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_D 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 0.000 176.153 176.300 -0.245 0.000 1.140 1 M CA 0.000 55.156 55.300 -0.241 0.000 0.988 1 M CB 0.000 32.372 32.600 -0.380 0.000 1.302 2 K N 4.993 125.265 120.400 -0.212 0.000 2.349 2 K HA 0.338 4.658 4.320 0.000 0.000 0.288 2 K C 0.188 176.640 176.600 -0.247 0.000 1.058 2 K CA 0.179 56.347 56.287 -0.198 0.000 0.953 2 K CB 0.700 33.112 32.500 -0.145 0.000 0.997 2 K HN 0.688 nan 8.250 nan 0.000 0.477 3 I N 0.468 120.867 120.570 -0.285 0.000 3.136 3 I HA -0.114 4.056 4.170 0.000 0.000 0.262 3 I C 1.027 177.002 176.117 -0.238 0.000 1.132 3 I CA 0.243 61.341 61.300 -0.337 0.000 1.450 3 I CB 0.088 37.746 38.000 -0.569 0.000 1.315 3 I HN 0.467 nan 8.210 nan 0.000 0.460 4 S N 0.280 115.854 115.700 -0.210 0.000 2.617 4 S HA 0.188 4.658 4.470 0.000 0.000 0.269 4 S C -0.283 174.249 174.600 -0.113 0.000 1.292 4 S CA -0.494 57.620 58.200 -0.143 0.000 1.010 4 S CB 1.651 64.769 63.200 -0.138 0.000 0.944 4 S HN 0.212 nan 8.310 nan 0.000 0.536 5 D N 0.311 120.664 120.400 -0.079 0.000 2.517 5 D HA 0.490 5.130 4.640 0.000 0.000 0.301 5 D C 0.631 176.901 176.300 -0.050 0.000 1.202 5 D CA 0.752 54.718 54.000 -0.056 0.000 0.910 5 D CB -0.183 40.599 40.800 -0.030 0.000 1.021 5 D HN 1.136 nan 8.370 nan 0.000 0.499 6 G N 2.519 111.268 108.800 -0.085 0.000 2.760 6 G HA2 -0.329 3.631 3.960 0.000 0.000 0.246 6 G HA3 -0.329 3.631 3.960 0.000 0.000 0.246 6 G C 0.776 175.549 174.900 -0.212 0.000 1.359 6 G CA -0.079 44.951 45.100 -0.118 0.000 0.861 6 G HN 0.447 nan 8.290 nan 0.000 0.541 7 N N -0.713 117.744 118.700 -0.406 0.000 2.120 7 N HA -0.051 4.689 4.740 0.000 0.000 0.188 7 N C 2.013 177.176 175.510 -0.578 0.000 1.024 7 N CA 2.810 55.467 53.050 -0.654 0.000 0.852 7 N CB -0.203 37.605 38.487 -1.133 0.000 1.003 7 N HN 0.648 nan 8.380 nan 0.000 0.424 8 W N -0.066 121.224 121.300 -0.017 0.000 2.905 8 W HA 0.337 4.997 4.660 0.000 0.000 0.251 8 W C 0.098 176.609 176.519 -0.013 0.000 1.305 8 W CA -0.592 56.746 57.345 -0.013 0.000 1.465 8 W CB 0.125 29.578 29.460 -0.011 0.000 1.122 8 W HN -0.070 nan 8.180 nan 0.000 0.659 9 L N -0.510 120.791 121.223 0.129 0.000 2.250 9 L HA 0.623 4.963 4.340 0.000 0.000 0.252 9 L C -0.303 176.576 176.870 0.015 0.000 1.054 9 L CA -1.371 53.517 54.840 0.079 0.000 0.856 9 L CB 1.763 43.867 42.059 0.074 0.000 1.443 9 L HN -0.325 nan 8.230 nan 0.000 0.427 10 I N -0.156 120.417 120.570 0.005 0.000 2.740 10 I HA 0.277 4.447 4.170 0.000 0.000 0.303 10 I C -0.470 175.622 176.117 -0.041 0.000 1.044 10 I CA -0.982 60.300 61.300 -0.030 0.000 1.064 10 I CB 1.893 39.881 38.000 -0.020 0.000 1.249 10 I HN 0.476 nan 8.210 nan 0.000 0.433 11 Q N 3.965 123.722 119.800 -0.072 0.000 2.315 11 Q HA 0.160 4.500 4.340 0.000 0.000 0.289 11 Q C -2.263 173.706 176.000 -0.052 0.000 1.044 11 Q CA -1.401 54.360 55.803 -0.069 0.000 0.920 11 Q CB 0.018 28.696 28.738 -0.100 0.000 1.214 11 Q HN 0.216 nan 8.270 nan 0.000 0.392 12 P HA -0.025 nan 4.420 nan 0.000 0.264 12 P C 0.575 177.857 177.300 -0.030 0.000 1.183 12 P CA 1.104 64.188 63.100 -0.026 0.000 0.763 12 P CB 0.416 32.104 31.700 -0.021 0.000 0.807 13 G N 1.718 110.504 108.800 -0.022 0.000 2.179 13 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 13 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 13 G C -0.128 174.755 174.900 -0.028 0.000 0.977 13 G CA -0.304 44.784 45.100 -0.021 0.000 0.641 13 G HN 0.455 nan 8.290 nan 0.000 0.533 14 L N 0.843 122.042 121.223 -0.040 0.000 2.295 14 L HA 0.505 4.845 4.340 0.000 0.000 0.285 14 L C -0.581 176.260 176.870 -0.048 0.000 1.035 14 L CA -1.004 53.803 54.840 -0.055 0.000 0.806 14 L CB 1.355 43.362 42.059 -0.088 0.000 1.214 14 L HN -0.011 nan 8.230 nan 0.000 0.426 15 N N 4.726 123.395 118.700 -0.051 0.000 2.417 15 N HA 0.566 5.306 4.740 0.000 0.000 0.274 15 N C -0.931 174.544 175.510 -0.059 0.000 0.987 15 N CA -0.327 52.700 53.050 -0.038 0.000 0.912 15 N CB 2.207 40.683 38.487 -0.018 0.000 1.177 15 N HN 0.417 nan 8.380 nan 0.000 0.490 16 L N 2.692 123.877 121.223 -0.064 0.000 2.334 16 L HA 0.666 5.006 4.340 0.000 0.000 0.276 16 L C 0.128 176.873 176.870 -0.208 0.000 1.014 16 L CA -1.047 53.716 54.840 -0.129 0.000 0.815 16 L CB 1.472 43.456 42.059 -0.125 0.000 1.268 16 L HN 0.444 nan 8.230 nan 0.000 0.428 17 I N -1.372 119.051 120.570 -0.245 0.000 2.619 17 I HA 0.571 4.741 4.170 0.000 0.000 0.292 17 I C -1.155 174.849 176.117 -0.188 0.000 1.100 17 I CA -0.562 60.642 61.300 -0.160 0.000 1.043 17 I CB 2.222 40.230 38.000 0.013 0.000 1.239 17 I HN 0.520 nan 8.210 nan 0.000 0.420 18 H N 4.020 123.162 119.070 0.121 0.000 2.797 18 H HA 0.505 5.061 4.556 0.000 0.000 0.372 18 H C -2.756 172.354 175.328 -0.362 0.000 1.168 18 H CA -2.085 53.831 56.048 -0.221 0.000 1.163 18 H CB 2.360 31.983 29.762 -0.232 0.000 1.778 18 H HN 0.442 nan 8.280 nan 0.000 0.551 19 P HA 0.151 nan 4.420 nan 0.000 0.280 19 P C 0.324 176.962 177.300 -1.103 0.000 1.300 19 P CA -0.088 62.511 63.100 -0.835 0.000 0.785 19 P CB 0.819 31.831 31.700 -1.147 0.000 0.874 20 L N 1.939 122.827 121.223 -0.559 0.000 2.731 20 L HA 0.289 4.629 4.340 0.000 0.000 0.240 20 L C 1.104 177.974 176.870 -0.000 0.000 1.120 20 L CA 0.353 54.993 54.840 -0.333 0.000 0.913 20 L CB 0.286 42.284 42.059 -0.102 0.000 1.213 20 L HN 0.425 nan 8.230 nan 0.000 0.515 21 Q N 0.710 120.555 119.800 0.075 0.000 2.327 21 Q HA 0.305 4.645 4.340 0.000 0.000 0.265 21 Q C -1.490 174.749 176.000 0.399 0.000 0.993 21 Q CA -0.388 55.596 55.803 0.302 0.000 0.885 21 Q CB 2.995 31.830 28.738 0.162 0.000 1.379 21 Q HN -0.141 nan 8.270 nan 0.000 0.408 22 V N 4.886 125.086 119.914 0.478 0.000 2.637 22 V HA 0.083 4.203 4.120 0.000 0.000 0.296 22 V C 0.409 176.701 176.094 0.330 0.000 1.046 22 V CA 0.637 63.193 62.300 0.426 0.000 1.066 22 V CB 0.652 32.642 31.823 0.279 0.000 0.968 22 V HN 0.859 nan 8.190 nan 0.000 0.483 23 F N 2.321 122.407 119.950 0.226 0.000 2.553 23 F HA 0.416 4.944 4.527 0.000 0.000 0.282 23 F C 0.810 176.706 175.800 0.160 0.000 1.089 23 F CA 0.436 58.536 58.000 0.167 0.000 1.411 23 F CB 0.643 39.738 39.000 0.159 0.000 1.125 23 F HN 0.570 nan 8.300 nan 0.000 0.610 24 E N 0.480 120.827 120.200 0.245 0.000 2.380 24 E HA 0.460 4.810 4.350 0.000 0.000 0.281 24 E C -2.059 174.727 176.600 0.309 0.000 0.999 24 E CA -0.636 55.855 56.400 0.151 0.000 0.800 24 E CB 2.257 32.062 29.700 0.175 0.000 1.228 24 E HN -0.125 nan 8.360 nan 0.000 0.436 25 V N 2.628 122.653 119.914 0.186 0.000 2.680 25 V HA 0.577 4.697 4.120 0.000 0.000 0.309 25 V C -0.500 175.687 176.094 0.155 0.000 1.052 25 V CA -0.579 61.815 62.300 0.158 0.000 0.908 25 V CB 1.857 33.729 31.823 0.081 0.000 1.001 25 V HN 0.695 nan 8.190 nan 0.000 0.431 26 E N 2.354 122.641 120.200 0.145 0.000 2.383 26 E HA 0.491 4.841 4.350 0.000 0.000 0.275 26 E C -1.559 175.102 176.600 0.100 0.000 0.918 26 E CA -0.683 55.800 56.400 0.139 0.000 0.764 26 E CB 2.604 32.434 29.700 0.217 0.000 1.252 26 E HN 0.719 nan 8.360 nan 0.000 0.449 27 Q N 2.489 122.343 119.800 0.090 0.000 2.331 27 Q HA 0.292 4.633 4.340 0.000 0.000 0.267 27 Q C -1.465 174.583 176.000 0.079 0.000 1.006 27 Q CA -0.464 55.391 55.803 0.087 0.000 0.818 27 Q CB 1.472 30.259 28.738 0.080 0.000 1.276 27 Q HN 0.437 nan 8.270 nan 0.000 0.450 28 Q N 4.464 124.310 119.800 0.077 0.000 2.558 28 Q HA 0.246 4.586 4.340 0.000 0.000 0.252 28 Q C -0.858 175.182 176.000 0.066 0.000 1.015 28 Q CA -0.615 55.225 55.803 0.061 0.000 0.720 28 Q CB 1.235 30.000 28.738 0.046 0.000 1.215 28 Q HN 0.817 nan 8.270 nan 0.000 0.500 29 D N 1.790 122.229 120.400 0.065 0.000 3.798 29 D HA -0.216 4.424 4.640 0.000 0.000 0.150 29 D C 0.339 176.700 176.300 0.101 0.000 0.953 29 D CA 1.765 55.806 54.000 0.069 0.000 1.089 29 D CB -0.656 40.179 40.800 0.059 0.000 0.535 29 D HN 0.759 nan 8.370 nan 0.000 0.563 30 N N 2.366 121.140 118.700 0.124 0.000 2.389 30 N HA 0.072 4.812 4.740 0.000 0.000 0.237 30 N C -0.479 175.217 175.510 0.311 0.000 1.148 30 N CA 0.501 53.667 53.050 0.194 0.000 0.854 30 N CB 0.243 38.831 38.487 0.169 0.000 1.115 30 N HN 0.403 nan 8.380 nan 0.000 0.492 31 E N 0.195 120.528 120.200 0.222 0.000 2.317 31 E HA 0.345 4.695 4.350 0.000 0.000 0.270 31 E C -1.184 175.495 176.600 0.131 0.000 0.885 31 E CA -0.701 55.794 56.400 0.159 0.000 0.760 31 E CB 2.596 32.333 29.700 0.062 0.000 1.227 31 E HN 0.114 nan 8.360 nan 0.000 0.434 32 M N 3.057 122.700 119.600 0.072 0.000 2.167 32 M HA 0.364 4.844 4.480 0.000 0.000 0.333 32 M C -1.740 174.631 176.300 0.118 0.000 