1.033 55 L CA -0.440 54.316 54.840 -0.141 0.000 0.807 55 L CB 1.200 43.235 42.059 -0.040 0.000 1.209 55 L HN 0.423 nan 8.230 nan 0.000 0.423 56 R N 2.935 123.233 120.500 -0.337 0.000 2.480 56 R HA 0.600 4.940 4.340 0.000 0.000 0.306 56 R C -1.585 174.513 176.300 -0.338 0.000 0.958 56 R CA -0.462 55.493 56.100 -0.242 0.000 0.861 56 R CB 0.864 31.045 30.300 -0.198 0.000 1.171 56 R HN 0.373 nan 8.270 nan 0.000 0.445 57 F N 5.783 125.640 119.950 -0.156 0.000 2.443 57 F HA 0.546 5.073 4.527 0.000 0.000 0.335 57 F C -0.204 175.219 175.800 -0.629 0.000 1.104 57 F CA -0.440 57.310 58.000 -0.417 0.000 1.013 57 F CB 1.319 39.953 39.000 -0.610 0.000 1.136 57 F HN 0.461 nan 8.300 nan 0.000 0.470 58 F N -0.497 119.017 119.950 -0.727 0.000 2.831 58 F HA 0.739 5.266 4.527 0.000 0.000 0.318 58 F C -1.105 174.708 175.800 0.022 0.000 1.174 58 F CA -1.744 56.001 58.000 -0.425 0.000 0.918 58 F CB 1.399 40.330 39.000 -0.115 0.000 1.364 58 F HN 0.232 nan 8.300 nan 0.000 0.475 59 S N 1.355 117.247 115.700 0.320 0.000 2.733 59 S HA 0.544 5.014 4.470 0.000 0.000 0.294 59 S C -2.324 172.359 174.600 0.138 0.000 1.149 59 S CA -1.261 57.050 58.200 0.185 0.000 1.034 59 S CB 1.682 65.062 63.200 0.300 0.000 1.015 59 S HN 0.608 nan 8.310 nan 0.000 0.486 60 P HA 0.150 nan 4.420 nan 0.000 0.230 60 P C -0.454 176.759 177.300 -0.144 0.000 1.168 60 P CA 0.536 63.619 63.100 -0.029 0.000 0.793 60 P CB 0.361 31.976 31.700 -0.141 0.000 0.851 61 Q N -0.525 119.124 119.800 -0.252 0.000 2.435 61 Q HA 0.185 4.525 4.340 0.000 0.000 0.282 61 Q C -0.490 175.418 176.000 -0.153 0.000 1.020 61 Q CA -0.680 54.996 55.803 -0.213 0.000 0.820 61 Q CB 1.776 30.315 28.738 -0.332 0.000 1.436 61 Q HN -0.003 nan 8.270 nan 0.000 0.395 62 E N 0.360 120.498 120.200 -0.103 0.000 2.558 62 E HA 0.083 4.433 4.350 0.000 0.000 0.255 62 E C 0.564 177.114 176.600 -0.084 0.000 0.968 62 E CA 1.666 58.020 56.400 -0.078 0.000 0.939 62 E CB 0.135 29.797 29.700 -0.064 0.000 0.921 62 E HN 0.815 nan 8.360 nan 0.000 0.477 63 G N 4.293 113.056 108.800 -0.063 0.000 2.157 63 G HA2 -0.235 3.725 3.960 0.000 0.000 0.248 63 G HA3 -0.235 3.725 3.960 0.000 0.000 0.248 63 G C 0.282 175.156 174.900 -0.044 0.000 0.979 63 G CA 0.254 45.327 45.100 -0.045 0.000 0.650 63 G HN 0.517 nan 8.290 nan 0.000 0.529 64 I N 0.786 121.309 120.570 -0.078 0.000 2.447 64 I HA 0.470 4.640 4.170 0.000 0.000 0.287 64 I C -0.202 175.908 176.117 -0.011 0.000 1.023 64 I CA -1.117 60.124 61.300 -0.098 0.000 1.083 64 I CB 2.229 40.018 38.000 -0.352 0.000 1.245 64 I HN -0.131 nan 8.210 nan 0.000 0.434 65 V N 5.297 125.252 119.914 0.068 0.000 2.357 65 V HA 0.488 4.608 4.120 0.000 0.000 0.284 65 V C 0.633 176.682 176.094 -0.075 0.000 1.018 65 V CA -0.514 61.854 62.300 0.113 0.000 0.841 65 V CB 1.515 33.521 31.823 0.304 0.000 0.991 65 V HN 0.877 nan 8.190 nan 0.000 0.437 66 G N 3.774 112.292 108.800 -0.470 0.000 2.372 66 G HA2 0.544 4.504 3.960 0.000 0.000 0.283 66 G HA3 0.544 4.504 3.960 0.000 0.000 0.283 66 G C -0.832 173.539 174.900 -0.882 0.000 1.177 66 G CA -0.267 44.172 45.100 -1.101 0.000 0.842 66 G HN 0.558 nan 8.290 nan 0.000 0.503 67 V N 3.034 122.453 119.914 -0.824 0.000 2.443 67 V HA 0.513 4.633 4.120 0.000 0.000 0.293 67 V C 0.090 175.857 176.094 -0.545 0.000 1.021 67 V CA -0.877 60.962 62.300 -0.768 0.000 0.848 67 V CB 1.528 32.787 31.823 -0.939 0.000 0.998 67 V HN 0.810 nan 8.190 nan 0.000 0.424 68 R N 5.175 125.478 120.500 -0.328 0.000 2.371 68 R HA 0.579 4.919 4.340 0.000 0.000 0.312 68 R C -1.255 174.992 176.300 -0.088 0.000 0.980 68 R CA -0.511 55.525 56.100 -0.105 0.000 0.867 68 R CB 1.365 31.638 30.300 -0.046 0.000 1.163 68 R HN 0.814 nan 8.270 nan 0.000 0.492 69 I N 4.034 124.629 120.570 0.041 0.000 2.321 69 I HA 0.293 4.463 4.170 0.000 0.000 0.291 69 I C -0.762 175.484 176.117 0.216 0.000 0.998 69 I CA -0.310 61.043 61.300 0.088 0.000 1.227 69 I CB 0.956 38.997 38.000 0.069 0.000 1.368 69 I HN 0.686 nan 8.210 nan 0.000 0.466 70 E N 6.243 126.568 120.200 0.210 0.000 2.244 70 E HA 0.302 4.652 4.350 0.000 0.000 0.266 70 E C -0.659 176.087 176.600 0.243 0.000 0.914 70 E CA -0.653 55.891 56.400 0.240 0.000 0.794 70 E CB 2.495 32.273 29.700 0.130 0.000 1.210 70 E HN 0.659 nan 8.360 nan 0.000 0.414 71 H N 1.722 120.804 119.070 0.019 0.000 4.129 71 H HA 0.253 4.809 4.556 0.000 0.000 0.183 71 H C -0.318 174.948 175.328 -0.103 0.000 1.373 71 H CA -0.329 55.535 56.048 -0.307 0.000 1.568 71 H CB 0.356 29.669 29.762 -0.748 0.000 1.594 71 H HN 0.306 nan 8.280 nan 0.000 0.439 72 F N 1.946 121.672 119.950 -0.374 0.000 2.412 72 F HA 0.182 4.709 4.527 0.000 0.000 0.348 72 F C 1.297 177.052 175.800 -0.076 0.000 1.102 72 F CA -0.203 57.617 58.000 -0.300 0.000 1.196 72 F CB 1.230 40.067 39.000 -0.271 0.000 1.144 72 F HN 0.440 nan 8.300 nan 0.000 0.541 73 Q N 1.495 121.368 119.800 0.120 0.000 2.319 73 Q HA 0.135 4.475 4.340 0.000 0.000 0.202 73 Q C 1.828 177.855 176.000 0.044 0.000 0.896 73 Q CA 0.355 56.197 55.803 0.065 0.000 0.942 73 Q CB 0.425 29.171 28.738 0.013 0.000 1.083 73 Q HN 0.999 nan 8.270 nan 0.000 0.510 74 G N 0.882 109.701 108.800 0.032 0.000 2.848 74 G HA2 0.180 4.140 3.960 0.000 0.000 0.208 74 G HA3 0.180 4.140 3.960 0.000 0.000 0.208 74 G C 0.573 175.500 174.900 0.045 0.000 1.152 74 G CA 0.292 45.390 45.100 -0.003 0.000 0.789 74 G HN 0.336 nan 8.290 nan 0.000 0.531 75 A N -0.208 122.678 122.820 0.110 0.000 2.406 75 A HA 0.482 4.802 4.320 0.000 0.000 0.243 75 A C 1.500 179.148 177.584 0.106 0.000 1.082 75 A CA -0.366 51.749 52.037 0.129 0.000 0.786 75 A CB 0.430 19.544 19.000 0.191 0.000 1.029 75 A HN 0.193 nan 8.150 nan 0.000 0.495 76 L N 0.800 122.083 121.223 0.100 0.000 2.093 76 L HA -0.132 4.208 4.340 0.000 0.000 0.208 76 L C 0.255 177.194 176.870 0.115 0.000 1.085 76 L CA 0.553 55.446 54.840 0.088 0.000 0.755 76 L CB -0.657 41.448 42.059 0.077 0.000 0.904 76 L HN 0.784 nan 8.230 nan 0.000 0.435 77 N N 2.024 120.821 118.700 0.161 0.000 2.652 77 N HA -0.180 4.560 4.740 0.000 0.000 0.281 77 N C -0.559 175.070 175.510 0.198 0.000 1.084 77 N CA 0.594 53.780 53.050 0.226 0.000 0.775 77 N CB -1.194 37.453 38.487 0.267 0.000 0.923 77 N HN 0.396 nan 8.380 nan 0.000 0.558 78 N N -0.031 118.752 118.700 0.138 0.000 2.463 78 N HA 0.414 5.154 4.740 0.000 0.000 0.270 78 N C 1.236 176.720 175.510 -0.044 0.000 1.205 78 N CA 0.002 53.095 53.050 0.072 0.000 0.974 78 N CB 0.705 39.220 38.487 0.046 0.000 1.197 78 N HN 0.402 nan 8.380 nan 0.000 0.504 79 G N 0.194 108.873 108.800 -0.201 0.000 2.553 79 G HA2 0.276 4.236 3.960 0.000 0.000 0.278 79 G HA3 0.276 4.236 3.960 0.000 0.000 0.278 79 G C -2.308 172.378 174.900 -0.357 0.000 1.349 79 G CA -0.545 44.208 45.100 -0.579 0.000 1.037 79 G HN 0.342 nan 8.290 nan 0.000 0.508 80 P HA 0.258 nan 4.420 nan 0.000 0.277 80 P C -0.988 175.828 177.300 -0.808 0.000 1.271 80 P CA -0.181 62.583 63.100 -0.561 0.000 0.795 80 P CB 1.248 32.700 31.700 -0.414 0.000 1.101 81 H N -1.340 117.515 119.070 -0.358 0.000 2.731 81 H HA 0.305 4.861 4.556 0.000 0.000 0.368 81 H C 0.013 175.097 175.328 -0.407 0.000 1.168 81 H CA -0.341 55.500 56.048 -0.345 0.000 1.181 81 H CB 0.217 29.884 29.762 -0.158 0.000 1.743 81 H HN 0.335 nan 8.280 nan 0.000 0.547 82 Y N 1.805 122.014 120.300 -0.152 0.000 2.652 82 Y HA 0.003 4.553 4.550 0.000 0.000 0.344 82 Y C -1.275 174.461 175.900 -0.274 0.000 1.254 82 Y CA -1.514 56.431 58.100 -0.257 0.000 1.480 82 Y CB -0.045 38.299 38.460 -0.194 0.000 1.345 82 Y HN 0.366 nan 8.280 nan 0.000 0.617 83 P HA 0.038 nan 4.420 nan 0.000 0.228 83 P C -0.821 176.324 177.300 -0.260 0.000 1.748 83 P CA 0.022 62.993 63.100 -0.213 0.000 0.909 83 P CB -0.344 31.164 31.700 -0.321 0.000 1.882 84 L N 1.627 122.688 121.223 -0.269 0.000 2.453 84 L HA 0.127 4.467 4.340 0.000 0.000 0.272 84 L C 1.043 177.783 176.870 -0.217 0.000 1.182 84 L CA 0.628 55.206 54.840 -0.437 0.000 0.858 84 L CB -0.472 41.321 42.059 -0.443 0.000 1.120 84 L HN 0.078 nan 8.230 nan 0.000 0.474 85 N N 4.752 123.346 118.700 -0.178 0.000 2.500 85 N HA 0.325 5.065 4.740 0.000 0.000 0.236 85 N C -0.597 175.011 175.510 0.163 0.000 1.022 85 N CA -0.053 53.002 53.050 0.008 0.000 0.935 85 N CB 0.877 39.367 38.487 0.004 0.000 1.147 85 N HN 0.432 nan 8.380 nan 0.000 0.512 86 I N 3.305 123.947 120.570 0.119 0.000 2.362 86 I HA 0.309 4.479 4.170 0.000 0.000 0.289 86 I C 0.089 176.261 176.117 0.091 0.000 0.994 86 I CA -0.637 60.753 61.300 0.151 0.000 1.158 86 I CB 1.351 39.454 38.000 0.171 0.000 1.315 86 I HN 0.117 nan 8.210 nan 0.000 0.451 87 L N 5.969 127.237 121.223 0.075 0.000 2.325 87 L HA 0.333 4.673 4.340 0.000 0.000 0.279 87 L C 0.908 177.822 176.870 0.074 0.000 1.054 87 L CA -0.606 54.266 54.840 0.053 0.000 0.804 87 L CB 1.264 43.339 42.059 0.027 0.000 1.200 87 L HN 0.580 nan 8.230 nan 0.000 0.436 88 Q N 1.079 120.915 119.800 0.060 0.000 2.384 88 Q HA 0.011 4.351 4.340 0.000 0.000 0.207 88 Q C 0.213 176.251 176.000 0.063 0.000 0.904 88 Q CA 0.441 56.284 55.803 0.067 0.000 0.933 88 Q CB 0.435 29.202 28.738 0.048 0.000 1.077 88 Q HN 0.721 nan 8.270 nan 0.000 0.522 89 D N -0.261 120.168 120.400 0.048 0.000 2.559 89 D HA 0.080 4.720 4.640 0.000 0.000 0.234 89 D C 0.094 176.412 176.300 0.030 0.000 1.226 89 D CA -0.301 53.721 54.000 0.037 0.000 0.830 89 D CB 0.425 41.239 40.800 0.023 0.000 1.028 89 D HN -0.209 nan 8.370 nan 0.000 0.492 90 V N 1.185 121.125 119.914 0.043 0.000 2.585 90 V HA -0.033 4.087 4.120 0.000 0.000 0.296 90 V C 0.861 176.963 176.094 0.013 0.000 1.035 90 V CA -0.249 62.065 62.300 0.024 0.000 1.084 90 V CB 0.953 32.798 31.823 0.037 0.000 0.953 90 V HN 0.147 nan 8.190 nan 0.000 0.483 91 K N 4.795 125.184 120.400 -0.018 0.000 2.349 91 K HA 0.431 4.751 4.320 0.000 0.000 0.289 91 K C -0.514 176.035 176.600 -0.084 0.000 1.064 91 K CA -0.293 55.971 56.287 -0.039 0.000 0.947 91 K CB 0.607 33.081 32.500 -0.042 0.000 1.007 91 K HN 0.663 nan 8.250 nan 0.000 0.478 92 V N 0.356 120.201 119.914 -0.114 0.000 3.126 92 V HA 0.615 4.735 4.120 0.000 0.000 0.314 92 V C -0.613 175.334 176.094 -0.245 0.000 1.138 92 V CA -0.792 61.351 62.300 -0.262 0.000 1.034 92 V CB 2.034 33.596 31.823 -0.433 0.000 1.075 92 V HN 0.605 nan 8.190 nan 0.000 0.442 93 T N 2.901 117.250 114.554 -0.341 0.000 2.809 93 T HA 0.682 5.032 4.350 0.000 0.000 0.284 93 T C -0.574 173.978 174.700 -0.246 0.000 0.992 93 T CA -0.025 61.939 62.100 -0.227 0.000 0.957 93 T CB 0.782 69.543 68.868 -0.177 0.000 0.942 93 T HN 0.638 nan 8.240 nan 0.000 0.439 94 I N 4.231 124.730 120.570 -0.118 0.000 2.382 94 I HA 0.349 4.519 4.170 0.000 0.000 0.286 94 I C 0.059 176.162 176.117 -0.023 0.000 1.002 94 I CA -0.668 60.611 61.300 -0.036 0.000 1.135 94 I CB 1.310 39.353 38.000 0.071 0.000 1.288 94 I HN 0.647 nan 8.210 nan 0.000 0.448 95 E N 5.213 125.395 120.200 -0.031 0.000 2.220 95 E HA 0.305 4.655 4.350 0.000 0.000 0.256 95 E C -1.173 175.425 176.600 -0.005 0.000 0.881 95 E CA -0.850 55.538 56.400 -0.020 0.000 0.766 95 E CB 1.724 31.404 29.700 -0.034 0.000 1.187 95 E HN 0.409 nan 8.360 nan 0.000 0.419 96 N N 3.431 122.136 118.700 0.009 0.000 2.678 96 N HA 0.094 4.834 4.740 0.000 0.000 0.231 96 N C -0.649 174.868 175.510 0.011 0.000 1.038 96 N CA -0.122 52.937 53.050 0.015 0.000 0.932 96 N CB 1.076 39.579 38.487 0.025 0.000 1.176 96 N HN 0.659 nan 8.380 nan 0.000 0.511 97 T N 0.323 114.888 114.554 0.018 0.000 2.867 97 T HA 0.339 4.689 4.350 0.000 0.000 0.286 97 T C 0.917 175.605 174.700 -0.020 0.000 1.022 97 T CA -0.231 61.872 62.100 0.006 0.000 0.933 97 T CB 0.622 69.504 68.868 0.025 0.000 1.280 97 T HN 0.265 nan 8.240 nan 0.000 0.566 98 E N -0.558 119.616 120.200 -0.043 0.000 2.216 98 E HA 0.134 4.484 4.350 0.000 0.000 0.192 98 E C 2.195 178.724 176.600 -0.117 0.000 0.988 98 E CA 0.557 56.919 56.400 -0.065 0.000 0.834 98 E CB -0.101 29.564 29.700 -0.058 0.000 0.772 98 E HN 0.596 nan 8.360 nan 0.000 0.479 99 R N -0.883 119.503 120.500 -0.189 0.000 2.156 99 R HA 0.129 4.469 4.340 0.000 0.000 0.207 99 R C -0.168 175.796 176.300 -0.560 0.000 1.040 99 R CA 0.578 56.425 56.100 -0.423 0.000 1.013 99 R CB 0.438 30.381 30.300 -0.595 0.000 0.931 99 R HN 0.156 nan 8.270 nan 0.000 0.465 100 Y N -1.613 118.644 120.300 -0.072 0.000 2.669 100 Y HA 0.643 5.193 4.550 0.000 0.000 0.335 100 Y C -0.824 175.012 175.900 -0.107 0.000 1.116 100 Y CA -1.425 56.609 58.100 -0.109 0.000 1.081 100 Y CB 2.083 40.470 38.460 -0.123 0.000 1.297 100 Y HN -0.098 nan 8.280 nan 0.000 0.484 101 A N 1.336 124.187 122.820 0.053 0.000 2.385 101 A HA 0.620 4.940 4.320 0.000 0.000 0.290 101 A C -1.412 176.089 177.584 -0.139 0.000 1.094 101 A CA -0.508 51.506 52.037 -0.039 0.000 0.729 101 A CB 1.293 20.261 19.000 -0.054 0.000 1.194 101 A HN 0.714 nan 8.150 nan 0.000 0.442 102 E N 2.089 122.217 120.200 -0.121 0.000 2.272 102 E HA 0.606 4.956 4.350 0.000 0.000 0.269 102 E C -1.996 174.542 176.600 -0.103 0.000 0.877 102 E CA -0.523 55.769 56.400 -0.181 0.000 0.755 102 E CB 1.562 31.153 29.700 -0.182 0.000 1.192 102 E HN 0.550 nan 8.360 nan 0.000 0.422 103 F N 3.871 123.643 119.950 -0.298 0.000 2.467 103 F HA 0.508 5.035 4.527 0.000 0.000 0.336 103 F C -0.994 174.724 175.800 -0.136 0.000 1.123 103 F CA -0.578 57.311 58.000 -0.184 0.000 0.964 103 F CB 1.209 40.099 39.000 -0.184 0.000 1.136 103 F HN 0.302 nan 8.300 nan 0.000 0.447 104 K N 4.080 124.097 120.400 -0.638 0.000 2.443 104 K HA 0.594 4.914 4.320 0.000 0.000 0.252 104 K C -1.639 174.662 176.600 -0.499 0.000 0.933 104 K CA -0.625 55.414 56.287 -0.412 0.000 0.792 104 K CB 1.831 34.176 32.500 -0.258 0.000 1.185 104 K HN 0.589 nan 8.250 nan 0.000 0.425 105 S N 2.886 118.432 115.700 -0.256 0.000 2.647 105 S HA 0.660 5.130 4.470 0.000 0.000 0.300 105 S C 0.172 174.716 174.600 -0.093 0.000 1.129 105 S CA 0.477 58.575 58.200 -0.170 0.000 1.029 105 S CB 0.919 64.087 63.200 -0.053 0.000 1.007 105 S HN 1.074 nan 8.310 nan 0.000 0.484 106 G N 5.052 113.797 108.800 -0.091 0.000 2.583 106 G HA2 -0.293 3.667 3.960 0.000 0.000 0.292 106 G HA3 -0.293 3.667 3.960 0.000 0.000 0.292 106 G C 0.305 175.167 174.900 -0.065 0.000 1.203 106 G CA 0.437 45.497 45.100 -0.067 0.000 0.987 106 G HN 0.719 nan 8.290 nan 0.000 0.554 107 N N 0.380 119.052 118.700 -0.046 0.000 2.235 107 N HA 0.246 4.986 4.740 0.000 0.000 0.209 107 N C 0.104 175.595 175.510 -0.033 0.000 1.122 107 N CA 0.223 53.248 53.050 -0.043 0.000 0.845 107 N CB 0.637 39.105 38.487 -0.032 0.000 1.004 107 N HN 0.458 nan 8.380 nan 0.000 0.499 108 L N 1.032 122.241 121.223 -0.023 0.000 2.329 108 L HA 0.485 4.825 4.340 0.000 0.000 0.279 108 L C -0.171 176.706 176.870 0.011 0.000 1.014 108 L CA -0.416 54.431 54.840 0.012 0.000 0.814 108 L CB 1.631 43.718 42.059 0.046 0.000 1.257 108 L HN 0.009 nan 8.230 nan 0.000 0.424 109 S N 3.510 119.222 115.700 0.019 0.000 2.569 109 S HA 0.959 5.429 4.470 0.000 0.000 0.280 109 S C -0.882 173.700 174.600 -0.029 0.000 1.111 109 S CA -0.384 57.804 58.200 -0.020 0.000 0.887 109 S CB 1.668 64.800 63.200 -0.114 0.000 1.095 109 S HN 1.058 nan 8.310 nan 0.000 0.476 110 A N 1.859 124.610 122.820 -0.115 0.000 2.303 110 A HA 0.829 5.149 4.320 0.000 0.000 0.320 110 A C -0.207 177.052 177.584 -0.542 0.000 1.192 110 A CA -0.810 50.960 52.037 -0.446 0.000 0.821 110 A CB 0.942 19.710 19.000 -0.387 0.000 1.188 110 A HN 0.877 nan 8.150 nan 0.000 0.492 111 R N 2.482 122.644 120.500 -0.564 0.000 2.513 111 R HA 0.606 4.946 4.340 0.000 0.000 0.301 111 R C -1.785 174.240 176.300 -0.458 0.000 0.968 111 R CA -0.362 55.451 56.100 -0.478 0.000 0.872 111 R CB 1.743 31.771 30.300 -0.453 0.000 1.177 111 R HN 0.497 nan 8.270 nan 0.000 0.444 112 V N 2.938 122.608 119.914 -0.408 0.000 2.435 112 V HA 0.325 4.445 4.120 0.000 0.000 0.290 112 V C -0.065 175.878 176.094 -0.253 0.000 1.030 112 V CA -0.619 61.411 62.300 -0.449 0.000 0.881 112 V CB 1.804 33.358 31.823 -0.448 0.000 0.983 112 V HN 0.769 nan 8.190 nan 0.000 0.445 113 S N 4.714 120.234 115.700 -0.299 0.000 2.475 113 S HA 0.413 4.883 4.470 0.000 0.000 0.281 113 S C 0.100 174.611 174.600 -0.148 0.000 1.198 113 S CA -0.698 57.454 58.200 -0.079 0.000 1.063 113 S CB 0.647 63.839 63.200 -0.014 0.000 0.972 113 S HN 0.641 nan 8.310 nan 0.000 0.486 114 K N 1.460 121.801 120.400 -0.097 0.000 2.179 114 K HA 0.683 5.003 4.320 0.000 0.000 0.238 114 K C 0.949 177.538 176.600 -0.018 0.000 1.033 114 K CA -0.291 55.975 56.287 -0.035 0.000 0.926 114 K CB 0.317 32.790 32.500 -0.046 0.000 1.151 114 K HN 0.831 nan 8.250 nan 0.000 0.492 115 G N 0.677 109.482 108.800 0.009 0.000 2.568 115 G HA2 -0.316 3.644 3.960 0.000 0.000 0.222 115 G HA3 -0.316 3.644 3.960 0.000 0.000 0.222 115 G C 0.594 175.470 174.900 -0.039 0.000 1.321 115 G CA 0.384 45.473 45.100 -0.018 0.000 0.893 115 G HN 0.772 nan 8.290 nan 0.000 0.569 116 E N -0.772 119.324 120.200 -0.174 0.000 2.150 116 E HA 0.034 4.384 4.350 0.000 0.000 0.193 116 E C 0.375 176.659 176.600 -0.527 0.000 0.985 116 E CA 0.800 56.948 56.400 -0.419 0.000 0.814 116 E CB -0.062 29.211 29.700 -0.712 0.000 0.752 116 E HN 0.320 nan 8.360 nan 0.000 0.466 117 F N 1.353 121.346 119.950 0.071 0.000 2.291 117 F HA 0.206 4.733 4.527 0.000 0.000 0.368 117 F C 0.019 175.890 175.800 0.118 0.000 1.085 117 F CA -1.068 56.985 58.000 0.089 0.000 1.165 117 F CB 0.270 39.297 39.000 0.045 0.000 1.429 117 F HN 0.082 nan 8.300 nan 0.000 0.503 118 W N 3.522 124.895 121.300 0.122 0.000 2.158 118 W HA 0.416 5.076 4.660 0.000 0.000 0.339 118 W C -0.564 176.008 176.519 0.089 0.000 1.294 118 W CA 0.159 57.556 57.345 0.087 0.000 1.231 118 W CB 1.368 30.859 29.460 0.052 0.000 1.143 118 W HN 0.448 nan 8.180 nan 0.000 0.571 119 S N 6.583 121.887 115.700 -0.660 0.000 2.560 119 S HA 0.412 4.882 4.470 0.000 0.000 0.283 119 S C -1.990 172.269 174.600 -0.568 0.000 1.141 119 S CA -0.861 57.129 58.200 -0.349 0.000 0.902 119 S CB 0.743 63.879 63.200 -0.107 0.000 1.104 119 S HN 0.579 nan 8.310 nan 0.000 0.454 120 L N 4.257 125.318 121.223 -0.270 0.000 2.298 120 L HA 0.669 5.009 4.340 0.000 0.000 0.284 120 L C -1.402 175.323 176.870 -0.241 0.000 1.013 120 L CA -0.335 54.350 54.840 -0.258 0.000 0.824 120 L CB 0.947 43.016 42.059 0.017 0.000 1.221 120 L HN 0.713 nan 8.230 nan 0.000 0.418 121 D N 4.462 124.628 120.400 -0.390 0.000 2.575 121 D HA 0.400 5.040 4.640 0.000 0.000 0.236 121 D C -1.252 174.733 176.300 -0.525 0.000 1.075 121 D CA -0.097 53.708 54.000 -0.324 0.000 0.860 121 D CB 2.461 43.126 40.800 -0.226 0.000 1.475 121 D HN 0.194 nan 8.370 nan 0.000 0.474 122 F N 1.357 121.254 119.950 -0.088 0.000 2.467 122 F HA 0.371 4.898 4.527 0.000 0.000 0.336 122 F C -0.200 175.524 175.800 -0.126 0.000 1.123 122 F CA -0.795 57.147 58.000 -0.095 0.000 0.964 122 F CB 1.254 40.198 39.000 -0.094 0.000 1.136 122 F HN -0.056 nan 8.300 nan 0.000 0.447 123 L N 3.327 124.557 121.223 0.012 0.000 2.354 123 L HA 0.581 4.921 4.340 0.000 0.000 0.269 123 L C -0.347 176.511 176.870 -0.020 0.000 1.005 123 L CA -0.885 53.933 54.840 -0.037 0.000 0.819 123 L CB 1.882 43.882 42.059 -0.099 0.000 1.311 123 L HN 0.604 nan 8.230 nan 0.000 0.423 124 R N 2.812 123.297 120.500 -0.025 0.000 2.310 124 R HA 0.284 4.624 4.340 0.000 0.000 0.324 124 R C -0.394 175.887 176.300 -0.030 0.000 0.955 124 R CA -0.328 55.761 56.100 -0.018 0.000 0.830 124 R CB 0.580 30.879 30.300 -0.003 0.000 1.154 124 R HN 0.704 nan 8.270 nan 0.000 0.458 125 N N 2.846 121.523 118.700 -0.038 0.000 2.727 125 N HA -0.207 4.533 4.740 0.000 0.000 0.249 125 N C 0.555 176.033 175.510 -0.053 0.000 1.048 125 N CA 1.437 54.461 53.050 -0.043 0.000 0.714 125 N CB -1.027 37.441 38.487 -0.032 0.000 0.959 125 N HN 1.096 nan 8.380 nan 0.000 0.544 126 G N -1.414 107.344 108.800 -0.069 0.000 2.162 126 G HA2 -0.340 3.620 3.960 0.000 0.000 0.260 126 G HA3 -0.340 3.620 3.960 0.000 0.000 0.260 126 G C -0.117 174.735 174.900 -0.080 0.000 0.976 126 G CA 0.865 45.912 45.100 -0.087 0.000 0.655 126 G HN 0.550 nan 8.290 nan 0.000 0.533 127 E N -0.381 119.783 120.200 -0.060 0.000 2.212 127 E HA 0.616 4.966 4.350 0.000 0.000 0.268 127 E C 0.345 176.917 176.600 -0.047 0.000 0.902 127 E CA -1.108 55.263 56.400 -0.050 0.000 0.779 127 E CB 0.696 30.378 29.700 -0.031 0.000 1.172 127 E HN 0.294 nan 8.360 nan 0.000 0.409 128 R N 4.348 124.820 120.500 -0.047 0.000 2.343 128 R HA 0.136 4.476 4.340 0.000 0.000 0.326 128 R C 0.996 177.279 176.300 -0.028 0.000 1.055 128 R CA 0.199 56.275 56.100 -0.040 0.000 0.961 128 R CB -0.106 30.169 30.300 -0.041 0.000 0.978 128 R HN 0.701 nan 8.270 nan 0.000 0.443 129 I N -0.348 120.190 120.570 -0.052 0.000 3.265 129 I HA 0.257 4.427 4.170 0.000 0.000 0.282 129 I C 0.596 176.608 176.117 -0.175 0.000 1.207 129 I CA -0.086 61.156 61.300 -0.097 0.000 1.449 129 I CB 0.637 38.538 38.000 -0.166 0.000 1.121 129 I HN 0.472 nan 8.210 nan 0.000 0.442 130 T N -0.880 113.592 114.554 -0.136 0.000 2.663 130 T HA 0.638 4.988 4.350 0.000 0.000 0.305 130 T C -1.076 173.713 174.700 0.149 0.000 1.660 130 T CA 0.083 62.151 62.100 -0.055 0.000 0.976 130 T CB 1.224 69.943 68.868 -0.248 0.000 1.705 130 T HN 0.695 nan 8.240 nan 0.000 0.494 131 G N 0.531 109.462 108.800 0.218 0.000 2.320 131 G HA2 0.459 4.419 3.960 0.000 0.000 0.297 131 G HA3 0.459 4.419 3.960 0.000 0.000 0.297 131 G C -1.373 173.653 174.900 0.210 0.000 1.344 131 G CA 0.300 45.593 45.100 0.321 0.000 0.851 131 G HN 1.028 nan 8.290 nan 0.000 0.567 132 S N -0.530 115.291 115.700 0.201 0.000 2.456 132 S HA 0.592 5.062 4.470 0.000 0.000 0.316 132 S C 0.118 174.798 174.600 0.134 0.000 1.089 132 S CA -0.347 57.940 58.200 0.145 0.000 1.101 132 S CB 0.967 64.271 63.200 0.174 0.000 0.995 132 S HN 0.564 nan 8.310 nan 0.000 0.468 133 Q N 1.970 121.826 119.800 0.092 0.000 2.317 133 Q HA 0.348 4.688 4.340 0.000 0.000 0.229 133 Q C -0.086 175.997 176.000 0.138 0.000 0.984 133 Q CA -0.611 55.255 55.803 0.104 0.000 0.911 133 Q CB 1.134 29.902 28.738 0.050 0.000 1.217 133 Q HN 0.611 nan 8.270 nan 0.000 0.501 134 V N 2.615 122.649 119.914 0.201 0.000 2.644 134 V HA -0.147 3.973 4.120 0.000 0.000 0.305 134 V C 0.131 176.174 176.094 -0.085 0.000 1.053 134 V CA 1.190 63.581 62.300 0.151 0.000 1.186 134 V CB -0.437 31.502 31.823 0.194 0.000 0.895 134 V HN 0.831 nan 8.190 nan 0.000 0.490 135 K N 3.218 123.446 120.400 -0.287 0.000 3.391 135 K HA -0.153 4.167 4.320 0.000 0.000 0.307 135 K C 0.390 176.726 176.600 -0.441 0.000 1.304 135 K CA 0.996 56.878 56.287 -0.674 0.000 0.904 135 K CB -1.253 30.906 32.500 -0.567 0.000 1.293 135 K HN 0.771 nan 8.250 nan 0.000 0.470 136 N N 1.175 119.747 118.700 -0.213 0.000 2.238 136 N HA 0.038 4.778 4.740 0.000 0.000 0.222 136 N C -0.741 174.589 175.510 -0.300 0.000 1.133 136 N CA 0.115 53.118 53.050 -0.078 0.000 0.854 136 N CB 0.311 38.773 38.487 -0.041 0.000 1.041 136 N HN 0.505 nan 8.380 nan 0.000 0.510 137 N N -1.376 116.970 118.700 -0.590 0.000 2.927 137 N HA 0.693 5.433 4.740 0.000 0.000 0.248 137 N C 0.054 174.994 175.510 -0.950 0.000 1.443 137 N CA -0.355 52.025 53.050 -1.116 0.000 0.870 137 N CB 1.234 39.393 38.487 -0.547 0.000 1.444 137 N HN -0.007 nan 8.380 nan 0.000 0.519 138 G N -1.412 106.811 108.800 -0.962 0.000 2.302 138 G HA2 0.188 4.148 3.960 0.000 0.000 0.264 138 G HA3 0.188 4.148 3.960 0.000 0.000 0.264 138 G C -2.410 172.514 174.900 0.041 0.000 1.335 138 G CA -0.764 44.044 45.100 -0.485 0.000 0.982 138 G HN 0.750 nan 8.290 nan 0.000 0.473 139 Y N 0.180 120.554 120.300 0.124 0.000 2.377 139 Y HA 0.680 5.230 4.550 0.000 0.000 0.339 139 Y C -0.135 175.811 175.900 0.076 0.000 1.011 139 Y CA -0.878 57.283 58.100 0.102 0.000 1.093 139 Y CB 2.108 40.509 38.460 -0.098 0.000 1.201 139 Y HN 0.487 nan 8.280 nan 0.000 0.455 140 V N 6.478 126.234 119.914 -0.263 0.000 2.417 140 V HA 0.323 4.443 4.120 0.000 0.000 0.291 140 V C -0.728 175.065 176.094 -0.502 0.000 1.024 140 V CA -0.823 61.325 62.300 -0.253 0.000 0.861 140 V CB 1.511 33.274 31.823 -0.100 0.000 0.985 140 V HN 0.750 nan 8.190 nan 0.000 0.436 141 Q N 3.467 123.068 119.800 -0.331 0.000 2.413 141 Q HA 0.273 4.613 4.340 0.000 0.000 0.258 141 Q C -0.894 175.037 176.000 -0.116 0.000 1.037 141 Q CA -0.574 55.066 55.803 -0.272 0.000 0.764 141 Q CB 1.205 29.858 28.738 -0.143 0.000 1.217 141 Q HN 0.763 nan 8.270 nan 0.000 0.490 142 D N 3.014 123.374 120.400 -0.067 0.000 2.336 142 D HA 0.076 4.716 4.640 0.000 0.000 0.249 142 D C 0.113 176.401 176.300 -0.019 0.000 1.213 142 D CA 0.119 54.117 54.000 -0.003 0.000 0.870 142 D CB 1.626 42.495 40.800 0.114 0.000 1.076 142 D HN 0.576 nan 8.370 nan 0.000 0.483 143 T N 3.227 117.770 114.554 -0.018 0.000 3.043 143 T HA -0.036 4.314 4.350 0.000 0.000 0.263 143 T C 1.539 176.235 174.700 -0.007 0.000 1.094 143 T CA 0.276 62.369 62.100 -0.012 0.000 1.127 143 T CB 0.146 69.009 68.868 -0.010 0.000 0.905 143 T HN 0.422 nan 8.240 nan 0.000 0.490 144 N N 2.787 121.482 118.700 -0.007 0.000 2.216 144 N HA -0.063 4.677 4.740 0.000 0.000 0.183 144 N C 1.208 176.716 175.510 -0.002 0.000 1.017 144 N CA 1.177 54.223 53.050 -0.006 0.000 0.861 144 N CB -0.164 38.317 38.487 -0.010 0.000 0.986 144 N HN 0.611 nan 8.380 nan 0.000 0.428 145 N N -0.146 118.555 118.700 0.002 0.000 2.194 145 N HA 0.019 4.759 4.740 0.000 0.000 0.231 145 N C -0.590 174.913 175.510 -0.012 0.000 1.247 145 N CA -0.061 52.990 53.050 