1.030 32 M CA -0.769 54.598 55.300 0.110 0.000 0.963 32 M CB 1.129 33.807 32.600 0.131 0.000 1.589 32 M HN 0.246 nan 8.290 nan 0.000 0.431 33 V N 5.915 125.860 119.914 0.052 0.000 2.370 33 V HA 0.464 4.584 4.120 0.000 0.000 0.283 33 V C -0.492 175.553 176.094 -0.082 0.000 1.023 33 V CA -0.701 61.566 62.300 -0.055 0.000 0.857 33 V CB 1.542 33.257 31.823 -0.180 0.000 0.985 33 V HN 0.652 nan 8.190 nan 0.000 0.443 34 V N 5.624 125.519 119.914 -0.032 0.000 2.384 34 V HA 0.430 4.550 4.120 0.000 0.000 0.287 34 V C -0.974 175.120 176.094 0.001 0.000 1.020 34 V CA -0.749 61.595 62.300 0.074 0.000 0.850 34 V CB 1.360 33.352 31.823 0.281 0.000 0.987 34 V HN 0.733 nan 8.190 nan 0.000 0.436 35 Y N 3.191 123.661 120.300 0.283 0.000 2.367 35 Y HA 0.691 5.241 4.550 0.000 0.000 0.342 35 Y C 0.544 176.646 175.900 0.338 0.000 0.979 35 Y CA -0.362 57.909 58.100 0.285 0.000 1.161 35 Y CB 1.475 40.114 38.460 0.297 0.000 1.155 35 Y HN 0.708 nan 8.280 nan 0.000 0.503 36 A N 2.423 125.493 122.820 0.417 0.000 2.350 36 A HA 0.909 5.229 4.320 0.000 0.000 0.324 36 A C -0.656 177.076 177.584 0.246 0.000 1.118 36 A CA -0.585 51.642 52.037 0.316 0.000 0.783 36 A CB 0.712 19.769 19.000 0.095 0.000 1.236 36 A HN 0.777 nan 8.150 nan 0.000 0.457 37 A N 2.438 125.367 122.820 0.182 0.000 2.294 37 A HA 0.797 5.117 4.320 0.000 0.000 0.330 37 A C -2.307 175.329 177.584 0.087 0.000 1.133 37 A CA -1.764 50.348 52.037 0.125 0.000 0.836 37 A CB 0.667 19.730 19.000 0.104 0.000 1.190 37 A HN 0.478 nan 8.150 nan 0.000 0.492 38 P HA 0.114 nan 4.420 nan 0.000 0.249 38 P C -0.091 177.222 177.300 0.022 0.000 1.229 38 P CA 0.436 63.587 63.100 0.085 0.000 0.788 38 P CB 0.036 31.797 31.700 0.101 0.000 1.072 39 R N -2.634 117.869 120.500 0.005 0.000 2.787 39 R HA 0.446 4.786 4.340 0.000 0.000 0.269 39 R C -1.576 174.706 176.300 -0.030 0.000 1.044 39 R CA -0.890 55.185 56.100 -0.042 0.000 0.916 39 R CB -0.242 30.000 30.300 -0.096 0.000 1.271 39 R HN -0.368 nan 8.270 nan 0.000 0.451 40 D N 1.105 121.449 120.400 -0.093 0.000 2.358 40 D HA 0.158 4.798 4.640 0.000 0.000 0.258 40 D C 0.371 176.672 176.300 0.001 0.000 1.223 40 D CA -0.185 53.782 54.000 -0.055 0.000 0.886 40 D CB 1.470 42.199 40.800 -0.118 0.000 1.120 40 D HN 0.494 nan 8.370 nan 0.000 0.482 41 V N 1.789 121.777 119.914 0.124 0.000 2.915 41 V HA 0.354 4.474 4.120 0.000 0.000 0.364 41 V C 1.522 177.780 176.094 0.274 0.000 1.354 41 V CA -0.476 61.960 62.300 0.226 0.000 1.213 41 V CB -0.058 31.900 31.823 0.225 0.000 1.268 41 V HN 0.356 nan 8.190 nan 0.000 0.557 42 R N 0.870 121.487 120.500 0.195 0.000 2.092 42 R HA 0.089 4.429 4.340 0.000 0.000 0.231 42 R C 0.510 176.913 176.300 0.172 0.000 1.119 42 R CA 1.068 57.262 56.100 0.156 0.000 0.970 42 R CB 0.137 30.490 30.300 0.090 0.000 0.864 42 R HN 0.663 nan 8.270 nan 0.000 0.440 43 E N 0.416 120.751 120.200 0.224 0.000 2.331 43 E HA 0.088 4.438 4.350 0.000 0.000 0.272 43 E C 0.560 177.266 176.600 0.177 0.000 1.036 43 E CA -0.276 56.247 56.400 0.205 0.000 0.864 43 E CB 0.953 30.826 29.700 0.289 0.000 1.035 43 E HN 0.090 nan 8.360 nan 0.000 0.408 44 R N 1.062 121.618 120.500 0.093 0.000 2.189 44 R HA -0.106 4.234 4.340 0.000 0.000 0.223 44 R C 1.970 178.260 176.300 -0.016 0.000 1.092 44 R CA 0.992 57.126 56.100 0.058 0.000 0.989 44 R CB -0.188 30.131 30.300 0.031 0.000 0.876 44 R HN 0.480 nan 8.270 nan 0.000 0.457 45 T N -0.887 113.602 114.554 -0.108 0.000 2.995 45 T HA -0.094 4.256 4.350 0.000 0.000 0.269 45 T C 0.722 175.167 174.700 -0.426 0.000 1.091 45 T CA 0.814 62.721 62.100 -0.322 0.000 1.128 45 T CB -0.041 68.522 68.868 -0.508 0.000 0.891 45 T HN 0.434 nan 8.240 nan 0.000 0.492 46 W N 0.975 122.284 121.300 0.014 0.000 3.132 46 W HA 0.399 5.059 4.660 0.000 0.000 0.364 46 W C 1.355 177.870 176.519 -0.006 0.000 1.129 46 W CA -0.696 56.654 57.345 0.008 0.000 1.815 46 W CB 0.397 29.868 29.460 0.020 0.000 1.099 46 W HN 0.144 nan 8.180 nan 0.000 0.605 47 Q N 1.483 121.364 119.800 0.135 0.000 2.297 47 Q HA 0.210 4.550 4.340 0.000 0.000 0.265 47 Q C -0.745 175.244 176.000 -0.019 0.000 0.904 47 Q CA 0.086 55.914 55.803 0.042 0.000 0.969 47 Q CB -0.309 28.461 28.738 0.053 0.000 1.115 47 Q HN 0.181 nan 8.270 nan 0.000 0.433 48 L N -5.162 116.068 121.223 0.013 0.000 2.653 48 L HA 0.514 4.854 4.340 0.000 0.000 0.257 48 L C -1.073 175.812 176.870 0.026 0.000 0.969 48 L CA -1.027 53.806 54.840 -0.011 0.000 0.869 48 L CB 1.319 43.358 42.059 -0.034 0.000 1.439 48 L HN -0.142 nan 8.230 nan 0.000 0.414 49 D N -0.108 120.299 120.400 0.012 0.000 2.718 49 D HA -0.132 4.508 4.640 0.000 0.000 0.242 49 D C -0.250 176.084 176.300 0.057 0.000 1.123 49 D CA 1.693 55.713 54.000 0.034 0.000 0.690 49 D CB -0.610 40.218 40.800 0.046 0.000 1.059 49 D HN 1.061 nan 8.370 nan 0.000 0.429 50 T N -0.977 113.594 114.554 0.027 0.000 2.942 50 T HA 0.506 4.856 4.350 0.000 0.000 0.327 50 T C -2.676 172.010 174.700 -0.024 0.000 1.360 50 T CA -1.093 61.018 62.100 0.019 0.000 1.055 50 T CB 1.860 70.749 68.868 0.035 0.000 1.261 50 T HN -0.225 nan 8.240 nan 0.000 0.485 51 P HA 0.588 nan 4.420 nan 0.000 0.276 51 P C -1.301 175.903 177.300 -0.159 0.000 1.252 51 P CA -0.771 62.257 63.100 -0.120 0.000 0.802 51 P CB 0.528 32.107 31.700 -0.201 0.000 1.035 52 L N 1.594 122.689 121.223 -0.212 0.000 2.541 52 L HA 0.407 4.748 4.340 0.000 0.000 0.266 52 L C -1.258 175.547 176.870 -0.108 0.000 0.966 52 L CA -0.690 54.084 54.840 -0.109 0.000 0.871 52 L CB 0.690 42.714 42.059 -0.060 0.000 1.232 52 L HN 0.268 nan 8.230 nan 0.000 0.408 53 F N 2.036 122.010 119.950 0.040 0.000 2.429 53 F HA 0.304 4.831 4.527 0.000 0.000 0.348 53 F C 0.935 176.790 175.800 0.091 0.000 1.109 53 F CA 0.089 58.114 58.000 0.041 0.000 1.232 53 F CB 1.454 40.444 39.000 -0.018 0.000 1.157 53 F HN 0.292 nan 8.300 nan 0.000 0.564 54 T N 5.160 119.860 114.554 0.244 0.000 2.821 54 T HA 0.520 4.870 4.350 0.000 0.000 0.307 54 T C -0.550 174.170 174.700 0.033 0.000 1.034 54 T CA -0.523 61.631 62.100 0.089 0.000 0.953 54 T CB 0.235 69.142 68.868 0.064 0.000 0.968 54 T HN 0.150 nan 8.240 nan 0.000 0.462 55 L N 3.418 124.646 121.223 0.007 0.000 2.295 55 L HA 0.623 4.964 4.340 0.000 0.000 0.285 55 L C 0.403 177.194 176.870 -0.132 0.000 1.035 55 L CA -0.423 54.385 54.840 -0.053 0.000 0.806 55 L CB 1.122 43.226 42.059 0.075 0.000 1.214 55 L HN 0.425 nan 8.230 nan 0.000 0.426 56 R N 2.830 123.164 120.500 -0.277 0.000 2.513 56 R HA 0.594 4.934 4.340 0.000 0.000 0.301 56 R C -1.692 174.424 176.300 -0.307 0.000 0.968 56 R CA -0.453 55.531 56.100 -0.194 0.000 0.872 56 R CB 0.918 31.107 30.300 -0.185 0.000 1.177 56 R HN 0.408 nan 8.270 nan 0.000 0.444 57 F N 5.923 125.774 119.950 -0.166 0.000 2.436 57 F HA 0.549 5.076 4.527 0.000 0.000 0.340 57 F C -0.237 175.193 175.800 -0.616 0.000 1.113 57 F CA -0.599 57.157 58.000 -0.407 0.000 1.022 57 F CB 1.310 39.936 39.000 -0.624 0.000 1.128 57 F HN 0.442 nan 8.300 nan 0.000 0.466 58 F N -0.329 119.240 119.950 -0.633 0.000 2.789 58 F HA 0.755 5.282 4.527 0.000 0.000 0.319 58 F C -1.051 174.774 175.800 0.042 0.000 1.168 58 F CA -1.885 55.901 58.000 -0.357 0.000 0.934 58 F CB 1.443 40.376 39.000 -0.111 0.000 1.375 58 F HN 0.228 nan 8.300 nan 0.000 0.480 59 S N 1.481 117.321 115.700 0.233 0.000 2.779 59 S HA 0.517 4.987 4.470 0.000 0.000 0.293 59 S C -2.261 172.395 174.600 0.093 0.000 1.150 59 S CA -1.254 57.021 58.200 0.124 0.000 1.057 59 S CB 1.525 64.882 63.200 0.262 0.000 1.021 59 S HN 0.597 nan 8.310 nan 0.000 0.485 60 P HA 0.102 nan 4.420 nan 0.000 0.224 60 P C -0.338 176.895 177.300 -0.111 0.000 1.157 60 P CA 0.689 63.772 63.100 -0.028 0.000 0.799 60 P CB 0.317 31.939 31.700 -0.130 0.000 0.809 61 Q N -0.803 118.864 119.800 -0.221 0.000 2.511 61 Q HA 0.211 4.551 4.340 0.000 0.000 0.289 61 Q C -0.488 175.434 176.000 -0.131 0.000 1.021 61 Q CA -0.710 54.989 55.803 -0.174 0.000 0.785 61 Q CB 1.627 30.213 28.738 -0.253 0.000 1.472 61 Q HN -0.009 nan 8.270 nan 0.000 0.411 62 E N 0.276 120.422 120.200 -0.090 0.000 2.415 62 E HA 0.188 4.538 4.350 0.000 0.000 0.260 62 E C 0.498 177.051 176.600 -0.077 0.000 1.016 62 E CA 1.373 57.731 56.400 -0.070 0.000 0.924 62 E CB 0.119 29.785 29.700 -0.057 0.000 0.961 62 E HN 0.815 nan 8.360 nan 0.000 0.459 63 G N 4.358 113.120 108.800 -0.062 0.000 2.176 63 G HA2 -0.226 3.734 3.960 0.000 0.000 0.232 63 G HA3 -0.226 3.734 3.960 0.000 0.000 0.232 63 G C 0.308 175.179 174.900 -0.049 0.000 0.986 63 G CA 0.147 45.219 45.100 -0.046 0.000 0.643 63 G HN 0.522 nan 8.290 nan 0.000 0.522 64 I N 1.286 121.799 120.570 -0.094 0.000 2.389 64 I HA 0.504 4.674 4.170 0.000 0.000 0.288 64 I C -0.196 175.896 176.117 -0.041 0.000 0.999 64 I CA -1.089 60.135 61.300 -0.126 0.000 1.129 64 I CB 2.120 39.881 38.000 -0.398 0.000 1.288 64 I HN -0.132 nan 8.210 nan 0.000 0.444 65 V N 5.612 125.553 119.914 0.044 0.000 2.334 65 V HA 0.450 4.570 4.120 0.000 0.000 0.281 65 V C 0.675 176.723 176.094 -0.075 0.000 1.016 65 V CA -0.490 61.868 62.300 0.098 0.000 0.832 65 V CB 1.441 33.435 31.823 0.286 0.000 0.999 65 V HN 0.884 nan 8.190 nan 0.000 0.439 66 G N 3.877 112.418 108.800 -0.431 0.000 2.415 66 G HA2 0.536 4.496 3.960 0.000 0.000 0.269 66 G HA3 0.536 4.496 3.960 0.000 0.000 0.269 66 G C -0.819 173.571 174.900 -0.849 0.000 1.209 66 G CA -0.243 44.234 45.100 -1.038 0.000 0.835 66 G HN 0.558 nan 8.290 nan 0.000 0.534 67 V N 2.698 122.124 119.914 -0.814 0.000 2.483 67 V HA 0.517 4.637 4.120 0.000 0.000 0.297 67 V C 0.031 175.813 176.094 -0.520 0.000 1.027 67 V CA -0.874 60.960 62.300 -0.776 0.000 0.855 67 V CB 1.578 32.811 31.823 -0.983 0.000 0.995 67 V HN 0.832 nan 8.190 nan 0.000 0.424 68 R N 5.292 125.607 120.500 -0.309 0.000 2.388 68 R HA 0.648 4.988 4.340 0.000 0.000 0.314 68 R C -1.356 174.896 176.300 -0.079 0.000 0.959 68 R CA -0.510 55.535 56.100 -0.092 0.000 0.851 68 R CB 1.498 31.762 30.300 -0.060 0.000 1.168 68 R HN 0.824 nan 8.270 nan 0.000 0.472 69 I N 4.650 125.257 120.570 0.061 0.000 2.362 69 I HA 0.361 4.531 4.170 0.000 0.000 0.289 69 I C -0.890 175.369 176.117 0.236 0.000 0.994 69 I CA -0.364 61.001 61.300 0.108 0.000 1.158 69 I CB 1.143 39.196 38.000 0.088 0.000 1.315 69 I HN 0.778 nan 8.210 nan 0.000 0.451 70 E N 6.096 126.433 120.200 0.229 0.000 2.343 70 E HA 0.311 4.661 4.350 0.000 0.000 0.270 70 E C -0.935 175.787 176.600 0.203 0.000 0.895 70 E CA -0.770 55.783 56.400 0.257 0.000 0.767 70 E CB 2.329 32.144 29.700 0.192 0.000 1.248 70 E HN 0.741 nan 8.360 nan 0.000 0.440 71 H N 1.657 120.700 119.070 -0.045 0.000 2.560 71 H HA 0.198 4.754 4.556 0.000 0.000 0.324 71 H C -0.339 174.861 175.328 -0.212 0.000 1.329 71 H CA -0.254 55.540 56.048 -0.422 0.000 2.007 71 H CB 0.249 29.465 29.762 -0.909 0.000 1.551 71 H HN 0.375 nan 8.280 nan 0.000 0.623 72 F N 1.809 121.555 119.950 -0.340 0.000 2.427 72 F HA 0.176 4.703 4.527 0.000 0.000 0.352 72 F C 1.226 176.981 175.800 -0.075 0.000 1.100 72 F CA -0.232 57.599 58.000 -0.282 0.000 1.191 72 F CB 1.278 40.118 39.000 -0.266 0.000 1.128 72 F HN 0.408 nan 8.300 nan 0.000 0.533 73 Q N 1.624 121.499 119.800 0.126 0.000 2.319 73 Q HA 0.134 4.474 4.340 0.000 0.000 0.202 73 Q C 1.884 177.909 176.000 0.042 0.000 0.896 73 Q CA 0.338 56.180 55.803 0.064 0.000 0.942 73 Q CB 0.433 29.180 28.738 0.015 0.000 1.083 73 Q HN 1.015 nan 8.270 nan 0.000 0.510 74 G N 1.030 109.851 108.800 0.034 0.000 2.572 74 G HA2 0.122 4.082 3.960 0.000 0.000 0.216 74 G HA3 0.122 4.082 3.960 0.000 0.000 0.216 74 G C 0.687 175.606 174.900 0.032 0.000 1.133 74 G CA 0.369 45.464 45.100 -0.009 0.000 0.791 74 G HN 0.377 nan 8.290 nan 0.000 0.538 75 A N -0.187 122.690 122.820 0.095 0.000 2.475 75 A HA 0.375 4.695 4.320 0.000 0.000 0.239 75 A C 1.582 179.224 177.584 0.095 0.000 1.087 75 A CA -0.171 51.935 52.037 0.115 0.000 0.779 75 A CB 0.286 19.393 19.000 0.179 0.000 1.036 75 A HN 0.210 nan 8.150 nan 0.000 0.506 76 L N 0.361 121.640 121.223 0.094 0.000 2.056 76 L HA -0.153 4.187 4.340 0.000 0.000 0.207 76 L C 0.593 177.528 176.870 0.107 0.000 1.078 76 L CA 1.374 56.264 54.840 0.083 0.000 0.749 76 L CB -0.726 41.378 42.059 0.075 0.000 0.901 76 L HN 0.921 nan 8.230 nan 0.000 0.433 77 N N 1.398 120.190 118.700 0.153 0.000 2.629 77 N HA -0.182 4.559 4.740 0.000 0.000 0.278 77 N C -0.659 174.960 175.510 0.182 0.000 1.102 77 N CA -0.132 53.044 53.050 0.210 0.000 0.759 77 N CB -0.980 37.643 38.487 0.228 0.000 0.911 77 N HN 0.387 nan 8.380 nan 0.000 0.553 78 N N 0.218 118.995 118.700 0.129 0.000 2.463 78 N HA 0.342 5.082 4.740 0.000 0.000 0.270 78 N C 1.107 176.589 175.510 -0.047 0.000 1.205 78 N CA -0.019 53.071 53.050 0.066 0.000 0.974 78 N CB 0.767 39.278 38.487 0.041 0.000 1.197 78 N HN 0.358 nan 8.380 nan 0.000 0.504 79 G N 0.395 109.068 108.800 -0.212 0.000 2.570 79 G HA2 0.222 4.182 3.960 0.000 0.000 0.276 79 G HA3 0.222 4.182 3.960 0.000 0.000 0.276 79 G C -2.309 172.355 174.900 -0.394 0.000 1.346 79 G CA -0.526 44.179 45.100 -0.659 0.000 1.034 79 G HN 0.341 nan 8.290 nan 0.000 0.512 80 P HA 0.224 nan 4.420 nan 0.000 0.276 80 P C -1.027 175.786 177.300 -0.812 0.000 1.252 80 P CA -0.079 62.660 63.100 -0.601 0.000 0.802 80 P CB 1.082 32.462 31.700 -0.534 0.000 1.035 81 H N -0.566 118.291 119.070 -0.355 0.000 2.690 81 H HA 0.282 4.838 4.556 0.000 0.000 0.368 81 H C 0.106 175.244 175.328 -0.317 0.000 1.150 81 H CA -0.369 55.491 56.048 -0.313 0.000 1.174 81 H CB 0.318 29.994 29.762 -0.144 0.000 1.684 81 H HN 0.335 nan 8.280 nan 0.000 0.538 82 Y N 2.070 122.306 120.300 -0.107 0.000 2.757 82 Y HA -0.020 4.530 4.550 0.000 0.000 0.344 82 Y C -1.354 174.410 175.900 -0.226 0.000 1.263 82 Y CA -1.322 56.663 58.100 -0.191 0.000 1.493 82 Y CB -0.107 38.262 38.460 -0.152 0.000 1.342 82 Y HN 0.370 nan 8.280 nan 0.000 0.627 83 P HA 0.097 nan 4.420 nan 0.000 0.225 83 P C -0.947 176.188 177.300 -0.274 0.000 1.813 83 P CA -0.066 62.917 63.100 -0.196 0.000 1.013 83 P CB -0.207 31.319 31.700 -0.290 0.000 1.961 84 L N 2.403 123.462 121.223 -0.274 0.000 2.380 84 L HA 0.205 4.545 4.340 0.000 0.000 0.273 84 L C 0.955 177.680 176.870 -0.241 0.000 1.138 84 L CA 0.324 54.883 54.840 -0.467 0.000 0.832 84 L CB -0.137 41.632 42.059 -0.483 0.000 1.124 84 L HN 0.109 nan 8.230 nan 0.000 0.454 85 N N 5.076 123.642 118.700 -0.224 0.000 2.415 85 N HA 0.308 5.048 4.740 0.000 0.000 0.246 85 N C -0.597 174.976 175.510 0.105 0.000 1.078 85 N CA 0.025 53.051 53.050 -0.039 0.000 0.942 85 N CB 0.866 39.327 38.487 -0.044 0.000 1.140 85 N HN 0.431 nan 8.380 nan 0.000 0.501 86 I N 3.216 123.840 120.570 0.089 0.000 2.362 86 I HA 0.319 4.489 4.170 0.000 0.000 0.289 86 I C 0.036 176.206 176.117 0.088 0.000 0.994 86 I CA -0.661 60.720 61.300 0.134 0.000 1.158 86 I CB 1.400 39.496 38.000 0.159 0.000 1.315 86 I HN 0.127 nan 8.210 nan 0.000 0.451 87 L N 5.796 127.067 121.223 0.081 0.000 2.334 87 L HA 0.366 4.706 4.340 0.000 0.000 0.275 87 L C 0.852 177.771 176.870 0.082 0.000 1.036 87 L CA -0.456 54.420 54.840 0.060 0.000 0.807 87 L CB 1.332 43.413 42.059 0.036 0.000 1.231 87 L HN 0.562 nan 8.230 nan 0.000 0.438 88 Q N 0.810 120.651 119.800 0.067 0.000 2.246 88 Q HA 0.047 4.387 4.340 0.000 0.000 0.222 88 Q C -0.241 175.800 176.000 0.069 0.000 0.851 88 Q CA 0.247 56.095 55.803 0.076 0.000 0.945 88 Q CB 0.635 29.407 28.738 0.057 0.000 1.122 88 Q HN 0.715 nan 8.270 nan 0.000 0.508 89 D N -0.360 120.072 120.400 0.052 0.000 2.892 89 D HA 0.100 4.740 4.640 0.000 0.000 0.291 89 D C -0.142 176.178 176.300 0.034 0.000 1.341 89 D CA -0.418 53.606 54.000 0.041 0.000 0.844 89 D CB 0.104 40.920 40.800 0.027 0.000 1.093 89 D HN -0.263 nan 8.370 nan 0.000 0.480 90 V N 0.862 120.804 119.914 0.047 0.000 2.498 90 V HA 0.088 4.208 4.120 0.000 0.000 0.279 90 V C 0.779 176.884 176.094 0.018 0.000 1.048 90 V CA -0.759 61.559 62.300 0.029 0.000 0.967 90 V CB 1.389 33.236 31.823 0.040 0.000 0.988 90 V HN 0.193 nan 8.190 nan 0.000 0.473 91 K N 4.793 125.186 120.400 -0.011 0.000 2.412 91 K HA 0.412 4.732 4.320 0.000 0.000 0.284 91 K C -0.597 175.960 176.600 -0.073 0.000 1.046 91 K CA -0.148 56.120 56.287 -0.032 0.000 0.999 91 K CB 0.555 33.032 32.500 -0.038 0.000 0.941 91 K HN 0.645 nan 8.250 nan 0.000 0.474 92 V N 0.191 120.046 119.914 -0.100 0.000 3.159 92 V HA 0.579 4.699 4.120 0.000 0.000 0.308 92 V C -0.772 175.185 176.094 -0.230 0.000 1.190 92 V CA -0.865 61.293 62.300 -0.237 0.000 1.037 92 V CB 2.046 33.656 31.823 -0.355 0.000 1.060 92 V HN 0.646 nan 8.190 nan 0.000 0.437 93 T N 2.933 117.288 114.554 -0.332 0.000 2.824 93 T HA 0.736 5.086 4.350 0.000 0.000 0.282 93 T C -0.631 173.919 174.700 -0.251 0.000 0.993 93 T CA -0.130 61.837 62.100 -0.223 0.000 0.967 93 T CB 1.084 69.847 68.868 -0.174 0.000 0.960 93 T HN 0.668 nan 8.240 nan 0.000 0.441 94 I N 2.894 123.399 120.570 -0.108 0.000 2.410 94 I HA 0.387 4.557 4.170 0.000 0.000 0.286 94 I C -0.041 176.063 176.117 -0.021 0.000 1.009 94 I CA -0.622 60.664 61.300 -0.024 0.000 1.111 94 I CB 1.760 39.817 38.000 0.094 0.000 1.262 94 I HN 0.552 nan 8.210 nan 0.000 0.443 95 E N 6.126 126.307 120.200 -0.032 0.000 2.176 95 E HA 0.324 4.674 4.350 0.000 0.000 0.267 95 E C -1.159 175.433 176.600 -0.013 