0.001 0.000 0.884 145 N CB 0.277 38.771 38.487 0.012 0.000 1.146 145 N HN -0.210 nan 8.380 nan 0.000 0.516 146 Q N -0.963 118.827 119.800 -0.016 0.000 2.480 146 Q HA -0.257 4.083 4.340 0.000 0.000 0.265 146 Q C -0.822 175.138 176.000 -0.068 0.000 1.072 146 Q CA 1.048 56.835 55.803 -0.027 0.000 1.018 146 Q CB -2.461 26.270 28.738 -0.012 0.000 1.433 146 Q HN 0.671 nan 8.270 nan 0.000 0.513 147 R N 0.749 121.185 120.500 -0.107 0.000 2.540 147 R HA 0.558 4.898 4.340 0.000 0.000 0.287 147 R C 0.049 176.086 176.300 -0.438 0.000 0.980 147 R CA -0.720 55.218 56.100 -0.270 0.000 0.966 147 R CB 0.942 31.067 30.300 -0.292 0.000 1.106 147 R HN 0.059 nan 8.270 nan 0.000 0.480 148 N N 1.814 120.147 118.700 -0.612 0.000 2.284 148 N HA 0.357 5.097 4.740 0.000 0.000 0.300 148 N C -1.349 173.661 175.510 -0.833 0.000 1.047 148 N CA -0.428 52.233 53.050 -0.648 0.000 0.821 148 N CB 1.826 40.079 38.487 -0.390 0.000 1.337 148 N HN 0.403 nan 8.380 nan 0.000 0.482 149 Y N 0.077 120.166 120.300 -0.351 0.000 2.576 149 Y HA 0.546 5.096 4.550 0.000 0.000 0.346 149 Y C 0.092 175.933 175.900 -0.099 0.000 1.018 149 Y CA -1.101 56.887 58.100 -0.186 0.000 1.050 149 Y CB 1.653 40.020 38.460 -0.155 0.000 1.280 149 Y HN 0.134 nan 8.280 nan 0.000 0.474 150 M N 2.966 122.683 119.600 0.195 0.000 2.456 150 M HA 0.470 4.950 4.480 0.000 0.000 0.324 150 M C -1.156 175.287 176.300 0.238 0.000 1.124 150 M CA -0.819 54.617 55.300 0.227 0.000 0.959 150 M CB 1.442 34.145 32.600 0.172 0.000 1.692 150 M HN 0.730 nan 8.290 nan 0.000 0.444 151 F N 0.357 120.303 119.950 -0.008 0.000 2.643 151 F HA 0.906 5.433 4.527 0.000 0.000 0.314 151 F C -1.137 174.550 175.800 -0.187 0.000 1.096 151 F CA -0.973 56.962 58.000 -0.108 0.000 0.953 151 F CB 1.608 40.520 39.000 -0.146 0.000 1.345 151 F HN 0.548 nan 8.300 nan 0.000 0.468 152 E N 0.753 120.646 120.200 -0.512 0.000 2.390 152 E HA 0.576 4.926 4.350 0.000 0.000 0.277 152 E C -1.847 174.307 176.600 -0.743 0.000 0.939 152 E CA -0.741 55.214 56.400 -0.742 0.000 0.769 152 E CB 2.046 31.225 29.700 -0.869 0.000 1.251 152 E HN 0.742 nan 8.360 nan 0.000 0.450 153 R N 3.334 123.570 120.500 -0.440 0.000 2.521 153 R HA 0.424 4.764 4.340 0.000 0.000 0.295 153 R C -0.758 175.458 176.300 -0.139 0.000 1.183 153 R CA -0.544 55.400 56.100 -0.259 0.000 0.957 153 R CB 0.919 31.171 30.300 -0.081 0.000 1.171 153 R HN 0.415 nan 8.270 nan 0.000 0.494 154 L N 3.144 124.318 121.223 -0.081 0.000 2.276 154 L HA 0.244 4.584 4.340 0.000 0.000 0.286 154 L C 0.160 177.094 176.870 0.107 0.000 1.061 154 L CA -0.706 54.184 54.840 0.084 0.000 0.807 154 L CB 0.813 42.999 42.059 0.211 0.000 1.177 154 L HN 0.401 nan 8.230 nan 0.000 0.429 155 D N 3.540 123.999 120.400 0.098 0.000 2.443 155 D HA 0.218 4.858 4.640 0.000 0.000 0.234 155 D C -0.237 176.133 176.300 0.116 0.000 1.172 155 D CA 0.572 54.620 54.000 0.080 0.000 0.878 155 D CB 0.915 41.754 40.800 0.065 0.000 1.204 155 D HN 0.251 nan 8.370 nan 0.000 0.453 156 L N 0.942 122.212 121.223 0.078 0.000 2.409 156 L HA 0.458 4.798 4.340 0.000 0.000 0.272 156 L C 0.886 177.790 176.870 0.056 0.000 0.980 156 L CA -0.778 54.112 54.840 0.083 0.000 0.826 156 L CB 2.110 44.189 42.059 0.033 0.000 1.268 156 L HN 0.354 nan 8.230 nan 0.000 0.407 157 G N 1.896 110.738 108.800 0.070 0.000 2.588 157 G HA2 0.423 4.383 3.960 0.000 0.000 0.281 157 G HA3 0.423 4.383 3.960 0.000 0.000 0.281 157 G C -0.203 174.715 174.900 0.030 0.000 1.236 157 G CA -0.523 44.605 45.100 0.047 0.000 0.969 157 G HN 0.279 nan 8.290 nan 0.000 0.504 158 V N 0.780 120.708 119.914 0.023 0.000 2.599 158 V HA 0.383 4.503 4.120 0.000 0.000 0.300 158 V C 1.631 177.738 176.094 0.021 0.000 1.034 158 V CA 1.619 63.929 62.300 0.017 0.000 1.115 158 V CB 0.395 32.226 31.823 0.013 0.000 0.934 158 V HN 1.766 nan 8.190 nan 0.000 0.485 159 G N 3.587 112.400 108.800 0.021 0.000 2.155 159 G HA2 -0.283 3.677 3.960 0.000 0.000 0.257 159 G HA3 -0.283 3.677 3.960 0.000 0.000 0.257 159 G C 0.193 175.099 174.900 0.010 0.000 0.983 159 G CA 0.482 45.597 45.100 0.025 0.000 0.676 159 G HN 0.818 nan 8.290 nan 0.000 0.528 160 E N 1.316 121.522 120.200 0.009 0.000 2.259 160 E HA 0.515 4.865 4.350 0.000 0.000 0.281 160 E C 0.582 177.151 176.600 -0.050 0.000 1.037 160 E CA 0.209 56.612 56.400 0.004 0.000 0.854 160 E CB 0.451 30.177 29.700 0.043 0.000 1.051 160 E HN 0.372 nan 8.360 nan 0.000 0.409 161 T N 0.458 114.962 114.554 -0.084 0.000 2.856 161 T HA 0.522 4.872 4.350 0.000 0.000 0.283 161 T C -0.291 174.238 174.700 -0.285 0.000 1.008 161 T CA -0.911 61.049 62.100 -0.233 0.000 0.997 161 T CB 1.504 70.157 68.868 -0.359 0.000 0.992 161 T HN 0.148 nan 8.240 nan 0.000 0.454 162 V N 2.970 122.607 119.914 -0.462 0.000 2.532 162 V HA 0.586 4.706 4.120 0.000 0.000 0.295 162 V C -1.061 174.610 176.094 -0.705 0.000 1.041 162 V CA -0.710 61.339 62.300 -0.418 0.000 0.926 162 V CB 0.770 32.355 31.823 -0.397 0.000 0.992 162 V HN 0.936 nan 8.190 nan 0.000 0.457 163 Y N 1.144 121.316 120.300 -0.214 0.000 2.638 163 Y HA 0.817 5.367 4.550 0.000 0.000 0.339 163 Y C 0.808 176.572 175.900 -0.227 0.000 1.084 163 Y CA 0.272 58.246 58.100 -0.211 0.000 1.068 163 Y CB 2.098 40.442 38.460 -0.194 0.000 1.294 163 Y HN 0.975 nan 8.280 nan 0.000 0.480 164 G N 0.108 108.883 108.800 -0.042 0.000 2.481 164 G HA2 -0.189 3.771 3.960 0.000 0.000 0.230 164 G HA3 -0.189 3.771 3.960 0.000 0.000 0.230 164 G C -0.232 174.565 174.900 -0.172 0.000 1.210 164 G CA -0.215 44.825 45.100 -0.101 0.000 0.936 164 G HN 1.265 nan 8.290 nan 0.000 0.583 165 L N -0.389 120.734 121.223 -0.167 0.000 4.192 165 L HA 0.063 4.403 4.340 0.000 0.000 0.403 165 L C 1.381 178.169 176.870 -0.136 0.000 1.163 165 L CA 1.325 56.037 54.840 -0.214 0.000 0.937 165 L CB -1.743 40.100 42.059 -0.360 0.000 2.134 165 L HN 2.969 nan 8.230 nan 0.000 0.754 166 G N 0.174 108.912 108.800 -0.103 0.000 2.610 166 G HA2 -0.191 3.769 3.960 0.000 0.000 0.304 166 G HA3 -0.191 3.769 3.960 0.000 0.000 0.304 166 G C -0.427 174.317 174.900 -0.260 0.000 1.309 166 G CA 0.087 45.100 45.100 -0.144 0.000 0.906 166 G HN 0.389 nan 8.290 nan 0.000 0.521 167 E N 0.957 120.952 120.200 -0.343 0.000 1.941 167 E HA 0.394 4.744 4.350 0.000 0.000 0.275 167 E C 0.593 176.798 176.600 -0.658 0.000 1.113 167 E CA -0.288 55.822 56.400 -0.483 0.000 0.878 167 E CB -0.003 29.446 29.700 -0.417 0.000 1.070 167 E HN 0.477 nan 8.360 nan 0.000 0.399 168 R N 3.122 123.231 120.500 -0.651 0.000 2.787 168 R HA 0.345 4.685 4.340 0.000 0.000 0.271 168 R C -0.126 175.707 176.300 -0.778 0.000 0.993 168 R CA -0.677 55.037 56.100 -0.643 0.000 0.993 168 R CB 0.770 30.885 30.300 -0.309 0.000 1.155 168 R HN 0.473 nan 8.270 nan 0.000 0.486 169 F N -0.471 119.452 119.950 -0.044 0.000 2.682 169 F HA 0.068 4.595 4.527 0.000 0.000 0.308 169 F C 1.365 177.148 175.800 -0.028 0.000 1.093 169 F CA -0.388 57.599 58.000 -0.021 0.000 1.244 169 F CB 0.251 39.259 39.000 0.014 0.000 1.052 169 F HN 0.483 nan 8.300 nan 0.000 0.573 170 T N -0.843 113.745 114.554 0.056 0.000 2.729 170 T HA 0.591 4.941 4.350 0.000 0.000 0.298 170 T C 0.753 175.444 174.700 -0.015 0.000 1.013 170 T CA -0.555 61.557 62.100 0.020 0.000 0.957 170 T CB 0.613 69.472 68.868 -0.015 0.000 1.130 170 T HN 0.175 nan 8.240 nan 0.000 0.526 171 A N 0.475 123.280 122.820 -0.026 0.000 2.587 171 A HA 0.207 4.527 4.320 0.000 0.000 0.235 171 A C 1.408 178.956 177.584 -0.061 0.000 1.044 171 A CA -0.392 51.626 52.037 -0.031 0.000 0.754 171 A CB -0.634 18.349 19.000 -0.028 0.000 0.968 171 A HN 0.973 nan 8.150 nan 0.000 0.509 172 L N 3.933 125.130 121.223 -0.044 0.000 2.043 172 L HA -0.092 4.248 4.340 0.000 0.000 0.212 172 L C 1.034 177.809 176.870 -0.157 0.000 1.075 172 L CA 1.829 56.632 54.840 -0.060 0.000 0.752 172 L CB -0.314 41.752 42.059 0.012 0.000 0.891 172 L HN 0.467 nan 8.230 nan 0.000 0.432 173 V N 1.961 121.758 119.914 -0.194 0.000 2.405 173 V HA 0.108 4.228 4.120 0.000 0.000 0.264 173 V C 1.330 177.250 176.094 -0.289 0.000 1.048 173 V CA -0.449 61.600 62.300 -0.418 0.000 0.966 173 V CB 0.832 32.457 31.823 -0.331 0.000 1.015 173 V HN 0.334 nan 8.190 nan 0.000 0.477 174 R N 2.731 123.015 120.500 -0.359 0.000 2.193 174 R HA -0.046 4.294 4.340 0.000 0.000 0.229 174 R C 0.467 176.640 176.300 -0.210 0.000 1.110 174 R CA 0.176 56.117 56.100 -0.265 0.000 0.988 174 R CB -0.697 29.417 30.300 -0.310 0.000 0.871 174 R HN 0.655 nan 8.270 nan 0.000 0.458 175 N N 0.781 119.352 118.700 -0.215 0.000 2.315 175 N HA 0.059 4.799 4.740 0.000 0.000 0.270 175 N C 1.056 176.507 175.510 -0.098 0.000 1.329 175 N CA 1.513 54.475 53.050 -0.147 0.000 0.860 175 N CB 0.137 38.555 38.487 -0.114 0.000 1.095 175 N HN 0.402 nan 8.380 nan 0.000 0.487 176 G N 0.820 109.566 108.800 -0.091 0.000 2.195 176 G HA2 -0.230 3.730 3.960 0.000 0.000 0.224 176 G HA3 -0.230 3.730 3.960 0.000 0.000 0.224 176 G C -0.224 174.636 174.900 -0.067 0.000 0.990 176 G CA 0.215 45.273 45.100 -0.071 0.000 0.639 176 G HN 0.753 nan 8.290 nan 0.000 0.514 177 Q N 0.188 119.942 119.800 -0.076 0.000 2.387 177 Q HA 0.753 5.093 4.340 0.000 0.000 0.273 177 Q C -0.888 175.083 176.000 -0.048 0.000 1.089 177 Q CA -0.712 55.055 55.803 -0.061 0.000 0.824 177 Q CB 1.778 30.477 28.738 -0.064 0.000 1.367 177 Q HN 0.090 nan 8.270 nan 0.000 0.443 178 T N 1.446 115.984 114.554 -0.027 0.000 2.837 178 T HA 0.492 4.842 4.350 0.000 0.000 0.285 178 T C -0.532 174.180 174.700 0.020 0.000 0.984 178 T CA -0.638 61.463 62.100 0.001 0.000 1.049 178 T CB 1.256 70.119 68.868 -0.009 0.000 0.947 178 T HN 0.570 nan 8.240 nan 0.000 0.472 179 V N 1.193 121.152 119.914 0.074 0.000 2.733 179 V HA 0.629 4.749 4.120 0.000 0.000 0.306 179 V C -1.221 174.988 176.094 0.192 0.000 1.084 179 V CA -0.874 61.477 62.300 0.085 0.000 0.905 179 V CB 2.238 34.062 31.823 0.001 0.000 1.010 179 V HN 0.774 nan 8.190 nan 0.000 0.424 180 E N 3.592 123.891 120.200 0.166 0.000 2.134 180 E HA 0.323 4.673 4.350 0.000 0.000 0.278 180 E C 0.045 176.817 176.600 0.288 0.000 0.959 180 E CA -0.304 56.222 56.400 0.211 0.000 0.783 180 E CB 1.759 31.537 29.700 0.130 0.000 1.095 180 E HN 0.951 nan 8.360 nan 0.000 0.399 181 T N 0.886 115.660 114.554 0.368 0.000 3.455 181 T HA 0.209 4.559 4.350 0.000 0.000 0.286 181 T C -0.273 174.727 174.700 0.500 0.000 1.157 181 T CA -0.721 61.608 62.100 0.381 0.000 1.090 181 T CB -0.293 68.826 68.868 0.417 0.000 1.112 181 T HN 0.428 nan 8.240 nan 0.000 0.779 182 W N 3.993 125.411 121.300 0.198 0.000 2.802 182 W HA 0.304 4.964 4.660 0.000 0.000 0.331 182 W C -1.299 175.392 176.519 0.286 0.000 1.021 182 W CA -1.023 56.470 57.345 0.247 0.000 1.259 182 W CB 1.317 30.862 29.460 0.142 0.000 1.323 182 W HN 0.345 nan 8.180 nan 0.000 0.432 183 N N 5.387 124.149 118.700 0.103 0.000 2.411 183 N HA 0.100 4.840 4.740 0.000 0.000 0.261 183 N C -0.204 175.392 175.510 0.144 0.000 1.248 183 N CA 0.694 53.782 53.050 0.064 0.000 0.885 183 N CB 0.607 39.046 38.487 -0.080 0.000 1.062 183 N HN 0.357 nan 8.380 nan 0.000 0.471 184 R N 0.485 121.086 120.500 0.170 0.000 2.836 184 R HA 0.275 4.615 4.340 0.000 0.000 0.269 184 R C -1.084 175.302 176.300 0.142 0.000 1.010 184 R CA -0.824 55.401 56.100 0.208 0.000 0.930 184 R CB 1.551 31.986 30.300 0.225 0.000 1.218 184 R HN 0.354 nan 8.270 nan 0.000 0.473 185 D N 0.777 121.302 120.400 0.207 0.000 2.493 185 D HA 0.233 4.873 4.640 0.000 0.000 0.235 185 D C 0.014 176.386 176.300 0.119 0.000 1.117 185 D CA -0.081 54.062 54.000 0.238 0.000 0.930 185 D CB 0.832 41.840 40.800 0.345 0.000 1.010 185 D HN 0.779 nan 8.370 nan 0.000 0.514 186 G N 1.291 110.030 108.800 -0.102 0.000 3.596 186 G HA2 0.505 4.465 3.960 0.000 0.000 0.274 186 G HA3 0.505 4.465 3.960 0.000 0.000 0.274 186 G C 0.791 175.659 174.900 -0.053 0.000 1.007 186 G CA 0.178 45.263 45.100 -0.025 0.000 0.825 186 G HN 0.810 nan 8.290 nan 0.000 0.508 187 G N 0.100 108.841 108.800 -0.098 0.000 2.568 187 G HA2 0.065 4.025 3.960 0.000 0.000 0.222 187 G HA3 0.065 4.025 3.960 0.000 0.000 0.222 187 G C 0.669 175.438 174.900 -0.219 0.000 1.321 187 G CA 0.600 45.707 45.100 0.011 0.000 0.893 187 G HN 1.244 nan 8.290 nan 0.000 0.569 188 T N -4.136 110.239 114.554 -0.297 0.000 3.111 188 T HA 0.550 4.900 4.350 0.000 0.000 0.284 188 T C 1.212 175.554 174.700 -0.596 0.000 0.983 188 T CA 1.196 62.697 62.100 -0.999 0.000 0.900 188 T CB 0.448 68.758 68.868 -0.930 0.000 1.132 188 T HN 1.064 nan 8.240 nan 0.000 0.531 189 S N 1.901 117.468 115.700 -0.222 0.000 2.602 189 S HA 0.323 4.793 4.470 0.000 0.000 0.240 189 S C 0.727 175.314 174.600 -0.021 0.000 0.992 189 S CA -0.094 58.043 58.200 -0.105 0.000 0.971 189 S CB 0.429 63.539 63.200 -0.150 0.000 0.855 189 S HN 0.894 nan 8.310 nan 0.000 0.481 190 T N -0.840 113.728 114.554 0.025 0.000 2.669 190 T HA 0.363 4.713 4.350 0.000 0.000 0.283 190 T C 0.676 175.436 174.700 0.101 0.000 1.019 190 T CA -0.647 61.484 62.100 0.052 0.000 1.039 190 T CB 1.184 70.074 68.868 0.036 0.000 1.374 190 T HN -0.019 nan 8.240 nan 0.000 0.523 191 E N 0.167 120.409 120.200 0.069 0.000 2.478 191 E HA -0.037 4.313 4.350 0.000 0.000 0.198 191 E C 0.200 176.841 176.600 0.068 0.000 1.046 191 E CA 0.342 56.779 56.400 0.061 0.000 0.870 191 E CB -0.121 29.602 29.700 0.038 0.000 0.818 191 E HN 0.727 nan 8.360 nan 0.000 0.527 192 Q N 0.422 120.268 119.800 0.075 0.000 2.382 192 Q HA 0.562 4.902 4.340 0.000 0.000 0.229 192 Q C -0.447 175.575 176.000 0.037 0.000 1.006 192 Q CA -0.045 55.795 55.803 0.061 0.000 0.916 192 Q CB 1.313 30.079 28.738 0.047 0.000 1.235 192 Q HN 0.244 nan 8.270 nan 0.000 0.512 193 A N 0.296 123.109 122.820 -0.011 0.000 2.594 193 A HA 0.457 4.777 4.320 0.000 0.000 0.295 193 A C -1.178 176.362 177.584 -0.073 0.000 1.071 193 A CA -0.681 51.318 52.037 -0.065 0.000 0.685 193 A CB 0.502 19.459 19.000 -0.071 0.000 1.285 193 A HN 0.748 nan 8.150 nan 0.000 0.405 194 Y N 0.599 120.935 120.300 0.059 0.000 2.397 194 Y HA 0.146 4.697 4.550 0.000 0.000 0.292 194 Y C 0.672 176.547 175.900 -0.042 0.000 1.115 194 Y CA 1.047 59.143 58.100 -0.006 0.000 1.208 194 Y CB 0.237 38.645 38.460 -0.087 0.000 1.046 194 Y HN 0.496 nan 8.280 nan 0.000 0.552 195 K N 1.640 122.084 120.400 0.073 0.000 2.521 195 K HA 0.264 4.584 4.320 0.000 0.000 0.248 195 K C -1.073 175.497 176.600 -0.050 0.000 0.978 195 K CA -0.328 55.933 56.287 -0.043 0.000 0.947 195 K CB 0.837 33.195 32.500 -0.237 0.000 1.165 195 K HN 0.049 nan 8.250 nan 0.000 0.445 196 N N 3.850 122.575 118.700 0.042 0.000 2.430 196 N HA 0.405 5.145 4.740 0.000 0.000 0.292 196 N C -0.754 174.827 175.510 0.119 0.000 1.051 196 N CA -0.438 52.660 53.050 0.080 0.000 0.917 196 N CB 1.611 40.196 38.487 0.163 0.000 1.164 196 N HN 0.336 nan 8.380 nan 0.000 0.484 197 I N 3.236 123.864 120.570 0.097 0.000 2.500 197 I HA 0.234 4.404 4.170 0.000 0.000 0.286 197 I C -2.192 174.005 176.117 0.133 0.000 1.063 197 I CA -2.020 59.356 61.300 0.127 0.000 1.062 197 I CB 2.132 40.213 38.000 0.134 0.000 1.223 197 I HN 0.213 nan 8.210 nan 0.000 0.435 198 P HA 0.133 nan 4.420 nan 0.000 0.228 198 P C -0.623 176.838 177.300 0.267 0.000 1.748 198 P CA 0.154 63.460 63.100 0.343 0.000 0.909 198 P CB -0.506 31.505 31.700 0.517 0.000 1.882 199 F N 2.857 122.753 119.950 -0.090 0.000 2.540 199 F HA 0.563 5.090 4.527 0.000 0.000 0.317 199 F C -1.339 174.333 175.800 -0.212 0.000 1.104 199 F CA -1.316 56.556 58.000 -0.213 0.000 0.913 199 F CB 1.577 40.299 39.000 -0.464 0.000 1.170 199 F HN -0.020 nan 8.300 nan 0.000 0.450 200 Y N 5.321 124.945 120.300 -1.126 0.000 2.588 200 Y HA 0.807 5.357 4.550 0.000 0.000 0.343 200 Y C -1.444 173.811 175.900 -1.076 0.000 1.065 200 Y CA -1.850 55.696 58.100 -0.922 0.000 1.038 200 Y CB 1.584 39.707 38.460 -0.562 0.000 1.297 200 Y HN 0.818 nan 8.280 nan 0.000 0.467 201 M N 1.590 120.906 119.600 -0.473 0.000 2.575 201 M HA 0.851 5.331 4.480 0.000 0.000 0.284 201 M C -1.278 174.930 176.300 -0.154 0.000 1.253 201 M CA -0.639 54.389 55.300 -0.454 0.000 0.861 201 M CB 2.573 34.924 32.600 -0.415 0.000 1.733 201 M HN 0.907 nan 8.290 nan 0.000 0.462 202 T N -2.268 112.102 114.554 -0.306 0.000 2.883 202 T HA 0.465 4.815 4.350 0.000 0.000 0.284 202 T C 0.265 174.903 174.700 -0.103 0.000 1.041 202 T CA -0.617 61.400 62.100 -0.139 0.000 1.007 202 T CB 1.061 69.761 68.868 -0.279 0.000 1.220 202 T HN 0.840 nan 8.240 nan 0.000 0.552 203 N N -0.307 118.399 118.700 0.009 0.000 2.362 203 N HA 0.027 4.768 4.740 0.000 0.000 0.211 203 N C 0.776 176.274 175.510 -0.020 0.000 1.170 203 N CA -0.282 52.754 53.050 -0.024 0.000 0.828 203 N CB -0.266 38.235 38.487 0.023 0.000 1.034 203 N HN 0.753 nan 8.380 nan 0.000 0.475 204 R N -0.178 120.303 120.500 -0.031 0.000 2.472 204 R HA 0.205 4.545 4.340 0.000 0.000 0.279 204 R C 0.449 176.810 176.300 0.102 0.000 0.953 204 R CA 0.505 56.650 56.100 0.074 0.000 1.088 204 R CB -0.114 30.318 30.300 0.220 0.000 1.197 204 R HN 0.196 nan 8.270 nan 0.000 0.536 205 G N 0.889 109.681 108.800 -0.013 0.000 2.147 205 G HA2 -0.317 3.643 3.960 0.000 0.000 0.244 205 G HA3 -0.317 3.643 3.960 0.000 0.000 0.244 205 G C -0.529 174.416 174.900 0.075 0.000 1.005 205 G CA 0.770 45.877 45.100 0.012 0.000 0.713 205 G HN 0.516 nan 8.290 nan 0.000 0.515 206 Y N -2.076 118.200 120.300 -0.041 0.000 2.588 206 Y HA 0.798 5.348 4.550 0.000 0.000 0.343 206 Y C 0.229 176.050 175.900 -0.133 0.000 1.065 206 Y CA -1.249 56.814 58.100 -0.062 0.000 1.038 206 Y CB 1.034 39.459 38.460 -0.058 0.000 1.297 206 Y HN 0.693 nan 8.280 nan 0.000 0.467 207 G N 0.302 109.053 108.800 -0.081 0.000 2.658 207 G HA2 0.656 4.616 3.960 0.000 0.000 0.292 207 G HA3 0.656 4.616 3.960 0.000 0.000 0.292 207 G C -1.808 172.924 174.900 -0.279 0.000 1.320 207 G CA -0.707 44.154 45.100 -0.397 0.000 0.933 207 G HN 1.577 nan 8.290 nan 0.000 0.476 208 V N -0.810 118.702 119.914 -0.669 0.000 2.733 208 V HA 0.809 4.929 4.120 0.000 0.000 0.306 208 V C -1.650 174.331 176.094 -0.188 0.000 1.084 208 V CA -1.013 61.088 62.300 -0.332 0.000 0.905 208 V CB 1.512 33.110 31.823 -0.376 0.000 1.010 208 V HN 1.007 nan 8.190 nan 0.000 0.424 209 L N 6.525 127.890 121.223 0.237 0.000 2.305 209 L HA 0.760 5.100 4.340 0.000 0.000 0.284 209 L C -0.506 176.563 176.870 0.331 0.000 1.013 209 L CA -0.168 54.899 54.840 0.377 0.000 0.819 209 L CB 1.800 44.194 42.059 0.558 0.000 1.227 209 L HN 0.655 nan 8.230 nan 0.000 0.417 210 V N 4.855 124.910 119.914 0.235 0.000 2.389 210 V HA 0.179 4.299 4.120 0.000 0.000 0.264 210 V C 0.597 176.910 176.094 0.365 0.000 1.049 210 V CA -0.411 61.997 62.300 0.179 0.000 0.932 210 V CB 0.501 32.320 31.823 -0.006 0.000 1.011 210 V HN 0.814 nan 8.190 nan 0.000 0.475 211 N N 4.250 123.143 118.700 0.321 0.000 3.103 211 N HA 0.076 4.816 4.740 0.000 0.000 0.305 211 N C -0.554 174.875 175.510 -0.136 0.000 1.232 211 N CA 0.120 53.352 53.050 0.303 0.000 1.190 211 N CB -0.607 38.116 38.487 0.393 0.000 1.461 211 N HN 0.796 nan 8.380 nan 0.000 0.538 212 H N -0.070 119.190 119.070 0.317 0.000 3.181 212 H HA 0.242 4.798 4.556 0.000 0.000 0.331 212 H C -1.889 173.449 175.328 0.016 0.000 0.988 212 H CA -1.333 54.777 56.048 0.103 0.000 1.449 212 H CB 1.980 31.797 29.762 0.092 0.000 1.749 212 H HN 0.220 nan 8.280 nan 0.000 0.501 213 P HA -0.183 nan 4.420 nan 0.000 0.217 213 P C 0.743 178.127 177.300 0.140 0.000 1.150 213 P CA 0.941 63.873 63.100 -0.279 0.000 0.832 213 P CB 0.369 31.784 31.700 -0.476 0.000 0.787 214 Q N -0.126 119.788 119.800 0.191 0.000 2.870 214 Q HA -0.053 4.287 4.340 0.000 0.000 0.193 214 Q C 0.230 176.474 176.000 0.407 0.000 1.148 214 Q CA 0.020 56.019 55.803 0.326 0.000 1.212 214 Q CB -0.900 27.977 28.738 0.231 0.000 1.290 214 Q HN 0.034 nan 8.270 nan 0.000 0.686 215 C N 1.063 120.616 119.300 0.421 0.000 2.576 215 C HA 0.419 4.879 4.460 0.000 0.000 0.401 215 C C -0.128 174.968 174.990 0.177 0.000 1.314 215 C CA -0.407 58.816 59.018 0.341 0.000 1.855 215 C CB -0.923 26.844 27.740 0.045 0.000 2.537 215 C HN 0.437 nan 8.230 nan 0.000 0.578 216 V N 6.884 126.922 119.914 0.207 0.000 2.384 216 V HA 0.362 4.482 4.120 0.000 0.000 0.287 216 V C 0.333 176.437 176.094 0.017 0.000 1.020 216 V CA -0.087 62.246 62.300 0.055 0.000 0.850 216 V CB 1.688 33.537 31.823 0.044 0.000 0.987 216 V HN 0.922 nan 8.190 nan 0.000 0.436 217 S N 5.516 121.164 115.700 -0.087 0.000 2.411 217 S HA 0.608 5.079 4.470 0.000 0.000 0.294 217 S C -0.787 173.752 174.600 -0.102 0.000 1.115 217 S CA -0.381 57.792 58.200 -0.046 0.000 1.071 217 S CB -0.253 62.890 63.200 -0.095 0.000 0.967 217 S HN 0.388 nan 8.310 nan 0.000 0.488 218 F N 3.173 123.155 119.950 0.052 0.000 2.420 218 F HA 0.433 4.960 4.527 0.000 0.000 0.342 218 F C 0.832 176.617 175.800 -0.025 0.000 1.113 218 F CA -0.630 57.398 58.000 0.046 0.000 1.059 218 F CB 1.348 40.361 39.000 0.022 0.000 1.128 218 F HN 0.401 nan 8.300 nan 0.000 0.475 219 E N 3.509 123.784 120.200 0.125 0.000 2.346 219 E HA 0.217 4.567 4.350 0.000 0.000 0.239 219 E C -0.932 175.667 176.600 -0.000 0.000 0.943 219 E CA -0.331 56.081 56.400 0.020 0.000 0.751 219 E CB 1.747 31.423 29.700 -0.041 0.000 1.241 219 E HN 0.258 nan 8.360 nan 0.000 0.423 220 V N 1.783 121.679 119.914 -0.031 0.000 2.287 220 V HA 0.213 4.333 4.120 0.000 0.000 0.246 220 V C 1.391 177.421 176.094 -0.106 0.000 1.165 220 V CA 0.459 62.693 62.300 -0.110 0.000 1.088 220 V CB -0.014 31.695 31.823 -0.189 0.000 1.242 220 V HN 0.913 nan 8.190 nan 0.000 0.497 221 G N 4.297 113.043 108.800 -0.089 0.000 2.168 221 G HA2 -0.306 3.654 3.960 0.000 0.000 0.257 221 G HA3 -0.306 3.654 3.960 0.000 0.000 0.257 221 G C 0.865 175.722 174.900 -0.072 0.000 0.997 221 G CA 0.715 45.768 45.100 -0.079 0.000 0.708 221 G HN 0.922 nan 8.290 nan 0.000 0.520 222 S N -1.634 114.025 115.700 -0.069 0.000 2.492 222 S HA 0.309 4.779 4.470 0.000 0.000 0.218 222 S C 1.512 176.069 174.600 -0.071 0.000 1.016 222 S CA 1.012 59.173 58.200 -0.065 0.000 0.916 222 S CB 0.549 63.715 63.200 -0.057 0.000 0.791 222 S HN 0.576 nan 8.310 nan 0.000 0.513 223 E N 0.834 120.987 120.200 -0.079 0.000 2.192 223 E HA 0.163 4.513 4.350 0.000 0.000 0.196 223 E C -0.446 176.097 176.600 -0.096 0.000 0.922 223 E CA 0.223 56.567 56.400 -0.093 0.000 0.924 223 E CB 0.472 30.105 29.700 -0.111 0.000 0.911 223 E HN 0.039 nan 8.360 nan 0.000 0.478 224 K N 2.158 122.504 120.400 -0.090 0.000 2.334 224 K HA 0.124 4.444 4.320 0.000 0.000 0.265 224 K C 0.988 177.543 176.600 -0.075 0.000 1.039 224 K CA -0.066 56.168 56.287 -0.088 0.000 0.920 224 K CB 1.604 34.056 32.500 -0.080 0.000 1.160 224 K HN 0.159 nan 8.250 nan 0.000 0.451 225 V N 0.571 120.441 119.914 -0.074 0.000 2.546 225 V HA -0.217 3.903 4.120 0.000 0.000 0.254 225 V C 1.170 177.232 176.094 -0.054 0.000 1.076 225 V CA 2.195 64.457 62.300 -0.063 0.000 1.087 225 V CB -0.667 31.120 31.823 -0.059 0.000 0.674 225 V HN 0.619 nan 8.190 nan 0.000 0.470 226 S N -1.282 114.388 115.700 -0.049 0.000 2.574 226 S HA 0.511 4.981 4.470 0.000 0.000 0.242 226 S C 0.040 174.627 174.600 -0.022 0.000 0.982 226 S CA -0.659 57.522 58.200 -0.032 0.000 0.977 226 S CB -0.176 63.009 63.200 -0.026 0.000 0.814 226 S HN 0.725 nan 8.310 nan 0.000 0.464 227 K N 0.141 120.520 120.400 -0.035 0.000 2.512 227 K HA 0.607 4.927 4.320 0.000 0.000 0.263 227 K C -1.610 174.964 176.600 -0.045 0.000 0.966 227 K CA -0.668 55.604 56.287 -0.025 0.000 0.851 227 K CB 2.395 34.876 32.500 -0.032 0.000 1.395 227 K HN -0.005 nan 8.250 nan 0.000 0.440 228 V N 2.582 122.479 119.914 -0.028 0.000 2.294 228 V HA 0.239 4.359 4.120 0.000 0.000 0.272 228 V C -0.439 175.650 176.094 -0.009 0.000 1.027 228 V CA -0.505 61.769 62.300 -0.044 0.000 0.823 228 V CB 0.942 32.673 31.823 -0.154 0.000 1.030 228 V HN 0.617 nan 8.190 nan 0.000 0.457 229 Q N 5.258 125.036 119.800 -0.036 0.000 2.243 229 Q HA 0.617 4.957 4.340 0.000 0.000 0.252 229 Q C -1.448 174.518 176.000 -0.056 0.000 0.909 229 Q CA -0.540 55.181 55.803 -0.136 0.000 0.922 229 Q CB 1.362 30.044 28.738 -0.094 0.000 1.215 229 Q HN 0.695 nan 8.270 nan 0.000 0.427 230 F N 0.511 120.389 119.950 -0.121 0.000 2.573 230 F HA 0.633 5.160 4.527 0.000 0.000 0.316 230 F C -1.074 174.605 175.800 -0.202 0.000 1.148 230 F CA -0.940 56.849 58.000 -0.352 0.000 0.940 230 F CB 1.290 39.880 39.000 -0.682 0.000 1.214 230 F HN 0.407 nan 8.300 nan 0.000 0.448 231 S N 2.399 118.083 115.700 -0.026 0.000 2.568 231 S HA 0.915 5.385 4.470 0.000 0.000 0.293 231 S C -1.525 173.058 174.600 -0.029 0.000 1.089 231 S CA -0.872 57.330 58.200 0.002 0.000 0.945 231 S CB 1.951 65.093 63.200 -0.097 0.000 1.077 231 S HN 1.389 nan 8.310 nan 0.000 0.485 232 V N 0.759 120.680 119.914 0.012 0.000 2.932 232 V HA 0.494 4.614 4.120 0.000 0.000 0.307 232 V C -1.046 175.086 176.094 0.063 0.000 1.147 232 V CA -0.700 61.578 62.300 -0.037 0.000 0.951 232 V CB 1.959 33.593 31.823 -0.315 0.000 1.031 232 V HN 1.119 nan 8.190 nan 0.000 0.426 233 E N 3.591 123.838 120.200 0.078 0.000 1.944 233 E HA 0.507 4.857 4.350 0.000 0.000 0.272 233 E C -0.509 176.001 176.600 -0.150 0.000 1.195 233 E CA 0.278 56.608 56.400 -0.116 0.000 0.926 233 E CB 0.432 30.034 29.700 -0.164 0.000 1.051 233 E HN 0.726 nan 8.360 nan 0.000 0.404 234 S N 2.868 118.480 115.700 -0.147 0.000 2.611 234 S HA 0.156 4.626 4.470 0.000 0.000 0.268 234 S C -0.295 174.320 174.600 0.024 0.000 1.156 234 S CA -0.683 