0.000 0.893 95 E CA -0.662 55.722 56.400 -0.027 0.000 0.761 95 E CB 1.465 31.138 29.700 -0.045 0.000 1.133 95 E HN 0.471 nan 8.360 nan 0.000 0.409 96 N N 3.529 122.229 118.700 -0.001 0.000 2.682 96 N HA 0.171 4.911 4.740 0.000 0.000 0.252 96 N C -1.193 174.319 175.510 0.003 0.000 1.081 96 N CA -0.251 52.801 53.050 0.004 0.000 0.844 96 N CB 1.284 39.779 38.487 0.014 0.000 1.167 96 N HN 0.579 nan 8.380 nan 0.000 0.523 97 T N -0.605 113.954 114.554 0.008 0.000 2.889 97 T HA 0.351 4.701 4.350 0.000 0.000 0.278 97 T C 1.097 175.784 174.700 -0.022 0.000 0.995 97 T CA -0.326 61.775 62.100 0.001 0.000 0.966 97 T CB 1.337 70.217 68.868 0.020 0.000 1.237 97 T HN 0.201 nan 8.240 nan 0.000 0.591 98 E N -0.126 120.051 120.200 -0.037 0.000 2.110 98 E HA -0.067 4.283 4.350 0.000 0.000 0.193 98 E C 2.180 178.711 176.600 -0.115 0.000 0.988 98 E CA 1.296 57.658 56.400 -0.063 0.000 0.804 98 E CB -0.054 29.612 29.700 -0.056 0.000 0.745 98 E HN 0.642 nan 8.360 nan 0.000 0.458 99 R N -1.872 118.528 120.500 -0.166 0.000 2.206 99 R HA 0.120 4.460 4.340 0.000 0.000 0.198 99 R C -0.232 175.712 176.300 -0.593 0.000 0.986 99 R CA 0.372 56.235 56.100 -0.395 0.000 1.029 99 R CB 0.371 30.387 30.300 -0.474 0.000 0.966 99 R HN 0.121 nan 8.270 nan 0.000 0.487 100 Y N -1.706 118.549 120.300 -0.074 0.000 2.655 100 Y HA 0.615 5.165 4.550 0.000 0.000 0.336 100 Y C -0.862 174.971 175.900 -0.112 0.000 1.154 100 Y CA -1.313 56.720 58.100 -0.111 0.000 1.055 100 Y CB 2.040 40.426 38.460 -0.123 0.000 1.295 100 Y HN -0.101 nan 8.280 nan 0.000 0.465 101 A N 1.153 124.002 122.820 0.048 0.000 2.374 101 A HA 0.722 5.042 4.320 0.000 0.000 0.305 101 A C -1.462 176.038 177.584 -0.140 0.000 1.053 101 A CA -0.559 51.447 52.037 -0.053 0.000 0.726 101 A CB 1.785 20.734 19.000 -0.085 0.000 1.229 101 A HN 0.715 nan 8.150 nan 0.000 0.431 102 E N 1.506 121.627 120.200 -0.131 0.000 2.308 102 E HA 0.580 4.930 4.350 0.000 0.000 0.275 102 E C -2.135 174.403 176.600 -0.103 0.000 0.890 102 E CA -0.479 55.814 56.400 -0.178 0.000 0.754 102 E CB 1.683 31.278 29.700 -0.174 0.000 1.207 102 E HN 0.556 nan 8.360 nan 0.000 0.426 103 F N 3.661 123.444 119.950 -0.280 0.000 2.482 103 F HA 0.533 5.060 4.527 0.000 0.000 0.331 103 F C -1.024 174.710 175.800 -0.110 0.000 1.115 103 F CA -0.526 57.371 58.000 -0.172 0.000 0.955 103 F CB 1.265 40.160 39.000 -0.175 0.000 1.136 103 F HN 0.309 nan 8.300 nan 0.000 0.452 104 K N 3.918 123.886 120.400 -0.720 0.000 2.427 104 K HA 0.615 4.935 4.320 0.000 0.000 0.252 104 K C -1.657 174.631 176.600 -0.520 0.000 0.931 104 K CA -0.643 55.374 56.287 -0.450 0.000 0.793 104 K CB 1.878 34.215 32.500 -0.273 0.000 1.211 104 K HN 0.595 nan 8.250 nan 0.000 0.426 105 S N 2.649 118.191 115.700 -0.263 0.000 2.672 105 S HA 0.646 5.116 4.470 0.000 0.000 0.291 105 S C 0.090 174.632 174.600 -0.096 0.000 1.145 105 S CA 0.489 58.587 58.200 -0.170 0.000 1.013 105 S CB 0.942 64.104 63.200 -0.063 0.000 1.017 105 S HN 1.076 nan 8.310 nan 0.000 0.487 106 G N 5.086 113.832 108.800 -0.090 0.000 2.583 106 G HA2 -0.320 3.640 3.960 0.000 0.000 0.292 106 G HA3 -0.320 3.640 3.960 0.000 0.000 0.292 106 G C 0.355 175.217 174.900 -0.063 0.000 1.203 106 G CA 0.616 45.676 45.100 -0.065 0.000 0.987 106 G HN 0.805 nan 8.290 nan 0.000 0.554 107 N N -0.065 118.608 118.700 -0.044 0.000 2.270 107 N HA 0.342 5.082 4.740 0.000 0.000 0.198 107 N C 0.150 175.641 175.510 -0.031 0.000 1.117 107 N CA -0.251 52.775 53.050 -0.040 0.000 0.845 107 N CB 0.542 39.012 38.487 -0.028 0.000 0.980 107 N HN 0.391 nan 8.380 nan 0.000 0.486 108 L N 1.212 122.421 121.223 -0.023 0.000 2.317 108 L HA 0.472 4.813 4.340 0.000 0.000 0.281 108 L C -0.301 176.572 176.870 0.004 0.000 1.024 108 L CA -0.479 54.367 54.840 0.010 0.000 0.810 108 L CB 1.427 43.511 42.059 0.043 0.000 1.240 108 L HN -0.062 nan 8.230 nan 0.000 0.427 109 S N 3.496 119.207 115.700 0.018 0.000 2.588 109 S HA 0.963 5.433 4.470 0.000 0.000 0.275 109 S C -0.881 173.723 174.600 0.006 0.000 1.130 109 S CA -0.401 57.793 58.200 -0.010 0.000 0.855 109 S CB 1.567 64.704 63.200 -0.105 0.000 1.116 109 S HN 1.060 nan 8.310 nan 0.000 0.472 110 A N 1.584 124.389 122.820 -0.026 0.000 2.318 110 A HA 0.845 5.165 4.320 0.000 0.000 0.324 110 A C -0.181 177.160 177.584 -0.405 0.000 1.170 110 A CA -0.818 51.067 52.037 -0.253 0.000 0.810 110 A CB 0.931 19.882 19.000 -0.083 0.000 1.198 110 A HN 0.872 nan 8.150 nan 0.000 0.484 111 R N 2.489 122.700 120.500 -0.481 0.000 2.502 111 R HA 0.576 4.916 4.340 0.000 0.000 0.300 111 R C -1.946 174.100 176.300 -0.424 0.000 0.984 111 R CA -0.336 55.508 56.100 -0.427 0.000 0.882 111 R CB 1.756 31.808 30.300 -0.412 0.000 1.180 111 R HN 0.502 nan 8.270 nan 0.000 0.444 112 V N 3.126 122.809 119.914 -0.384 0.000 2.398 112 V HA 0.314 4.434 4.120 0.000 0.000 0.286 112 V C -0.059 175.909 176.094 -0.210 0.000 1.026 112 V CA -0.644 61.397 62.300 -0.431 0.000 0.868 112 V CB 1.809 33.342 31.823 -0.483 0.000 0.982 112 V HN 0.774 nan 8.190 nan 0.000 0.443 113 S N 5.060 120.621 115.700 -0.233 0.000 2.499 113 S HA 0.362 4.832 4.470 0.000 0.000 0.275 113 S C 0.125 174.638 174.600 -0.145 0.000 1.257 113 S CA -0.649 57.521 58.200 -0.051 0.000 1.050 113 S CB 0.493 63.701 63.200 0.013 0.000 0.937 113 S HN 0.632 nan 8.310 nan 0.000 0.490 114 K N 1.572 121.886 120.400 -0.144 0.000 2.117 114 K HA 0.638 4.958 4.320 0.000 0.000 0.240 114 K C 0.952 177.513 176.600 -0.065 0.000 1.031 114 K CA -0.128 56.115 56.287 -0.073 0.000 0.909 114 K CB 0.333 32.782 32.500 -0.086 0.000 1.097 114 K HN 0.848 nan 8.250 nan 0.000 0.492 115 G N 0.613 109.396 108.800 -0.029 0.000 2.660 115 G HA2 -0.292 3.668 3.960 0.000 0.000 0.215 115 G HA3 -0.292 3.668 3.960 0.000 0.000 0.215 115 G C 0.505 175.359 174.900 -0.077 0.000 1.345 115 G CA 0.249 45.313 45.100 -0.060 0.000 0.877 115 G HN 0.763 nan 8.290 nan 0.000 0.549 116 E N -0.844 119.215 120.200 -0.235 0.000 2.268 116 E HA 0.018 4.368 4.350 0.000 0.000 0.195 116 E C 0.190 176.469 176.600 -0.535 0.000 0.995 116 E CA 0.763 56.893 56.400 -0.451 0.000 0.836 116 E CB -0.086 29.167 29.700 -0.745 0.000 0.763 116 E HN 0.311 nan 8.360 nan 0.000 0.491 117 F N 1.119 121.104 119.950 0.060 0.000 2.359 117 F HA 0.210 4.737 4.527 0.000 0.000 0.370 117 F C -0.056 175.808 175.800 0.107 0.000 1.077 117 F CA -1.158 56.890 58.000 0.079 0.000 1.136 117 F CB 0.237 39.258 39.000 0.035 0.000 1.387 117 F HN 0.059 nan 8.300 nan 0.000 0.468 118 W N 3.376 124.753 121.300 0.128 0.000 2.193 118 W HA 0.403 5.063 4.660 0.000 0.000 0.338 118 W C -0.644 175.928 176.519 0.088 0.000 1.310 118 W CA 0.354 57.750 57.345 0.084 0.000 1.243 118 W CB 1.344 30.834 29.460 0.049 0.000 1.165 118 W HN 0.449 nan 8.180 nan 0.000 0.566 119 S N 6.621 121.931 115.700 -0.649 0.000 2.548 119 S HA 0.462 4.932 4.470 0.000 0.000 0.278 119 S C -1.894 172.350 174.600 -0.593 0.000 1.150 119 S CA -0.829 57.136 58.200 -0.392 0.000 0.907 119 S CB 0.836 63.963 63.200 -0.121 0.000 1.108 119 S HN 0.557 nan 8.310 nan 0.000 0.459 120 L N 4.167 125.186 121.223 -0.340 0.000 2.319 120 L HA 0.668 5.008 4.340 0.000 0.000 0.281 120 L C -1.483 175.211 176.870 -0.293 0.000 1.005 120 L CA -0.357 54.290 54.840 -0.322 0.000 0.828 120 L CB 1.094 43.111 42.059 -0.070 0.000 1.227 120 L HN 0.679 nan 8.230 nan 0.000 0.415 121 D N 4.396 124.538 120.400 -0.431 0.000 2.619 121 D HA 0.390 5.030 4.640 0.000 0.000 0.241 121 D C -1.183 174.784 176.300 -0.555 0.000 1.087 121 D CA -0.060 53.724 54.000 -0.360 0.000 0.851 121 D CB 2.359 43.014 40.800 -0.241 0.000 1.474 121 D HN 0.157 nan 8.370 nan 0.000 0.478 122 F N 1.171 121.079 119.950 -0.069 0.000 2.427 122 F HA 0.459 4.986 4.527 0.000 0.000 0.346 122 F C 0.206 175.939 175.800 -0.111 0.000 1.120 122 F CA -0.643 57.312 58.000 -0.076 0.000 1.033 122 F CB 1.191 40.142 39.000 -0.081 0.000 1.126 122 F HN -0.031 nan 8.300 nan 0.000 0.462 123 L N 3.550 124.783 121.223 0.017 0.000 2.354 123 L HA 0.619 4.959 4.340 0.000 0.000 0.269 123 L C -0.326 176.535 176.870 -0.014 0.000 1.005 123 L CA -0.969 53.852 54.840 -0.031 0.000 0.819 123 L CB 2.356 44.359 42.059 -0.094 0.000 1.311 123 L HN 0.499 nan 8.230 nan 0.000 0.423 124 R N 2.184 122.673 120.500 -0.018 0.000 2.275 124 R HA 0.296 4.636 4.340 0.000 0.000 0.326 124 R C -0.553 175.732 176.300 -0.025 0.000 0.973 124 R CA -0.418 55.676 56.100 -0.011 0.000 0.854 124 R CB 0.475 30.779 30.300 0.007 0.000 1.156 124 R HN 0.789 nan 8.270 nan 0.000 0.487 125 N N 2.684 121.362 118.700 -0.036 0.000 2.688 125 N HA -0.248 4.492 4.740 0.000 0.000 0.258 125 N C 0.647 176.126 