57.439 58.200 -0.129 0.000 0.817 234 S CB 1.376 64.347 63.200 -0.382 0.000 1.122 234 S HN 0.486 nan 8.310 nan 0.000 0.466 235 E N 0.696 120.977 120.200 0.135 0.000 2.474 235 E HA 0.218 4.568 4.350 0.000 0.000 0.195 235 E C -0.818 175.985 176.600 0.340 0.000 1.039 235 E CA 0.344 56.916 56.400 0.286 0.000 0.881 235 E CB 0.291 30.172 29.700 0.303 0.000 0.970 235 E HN 0.556 nan 8.360 nan 0.000 0.486 236 Y N -1.697 118.722 120.300 0.198 0.000 2.552 236 Y HA 0.589 5.139 4.550 0.000 0.000 0.337 236 Y C -1.586 174.460 175.900 0.244 0.000 1.094 236 Y CA -1.734 56.487 58.100 0.203 0.000 1.028 236 Y CB 0.819 39.380 38.460 0.167 0.000 1.321 236 Y HN -0.207 nan 8.280 nan 0.000 0.456 237 L N 3.052 124.492 121.223 0.362 0.000 2.362 237 L HA 0.700 5.040 4.340 0.000 0.000 0.275 237 L C -1.234 175.947 176.870 0.519 0.000 0.998 237 L CA -0.644 54.430 54.840 0.390 0.000 0.820 237 L CB 2.011 44.251 42.059 0.302 0.000 1.270 237 L HN 0.917 nan 8.230 nan 0.000 0.415 238 E N 4.089 124.642 120.200 0.587 0.000 2.260 238 E HA 0.501 4.851 4.350 0.000 0.000 0.266 238 E C -2.052 174.625 176.600 0.127 0.000 0.887 238 E CA -0.593 55.940 56.400 0.221 0.000 0.777 238 E CB 1.221 31.014 29.700 0.155 0.000 1.205 238 E HN 0.566 nan 8.360 nan 0.000 0.414 239 Y N 1.648 121.848 120.300 -0.166 0.000 2.605 239 Y HA 0.742 5.292 4.550 0.000 0.000 0.343 239 Y C -1.616 174.027 175.900 -0.428 0.000 1.036 239 Y CA -1.628 56.363 58.100 -0.182 0.000 1.065 239 Y CB 1.050 39.493 38.460 -0.028 0.000 1.288 239 Y HN 0.246 nan 8.280 nan 0.000 0.481 240 F N 1.234 121.288 119.950 0.174 0.000 2.493 240 F HA 0.605 5.132 4.527 0.000 0.000 0.329 240 F C -0.642 175.189 175.800 0.051 0.000 1.126 240 F CA -1.241 56.780 58.000 0.035 0.000 0.937 240 F CB 2.050 41.125 39.000 0.125 0.000 1.146 240 F HN 0.330 nan 8.300 nan 0.000 0.442 241 V N 5.181 125.150 119.914 0.091 0.000 2.432 241 V HA 0.369 4.489 4.120 0.000 0.000 0.275 241 V C 0.124 176.248 176.094 0.050 0.000 1.043 241 V CA -0.536 61.744 62.300 -0.034 0.000 0.925 241 V CB 1.192 32.778 31.823 -0.396 0.000 0.985 241 V HN 0.522 nan 8.190 nan 0.000 0.466 242 I N 3.548 124.172 120.570 0.091 0.000 2.389 242 I HA 0.361 4.531 4.170 0.000 0.000 0.288 242 I C -0.283 175.895 176.117 0.101 0.000 0.999 242 I CA -0.554 60.804 61.300 0.096 0.000 1.129 242 I CB 1.765 39.864 38.000 0.165 0.000 1.288 242 I HN 0.532 nan 8.210 nan 0.000 0.444 243 D N 4.278 124.717 120.400 0.064 0.000 2.341 243 D HA 0.342 4.982 4.640 0.000 0.000 0.245 243 D C 0.740 177.072 176.300 0.053 0.000 1.106 243 D CA 0.208 54.248 54.000 0.067 0.000 0.905 243 D CB 1.704 42.524 40.800 0.033 0.000 1.202 243 D HN 0.615 nan 8.370 nan 0.000 0.426 244 G N 1.843 110.678 108.800 0.058 0.000 2.568 244 G HA2 0.078 4.038 3.960 0.000 0.000 0.212 244 G HA3 0.078 4.038 3.960 0.000 0.000 0.212 244 G C -1.238 173.666 174.900 0.007 0.000 1.821 244 G CA 0.003 45.119 45.100 0.027 0.000 0.904 244 G HN 0.627 nan 8.290 nan 0.000 0.566 245 P HA 0.104 nan 4.420 nan 0.000 0.245 245 P C 0.395 177.695 177.300 0.000 0.000 1.212 245 P CA 0.941 64.051 63.100 0.017 0.000 0.774 245 P CB 0.009 31.716 31.700 0.012 0.000 0.999 246 T N -4.580 109.962 114.554 -0.020 0.000 2.945 246 T HA 0.423 4.773 4.350 0.000 0.000 0.286 246 T C -2.142 172.524 174.700 -0.057 0.000 1.025 246 T CA -2.298 59.776 62.100 -0.043 0.000 1.039 246 T CB 1.864 70.699 68.868 -0.055 0.000 1.068 246 T HN -0.334 nan 8.240 nan 0.000 0.497 247 P HA -0.105 nan 4.420 nan 0.000 0.215 247 P C 1.395 178.648 177.300 -0.078 0.000 1.157 247 P CA 1.375 64.412 63.100 -0.104 0.000 0.874 247 P CB 0.073 31.679 31.700 -0.157 0.000 0.790 248 K N -0.742 119.606 120.400 -0.087 0.000 2.097 248 K HA -0.087 4.233 4.320 0.000 0.000 0.206 248 K C 2.112 178.676 176.600 -0.061 0.000 1.049 248 K CA 1.505 57.743 56.287 -0.081 0.000 0.933 248 K CB -0.602 31.841 32.500 -0.094 0.000 0.717 248 K HN 0.073 nan 8.250 nan 0.000 0.442 249 A N 1.014 123.804 122.820 -0.050 0.000 1.930 249 A HA -0.086 4.234 4.320 0.000 0.000 0.217 249 A C 2.357 179.933 177.584 -0.014 0.000 1.175 249 A CA 1.091 53.106 52.037 -0.036 0.000 0.627 249 A CB -0.477 18.505 19.000 -0.031 0.000 0.815 249 A HN 0.050 nan 8.150 nan 0.000 0.443 250 V N 0.168 120.083 119.914 0.002 0.000 2.261 250 V HA -0.263 3.857 4.120 0.000 0.000 0.246 250 V C 2.550 178.690 176.094 0.076 0.000 1.047 250 V CA 1.998 64.330 62.300 0.052 0.000 1.015 250 V CB -0.775 31.083 31.823 0.059 0.000 0.642 250 V HN 0.577 nan 8.190 nan 0.000 0.446 251 L N 0.040 121.286 121.223 0.038 0.000 2.131 251 L HA -0.201 4.139 4.340 0.000 0.000 0.210 251 L C 2.434 179.289 176.870 -0.024 0.000 1.092 251 L CA 1.753 56.601 54.840 0.014 0.000 0.759 251 L CB -0.637 41.400 42.059 -0.036 0.000 0.903 251 L HN 0.421 nan 8.230 nan 0.000 0.435 252 D N 0.344 120.718 120.400 -0.042 0.000 2.084 252 D HA -0.188 4.452 4.640 0.000 0.000 0.194 252 D C 2.315 178.575 176.300 -0.066 0.000 0.990 252 D CA 1.464 55.423 54.000 -0.068 0.000 0.826 252 D CB 0.097 40.859 40.800 -0.063 0.000 0.971 252 D HN 0.132 nan 8.370 nan 0.000 0.453 253 R N -1.038 119.442 120.500 -0.034 0.000 2.073 253 R HA -0.170 4.170 4.340 0.000 0.000 0.234 253 R C 2.445 178.731 176.300 -0.022 0.000 1.134 253 R CA 1.224 57.301 56.100 -0.039 0.000 0.952 253 R CB -0.731 29.554 30.300 -0.024 0.000 0.850 253 R HN 0.323 nan 8.270 nan 0.000 0.433 254 Y N 2.163 122.387 120.300 -0.126 0.000 2.114 254 Y HA -0.285 4.265 4.550 0.000 0.000 0.282 254 Y C 2.549 178.300 175.900 -0.249 0.000 1.165 254 Y CA 2.188 60.160 58.100 -0.215 0.000 1.148 254 Y CB -0.651 37.500 38.460 -0.515 0.000 0.972 254 Y HN 0.152 nan 8.280 nan 0.000 0.504 255 T N -1.636 112.679 114.554 -0.398 0.000 2.995 255 T HA -0.125 4.225 4.350 0.000 0.000 0.269 255 T C 2.010 176.500 174.700 -0.349 0.000 1.091 255 T CA 1.161 62.970 62.100 -0.485 0.000 1.128 255 T CB -0.443 68.225 68.868 -0.333 0.000 0.891 255 T HN 0.433 nan 8.240 nan 0.000 0.492 256 R N -0.825 119.545 120.500 -0.217 0.000 2.148 256 R HA 0.036 4.376 4.340 0.000 0.000 0.223 256 R C 2.020 178.259 176.300 -0.101 0.000 1.088 256 R CA 0.753 56.766 56.100 -0.145 0.000 0.985 256 R CB -0.334 29.906 30.300 -0.100 0.000 0.880 256 R HN 0.408 nan 8.270 nan 0.000 0.451 257 F N 0.945 120.683 119.950 -0.354 0.000 2.179 257 F HA -0.025 4.502 4.527 0.000 0.000 0.292 257 F C 2.158 177.689 175.800 -0.447 0.000 1.089 257 F CA 1.853 59.627 58.000 -0.377 0.000 1.295 257 F CB -0.510 38.255 39.000 -0.392 0.000 1.041 257 F HN 0.081 nan 8.300 nan 0.000 0.487 258 T N -2.378 111.760 114.554 -0.693 0.000 3.014 258 T HA 0.516 4.866 4.350 0.000 0.000 0.250 258 T C 0.838 175.183 174.700 -0.593 0.000 1.060 258 T CA 0.401 62.016 62.100 -0.809 0.000 1.040 258 T CB 0.044 68.248 68.868 -1.106 0.000 0.971 258 T HN 0.541 nan 8.240 nan 0.000 0.497 259 G N 1.086 109.571 108.800 -0.525 0.000 2.312 259 G HA2 0.300 4.260 3.960 0.000 0.000 0.322 259 G HA3 0.300 4.260 3.960 0.000 0.000 0.322 259 G C -1.506 173.136 174.900 -0.429 0.000 1.645 259 G CA -1.264 43.577 45.100 -0.432 0.000 0.919 259 G HN 0.266 nan 8.290 nan 0.000 0.699 260 R N 1.600 121.905 120.500 -0.325 0.000 2.308 260 R HA 0.455 4.795 4.340 0.000 0.000 0.305 260 R C -2.431 173.699 176.300 -0.283 0.000 1.053 260 R CA -1.866 54.070 56.100 -0.274 0.000 0.957 260 R CB 0.945 31.137 30.300 -0.180 0.000 1.022 260 R HN 0.307 nan 8.270 nan 0.000 0.461 261 P HA 0.003 nan 4.420 nan 0.000 0.266 261 P C -0.583 176.684 177.300 -0.055 0.000 1.195 261 P CA 0.198 63.186 63.100 -0.186 0.000 0.768 261 P CB 0.630 32.251 31.700 -0.132 0.000 0.838 262 A N 3.016 125.810 122.820 -0.044 0.000 2.304 262 A HA 0.410 4.730 4.320 0.000 0.000 0.271 262 A C -0.465 177.228 177.584 0.182 0.000 1.091 262 A CA -0.368 51.708 52.037 0.065 0.000 0.812 262 A CB -0.072 18.989 19.000 0.102 0.000 1.056 262 A HN 0.569 nan 8.150 nan 0.000 0.489 263 L N 2.764 124.080 121.223 0.156 0.000 2.295 263 L HA 0.454 4.794 4.340 0.000 0.000 0.288 263 L C -2.288 174.630 176.870 0.080 0.000 1.079 263 L CA -1.692 53.213 54.840 0.107 0.000 0.830 263 L CB 0.449 42.546 42.059 0.063 0.000 1.200 263 L HN 0.346 nan 8.230 nan 0.000 0.438 264 P HA 0.216 nan 4.420 nan 0.000 0.271 264 P C -2.602 174.796 177.300 0.164 0.000 1.218 264 P CA -1.043 62.026 63.100 -0.051 0.000 0.780 264 P CB -0.100 31.393 31.700 -0.345 0.000 0.901 265 P HA -0.052 nan 4.420 nan 0.000 0.269 265 P C 0.411 177.688 177.300 -0.039 0.000 1.209 265 P CA 0.172 63.203 63.100 -0.114 0.000 0.776 265 P CB 0.665 32.075 31.700 -0.483 0.000 0.876 266 A N 4.984 127.819 122.820 0.024 0.000 1.927 266 A HA -0.192 4.128 4.320 0.000 0.000 0.220 266 A C 2.088 179.813 177.584 0.235 0.000 1.185 266 A CA 1.980 54.041 52.037 0.039 0.000 0.639 266 A CB -1.869 17.067 19.000 -0.107 0.000 0.820 266 A HN 0.849 nan 8.150 nan 0.000 0.451 267 W N 0.840 122.247 121.300 0.178 0.000 2.350 267 W HA -0.183 4.477 4.660 0.000 0.000 0.289 267 W C 1.957 178.585 176.519 0.182 0.000 1.215 267 W CA 1.456 58.881 57.345 0.133 0.000 1.236 267 W CB -1.473 28.025 29.460 0.063 0.000 1.130 267 W HN 0.539 nan 8.180 nan 0.000 0.541 268 S N 0.682 116.312 115.700 -0.117 0.000 2.442 268 S HA -0.219 4.251 4.470 0.000 0.000 0.236 268 S C 1.461 176.170 174.600 0.181 0.000 1.007 268 S CA 0.999 59.254 58.200 0.091 0.000 0.965 268 S CB -1.415 61.619 63.200 -0.276 0.000 0.773 268 S HN 0.210 nan 8.310 nan 0.000 0.504 269 F N 2.626 122.588 119.950 0.019 0.000 2.748 269 F HA 0.320 4.847 4.527 0.000 0.000 0.299 269 F C 1.999 177.822 175.800 0.037 0.000 1.154 269 F CA -0.067 57.856 58.000 -0.129 0.000 1.446 269 F CB -0.671 38.270 39.000 -0.097 0.000 1.112 269 F HN 0.331 nan 8.300 nan 0.000 0.584 270 G N 0.116 109.058 108.800 0.236 0.000 2.525 270 G HA2 0.272 4.232 3.960 0.000 0.000 0.276 270 G HA3 0.272 4.232 3.960 0.000 0.000 0.276 270 G C -0.932 174.179 174.900 0.352 0.000 1.388 270 G CA -0.570 44.551 45.100 0.034 0.000 1.050 270 G HN 0.008 nan 8.290 nan 0.000 0.520 271 L N -0.759 120.749 121.223 0.475 0.000 2.349 271 L HA 0.552 4.892 4.340 0.000 0.000 0.275 271 L C -1.151 175.966 176.870 0.412 0.000 1.115 271 L CA -0.829 54.278 54.840 0.445 0.000 0.820 271 L CB 0.625 42.898 42.059 0.356 0.000 1.135 271 L HN 0.432 nan 8.230 nan 0.000 0.445 272 W N 6.141 127.468 121.300 0.045 0.000 2.551 272 W HA 0.602 5.262 4.660 0.000 0.000 0.330 272 W C -0.803 175.642 176.519 -0.123 0.000 1.063 272 W CA -0.597 56.708 57.345 -0.067 0.000 1.222 272 W CB 1.327 30.664 29.460 -0.205 0.000 1.349 272 W HN 0.247 nan 8.180 nan 0.000 0.536 273 L N 3.251 124.475 121.223 0.000 0.000 2.410 273 L HA 0.624 4.964 4.340 0.000 0.000 0.270 273 L C -0.562 176.057 176.870 -0.418 0.000 0.983 273 L CA -0.197 54.582 54.840 -0.102 0.000 0.822 273 L CB 1.867 43.942 42.059 0.027 0.000 1.285 273 L HN 0.407 nan 8.230 nan 0.000 0.409 274 T N 1.311 115.684 114.554 -0.301 0.000 2.950 274 T HA 0.332 4.682 4.350 0.000 0.000 0.288 274 T C 1.254 175.805 174.700 -0.248 0.000 1.035 274 T CA 0.050 61.943 62.100 -0.345 0.000 1.028 274 T CB 1.671 70.632 68.868 0.155 0.000 1.109 274 T HN 0.737 nan 8.240 nan 0.000 0.514 275 T N -0.967 113.418 114.554 -0.281 0.000 3.023 275 T HA 0.232 4.582 4.350 0.000 0.000 0.266 275 T C 0.700 175.364 174.700 -0.060 0.000 1.093 275 T CA 0.212 62.207 62.100 -0.175 0.000 1.129 275 T CB -0.164 68.150 68.868 -0.923 0.000 0.899 275 T HN 0.624 nan 8.240 nan 0.000 0.491 276 S N -0.605 115.106 115.700 0.018 0.000 4.096 276 S HA -0.106 4.364 4.470 0.000 0.000 0.650 276 S C -0.201 174.567 174.600 0.280 0.000 1.154 276 S CA -0.098 58.102 58.200 0.001 0.000 1.313 276 S CB -1.431 61.706 63.200 -0.105 0.000 0.336 276 S HN 0.301 nan 8.310 nan 0.000 1.523 277 F N 2.210 122.215 119.950 0.093 0.000 2.044 277 F HA 0.142 4.670 4.527 0.000 0.000 0.286 277 F C 2.639 178.729 175.800 0.482 0.000 1.173 277 F CA 2.267 60.473 58.000 0.344 0.000 1.141 277 F CB -1.182 38.039 39.000 0.369 0.000 1.012 277 F HN 0.779 nan 8.300 nan 0.000 0.482 278 T N -1.154 113.384 114.554 -0.027 0.000 3.235 278 T HA 0.182 4.532 4.350 0.000 0.000 0.251 278 T C 0.655 175.290 174.700 -0.109 0.000 1.060 278 T CA 0.261 62.282 62.100 -0.132 0.000 0.949 278 T CB -1.672 67.035 68.868 -0.267 0.000 1.020 278 T HN 0.396 nan 8.240 nan 0.000 0.564 279 T N 0.527 115.109 114.554 0.046 0.000 2.754 279 T HA 0.382 4.732 4.350 0.000 0.000 0.286 279 T C -0.104 174.709 174.700 0.187 0.000 0.997 279 T CA -0.764 61.332 62.100 -0.006 0.000 0.982 279 T CB 0.251 68.971 68.868 -0.246 0.000 1.027 279 T HN 0.232 nan 8.240 nan 0.000 0.529 280 N N 0.713 119.559 118.700 0.243 0.000 2.473 280 N HA 0.619 5.359 4.740 0.000 0.000 0.291 280 N C -1.341 174.443 175.510 0.455 0.000 1.083 280 N CA -0.574 52.552 53.050 0.126 0.000 0.951 280 N CB 0.887 39.385 38.487 0.018 0.000 1.164 280 N HN 0.821 nan 8.380 nan 0.000 0.480 281 Y N -1.713 118.685 120.300 0.165 0.000 2.573 281 Y HA 0.529 5.079 4.550 0.000 0.000 0.328 281 Y C -1.541 174.472 175.900 0.188 0.000 1.170 281 Y CA -1.497 56.740 58.100 0.229 0.000 1.078 281 Y CB 0.760 39.475 38.460 0.426 0.000 1.341 281 Y HN 0.635 nan 8.280 nan 0.000 0.459 282 D N -0.716 119.858 120.400 0.290 0.000 2.759 282 D HA 0.215 4.855 4.640 0.000 0.000 0.321 282 D C 0.303 176.811 176.300 0.345 0.000 1.267 282 D CA -0.783 53.256 54.000 0.066 0.000 0.933 282 D CB 1.332 42.025 40.800 -0.178 0.000 1.431 282 D HN 0.661 nan 8.370 nan 0.000 0.504 283 E N -0.569 119.839 120.200 0.346 0.000 2.219 283 E HA -0.268 4.082 4.350 0.000 0.000 0.198 283 E C 1.766 178.420 176.600 0.090 0.000 0.998 283 E CA 1.489 58.060 56.400 0.284 0.000 0.818 283 E CB -0.224 29.597 29.700 0.203 0.000 0.741 283 E HN 0.474 nan 8.360 nan 0.000 0.477 284 A N 0.089 122.926 122.820 0.029 0.000 1.872 284 A HA -0.142 4.178 4.320 0.000 0.000 0.214 284 A C 2.362 179.876 177.584 -0.117 0.000 1.187 284 A CA 1.843 53.851 52.037 -0.047 0.000 0.614 284 A CB -0.877 18.088 19.000 -0.057 0.000 0.826 284 A HN 0.356 nan 8.150 nan 0.000 0.442 285 T N 0.056 114.539 114.554 -0.119 0.000 2.684 285 T HA -0.147 4.203 4.350 0.000 0.000 0.267 285 T C 1.868 176.306 174.700 -0.438 0.000 1.036 285 T CA 1.630 63.532 62.100 -0.330 0.000 1.148 285 T CB -0.768 68.000 68.868 -0.166 0.000 0.863 285 T HN 0.136 nan 8.240 nan 0.000 0.436 286 V N 2.894 122.715 119.914 -0.154 0.000 2.214 286 V HA -0.261 3.859 4.120 0.000 0.000 0.247 286 V C 2.558 178.482 176.094 -0.283 0.000 1.051 286 V CA 1.896 64.039 62.300 -0.261 0.000 1.003 286 V CB -0.735 30.986 31.823 -0.170 0.000 0.635 286 V HN 0.475 nan 8.190 nan 0.000 0.447 287 N N -0.075 118.514 118.700 -0.185 0.000 2.192 287 N HA -0.183 4.557 4.740 0.000 0.000 0.188 287 N C 2.156 177.597 175.510 -0.115 0.000 1.013 287 N CA 1.771 54.736 53.050 -0.141 0.000 0.863 287 N CB -0.385 38.044 38.487 -0.097 0.000 0.990 287 N HN 0.546 nan 8.380 nan 0.000 0.430 288 S N 0.448 116.050 115.700 -0.163 0.000 2.359 288 S HA -0.128 4.343 4.470 0.000 0.000 0.222 288 S C 1.811 176.422 174.600 0.019 0.000 1.038 288 S CA 1.001 59.112 58.200 -0.149 0.000 1.051 288 S CB -0.298 62.725 63.200 -0.296 0.000 0.944 288 S HN 0.162 nan 8.310 nan 0.000 0.433 289 F N 1.861 121.838 119.950 0.046 0.000 2.069 289 F HA 0.020 4.547 4.527 0.000 0.000 0.298 289 F C 2.309 178.199 175.800 0.150 0.000 1.113 289 F CA 0.541 58.661 58.000 0.199 0.000 1.214 289 F CB -1.195 37.891 39.000 0.144 0.000 0.978 289 F HN 0.230 nan 8.300 nan 0.000 0.474 290 I N -0.042 120.639 120.570 0.184 0.000 2.248 290 I HA -0.326 3.844 4.170 0.000 0.000 0.248 290 I C 1.931 178.076 176.117 0.046 0.000 1.107 290 I CA 1.671 63.008 61.300 0.061 0.000 1.373 290 I CB -0.527 37.423 38.000 -0.083 0.000 1.055 290 I HN 0.134 nan 8.210 nan 0.000 0.418 291 D N 0.682 121.090 120.400 0.015 0.000 2.234 291 D HA -0.062 4.578 4.640 0.000 0.000 0.205 291 D C 2.197 178.457 176.300 -0.066 0.000 0.962 291 D CA 1.331 55.310 54.000 -0.035 0.000 0.855 291 D CB -0.214 40.548 40.800 -0.062 0.000 0.951 291 D HN 0.413 nan 8.370 nan 0.000 0.500 292 G N 0.615 109.382 108.800 -0.055 0.000 2.422 292 G HA2 -0.176 3.784 3.960 0.000 0.000 0.218 292 G HA3 -0.176 3.784 3.960 0.000 0.000 0.218 292 G C 1.602 176.358 174.900 -0.239 0.000 1.140 292 G CA 0.261 45.143 45.100 -0.363 0.000 0.775 292 G HN 0.090 nan 8.290 nan 0.000 0.545 293 M N 1.051 120.728 119.600 0.129 0.000 2.123 293 M HA 0.130 4.610 4.480 0.000 0.000 0.263 293 M C 3.035 179.372 176.300 0.063 0.000 1.069 293 M CA 1.290 56.713 55.300 0.205 0.000 1.133 293 M CB -1.102 31.629 32.600 0.218 0.000 1.356 293 M HN 0.296 nan 8.290 nan 0.000 0.415 294 A N 0.218 123.046 122.820 0.013 0.000 1.933 294 A HA -0.167 4.153 4.320 0.000 0.000 0.218 294 A C 2.042 179.603 177.584 -0.038 0.000 1.175 294 A CA 1.669 53.694 52.037 -0.020 0.000 0.628 294 A CB -0.709 18.269 19.000 -0.036 0.000 0.814 294 A HN 0.570 nan 8.150 nan 0.000 0.444 295 E N -0.547 119.611 120.200 -0.070 0.000 2.110 295 E HA -0.146 4.204 4.350 0.000 0.000 0.193 295 E C 1.891 178.449 176.600 -0.070 0.000 0.988 295 E CA 0.990 57.337 56.400 -0.088 0.000 0.804 295 E CB -0.111 29.503 29.700 -0.144 0.000 0.745 295 E HN 0.524 nan 8.360 nan 0.000 0.458 296 R N 0.551 121.015 120.500 -0.060 0.000 2.310 296 R HA 0.103 4.443 4.340 0.000 0.000 0.202 296 R C -0.092 176.225 176.300 0.029 0.000 0.933 296 R CA 0.001 56.095 56.100 -0.010 0.000 1.054 296 R CB 0.122 30.437 30.300 0.024 0.000 0.985 296 R HN 0.105 nan 8.270 nan 0.000 0.489 297 N N 0.889 119.598 118.700 0.017 0.000 2.758 297 N HA -0.170 4.570 4.740 0.000 0.000 0.248 297 N C -1.087 174.452 175.510 0.049 0.000 1.076 297 N CA 0.839 53.901 53.050 0.021 0.000 0.696 297 N CB -1.236 37.259 38.487 0.015 0.000 0.979 297 N HN 0.272 nan 8.380 nan 0.000 0.550 298 L N 0.617 121.883 121.223 0.073 0.000 2.277 298 L HA 0.411 4.751 4.340 0.000 0.000 0.284 298 L C -2.030 174.882 176.870 0.071 0.000 1.028 298 L CA -1.571 53.333 54.840 0.107 0.000 0.835 298 L CB 1.220 43.386 42.059 0.178 0.000 1.215 298 L HN -0.284 nan 8.230 nan 0.000 0.425 299 P HA 0.099 nan 4.420 nan 0.000 0.266 299 P C -0.945 176.297 177.300 -0.098 0.000 1.193 299 P CA -0.042 63.041 63.100 -0.028 0.000 0.770 299 P CB 0.732 32.508 31.700 0.127 0.000 0.836 300 L N 3.220 124.200 121.223 -0.404 0.000 2.493 300 L HA 0.378 4.718 4.340 0.000 0.000 0.265 300 L C -0.324 176.181 176.870 -0.609 0.000 0.954 300 L CA -0.046 54.622 54.840 -0.287 0.000 0.844 300 L CB 1.755 43.770 42.059 -0.074 0.000 1.302 300 L HN 0.393 nan 8.230 nan 0.000 0.405 301 H N 2.919 121.991 119.070 0.004 0.000 3.255 301 H HA 0.575 5.131 4.556 0.000 0.000 0.256 301 H C -0.745 174.464 175.328 -0.200 0.000 1.049 301 H CA 0.019 56.038 56.048 -0.048 0.000 1.202 301 H CB 0.941 30.733 29.762 0.051 0.000 1.497 301 H HN 0.197 nan 8.280 nan 0.000 0.503 302 V N 0.903 120.688 119.914 -0.214 0.000 2.851 302 V HA 0.252 4.372 4.120 0.000 0.000 0.307 302 V C -1.588 174.318 176.094 -0.314 0.000 1.129 302 V CA -0.990 61.016 62.300 -0.491 0.000 0.932 302 V CB 2.673 33.725 31.823 -1.285 0.000 1.024 302 V HN 0.103 nan 8.190 nan 0.000 0.426 303 F N 3.361 123.093 119.950 -0.364 0.000 2.495 303 F HA 0.753 5.280 4.527 0.000 0.000 0.327 303 F C -0.425 175.217 175.800 -0.263 0.000 1.103 303 F CA -0.409 57.424 58.000 -0.278 0.000 0.949 303 F CB 1.565 40.395 39.000 -0.284 0.000 1.142 303 F HN 0.726 nan 8.300 nan 0.000 0.457 304 H N 4.933 123.323 119.070 -1.134 0.000 2.466 304 H HA 0.469 5.025 4.556 0.000 0.000 0.338 304 H C -1.746 173.166 175.328 -0.693 0.000 1.091 304 H CA -0.802 54.842 56.048 -0.673 0.000 1.207 304 H CB 0.905 30.400 29.762 -0.445 0.000 1.466 304 H HN 0.462 nan 8.280 nan 0.000 0.493 305 F N 3.729 123.238 119.950 -0.735 0.000 2.361 305 F HA 0.199 4.726 4.527 0.000 0.000 0.364 305 F C 0.499 175.979 175.800 -0.533 0.000 1.120 305 F CA -0.485 57.280 58.000 -0.392 0.000 1.102 305 F CB 0.789 39.662 39.000 -0.211 0.000 1.183 305 F HN 0.639 nan 8.300 nan 0.000 0.476 306 D N 0.966 121.349 120.400 -0.028 0.000 2.451 306 D HA 0.218 4.858 4.640 0.000 0.000 0.259 306 D C 1.128 177.656 176.300 0.380 0.000 1.201 306 D CA -0.299 53.853 54.000 0.253 0.000 1.028 306 D CB 1.053 42.094 40.800 0.401 0.000 1.095 306 D HN 0.611 nan 8.370 nan 0.000 0.539 307 C N -0.078 119.034 119.300 -0.314 0.000 2.283 307 C HA -0.307 4.153 4.460 0.000 0.000 0.248 307 C C 2.358 176.961 174.990 -0.644 0.000 1.052 307 C CA 0.824 59.124 59.018 -1.197 0.000 1.852 307 C CB -1.630 24.951 27.740 -1.933 0.000 1.991 307 C HN 0.628 nan 8.230 nan 0.000 0.408 308 F N 1.854 121.853 119.950 0.081 0.000 2.706 308 F HA -0.063 4.464 4.527 0.000 0.000 0.295 308 F C 1.981 177.976 175.800 0.325 0.000 1.228 308 F CA 0.804 58.915 58.000 0.186 0.000 1.474 308 F CB -0.924 38.039 39.000 -0.062 0.000 1.120 308 F HN 0.660 nan 8.300 nan 0.000 0.605 309 W N -1.239 120.278 121.300 0.362 0.000 3.047 309 W HA 0.237 4.897 4.660 0.000 0.000 0.250 309 W C -0.017 176.596 176.519 0.156 0.000 1.314 309 W CA 0.036 57.564 57.345 0.305 0.000 1.540 309 W CB -0.619 28.661 29.460 -0.300 0.000 1.127 309 W HN -0.018 nan 8.180 nan 0.000 0.679 310 M N 1.190 120.620 119.600 -0.284 0.000 2.724 310 M HA 0.323 4.803 4.480 0.000 0.000 0.310 310 M C -0.072 176.260 176.300 0.054 0.000 1.217 310 M CA -0.820 54.294 55.300 -0.310 0.000 0.894 310 M CB 2.684 34.893 32.600 -0.651 0.000 1.719 310 M HN -0.399 nan 8.290 nan 0.000 0.479 311 K N 1.226 121.639 120.400 0.021 0.000 2.368 311 K HA 0.397 4.717 4.320 0.000 0.000 0.282 311 K C -0.148 176.298 176.600 -0.255 0.000 1.035 311 K CA -0.377 55.898 56.287 -0.021 0.000 0.973 311 K CB 0.640 33.137 32.500 -0.004 0.000 0.957 311 K HN 0.708 nan 8.250 nan 0.000 0.474 312 A N 2.615 125.193 122.820 -0.403 0.000 2.555 312 A HA 0.065 4.385 4.320 0.000 0.000 0.233 312 A C 0.146 177.191 177.584 -0.898 0.000 1.060 312 A CA 0.120 51.524 52.037 -1.055 0.000 0.759 312 A CB -0.522 17.901 19.000 -0.962 0.000 0.995 312 A HN 0.793 nan 8.150 nan 0.000 0.506 313 F N -1.658 117.703 119.950 -0.982 0.000 2.825 313 F HA -0.261 4.266 4.527 0.000 0.000 0.358 313 F C 1.266 176.839 175.800 -0.378 0.000 0.639 313 F CA 1.885 59.526 58.000 -0.599 0.000 1.153 313 F CB -1.855 36.912 39.000 -0.389 0.000 1.610 313 F HN 0.737 nan 8.300 nan 0.000 0.305 314 Q N -1.625 118.029 119.800 -0.243 0.000 2.155 314 Q HA 0.068 4.408 4.340 0.000 0.000 0.220 314 Q C -0.282 175.778 176.000 0.100 0.000 0.819 314 Q CA -0.466 55.325 55.803 -0.021 0.000 1.032 314 Q CB 0.294 29.033 28.738 0.002 0.000 1.151 314 Q HN 0.264 nan 8.270 nan 0.000 0.487 315 W N 0.808 122.072 121.300 -0.060 0.000 2.611 315 W HA -0.070 4.590 4.660 0.000 0.000 0.346 315 W C 0.581 177.201 176.519 0.167 0.000 1.365 315 W CA -0.353 56.984 57.345 -0.013 0.000 1.313 315 W CB -0.272 29.162 29.460 -0.044 0.000 1.351 315 W HN 0.278 nan 8.180 nan 0.000 0.576 316 C N 4.482 123.946 119.300 0.274 0.000 4.617 316 C HA -0.252 4.208 4.460 0.000 0.000 0.314 316 C C 1.003 175.916 174.990 -0.128 0.000 1.194 316 C CA 0.590 59.566 59.018 -0.071 0.000 2.250 316 C CB -2.184 25.586 27.740 0.050 0.000 1.219 316 C HN 0.720 nan 8.230 nan 0.000 0.723 317 D N -1.017 119.357 120.400 -0.044 0.000 2.433 317 D HA 0.303 4.943 4.640 0.000 0.000 0.211 317 D C 0.817 177.311 176.300 0.324 0.000 1.114 317 D CA -0.068 54.098 54.000 0.277 0.000 0.837 317 D CB -0.272 40.701 40.800 0.287 0.000 0.984 317 D HN 0.510 nan 8.370 nan 0.000 0.505 318 F N 0.135 120.157 119.950 0.119 0.000 2.988 318 F HA -0.194 4.333 4.527 0.000 0.000 0.287 318 F C -0.342 175.528 175.800 0.118 0.000 0.781 318 F CA 0.392 58.454 58.000 0.102 0.000 1.221 318 F CB -1.950 37.120 39.000 0.118 0.000 1.392 318 F HN -0.037 nan 8.300 nan 0.000 0.425 319 E N 0.119 120.391 120.200 0.120 0.000 2.133 319 E HA 0.211 4.561 4.350 0.000 0.000 0.274 319 E C -0.318 176.394 176.600 0.187 0.000 0.930 319 E CA -0.737 55.797 56.400 0.223 0.000 0.770 319 E CB 0.475 30.303 29.700 0.213 0.000 1.104 319 E HN 0.206 nan 8.360 nan 0.000 0.403 320 W N 1.852 123.367 121.300 0.359 0.000 2.223 320 W HA -0.032 4.629 4.660 0.000 0.000 0.334 320 W C 1.073 177.774 176.519 0.302 0.000 1.334 320 W CA 0.200 57.801 57.345 0.426 0.000 1.246 320 W CB 0.362 30.055 29.460 0.389 0.000 1.184 320 W HN 0.299 nan 8.180 nan 0.000 0.563 321 D N 4.657 125.393 120.400 0.560 0.000 2.401 321 D HA 0.020 4.660 4.640 0.000 0.000 0.254 321 D C -1.442 175.047 176.300 0.316 0.000 1.192 321 D CA -1.608 52.598 54.000 0.343 0.000 0.885 321 D CB 1.387 42.347 40.800 0.267 0.000 1.147 321 D HN 0.035 nan 8.370 nan 0.000 0.478 322 P HA -0.108 nan 4.420 nan 0.000 0.215 322 P C 1.676 179.024 177.300 0.080 0.000 1.153 322 P CA 0.913 64.103 63.100 0.150 0.000 0.853 322 P CB 0.246 32.013 31.700 0.112 0.000 0.788 323 L N -1.484 119.765 121.223 0.042 0.000 1.994 323 L HA -0.159 4.181 4.340 0.000 0.000 0.208 323 L C 2.264 179.079 176.870 -0.091 0.000 1.071 323 L CA 2.036 56.864 54.840 -0.020 0.000 0.745 323 L CB -1.751 40.289 42.059 -0.031 0.000 0.892 323 L HN 0.043 nan 8.230 nan 0.000 0.431 324 T N -0.764 113.697 114.554 -0.156 0.000 2.770 324 T HA -0.042 4.308 4.350 0.000 0.000 0.263 324 T C 0.314 174.611 174.700 -0.671 0.000 1.039 324 T CA 1.025 62.835 62.100 -0.482 0.000 1.142 324 T CB -0.118 68.341 68.868 -0.682 0.000 0.868 324 T HN -0.010 nan 8.240 nan 0.000 0.435 325 F N 0.996 121.057 119.950 0.184 0.000 2.453 325 F HA 0.404 4.931 4.527 0.000 0.000 0.358 325 F C -2.124 173.703 175.800 0.045 0.000 1.129 325 F CA -2.931 55.142 58.000 0.121 0.000 1.200 325 F CB 1.257 40.392 39.000 0.226 0.000 1.431 325 F HN -0.039 nan 8.300 nan 0.000 0.503 326 P HA -0.173 nan 4.420 nan 0.000 0.215 326 P C 0.028 177.340 177.300 0.020 0.000 1.157 326 P CA 1.532 64.666 63.100 0.057 0.000 0.874 326 P CB 0.295 32.007 31.700 0.020 0.000 0.790 327 D N -2.667 117.720 120.400 -0.021 0.000 2.408 327 D HA 0.185 4.825 4.640 0.000 0.000 0.261 327 D C -2.021 174.141 176.300 -0.229 0.000 1.190 327 D CA -2.326 51.616 54.000 -0.097 0.000 0.910 327 D CB 0.632 41.389 40.800 -0.072 0.000 1.097 327 D HN -0.133 nan 8.370 nan 0.000 0.522 328 P HA -0.132 nan 4.420 nan 0.000 0.212 328 P C 1.181 178.133 177.300 -0.579 0.000 1.180 328 P CA 0.838 63.397 63.100 -0.901 0.000 0.906 328 P CB 0.304 31.126 31.700 -1.463 0.000 0.782 329 E N -0.161 119.807 120.200 -0.387 0.000 2.108 329 E HA -0.213 4.137 4.350 0.000 0.000 0.203 329 E C 2.138 178.624 176.600 -0.190 0.000 1.022 329 E CA 2.230 58.488 56.400 -0.237 0.000 0.823 329 E CB -1.348 28.261 29.700 -0.152 0.000 0.744 329 E HN 0.167 nan 8.360 nan 0.000 0.456 330 G N 0.531 109.231 108.800 -0.167 0.000 2.421 330 G HA2 -0.327 3.633 3.960 0.000 0.000 0.216 330 G HA3 -0.327 3.633 3.960 0.000 0.000 0.216 330 G C 1.650 176.475 174.900 -0.124 0.000 1.171 330 G CA 1.081 46.108 45.100 -0.121 0.000 0.775 330 G HN 0.409 nan 8.290 nan 0.000 0.543 331 M N 0.837 120.343 119.600 -0.156 0.000 2.108 331 M HA -0.107 4.373 4.480 0.000 0.000 0.261 331 M C 2.459 178.691 176.300 -0.113 0.000 1.066 331 M CA 2.033 57.259 55.300 -0.124 0.000 1.107 331 M CB -0.277 32.233 32.600 -0.151 0.000 1.356 331 M HN 0.314 nan 8.290 nan 0.000 0.406 332 I N -1.119 119.351 120.570 -0.167 0.000 2.394 332 I HA -0.160 4.010 4.170 0.000 0.000 0.251 332 I C 2.146 178.204 176.117 -0.099 0.000 1.136 332 I CA 1.385 62.617 61.300 -0.113 0.000 1.425 332 I CB -0.873 37.042 38.000 -0.142 0.000 1.079 332 I HN 0.212 nan 8.210 nan 0.000 0.425 333 R N 1.185 121.622 120.500 -0.105 0.000 2.070 333 R HA -0.050 4.290 4.340 0.000 0.000 0.233 333 R C 2.516 178.766 176.300 -0.083 0.000 1.137 333 R CA 1.832 57.877 56.100 -0.092 0.000 0.945 333 R CB -0.446 29.802 30.300 -0.085 0.000 0.845 333 R HN 0.437 nan 8.270 nan 0.000 0.430 334 R N 0.676 121.129 120.500 -0.078 0.000 2.083 334 R HA -0.114 4.226 4.340 0.000 0.000 0.237 334 R C 2.463 178.715 176.300 -0.079 0.000 1.137 334 R CA 1.323 57.380 56.100 -0.072 0.000 0.951 334 R CB -0.562 29.699 30.300 -0.064 0.000 0.851 334 R HN 0.206 nan 8.270 nan 0.000 0.434 335 L N 0.949 122.125 121.223 -0.078 0.000 2.017 335 L HA -0.186 4.154 4.340 0.000 0.000 0.208 335 L C 2.425 179.235 176.870 -0.101 0.000 1.073 335 L CA 1.448 56.233 54.840 -0.091 0.000 0.745 335 L CB -0.425 41.595 42.059 -0.065 0.000 0.894 335 L HN 0.148 nan 8.230 nan 0.000 0.432 336 K N 0.144 120.483 120.400 -0.101 0.000 2.155 336 K HA -0.051 4.269 4.320 0.000 0.000 0.203 336 K C 2.142 178.674 176.600 -0.113 0.000 1.052 336 K CA 1.165 57.377 56.287 -0.123 0.000 0.948 336 K CB -0.176 32.245 32.500 -0.132 0.000 0.728 336 K HN 0.264 nan 8.250 nan 0.000 0.448 337 A N 1.923 124.686 122.820 -0.096 0.000 2.070 337 A HA -0.141 4.179 4.320 0.000 0.000 0.220 337 A C 1.493 179.027 177.584 -0.082 0.000 1.159 337 A CA 1.214 53.200 52.037 -0.084 0.000 0.656 337 A CB -0.199 18.757 19.000 -0.074 0.000 0.800 337 A HN 0.211 nan 8.150 nan 0.000 0.453 338 K N -0.529 119.818 120.400 -0.089 0.000 2.504 338 K HA 0.271 4.591 4.320 0.000 0.000 0.199 338 K C 0.640 177.183 176.600 -0.095 0.000 1.028 338 K CA 0.338 56.572 56.287 -0.087 0.000 1.164 338 K CB -0.269 32.177 32.500 -0.090 0.000 0.877 338 K HN 0.566 nan 8.250 nan 0.000 0.508 339 G N 1.851 110.591 108.800 -0.100 0.000 2.324 339 G HA2 -0.256 3.704 3.960 0.000 0.000 0.292 339 G HA3 -0.256 3.704 3.960 0.000 0.000 0.292 339 G C -0.395 174.428 174.900 -0.128 0.000 1.079 339 G CA -0.110 44.928 45.100 -0.103 0.000 1.026 339 G HN 0.245 nan 8.290 nan 0.000 0.506 340 L N -0.748 120.382 121.223 -0.156 0.000 2.371 340 L HA 0.654 4.994 4.340 0.000 0.000 0.262 340 L C -0.117 176.593 176.870 -0.266 0.000 1.006 340 L CA -1.260 53.469 54.840 -0.184 0.000 0.818 340 L CB 1.955 43.930 42.059 -0.141 0.000 1.354 340 L HN -0.048 nan 8.230 nan 0.000 0.415 341 K N 2.101 122.284 120.400 -0.361 0.000 2.156 341 K HA 0.612 4.932 4.320 0.000 0.000 0.254 341 K C -1.161 175.214 176.600 -0.375 0.000 0.950 341 K CA -0.761 55.207 56.287 -0.532 0.000 0.849 341 K CB 2.444 34.356 32.500 -0.979 0.000 1.100 341 K HN 0.242 nan 8.250 nan 0.000 0.434 342 I N 0.993 121.379 120.570 -0.306 0.000 2.474 342 I HA 0.238 4.408 4.170 0.000 0.000 0.294 342 I C -0.530 175.490 176.117 -0.162 0.000 1.005 342 I CA -0.608 60.604 61.300 -0.146 0.000 1.113 342 I CB 1.628 39.631 38.000 0.005 0.000 1.289 342 I HN 0.552 nan 8.210 nan 0.000 0.436 343 C N 7.647 126.902 119.300 -0.076 0.000 2.547 343 C HA 0.901 5.361 4.460 0.000 0.000 0.313 343 C C -0.694 174.412 174.990 0.194 0.000 1.191 343 C CA -0.416 58.606 59.018 0.008 0.000 1.474 343 C CB 0.521 28.295 27.740 0.056 0.000 2.081 343 C HN 0.684 nan 8.230 nan 0.000 0.476 344 V N 3.251 123.262 119.914 0.160 0.000 2.823 344 V HA 0.686 4.806 4.120 0.000 0.000 0.312 344 V C -0.524 175.869 176.094 0.499 0.000 1.072 344 V CA -0.879 61.487 62.300 0.110 0.000 0.937 344 V CB 1.400 32.950 31.823 -0.454 0.000 1.013 344 V HN 1.120 nan 8.190 nan 0.000 0.430 345 W N 5.717 127.293 121.300 0.460 0.000 2.158 345 W HA 0.637 5.297 4.660 0.000 0.000 0.339 345 W C -0.169 176.704 176.519 0.590 0.000 1.294 345 W CA 0.432 58.124 57.345 0.578 0.000 1.231 345 W CB 0.596 30.341 29.460 0.476 0.000 1.143 345 W HN 0.900 nan 8.180 nan 0.000 0.571 346 I N 2.954 123.339 120.570 -0.309 0.000 3.066 346 I HA 0.582 4.752 4.170 0.000 0.000 0.307 346 I C -1.280 174.282 176.117 -0.926 0.000 1.366 346 I CA -1.187 59.890 61.300 -0.372 0.000 0.972 346 I CB 2.042 40.114 38.000 0.119 0.000 1.307 346 I HN 0.739 nan 8.210 nan 0.000 0.470 347 N N 1.490 119.911 118.700 -0.465 0.000 3.020 347 N HA 0.528 5.268 4.740 0.000 0.000 0.248 347 N C -2.797 172.659 175.510 -0.091 0.000 1.480 347 N CA -1.359 51.518 53.050 -0.289 0.000 0.874 347 N CB 2.429 40.633 38.487 -0.472 0.000 1.433 347 N HN 0.406 nan 8.380 nan 0.000 0.530 348 P HA 0.193 nan 4.420 nan 0.000 0.262 348 P C -0.971 176.529 177.300 0.335 0.000 1.304 348 P CA 0.397 63.370 63.100 -0.211 0.000 0.859 348 P CB -0.100 31.275 31.700 -0.542 0.000 1.310 349 Y N 0.328 120.839 120.300 0.352 0.000 2.568 349 Y HA 0.627 5.177 4.550 0.000 0.000 0.327 349 Y C 0.612 176.754 175.900 0.403 0.000 1.163 349 Y CA -2.487 55.813 58.100 0.333 0.000 1.219 349 Y CB 0.993 39.657 38.460 0.340 0.000 1.308 349 Y HN -0.264 nan 8.280 nan 0.000 0.503 350 I N 0.578 121.404 120.570 0.426 0.000 2.610 350 I HA 0.614 4.784 4.170 0.000 0.000 0.289 350 I C -0.191 176.161 176.117 0.392 0.000 1.163 350 I CA -0.540 60.968 61.300 0.347 0.000 1.044 350 I CB 1.494 39.542 38.000 0.081 0.000 1.251 350 I HN 0.750 nan 8.210 nan 0.000 0.424 351 G N 4.430 113.432 108.800 0.337 0.000 2.483 351 G HA2 0.099 4.059 3.960 0.000 0.000 0.248 351 G HA3 0.099 4.059 3.960 0.000 0.000 0.248 351 G C 0.298 175.268 174.900 0.116 0.000 1.248 351 G CA -0.198 45.027 45.100 0.208 0.000 0.838 351 G HN 0.859 nan 8.290 nan 0.000 0.566 352 Q N 0.984 120.629 119.800 -0.258 0.000 2.170 352 Q HA -0.142 4.198 4.340 0.000 0.000 0.203 352 Q C 2.259 177.986 176.000 -0.454 0.000 0.976 352 Q CA 1.589 56.838 55.803 -0.923 0.000 0.858 352 Q CB -0.075 28.136 28.738 -0.878 0.000 0.907 352 Q HN 0.700 nan 8.270 nan 0.000 0.433 353 K N 0.251 120.518 120.400 -0.221 0.000 2.280 353 K HA -0.070 4.250 4.320 0.000 0.000 0.202 353 K C 0.515 177.098 176.600 -0.029 0.000 1.047 353 K CA 0.677 56.891 56.287 -0.122 0.000 0.942 353 K CB -0.065 32.389 32.500 -0.075 0.000 0.739 353 K HN 0.057 nan 8.250 nan 0.000 0.457 354 S N 0.783 116.506 115.700 0.038 0.000 2.549 354 S HA 0.113 4.583 4.470 0.000 0.000 0.283 354 S C -1.917 172.771 174.600 0.147 0.000 1.320 354 S CA -1.486 56.783 58.200 0.115 0.000 1.058 354 S CB 1.092 64.403 63.200 0.185 0.000 0.882 354 S HN 0.039 nan 8.310 nan 0.000 0.498 355 P HA -0.070 nan 4.420 nan 0.000 0.218 355 P C 1.302 178.709 177.300 0.180 0.000 1.148 355 P CA 0.614 63.796 63.100 0.136 0.000 0.822 355 P CB 0.050 31.825 31.700 0.124 0.000 0.784 356 V N -1.244 118.807 119.914 0.228 0.000 2.626 356 V HA -0.211 3.909 4.120 0.000 0.000 0.252 356 V C 2.044 178.237 176.094 0.166 0.000 1.067 356 V CA 1.249 63.703 62.300 0.257 0.000 1.081 356 V CB -1.319 30.744 31.823 0.401 0.000 0.686 356 V HN 0.039 nan 8.190 nan 0.000 0.468 357 F N 1.671 121.641 119.950 0.032 0.000 2.065 357 F HA -0.263 4.264 4.527 0.000 0.000 0.298 357 F C 2.457 178.216 175.800 -0.068 0.000 1.112 357 F CA 2.439 60.416 58.000 -0.038 0.000 1.212 357 F CB -0.235 38.750 39.000 -0.025 0.000 0.975 357 F HN 0.024 nan 8.300 nan 0.000 0.476 358 K N 0.271 120.849 120.400 0.296 0.000 2.147 358 K HA -0.244 4.076 4.320 0.000 0.000 0.205 358 K C 2.225 178.821 176.600 -0.007 0.000 1.049 358 K CA 1.601 57.983 56.287 0.158 0.000 0.936 358 K CB -0.338 32.241 32.500 0.132 0.000 0.722 358 K HN 0.546 nan 8.250 nan 0.000 0.446 359 E N 0.657 120.849 120.200 -0.013 0.000 2.047 359 E HA -0.202 4.148 4.350 0.000 0.000 0.191 359 E C 1.960 178.406 176.600 -0.257 0.000 0.987 359 E CA 1.107 57.464 56.400 -0.071 0.000 0.799 359 E CB -0.087 29.634 29.700 0.037 0.000 0.752 359 E HN 0.325 nan 8.360 nan 0.000 0.449 360 L N 0.762 121.770 121.223 -0.357 0.000 2.083 360 L HA -0.192 4.148 4.340 0.000 0.000 0.209 360 L C 2.978 179.558 176.870 -0.483 0.000 1.083 360 L CA 1.560 56.077 54.840 -0.537 0.000 0.752 360 L CB -0.535 41.178 42.059 -0.577 0.000 0.899 360 L HN 0.327 nan 8.230 nan 0.000 0.433 361 Q N 0.516 120.066 119.800 -0.415 0.000 2.124 361 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 361 Q C 1.986 177.855 176.000 -0.217 0.000 0.977 361 Q CA 1.733 57.349 55.803 -0.311 0.000 0.850 361 Q CB 0.058 28.669 28.738 -0.211 0.000 0.901 361 Q HN 0.517 nan 8.270 nan 0.000 0.429 362 E N 0.105 120.184 120.200 -0.202 0.000 2.107 362 E HA -0.120 4.230 4.350 0.000 0.000 0.191 362 E C 1.725 178.191 176.600 -0.224 0.000 0.982 362 E CA 0.976 57.280 56.400 -0.159 0.000 0.809 362 E CB 0.214 29.847 29.700 -0.112 0.000 0.756 362 E HN 0.262 nan 8.360 nan 0.000 0.459 363 K N -0.642 119.512 120.400 -0.409 0.000 2.432 363 K HA 0.042 4.362 4.320 0.000 0.000 0.196 363 K C 0.716 177.004 176.600 -0.520 0.000 1.038 363 K CA 0.501 56.427 56.287 -0.602 0.000 0.986 363 K CB 0.501 32.276 32.500 -1.207 0.000 0.782 363 K HN 0.214 nan 8.250 nan 0.000 0.485 364 G N 1.347 109.940 108.800 -0.345 0.000 2.256 364 G HA2 -0.230 3.730 3.960 0.000 0.000 0.272 364 G HA3 -0.230 3.730 3.960 0.000 0.000 0.272 364 G C -0.022 174.932 174.900 0.090 0.000 1.076 364 G CA -0.146 44.897 45.100 -0.096 0.000 0.882 364 G HN 0.251 nan 8.290 nan 0.000 0.497 365 Y N -0.833 119.361 120.300 -0.177 0.000 2.458 365 Y HA 0.422 4.972 4.550 0.000 0.000 0.256 365 Y C 1.599 177.380 175.900 -0.198 0.000 1.159 365 Y CA -0.761 57.233 58.100 -0.177 0.000 1.261 365 Y CB 0.177 38.502 38.460 -0.225 0.000 1.119 365 Y HN 0.361 nan 8.280 nan 0.000 0.524 366 L N 0.538 121.701 121.223 -0.101 0.000 2.325 366 L HA 0.341 4.681 4.340 0.000 0.000 0.278 366 L C -0.284 176.504 176.870 -0.136 0.000 1.023 366 L CA -1.387 53.336 54.840 -0.195 0.000 0.811 366 L CB 1.566 43.418 42.059 -0.345 0.000 1.249 366 L HN -0.181 nan 8.230 nan 0.000 0.431 367 L N 3.616 124.734 121.223 -0.175 0.000 2.640 367 L HA -0.018 4.322 4.340 0.000 0.000 0.280 367 L C -0.071 176.703 176.870 -0.160 0.000 1.229 367 L CA 0.936 55.615 54.840 -0.269 0.000 0.919 367 L CB -0.260 41.508 42.059 -0.485 0.000 1.168 367 L HN 0.514 nan 8.230 nan 0.000 0.496 368 K N 5.352 125.661 120.400 -0.151 0.000 2.185 368 K HA 0.567 4.887 4.320 0.000 0.000 0.240 368 K C -0.232 176.329 176.600 -0.066 0.000 0.983 368 K CA -0.961 55.286 56.287 -0.067 0.000 0.873 368 K CB 1.489 33.967 32.500 -0.036 0.000 1.118 368 K HN 0.530 nan 8.250 nan 0.000 0.441 369 R N 0.708 121.208 120.500 -0.001 0.000 2.541 369 R HA 0.125 4.465 4.340 0.000 0.000 0.263 369 R C -1.704 174.593 176.300 -0.005 0.000 1.112 369 R CA -1.761 54.350 56.100 0.018 0.000 1.170 369 R CB 0.006 30.334 30.300 0.047 0.000 1.167 369 R HN 0.339 nan 8.270 nan 0.000 0.582 370 P HA -0.190 nan 4.420 nan 0.000 0.216 370 P C 0.259 177.563 177.300 0.006 0.000 1.150 370 P CA 1.426 64.530 63.100 0.005 0.000 0.843 370 P CB 0.041 31.751 31.700 0.016 0.000 0.787 371 D N -1.934 118.470 120.400 0.007 0.000 2.378 371 D HA 0.015 4.655 4.640 0.000 0.000 0.227 371 D C 1.477 177.778 176.300 0.002 0.000 1.012 371 D CA 1.075 55.078 54.000 0.005 0.000 0.905 371 D CB -0.916 39.886 40.800 0.004 0.000 0.895 371 D HN 0.279 nan 8.370 nan 0.000 0.532 372 G N -0.358 108.442 108.800 0.001 0.000 2.254 372 G HA2 -0.275 3.685 3.960 0.000 0.000 0.225 372 G HA3 -0.275 3.685 3.960 0.000 0.000 0.225 372 G C 0.501 175.399 174.900 -0.004 0.000 1.003 372 G CA 0.301 45.401 45.100 0.001 0.000 0.622 372 G HN 0.865 nan 8.290 nan 0.000 0.507 373 S N 0.628 116.325 115.700 -0.006 0.000 2.608 373 S HA 0.705 5.175 4.470 0.000 0.000 0.261 373 S C 0.618 175.211 174.600 -0.011 0.000 1.314 373 S CA -0.603 57.591 58.200 -0.010 0.000 0.992 373 S CB 1.233 64.424 63.200 -0.015 0.000 0.935 373 S HN 0.695 nan 8.310 nan 0.000 0.564 374 L N 0.722 121.937 121.223 -0.012 0.000 2.417 374 L HA 0.285 4.625 4.340 0.000 0.000 0.268 374 L C -0.001 176.865 176.870 -0.006 0.000 1.158 374 L CA -0.654 54.182 54.840 -0.008 0.000 0.819 374 L CB 0.383 42.444 42.059 0.003 0.000 1.112 374 L HN 0.837 nan 8.230 nan 0.000 0.458 375 W N 3.848 125.062 121.300 -0.144 0.000 2.311 375 W HA 0.340 5.000 4.660 0.000 0.000 0.310 375 W C -0.553 175.877 176.519 -0.148 0.000 1.274 375 W CA -0.092 57.148 57.345 -0.174 0.000 1.215 375 W CB 0.559 29.855 29.460 -0.273 0.000 1.227 375 W HN 0.419 nan 8.180 nan 0.000 0.523 376 Q N 5.690 124.852 119.800 -1.063 0.000 2.435 376 Q HA 0.386 4.726 4.340 0.000 0.000 0.282 376 Q C -1.174 174.341 176.000 -0.809 0.000 1.020 376 Q CA -0.876 54.453 55.803 -0.790 0.000 0.820 376 Q CB 2.578 31.159 28.738 -0.262 0.000 1.436 376 Q HN 0.572 nan 8.270 nan 0.000 0.395 377 W N 0.410 121.338 121.300 -0.620 0.000 2.959 377 W HA 0.471 5.131 4.660 0.000 0.000 0.358 377 W C -1.310 175.117 176.519 -0.153 0.000 1.228 377 W CA -0.983 56.144 57.345 -0.364 0.000 1.183 377 W CB -0.008 29.260 29.460 -0.319 0.000 1.467 377 W HN 0.493 nan 8.180 nan 0.000 0.578 378 D N 0.902 121.303 120.400 0.001 0.000 2.525 378 D HA 0.136 4.776 4.640 0.000 0.000 0.229 378 D C -0.396 175.784 176.300 -0.199 0.000 1.202 378 D CA 0.042 53.991 54.000 -0.085 0.000 0.828 378 D CB 0.471 41.218 40.800 -0.087 0.000 1.008 378 D HN 0.154 nan 8.370 nan 0.000 0.493 379 K N 0.209 120.281 120.400 -0.546 0.000 2.172 379 K HA 0.110 4.430 4.320 0.000 0.000 0.276 379 K C 0.550 177.216 176.600 0.110 0.000 1.013 379 K CA -0.627 55.404 56.287 -0.427 0.000 0.913 379 K CB 1.959 33.825 32.500 -1.057 0.000 1.055 379 K HN 0.121 nan 8.250 nan 0.000 0.461 380 W N 0.996 122.328 121.300 0.053 0.000 0.537 380 W HA -0.339 4.321 4.660 0.000 0.000 0.215 380 W C -0.978 175.675 176.519 0.224 0.000 0.916 380 W CA 1.473 58.949 57.345 0.218 0.000 0.333 380 W CB -0.377 29.230 29.460 0.244 0.000 1.910 380 W HN 0.563 nan 8.180 nan 0.000 1.297 381 Q N 0.517 120.386 119.800 0.114 0.000 2.309 381 Q HA 0.359 4.699 4.340 0.000 0.000 0.273 381 Q C -2.271 173.761 176.000 0.054 0.000 1.040 381 Q CA -1.589 54.215 55.803 0.003 0.000 0.834 381 Q CB 2.024 30.798 28.738 0.059 0.000 1.345 381 Q HN -0.055 nan 8.270 nan 0.000 0.414 382 P HA 0.000 nan 4.420 nan 0.000 0.268 382 P C 0.598 177.841 177.300 -0.095 0.000 1.204 382 P CA 0.750 63.779 63.100 -0.118 0.000 0.768 382 P CB 0.445 31.973 31.700 -0.287 0.000 0.842 383 G N 2.534 111.285 108.800 -0.081 0.000 2.258 383 G HA2 -0.291 3.669 3.960 0.000 0.000 0.274 383 G HA3 -0.291 3.669 3.960 0.000 0.000 0.274 383 G C 0.080 175.007 174.900 0.045 0.000 1.021 383 G CA 0.123 45.162 45.100 -0.102 0.000 0.798 383 G HN 0.660 nan 8.290 nan 0.000 0.507 384 L N 0.198 121.525 121.223 0.173 0.000 2.559 384 L HA 0.509 4.849 4.340 0.000 0.000 0.274 384 L C 0.732 177.781 176.870 0.298 0.000 1.205 384 L CA 0.387 55.417 54.840 0.316 0.000 0.907 384 L CB 0.355 42.683 42.059 0.448 0.000 1.153 384 L HN 0.516 nan 8.230 nan 0.000 0.490 385 A N 6.397 129.412 122.820 0.324 0.000 2.313 385 A HA 0.801 5.121 4.320 0.000 0.000 0.323 385 A C -0.745 176.900 177.584 0.101 0.000 1.133 385 A CA -0.753 51.394 52.037 0.183 0.000 0.847 385 A CB 1.116 20.126 19.000 0.016 0.000 1.308 385 A HN 0.715 nan 8.150 nan 0.000 0.475 386 I N 0.266 120.837 120.570 0.001 0.000 2.474 386 I HA 0.262 4.432 4.170 0.000 0.000 0.294 386 I C -1.235 174.799 176.117 -0.138 0.000 1.005 386 I CA -0.475 60.812 61.300 -0.022 0.000 1.113 386 I CB 1.607 39.509 38.000 -0.163 0.000 1.289 386 I HN 0.618 nan 8.210 nan 0.000 0.436 387 Y N 3.679 123.884 120.300 -0.158 0.000 2.569 387 Y HA -0.022 4.528 4.550 0.000 0.000 0.332 387 Y C 0.802 176.449 175.900 -0.420 0.000 1.120 387 Y CA 0.122 58.006 58.100 -0.360 0.000 1.416 387 Y CB 0.133 38.205 38.460 -0.647 0.000 1.210 387 Y HN 0.425 nan 8.280 nan 0.000 0.528 388 D N 4.692 125.056 120.400 -0.059 0.000 2.402 388 D HA 0.009 4.649 4.640 0.000 0.000 0.235 388 D C 0.145 176.559 176.300 0.191 0.000 1.226 388 D CA 0.134 54.219 54.000 0.142 0.000 0.918 388 D CB -0.129 40.751 40.800 0.133 0.000 1.043 388 D HN 0.588 nan 8.370 nan 0.000 0.506 389 F N 1.219 121.357 119.950 0.313 0.000 2.802 389 F HA -0.079 4.448 4.527 0.000 0.000 0.300 389 F C 2.425 178.270 175.800 0.076 0.000 1.168 389 F CA 0.274 58.314 58.000 0.067 0.000 1.433 389 F CB 0.308 39.221 39.000 -0.145 0.000 1.115 389 F HN 0.337 nan 8.300 nan 0.000 0.582 390 T N -3.489 111.291 114.554 0.377 0.000 3.081 390 T HA -0.026 4.324 4.350 0.000 0.000 0.250 390 T C 0.676 175.543 174.700 0.277 0.000 1.100 390 T CA -0.181 62.110 62.100 0.319 0.000 1.038 390 T CB -0.262 68.847 68.868 0.402 0.000 0.962 390 T HN 0.000 nan 8.240 nan 0.000 0.516 391 N N 2.293 121.034 118.700 0.069 0.000 2.419 391 N HA 0.258 4.998 4.740 0.000 0.000 0.264 391 N C -2.177 173.161 175.510 -0.287 0.000 1.031 391 N CA -2.073 50.685 53.050 -0.488 0.000 0.951 391 N CB 2.083 40.205 38.487 -0.608 0.000 1.101 391 N HN -0.039 nan 8.380 nan 0.000 0.488 392 P HA -0.079 nan 4.420 nan 0.000 0.215 392 P C 0.473 177.684 177.300 -0.147 0.000 1.153 392 P CA 1.120 64.155 63.100 -0.109 0.000 0.853 392 P CB 0.434 32.120 31.700 -0.022 0.000 0.788 393 D N -0.569 119.687 120.400 -0.240 0.000 2.117 393 D HA -0.098 4.543 4.640 0.000 0.000 0.198 393 D C 2.008 177.981 176.300 -0.545 0.000 0.982 393 D CA 1.440 55.289 54.000 -0.251 0.000 0.828 393 D CB -0.692 40.040 40.800 -0.114 0.000 0.967 393 D HN 0.064 nan 8.370 nan 0.000 0.464 394 A N 0.857 123.184 122.820 -0.823 0.000 1.908 394 A HA -0.204 4.116 4.320 0.000 0.000 0.218 394 A C 2.592 180.139 177.584 -0.061 0.000 1.181 394 A CA 1.361 52.952 52.037 -0.745 0.000 0.627 394 A CB -1.014 17.756 19.000 -0.383 0.000 0.818 394 A HN 0.330 nan 8.150 nan 0.000 0.445 395 C N -0.867 118.435 119.300 0.005 0.000 2.432 395 C HA -0.084 4.376 4.460 0.000 0.000 0.277 395 C C 2.717 177.757 174.990 0.082 0.000 1.249 395 C CA 1.404 60.477 59.018 0.093 0.000 1.725 395 C CB -1.006 26.732 27.740 -0.003 0.000 2.028 395 C HN 0.748 nan 8.230 nan 0.000 0.477 396 K N -0.761 119.656 120.400 0.030 0.000 2.032 396 K HA -0.244 4.076 4.320 0.000 0.000 0.209 396 K C 1.978 178.637 176.600 0.099 0.000 1.048 396 K CA 1.947 58.257 56.287 0.039 0.000 0.927 396 K CB -0.373 32.144 32.500 0.029 0.000 0.712 396 K HN 0.664 nan 8.250 nan 0.000 0.441 397 W N 0.559 121.842 121.300 -0.028 0.000 2.311 397 W HA -0.327 4.333 4.660 0.000 0.000 0.326 397 W C 2.065 178.615 176.519 0.051 0.000 1.239 397 W CA 2.267 59.645 57.345 0.056 0.000 1.258 397 W CB -0.773 28.771 29.460 0.140 0.000 1.165 397 W HN 0.197 nan 8.180 nan 0.000 0.466 398 Y N 0.805 121.345 120.300 0.401 0.000 2.081 398 Y HA -0.330 4.220 4.550 0.000 0.000 0.280 398 Y C 2.436 178.203 175.900 -0.221 0.000 1.163 398 Y CA 3.113 61.302 58.100 0.148 0.000 1.135 398 Y CB -1.082 37.516 38.460 0.230 0.000 0.970 398 Y HN 0.041 nan 8.280 nan 0.000 0.498 399 A N -0.074 122.778 122.820 0.054 0.000 1.908 399 A HA -0.245 4.075 4.320 0.000 0.000 0.218 399 A C 2.022 179.462 177.584 -0.240 0.000 1.181 399 A CA 2.121 54.096 52.037 -0.103 0.000 0.627 399 A CB -0.911 18.052 19.000 -0.062 0.000 0.818 399 A HN 0.569 nan 8.150 nan 0.000 0.445 400 D N -0.299 119.954 120.400 -0.245 0.000 2.117 400 D HA -0.124 4.516 4.640 0.000 0.000 0.197 400 D C 1.840 177.889 176.300 -0.418 0.000 0.987 400 D CA 1.064 54.893 54.000 -0.284 0.000 0.829 400 D CB -0.153 40.492 40.800 -0.259 0.000 0.961 400 D HN 0.221 nan 8.370 nan 0.000 0.460 401 K N 0.658 120.649 120.400 -0.681 0.000 2.103 401 K HA -0.078 4.242 4.320 0.000 0.000 0.207 401 K C 2.381 178.553 176.600 -0.713 0.000 1.048 401 K CA 0.346 56.126 56.287 -0.845 0.000 0.930 401 K CB -0.584 31.002 32.500 -1.524 0.000 0.716 401 K HN 0.281 nan 8.250 nan 0.000 0.444 402 L N 0.759 121.535 121.223 -0.744 0.000 2.056 402 L HA -0.170 4.170 4.340 0.000 0.000 0.207 402 L C 2.354 179.149 176.870 -0.125 0.000 1.078 402 L CA 1.289 55.836 54.840 -0.488 0.000 0.749 402 L CB -0.334 41.374 42.059 -0.584 0.000 0.901 402 L HN 0.153 nan 8.230 nan 0.000 0.433 403 K N 0.026 120.333 120.400 -0.155 0.000 2.147 403 K HA -0.103 4.217 4.320 0.000 0.000 0.205 403 K C 2.143 178.714 176.600 -0.048 0.000 1.049 403 K CA 1.173 57.420 56.287 -0.067 0.000 0.936 403 K CB -0.407 32.039 32.500 -0.089 0.000 0.722 403 K HN 0.394 nan 8.250 nan 0.000 0.446 404 G N 1.479 110.223 108.800 -0.093 0.000 2.418 404 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 404 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 404 G C 1.464 176.378 174.900 0.024 0.000 1.158 404 G CA 0.506 45.578 45.100 -0.047 0.000 0.771 404 G HN 0.102 nan 8.290 nan 0.000 0.545 405 L N 0.162 121.425 121.223 0.065 0.000 2.141 405 L HA -0.037 4.303 4.340 0.000 0.000 0.209 405 L C 2.949 179.875 176.870 0.094 0.000 1.094 405 L CA 0.249 55.179 54.840 0.150 0.000 0.763 405 L CB -0.305 41.917 42.059 0.272 0.000 0.908 405 L HN 0.094 nan 8.230 nan 0.000 0.437 406 V N 0.095 120.067 119.914 0.097 0.000 2.358 406 V HA -0.234 3.886 4.120 0.000 0.000 0.246 406 V C 2.698 178.779 176.094 -0.021 0.000 1.047 406 V CA 1.730 64.040 62.300 0.016 0.000 1.035 406 V CB -0.731 31.114 31.823 0.038 0.000 0.658 406 V HN 0.466 nan 8.190 nan 0.000 0.452 407 A N -0.817 121.995 122.820 -0.012 0.000 2.070 407 A HA -0.188 4.132 4.320 0.000 0.000 0.220 407 A C 2.176 179.740 177.584 -0.032 0.000 1.159 407 A CA 1.931 53.952 52.037 -0.026 0.000 0.656 407 A CB -0.542 18.444 19.000 -0.024 0.000 0.800 407 A HN 0.536 nan 8.150 nan 0.000 0.453 408 M N -1.467 118.120 119.600 -0.022 0.000 2.595 408 M HA 0.189 4.669 4.480 0.000 0.000 0.248 408 M C 1.177 177.436 176.300 -0.068 0.000 1.119 408 M CA 1.126 56.403 55.300 -0.038 0.000 1.079 408 M CB 0.184 32.782 32.600 -0.003 0.000 1.472 408 M HN 0.573 nan 8.290 nan 0.000 0.501 409 G N 0.119 108.876 108.800 -0.071 0.000 2.192 409 G HA2 -0.172 3.788 3.960 0.000 0.000 0.193 409 G HA3 -0.172 3.788 3.960 0.000 0.000 0.193 409 G C -0.084 174.743 174.900 -0.121 0.000 0.999 409 G CA -0.022 45.018 45.100 -0.099 0.000 0.659 409 G HN 0.300 nan 8.290 nan 0.000 0.503 410 V N 1.677 121.523 119.914 -0.112 0.000 2.740 410 V HA 0.284 4.404 4.120 0.000 0.000 0.303 410 V C 1.041 176.979 176.094 -0.261 0.000 1.054 410 V CA 0.840 63.032 62.300 -0.180 0.000 1.106 410 V CB 1.386 33.093 31.823 -0.193 0.000 0.957 410 V HN 0.294 nan 8.190 nan 0.000 0.486 411 D N 1.291 121.507 120.400 -0.306 0.000 2.379 411 D HA 0.150 4.790 4.640 0.000 0.000 0.218 411 D C 0.426 176.572 176.300 -0.257 0.000 1.006 411 D CA 0.827 54.665 54.000 -0.269 0.000 0.893 411 D CB 0.853 41.452 40.800 -0.335 0.000 1.019 411 D HN 0.762 nan 8.370 nan 0.000 0.503 412 C N -1.192 117.883 119.300 -0.376 0.000 3.332 412 C HA 0.792 5.252 4.460 0.000 0.000 0.329 412 C C -1.247 173.407 174.990 -0.561 0.000 1.434 412 C CA -1.317 57.509 59.018 -0.319 0.000 1.314 412 C CB 0.771 28.604 27.740 0.155 0.000 1.664 412 C HN -0.026 nan 8.230 nan 0.000 0.457 413 F N 0.379 120.414 119.950 0.142 0.000 2.577 413 F HA 0.669 5.196 4.527 0.000 0.000 0.318 413 F C 0.107 175.979 175.800 0.120 0.000 1.065 413 F CA -0.700 57.376 58.000 0.127 0.000 0.929 413 F CB 1.711 40.766 39.000 0.092 0.000 1.237 413 F HN 0.734 nan 8.300 nan 0.000 0.468 414 K N 1.499 122.077 120.400 0.296 0.000 2.334 414 K HA 0.287 4.607 4.320 0.000 0.000 0.265 414 K C -0.690 175.945 176.600 0.059 0.000 1.039 414 K CA -0.431 55.926 56.287 0.116 0.000 0.920 414 K CB 0.756 33.189 32.500 -0.111 0.000 1.160 414 K HN 0.756 nan 8.250 nan 0.000 0.451 415 T N 1.102 115.687 114.554 0.051 0.000 3.176 415 T HA 0.094 4.444 4.350 0.000 0.000 0.301 415 T C 0.004 174.720 174.700 0.026 0.000 1.115 415 T CA -0.794 