175.510 -0.051 0.000 1.016 125 N CA 0.700 53.724 53.050 -0.043 0.000 0.747 125 N CB -0.629 37.838 38.487 -0.032 0.000 0.895 125 N HN 1.086 nan 8.380 nan 0.000 0.543 126 G N -0.964 107.795 108.800 -0.068 0.000 2.220 126 G HA2 -0.374 3.586 3.960 0.000 0.000 0.269 126 G HA3 -0.374 3.586 3.960 0.000 0.000 0.269 126 G C -0.101 174.754 174.900 -0.074 0.000 0.977 126 G CA 0.788 45.839 45.100 -0.083 0.000 0.634 126 G HN 0.584 nan 8.290 nan 0.000 0.539 127 E N 0.149 120.317 120.200 -0.052 0.000 2.175 127 E HA 0.404 4.754 4.350 0.000 0.000 0.278 127 E C 0.365 176.943 176.600 -0.038 0.000 0.969 127 E CA -0.861 55.515 56.400 -0.040 0.000 0.796 127 E CB 1.054 30.741 29.700 -0.021 0.000 1.104 127 E HN 0.284 nan 8.360 nan 0.000 0.395 128 R N 4.467 124.943 120.500 -0.039 0.000 2.291 128 R HA 0.069 4.409 4.340 0.000 0.000 0.333 128 R C 1.149 177.441 176.300 -0.015 0.000 1.082 128 R CA 0.060 56.140 56.100 -0.033 0.000 0.948 128 R CB -0.032 30.245 30.300 -0.039 0.000 1.009 128 R HN 0.646 nan 8.270 nan 0.000 0.460 129 I N -0.114 120.436 120.570 -0.034 0.000 2.852 129 I HA 0.190 4.360 4.170 0.000 0.000 0.264 129 I C 0.630 176.671 176.117 -0.127 0.000 1.179 129 I CA 0.081 61.343 61.300 -0.063 0.000 1.480 129 I CB 0.349 38.272 38.000 -0.128 0.000 1.111 129 I HN 0.480 nan 8.210 nan 0.000 0.441 130 T N -1.003 113.489 114.554 -0.104 0.000 2.663 130 T HA 0.638 4.988 4.350 0.000 0.000 0.305 130 T C -0.965 173.850 174.700 0.191 0.000 1.660 130 T CA 0.034 62.126 62.100 -0.015 0.000 0.976 130 T CB 1.228 69.985 68.868 -0.185 0.000 1.705 130 T HN 0.611 nan 8.240 nan 0.000 0.494 131 G N 0.504 109.455 108.800 0.252 0.000 2.340 131 G HA2 0.516 4.476 3.960 0.000 0.000 0.299 131 G HA3 0.516 4.476 3.960 0.000 0.000 0.299 131 G C -1.435 173.607 174.900 0.237 0.000 1.291 131 G CA 0.333 45.633 45.100 0.333 0.000 0.841 131 G HN 1.142 nan 8.290 nan 0.000 0.500 132 S N -0.513 115.305 115.700 0.197 0.000 2.552 132 S HA 0.568 5.038 4.470 0.000 0.000 0.314 132 S C -0.107 174.566 174.600 0.122 0.000 1.099 132 S CA -0.396 57.891 58.200 0.145 0.000 1.070 132 S CB 1.045 64.356 63.200 0.185 0.000 0.998 132 S HN 0.587 nan 8.310 nan 0.000 0.474 133 Q N 1.932 121.783 119.800 0.085 0.000 2.318 133 Q HA 0.350 4.690 4.340 0.000 0.000 0.222 133 Q C 0.065 176.149 176.000 0.139 0.000 1.003 133 Q CA -0.703 55.158 55.803 0.096 0.000 0.936 133 Q CB 0.912 29.678 28.738 0.046 0.000 1.204 133 Q HN 0.597 nan 8.270 nan 0.000 0.524 134 V N 2.126 122.159 119.914 0.199 0.000 2.644 134 V HA -0.131 3.989 4.120 0.000 0.000 0.305 134 V C 0.273 176.321 176.094 -0.077 0.000 1.053 134 V CA 1.180 63.586 62.300 0.176 0.000 1.186 134 V CB -0.515 31.437 31.823 0.215 0.000 0.895 134 V HN 0.820 nan 8.190 nan 0.000 0.490 135 K N 3.344 123.573 120.400 -0.284 0.000 3.467 135 K HA -0.147 4.173 4.320 0.000 0.000 0.309 135 K C 0.453 176.762 176.600 -0.485 0.000 1.350 135 K CA 1.025 56.879 56.287 -0.722 0.000 0.934 135 K CB -1.202 30.928 32.500 -0.617 0.000 1.312 135 K HN 0.802 nan 8.250 nan 0.000 0.461 136 N N 1.185 119.752 118.700 -0.221 0.000 2.251 136 N HA 0.029 4.769 4.740 0.000 0.000 0.217 136 N C -0.493 174.823 175.510 -0.324 0.000 1.124 136 N CA 0.286 53.286 53.050 -0.084 0.000 0.843 136 N CB 0.278 38.742 38.487 -0.037 0.000 1.024 136 N HN 0.502 nan 8.380 nan 0.000 0.501 137 N N -1.198 117.138 118.700 -0.605 0.000 2.934 137 N HA 0.699 5.439 4.740 0.000 0.000 0.253 137 N C 0.083 175.056 175.510 -0.895 0.000 1.466 137 N CA -0.362 52.029 53.050 -1.099 0.000 0.858 137 N CB 1.240 39.407 38.487 -0.534 0.000 1.459 137 N HN -0.014 nan 8.380 nan 0.000 0.532 138 G N -1.694 106.600 108.800 -0.844 0.000 2.278 138 G HA2 0.160 4.120 3.960 0.000 0.000 0.265 138 G HA3 0.160 4.120 3.960 0.000 0.000 0.265 138 G C -2.341 172.617 174.900 0.095 0.000 1.329 138 G CA -0.781 44.070 45.100 -0.414 0.000 1.017 138 G HN 0.750 nan 8.290 nan 0.000 0.472 139 Y N 0.114 120.514 120.300 0.166 0.000 2.360 139 Y HA 0.670 5.220 4.550 0.000 0.000 0.337 139 Y C 0.018 175.968 175.900 0.083 0.000 1.039 139 Y CA -0.861 57.299 58.100 0.101 0.000 1.109 139 Y CB 2.074 40.436 38.460 -0.164 0.000 1.201 139 Y HN 0.525 nan 8.280 nan 0.000 0.458 140 V N 6.242 126.008 119.914 -0.247 0.000 2.409 140 V HA 0.337 4.457 4.120 0.000 0.000 0.291 140 V C -0.725 175.082 176.094 -0.479 0.000 1.020 140 V CA -0.895 61.267 62.300 -0.229 0.000 0.848 140 V CB 1.492 33.282 31.823 -0.055 0.000 0.990 140 V HN 0.737 nan 8.190 nan 0.000 0.430 141 Q N 3.002 122.606 119.800 -0.326 0.000 2.425 141 Q HA 0.244 4.584 4.340 0.000 0.000 0.254 141 Q C -0.898 175.036 176.000 -0.110 0.000 1.032 141 Q CA -0.535 55.107 55.803 -0.267 0.000 0.798 141 Q CB 1.023 29.681 28.738 -0.134 0.000 1.210 141 Q HN 0.785 nan 8.270 nan 0.000 0.491 142 D N 2.689 123.050 120.400 -0.065 0.000 2.344 142 D HA 0.044 4.684 4.640 0.000 0.000 0.253 142 D C 0.390 176.681 176.300 -0.015 0.000 1.255 142 D CA 0.245 54.247 54.000 0.004 0.000 0.894 142 D CB 1.367 42.239 40.800 0.120 0.000 1.067 142 D HN 0.491 nan 8.370 nan 0.000 0.492 143 T N 3.079 117.624 114.554 -0.015 0.000 3.035 143 T HA -0.053 4.297 4.350 0.000 0.000 0.268 143 T C 1.475 176.172 174.700 -0.005 0.000 1.109 143 T CA 0.562 62.657 62.100 -0.009 0.000 1.119 143 T CB 0.127 68.990 68.868 -0.007 0.000 0.900 143 T HN 0.428 nan 8.240 nan 0.000 0.503 144 N N 2.258 120.956 118.700 -0.004 0.000 2.376 144 N HA -0.024 4.716 4.740 0.000 0.000 0.177 144 N C 1.119 176.630 175.510 0.001 0.000 1.024 144 N CA 0.918 53.966 53.050 -0.002 0.000 0.893 144 N CB -0.034 38.449 38.487 -0.005 0.000 0.980 144 N HN 0.604 nan 8.380 nan 0.000 0.439 145 N N -0.190 118.513 118.700 0.004 0.000 2.184 145 N HA 0.009 4.750 4.740 0.000 0.000 0.234 145 N C -0.487 175.016 175.510 -0.012 0.000 1.282 145 N CA -0.042 53.009 53.050 0.002 0.000 0.877 145 N CB 0.288 38.784 38.487 0.014 0.000 1.184 145 N HN -0.254 nan 8.380 nan 0.000 0.510 146 Q N -0.918 118.872 119.800 -0.018 0.000 2.468 146 Q HA -0.252 4.088 4.340 0.000 0.000 0.256 146 Q C -0.789 175.168 176.000 -0.071 0.000 0.984 146 Q CA 1.048 56.833 55.803 -0.029 0.000 1.110 146 Q CB -2.378 26.353 28.738 -0.012 0.000 1.527 146 Q HN 0.674 nan 8.270 nan 0.000 0.535 147 R N 0.851 121.281 120.500 -0.117 0.000 2.540 147 R HA 0.535 4.875 4.340 0.000 0.000 0.287 147 R C 0.076 176.099 176.300 -0.462 0.000 0.980 147 R CA -0.699 55.228 56.100 -0.287 0.000 0.966 147 R CB 0.888 30.992 30.300 -0.326 0.000 1.106 147 R HN 0.052 nan 8.270 nan 0.000 0.480 148 N N 1.960 120.296 118.700 -0.606 0.000 2.284 148 N HA 0.336 5.076 4.740 0.000 0.000 0.300 148 N C -1.335 173.702 175.510 -0.789 0.000 1.047 148 N CA -0.410 52.258 53.050 -0.637 0.000 0.821 148 N CB 1.775 40.045 38.487 -0.361 0.000 1.337 148 N HN 0.397 nan 8.380 nan 0.000 0.482 149 Y N 0.206 120.298 120.300 -0.347 0.000 2.570 149 Y HA 0.552 5.102 4.550 0.000 0.000 0.345 149 Y C 0.186 176.031 175.900 -0.092 0.000 1.014 149 Y CA -1.066 56.925 58.100 -0.182 0.000 1.063 149 Y CB 1.647 40.017 38.460 -0.151 0.000 1.272 149 Y HN 0.143 nan 8.280 nan 0.000 0.477 150 M N 3.037 122.757 119.600 0.200 0.000 2.456 150 M HA 0.473 4.953 4.480 0.000 0.000 0.324 150 M C -1.195 175.242 176.300 0.228 0.000 1.124 150 M CA -0.827 54.608 55.300 0.225 0.000 0.959 150 M CB 1.507 34.204 32.600 0.162 0.000 1.692 150 M HN 0.733 nan 8.290 nan 0.000 0.444 151 F N 0.411 120.349 119.950 -0.020 0.000 2.626 151 F HA 0.887 5.414 4.527 0.000 0.000 0.311 151 F C -1.196 174.472 175.800 -0.220 0.000 1.088 151 F CA -0.940 56.977 58.000 -0.138 0.000 0.949 151 F CB 1.603 40.506 39.000 -0.162 0.000 1.322 151 F HN 0.539 nan 8.300 nan 0.000 0.461 152 E N 0.992 120.853 120.200 -0.564 0.000 2.356 152 E HA 0.582 4.932 4.350 0.000 0.000 0.275 152 E C -1.808 174.342 176.600 -0.749 0.000 0.904 152 E CA -0.748 55.184 56.400 -0.780 0.000 0.757 152 E CB 2.060 31.191 29.700 -0.949 0.000 1.232 152 E HN 0.743 nan 8.360 nan 0.000 0.442 153 R N 3.479 123.725 120.500 -0.424 0.000 2.467 153 R HA 0.428 4.768 4.340 0.000 0.000 0.299 153 R C -0.732 175.501 176.300 -0.112 0.000 1.120 153 R CA -0.534 55.428 56.100 -0.230 0.000 0.940 153 R CB 0.872 31.134 30.300 -0.063 0.000 1.161 153 R HN 0.415 nan 8.270 nan 0.000 0.506 154 L N 3.017 124.210 121.223 -0.050 0.000 2.276 154 L HA 0.277 4.617 4.340 0.000 0.000 0.286 154 L C 0.285 177.225 176.870 0.116 0.000 1.061 154 L CA -0.690 54.210 54.840 0.099 0.000 0.807 154 L CB 0.842 43.029 42.059 0.213 0.000 1.177 154 L HN 0.392 nan 8.230 nan 0.000 0.429 155 D N 3.586 124.052 120.400 0.110 0.000 2.378 155 D HA 0.321 4.961 4.640 0.000 0.000 