61.262 62.100 -0.073 0.000 1.027 415 T CB 0.249 68.855 68.868 -0.437 0.000 1.063 415 T HN 0.421 nan 8.240 nan 0.000 0.669 416 D N 1.520 121.916 120.400 -0.007 0.000 2.387 416 D HA 0.493 5.133 4.640 0.000 0.000 0.251 416 D C 0.610 177.009 176.300 0.165 0.000 1.141 416 D CA -0.825 53.219 54.000 0.073 0.000 0.987 416 D CB 0.241 41.122 40.800 0.135 0.000 1.116 416 D HN 0.429 nan 8.370 nan 0.000 0.491 417 F N -0.287 119.605 119.950 -0.096 0.000 2.044 417 F HA -0.155 4.372 4.527 0.000 0.000 0.285 417 F C 1.771 177.601 175.800 0.050 0.000 0.130 417 F CA 1.393 59.340 58.000 -0.088 0.000 0.824 417 F CB -1.377 37.450 39.000 -0.289 0.000 3.705 417 F HN 0.587 nan 8.300 nan 0.000 0.324 418 G N -0.961 108.014 108.800 0.292 0.000 2.179 418 G HA2 -0.177 3.783 3.960 0.000 0.000 0.220 418 G HA3 -0.177 3.783 3.960 0.000 0.000 0.220 418 G C 0.650 175.730 174.900 0.301 0.000 0.990 418 G CA 0.565 45.864 45.100 0.332 0.000 0.646 418 G HN 1.068 nan 8.290 nan 0.000 0.517 419 E N 0.467 120.828 120.200 0.268 0.000 2.251 419 E HA 0.090 4.440 4.350 0.000 0.000 0.194 419 E C 1.374 177.992 176.600 0.031 0.000 0.964 419 E CA -0.113 56.352 56.400 0.110 0.000 0.868 419 E CB -0.083 29.726 29.700 0.183 0.000 0.828 419 E HN 0.440 nan 8.360 nan 0.000 0.481 420 R N 1.651 122.291 120.500 0.234 0.000 4.164 420 R HA 0.220 4.560 4.340 0.000 0.000 0.195 420 R C -0.342 175.935 176.300 -0.039 0.000 1.712 420 R CA -0.158 56.082 56.100 0.234 0.000 1.457 420 R CB -0.082 30.498 30.300 0.467 0.000 1.387 420 R HN 0.097 nan 8.270 nan 0.000 0.785 421 I N 3.785 124.269 120.570 -0.143 0.000 2.342 421 I HA 0.215 4.385 4.170 0.000 0.000 0.291 421 I C -1.605 174.432 176.117 -0.133 0.000 1.010 421 I CA -3.302 57.831 61.300 -0.278 0.000 1.308 421 I CB 0.762 38.593 38.000 -0.280 0.000 1.400 421 I HN 0.139 nan 8.210 nan 0.000 0.488 422 P HA 0.210 nan 4.420 nan 0.000 0.276 422 P C 0.364 177.558 177.300 -0.176 0.000 1.244 422 P CA -0.120 62.693 63.100 -0.478 0.000 0.801 422 P CB 1.155 32.102 31.700 -1.256 0.000 1.006 423 T N -3.531 111.021 114.554 -0.003 0.000 2.990 423 T HA 0.008 4.358 4.350 0.000 0.000 0.249 423 T C 0.607 175.339 174.700 0.052 0.000 1.039 423 T CA 0.045 62.213 62.100 0.113 0.000 1.036 423 T CB -0.626 68.368 68.868 0.209 0.000 0.994 423 T HN 0.393 nan 8.240 nan 0.000 0.489 424 D N 3.266 123.675 120.400 0.016 0.000 3.032 424 D HA 0.268 4.908 4.640 0.000 0.000 0.241 424 D C 0.596 176.898 176.300 0.003 0.000 1.196 424 D CA -0.421 53.606 54.000 0.044 0.000 0.927 424 D CB -0.321 40.538 40.800 0.099 0.000 1.129 424 D HN 0.530 nan 8.370 nan 0.000 0.458 425 V N -3.329 116.537 119.914 -0.081 0.000 3.084 425 V HA 0.632 4.752 4.120 0.000 0.000 0.311 425 V C -1.074 174.926 176.094 -0.156 0.000 1.311 425 V CA -1.276 60.914 62.300 -0.184 0.000 1.062 425 V CB 1.733 33.266 31.823 -0.484 0.000 1.113 425 V HN 0.137 nan 8.190 nan 0.000 0.468 426 Q N -0.076 119.582 119.800 -0.237 0.000 2.444 426 Q HA 0.386 4.726 4.340 0.000 0.000 0.251 426 Q C -1.878 174.042 176.000 -0.134 0.000 0.939 426 Q CA -0.432 55.311 55.803 -0.099 0.000 0.740 426 Q CB 1.256 29.979 28.738 -0.025 0.000 1.308 426 Q HN 0.770 nan 8.270 nan 0.000 0.461 427 W N 2.700 124.036 121.300 0.060 0.000 2.123 427 W HA 0.084 4.744 4.660 0.000 0.000 0.351 427 W C 1.194 177.796 176.519 0.138 0.000 1.292 427 W CA -0.326 57.083 57.345 0.108 0.000 1.263 427 W CB 0.243 29.771 29.460 0.115 0.000 1.165 427 W HN 0.699 nan 8.180 nan 0.000 0.590 428 F N 2.594 122.717 119.950 0.289 0.000 2.069 428 F HA -0.336 4.191 4.527 0.000 0.000 0.298 428 F C 2.284 178.192 175.800 0.178 0.000 1.113 428 F CA 2.502 60.616 58.000 0.191 0.000 1.214 428 F CB -0.373 38.738 39.000 0.186 0.000 0.978 428 F HN 0.418 nan 8.300 nan 0.000 0.474 429 D N -0.771 119.819 120.400 0.316 0.000 2.378 429 D HA 0.052 4.692 4.640 0.000 0.000 0.227 429 D C 1.783 178.133 176.300 0.083 0.000 1.012 429 D CA 0.979 55.066 54.000 0.145 0.000 0.905 429 D CB -0.718 40.217 40.800 0.224 0.000 0.895 429 D HN 0.536 nan 8.370 nan 0.000 0.532 430 G N -0.329 108.555 108.800 0.139 0.000 2.159 430 G HA2 -0.296 3.664 3.960 0.000 0.000 0.256 430 G HA3 -0.296 3.664 3.960 0.000 0.000 0.256 430 G C 0.450 175.431 174.900 0.134 0.000 0.977 430 G CA 0.279 45.450 45.100 0.118 0.000 0.652 430 G HN 0.466 nan 8.290 nan 0.000 0.531 431 S N 0.072 115.856 115.700 0.139 0.000 2.564 431 S HA 0.305 4.775 4.470 0.000 0.000 0.263 431 S C 0.407 175.062 174.600 0.092 0.000 1.378 431 S CA 0.648 58.868 58.200 0.033 0.000 0.996 431 S CB 0.734 63.855 63.200 -0.132 0.000 0.881 431 S HN 0.656 nan 8.310 nan 0.000 0.555 432 D N 0.538 120.956 120.400 0.030 0.000 2.277 432 D HA 0.305 4.945 4.640 0.000 0.000 0.249 432 D C -1.833 174.544 176.300 0.129 0.000 1.134 432 D CA -2.139 51.916 54.000 0.091 0.000 0.863 432 D CB 1.118 41.955 40.800 0.062 0.000 1.143 432 D HN -0.024 nan 8.370 nan 0.000 0.458 433 P HA -0.188 nan 4.420 nan 0.000 0.216 433 P C 1.156 178.631 177.300 0.293 0.000 1.153 433 P CA 1.170 64.490 63.100 0.368 0.000 0.858 433 P CB 0.188 32.076 31.700 0.314 0.000 0.789 434 Q N -0.357 119.591 119.800 0.248 0.000 2.226 434 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 434 Q C 1.767 177.940 176.000 0.287 0.000 0.975 434 Q CA 1.423 57.411 55.803 0.309 0.000 0.866 434 Q CB -0.417 28.450 28.738 0.216 0.000 0.915 434 Q HN 0.443 nan 8.270 nan 0.000 0.440 435 K N -0.893 119.596 120.400 0.149 0.000 2.242 435 K HA 0.150 4.470 4.320 0.000 0.000 0.200 435 K C 1.949 178.560 176.600 0.020 0.000 1.050 435 K CA 0.009 56.333 56.287 0.061 0.000 0.981 435 K CB 0.168 32.637 32.500 -0.051 0.000 0.795 435 K HN 0.062 nan 8.250 nan 0.000 0.477 436 M N 0.535 120.113 119.600 -0.037 0.000 2.229 436 M HA -0.127 4.353 4.480 0.000 0.000 0.264 436 M C 1.972 178.259 176.300 -0.023 0.000 1.063 436 M CA 1.606 56.797 55.300 -0.182 0.000 1.114 436 M CB -0.861 31.310 32.600 -0.716 0.000 1.387 436 M HN 0.225 nan 8.290 nan 0.000 0.420 437 H N 1.233 120.275 119.070 -0.047 0.000 2.265 437 H HA -0.175 4.381 4.556 0.000 0.000 0.293 437 H C 1.737 176.965 175.328 -0.168 0.000 1.089 437 H CA 2.585 58.515 56.048 -0.197 0.000 1.244 437 H CB 0.080 29.471 29.762 -0.618 0.000 1.355 437 H HN 0.332 nan 8.280 nan 0.000 0.485 438 N N -0.999 117.646 118.700 -0.092 0.000 2.290 438 N HA -0.116 4.624 4.740 0.000 0.000 0.179 438 N C 1.735 177.338 175.510 0.155 0.000 1.016 438 N CA 1.065 54.116 53.050 0.001 0.000 0.871 438 N CB -0.486 38.106 38.487 0.176 0.000 0.987 438 N HN 0.491 nan 8.380 nan 0.000 0.431 439 H N -0.263 118.842 119.070 0.058 0.000 2.521 439 H HA -0.044 4.512 4.556 0.000 0.000 0.286 439 H C 1.679 177.086 175.328 0.132 0.000 1.034 439 H CA 0.859 56.962 56.048 0.093 0.000 1.278 439 H CB -0.206 29.543 29.762 -0.023 0.000 1.386 439 H HN 0.236 nan 8.280 nan 0.000 0.567 440 Y N 0.286 120.552 120.300 -0.057 0.000 2.128 440 Y HA -0.258 4.292 4.550 0.000 0.000 0.284 440 Y C 2.602 178.541 175.900 0.066 0.000 1.154 440 Y CA 1.925 59.999 58.100 -0.044 0.000 1.149 440 Y CB -0.774 37.671 38.460 -0.025 0.000 0.976 440 Y HN 0.280 nan 8.280 nan 0.000 0.505 441 A N -0.519 122.440 122.820 0.231 0.000 1.917 441 A HA -0.321 3.999 4.320 0.000 0.000 0.219 441 A C 2.164 179.798 177.584 0.083 0.000 1.182 441 A CA 2.075 54.245 52.037 0.221 0.000 0.633 441 A CB -1.661 17.460 19.000 0.202 0.000 0.819 441 A HN 0.753 nan 8.150 nan 0.000 0.448 442 Y N 0.458 120.722 120.300 -0.061 0.000 2.163 442 Y HA -0.179 4.371 4.550 0.000 0.000 0.288 442 Y C 2.074 177.829 175.900 -0.243 0.000 1.136 442 Y CA 1.758 59.808 58.100 -0.084 0.000 1.147 442 Y CB -0.086 38.300 38.460 -0.123 0.000 0.987 442 Y HN 0.244 nan 8.280 nan 0.000 0.509 443 I N 0.035 120.419 120.570 -0.311 0.000 2.286 443 I HA -0.327 3.843 4.170 0.000 0.000 0.248 443 I C 2.347 178.144 176.117 -0.533 0.000 1.115 443 I CA 1.550 62.614 61.300 -0.393 0.000 1.392 443 I CB -1.797 36.014 38.000 -0.314 0.000 1.065 443 I HN 0.440 nan 8.210 nan 0.000 0.418 444 Y N 2.434 122.340 120.300 -0.657 0.000 2.049 444 Y HA -0.309 4.241 4.550 0.000 0.000 0.277 444 Y C 2.644 178.179 175.900 -0.607 0.000 1.143 444 Y CA 1.689 59.371 58.100 -0.695 0.000 1.115 444 Y CB -0.122 38.103 38.460 -0.391 0.000 0.975 444 Y HN 0.174 nan 8.280 nan 0.000 0.487 445 N N 0.672 118.986 118.700 -0.643 0.000 2.104 445 N HA -0.244 4.496 4.740 0.000 0.000 0.190 445 N C 1.809 176.763 175.510 -0.927 0.000 1.024 445 N CA 1.688 54.302 53.050 -0.726 0.000 0.853 445 N CB -0.513 37.696 38.487 -0.463 0.000 1.008 445 N HN 0.601 nan 8.380 nan 0.000 0.424 446 E N 1.366 120.816 120.200 -1.250 0.000 2.070 446 E HA -0.190 4.160 4.350 0.000 0.000 0.197 446 E C 2.220 178.395 176.600 -0.708 0.000 1.004 446 E CA 0.825 56.346 56.400 -1.464 0.000 0.805 446 E CB -0.180 28.863 29.700 -1.096 0.000 0.744 446 E HN 0.278 nan 8.360 nan 0.000 0.451 447 L N 0.506 121.377 121.223 -0.586 0.000 1.989 447 L HA -0.209 4.131 4.340 0.000 0.000 0.211 447 L C 2.420 179.108 176.870 -0.304 0.000 1.071 447 L CA 1.504 56.085 54.840 -0.432 0.000 0.749 447 L CB -0.245 41.447 42.059 -0.611 0.000 0.890 447 L HN 0.100 nan 8.230 nan 0.000 0.431 448 V N -0.611 119.117 119.914 -0.310 0.000 2.295 448 V HA -0.333 3.787 4.120 0.000 0.000 0.246 448 V C 2.163 178.206 176.094 -0.085 0.000 1.049 448 V CA 2.286 64.481 62.300 -0.176 0.000 1.024 448 V CB -1.116 30.605 31.823 -0.170 0.000 0.648 448 V HN 0.748 nan 8.190 nan 0.000 0.447 449 W N 1.650 122.751 121.300 -0.332 0.000 2.318 449 W HA -0.252 4.408 4.660 0.000 0.000 0.313 449 W C 2.176 178.605 176.519 -0.150 0.000 1.221 449 W CA 2.247 59.451 57.345 -0.236 0.000 1.266 449 W CB -0.531 28.673 29.460 -0.426 0.000 1.150 449 W HN 0.345 nan 8.180 nan 0.000 0.496 450 N N 0.339 119.024 118.700 -0.026 0.000 2.364 450 N HA -0.149 4.591 4.740 0.000 0.000 0.183 450 N C 1.633 177.078 175.510 -0.108 0.000 1.022 450 N CA 1.594 54.615 53.050 -0.049 0.000 0.883 450 N CB -0.638 37.826 38.487 -0.038 0.000 0.965 450 N HN 0.033 nan 8.380 nan 0.000 0.438 451 V N 0.409 120.256 119.914 -0.113 0.000 2.346 451 V HA -0.096 4.024 4.120 0.000 0.000 0.244 451 V C 2.126 178.171 176.094 -0.081 0.000 1.037 451 V CA 0.900 63.152 62.300 -0.081 0.000 1.029 451 V CB -0.317 31.468 31.823 -0.063 0.000 0.663 451 V HN 0.230 nan 8.190 nan 0.000 0.454 452 L N 0.242 121.395 121.223 -0.116 0.000 2.046 452 L HA -0.188 4.152 4.340 0.000 0.000 0.208 452 L C 2.382 179.111 176.870 -0.235 0.000 1.077 452 L CA 2.000 56.743 54.840 -0.162 0.000 0.747 452 L CB -1.464 40.438 42.059 -0.261 0.000 0.896 452 L HN 0.386 nan 8.230 nan 0.000 0.432 453 K N -0.074 120.115 120.400 -0.351 0.000 2.074 453 K HA -0.207 4.113 4.320 0.000 0.000 0.209 453 K C 1.434 177.960 176.600 -0.123 0.000 1.048 453 K CA 1.794 57.921 56.287 -0.268 0.000 0.926 453 K CB 0.095 32.459 32.500 -0.227 0.000 0.713 453 K HN 0.335 nan 8.250 nan 0.000 0.444 454 D N -0.787 119.556 120.400 -0.095 0.000 2.348 454 D HA -0.057 4.583 4.640 0.000 0.000 0.211 454 D C 1.645 177.916 176.300 -0.049 0.000 0.998 454 D CA 1.220 55.187 54.000 -0.055 0.000 0.873 454 D CB 0.461 41.235 40.800 -0.043 0.000 0.925 454 D HN 0.480 nan 8.370 nan 0.000 0.524 455 T N -1.223 113.297 114.554 -0.058 0.000 3.395 455 T HA -0.034 4.316 4.350 0.000 0.000 0.230 455 T C 2.162 176.835 174.700 -0.045 0.000 0.958 455 T CA 0.914 62.988 62.100 -0.044 0.000 1.377 455 T CB -0.827 68.021 68.868 -0.034 0.000 1.124 455 T HN -0.042 nan 8.240 nan 0.000 0.425 456 V N -0.075 119.807 119.914 -0.053 0.000 2.913 456 V HA 0.476 4.596 4.120 0.000 0.000 0.260 456 V C 1.350 177.423 176.094 -0.034 0.000 1.098 456 V CA 0.204 62.480 62.300 -0.040 0.000 1.121 456 V CB -1.866 29.937 31.823 -0.032 0.000 0.714 456 V HN 1.318 nan 8.190 nan 0.000 0.487 457 G N -0.060 108.705 108.800 -0.059 0.000 2.712 457 G HA2 -0.160 3.800 3.960 0.000 0.000 0.686 457 G HA3 -0.160 3.800 3.960 0.000 0.000 0.686 457 G C 0.088 174.938 174.900 -0.083 0.000 1.181 457 G CA 0.157 45.228 45.100 -0.048 0.000 0.762 457 G HN 0.424 nan 8.290 nan 0.000 0.641 458 E N 0.350 120.512 120.200 -0.063 0.000 2.058 458 E HA -0.219 4.131 4.350 0.000 0.000 0.194 458 E C 2.173 178.760 176.600 -0.021 0.000 0.997 458 E CA 2.119 58.480 56.400 -0.065 0.000 0.801 458 E CB -0.019 29.711 29.700 0.050 0.000 0.746 458 E HN 0.650 nan 8.360 nan 0.000 0.450 459 E N 0.584 120.803 120.200 0.031 0.000 2.273 459 E HA -0.192 4.158 4.350 0.000 0.000 0.198 459 E C 1.686 178.318 176.600 0.053 0.000 1.002 459 E CA 1.155 57.595 56.400 0.066 0.000 0.828 459 E CB -0.046 29.700 29.700 0.077 0.000 0.747 459 E HN 0.296 nan 8.360 nan 0.000 0.491 460 E N 0.000 120.216 120.200 0.026 0.000 2.364 460 E HA 0.209 4.559 4.350 0.000 0.000 0.196 460 E C 0.456 177.052 176.600 -0.008 0.000 0.990 460 E CA 0.405 56.853 56.400 0.080 0.000 0.886 460 E CB 0.129 29.921 29.700 0.154 0.000 0.866 460 E HN 0.211 nan 8.360 nan 0.000 0.493 461 A N 1.592 124.293 122.820 -0.199 0.000 2.531 461 A HA 0.281 4.601 4.320 0.000 0.000 0.236 461 A C 0.184 177.590 177.584 -0.297 0.000 1.062 461 A CA 0.257 52.024 52.037 -0.450 0.000 0.760 461 A CB 0.494 18.804 19.000 -1.150 0.000 0.995 461 A HN 0.033 nan 8.150 nan 0.000 0.501 462 V N 3.362 123.213 119.914 -0.105 0.000 3.177 462 V HA 0.618 4.738 4.120 0.000 0.000 0.287 462 V C -1.273 174.962 176.094 0.234 0.000 1.465 462 V CA -0.567 61.826 62.300 0.155 0.000 1.020 462 V CB 1.762 33.600 31.823 0.025 0.000 1.152 462 V HN 0.966 nan 8.190 nan 0.000 0.448 463 L N 3.632 125.006 121.223 0.253 0.000 2.301 463 L HA 0.690 5.030 4.340 0.000 0.000 0.249 463 L C -1.629 175.337 176.870 0.160 0.000 1.069 463 L CA -0.643 54.332 54.840 0.225 0.000 0.865 463 L CB 2.403 44.562 42.059 0.167 0.000 1.467 463 L HN 0.625 nan 8.230 nan 0.000 0.419 464 F N 1.138 121.043 119.950 -0.076 0.000 2.809 464 F HA 0.601 5.128 4.527 0.000 0.000 0.369 464 F C 0.119 175.979 175.800 0.100 0.000 1.225 464 F CA -0.563 57.364 58.000 -0.122 0.000 1.201 464 F CB 1.240 40.029 39.000 -0.352 0.000 1.527 464 F HN 0.363 nan 8.300 nan 0.000 0.565 465 A N 3.208 125.976 122.820 -0.087 0.000 2.310 465 A HA 0.577 4.897 4.320 0.000 0.000 0.299 465 A C 1.111 178.472 177.584 -0.371 0.000 1.147 465 A CA -0.477 51.443 52.037 -0.195 0.000 0.818 465 A CB 0.930 19.656 19.000 -0.456 0.000 1.096 465 A HN 0.825 nan 8.150 nan 0.000 0.495 466 R N 0.808 120.991 120.500 -0.528 0.000 2.225 466 R HA 0.083 4.423 4.340 0.000 0.000 0.194 466 R C 0.450 176.452 176.300 -0.496 0.000 0.957 466 R CA 1.130 56.629 56.100 -1.002 0.000 1.042 466 R CB 0.124 29.666 30.300 -1.263 0.000 1.004 466 R HN 0.810 nan 8.270 nan 0.000 0.509 467 S N -0.583 114.997 115.700 -0.200 0.000 2.578 467 S HA 0.849 5.319 4.470 0.000 0.000 0.301 467 S C -0.647 173.997 174.600 0.075 0.000 1.091 467 S CA -0.573 57.621 58.200 -0.010 0.000 1.032 467 S CB 2.382 65.635 63.200 0.088 0.000 1.064 467 S HN 0.236 nan 8.310 nan 0.000 0.508 468 A N 0.739 123.613 122.820 0.090 0.000 2.610 468 A HA 0.891 5.211 4.320 0.000 0.000 0.291 468 A C -0.502 177.195 177.584 0.188 0.000 1.086 468 A CA -0.665 51.469 52.037 0.162 0.000 0.677 468 A CB 1.380 20.399 19.000 0.031 0.000 1.278 468 A HN 1.097 nan 8.150 nan 0.000 0.414 469 S N -0.962 114.911 115.700 0.290 0.000 2.720 469 S HA 0.635 5.105 4.470 0.000 0.000 0.287 469 S C -0.801 173.935 174.600 0.227 0.000 1.168 469 S CA -0.331 58.039 58.200 0.284 0.000 0.832 469 S CB 1.449 64.862 63.200 0.354 0.000 1.166 469 S HN 1.309 nan 8.310 nan 0.000 0.493 470 V N 2.566 122.492 119.914 0.020 0.000 2.557 470 V HA 0.383 4.503 4.120 0.000 0.000 0.301 470 V C 1.660 177.613 176.094 -0.234 0.000 1.026 470 V CA 1.862 63.990 62.300 -0.286 0.000 1.137 470 V CB -0.082 31.138 31.823 -1.005 0.000 0.917 470 V HN 1.419 nan 8.190 nan 0.000 0.484 471 G N 4.224 112.839 108.800 -0.308 0.000 2.213 471 G HA2 -0.203 3.757 3.960 0.000 0.000 0.236 471 G HA3 -0.203 3.757 3.960 0.000 0.000 0.236 471 G C 0.918 175.711 174.900 -0.178 0.000 0.991 471 G CA 0.253 45.188 45.100 -0.276 0.000 0.629 471 G HN 1.353 nan 8.290 nan 0.000 0.517 472 A N 0.844 123.659 122.820 -0.008 0.000 2.168 472 A HA 0.177 4.497 4.320 0.000 0.000 0.215 472 A C 2.237 179.665 177.584 -0.259 0.000 1.152 472 A CA 2.000 54.046 52.037 0.015 0.000 0.716 472 A CB -0.321 18.931 19.000 0.421 0.000 0.794 472 A HN 0.882 nan 8.150 nan 0.000 0.465 473 Q N 0.624 119.974 119.800 -0.750 0.000 2.364 473 Q HA -0.140 4.200 4.340 0.000 0.000 0.207 473 Q C 1.156 176.789 176.000 -0.611 0.000 0.970 473 Q CA 1.529 56.790 55.803 -0.902 0.000 0.888 473 Q CB -0.480 27.416 28.738 -1.403 0.000 0.951 473 Q HN 0.643 nan 8.270 nan 0.000 0.469 474 K N 0.243 120.100 120.400 -0.905 0.000 2.362 474 K HA -0.012 4.308 4.320 0.000 0.000 0.200 474 K C -0.245 175.579 176.600 -1.294 0.000 1.046 474 K CA 0.570 56.227 56.287 -1.050 0.000 0.952 474 K CB 0.070 31.846 32.500 -1.207 0.000 0.753 474 K HN 0.173 nan 8.250 nan 0.000 0.466 475 F N 2.133 121.669 119.950 -0.689 0.000 2.434 475 F HA 0.260 4.787 4.527 0.000 0.000 0.316 475 F C -2.180 173.410 175.800 -0.350 0.000 1.222 475 F CA -3.908 53.499 58.000 -0.988 0.000 1.207 475 F CB -0.383 38.244 39.000 -0.622 0.000 1.466 475 F HN -0.162 nan 8.300 nan 0.000 0.545 476 P HA -0.175 nan 4.420 nan 0.000 0.270 476 P C 0.297 177.579 177.300 -0.029 0.000 1.181 476 P CA 0.646 63.788 63.100 0.070 0.000 0.767 476 P CB 1.349 33.088 31.700 0.066 0.000 0.799 477 V N 1.920 121.831 119.914 -0.004 0.000 3.585 477 V HA -0.231 3.889 4.120 0.000 0.000 0.489 477 V C -1.263 174.579 176.094 -0.419 0.000 0.682 477 V CA 0.966 63.077 62.300 -0.314 0.000 2.013 477 V CB -1.600 29.700 31.823 -0.871 0.000 2.442 477 V HN 0.825 nan 8.190 nan 0.000 0.504 478 H N 5.837 124.726 119.070 -0.301 0.000 2.679 478 H HA 0.827 5.383 4.556 0.000 0.000 0.367 478 H C -0.159 174.934 175.328 -0.392 0.000 1.162 478 H CA 0.269 56.145 56.048 -0.287 0.000 1.181 478 H CB 1.423 31.070 29.762 -0.192 0.000 1.693 478 H HN 1.007 nan 8.280 nan 0.000 0.538 479 W N 0.902 121.904 121.300 -0.495 0.000 2.761 479 W HA 0.556 5.216 4.660 0.000 0.000 0.340 479 W C 0.524 176.893 176.519 -0.249 0.000 1.072 479 W CA -1.393 55.582 57.345 -0.616 0.000 1.215 479 W CB 1.014 30.099 29.460 -0.626 0.000 1.420 479 W HN 0.690 nan 8.180 nan 0.000 0.519 480 G N 1.978 110.637 108.800 -0.236 0.000 2.843 480 G HA2 0.292 4.252 3.960 0.000 0.000 0.205 480 G HA3 0.292 4.252 3.960 0.000 0.000 0.205 480 G C 0.850 175.769 174.900 0.031 0.000 1.160 480 G CA 0.659 45.897 45.100 0.230 0.000 0.819 480 G HN 1.632 nan 8.290 nan 0.000 0.516 481 G N 0.293 108.692 108.800 -0.668 0.000 2.562 481 G HA2 -0.260 3.700 3.960 0.000 0.000 0.250 481 G HA3 -0.260 3.700 3.960 0.000 0.000 0.250 481 G C -0.491 174.432 174.900 0.037 0.000 1.269 481 G CA -0.068 44.748 45.100 -0.474 0.000 0.919 481 G HN 0.278 nan 8.290 nan 0.000 0.574 482 D N 1.575 121.975 120.400 0.001 0.000 2.435 482 D HA 0.428 5.068 4.640 0.000 0.000 0.230 482 D C 1.085 177.583 176.300 0.330 0.000 1.215 482 D CA 0.657 54.700 54.000 0.071 0.000 0.947 482 D CB -0.465 40.370 40.800 0.058 0.000 1.048 482 D HN 0.878 nan 8.370 nan 0.000 0.512 483 C N 1.226 120.768 119.300 0.405 0.000 2.349 483 C HA 0.645 5.105 4.460 0.000 0.000 0.361 483 C C 0.344 175.685 174.990 0.584 0.000 1.189 483 C CA -1.079 58.228 59.018 0.481 0.000 2.155 483 C CB 0.162 28.215 27.740 0.521 0.000 2.336 483 C HN 0.471 nan 8.230 nan 0.000 0.540 484 Y N -0.260 120.219 120.300 0.298 0.000 2.458 484 Y HA 0.505 5.055 4.550 0.000 0.000 0.322 484 Y C 1.057 177.118 175.900 0.268 0.000 1.259 484 Y CA -0.688 57.555 58.100 0.238 0.000 1.302 484 Y CB 1.172 39.750 38.460 0.196 0.000 1.314 484 Y HN 0.878 nan 8.280 nan 0.000 0.509 485 A N 2.570 125.555 122.820 0.275 0.000 3.118 485 A HA 0.271 4.591 4.320 0.000 0.000 0.256 485 A C -0.935 176.803 177.584 0.257 0.000 1.667 485 A CA -0.210 51.949 52.037 0.204 0.000 1.338 485 A CB -1.739 17.290 19.000 0.049 0.000 1.127 485 A HN 0.751 nan 8.150 nan 0.000 0.634 486 N N -2.698 116.235 118.700 0.388 0.000 2.708 486 N HA 0.394 5.134 4.740 0.000 0.000 0.257 486 N C -0.065 175.613 175.510 0.281 0.000 1.373 486 N CA -0.812 52.371 53.050 0.222 0.000 0.843 486 N CB 0.335 38.956 38.487 0.224 0.000 1.503 486 N HN -0.091 nan 8.380 nan 0.000 0.504 487 Y N 0.141 120.643 120.300 0.337 0.000 2.097 487 Y HA -0.123 4.427 4.550 0.000 0.000 0.282 487 Y C 1.833 177.870 175.900 0.227 0.000 1.152 487 Y CA 1.775 60.062 58.100 0.312 0.000 1.136 487 Y CB -0.607 38.049 38.460 0.326 0.000 0.975 487 Y HN 0.680 nan 8.280 nan 0.000 0.498 488 E N -0.449 119.947 120.200 0.327 0.000 2.086 488 E HA -0.242 4.108 4.350 0.000 0.000 0.200 488 E C 2.452 179.151 176.600 0.165 0.000 1.012 488 E CA 1.852 58.358 56.400 0.175 0.000 0.812 488 E CB -0.622 29.160 29.700 0.137 0.000 0.743 488 E HN 0.242 nan 8.360 nan 0.000 0.453 489 S N -0.789 115.050 115.700 0.231 0.000 2.453 489 S HA -0.068 4.402 4.470 0.000 0.000 0.231 489 S C 1.812 176.583 174.600 0.285 0.000 1.005 489 S CA 0.994 59.355 58.200 0.268 0.000 0.949 489 S CB -0.147 63.283 63.200 0.383 0.000 0.774 489 S HN 0.302 nan 8.310 nan 0.000 0.510 490 M N 0.762 120.452 119.600 0.151 0.000 2.156 490 M HA 0.048 4.528 4.480 0.000 0.000 0.264 490 M C 2.095 178.503 176.300 0.180 0.000 1.067 490 M CA 1.514 56.677 55.300 -0.228 0.000 1.131 490 M CB -0.413 31.909 32.600 -0.463 0.000 1.368 490 M HN 0.421 nan 8.290 nan 0.000 0.416 491 A N 1.081 124.015 122.820 0.190 0.000 1.877 491 A HA -0.234 4.086 4.320 0.000 0.000 0.216 491 A C 1.945 179.570 177.584 0.067 0.000 1.186 491 A CA 1.943 53.957 52.037 -0.038 0.000 0.620 491 A CB -1.133 17.633 19.000 -0.389 0.000 0.822 491 A HN 0.773 nan 8.150 nan 0.000 0.443 492 E N 0.069 120.340 120.200 0.119 0.000 2.160 492 E HA -0.180 4.170 4.350 0.000 0.000 0.195 492 E C 1.834 178.648 176.600 0.357 0.000 0.991 492 E CA 1.688 58.204 56.400 0.194 0.000 0.810 492 E CB -0.378 29.418 29.700 0.160 0.000 0.742 492 E HN 0.469 nan 8.360 nan 0.000 0.466 493 S N 0.888 116.816 115.700 0.380 0.000 2.387 493 S HA -0.085 4.385 4.470 0.000 0.000 0.226 493 S C 1.820 176.717 174.600 0.495 0.000 1.026 493 S CA 0.895 59.439 58.200 0.573 0.000 0.972 493 S CB -0.303 63.281 63.200 0.640 0.000 0.814 493 S HN 0.261 nan 8.310 nan 0.000 0.477 494 L N 2.603 124.042 121.223 0.361 0.000 2.017 494 L HA -0.048 4.292 4.340 0.000 0.000 0.208 494 L C 2.217 179.038 176.870 -0.082 0.000 1.073 494 L CA 1.698 56.640 54.840 0.169 0.000 0.745 494 L CB -0.568 41.528 42.059 0.061 0.000 0.894 494 L HN 0.119 nan 8.230 nan 0.000 0.432 495 R N -0.460 120.036 120.500 -0.007 0.000 2.103 495 R HA -0.159 4.181 4.340 0.000 0.000 0.242 495 R C 2.191 178.370 176.300 -0.201 0.000 1.142 495 R CA 1.384 57.440 56.100 -0.073 0.000 0.960 495 R CB -1.195 29.104 30.300 -0.002 0.000 0.858 495 R HN 0.604 nan 8.270 nan 0.000 0.439 496 G N 0.139 108.849 108.800 -0.150 0.000 2.422 496 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 496 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 496 G C 1.493 175.955 174.900 -0.730 0.000 1.146 496 G CA 0.818 45.664 45.100 -0.423 0.000 0.769 496 G HN 0.468 nan 8.290 nan 0.000 0.547 497 G N 0.679 108.758 108.800 -1.201 0.000 2.403 497 G HA2 -0.069 3.891 3.960 0.000 0.000 0.216 497 G HA3 -0.069 3.891 3.960 0.000 0.000 0.216 497 G C 1.779 176.067 174.900 -1.021 0.000 1.154 497 G CA 0.536 44.313 45.100 -2.204 0.000 0.784 497 G HN 0.414 nan 8.290 nan 0.000 0.538 498 L N 0.717 121.565 121.223 -0.625 0.000 2.056 498 L HA -0.061 4.279 4.340 0.000 0.000 0.207 498 L C 3.173 179.859 176.870 -0.307 0.000 1.078 498 L CA 1.128 55.751 54.840 -0.361 0.000 0.749 498 L CB -0.447 41.483 42.059 -0.216 0.000 0.901 498 L HN 0.166 nan 8.230 nan 0.000 0.433 499 S N 0.095 115.599 115.700 -0.326 0.000 2.370 499 S HA -0.197 4.273 4.470 0.000 0.000 0.226 499 S C 1.955 176.398 174.600 -0.261 0.000 1.033 499 S CA 1.379 59.423 58.200 -0.260 0.000 1.011 499 S CB -0.277 62.746 63.200 -0.295 0.000 0.852 499 S HN 0.347 nan 8.310 nan 0.000 0.457 500 I N 1.269 121.612 120.570 -0.378 0.000 2.394 500 I HA -0.099 4.071 4.170 0.000 0.000 0.251 500 I C 2.223 178.257 176.117 -0.138 0.000 1.136 500 I CA 0.999 62.107 61.300 -0.320 0.000 1.425 500 I CB -0.491 37.206 38.000 -0.504 0.000 1.079 500 I HN 0.377 nan 8.210 nan 0.000 0.425 501 G N 0.724 109.403 108.800 -0.201 0.000 2.408 501 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 501 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 501 G C 1.488 176.334 174.900 -0.090 0.000 1.150 501 G CA 0.268 45.291 45.100 -0.129 0.000 0.776 501 G HN 0.391 nan 8.290 nan 0.000 0.542 502 L N 1.095 122.259 121.223 -0.097 0.000 2.650 502 L HA 0.163 4.503 4.340 0.000 0.000 0.235 502 L C 1.384 178.277 176.870 0.038 0.000 1.149 502 L CA 0.090 54.897 54.840 -0.054 0.000 0.887 502 L CB 0.430 42.444 42.059 -0.075 0.000 1.021 502 L HN 0.086 nan 8.230 nan 0.000 0.441 503 S N -0.780 114.946 115.700 0.043 0.000 2.749 503 S HA 0.340 4.810 4.470 0.000 0.000 0.246 503 S C 1.157 175.789 174.600 0.054 0.000 1.023 503 S CA 0.378 58.641 58.200 0.104 0.000 1.012 503 S CB 1.146 64.421 63.200 0.125 0.000 0.942 503 S HN 0.515 nan 8.310 nan 0.000 0.531 504 G N 1.296 110.083 108.800 -0.022 0.000 2.175 504 G HA2 -0.232 3.728 3.960 0.000 0.000 0.244 504 G HA3 -0.232 3.728 3.960 0.000 0.000 0.244 504 G C -0.161 174.518 174.900 -0.369 0.000 0.982 504 G CA -0.524 44.492 45.100 -0.140 0.000 0.641 504 G HN 0.451 nan 8.290 nan 0.000 0.527 505 F N 0.901 120.725 119.950 -0.210 0.000 2.404 505 F HA 0.568 5.095 4.527 0.000 0.000 0.354 505 F C 1.560 177.206 175.800 -0.257 0.000 1.122 505 F CA 0.201 58.054 58.000 -0.244 0.000 1.080 505 F CB 1.932 40.758 39.000 -0.290 0.000 1.131 505 F HN 0.002 nan 8.300 nan 0.000 0.471 506 G N 2.949 111.615 108.800 -0.223 0.000 2.603 506 G HA2 0.040 4.000 3.960 0.000 0.000 0.214 506 G HA3 0.040 4.000 3.960 0.000 0.000 0.214 506 G C -0.175 174.249 174.900 -0.794 0.000 1.140 506 G CA 0.348 45.112 45.100 -0.561 0.000 0.800 506 G HN 0.357 nan 8.290 nan 0.000 0.533 507 F N -1.485 118.525 119.950 0.100 0.000 2.547 507 F HA 0.632 5.159 4.527 0.000 0.000 0.316 507 F C -0.828 175.053 175.800 0.135 0.000 1.121 507 F CA -1.650 56.409 58.000 0.098 0.000 0.911 507 F CB 1.839 40.812 39.000 -0.045 0.000 1.179 507 F HN 0.051 nan 8.300 nan 0.000 0.443 508 W N 2.477 123.826 121.300 0.082 0.000 3.032 508 W HA 0.718 5.378 4.660 0.000 0.000 0.335 508 W C -1.244 175.279 176.519 0.008 0.000 1.154 508 W CA -0.736 56.599 57.345 -0.017 0.000 1.204 508 W CB 2.140 31.576 29.460 -0.040 0.000 1.416 508 W HN 0.520 nan 8.180 nan 0.000 0.521 509 S N 2.115 117.364 115.700 -0.751 0.000 2.651 509 S HA 0.790 5.260 4.470 0.000 0.000 0.279 509 S C -1.319 172.732 174.600 -0.914 0.000 1.148 509 S CA -0.491 57.322 58.200 -0.646 0.000 0.837 509 S CB 0.995 63.899 63.200 -0.494 0.000 1.138 509 S HN 0.745 nan 8.310 nan 0.000 0.478 510 H N -0.782 117.894 119.070 -0.657 0.000 2.960 510 H HA 0.575 5.131 4.556 0.000 0.000 0.323 510 H C -1.857 173.417 175.328 -0.091 0.000 1.326 510 H CA -1.157 54.688 56.048 -0.337 0.000 1.124 510 H CB 0.503 30.058 29.762 -0.344 0.000 1.853 510 H HN 0.320 nan 8.280 nan 0.000 0.536 511 D N 1.642 122.058 120.400 0.027 0.000 2.365 511 D HA 0.194 4.834 4.640 0.000 0.000 0.237 511 D C 0.230 176.247 176.300 -0.473 0.000 1.190 511 D CA -0.090 53.827 54.000 -0.139 0.000 0.867 511 D CB 0.681 41.516 40.800 0.058 0.000 1.050 511 D HN 0.359 nan 8.370 nan 0.000 0.491 512 I N 1.465 121.707 120.570 -0.548 0.000 2.668 512 I HA 0.083 4.253 4.170 0.000 0.000 0.285 512 I C 1.690 177.303 176.117 -0.840 0.000 1.168 512 I CA 0.507 61.358 61.300 -0.749 0.000 1.424 512 I CB 0.436 38.179 38.000 -0.429 0.000 1.377 512 I HN 0.653 nan 8.210 nan 0.000 0.560 513 G N 4.033 112.050 108.800 -1.306 0.000 2.241 513 G HA2 -0.069 3.891 3.960 0.000 0.000 0.244 513 G HA3 -0.069 3.891 3.960 0.000 0.000 0.244 513 G C 0.561 174.946 174.900 -0.857 0.000 0.998 513 G CA -0.079 44.597 45.100 -0.708 0.000 0.621 513 G HN 1.638 nan 8.290 nan 0.000 0.519 514 G N -1.587 106.446 108.800 -1.277 0.000 2.719 514 G HA2 0.218 4.178 3.960 0.000 0.000 0.686 514 G HA3 0.218 4.178 3.960 0.000 0.000 0.686 514 G C 0.146 174.917 174.900 -0.216 0.000 1.201 514 G CA 0.160 44.829 45.100 -0.719 0.000 0.768 514 G HN 1.470 nan 8.290 nan 0.000 0.629 515 F N 1.298 121.161 119.950 -0.145 0.000 2.044 515 F HA 0.279 4.806 4.527 0.000 0.000 0.287 515 F C 1.516 177.234 175.800 -0.138 0.000 1.155 515 F CA 1.392 59.338 58.000 -0.090 0.000 1.152 515 F CB 0.037 39.070 39.000 0.056 0.000 1.013 515 F HN 0.519 nan 8.300 nan 0.000 0.478 516 E N 2.467 122.490 120.200 -0.295 0.000 2.373 516 E HA 0.075 4.425 4.350 0.000 0.000 0.267 516 E C -0.400 175.927 176.600 -0.456 0.000 1.032 516 E CA 0.099 56.150 56.400 -0.581 0.000 0.889 516 E CB 0.243 29.426 29.700 -0.861 0.000 0.984 516 E HN 0.404 nan 8.360 nan 0.000 0.425 517 N N 0.270 118.751 118.700 -0.365 0.000 5.971 517 N HA -0.150 4.590 4.740 0.000 0.000 0.390 517 N C -0.964 174.454 175.510 -0.153 0.000 1.130 517 N CA 0.683 53.611 53.050 -0.203 0.000 2.259 517 N CB -0.588 37.830 38.487 -0.116 0.000 0.654 517 N HN 0.394 nan 8.380 nan 0.000 0.614 518 T N 0.755 115.254 114.554 -0.093 0.000 2.758 518 T HA 0.658 5.008 4.350 0.000 0.000 0.285 518 T C 0.330 175.044 174.700 0.023 0.000 0.981 518 T CA -0.192 61.873 62.100 -0.058 0.000 0.965 518 T CB 1.161 69.957 68.868 -0.120 0.000 0.927 518 T HN 0.655 nan 8.240 nan 0.000 0.448 519 A N 5.773 128.662 122.820 0.114 0.000 2.425 519 A HA 0.584 4.904 4.320 0.000 0.000 0.249 519 A C -2.212 175.444 177.584 0.121 0.000 1.084 519 A CA -1.261 50.837 52.037 0.102 0.000 0.781 519 A CB -0.233 18.817 19.000 0.083 0.000 1.019 519 A HN 0.482 nan 8.150 nan 0.000 0.490 520 P HA 0.161 nan 4.420 nan 0.000 0.270 520 P C 1.025 178.286 177.300 -0.065 0.000 1.227 520 P CA 0.609 63.656 63.100 -0.088 0.000 0.788 520 P CB 0.580 32.112 31.700 -0.281 0.000 0.926 521 A N 1.824 124.658 122.820 0.023 0.000 1.892 521 A HA -0.280 4.040 4.320 0.000 0.000 0.218 521 A C 1.959 179.512 177.584 -0.052 0.000 1.188 521 A CA 2.570 54.640 52.037 0.055 0.000 0.631 521 A CB -2.102 16.933 19.000 0.058 0.000 0.822 521 A HN 0.847 nan 8.150 nan 0.000 0.447 522 H N -1.620 117.463 119.070 0.022 0.000 2.387 522 H HA 0.004 4.560 4.556 0.000 0.000 0.299 522 H C 1.589 177.084 175.328 0.278 0.000 1.090 522 H CA 1.405 57.500 56.048 0.079 0.000 1.332 522 H CB -0.916 29.096 29.762 0.416 0.000 1.386 522 H HN 0.125 nan 8.280 nan 0.000 0.516 523 V N 0.643 120.460 119.914 -0.162 0.000 2.295 523 V HA -0.287 3.833 4.120 0.000 0.000 0.246 523 V C 2.330 178.518 176.094 0.157 0.000 1.049 523 V CA 2.071 64.342 62.300 -0.049 0.000 1.024 523 V CB -0.921 30.721 31.823 -0.302 0.000 0.648 523 V HN 0.468 nan 8.190 nan 0.000 0.447 524 Y N 1.282 121.508 120.300 -0.123 0.000 2.114 524 Y HA -0.320 4.230 4.550 0.000 0.000 0.282 524 Y C 2.478 178.328 175.900 -0.084 0.000 1.165 524 Y CA 2.198 60.135 58.100 -0.272 0.000 1.148 524 Y CB -0.219 37.738 38.460 -0.839 0.000 0.972 524 Y HN 0.158 nan 8.280 nan 0.000 0.504 525 K N -0.265 120.140 120.400 0.008 0.000 2.002 525 K HA -0.168 4.152 4.320 0.000 0.000 0.209 525 K C 2.125 178.837 176.600 0.187 0.000 1.048 525 K CA 1.599 57.920 56.287 0.057 0.000 0.930 525 K CB -0.165 32.342 32.500 0.011 0.000 0.714 525 K HN 0.068 nan 8.250 nan 0.000 0.438 526 R N 0.170 120.884 120.500 0.357 0.000 2.096 526 R HA -0.177 4.163 4.340 0.000 0.000 0.240 526 R C 1.992 178.425 176.300 0.222 0.000 1.139 526 R CA 1.232 57.523 56.100 0.318 0.000 0.952 526 R CB -1.035 29.535 30.300 0.449 0.000 0.854 526 R HN 0.471 nan 8.270 nan 0.000 0.436 527 W N 0.862 122.205 121.300 0.073 0.000 2.421 527 W HA -0.166 4.494 4.660 0.000 0.000 0.270 527 W C 1.936 178.400 176.519 -0.092 0.000 1.233 527 W CA 0.217 57.604 57.345 0.069 0.000 1.226 527 W CB -0.418 29.043 29.460 0.002 0.000 1.121 527 W HN 0.080 nan 8.180 nan 0.000 0.579 528 C N -0.040 119.275 119.300 0.025 0.000 2.453 528 C HA -0.105 4.355 4.460 0.000 0.000 0.277 528 C C 3.119 178.019 174.990 -0.149 0.000 1.262 528 C CA 1.808 60.753 59.018 -0.122 0.000 1.718 528 C CB -1.462 26.171 27.740 -0.179 0.000 2.031 528 C HN 0.352 nan 8.230 nan 0.000 0.480 529 A N 0.292 122.903 122.820 -0.348 0.000 1.865 529 A HA -0.224 4.096 4.320 0.000 0.000 0.217 529 A C 1.987 179.441 177.584 -0.216 0.000 1.191 529 A CA 1.970 53.471 52.037 -0.894 0.000 0.623 529 A CB -0.975 17.514 19.000 -0.851 0.000 0.826 529 A HN 0.526 nan 8.150 nan 0.000 0.444 530 F N 1.438 121.305 119.950 -0.138 0.000 2.069 530 F HA -0.104 4.423 4.527 0.000 0.000 0.298 530 F C 2.320 178.264 175.800 0.241 0.000 1.113 530 F CA 1.485 59.529 58.000 0.074 0.000 1.214 530 F CB -1.191 37.830 39.000 0.035 0.000 0.978 530 F HN 0.182 nan 8.300 nan 0.000 0.474 531 G N 1.025 109.869 108.800 0.074 0.000 2.440 531 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 531 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 531 G C 1.651 176.565 174.900 0.023 0.000 1.154 531 G CA 0.877 45.908 45.100 -0.114 0.000 0.767 531 G HN 0.386 nan 8.290 nan 0.000 0.552 532 L N -0.078 121.185 121.223 0.068 0.000 2.395 532 L HA 0.187 4.527 4.340 0.000 0.000 0.218 532 L C 1.610 178.613 176.870 0.221 0.000 1.130 532 L CA 0.598 55.529 54.840 0.150 0.000 0.826 532 L CB -0.454 41.729 42.059 0.207 0.000 0.941 532 L HN 0.156 nan 8.230 nan 0.000 0.451 533 L N -0.734 120.639 121.223 0.250 0.000 2.783 533 L HA 0.211 4.551 4.340 0.000 0.000 0.236 533 L C 0.564 177.705 176.870 0.451 0.000 1.225 533 L CA 0.357 55.406 54.840 0.348 0.000 1.026 533 L CB -0.720 41.544 42.059 0.341 0.000 1.314 533 L HN 0.023 nan 8.230 nan 0.000 0.489 534 S N -1.670 114.244 115.700 0.355 0.000 2.648 534 S HA 0.299 4.769 4.470 0.000 0.000 0.305 534 S C 1.238 176.033 174.600 0.325 0.000 1.094 534 S CA 0.002 58.413 58.200 0.351 0.000 0.983 534 S CB 2.024 65.398 63.200 0.290 0.000 1.101 534 S HN 0.381 nan 8.310 nan 0.000 0.514 535 S N 0.777 116.703 115.700 0.376 0.000 2.387 535 S HA -0.152 4.318 4.470 0.000 0.000 0.230 535 S C 0.153 174.896 174.600 0.238 0.000 1.035 535 S CA 1.357 59.843 58.200 0.477 0.000 1.014 535 S CB -0.429 63.180 63.200 0.680 0.000 0.836 535 S HN 0.762 nan 8.310 nan 0.000 0.466 536 H N -0.012 119.086 119.070 0.046 0.000 2.759 536 H HA 0.659 5.215 4.556 0.000 0.000 0.354 536 H C -1.177 174.086 175.328 -0.107 0.000 1.074 536 H CA -0.540 55.438 56.048 -0.116 0.000 1.226 536 H CB 2.087 31.650 29.762 -0.332 0.000 1.648 536 H HN 0.138 nan 8.280 nan 0.000 0.529 537 S N 3.153 118.856 115.700 0.005 0.000 2.478 537 S HA 0.614 5.084 4.470 0.000 0.000 0.312 537 S C -0.393 174.195 174.600 -0.020 0.000 1.094 537 S CA -0.929 57.257 58.200 -0.023 0.000 1.081 537 S CB 1.576 64.812 63.200 0.059 0.000 1.007 537 S HN 0.556 nan 8.310 nan 0.000 0.475 538 R N 2.506 122.934 120.500 -0.119 0.000 2.651 538 R HA 0.509 4.849 4.340 0.000 0.000 0.278 538 R C -1.850 174.373 176.300 -0.128 0.000 1.010 538 R CA -0.707 55.338 56.100 -0.090 0.000 0.896 538 R CB 0.996 31.132 30.300 -0.272 0.000 1.211 538 R HN 0.625 nan 8.270 nan 0.000 0.456 539 L N 4.427 125.610 121.223 -0.068 0.000 2.264 539 L HA 0.415 4.755 4.340 0.000 0.000 0.287 539 L C -0.672 176.182 176.870 -0.027 0.000 1.039 539 L CA -0.547 54.247 54.840 -0.077 0.000 0.829 539 L CB 0.916 42.942 42.059 -0.055 0.000 1.211 539 L HN 0.605 nan 8.230 nan 0.000 0.427 540 H N 2.173 121.156 119.070 -0.144 0.000 2.930 540 H HA 0.794 5.350 4.556 0.000 0.000 0.371 540 H C -0.636 174.694 175.328 0.005 0.000 1.169 540 H CA -0.399 55.603 56.048 -0.076 0.000 1.157 540 H CB 2.199 31.889 29.762 -0.119 0.000 1.789 540 H HN 0.540 nan 8.280 nan 0.000 0.547 541 G N 1.007 109.465 108.800 -0.570 0.000 2.694 541 G HA2 0.368 4.328 3.960 0.000 0.000 0.290 541 G HA3 0.368 4.328 3.960 0.000 0.000 0.290 541 G C -0.282 174.252 174.900 -0.610 0.000 1.386 541 G CA -0.027 44.800 45.100 -0.454 0.000 0.872 541 G HN 0.622 nan 8.290 nan 0.000 0.475 542 S N -0.821 114.397 115.700 -0.803 0.000 2.370 542 S HA 0.098 4.568 4.470 0.000 0.000 0.214 542 S C 1.606 176.059 174.600 -0.245 0.000 1.033 542 S CA 0.945 58.695 58.200 -0.751 0.000 0.941 542 S CB -0.145 62.220 63.200 -1.391 0.000 0.886 542 S HN 0.454 nan 8.310 nan 0.000 0.521 543 K N 1.111 121.325 120.400 -0.311 0.000 2.387 543 K HA 0.281 4.601 4.320 0.000 0.000 0.203 543 K C -0.229 176.186 176.600 -0.309 0.000 1.030 543 K CA -0.076 56.069 56.287 -0.237 0.000 1.099 543 K CB 1.009 33.397 32.500 -0.187 0.000 0.863 543 K HN 0.404 nan 8.250 nan 0.000 0.529 544 S N -0.854 114.619 115.700 -0.377 0.000 2.625 544 S HA 0.430 4.900 4.470 0.000 0.000 0.271 544 S C -1.014 173.293 174.600 -0.488 0.000 1.161 544 S CA -1.050 56.873 58.200 -0.463 0.000 0.820 544 S CB 0.556 63.567 63.200 -0.314 0.000 1.137 544 S HN 0.020 nan 8.310 nan 0.000 0.470 545 Y N 0.697 120.916 120.300 -0.134 0.000 2.301 545 Y HA 0.531 5.081 4.550 0.000 0.000 0.328 545 Y C 1.631 177.383 175.900 -0.246 0.000 1.242 545 Y CA -0.908 57.080 58.100 -0.187 0.000 1.323 545 Y CB 0.622 38.984 38.460 -0.164 0.000 1.266 545 Y HN 0.513 nan 8.280 nan 0.000 0.527 546 R N 1.393 121.832 120.500 -0.103 0.000 2.609 546 R HA 0.191 4.531 4.340 0.000 0.000 0.326 546 R C -0.931 175.273 176.300 -0.160 0.000 1.090 546 R CA -0.210 55.869 56.100 -0.035 0.000 1.072 546 R CB -0.585 29.703 30.300 -0.019 0.000 1.330 546 R HN 0.512 nan 8.270 nan 0.000 0.572 547 V N -1.112 118.510 119.914 -0.486 0.000 2.614 547 V HA 0.193 4.313 4.120 0.000 0.000 0.291 547 V C -1.549 174.136 176.094 -0.680 0.000 1.049 547 V CA -1.587 60.167 62.300 -0.910 0.000 1.038 547 V CB 1.029 31.749 31.823 -1.838 0.000 0.980 547 V HN -0.059 nan 8.190 nan 0.000 0.481 548 P HA -0.170 nan 4.420 nan 0.000 0.217 548 P C 1.294 178.606 177.300 0.019 0.000 1.162 548 P CA 2.424 65.522 63.100 -0.004 0.000 0.901 548 P CB -0.164 31.668 31.700 0.220 0.000 0.793 549 W N -0.806 120.530 121.300 0.060 0.000 2.747 549 W HA 0.221 4.881 4.660 0.000 0.000 0.244 549 W C 1.629 178.135 176.519 -0.021 0.000 1.270 549 W CA 0.519 57.884 57.345 0.032 0.000 1.333 549 W CB -1.687 27.794 29.460 0.034 0.000 1.139 549 W HN -0.125 nan 8.180 nan 0.000 0.662 550 A N -0.583 122.059 122.820 -0.296 0.000 2.169 550 A HA 0.060 4.381 4.320 0.000 0.000 0.212 550 A C 1.229 178.475 177.584 -0.563 0.000 1.153 550 A CA 0.850 52.647 52.037 -0.400 0.000 0.756 550 A CB -0.583 18.070 19.000 -0.578 0.000 0.813 550 A HN 0.478 nan 8.150 nan 0.000 0.471 551 Y N -0.143 119.984 120.300 -0.289 0.000 2.576 551 Y HA 0.310 4.861 4.550 0.000 0.000 0.282 551 Y C 0.512 176.352 175.900 -0.100 0.000 1.139 551 Y CA 0.134 58.084 58.100 -0.250 0.000 1.265 551 Y CB 0.404 38.599 38.460 -0.442 0.000 1.376 551 Y HN 0.521 nan 8.280 nan 0.000 0.511 552 D N -3.133 117.340 120.400 0.121 0.000 2.809 552 D HA 0.062 4.702 4.640 0.000 0.000 0.336 552 D C -0.422 175.963 176.300 0.141 0.000 1.367 552 D CA -0.391 53.674 54.000 0.109 0.000 0.815 552 D CB 0.142 40.992 40.800 0.083 0.000 1.381 552 D HN -0.156 nan 8.370 nan 0.000 0.471 553 D N -0.335 120.139 120.400 0.124 0.000 2.137 553 D HA -0.096 4.544 4.640 0.000 0.000 0.202 553 D C 1.423 177.804 176.300 0.135 0.000 0.970 553 D CA 0.989 55.069 54.000 0.133 0.000 0.837 553 D CB 0.089 40.950 40.800 0.103 0.000 0.981 553 D HN 0.653 nan 8.370 nan 0.000 0.475 554 E N 1.048 121.317 120.200 0.114 0.000 2.130 554 E HA -0.165 4.185 4.350 0.000 0.000 0.196 554 E C 1.864 178.547 176.600 0.138 0.000 0.998 554 E CA 1.064 57.533 56.400 0.115 0.000 0.806 554 E CB 0.174 29.928 29.700 0.089 0.000 0.738 554 E HN -0.023 nan 8.360 nan 0.000 0.459 555 S N -0.226 115.563 115.700 0.148 0.000 2.383 555 S HA -0.203 4.267 4.470 0.000 0.000 0.229 555 S C 2.034 176.787 174.600 0.255 0.000 1.030 555 S CA 1.132 59.466 58.200 0.224 0.000 1.002 555 S CB -0.360 62.991 63.200 0.253 0.000 0.829 555 S HN 0.473 nan 8.310 nan 0.000 0.467 556 C N 1.743 121.183 119.300 0.233 0.000 2.440 556 C HA -0.038 4.422 4.460 0.000 0.000 0.278 556 C C 2.423 177.533 174.990 0.200 0.000 1.295 556 C CA 0.268 59.430 59.018 0.240 0.000 1.738 556 C CB -1.153 26.730 27.740 0.238 0.000 1.987 556 C HN 0.560 nan 8.230 nan 0.000 0.492 557 D N 0.591 121.095 120.400 0.173 0.000 2.117 557 D HA -0.096 4.544 4.640 0.000 0.000 0.198 557 D C 2.186 178.590 176.300 0.173 0.000 0.982 557 D CA 1.085 55.175 54.000 0.151 0.000 0.828 557 D CB -0.417 40.457 40.800 0.124 0.000 0.967 557 D HN 0.288 nan 8.370 nan 0.000 0.464 558 V N 0.974 121.008 119.914 0.200 0.000 2.261 558 V HA -0.207 3.913 4.120 0.000 0.000 0.246 558 V C 2.737 179.054 176.094 0.371 0.000 1.047 558 V CA 1.097 63.564 62.300 0.279 0.000 1.015 558 V CB -0.546 31.466 31.823 0.314 0.000 0.642 558 V HN 0.040 nan 8.190 nan 0.000 0.446 559 V N -0.101 119.989 119.914 0.292 0.000 2.392 559 V HA -0.290 3.830 4.120 0.000 0.000 0.249 559 V C 2.529 178.774 176.094 0.253 0.000 1.059 559 V CA 2.469 64.929 62.300 0.268 0.000 1.051 559 V CB -0.806 31.149 31.823 0.221 0.000 0.658 559 V HN 0.478 nan 8.190 nan 0.000 0.455 560 R N -1.023 119.604 120.500 0.211 0.000 2.075 560 R HA -0.109 4.231 4.340 0.000 0.000 0.226 560 R C 2.250 178.611 176.300 0.101 0.000 1.114 560 R CA 1.414 57.604 56.100 0.150 0.000 0.972 560 R CB -0.325 30.048 30.300 0.122 0.000 0.869 560 R HN 0.459 nan 8.270 nan 0.000 0.437 561 F N 0.484 120.379 119.950 -0.091 0.000 2.046 561 F HA -0.225 4.302 4.527 0.000 0.000 0.297 561 F C 1.477 177.068 175.800 -0.348 0.000 1.123 561 F CA 1.749 59.558 58.000 -0.318 0.000 1.199 561 F CB -0.391 38.274 39.000 -0.558 0.000 0.972 561 F HN -0.046 nan 8.300 nan 0.000 0.474 562 F N 0.054 120.191 119.950 0.312 0.000 2.259 562 F HA -0.085 4.442 4.527 0.000 0.000 0.298 562 F C 2.531 178.392 175.800 0.102 0.000 1.088 562 F CA 1.521 59.641 58.000 0.199 0.000 1.358 562 F CB -1.454 37.702 39.000 0.260 0.000 1.040 562 F HN -0.109 nan 8.300 nan 0.000 0.505 563 T N -0.620 114.094 114.554 0.267 0.000 2.777 563 T HA -0.190 4.160 4.350 0.000 0.000 0.266 563 T C 1.933 176.717 174.700 0.139 0.000 1.040 563 T CA 1.350 63.580 62.100 0.216 0.000 1.141 563 T CB -0.245 68.755 68.868 0.220 0.000 0.868 563 T HN 0.303 nan 8.240 nan 0.000 0.444 564 Q N 0.159 119.984 119.800 0.043 0.000 2.079 564 Q HA -0.032 4.308 4.340 0.000 0.000 0.200 564 Q C 2.355 178.320 176.000 -0.058 0.000 0.974 564 Q CA 1.002 56.789 55.803 -0.027 0.000 0.840 564 Q CB -0.353 28.312 28.738 -0.121 0.000 0.898 564 Q HN 0.325 nan 8.270 nan 0.000 0.430 565 L N 1.526 122.660 121.223 -0.148 0.000 1.990 565 L HA -0.256 4.084 4.340 0.000 0.000 0.213 565 L C 2.196 179.103 176.870 0.061 0.000 1.072 565 L CA 2.050 56.813 54.840 -0.128 0.000 0.755 565 L CB -0.537 41.403 42.059 -0.198 0.000 0.889 565 L HN 0.042 nan 8.230 nan 0.000 0.432 566 K N -1.103 119.380 120.400 0.139 0.000 2.032 566 K HA -0.213 4.107 4.320 0.000 0.000 0.209 566 K C 2.136 178.837 176.600 0.168 0.000 1.048 566 K CA 2.100 58.497 56.287 0.182 0.000 0.927 566 K CB -0.482 32.144 32.500 0.210 0.000 0.712 566 K HN 0.581 nan 8.250 nan 0.000 0.441 567 C N 0.778 120.173 119.300 0.158 0.000 2.403 567 C HA -0.065 4.395 4.460 0.000 0.000 0.279 567 C C 2.584 177.743 174.990 0.282 0.000 1.269 567 C CA 0.720 59.864 59.018 0.211 0.000 1.774 567 C CB -0.978 26.855 27.740 0.156 0.000 1.993 567 C HN 0.490 nan 8.230 nan 0.000 0.496 568 R N 0.059 120.666 120.500 0.178 0.000 2.115 568 R HA 0.042 4.382 4.340 0.000 0.000 0.226 568 R C 1.937 178.351 176.300 0.190 0.000 1.100 568 R CA 1.043 57.256 56.100 0.188 0.000 0.980 568 R CB -0.252 30.096 30.300 0.080 0.000 0.875 568 R HN 0.568 nan 8.270 nan 0.000 0.445 569 M N 0.055 119.751 119.600 0.160 0.000 2.659 569 M HA 0.004 4.484 4.480 0.000 0.000 0.243 569 M C 1.597 177.953 176.300 0.093 0.000 1.111 569 M CA 0.472 55.869 55.300 0.161 0.000 1.070 569 M CB 0.103 32.829 32.600 0.209 0.000 1.525 569 M HN 0.020 nan 8.290 nan 0.000 0.517 570 M N 0.226 119.842 119.600 0.025 0.000 2.144 570 M HA -0.117 4.363 4.480 0.000 0.000 0.260 570 M C -0.690 175.207 176.300 -0.671 0.000 1.067 570 M CA 1.848 56.997 55.300 -0.252 0.000 1.095 570 M CB -2.202 30.339 32.600 -0.099 0.000 1.365 570 M HN 0.012 nan 8.290 nan 0.000 0.406 571 P HA -0.176 nan 4.420 nan 0.000 0.216 571 P C 1.485 178.636 177.300 -0.248 0.000 1.150 571 P CA 1.218 63.994 63.100 -0.541 0.000 0.837 571 P CB -0.250 31.363 31.700 -0.146 0.000 0.786 572 Y N -0.018 120.158 120.300 -0.206 0.000 2.138 572 Y HA -0.078 4.472 4.550 0.000 0.000 0.286 572 Y C 1.998 177.809 175.900 -0.149 0.000 1.115 572 Y CA 1.093 59.126 58.100 -0.111 0.000 1.105 572 Y CB -1.228 37.213 38.460 -0.031 0.000 1.004 572 Y HN -0.308 nan 8.280 nan 0.000 0.494 573 L N -0.023 121.030 121.223 -0.282 0.000 2.034 573 L HA -0.302 4.038 4.340 0.000 0.000 0.217 573 L C 2.342 178.957 176.870 -0.425 0.000 1.077 573 L CA 2.056 56.679 54.840 -0.361 0.000 0.769 573 L CB -1.802 40.174 42.059 -0.138 0.000 0.890 573 L HN 0.442 nan 8.230 nan 0.000 0.435 574 Y N -0.373 119.524 120.300 -0.672 0.000 2.421 574 Y HA -0.211 4.339 4.550 0.000 0.000 0.292 574 Y C 2.696 178.322 175.900 -0.456 0.000 1.136 574 Y CA 1.291 58.961 58.100 -0.718 0.000 1.255 574 Y CB -0.122 37.732 38.460 -1.011 0.000 0.991 574 Y HN 0.111 nan 8.280 nan 0.000 0.552 575 R N 0.657 120.931 120.500 -0.378 0.000 2.062 575 R HA -0.086 4.254 4.340 0.000 0.000 0.229 575 R C 1.904 178.025 176.300 -0.297 0.000 1.128 575 R CA 1.802 57.729 56.100 -0.287 0.000 0.960 575 R CB -0.405 29.785 30.300 -0.183 0.000 0.855 575 R HN 0.143 nan 8.270 nan 0.000 0.432 576 E N 0.423 120.400 120.200 -0.372 0.000 2.153 576 E HA -0.116 4.234 4.350 0.000 0.000 0.194 576 E C 1.829 178.310 176.600 -0.198 0.000 0.988 576 E CA 1.322 57.538 56.400 -0.306 0.000 0.811 576 E CB -0.374 29.076 29.700 -0.416 0.000 0.746 576 E HN 0.465 nan 8.360 nan 0.000 0.466 577 A N 1.454 124.162 122.820 -0.186 0.000 1.969 577 A HA -0.037 4.283 4.320 0.000 0.000 0.218 577 A C 2.423 179.990 177.584 -0.028 0.000 1.169 577 A CA 1.740 53.815 52.037 0.064 0.000 0.635 577 A CB -0.458 18.539 19.000 -0.005 0.000 0.810 577 A HN 0.260 nan 8.150 nan 0.000 0.445 578 A N 0.030 122.707 122.820 -0.238 0.000 1.933 578 A HA -0.181 4.139 4.320 0.000 0.000 0.218 578 A C 2.225 179.742 177.584 -0.113 0.000 1.175 578 A CA 1.517 53.442 52.037 -0.188 0.000 0.628 578 A CB -0.467 18.407 19.000 -0.209 0.000 0.814 578 A HN 0.561 nan 8.150 nan 0.000 0.444 579 R N -0.561 119.862 120.500 -0.129 0.000 2.096 579 R HA -0.090 4.250 4.340 0.000 0.000 0.235 579 R C 2.430 178.653 176.300 -0.130 0.000 1.127 579 R CA 1.137 57.165 56.100 -0.121 0.000 0.968 579 R CB -0.484 29.739 30.300 -0.129 0.000 0.861 579 R HN 0.517 nan 8.270 nan 0.000 0.440 580 A N 1.526 124.252 122.820 -0.157 0.000 1.978 580 A HA -0.205 4.115 4.320 0.000 0.000 0.220 580 A C 1.960 179.457 177.584 -0.144 0.000 1.170 580 A CA 1.571 53.469 52.037 -0.232 0.000 0.636 580 A CB -0.578 18.114 19.000 -0.514 0.000 0.810 580 A HN 0.355 nan 8.150 nan 0.000 0.448 581 N N -0.125 118.546 118.700 -0.049 0.000 2.376 581 N HA 0.026 4.766 4.740 0.000 0.000 0.177 581 N C 1.736 177.206 175.510 -0.067 0.000 1.024 581 N CA 1.187 54.221 53.050 -0.027 0.000 0.893 581 N CB -0.086 38.420 38.487 0.032 0.000 0.980 581 N HN 0.349 nan 8.380 nan 0.000 0.439 582 A N 1.004 123.779 122.820 -0.075 0.000 1.871 582 A HA 0.140 4.460 4.320 0.000 0.000 0.211 582 A C 2.073 179.603 177.584 -0.091 0.000 1.207 582 A CA 0.610 52.601 52.037 -0.076 0.000 0.620 582 A CB -0.031 18.927 19.000 -0.070 0.000 0.860 582 A HN 0.243 nan 8.150 nan 0.000 0.450 583 R N -1.805 118.633 120.500 -0.103 0.000 2.437 583 R HA 0.266 4.606 4.340 0.000 0.000 0.257 583 R C 0.872 177.097 176.300 -0.125 0.000 0.927 583 R CA 0.513 56.549 56.100 -0.106 0.000 1.078 583 R CB 0.553 30.795 30.300 -0.096 0.000 1.161 583 R HN 0.676 nan 8.270 nan 0.000 0.529 584 G N 1.786 110.496 108.800 -0.151 0.000 2.147 584 G HA2 -0.254 3.706 3.960 0.000 0.000 0.244 584 G HA3 -0.254 3.706 3.960 0.000 0.000 0.244 584 G C 0.003 174.799 174.900 -0.173 0.000 1.005 584 G CA 0.399 45.391 45.100 -0.180 0.000 0.713 584 G HN 0.249 nan 8.290 nan 0.000 0.515 585 T N 3.295 117.749 114.554 -0.167 0.000 2.729 585 T HA 0.514 4.864 4.350 0.000 0.000 0.296 585 T C -1.626 172.954 174.700 -0.200 0.000 0.928 585 T CA -0.694 61.313 62.100 -0.156 0.000 1.045 585 T CB 2.146 70.934 68.868 -0.134 0.000 0.902 585 T HN 0.294 nan 8.240 nan 0.000 0.500 586 P HA 0.130 nan 4.420 nan 0.000 0.269 586 P C 0.711 177.909 177.300 -0.169 0.000 1.209 586 P CA -0.272 62.692 63.100 -0.227 0.000 0.776 586 P CB 0.856 32.457 31.700 -0.165 0.000 0.876 587 M N 1.019 120.513 119.600 -0.175 0.000 2.229 587 M HA -0.031 4.449 4.480 0.000 0.000 0.264 587 M C 1.427 177.763 176.300 0.060 0.000 1.063 587 M CA 1.667 56.947 55.300 -0.034 0.000 1.114 587 M CB -0.085 32.566 32.600 0.086 0.000 1.387 587 M HN 0.391 nan 8.290 nan 0.000 0.420 588 M N 1.156 120.781 119.600 0.041 0.000 2.061 588 M HA 0.291 4.771 4.480 0.000 0.000 0.346 588 M C -1.059 175.236 176.300 -0.008 0.000 1.112 588 M CA -0.105 55.223 55.300 0.046 0.000 1.021 588 M CB 0.596 33.155 32.600 -0.068 0.000 1.530 588 M HN -0.010 nan 8.290 nan 0.000 0.437 589 R N 3.643 124.192 120.500 0.081 0.000 2.534 589 R HA 0.693 5.033 4.340 0.000 0.000 0.301 589 R C -0.473 175.868 176.300 0.068 0.000 0.961 589 R CA -0.763 55.354 56.100 0.028 0.000 0.871 589 R CB 1.698 32.008 30.300 0.017 0.000 1.170 589 R HN 0.787 nan 8.270 nan 0.000 0.446 590 A N 3.448 126.261 122.820 -0.012 0.000 2.483 590 A HA 0.071 4.391 4.320 0.000 0.000 0.238 590 A C 1.318 178.923 177.584 0.035 0.000 1.070 590 A CA -0.246 51.792 52.037 0.001 0.000 0.770 590 A CB 0.197 19.146 19.000 -0.084 0.000 1.008 590 A HN 0.789 nan 8.150 nan 0.000 0.497 591 M N 1.716 121.364 119.600 0.080 0.000 2.106 591 M HA -0.230 4.250 4.480 0.000 0.000 0.259 591 M C 2.045 178.422 176.300 0.129 0.000 1.068 591 M CA 2.418 57.812 55.300 0.156 0.000 1.100 591 M CB -1.540 31.120 32.600 0.100 0.000 1.351 591 M HN 1.007 nan 8.290 nan 0.000 0.404 592 M N -0.921 118.666 119.600 -0.022 0.000 2.267 592 M HA -0.138 4.342 4.480 0.000 0.000 0.263 592 M C 2.018 178.234 176.300 -0.140 0.000 1.063 592 M CA 1.804 57.038 55.300 -0.111 0.000 1.090 592 M CB -1.025 31.390 32.600 -0.308 0.000 1.392 592 M HN 0.275 nan 8.290 nan 0.000 0.422 593 M N -0.508 119.002 119.600 -0.150 0.000 2.236 593 M HA -0.072 4.408 4.480 0.000 0.000 0.266 593 M C 1.841 178.062 176.300 -0.131 0.000 1.070 593 M CA 1.790 56.997 55.300 -0.156 0.000 1.137 593 M CB 0.017 32.525 32.600 -0.154 0.000 1.378 593 M HN 0.444 nan 8.290 nan 0.000 0.426 594 E N -0.003 120.136 120.200 -0.103 