0.238 155 D C -0.217 176.158 176.300 0.125 0.000 1.180 155 D CA 0.345 54.398 54.000 0.088 0.000 0.895 155 D CB 1.417 42.259 40.800 0.070 0.000 1.192 155 D HN 0.251 nan 8.370 nan 0.000 0.438 156 L N 0.676 121.950 121.223 0.084 0.000 2.386 156 L HA 0.484 4.824 4.340 0.000 0.000 0.271 156 L C 0.867 177.773 176.870 0.058 0.000 0.993 156 L CA -0.776 54.116 54.840 0.086 0.000 0.819 156 L CB 2.173 44.251 42.059 0.032 0.000 1.294 156 L HN 0.321 nan 8.230 nan 0.000 0.414 157 G N 1.383 110.225 108.800 0.069 0.000 2.535 157 G HA2 0.493 4.453 3.960 0.000 0.000 0.303 157 G HA3 0.493 4.453 3.960 0.000 0.000 0.303 157 G C -0.281 174.636 174.900 0.028 0.000 1.237 157 G CA -0.623 44.504 45.100 0.046 0.000 0.986 157 G HN 0.282 nan 8.290 nan 0.000 0.494 158 V N 0.729 120.655 119.914 0.020 0.000 2.617 158 V HA 0.328 4.448 4.120 0.000 0.000 0.304 158 V C 1.762 177.866 176.094 0.017 0.000 1.040 158 V CA 1.759 64.068 62.300 0.014 0.000 1.149 158 V CB 0.428 32.258 31.823 0.012 0.000 0.914 158 V HN 1.828 nan 8.190 nan 0.000 0.487 159 G N 3.293 112.102 108.800 0.015 0.000 2.175 159 G HA2 -0.298 3.662 3.960 0.000 0.000 0.265 159 G HA3 -0.298 3.662 3.960 0.000 0.000 0.265 159 G C 0.211 175.107 174.900 -0.006 0.000 0.979 159 G CA 0.544 45.653 45.100 0.015 0.000 0.663 159 G HN 0.838 nan 8.290 nan 0.000 0.533 160 E N 1.324 121.521 120.200 -0.005 0.000 2.289 160 E HA 0.505 4.855 4.350 0.000 0.000 0.278 160 E C 0.621 177.173 176.600 -0.081 0.000 1.032 160 E CA 0.285 56.675 56.400 -0.017 0.000 0.854 160 E CB 0.439 30.154 29.700 0.026 0.000 1.046 160 E HN 0.386 nan 8.360 nan 0.000 0.409 161 T N 0.247 114.722 114.554 -0.131 0.000 2.887 161 T HA 0.560 4.910 4.350 0.000 0.000 0.288 161 T C -0.350 174.126 174.700 -0.373 0.000 1.021 161 T CA -0.921 60.995 62.100 -0.306 0.000 1.000 161 T CB 1.518 70.104 68.868 -0.469 0.000 1.034 161 T HN 0.142 nan 8.240 nan 0.000 0.467 162 V N 2.543 122.134 119.914 -0.538 0.000 2.630 162 V HA 0.634 4.754 4.120 0.000 0.000 0.305 162 V C -1.127 174.531 176.094 -0.728 0.000 1.046 162 V CA -0.818 61.204 62.300 -0.463 0.000 0.934 162 V CB 0.880 32.462 31.823 -0.402 0.000 1.003 162 V HN 0.959 nan 8.190 nan 0.000 0.451 163 Y N 0.901 121.074 120.300 -0.212 0.000 2.638 163 Y HA 0.847 5.397 4.550 0.000 0.000 0.339 163 Y C 0.778 176.541 175.900 -0.228 0.000 1.084 163 Y CA 0.196 58.172 58.100 -0.207 0.000 1.068 163 Y CB 2.126 40.475 38.460 -0.186 0.000 1.294 163 Y HN 1.009 nan 8.280 nan 0.000 0.480 164 G N -0.024 108.752 108.800 -0.040 0.000 2.475 164 G HA2 -0.159 3.801 3.960 0.000 0.000 0.223 164 G HA3 -0.159 3.801 3.960 0.000 0.000 0.223 164 G C -0.273 174.526 174.900 -0.168 0.000 1.201 164 G CA -0.292 44.745 45.100 -0.105 0.000 0.962 164 G HN 1.252 nan 8.290 nan 0.000 0.586 165 L N -0.287 120.834 121.223 -0.170 0.000 4.140 165 L HA 0.042 4.382 4.340 0.000 0.000 0.406 165 L C 1.402 178.198 176.870 -0.124 0.000 1.175 165 L CA 1.369 56.083 54.840 -0.210 0.000 0.939 165 L CB -1.753 40.090 42.059 -0.360 0.000 2.105 165 L HN 2.951 nan 8.230 nan 0.000 0.803 166 G N 0.105 108.853 108.800 -0.087 0.000 2.610 166 G HA2 -0.194 3.766 3.960 0.000 0.000 0.304 166 G HA3 -0.194 3.766 3.960 0.000 0.000 0.304 166 G C -0.422 174.340 174.900 -0.230 0.000 1.309 166 G CA 0.072 45.103 45.100 -0.115 0.000 0.906 166 G HN 0.396 nan 8.290 nan 0.000 0.521 167 E N 0.809 120.833 120.200 -0.293 0.000 2.003 167 E HA 0.423 4.773 4.350 0.000 0.000 0.279 167 E C 0.591 176.820 176.600 -0.618 0.000 1.132 167 E CA -0.171 55.975 56.400 -0.423 0.000 0.888 167 E CB 0.060 29.577 29.700 -0.304 0.000 1.056 167 E HN 0.491 nan 8.360 nan 0.000 0.399 168 R N 3.305 123.391 120.500 -0.690 0.000 2.854 168 R HA 0.365 4.705 4.340 0.000 0.000 0.271 168 R C -0.273 175.480 176.300 -0.912 0.000 0.996 168 R CA -0.728 54.930 56.100 -0.737 0.000 0.961 168 R CB 0.838 30.935 30.300 -0.339 0.000 1.182 168 R HN 0.489 nan 8.270 nan 0.000 0.479 169 F N -0.545 119.383 119.950 -0.036 0.000 2.706 169 F HA 0.095 4.622 4.527 0.000 0.000 0.313 169 F C 1.191 176.979 175.800 -0.019 0.000 1.096 169 F CA -0.458 57.531 58.000 -0.018 0.000 1.219 169 F CB 0.311 39.321 39.000 0.017 0.000 1.051 169 F HN 0.455 nan 8.300 nan 0.000 0.568 170 T N -0.813 113.768 114.554 0.045 0.000 2.729 170 T HA 0.603 4.953 4.350 0.000 0.000 0.298 170 T C 0.736 175.428 174.700 -0.013 0.000 1.013 170 T CA -0.561 61.551 62.100 0.022 0.000 0.957 170 T CB 0.671 69.530 68.868 -0.014 0.000 1.130 170 T HN 0.179 nan 8.240 nan 0.000 0.526 171 A N 0.440 123.247 122.820 -0.021 0.000 2.565 171 A HA 0.226 4.546 4.320 0.000 0.000 0.237 171 A C 1.434 178.988 177.584 -0.049 0.000 1.053 171 A CA -0.449 51.572 52.037 -0.026 0.000 0.755 171 A CB -0.611 18.374 19.000 -0.024 0.000 0.980 171 A HN 0.954 nan 8.150 nan 0.000 0.506 172 L N 3.832 125.037 121.223 -0.030 0.000 2.013 172 L HA -0.112 4.228 4.340 0.000 0.000 0.212 172 L C 1.041 177.847 176.870 -0.107 0.000 1.073 172 L CA 1.874 56.694 54.840 -0.033 0.000 0.753 172 L CB -0.331 41.749 42.059 0.035 0.000 0.890 172 L HN 0.473 nan 8.230 nan 0.000 0.432 173 V N 2.088 121.915 119.914 -0.144 0.000 2.389 173 V HA 0.105 4.225 4.120 0.000 0.000 0.264 173 V C 1.346 177.285 176.094 -0.258 0.000 1.049 173 V CA -0.372 61.708 62.300 -0.366 0.000 0.932 173 V CB 0.828 32.478 31.823 -0.287 0.000 1.011 173 V HN 0.345 nan 8.190 nan 0.000 0.475 174 R N 2.686 122.989 120.500 -0.327 0.000 2.285 174 R HA -0.042 4.298 4.340 0.000 0.000 0.213 174 R C 0.312 176.490 176.300 -0.203 0.000 1.068 174 R CA 0.140 56.092 56.100 -0.247 0.000 1.004 174 R CB -0.466 29.659 30.300 -0.292 0.000 0.873 174 R HN 0.628 nan 8.270 nan 0.000 0.467 175 N N 0.804 119.378 118.700 -0.209 0.000 2.365 175 N HA 0.054 4.794 4.740 0.000 0.000 0.265 175 N C 1.076 176.529 175.510 -0.095 0.000 1.288 175 N CA 1.488 54.451 53.050 -0.145 0.000 0.869 175 N CB 0.324 38.743 38.487 -0.113 0.000 1.071 175 N HN 0.369 nan 8.380 nan 0.000 0.480 176 G N 0.843 109.591 108.800 -0.087 0.000 2.195 176 G HA2 -0.235 3.725 3.960 0.000 0.000 0.224 176 G HA3 -0.235 3.725 3.960 0.000 0.000 0.224 176 G C -0.226 174.636 174.900 -0.063 0.000 0.990 176 G CA 0.204 45.263 45.100 -0.067 0.000 0.639 176 G HN 0.718 nan 8.290 nan 0.000 0.514 177 Q N 0.016 119.772 119.800 -0.073 0.000 2.351 177 Q HA 0.719 5.059 4.340 0.000 0.000 0.273 177 Q C -0.442 175.531 176.000 -0.045 0.000 1.077 177 Q CA -0.318 55.451 55.803 -0.057 0.000 0.843 177 Q CB 2.019 30.720 28.738 -0.060 0.000 1.367 177 Q HN 0.476 nan 8.270 nan 0.000 0.449 178 T N -0.582 113.958 114.554 -0.023 0.000 2.867 178 T HA 0.575 4.925 4.350 0.000 0.000 0.282 178 T C -0.765 173.949 174.700 0.023 0.000 1.000 178 T CA -0.528 61.576 62.100 0.007 0.000 1.042 178 T CB 1.427 70.293 68.868 -0.002 0.000 0.973 178 T HN 0.715 nan 8.240 nan 0.000 0.465 179 V N 2.936 122.895 119.914 0.076 0.000 2.760 179 V HA 0.713 4.833 4.120 0.000 0.000 0.309 179 V C -1.388 174.818 176.094 0.187 0.000 1.077 179 V CA -0.733 61.615 62.300 0.080 0.000 0.910 179 V CB 2.221 34.035 31.823 -0.014 0.000 1.008 179 V HN 0.972 nan 8.190 nan 0.000 0.424 180 E N 3.493 123.790 120.200 0.161 0.000 2.151 180 E HA 0.337 4.687 4.350 0.000 0.000 0.275 180 E C -0.185 176.579 176.600 0.273 0.000 0.936 180 E CA -0.346 56.176 56.400 0.202 0.000 0.777 180 E CB 1.801 31.570 29.700 0.114 0.000 1.108 180 E HN 0.934 nan 8.360 nan 0.000 0.401 181 T N 0.759 115.526 114.554 0.356 0.000 3.455 181 T HA 0.244 4.594 4.350 0.000 0.000 0.286 181 T C -0.230 174.773 174.700 0.505 0.000 1.157 181 T CA -0.696 61.632 62.100 0.380 0.000 1.090 181 T CB -0.260 68.860 68.868 0.420 0.000 1.112 181 T HN 0.409 nan 8.240 nan 0.000 0.779 182 W N 3.887 125.300 121.300 0.187 0.000 2.802 182 W HA 0.294 4.954 4.660 0.000 0.000 0.331 182 W C -1.291 175.397 176.519 0.282 0.000 1.021 182 W CA -1.015 56.449 57.345 0.199 0.000 1.259 182 W CB 1.375 30.873 29.460 0.063 0.000 1.323 182 W HN 0.349 nan 8.180 nan 0.000 0.432 183 N N 4.982 123.833 118.700 0.252 0.000 2.412 183 N HA 0.158 4.898 4.740 0.000 0.000 0.254 183 N C -0.389 175.262 175.510 0.236 0.000 1.232 183 N CA 0.628 53.801 53.050 0.204 0.000 0.880 183 N CB 0.669 39.208 38.487 0.087 0.000 1.076 183 N HN 0.382 nan 8.380 nan 0.000 0.458 184 R N 0.242 120.866 120.500 0.207 0.000 2.707 184 R HA 0.200 4.540 4.340 0.000 0.000 0.272 184 R C -1.247 175.138 176.300 0.142 0.000 1.011 184 R CA -0.783 55.443 56.100 0.209 0.000 0.893 184 R CB 1.572 31.999 30.300 0.211 0.000 1.233 184 R HN 0.375 nan 8.270 nan 0.000 0.464 185 D N 1.281 121.803 120.400 0.203 0.000 2.557 185 D HA 0.187 4.827 4.640 0.000 