0.000 2.190 594 E HA 0.005 4.355 4.350 0.000 0.000 0.191 594 E C -0.399 175.846 176.600 -0.592 0.000 0.978 594 E CA 0.926 57.138 56.400 -0.314 0.000 0.839 594 E CB 0.239 29.776 29.700 -0.273 0.000 0.787 594 E HN 0.489 nan 8.360 nan 0.000 0.473 595 F N 0.878 120.828 119.950 -0.000 0.000 2.523 595 F HA 0.332 4.859 4.527 0.000 0.000 0.322 595 F C -1.777 174.012 175.800 -0.018 0.000 1.361 595 F CA -1.949 56.060 58.000 0.016 0.000 1.151 595 F CB 1.597 40.639 39.000 0.069 0.000 1.391 595 F HN -0.020 nan 8.300 nan 0.000 0.566 596 P HA -0.152 nan 4.420 nan 0.000 0.221 596 P C 0.420 177.735 177.300 0.024 0.000 1.145 596 P CA 1.462 64.560 63.100 -0.003 0.000 0.795 596 P CB 0.451 32.121 31.700 -0.049 0.000 0.775 597 D N -0.805 119.631 120.400 0.059 0.000 2.339 597 D HA 0.004 4.644 4.640 0.000 0.000 0.217 597 D C 0.339 176.681 176.300 0.069 0.000 1.050 597 D CA 0.457 54.490 54.000 0.055 0.000 0.856 597 D CB -0.139 40.693 40.800 0.054 0.000 0.922 597 D HN 0.171 nan 8.370 nan 0.000 0.518 598 D N 1.717 122.174 120.400 0.095 0.000 2.380 598 D HA 0.065 4.705 4.640 0.000 0.000 0.230 598 D C -1.380 174.923 176.300 0.005 0.000 1.154 598 D CA -1.963 52.080 54.000 0.071 0.000 0.859 598 D CB 1.942 42.811 40.800 0.115 0.000 1.045 598 D HN -0.042 nan 8.370 nan 0.000 0.495 599 P HA -0.101 nan 4.420 nan 0.000 0.226 599 P C 0.745 178.013 177.300 -0.053 0.000 1.146 599 P CA 0.451 63.543 63.100 -0.014 0.000 0.773 599 P CB 0.345 32.048 31.700 0.005 0.000 0.772 600 A N -1.107 121.612 122.820 -0.168 0.000 2.178 600 A HA 0.059 4.379 4.320 0.000 0.000 0.211 600 A C 1.933 179.296 177.584 -0.367 0.000 1.157 600 A CA 0.417 52.241 52.037 -0.354 0.000 0.780 600 A CB -0.993 17.498 19.000 -0.848 0.000 0.828 600 A HN 0.258 nan 8.150 nan 0.000 0.476 601 C N 0.128 119.300 119.300 -0.214 0.000 2.754 601 C HA 0.128 4.588 4.460 0.000 0.000 0.276 601 C C 1.528 176.496 174.990 -0.037 0.000 1.264 601 C CA -0.382 58.571 59.018 -0.108 0.000 1.700 601 C CB -0.946 26.784 27.740 -0.018 0.000 1.885 601 C HN 0.536 nan 8.230 nan 0.000 0.607 602 D N 0.888 121.265 120.400 -0.039 0.000 2.117 602 D HA -0.107 4.533 4.640 0.000 0.000 0.197 602 D C 1.136 177.317 176.300 -0.199 0.000 0.987 602 D CA 1.694 55.618 54.000 -0.127 0.000 0.829 602 D CB -0.058 40.583 40.800 -0.265 0.000 0.961 602 D HN 0.572 nan 8.370 nan 0.000 0.460 603 Y N 0.119 120.459 120.300 0.066 0.000 2.467 603 Y HA 0.264 4.814 4.550 0.000 0.000 0.250 603 Y C 0.657 176.598 175.900 0.068 0.000 1.155 603 Y CA -0.364 57.771 58.100 0.058 0.000 1.249 603 Y CB 0.208 38.679 38.460 0.019 0.000 1.146 603 Y HN -0.226 nan 8.280 nan 0.000 0.524 604 L N 2.993 124.325 121.223 0.183 0.000 2.615 604 L HA -0.046 4.294 4.340 0.000 0.000 0.271 604 L C 0.307 177.245 176.870 0.114 0.000 1.183 604 L CA 0.527 55.452 54.840 0.142 0.000 0.933 604 L CB 0.284 42.376 42.059 0.054 0.000 1.199 604 L HN 0.350 nan 8.230 nan 0.000 0.487 605 D N 1.200 121.664 120.400 0.107 0.000 2.525 605 D HA 0.002 4.642 4.640 0.000 0.000 0.231 605 D C 1.187 177.516 176.300 0.048 0.000 1.216 605 D CA -0.143 53.895 54.000 0.063 0.000 0.813 605 D CB 0.267 41.089 40.800 0.036 0.000 1.108 605 D HN 0.376 nan 8.370 nan 0.000 0.524 606 R N 0.415 120.962 120.500 0.078 0.000 2.427 606 R HA 0.233 4.573 4.340 0.000 0.000 0.262 606 R C 0.375 176.795 176.300 0.201 0.000 0.943 606 R CA 0.079 56.247 56.100 0.113 0.000 1.081 606 R CB 0.437 30.776 30.300 0.065 0.000 1.166 606 R HN 0.431 nan 8.270 nan 0.000 0.534 607 Q N -0.325 119.565 119.800 0.150 0.000 2.626 607 Q HA 0.456 4.796 4.340 0.000 0.000 0.300 607 Q C -1.341 174.770 176.000 0.185 0.000 0.988 607 Q CA -1.174 54.669 55.803 0.068 0.000 0.761 607 Q CB 1.646 30.364 28.738 -0.033 0.000 1.494 607 Q HN 0.051 nan 8.270 nan 0.000 0.439 608 Y N -2.555 117.730 120.300 -0.024 0.000 2.814 608 Y HA 0.633 5.183 4.550 0.000 0.000 0.348 608 Y C -1.792 174.136 175.900 0.047 0.000 1.245 608 Y CA -1.552 56.556 58.100 0.014 0.000 1.086 608 Y CB 1.124 39.597 38.460 0.021 0.000 1.373 608 Y HN 0.541 nan 8.280 nan 0.000 0.451 609 M N 2.945 122.714 119.600 0.282 0.000 2.205 609 M HA 0.380 4.860 4.480 0.000 0.000 0.344 609 M C -1.359 175.134 176.300 0.322 0.000 1.085 609 M CA -0.700 54.735 55.300 0.224 0.000 1.001 609 M CB 1.439 34.181 32.600 0.237 0.000 1.626 609 M HN 0.721 nan 8.290 nan 0.000 0.442 610 L N 4.024 125.415 121.223 0.279 0.000 2.272 610 L HA 0.687 5.027 4.340 0.000 0.000 0.284 610 L C 0.428 177.452 176.870 0.257 0.000 1.045 610 L CA 0.725 55.760 54.840 0.325 0.000 0.842 610 L CB 0.093 42.363 42.059 0.353 0.000 1.224 610 L HN 0.949 nan 8.230 nan 0.000 0.430 611 G N 3.881 112.762 108.800 0.134 0.000 2.828 611 G HA2 -0.246 3.714 3.960 0.000 0.000 0.463 611 G HA3 -0.246 3.714 3.960 0.000 0.000 0.463 611 G C 0.309 175.289 174.900 0.133 0.000 1.394 611 G CA -0.080 45.038 45.100 0.030 0.000 0.862 611 G HN 0.562 nan 8.290 nan 0.000 0.540 612 D N 0.393 120.856 120.400 0.105 0.000 2.144 612 D HA -0.085 4.555 4.640 0.000 0.000 0.199 612 D C 1.996 178.371 176.300 0.125 0.000 0.984 612 D CA 1.562 55.607 54.000 0.076 0.000 0.834 612 D CB -0.012 40.804 40.800 0.027 0.000 0.955 612 D HN 0.433 nan 8.370 nan 0.000 0.465 613 N N 0.140 118.970 118.700 0.216 0.000 2.236 613 N HA 0.015 4.755 4.740 0.000 0.000 0.196 613 N C 0.248 175.798 175.510 0.067 0.000 1.114 613 N CA 0.029 53.124 53.050 0.074 0.000 0.859 613 N CB 1.998 40.442 38.487 -0.071 0.000 0.982 613 N HN 0.055 nan 8.380 nan 0.000 0.493 614 V N 1.524 121.534 119.914 0.161 0.000 2.604 614 V HA 0.502 4.622 4.120 0.000 0.000 0.305 614 V C -0.945 175.221 176.094 0.121 0.000 1.043 614 V CA -0.815 61.547 62.300 0.105 0.000 0.888 614 V CB 2.384 34.200 31.823 -0.012 0.000 0.995 614 V HN -0.059 nan 8.190 nan 0.000 0.429 615 M N 7.584 127.220 119.600 0.060 0.000 2.149 615 M HA 0.558 5.038 4.480 0.000 0.000 0.342 615 M C -1.485 174.630 176.300 -0.309 0.000 1.068 615 M CA -0.394 54.825 55.300 -0.135 0.000 0.991 615 M CB 1.120 33.539 32.600 -0.301 0.000 1.596 615 M HN 0.746 nan 8.290 nan 0.000 0.439 616 V N 5.536 125.151 119.914 -0.498 0.000 2.444 616 V HA 0.886 5.006 4.120 0.000 0.000 0.294 616 V C -1.112 174.582 176.094 -0.667 0.000 1.022 616 V CA -0.346 61.602 62.300 -0.586 0.000 0.850 616 V CB 1.462 32.965 31.823 -0.533 0.000 0.992 616 V HN 0.976 nan 8.190 nan 0.000 0.426 617 A N 8.122 130.632 122.820 -0.517 0.000 2.316 617 A HA 0.873 5.193 4.320 0.000 0.000 0.324 617 A C -2.777 174.601 177.584 -0.343 0.000 1.375 617 A CA -1.792 50.020 52.037 -0.375 0.000 0.882 617 A CB 0.792 19.564 19.000 -0.380 0.000 1.152 617 A HN 0.744 nan 8.150 nan 0.000 0.512 618 P HA 0.172 nan 4.420 nan 0.000 0.269 618 P C -0.344 176.606 177.300 -0.584 0.000 1.209 618 P CA -0.016 62.767 63.100 -0.528 0.000 0.776 618 P CB 0.819 31.990 31.700 -0.882 0.000 0.876 619 V N 4.032 123.658 119.914 -0.480 0.000 2.406 619 V HA 0.151 4.271 4.120 0.000 0.000 0.272 619 V C 0.425 176.244 176.094 -0.459 0.000 1.043 619 V CA 0.338 62.448 62.300 -0.317 0.000 0.915 619 V CB -0.107 31.625 31.823 -0.153 0.000 0.988 619 V HN 0.466 nan 8.190 nan 0.000 0.466 620 F N 2.708 122.539 119.950 -0.200 0.000 2.684 620 F HA 0.257 4.784 4.527 0.000 0.000 0.298 620 F C 1.129 176.340 175.800 -0.982 0.000 1.120 620 F CA -0.217 57.533 58.000 -0.417 0.000 1.332 620 F CB 0.417 39.299 39.000 -0.197 0.000 0.986 620 F HN 0.588 nan 8.300 nan 0.000 0.524 621 T N -4.833 109.347 114.554 -0.623 0.000 2.883 621 T HA 0.303 4.653 4.350 0.000 0.000 0.296 621 T C 0.706 175.298 174.700 -0.180 0.000 1.117 621 T CA -0.691 61.104 62.100 -0.509 0.000 1.006 621 T CB 2.410 71.180 68.868 -0.164 0.000 1.191 621 T HN 0.121 nan 8.240 nan 0.000 0.508 622 E N 0.654 120.859 120.200 0.007 0.000 2.028 622 E HA -0.038 4.312 4.350 0.000 0.000 0.190 622 E C 2.377 178.975 176.600 -0.003 0.000 0.984 622 E CA 1.124 57.550 56.400 0.045 0.000 0.800 622 E CB -0.470 29.052 29.700 -0.298 0.000 0.758 622 E HN 0.791 nan 8.360 nan 0.000 0.448 623 A N 0.107 122.908 122.820 -0.032 0.000 1.986 623 A HA -0.123 4.197 4.320 0.000 0.000 0.220 623 A C 1.955 179.492 177.584 -0.079 0.000 1.171 623 A CA 2.070 54.084 52.037 -0.039 0.000 0.640 623 A CB -0.807 18.185 19.000 -0.014 0.000 0.811 623 A HN 0.612 nan 8.150 nan 0.000 0.451 624 G N -1.664 107.090 108.800 -0.077 0.000 2.184 624 G HA2 -0.154 3.806 3.960 0.000 0.000 0.206 624 G HA3 -0.154 3.806 3.960 0.000 0.000 0.206 624 G C -0.353 174.560 174.900 0.021 0.000 0.995 624 G CA 0.141 45.201 45.100 -0.067 0.000 0.651 624 G HN 0.502 nan 8.290 nan 0.000 0.511 625 D N 0.099 120.513 120.400 0.023 0.000 2.414 625 D HA 0.450 5.091 4.640 0.000 0.000 0.242 625 D C 0.003 176.361 176.300 0.097 0.000 1.129 625 D CA 0.658 54.700 54.000 0.069 0.000 0.885 625 D CB 2.339 43.167 40.800 0.047 0.000 1.198 625 D HN 0.441 nan 8.370 nan 0.000 0.437 626 V N 2.061 122.076 119.914 0.169 0.000 2.852 626 V HA 0.165 4.285 4.120 0.000 0.000 0.300 626 V C -1.636 174.659 176.094 0.336 0.000 1.205 626 V CA -0.573 61.859 62.300 0.220 0.000 0.940 626 V CB 2.106 34.024 31.823 0.158 0.000 1.047 626 V HN 0.442 nan 8.190 nan 0.000 0.429 627 Q N 5.863 125.868 119.800 0.343 0.000 2.331 627 Q HA 0.689 5.029 4.340 0.000 0.000 0.267 627 Q C -1.403 174.929 176.000 0.552 0.000 1.006 627 Q CA -0.431 55.598 55.803 0.377 0.000 0.818 627 Q CB 2.437 31.334 28.738 0.267 0.000 1.276 627 Q HN 0.728 nan 8.270 nan 0.000 0.450 628 F N -0.557 119.537 119.950 0.240 0.000 2.613 628 F HA 0.617 5.144 4.527 0.000 0.000 0.314 628 F C -1.505 174.000 175.800 -0.492 0.000 1.075 628 F CA -1.470 56.473 58.000 -0.095 0.000 0.945 628 F CB 1.046 39.962 39.000 -0.140 0.000 1.310 628 F HN 0.425 nan 8.300 nan 0.000 0.467 629 Y N 2.230 121.875 120.300 -1.092 0.000 2.387 629 Y HA 0.754 5.304 4.550 0.000 0.000 0.330 629 Y C -1.792 173.645 175.900 -0.772 0.000 1.133 629 Y CA -1.315 55.970 58.100 -1.359 0.000 1.152 629 Y CB 1.635 39.004 38.460 -1.818 0.000 1.215 629 Y HN 0.763 nan 8.280 nan 0.000 0.466 630 L N 8.489 128.685 121.223 -1.713 0.000 2.349 630 L HA 0.597 4.937 4.340 0.000 0.000 0.278 630 L C -2.450 173.586 176.870 -1.390 0.000 0.996 630 L CA -2.530 51.475 54.840 -1.391 0.000 0.825 630 L CB 1.767 43.218 42.059 -1.014 0.000 1.243 630 L HN 0.575 nan 8.230 nan 0.000 0.412 631 P HA 0.073 nan 4.420 nan 0.000 0.274 631 P C -0.774 176.537 177.300 0.020 0.000 1.260 631 P CA -0.530 62.336 63.100 -0.390 0.000 0.793 631 P CB 0.429 31.607 31.700 -0.871 0.000 1.048 632 E N 0.281 120.516 120.200 0.058 0.000 2.534 632 E HA 0.231 4.582 4.350 0.000 0.000 0.264 632 E C 0.176 176.834 176.600 0.097 0.000 0.981 632 E CA 0.803 57.258 56.400 0.091 0.000 0.948 632 E CB -0.446 29.304 29.700 0.083 0.000 0.934 632 E HN 0.656 nan 8.360 nan 0.000 0.459 633 G N 2.785 111.612 108.800 0.044 0.000 2.440 633 G HA2 -0.150 3.810 3.960 0.000 0.000 0.684 633 G HA3 -0.150 3.810 3.960 0.000 0.000 0.684 633 G C -1.109 173.768 174.900 -0.037 0.000 1.309 633 G CA -0.384 44.661 45.100 -0.092 0.000 0.931 633 G HN 0.678 nan 8.290 nan 0.000 0.612 634 R N -0.089 120.349 120.500 -0.104 0.000 2.215 634 R HA 0.574 4.914 4.340 0.000 0.000 0.337 634 R C -0.634 175.650 176.300 -0.027 0.000 1.010 634 R CA -0.739 55.371 56.100 0.018 0.000 0.871 634 R CB 0.363 30.680 30.300 0.029 0.000 1.134 634 R HN 0.486 nan 8.270 nan 0.000 0.477 635 W N 2.657 123.935 121.300 -0.038 0.000 2.313 635 W HA 0.338 4.998 4.660 0.000 0.000 0.328 635 W C -0.088 176.522 176.519 0.151 0.000 1.197 635 W CA -0.315 57.034 57.345 0.006 0.000 1.235 635 W CB 1.741 31.140 29.460 -0.102 0.000 1.158 635 W HN 0.346 nan 8.180 nan 0.000 0.578 636 T N 2.493 117.308 114.554 0.435 0.000 2.792 636 T HA 0.080 4.430 4.350 0.000 0.000 0.280 636 T C -0.497 174.401 174.700 0.330 0.000 0.990 636 T CA -0.584 61.778 62.100 0.438 0.000 0.960 636 T CB 0.652 69.839 68.868 0.531 0.000 0.939 636 T HN 0.267 nan 8.240 nan 0.000 0.439 637 H N 3.282 122.412 119.070 0.100 0.000 2.964 637 H HA 0.054 4.610 4.556 0.000 0.000 0.328 637 H C 0.976 176.133 175.328 -0.286 0.000 1.030 637 H CA -0.465 55.288 56.048 -0.492 0.000 1.445 637 H CB 0.773 30.162 29.762 -0.623 0.000 1.449 637 H HN 0.487 nan 8.280 nan 0.000 0.581 638 L N 5.904 126.778 121.223 -0.581 0.000 2.051 638 L HA -0.216 4.124 4.340 0.000 0.000 0.214 638 L C 1.640 178.612 176.870 0.170 0.000 1.076 638 L CA 2.440 57.173 54.840 -0.178 0.000 0.758 638 L CB -0.546 41.379 42.059 -0.223 0.000 0.890 638 L HN 0.859 nan 8.230 nan 0.000 0.433 639 W N -5.224 116.246 121.300 0.283 0.000 2.782 639 W HA 0.279 4.939 4.660 0.000 0.000 0.268 639 W C 1.772 178.375 176.519 0.140 0.000 1.043 639 W CA -0.077 57.354 57.345 0.143 0.000 1.387 639 W CB -0.804 28.695 29.460 0.065 0.000 0.904 639 W HN -0.060 nan 8.180 nan 0.000 0.625 640 H N 1.374 120.299 119.070 -0.242 0.000 2.547 640 H HA 0.031 4.587 4.556 0.000 0.000 0.272 640 H C 0.788 176.088 175.328 -0.047 0.000 0.989 640 H CA 0.890 56.770 56.048 -0.279 0.000 1.214 640 H CB -0.494 28.775 29.762 -0.820 0.000 1.389 640 H HN 0.236 nan 8.280 nan 0.000 0.577 641 N N 1.515 120.321 118.700 0.177 0.000 2.678 641 N HA -0.179 4.561 4.740 0.000 0.000 0.250 641 N C -0.771 174.847 175.510 0.179 0.000 1.136 641 N CA 0.965 54.131 53.050 0.194 0.000 0.757 641 N CB -0.661 37.922 38.487 0.160 0.000 1.135 641 N HN 0.637 nan 8.380 nan 0.000 0.565 642 D N -0.624 119.888 120.400 0.185 0.000 2.312 642 D HA 0.239 4.879 4.640 0.000 0.000 0.248 642 D C -0.151 176.314 176.300 0.276 0.000 1.086 642 D CA -0.065 54.043 54.000 0.179 0.000 0.948 642 D CB 0.984 41.862 40.800 0.130 0.000 1.162 642 D HN 0.312 nan 8.370 nan 0.000 0.446 643 E N -0.091 120.231 120.200 0.202 0.000 2.244 643 E HA 0.629 4.979 4.350 0.000 0.000 0.266 643 E C -0.697 175.956 176.600 0.088 0.000 0.914 643 E CA -0.928 55.588 56.400 0.193 0.000 0.794 643 E CB 2.418 32.203 29.700 0.143 0.000 1.210 643 E HN 0.337 nan 8.360 nan 0.000 0.414 644 L N 1.626 122.865 121.223 0.027 0.000 2.445 644 L HA 0.381 4.721 4.340 0.000 0.000 0.262 644 L C -0.965 175.911 176.870 0.010 0.000 0.974 644 L CA -1.077 53.675 54.840 -0.146 0.000 0.822 644 L CB 2.159 43.862 42.059 -0.594 0.000 1.339 644 L HN 0.406 nan 8.230 nan 0.000 0.409 645 D N 1.539 121.967 120.400 0.046 0.000 2.302 645 D HA 0.340 4.980 4.640 0.000 0.000 0.248 645 D C 0.323 176.704 176.300 0.135 0.000 1.094 645 D CA 0.070 54.132 54.000 0.103 0.000 0.897 645 D CB 2.193 43.035 40.800 0.070 0.000 1.200 645 D HN 0.660 nan 8.370 nan 0.000 0.429 646 G N -0.275 108.610 108.800 0.141 0.000 2.489 646 G HA2 0.246 4.206 3.960 0.000 0.000 0.271 646 G HA3 0.246 4.206 3.960 0.000 0.000 0.271 646 G C 0.098 174.929 174.900 -0.115 0.000 1.427 646 G CA -0.343 44.776 45.100 0.031 0.000 1.057 646 G HN 0.486 nan 8.290 nan 0.000 0.532 647 S N -1.471 114.103 115.700 -0.210 0.000 3.641 647 S HA -0.174 4.296 4.470 0.000 0.000 0.346 647 S C 0.313 174.866 174.600 -0.078 0.000 1.074 647 S CA 1.705 59.855 58.200 -0.084 0.000 1.026 647 S CB -1.448 61.766 63.200 0.024 0.000 0.908 647 S HN 1.188 nan 8.310 nan 0.000 0.479 648 R N -2.159 118.094 120.500 -0.412 0.000 2.741 648 R HA 0.495 4.835 4.340 0.000 0.000 0.276 648 R C -1.694 174.244 176.300 -0.603 0.000 1.028 648 R CA -1.155 54.793 56.100 -0.254 0.000 0.865 648 R CB 0.170 30.320 30.300 -0.249 0.000 1.268 648 R HN 0.113 nan 8.270 nan 0.000 0.475 649 W N 0.969 122.026 121.300 -0.405 0.000 2.313 649 W HA 0.463 5.123 4.660 0.000 0.000 0.328 649 W C 0.221 176.252 176.519 -0.813 0.000 1.197 649 W CA 0.367 57.426 57.345 -0.477 0.000 1.235 649 W CB 0.906 30.243 29.460 -0.205 0.000 1.158 649 W HN 0.307 nan 8.180 nan 0.000 0.578 650 H N 1.650 120.482 119.070 -0.395 0.000 2.717 650 H HA 0.325 4.881 4.556 0.000 0.000 0.366 650 H C -1.035 174.073 175.328 -0.367 0.000 1.132 650 H CA -1.132 54.597 56.048 -0.531 0.000 1.180 650 H CB 2.352 31.515 29.762 -0.999 0.000 1.678 650 H HN 0.262 nan 8.280 nan 0.000 0.537 651 K N 2.792 123.196 120.400 0.006 0.000 2.507 651 K HA 0.302 4.622 4.320 0.000 0.000 0.253 651 K C -0.802 175.889 176.600 0.152 0.000 0.969 651 K CA -0.299 56.043 56.287 0.092 0.000 0.908 651 K CB 1.206 33.743 32.500 0.061 0.000 1.127 651 K HN 0.620 nan 8.250 nan 0.000 0.437 652 Q N 1.470 121.437 119.800 0.277 0.000 2.814 652 Q HA 0.362 4.702 4.340 0.000 0.000 0.283 652 Q C -1.336 174.817 176.000 0.256 0.000 1.071 652 Q CA -0.975 55.000 55.803 0.287 0.000 0.849 652 Q CB 2.448 31.488 28.738 0.504 0.000 1.437 652 Q HN 0.505 nan 8.270 nan 0.000 0.492 653 Q N 0.529 120.441 119.800 0.188 0.000 2.268 653 Q HA 0.307 4.647 4.340 0.000 0.000 0.266 653 Q C -1.847 174.174 176.000 0.034 0.000 1.006 653 Q CA -0.263 55.625 55.803 0.141 0.000 0.824 653 Q CB 1.421 30.180 28.738 0.036 0.000 1.306 653 Q HN 0.694 nan 8.270 nan 0.000 0.424 654 H N 1.359 120.426 119.070 -0.006 0.000 2.747 654 H HA 0.521 5.077 4.556 0.000 0.000 0.371 654 H C -0.064 175.204 175.328 -0.100 0.000 1.161 654 H CA -0.753 55.290 56.048 -0.009 0.000 1.167 654 H CB 2.234 32.027 29.762 0.052 0.000 1.732 654 H HN 0.806 nan 8.280 nan 0.000 0.544 655 G N -0.023 108.793 108.800 0.025 0.000 2.543 655 G HA2 0.179 4.139 3.960 0.000 0.000 0.290 655 G HA3 0.179 4.139 3.960 0.000 0.000 0.290 655 G C 0.020 174.863 174.900 -0.095 0.000 1.310 655 G CA -0.480 44.547 45.100 -0.120 0.000 1.025 655 G HN 0.475 nan 8.290 nan 0.000 0.502 656 F N -1.201 118.839 119.950 0.151 0.000 2.641 656 F HA 0.107 4.634 4.527 0.000 0.000 0.298 656 F C 1.995 177.893 175.800 0.163 0.000 1.146 656 F CA 0.237 58.341 58.000 0.174 0.000 1.464 656 F CB 0.059 39.164 39.000 0.174 0.000 1.101 656 F HN 0.076 nan 8.300 nan 0.000 0.585 657 L N -1.503 119.817 121.223 0.162 0.000 2.728 657 L HA 0.264 4.604 4.340 0.000 0.000 0.238 657 L C 0.478 177.249 176.870 -0.164 0.000 1.143 657 L CA 0.145 54.861 54.840 -0.207 0.000 0.937 657 L CB -0.104 41.724 42.059 -0.386 0.000 1.225 657 L HN -0.023 nan 8.230 nan 0.000 0.507 658 S N -0.191 115.681 115.700 0.287 0.000 2.588 658 S HA 0.881 5.351 4.470 0.000 0.000 0.275 658 S C -1.403 173.471 174.600 0.457 0.000 1.130 658 S CA -0.585 57.959 58.200 0.572 0.000 0.855 658 S CB 1.275 64.887 63.200 0.687 0.000 1.116 658 S HN 0.134 nan 8.310 nan 0.000 0.472 659 L N -0.576 120.835 121.223 0.312 0.000 2.866 659 L HA 0.666 5.006 4.340 0.000 0.000 0.262 659 L C -3.211 173.386 176.870 -0.454 0.000 0.986 659 L CA -2.094 52.530 54.840 -0.360 0.000 0.925 659 L CB 1.493 43.460 42.059 -0.153 0.000 1.484 659 L HN 0.361 nan 8.230 nan 0.000 0.414 660 P HA 0.167 nan 4.420 nan 0.000 0.261 660 P C -0.869 176.054 177.300 -0.629 0.000 1.203 660 P CA 0.194 62.916 63.100 -0.629 0.000 0.767 660 P CB 0.720 31.768 31.700 -1.087 0.000 0.785 661 V N 5.763 125.117 119.914 -0.933 0.000 2.538 661 V HA 0.237 4.357 4.120 0.000 0.000 0.265 661 V C -0.864 174.595 176.094 -1.057 0.000 0.977 661 V CA -0.521 61.273 62.300 -0.844 0.000 0.852 661 V CB -0.080 31.281 31.823 -0.770 0.000 1.058 661 V HN 0.378 nan 8.190 nan 0.000 0.462 662 Y N 1.777 121.793 120.300 -0.474 0.000 2.342 662 Y HA 0.650 5.200 4.550 0.000 0.000 0.334 662 Y C 0.349 176.259 175.900 0.017 0.000 1.067 662 Y CA -0.815 57.151 58.100 -0.222 0.000 1.128 662 Y CB 1.998 40.395 38.460 -0.105 0.000 1.200 662 Y HN 0.342 nan 8.280 nan 0.000 0.464 663 V N 4.175 124.121 119.914 0.054 0.000 2.539 663 V HA 0.436 4.556 4.120 0.000 0.000 0.292 663 V C 0.116 176.096 176.094 -0.191 0.000 1.045 663 V CA -1.384 60.774 62.300 -0.237 0.000 0.945 663 V CB 1.050 32.246 31.823 -1.045 0.000 0.993 663 V HN 0.710 nan 8.190 nan 0.000 0.464 664 R N 2.094 122.331 120.500 -0.439 0.000 2.641 664 R HA 0.251 4.591 4.340 0.000 0.000 0.269 664 R C -0.279 175.711 176.300 -0.517 0.000 1.074 664 R CA -0.612 54.945 56.100 -0.905 0.000 1.133 664 R CB 0.295 30.193 30.300 -0.669 0.000 1.029 664 R HN 0.908 nan 8.270 nan 0.000 0.488 665 D N 1.003 121.086 120.400 -0.528 0.000 2.360 665 D HA -0.052 4.588 4.640 0.000 0.000 0.242 665 D C -0.062 176.129 176.300 -0.182 0.000 1.184 665 D CA -0.472 53.385 54.000 -0.239 0.000 0.930 665 D CB 0.243 40.906 40.800 -0.228 0.000 1.161 665 D HN 0.500 nan 8.370 nan 0.000 0.447 666 N N -1.083 117.573 118.700 -0.075 0.000 2.735 666 N HA -0.148 4.592 4.740 0.000 0.000 0.248 666 N C -0.923 174.567 175.510 -0.033 0.000 1.083 666 N CA 0.930 53.942 53.050 -0.064 0.000 0.703 666 N CB -1.621 36.755 38.487 -0.185 0.000 1.005 666 N HN 0.556 nan 8.380 nan 0.000 0.550 667 T N 0.968 115.547 114.554 0.042 0.000 2.823 667 T HA 0.526 4.876 4.350 0.000 0.000 0.279 667 T C 0.116 174.939 174.700 0.205 0.000 0.998 667 T CA -0.518 61.620 62.100 0.062 0.000 0.994 667 T CB 2.265 71.096 68.868 -0.061 0.000 0.960 667 T HN 0.135 nan 8.240 nan 0.000 0.448 668 L N 4.693 126.006 121.223 0.150 0.000 2.408 668 L HA 0.544 4.884 4.340 0.000 0.000 0.257 668 L C -1.096 175.917 176.870 0.238 0.000 1.053 668 L CA -0.709 54.247 54.840 0.193 0.000 0.922 668 L CB 0.361 42.469 42.059 0.082 0.000 1.261 668 L HN 0.460 nan 8.230 nan 0.000 0.458 669 L N 3.618 125.036 121.223 0.324 0.000 2.418 669 L HA 0.779 5.119 4.340 0.000 0.000 0.265 669 L C 0.047 177.133 176.870 0.359 0.000 1.143 669 L CA -0.006 54.979 54.840 0.242 0.000 0.809 669 L CB 1.514 43.671 42.059 0.164 0.000 1.124 669 L HN 0.667 nan 8.230 nan 0.000 0.456 670 A N 4.887 127.858 122.820 0.252 0.000 2.310 670 A HA 0.700 5.020 4.320 0.000 0.000 0.304 670 A C -1.355 176.280 177.584 0.084 0.000 1.231 670 A CA -0.470 51.647 52.037 0.133 0.000 0.799 670 A CB 0.399 19.486 19.000 0.145 0.000 1.162 670 A HN 0.485 nan 8.150 nan 0.000 0.486 671 L N 1.943 123.221 121.223 0.092 0.000 2.331 671 L HA 0.716 5.056 4.340 0.000 0.000 0.275 671 L C 1.079 178.018 176.870 0.115 0.000 1.022 671 L CA 0.079 54.993 54.840 0.123 0.000 0.812 671 L CB 1.619 43.776 42.059 0.164 0.000 1.257 671 L HN 0.747 nan 8.230 nan 0.000 0.435 672 G N 0.315 109.241 108.800 0.210 0.000 2.528 672 G HA2 0.286 4.246 3.960 0.000 0.000 0.289 672 G HA3 0.286 4.246 3.960 0.000 0.000 0.289 672 G C 0.342 175.367 174.900 0.208 0.000 1.192 672 G CA -0.382 44.927 45.100 0.348 0.000 0.921 672 G HN 0.764 nan 8.290 nan 0.000 0.512 673 N N -0.524 118.279 118.700 0.171 0.000 2.214 673 N HA 0.012 4.752 4.740 0.000 0.000 0.214 673 N C -0.311 175.113 175.510 -0.143 0.000 1.132 673 N CA -0.384 52.676 53.050 0.017 0.000 0.856 673 N CB 0.461 38.964 38.487 0.026 0.000 1.020 673 N HN 0.313 nan 8.380 nan 0.000 0.509 674 N N 1.488 119.972 118.700 -0.360 0.000 2.531 674 N HA 0.053 4.793 4.740 0.000 0.000 0.268 674 N C -0.984 174.312 175.510 -0.357 0.000 1.023 674 N CA -0.231 52.466 53.050 -0.589 0.000 0.896 674 N CB 1.197 38.846 38.487 -1.396 0.000 1.233 674 N HN 0.188 nan 8.380 nan 0.000 0.512 675 D N 2.113 122.414 120.400 -0.165 0.000 2.491 675 D HA 0.079 4.719 4.640 0.000 0.000 0.228 675 D C 0.205 176.494 176.300 -0.018 0.000 1.183 675 D CA 0.139 54.100 54.000 -0.064 0.000 0.827 675 D CB 0.629 41.388 40.800 -0.068 0.000 0.989 675 D HN 0.339 nan 8.370 nan 0.000 0.494 676 Q N 0.311 120.094 119.800 -0.027 0.000 2.471 676 Q HA 0.159 4.499 4.340 0.000 0.000 0.241 676 Q C 0.701 176.840 176.000 0.231 0.000 0.886 676 Q CA 0.558 56.398 55.803 0.061 0.000 0.953 676 Q CB 1.357 30.094 28.738 -0.001 0.000 1.108 676 Q HN 0.493 nan 8.270 nan 0.000 0.575 677 R N 0.140 120.731 120.500 0.152 0.000 2.771 677 R HA 0.428 4.768 4.340 0.000 0.000 0.274 677 R C -2.413 174.033 176.300 0.242 0.000 0.987 677 R CA -1.540 54.706 56.100 0.243 0.000 0.908 677 R CB 1.596 32.035 30.300 0.232 0.000 1.213 677 R HN -0.274 nan 8.270 nan 0.000 0.468 678 P HA -0.105 nan 4.420 nan 0.000 0.218 678 P C -0.574 176.976 177.300 0.417 0.000 1.152 678 P CA 1.057 64.333 63.100 0.293 0.000 0.826 678 P CB -0.007 31.776 31.700 0.139 0.000 0.790 679 D N 0.504 121.065 120.400 0.268 0.000 2.396 679 D HA 0.191 4.831 4.640 0.000 0.000 0.225 679 D C -0.008 176.270 176.300 -0.038 0.000 1.121 679 D CA -0.730 53.279 54.000 0.014 0.000 0.853 679 D CB 0.221 41.053 40.800 0.053 0.000 1.043 679 D HN 0.270 nan 8.370 nan 0.000 0.500 680 Y N -0.831 119.101 120.300 -0.614 0.000 2.958 680 Y HA 0.419 4.969 4.550 0.000 0.000 0.315 680 Y C -1.220 174.215 175.900 -0.776 0.000 1.541 680 Y CA -1.691 56.101 58.100 -0.513 0.000 1.087 680 Y CB 0.695 39.002 38.460 -0.256 0.000 1.593 680 Y HN 0.036 nan 8.280 nan 0.000 0.446 681 V N 3.771 123.546 119.914 -0.232 0.000 2.326 681 V HA 0.071 4.191 4.120 0.000 0.000 0.249 681 V C -0.111 175.886 176.094 -0.162 0.000 1.114 681 V CA -0.378 61.768 62.300 -0.257 0.000 1.028 681 V CB -0.673 31.049 31.823 -0.169 0.000 1.170 681 V HN 0.780 nan 8.190 nan 0.000 0.494 682 W N 4.485 125.698 121.300 -0.145 0.000 2.388 682 W HA -0.059 4.601 4.660 0.000 0.000 0.294 682 W C 1.867 178.382 176.519 -0.007 0.000 1.212 682 W CA 1.108 58.359 57.345 -0.157 0.000 1.271 682 W CB -0.729 28.610 29.460 -0.201 0.000 1.126 682 W HN 0.938 nan 8.180 nan 0.000 0.535 683 H N -0.461 118.706 119.070 0.163 0.000 2.770 683 H HA 0.288 4.844 4.556 0.000 0.000 0.315 683 H C -0.557 174.786 175.328 0.024 0.000 1.127 683 H CA 0.585 56.673 56.048 0.067 0.000 1.155 683 H CB -0.443 29.358 29.762 0.066 0.000 1.397 683 H HN -0.007 nan 8.280 nan 0.000 0.538 684 E N 0.405 120.505 120.200 -0.167 0.000 2.367 684 E HA 0.309 4.659 4.350 0.000 0.000 0.292 684 E C 0.204 176.800 176.600 -0.007 0.000 0.900 684 E CA 0.111 56.424 56.400 -0.146 0.000 0.807 684 E CB 0.883 30.409 29.700 -0.290 0.000 1.337 684 E HN 0.588 nan 8.360 nan 0.000 0.394 685 G N 3.349 112.175 108.800 0.044 0.000 2.143 685 G HA2 -0.266 3.694 3.960 0.000 0.000 0.249 685 G HA3 -0.266 3.694 3.960 0.000 0.000 0.249 685 G C 0.369 175.305 174.900 0.061 0.000 0.981 685 G CA 0.439 45.572 45.100 0.056 0.000 0.665 685 G HN 0.527 nan 8.290 nan 0.000 0.528 686 T N 0.677 115.250 114.554 0.032 0.000 2.940 686 T HA 0.493 4.843 4.350 0.000 0.000 0.309 686 T C 0.562 175.162 174.700 -0.167 0.000 1.056 686 T CA 0.738 62.760 62.100 -0.130 0.000 1.137 686 T CB 1.754 70.382 68.868 -0.400 0.000 0.976 686 T HN 1.542 nan 8.240 nan 0.000 0.547 687 A N 3.075 125.776 122.820 -0.199 0.000 2.328 687 A HA 0.639 4.959 4.320 0.000 0.000 0.318 687 A C -0.440 177.022 177.584 -0.203 0.000 1.347 687 A CA -0.775 51.193 52.037 -0.116 0.000 0.842 687 A CB -0.102 18.923 19.000 0.042 0.000 1.148 687 A HN 0.657 nan 8.150 nan 0.000 0.499 688 F N 1.849 121.818 119.950 0.032 0.000 2.389 688 F HA 0.370 4.897 4.527 0.000 0.000 0.337 688 F C 1.035 176.723 175.800 -0.186 0.000 1.112 688 F CA 0.603 58.626 58.000 0.038 0.000 1.192 688 F CB 0.853 39.890 39.000 0.062 0.000 1.185 688 F HN 0.481 nan 8.300 nan 0.000 0.552 689 H N 3.258 122.497 119.070 0.281 0.000 2.744 689 H HA 0.303 4.859 4.556 0.000 0.000 0.339 689 H C -1.314 174.038 175.328 0.040 0.000 1.004 689 H CA -0.865 55.229 56.048 0.077 0.000 1.257 689 H CB 2.250 32.041 29.762 0.049 0.000 1.552 689 H HN 0.378 nan 8.280 nan 0.000 0.522 690 L N 3.957 125.172 121.223 -0.013 0.000 2.275 690 L HA 0.350 4.690 4.340 0.000 0.000 0.288 690 L C -1.235 175.539 176.870 -0.161 0.000 1.046 690 L CA -0.171 54.679 54.840 0.016 0.000 0.805 690 L CB 0.044 42.114 42.059 0.019 0.000 1.193 690 L HN 0.357 nan 8.230 nan 0.000 0.426 691 F N 4.338 124.317 119.950 0.048 0.000 2.375 691 F HA 0.381 4.908 4.527 0.000 0.000 0.361 691 F C 0.833 176.627 175.800 -0.010 0.000 1.117 691 F CA -0.721 57.292 58.000 0.022 0.000 1.037 691 F CB 0.514 39.511 39.000 -0.005 0.000 1.192 691 F HN 0.626 nan 8.300 nan 0.000 0.452 692 N N 3.026 121.799 118.700 0.121 0.000 2.678 692 N HA -0.251 4.489 4.740 0.000 0.000 0.268 692 N C -0.688 174.852 175.510 0.050 0.000 1.010 692 N CA -0.153 52.939 53.050 0.070 0.000 0.784 692 N CB -0.451 38.071 38.487 0.058 0.000 0.905 692 N HN 0.534 nan 8.380 nan 0.000 0.552 693 L N 1.612 122.868 121.223 0.055 0.000 2.456 693 L HA 0.047 4.387 4.340 0.000 0.000 0.277 693 L C 0.675 177.594 176.870 0.082 0.000 1.124 693 L CA 0.035 54.911 54.840 0.061 0.000 0.880 693 L CB 0.327 42.419 42.059 0.056 0.000 1.192 693 L HN 0.319 nan 8.230 nan 0.000 0.463 694 Q N 2.742 122.623 119.800 0.134 0.000 2.354 694 Q HA 0.060 4.400 4.340 0.000 0.000 0.244 694 Q C -0.432 175.666 176.000 0.163 0.000 0.969 694 Q CA -0.605 55.313 55.803 0.193 0.000 0.885 694 Q CB 1.044 29.976 28.738 0.323 0.000 1.241 694 Q HN 0.500 nan 8.270 nan 0.000 0.461 695 D N 0.368 120.806 120.400 0.064 0.000 2.502 695 D HA 0.073 4.713 4.640 0.000 0.000 0.249 695 D C 0.671 176.888 176.300 -0.138 0.000 1.188 695 D CA 1.941 55.931 54.000 -0.017 0.000 0.890 695 D CB -0.069 40.721 40.800 -0.016 0.000 1.140 695 D HN 0.719 nan 8.370 nan 0.000 0.505 696 G N 3.117 111.829 108.800 -0.147 0.000 2.132 696 G HA2 -0.200 3.760 3.960 0.000 0.000 0.228 696 G HA3 -0.200 3.760 3.960 0.000 0.000 0.228 696 G C -0.022 174.647 174.900 -0.385 0.000 1.000 696 G CA -0.065 44.884 45.100 -0.251 0.000 0.693 696 G HN 0.694 nan 8.290 nan 0.000 0.515 697 H N -0.266 118.797 119.070 -0.012 0.000 2.731 697 H HA 0.661 5.217 4.556 0.000 0.000 0.368 697 H C -0.516 174.801 175.328 -0.018 0.000 1.168 697 H CA -0.567 55.471 56.048 -0.016 0.000 1.181 697 H CB 2.069 31.821 29.762 -0.016 0.000 1.743 697 H HN 0.358 nan 8.280 nan 0.000 0.547 698 E N 1.045 121.319 120.200 0.124 0.000 2.216 698 E HA 0.561 4.911 4.350 0.000 0.000 0.260 698 E C -1.344 175.271 176.600 0.024 0.000 0.880 698 E CA -0.940 55.488 56.400 0.046 0.000 0.765 698 E CB 1.218 30.926 29.700 0.014 0.000 1.174 698 E HN 0.697 nan 8.360 nan 0.000 0.417 699 A N 3.940 126.767 122.820 0.012 0.000 2.274 699 A HA 0.548 4.868 4.320 0.000 0.000 0.309 699 A C -0.640 176.927 177.584 -0.027 0.000 1.226 699 A CA -0.518 51.518 52.037 -0.001 0.000 0.853 699 A CB 0.941 19.953 19.000 0.021 0.000 1.146 699 A HN 0.406 nan 8.150 nan 0.000 0.518 700 V N 1.206 121.101 119.914 -0.032 0.000 2.667 700 V HA 0.592 4.712 4.120 0.000 0.000 0.308 700 V C -0.261 175.811 176.094 -0.035 0.000 1.048 700 V CA -0.590 61.673 62.300 -0.062 0.000 0.928 700 V CB 1.648 33.432 31.823 -0.065 0.000 1.004 700 V HN 1.049 nan 8.190 nan 0.000 0.444 701 C N 3.696 122.957 119.300 -0.066 0.000 2.522 701 C HA 0.527 4.987 4.460 0.000 0.000 0.344 701 C C -0.368 174.622 174.990 0.001 0.000 1.104 701 C CA -0.473 58.556 59.018 0.019 0.000 1.317 701 C CB 0.270 28.061 27.740 0.085 0.000 1.896 701 C HN 1.010 nan 8.230 nan 0.000 0.443 702 E N 4.373 124.595 120.200 0.037 0.000 2.035 702 E HA 0.331 4.681 4.350 0.000 0.000 0.271 702 E C -0.540 176.119 176.600 0.099 0.000 0.953 702 E CA -0.310 56.106 56.400 0.027 0.000 0.777 702 E CB 1.491 31.184 29.700 -0.012 0.000 1.104 702 E HN 0.582 nan 8.360 nan 0.000 0.408 703 V N 6.541 126.572 119.914 0.194 0.000 2.439 703 V HA 0.136 4.256 4.120 0.000 0.000 0.271 703 V C -1.633 174.569 176.094 0.180 0.000 1.040 703 V CA -1.309 61.132 62.300 0.235 0.000 1.002 703 V CB 0.241 32.303 31.823 0.400 0.000 1.000 703 V HN 0.565 nan 8.190 nan 0.000 0.477 704 P HA 0.425 nan 4.420 nan 0.000 0.279 704 P C -0.534 176.957 177.300 0.319 0.000 1.252 704 P CA -0.313 62.877 63.100 0.150 0.000 0.811 704 P CB 1.694 33.432 31.700 0.063 0.000 1.035 705 A N 1.525 124.509 122.820 0.273 0.000 2.298 705 A HA 0.594 4.914 4.320 0.000 0.000 0.302 705 A C 1.689 179.525 177.584 0.419 0.000 1.177 705 A CA 0.129 52.321 52.037 0.257 0.000 0.912 705 A CB -0.375 18.681 19.000 0.093 0.000 1.331 705 A HN 0.501 nan 8.150 nan 0.000 0.504 706 A N 0.025 122.977 122.820 0.220 0.000 1.865 706 A HA -0.200 4.120 4.320 0.000 0.000 0.217 706 A C 1.407 179.185 177.584 0.322 0.000 1.191 706 A CA 2.443 54.585 52.037 0.174 0.000 0.623 706 A CB -1.197 17.810 19.000 0.011 0.000 0.826 706 A HN 0.922 nan 8.150 nan 0.000 0.444 707 D N -2.371 118.164 120.400 0.226 0.000 2.378 707 D HA 0.263 4.903 4.640 0.000 0.000 0.222 707 D C 1.248 177.682 176.300 0.223 0.000 0.980 707 D CA 1.341 55.465 54.000 0.206 0.000 0.907 707 D CB -0.385 40.487 40.800 0.121 0.000 0.899 707 D HN 0.892 nan 8.370 nan 0.000 0.527 708 G N -0.105 108.872 108.800 0.295 0.000 2.279 708 G HA2 -0.305 3.655 3.960 0.000 0.000 0.223 708 G HA3 -0.305 3.655 3.960 0.000 0.000 0.223 708 G C 0.580 175.523 174.900 0.071 0.000 1.015 708 G CA 0.256 45.446 45.100 0.150 0.000 0.621 708 G HN 0.897 nan 8.290 nan 0.000 0.506 709 S N 0.093 115.836 115.700 0.072 0.000 2.569 709 S HA 0.439 4.910 4.470 0.000 0.000 0.274 709 S C 0.579 175.207 174.600 0.046 0.000 1.353 709 S CA 0.148 58.371 58.200 0.039 0.000 1.023 709 S CB 1.589 64.811 63.200 0.036 0.000 0.876 709 S HN 1.240 nan 8.310 nan 0.000 0.540 710 V N 3.070 122.999 119.914 0.024 0.000 2.470 710 V HA 0.178 4.298 4.120 0.000 0.000 0.276 710 V C 1.140 177.259 176.094 0.042 0.000 1.040 710 V CA -0.002 62.316 62.300 0.031 0.000 1.008 710 V CB 0.394 32.217 31.823 -0.000 0.000 0.990 710 V HN 0.958 nan 8.190 nan 0.000 0.477 711 I N 4.226 124.839 120.570 0.072 0.000 3.708 711 I HA 0.337 4.507 4.170 0.000 0.000 0.302 711 I C -0.034 176.192 176.117 0.181 0.000 1.255 711 I CA 0.517 61.853 61.300 0.059 0.000 1.362 711 I CB 0.517 38.479 38.000 -0.062 0.000 1.100 711 I HN 0.544 nan 8.210 nan 0.000 0.434 712 F N 0.164 120.117 119.950 0.004 0.000 2.615 712 F HA 0.446 4.973 4.527 0.000 0.000 0.312 712 F C -1.196 174.592 175.800 -0.020 0.000 1.119 712 F CA -0.471 57.532 58.000 0.004 0.000 0.979 712 F CB 1.792 40.821 39.000 0.047 0.000 1.266 712 F HN -0.378 nan 8.300 nan 0.000 0.444 713 T N 6.870 120.966 114.554 -0.763 0.000 2.840 713 T HA 0.494 4.845 4.350 0.000 0.000 0.287 713 T C -1.661 172.506 174.700 -0.888 0.000 0.991 713 T CA -0.539 61.210 62.100 -0.584 0.000 0.964 713 T CB 1.402 70.075 68.868 -0.326 0.000 0.954 713 T HN 0.500 nan 8.240 nan 0.000 0.438 714 L N 3.580 124.388 121.223 -0.691 0.000 2.329 714 L HA 0.684 5.024 4.340 0.000 0.000 0.279 714 L C -0.802 175.843 176.870 -0.376 0.000 1.014 714 L CA -0.618 53.823 54.840 -0.665 0.000 0.814 714 L CB 1.499 43.007 42.059 -0.918 0.000 1.257 714 L HN 0.671 nan 8.230 nan 0.000 0.424 715 K N 3.604 123.838 120.400 -0.277 0.000 2.427 715 K HA 0.725 5.045 4.320 0.000 0.000 0.252 715 K C -1.071 175.466 176.600 -0.106 0.000 0.931 715 K CA -0.607 55.584 56.287 -0.160 0.000 0.793 715 K CB 2.357 34.780 32.500 -0.127 0.000 1.211 715 K HN 0.647 nan 8.250 nan 0.000 0.426 716 A N 1.930 124.711 122.820 -0.064 0.000 2.431 716 A HA 0.662 4.982 4.320 0.000 0.000 0.318 716 A C -0.759 176.822 177.584 -0.006 0.000 1.330 716 A CA -0.596 51.425 52.037 -0.026 0.000 0.804 716 A CB 0.715 19.709 19.000 -0.010 0.000 1.135 716 A HN 0.700 nan 8.150 nan 0.000 0.483 717 A N 2.639 125.456 122.820 -0.006 0.000 2.274 717 A HA 0.705 5.025 4.320 0.000 0.000 0.309 717 A C 0.263 177.850 177.584 0.005 0.000 1.226 717 A CA -0.585 51.453 52.037 0.001 0.000 0.853 717 A CB 0.428 19.422 19.000 -0.010 0.000 1.146 717 A HN 0.814 nan 8.150 nan 0.000 0.518 718 R N 2.330 122.837 120.500 0.011 0.000 2.265 718 R HA 0.370 4.710 4.340 0.000 0.000 0.328 718 R C 0.703 176.993 176.300 -0.015 0.000 0.969 718 R CA 0.124 56.228 56.100 0.006 0.000 0.832 718 R CB 1.285 31.598 30.300 0.021 0.000 1.139 718 R HN 0.864 nan 8.270 nan 0.000 0.457 719 T N 1.216 115.760 114.554 -0.015 0.000 2.764 719 T HA 0.132 4.482 4.350 0.000 0.000 0.243 719 T C 1.144 175.827 174.700 -0.028 0.000 1.065 719 T CA 1.518 63.603 62.100 -0.025 0.000 1.219 719 T CB -0.054 68.803 68.868 -0.018 0.000 0.918 719 T HN 0.714 nan 8.240 nan 0.000 0.409 720 G N -0.924 107.866 108.800 -0.017 0.000 2.884 720 G HA2 0.190 4.150 3.960 0.000 0.000 0.198 720 G HA3 0.190 4.150 3.960 0.000 0.000 0.198 720 G C 1.115 176.011 174.900 -0.006 0.000 1.083 720 G CA 0.455 45.546 45.100 -0.015 0.000 0.740 720 G HN 0.520 nan 8.290 nan 0.000 0.690 721 N N -1.180 117.518 118.700 -0.002 0.000 1.938 721 N HA 0.132 4.872 4.740 0.000 0.000 0.225 721 N C -0.766 174.747 175.510 0.005 0.000 1.400 721 N CA 0.037 53.089 53.050 0.003 0.000 0.772 721 N CB 1.162 39.651 38.487 0.003 0.000 1.124 721 N HN 0.024 nan 8.380 nan 0.000 0.513 722 T N 1.934 116.490 114.554 0.002 0.000 2.756 722 T HA 0.475 4.825 4.350 0.000 0.000 0.290 722 T C -0.125 174.579 174.700 0.005 0.000 0.985 722 T CA -0.488 61.614 62.100 0.004 0.000 0.955 722 T CB 0.572 69.441 68.868 0.002 0.000 0.930 722 T HN 0.178 nan 8.240 nan 0.000 0.451 723 I N 1.123 121.699 120.570 0.010 0.000 2.312 723 I HA 0.523 4.693 4.170 0.000 0.000 0.290 723 I C -0.236 175.889 176.117 0.013 0.000 1.008 723 I CA -0.616 60.691 61.300 0.012 0.000 1.226 723 I CB 0.978 38.988 38.000 0.018 0.000 1.371 723 I HN 0.312 nan 8.210 nan 0.000 0.468 724 T N 6.326 120.885 114.554 0.008 0.000 2.728 724 T HA 0.420 4.771 4.350 0.000 0.000 0.296 724 T C 0.179 174.884 174.700 0.008 0.000 0.940 724 T CA -0.376 61.730 62.100 0.009 0.000 1.013 724 T CB 1.373 70.243 68.868 0.003 0.000 0.912 724 T HN 0.433 nan 8.240 nan 0.000 0.484 725 V N 4.553 124.480 119.914 0.023 0.000 2.472 725 V HA 0.714 4.834 4.120 0.000 0.000 0.290 725 V C 0.498 176.611 176.094 0.032 0.000 1.037 725 V CA -0.819 61.495 62.300 0.023 0.000 0.908 725 V CB 1.492 33.355 31.823 0.066 0.000 0.985 725 V HN 1.087 nan 8.190 nan 0.000 0.454 726 T N 0.850 115.396 114.554 -0.014 0.000 2.912 726 T HA 0.771 5.121 4.350 0.000 0.000 0.299 726 T C -0.227 174.420 174.700 -0.087 0.000 1.052 726 T CA -0.534 61.560 62.100 -0.010 0.000 0.996 726 T CB 1.857 70.706 68.868 -0.031 0.000 1.070 726 T HN 0.977 nan 8.240 nan 0.000 0.465 727 G N 0.187 108.981 108.800 -0.011 0.000 2.461 727 G HA2 0.714 4.675 3.960 0.000 0.000 0.323 727 G HA3 0.714 4.675 3.960 0.000 0.000 0.323 727 G C -0.827 174.002 174.900 -0.118 0.000 1.229 727 G CA -1.018 43.997 45.100 -0.141 0.000 0.941 727 G HN 1.221 nan 8.290 nan 0.000 0.477 728 A N 1.327 123.920 122.820 -0.377 0.000 2.522 728 A HA 0.913 5.233 4.320 0.000 0.000 0.285 728 A C 0.475 177.996 177.584 -0.105 0.000 1.198 728 A CA 0.393 52.338 52.037 -0.152 0.000 0.742 728 A CB 0.695 19.605 19.000 -0.150 0.000 1.176 728 A HN 2.303 nan 8.150 nan 0.000 0.444 729 G N 0.853 109.752 108.800 0.165 0.000 2.350 729 G HA2 0.309 4.269 3.960 0.000 0.000 0.085 729 G HA3 0.309 4.269 3.960 0.000 0.000 0.085 729 G C -0.910 174.222 174.900 0.386 0.000 1.159 729 G CA 0.092 45.351 45.100 0.266 0.000 1.146 729 G HN 0.896 nan 8.290 nan 0.000 0.449 730 E N 0.157 120.612 120.200 0.426 0.000 2.260 730 E HA 0.633 4.983 4.350 0.000 0.000 0.266 730 E C -0.940 175.718 176.600 0.096 0.000 0.887 730 E CA -0.450 56.092 56.400 0.237 0.000 0.777 730 E CB 1.546 31.339 29.700 0.155 0.000 1.205 730 E HN 1.632 nan 8.360 nan 0.000 0.414 731 A N 4.077 126.860 122.820 -0.063 0.000 2.511 731 A HA 0.460 4.780 4.320 0.000 0.000 0.292 731 A C -1.520 176.119 177.584 0.093 0.000 1.045 731 A CA -0.880 51.037 52.037 -0.201 0.000 0.870 731 A CB 1.125 19.401 19.000 -1.206 0.000 1.361 731 A HN 0.432 nan 8.150 nan 0.000 0.396 732 K N 1.341 121.801 120.400 0.101 0.000 2.106 732 K HA 0.485 4.805 4.320 0.000 0.000 0.246 732 K C 0.705 177.386 176.600 0.135 0.000 0.987 732 K CA -0.580 55.772 56.287 0.107 0.000 0.904 732 K CB 0.509 33.025 32.500 0.026 0.000 1.071 732 K HN 0.759 nan 8.250 nan 0.000 0.453 733 N N 2.694 121.413 118.700 0.031 0.000 2.777 733 N HA -0.190 4.550 4.740 0.000 0.000 0.301 733 N C -1.333 174.226 175.510 0.082 0.000 1.107 733 N CA 0.618 53.654 53.050 -0.023 0.000 0.790 733 N CB -0.047 38.429 38.487 -0.018 0.000 0.980 733 N HN 0.537 nan 8.380 nan 0.000 0.584 734 W N 1.295 122.599 121.300 0.007 0.000 2.975 734 W HA 0.674 5.334 4.660 0.000 0.000 0.342 734 W C -0.394 176.177 176.519 0.087 0.000 1.168 734 W CA -0.402 56.968 57.345 0.042 0.000 1.141 734 W CB 0.366 29.898 29.460 0.119 0.000 1.445 734 W HN 0.274 nan 8.180 nan 0.000 0.560 735 T N -0.599 114.251 114.554 0.494 0.000 2.831 735 T HA 0.723 5.073 4.350 0.000 0.000 0.287 735 T C -1.372 173.656 174.700 0.547 0.000 1.070 735 T CA -0.933 61.363 62.100 0.326 0.000 1.010 735 T CB 2.164 71.097 68.868 0.107 0.000 1.264 735 T HN 0.705 nan 8.240 nan 0.000 0.532 736 L N 1.134 122.542 121.223 0.308 0.000 2.516 736 L HA 0.587 4.927 4.340 0.000 0.000 0.267 736 L C -1.165 175.737 176.870 0.054 0.000 0.957 736 L CA -0.619 54.375 54.840 0.258 0.000 0.860 736 L CB 1.016 43.285 42.059 0.351 0.000 1.265 736 L HN 1.174 nan 8.230 nan 0.000 0.403 737 C N 6.491 125.736 119.300 -0.091 0.000 2.319 737 C HA 0.528 4.988 4.460 0.000 0.000 0.335 737 C C 0.362 175.317 174.990 -0.059 0.000 1.274 737 C CA -0.688 58.272 59.018 -0.097 0.000 1.806 737 C CB 0.171 27.805 27.740 -0.175 0.000 2.329 737 C HN 0.755 nan 8.230 nan 0.000 0.524 738 L N 6.436 127.641 121.223 -0.030 0.000 2.358 738 L HA 0.308 4.648 4.340 0.000 0.000 0.274 738 L C 0.689 177.525 176.870 -0.057 0.000 1.136 738 L CA -0.293 54.525 54.840 -0.036 0.000 0.970 738 L CB -0.397 41.657 42.059 -0.008 0.000 1.314 738 L HN 0.711 nan 8.230 nan 0.000 0.427 739 R N 3.241 123.658 120.500 -0.137 0.000 2.481 739 R HA -0.114 4.226 4.340 0.000 0.000 0.291 739 R C 0.929 177.191 176.300 -0.063 0.000 0.934 739 R CA 0.657 56.657 56.100 -0.167 0.000 1.116 739 R CB -0.251 29.764 30.300 -0.475 0.000 0.895 739 R HN 0.547 nan 8.270 nan 0.000 0.410 740 N N 0.915 119.608 118.700 -0.012 0.000 2.708 740 N HA -0.200 4.540 4.740 0.000 0.000 0.251 740 N C -1.201 174.319 175.510 0.017 0.000 1.123 740 N CA 1.257 54.320 53.050 0.020 0.000 0.739 740 N CB -0.699 37.812 38.487 0.041 0.000 1.113 740 N HN 0.213 nan 8.380 nan 0.000 0.561 741 V N 1.755 121.674 119.914 0.007 0.000 2.293 741 V HA 0.149 4.269 4.120 0.000 0.000 0.275 741 V C 1.792 177.894 176.094 0.013 0.000 1.021 741 V CA -0.303 62.003 62.300 0.010 0.000 0.815 741 V CB 1.420 33.246 31.823 0.005 0.000 1.025 741 V HN 0.118 nan 8.190 nan 0.000 0.448 742 V N 2.348 122.273 119.914 0.017 0.000 2.229 742 V HA 0.088 4.208 4.120 0.000 0.000 0.243 742 V C 0.863 176.965 176.094 0.014 0.000 1.042 742 V CA 1.093 63.404 62.300 0.017 0.000 1.000 742 V CB -0.239 31.595 31.823 0.018 0.000 0.637 742 V HN 0.651 nan 8.190 nan 0.000 0.446 743 K N -0.280 120.128 120.400 0.013 0.000 2.545 743 K HA 0.628 4.948 4.320 0.000 0.000 0.252 743 K C -1.365 175.241 176.600 0.010 0.000 0.948 743 K CA -0.454 55.839 56.287 0.011 0.000 0.827 743 K CB 2.304 34.810 32.500 0.011 0.000 1.128 743 K HN 0.253 nan 8.250 nan 0.000 0.429 744 V N 3.229 123.148 119.914 0.010 0.000 3.096 744 V HA 0.271 4.391 4.120 0.000 0.000 0.319 744 V C 0.543 176.642 176.094 0.008 0.000 1.082 744 V CA -0.342 61.963 62.300 0.009 0.000 1.022 744 V CB 1.828 33.657 31.823 0.010 0.000 1.103 744 V HN 0.966 nan 8.190 nan 0.000 0.455 745 N N 1.472 120.177 118.700 0.008 0.000 1.972 745 N HA 0.292 5.032 4.740 0.000 0.000 0.237 745 N C 0.646 176.159 175.510 0.006 0.000 1.170 745 N CA 0.824 53.878 53.050 0.006 0.000 0.986 745 N CB -0.497 37.993 38.487 0.006 0.000 1.289 745 N HN 0.843 nan 8.380 nan 0.000 0.449 746 G N -0.300 108.504 108.800 0.005 0.000 2.684 746 G HA2 0.404 4.364 3.960 0.000 0.000 0.255 746 G HA3 0.404 4.364 3.960 0.000 0.000 0.255 746 G C -1.002 173.901 174.900 0.006 0.000 1.219 746 G CA -0.125 44.977 45.100 0.005 0.000 0.901 746 G HN 0.474 nan 8.290 nan 0.000 0.548 747 L N -1.022 120.204 121.223 0.005 0.000 2.591 747 L HA 0.389 4.729 4.340 0.000 0.000 0.257 747 L C -1.429 175.444 176.870 0.004 0.000 0.935 747 L CA -0.895 53.948 54.840 0.006 0.000 0.873 747 L CB 2.138 44.199 42.059 0.003 0.000 1.397 747 L HN 0.417 nan 8.230 nan 0.000 0.414 748 Q N 1.634 121.438 119.800 0.007 0.000 2.377 748 Q HA 0.298 4.638 4.340 0.000 0.000 0.271 748 Q C -1.020 174.983 176.000 0.004 0.000 1.077 748 Q CA -0.552 55.255 55.803 0.006 0.000 0.820 748 Q CB 1.983 30.727 28.738 0.010 0.000 1.347 748 Q HN 0.708 nan 8.270 nan 0.000 0.444 749 D N 0.847 121.247 120.400 -0.001 0.000 2.730 749 D HA -0.116 4.524 4.640 0.000 0.000 0.227 749 D C -0.131 176.157 176.300 -0.021 0.000 1.196 749 D CA 1.684 55.679 54.000 -0.007 0.000 0.620 749 D CB -0.725 40.076 40.800 0.002 0.000 1.012 749 D HN 0.721 nan 8.370 nan 0.000 0.411 750 G N -1.187 107.598 108.800 -0.025 0.000 2.691 750 G HA2 0.510 4.470 3.960 0.000 0.000 0.298 750 G HA3 0.510 4.470 3.960 0.000 0.000 0.298 750 G C -0.498 174.381 174.900 -0.034 0.000 1.471 750 G CA -0.338 44.736 45.100 -0.042 0.000 0.912 750 G HN 0.322 nan 8.290 nan 0.000 0.553 751 S N 0.180 115.853 115.700 -0.045 0.000 2.646 751 S HA 0.786 5.256 4.470 0.000 0.000 0.276 751 S C 0.012 174.596 174.600 -0.026 0.000 1.222 751 S CA -0.594 57.586 58.200 -0.033 0.000 1.014 751 S CB 1.731 64.908 63.200 -0.038 0.000 0.991 751 S HN 1.040 nan 8.310 nan 0.000 0.533 752 Q N 0.103 119.893 119.800 -0.016 0.000 2.496 752 Q HA 0.881 5.221 4.340 0.000 0.000 0.286 752 Q C -1.158 174.838 176.000 -0.007 0.000 1.103 752 Q CA -1.586 54.212 55.803 -0.009 0.000 0.813 752 Q CB 2.010 30.746 28.738 -0.002 0.000 1.444 752 Q HN 1.075 nan 8.270 nan 0.000 0.443 753 A N 0.487 123.306 122.820 -0.001 0.000 2.597 753 A HA 0.460 4.780 4.320 0.000 0.000 0.292 753 A C -1.405 176.184 177.584 0.008 0.000 1.057 753 A CA -0.853 51.185 52.037 0.002 0.000 0.674 753 A CB 1.452 20.452 19.000 -0.001 0.000 1.278 753 A HN 0.763 nan 8.150 nan 0.000 0.416 754 E N 0.166 120.372 120.200 0.011 0.000 2.359 754 E HA 0.687 5.037 4.350 0.000 0.000 0.255 754 E C -0.101 176.513 176.600 0.023 0.000 1.191 754 E CA 0.202 56.611 56.400 0.016 0.000 0.952 754 E CB 1.198 30.908 29.700 0.017 0.000 1.152 754 E HN 1.095 nan 8.360 nan 0.000 0.496 755 S N -1.275 114.442 115.700 0.029 0.000 2.678 755 S HA -0.014 4.457 4.470 0.000 0.000 0.290 755 S C -0.018 174.609 174.600 0.046 0.000 1.047 755 S CA -0.869 57.356 58.200 0.040 0.000 0.851 755 S CB 0.626 63.855 63.200 0.049 0.000 1.058 755 S HN 0.703 nan 8.310 nan 0.000 0.451 756 E N 0.530 120.762 120.200 0.054 0.000 2.533 756 E HA -0.058 4.292 4.350 0.000 0.000 0.201 756 E C 0.839 177.480 176.600 0.069 0.000 1.097 756 E CA 0.675 57.110 56.400 0.058 0.000 0.887 756 E CB -0.336 29.401 29.700 0.061 0.000 0.855 756 E HN 0.699 nan 8.360 nan 0.000 0.540 757 Q N 0.169 120.013 119.800 0.073 0.000 2.245 757 Q HA 0.267 4.607 4.340 0.000 0.000 0.236 757 Q C 0.354 176.385 176.000 0.051 0.000 0.842 757 Q CA 0.329 56.179 55.803 0.079 0.000 0.945 757 Q CB 1.850 30.656 28.738 0.113 0.000 1.122 757 Q HN 0.327 nan 8.270 nan 0.000 0.506 758 G N 1.087 109.912 108.800 0.042 0.000 2.333 758 G HA2 0.047 4.007 3.960 0.000 0.000 0.330 758 G HA3 0.047 4.007 3.960 0.000 0.000 0.330 758 G C -1.721 173.191 174.900 0.019 0.000 1.465 758 G CA -1.130 43.983 45.100 0.022 0.000 0.996 758 G HN 0.027 nan 8.290 nan 0.000 0.655 759 L N 0.133 121.363 121.223 0.012 0.000 2.593 759 L HA 0.423 4.763 4.340 0.000 0.000 0.287 759 L C 0.447 177.322 176.870 0.008 0.000 1.243 759 L CA 0.365 55.212 54.840 0.011 0.000 0.890 759 L CB 0.793 42.858 42.059 0.009 0.000 1.134 759 L HN 0.629 nan 8.230 nan 0.000 0.502 760 V N 6.472 126.391 119.914 0.008 0.000 2.293 760 V HA 0.310 4.430 4.120 0.000 0.000 0.275 760 V C -0.060 176.038 176.094 0.006 0.000 1.021 760 V CA -0.750 61.553 62.300 0.005 0.000 0.815 760 V CB 1.199 33.026 31.823 0.007 0.000 1.025 760 V HN 0.551 nan 8.190 nan 0.000 0.448 761 V N 4.351 124.275 119.914 0.016 0.000 2.546 761 V HA 0.431 4.551 4.120 0.000 0.000 0.284 761 V C 0.170 176.256 176.094 -0.013 0.000 1.050 761 V CA -0.601 61.704 62.300 0.009 0.000 0.981 761 V CB 1.720 33.561 31.823 0.029 0.000 0.990 761 V HN 0.794 nan 8.190 nan 0.000 0.474 762 K N 7.865 128.229 120.400 -0.060 0.000 2.339 762 K HA 0.495 4.815 4.320 0.000 0.000 0.264 762 K C -2.451 174.028 176.600 -0.202 0.000 0.986 762 K CA -2.272 53.933 56.287 -0.136 0.000 0.866 762 K CB 1.596 34.029 32.500 -0.112 0.000 1.103 762 K HN 0.357 nan 8.250 nan 0.000 0.441 763 P HA 0.053 nan 4.420 nan 0.000 0.274 763 P C -1.403 175.723 177.300 -0.290 0.000 1.260 763 P CA -0.007 62.854 63.100 -0.399 0.000 0.793 763 P CB 0.380 31.535 31.700 -0.910 0.000 1.048 764 Q N -1.463 118.230 119.800 -0.178 0.000 3.439 764 Q HA 0.420 4.760 4.340 0.000 0.000 0.168 764 Q C -0.583 175.392 176.000 -0.042 0.000 0.875 764 Q CA -0.396 55.342 55.803 -0.108 0.000 1.344 764 Q CB -1.000 27.682 28.738 -0.094 0.000 1.442 764 Q HN 0.828 nan 8.270 nan 0.000 0.648 765 G N 2.506 111.303 108.800 -0.006 0.000 2.929 765 G HA2 -0.190 3.771 3.960 0.000 0.000 0.335 765 G HA3 -0.190 3.771 3.960 0.000 0.000 0.335 765 G C -0.383 174.546 174.900 0.049 0.000 1.054 765 G CA -0.347 44.769 45.100 0.026 0.000 1.067 765 G HN 0.571 nan 8.290 nan 0.000 0.472 766 N N 0.599 119.355 118.700 0.093 0.000 2.149 766 N HA 0.291 5.031 4.740 0.000 0.000 0.215 766 N C 1.631 177.185 175.510 0.073 0.000 1.357 766 N CA 1.869 54.990 53.050 0.118 0.000 0.869 766 N CB 0.064 38.637 38.487 0.144 0.000 1.063 766 N HN 2.094 nan 8.380 nan 0.000 0.439 767 A N -1.259 121.603 122.820 0.069 0.000 3.250 767 A HA -0.204 4.116 4.320 0.000 0.000 0.256 767 A C 0.491 178.100 177.584 0.041 0.000 1.231 767 A CA 0.444 52.506 52.037 0.043 0.000 1.193 767 A CB -2.174 16.846 19.000 0.032 0.000 1.149 767 A HN 0.596 nan 8.150 nan 0.000 0.930 768 L N 1.294 122.552 121.223 0.058 0.000 2.653 768 L HA 0.273 4.614 4.340 0.000 0.000 0.288 768 L C 0.172 177.066 176.870 0.040 0.000 1.243 768 L CA 1.468 56.338 54.840 0.049 0.000 0.906 768 L CB 0.403 42.506 42.059 0.074 0.000 1.154 768 L HN 0.482 nan 8.230 nan 0.000 0.498 769 T N 6.753 121.323 114.554 0.027 0.000 2.841 769 T HA 0.602 4.952 4.350 0.000 0.000 0.283 769 T C -0.386 174.325 174.700 0.019 0.000 1.000 769 T CA -0.338 61.775 62.100 0.021 0.000 0.977 769 T CB 1.324 70.201 68.868 0.014 0.000 0.979 769 T HN 0.421 nan 8.240 nan 0.000 0.446 770 I N 3.162 123.743 120.570 0.019 0.000 2.447 770 I HA 0.362 4.532 4.170 0.000 0.000 0.287 770 I C 0.229 176.353 176.117 0.013 0.000 1.023 770 I CA -0.881 60.429 61.300 0.016 0.000 1.083 770 I CB 2.081 40.094 38.000 0.021 0.000 1.245 770 I HN 0.633 nan 8.210 nan 0.000 0.434 771 T N 5.031 119.591 114.554 0.010 0.000 2.756 771 T HA 0.623 4.973 4.350 0.000 0.000 0.290 771 T C 0.278 174.983 174.700 0.009 0.000 0.985 771 T CA -0.725 61.380 62.100 0.009 0.000 0.955 771 T CB 0.805 69.677 68.868 0.006 0.000 0.930 771 T HN 0.307 nan 8.240 nan 0.000 0.451 772 L N 2.048 123.277 121.223 0.010 0.000 2.341 772 L HA 0.439 4.779 4.340 0.000 0.000 0.185 772 L C 1.789 178.664 176.870 0.009 0.000 1.091 772 L CA -0.004 54.842 54.840 0.011 0.000 0.899 772 L CB -0.567 41.499 42.059 0.012 0.000 1.357 772 L HN 1.014 nan 8.230 nan 0.000 0.535 773 H N 0.000 119.076 119.070 0.010 0.000 2.539 773 H HA 0.000 4.556 4.556 0.000 0.000 0.296 773 H CA 0.000 56.053 56.048 0.009 0.000 1.023 773 H CB 0.000 29.768 29.762 0.010 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496