0.000 0.236 185 D C 0.140 176.486 176.300 0.077 0.000 1.154 185 D CA -0.046 54.084 54.000 0.217 0.000 0.985 185 D CB 0.624 41.629 40.800 0.340 0.000 1.010 185 D HN 0.775 nan 8.370 nan 0.000 0.516 186 G N 1.143 109.863 108.800 -0.134 0.000 3.575 186 G HA2 0.493 4.453 3.960 0.000 0.000 0.273 186 G HA3 0.493 4.453 3.960 0.000 0.000 0.273 186 G C 0.837 175.664 174.900 -0.122 0.000 1.053 186 G CA 0.125 45.187 45.100 -0.065 0.000 0.803 186 G HN 0.765 nan 8.290 nan 0.000 0.528 187 G N 0.128 108.800 108.800 -0.213 0.000 2.642 187 G HA2 0.007 3.967 3.960 0.000 0.000 0.231 187 G HA3 0.007 3.967 3.960 0.000 0.000 0.231 187 G C 0.601 175.310 174.900 -0.319 0.000 1.338 187 G CA 0.676 45.691 45.100 -0.141 0.000 0.883 187 G HN 1.239 nan 8.290 nan 0.000 0.570 188 T N -4.087 110.247 114.554 -0.365 0.000 3.288 188 T HA 0.622 4.972 4.350 0.000 0.000 0.293 188 T C 0.938 175.276 174.700 -0.603 0.000 1.008 188 T CA 0.962 62.467 62.100 -0.991 0.000 0.929 188 T CB 0.450 68.676 68.868 -1.069 0.000 1.152 188 T HN 1.058 nan 8.240 nan 0.000 0.517 189 S N 1.406 117.006 115.700 -0.167 0.000 2.730 189 S HA 0.307 4.777 4.470 0.000 0.000 0.244 189 S C 0.750 175.386 174.600 0.060 0.000 1.022 189 S CA -0.125 58.078 58.200 0.005 0.000 1.014 189 S CB 0.692 63.949 63.200 0.095 0.000 0.963 189 S HN 0.885 nan 8.310 nan 0.000 0.540 190 T N -0.572 114.029 114.554 0.079 0.000 2.693 190 T HA 0.372 4.722 4.350 0.000 0.000 0.278 190 T C 0.635 175.420 174.700 0.141 0.000 0.994 190 T CA -0.596 61.563 62.100 0.097 0.000 1.033 190 T CB 1.185 70.095 68.868 0.070 0.000 1.342 190 T HN -0.040 nan 8.240 nan 0.000 0.538 191 E N 0.158 120.415 120.200 0.096 0.000 2.478 191 E HA -0.043 4.307 4.350 0.000 0.000 0.198 191 E C 0.163 176.813 176.600 0.083 0.000 1.046 191 E CA 0.394 56.841 56.400 0.079 0.000 0.870 191 E CB -0.168 29.563 29.700 0.051 0.000 0.818 191 E HN 0.732 nan 8.360 nan 0.000 0.527 192 Q N 0.385 120.241 119.800 0.094 0.000 2.312 192 Q HA 0.590 4.930 4.340 0.000 0.000 0.236 192 Q C -0.541 175.497 176.000 0.063 0.000 0.965 192 Q CA -0.211 55.640 55.803 0.079 0.000 0.894 192 Q CB 1.543 30.319 28.738 0.062 0.000 1.225 192 Q HN 0.239 nan 8.270 nan 0.000 0.478 193 A N 0.616 123.455 122.820 0.030 0.000 2.539 193 A HA 0.469 4.789 4.320 0.000 0.000 0.296 193 A C -1.106 176.485 177.584 0.012 0.000 1.073 193 A CA -0.674 51.364 52.037 0.001 0.000 0.700 193 A CB 0.541 19.531 19.000 -0.017 0.000 1.296 193 A HN 0.773 nan 8.150 nan 0.000 0.405 194 Y N 0.561 120.951 120.300 0.150 0.000 2.420 194 Y HA 0.126 4.676 4.550 0.000 0.000 0.292 194 Y C 0.679 176.631 175.900 0.087 0.000 1.119 194 Y CA 1.084 59.254 58.100 0.116 0.000 1.229 194 Y CB 0.207 38.725 38.460 0.097 0.000 1.026 194 Y HN 0.484 nan 8.280 nan 0.000 0.554 195 K N 1.708 122.232 120.400 0.207 0.000 2.473 195 K HA 0.250 4.570 4.320 0.000 0.000 0.246 195 K C -1.042 175.578 176.600 0.033 0.000 1.011 195 K CA -0.299 56.032 56.287 0.073 0.000 0.984 195 K CB 0.693 33.138 32.500 -0.092 0.000 1.250 195 K HN 0.078 nan 8.250 nan 0.000 0.454 196 N N 3.744 122.512 118.700 0.113 0.000 2.430 196 N HA 0.433 5.173 4.740 0.000 0.000 0.292 196 N C -0.705 174.902 175.510 0.162 0.000 1.051 196 N CA -0.430 52.698 53.050 0.130 0.000 0.917 196 N CB 1.690 40.302 38.487 0.208 0.000 1.164 196 N HN 0.315 nan 8.380 nan 0.000 0.484 197 I N 2.835 123.485 120.570 0.132 0.000 2.534 197 I HA 0.215 4.385 4.170 0.000 0.000 0.286 197 I C -2.280 173.928 176.117 0.153 0.000 1.094 197 I CA -1.835 59.561 61.300 0.160 0.000 1.055 197 I CB 2.266 40.362 38.000 0.161 0.000 1.225 197 I HN 0.222 nan 8.210 nan 0.000 0.435 198 P HA 0.141 nan 4.420 nan 0.000 0.228 198 P C -0.638 176.844 177.300 0.303 0.000 1.748 198 P CA 0.143 63.458 63.100 0.357 0.000 0.909 198 P CB -0.515 31.512 31.700 0.544 0.000 1.882 199 F N 2.934 122.861 119.950 -0.039 0.000 2.529 199 F HA 0.545 5.072 4.527 0.000 0.000 0.320 199 F C -1.361 174.339 175.800 -0.167 0.000 1.118 199 F CA -1.355 56.553 58.000 -0.154 0.000 0.915 199 F CB 1.499 40.261 39.000 -0.397 0.000 1.161 199 F HN -0.025 nan 8.300 nan 0.000 0.445 200 Y N 5.299 124.909 120.300 -1.149 0.000 2.581 200 Y HA 0.831 5.381 4.550 0.000 0.000 0.345 200 Y C -1.356 173.867 175.900 -1.128 0.000 1.036 200 Y CA -1.846 55.680 58.100 -0.956 0.000 1.042 200 Y CB 1.633 39.765 38.460 -0.547 0.000 1.289 200 Y HN 0.793 nan 8.280 nan 0.000 0.471 201 M N 1.417 120.729 119.600 -0.480 0.000 2.575 201 M HA 0.832 5.312 4.480 0.000 0.000 0.284 201 M C -1.276 174.939 176.300 -0.143 0.000 1.253 201 M CA -0.662 54.387 55.300 -0.419 0.000 0.861 201 M CB 2.575 34.968 32.600 -0.345 0.000 1.733 201 M HN 0.895 nan 8.290 nan 0.000 0.462 202 T N -2.283 112.093 114.554 -0.296 0.000 2.883 202 T HA 0.460 4.810 4.350 0.000 0.000 0.284 202 T C 0.359 175.005 174.700 -0.089 0.000 1.041 202 T CA -0.592 61.414 62.100 -0.155 0.000 1.007 202 T CB 1.025 69.703 68.868 -0.317 0.000 1.220 202 T HN 0.833 nan 8.240 nan 0.000 0.552 203 N N -0.082 118.630 118.700 0.020 0.000 2.421 203 N HA 0.021 4.761 4.740 0.000 0.000 0.201 203 N C 0.718 176.218 175.510 -0.016 0.000 1.198 203 N CA -0.271 52.779 53.050 -0.000 0.000 0.838 203 N CB -0.213 38.300 38.487 0.043 0.000 1.011 203 N HN 0.394 nan 8.380 nan 0.000 0.463 204 R N -0.223 120.256 120.500 -0.036 0.000 2.393 204 R HA 0.240 4.580 4.340 0.000 0.000 0.244 204 R C 0.724 177.082 176.300 0.098 0.000 0.920 204 R CA 0.330 56.469 56.100 0.064 0.000 1.076 204 R CB -0.365 30.055 30.300 0.199 0.000 1.119 204 R HN 0.411 nan 8.270 nan 0.000 0.524 205 G N 1.366 110.163 108.800 -0.004 0.000 2.136 205 G HA2 -0.311 3.649 3.960 0.000 0.000 0.242 205 G HA3 -0.311 3.649 3.960 0.000 0.000 0.242 205 G C -0.268 174.690 174.900 0.096 0.000 0.989 205 G CA 0.750 45.869 45.100 0.032 0.000 0.682 205 G HN 0.473 nan 8.290 nan 0.000 0.522 206 Y N -1.798 118.499 120.300 -0.005 0.000 2.588 206 Y HA 0.806 5.356 4.550 0.000 0.000 0.343 206 Y C 0.249 176.107 175.900 -0.070 0.000 1.065 206 Y CA -1.252 56.837 58.100 -0.019 0.000 1.038 206 Y CB 1.066 39.514 38.460 -0.019 0.000 1.297 206 Y HN 0.678 nan 8.280 nan 0.000 0.467 207 G N 0.242 109.069 108.800 0.044 0.000 2.658 207 G HA2 0.635 4.595 3.960 0.000 0.000 0.292 207 G HA3 0.635 4.595 3.960 0.000 0.000 0.292 207 G C -1.946 172.878 174.900 -0.126 0.000 1.320 207 G CA -0.812 44.159 45.100 -0.216 0.000 0.933 207 G HN 1.490 nan 8.290 nan 0.000 0.476 208 V N 0.052 119.655 119.914 -0.519 0.000 2.777 208 V HA 0.750 4.870 4.120 0.000 0.000 0.306 208 V C -1.810 174.232 176.094 -0.085 0.000 1.112 208 V CA -0.928 61.219 62.300 -0.255 0.000 0.917 208 V CB 1.607 33.202 31.823 -0.382 0.000 1.018 208 V HN 0.919 nan 8.190 nan 0.000 0.426 209 L N 7.425 128.843 121.223 0.325 0.000 2.276 209 L HA 0.696 5.036 4.340 0.000 0.000 0.286 209 L C -0.507 176.601 176.870 0.397 0.000 1.024 209 L CA -0.055 55.062 54.840 0.462 0.000 0.826 209 L CB 1.613 44.055 42.059 0.638 0.000 1.211 209 L HN 0.617 nan 8.230 nan 0.000 0.422 210 V N 4.878 124.952 119.914 0.265 0.000 2.427 210 V HA 0.163 4.283 4.120 0.000 0.000 0.268 210 V C 0.755 177.098 176.094 0.414 0.000 1.046 210 V CA -0.401 62.026 62.300 0.211 0.000 0.970 210 V CB 0.586 32.374 31.823 -0.058 0.000 1.001 210 V HN 0.792 nan 8.190 nan 0.000 0.476 211 N N 4.274 123.198 118.700 0.374 0.000 3.243 211 N HA 0.026 4.766 4.740 0.000 0.000 0.310 211 N C -0.293 175.133 175.510 -0.139 0.000 1.313 211 N CA 0.120 53.361 53.050 0.319 0.000 1.204 211 N CB -0.451 38.276 38.487 0.400 0.000 1.483 211 N HN 0.698 nan 8.380 nan 0.000 0.553 212 H N 0.034 119.263 119.070 0.265 0.000 2.906 212 H HA 0.217 4.773 4.556 0.000 0.000 0.324 212 H C -1.889 173.451 175.328 0.020 0.000 0.973 212 H CA -1.440 54.654 56.048 0.077 0.000 1.321 212 H CB 2.091 31.904 29.762 0.085 0.000 1.535 212 H HN 0.207 nan 8.280 nan 0.000 0.518 213 P HA -0.170 nan 4.420 nan 0.000 0.218 213 P C 1.160 178.583 177.300 0.204 0.000 1.149 213 P CA 1.086 64.075 63.100 -0.185 0.000 0.817 213 P CB 0.481 31.933 31.700 -0.413 0.000 0.785 214 Q N -0.165 119.770 119.800 0.225 0.000 2.677 214 Q HA -0.039 4.301 4.340 0.000 0.000 0.187 214 Q C 0.241 176.487 176.000 0.410 0.000 1.146 214 Q CA -0.052 55.960 55.803 0.349 0.000 1.224 214 Q CB -0.889 27.992 28.738 0.239 0.000 1.268 214 Q HN 0.028 nan 8.270 nan 0.000 0.674 215 C N 1.110 120.627 119.300 0.362 0.000 2.566 215 C HA 0.428 4.888 4.460 0.000 0.000 0.393 215 C C -0.111 174.971 174.990 0.153 0.000 1.309 215 C CA -0.407 58.769 59.018 0.264 0.000 1.801 215 C CB -0.943 26.716 27.740 -0.135 0.000 2.493 215 C HN 0.433 nan 8.230 nan 0.000 0.575 216 V N 6.834 126.879 119.914 0.218 0.000 2.398 216 V HA 0.405 4.525 4.120 0.000 0.000 0.286 216 V C 0.311 176.454 176.094 0.082 0.000 1.026 216 V CA -0.098 62.260 62.300 0.097 0.000 0.868 216 V CB 1.745 33.639 31.823 0.118 0.000 0.982 216 V HN 0.920 nan 8.190 nan 0.000 0.443 217 S N 5.521 121.188 115.700 -0.056 0.000 2.410 217 S HA 0.631 5.101 4.470 0.000 0.000 0.304 217 S C -0.867 173.686 174.600 -0.077 0.000 1.095 217 S CA -0.407 57.782 58.200 -0.019 0.000 1.089 217 S CB -0.199 62.946 63.200 -0.091 0.000 0.968 217 S HN 0.378 nan 8.310 nan 0.000 0.480 218 F N 3.067 123.045 119.950 0.046 0.000 2.420 218 F HA 0.442 4.969 4.527 0.000 0.000 0.342 218 F C 0.838 176.622 175.800 -0.026 0.000 1.113 218 F CA -0.667 57.359 58.000 0.043 0.000 1.059 218 F CB 1.378 40.388 39.000 0.017 0.000 1.128 218 F HN 0.418 nan 8.300 nan 0.000 0.475 219 E N 3.441 123.715 120.200 0.122 0.000 2.376 219 E HA 0.204 4.554 4.350 0.000 0.000 0.236 219 E C -0.853 175.751 176.600 0.007 0.000 0.962 219 E CA -0.312 56.102 56.400 0.023 0.000 0.768 219 E CB 1.513 31.188 29.700 -0.041 0.000 1.236 219 E HN 0.258 nan 8.360 nan 0.000 0.431 220 V N 1.639 121.544 119.914 -0.015 0.000 2.302 220 V HA 0.180 4.300 4.120 0.000 0.000 0.244 220 V C 1.456 177.491 176.094 -0.098 0.000 1.160 220 V CA 0.581 62.824 62.300 -0.095 0.000 1.127 220 V CB -0.144 31.571 31.823 -0.179 0.000 1.253 220 V HN 0.887 nan 8.190 nan 0.000 0.496 221 G N 4.365 113.116 108.800 -0.082 0.000 2.168 221 G HA2 -0.314 3.646 3.960 0.000 0.000 0.257 221 G HA3 -0.314 3.646 3.960 0.000 0.000 0.257 221 G C 0.915 175.775 174.900 -0.068 0.000 0.997 221 G CA 0.772 45.828 45.100 -0.074 0.000 0.708 221 G HN 0.952 nan 8.290 nan 0.000 0.520 222 S N -1.628 114.034 115.700 -0.064 0.000 2.492 222 S HA 0.303 4.773 4.470 0.000 0.000 0.218 222 S C 1.536 176.095 174.600 -0.067 0.000 1.016 222 S CA 1.041 59.205 58.200 -0.061 0.000 0.916 222 S CB 0.517 63.686 63.200 -0.053 0.000 0.791 222 S HN 0.572 nan 8.310 nan 0.000 0.513 223 E N 0.911 121.066 120.200 -0.075 0.000 2.134 223 E HA 0.157 4.507 4.350 0.000 0.000 0.194 223 E C -0.388 176.157 176.600 -0.093 0.000 0.937 223 E CA 0.258 56.604 56.400 -0.091 0.000 0.874 223 E CB 0.439 30.074 29.700 -0.109 0.000 0.853 223 E HN 0.059 nan 8.360 nan 0.000 0.471 224 K N 2.179 122.528 120.400 -0.086 0.000 2.334 224 K HA 0.116 4.436 4.320 0.000 0.000 0.265 224 K C 1.008 177.565 176.600 -0.071 0.000 1.039 224 K CA -0.043 56.193 56.287 -0.084 0.000 0.920 224 K CB 1.653 34.108 32.500 -0.076 0.000 1.160 224 K HN 0.167 nan 8.250 nan 0.000 0.451 225 V N 0.692 120.564 119.914 -0.070 0.000 2.453 225 V HA -0.211 3.909 4.120 0.000 0.000 0.252 225 V C 1.211 177.274 176.094 -0.051 0.000 1.068 225 V CA 2.188 64.452 62.300 -0.060 0.000 1.070 225 V CB -0.609 31.180 31.823 -0.057 0.000 0.664 225 V HN 0.631 nan 8.190 nan 0.000 0.461 226 S N -0.536 115.136 115.700 -0.046 0.000 2.552 226 S HA 0.468 4.938 4.470 0.000 0.000 0.246 226 S C 0.077 174.666 174.600 -0.019 0.000 1.019 226 S CA -0.674 57.508 58.200 -0.030 0.000 1.045 226 S CB -0.528 62.657 63.200 -0.025 0.000 0.784 226 S HN 0.820 nan 8.310 nan 0.000 0.453 227 K N -0.063 120.320 120.400 -0.028 0.000 2.575 227 K HA 0.481 4.801 4.320 0.000 0.000 0.279 227 K C -1.791 174.790 176.600 -0.032 0.000 0.969 227 K CA -0.896 55.383 56.287 -0.015 0.000 0.868 227 K CB 2.196 34.684 32.500 -0.020 0.000 1.457 227 K HN -0.012 nan 8.250 nan 0.000 0.426 228 V N 2.359 122.266 119.914 -0.012 0.000 2.311 228 V HA 0.195 4.315 4.120 0.000 0.000 0.275 228 V C -0.226 175.881 176.094 0.021 0.000 1.022 228 V CA -0.481 61.806 62.300 -0.023 0.000 0.830 228 V CB 1.049 32.800 31.823 -0.120 0.000 1.012 228 V HN 0.638 nan 8.190 nan 0.000 0.452 229 Q N 5.199 124.993 119.800 -0.010 0.000 2.230 229 Q HA 0.674 5.015 4.340 0.000 0.000 0.253 229 Q C -1.473 174.496 176.000 -0.051 0.000 0.919 229 Q CA -0.566 55.171 55.803 -0.111 0.000 0.908 229 Q CB 1.586 30.273 28.738 -0.084 0.000 1.245 229 Q HN 0.701 nan 8.270 nan 0.000 0.437 230 F N 0.191 120.051 119.950 -0.150 0.000 2.581 230 F HA 0.708 5.235 4.527 0.000 0.000 0.311 230 F C -1.171 174.499 175.800 -0.218 0.000 1.113 230 F CA -0.896 56.870 58.000 -0.389 0.000 0.935 230 F CB 1.470 40.004 39.000 -0.776 0.000 1.232 230 F HN 0.444 nan 8.300 nan 0.000 0.445 231 S N 1.929 117.602 115.700 -0.045 0.000 2.569 231 S HA 0.899 5.369 4.470 0.000 0.000 0.280 231 S C -1.649 172.926 174.600 -0.041 0.000 1.111 231 S CA -0.868 57.324 58.200 -0.013 0.000 0.887 231 S CB 1.821 64.965 63.200 -0.093 0.000 1.095 231 S HN 1.461 nan 8.310 nan 0.000 0.476 232 V N 0.472 120.384 119.914 -0.004 0.000 2.932 232 V HA 0.512 4.632 4.120 0.000 0.000 0.307 232 V C -1.075 175.063 176.094 0.073 0.000 1.147 232 V CA -0.694 61.581 62.300 -0.042 0.000 0.951 232 V CB 1.946 33.580 31.823 -0.315 0.000 1.031 232 V HN 1.103 nan 8.190 nan 0.000 0.426 233 E N 3.422 123.679 120.200 0.095 0.000 2.104 233 E HA 0.520 4.870 4.350 0.000 0.000 0.278 233 E C -0.484 176.049 176.600 -0.112 0.000 1.127 233 E CA 0.354 56.712 56.400 -0.070 0.000 0.897 233 E CB 0.605 30.233 29.700 -0.120 0.000 1.043 233 E HN 0.772 nan 8.360 nan 0.000 0.410 234 S N 2.911 118.544 115.700 -0.112 0.000 2.643 234 S HA 0.126 4.596 4.470 0.000 0.000 0.266 234 S C -0.476 174.164 174.600 0.068 0.000 1.130 234 S CA -0.659 57.498 58.200 -0.071 0.000 0.817 234 S CB 1.169 64.210 63.200 -0.267 0.000 1.107 234 S HN 0.503 nan 8.310 nan 0.000 0.471 235 E N 0.342 120.642 120.200 0.167 0.000 2.481 235 E HA 0.248 4.599 4.350 0.000 0.000 0.198 235 E C -0.797 176.013 176.600 0.350 0.000 1.027 235 E CA 0.347 56.927 56.400 0.300 0.000 0.900 235 E CB 0.465 30.352 29.700 0.312 0.000 0.993 235 E HN 0.549 nan 8.360 nan 0.000 0.482 236 Y N -1.780 118.638 120.300 0.197 0.000 2.581 236 Y HA 0.595 5.145 4.550 0.000 0.000 0.337 236 Y C -1.700 174.348 175.900 0.247 0.000 1.108 236 Y CA -1.695 56.526 58.100 0.202 0.000 1.033 236 Y CB 0.879 39.439 38.460 0.167 0.000 1.318 236 Y HN -0.205 nan 8.280 nan 0.000 0.459 237 L N 3.053 124.463 121.223 0.311 0.000 2.376 237 L HA 0.617 4.957 4.340 0.000 0.000 0.275 237 L C -1.265 175.922 176.870 0.529 0.000 0.987 237 L CA -0.564 54.491 54.840 0.359 0.000 0.828 237 L CB 1.911 44.130 42.059 0.266 0.000 1.249 237 L HN 0.892 nan 8.230 nan 0.000 0.409 238 E N 4.487 125.072 120.200 0.641 0.000 2.218 238 E HA 0.495 4.845 4.350 0.000 0.000 0.263 238 E C -1.949 174.765 176.600 0.189 0.000 0.879 238 E CA -0.633 55.923 56.400 0.260 0.000 0.762 238 E CB 1.183 30.999 29.700 0.194 0.000 1.166 238 E HN 0.571 nan 8.360 nan 0.000 0.415 239 Y N 1.749 121.999 120.300 -0.083 0.000 2.570 239 Y HA 0.716 5.266 4.550 0.000 0.000 0.345 239 Y C -1.581 174.109 175.900 -0.350 0.000 1.014 239 Y CA -1.665 56.380 58.100 -0.092 0.000 1.063 239 Y CB 1.023 39.527 38.460 0.073 0.000 1.272 239 Y HN 0.254 nan 8.280 nan 0.000 0.477 240 F N 1.449 121.509 119.950 0.182 0.000 2.460 240 F HA 0.566 5.093 4.527 0.000 0.000 0.341 240 F C -0.669 175.154 175.800 0.039 0.000 1.130 240 F CA -1.210 56.805 58.000 0.026 0.000 0.962 240 F CB 1.959 41.010 39.000 0.086 0.000 1.171 240 F HN 0.336 nan 8.300 nan 0.000 0.436 241 V N 5.340 125.306 119.914 0.087 0.000 2.461 241 V HA 0.305 4.425 4.120 0.000 0.000 0.275 241 V C 0.238 176.370 176.094 0.064 0.000 1.047 241 V CA -0.440 61.854 62.300 -0.011 0.000 0.955 241 V CB 0.969 32.605 31.823 -0.311 0.000 0.988 241 V HN 0.522 nan 8.190 nan 0.000 0.471 242 I N 3.777 124.416 120.570 0.116 0.000 2.362 242 I HA 0.358 4.528 4.170 0.000 0.000 0.289 242 I C -0.220 175.971 176.117 0.124 0.000 0.994 242 I CA -0.455 60.912 61.300 0.112 0.000 1.158 242 I CB 1.771 39.891 38.000 0.199 0.000 1.315 242 I HN 0.570 nan 8.210 nan 0.000 0.451 243 D N 4.096 124.542 120.400 0.076 0.000 2.304 243 D HA 0.424 5.064 4.640 0.000 0.000 0.247 243 D C 0.667 177.008 176.300 0.068 0.000 1.089 243 D CA 0.023 54.073 54.000 0.082 0.000 0.910 243 D CB 1.766 42.592 40.800 0.043 0.000 1.199 243 D HN 0.592 nan 8.370 nan 0.000 0.426 244 G N 1.526 110.371 108.800 0.075 0.000 2.593 244 G HA2 0.102 4.062 3.960 0.000 0.000 0.212 244 G HA3 0.102 4.062 3.960 0.000 0.000 0.212 244 G C -1.245 173.666 174.900 0.018 0.000 1.934 244 G CA -0.050 45.074 45.100 0.041 0.000 0.861 244 G HN 0.621 nan 8.290 nan 0.000 0.629 245 P HA 0.105 nan 4.420 nan 0.000 0.241 245 P C 0.482 177.790 177.300 0.013 0.000 1.191 245 P CA 0.923 64.041 63.100 0.030 0.000 0.771 245 P CB 0.020 31.735 31.700 0.025 0.000 0.929 246 T N -4.173 110.376 114.554 -0.008 0.000 2.943 246 T HA 0.392 4.742 4.350 0.000 0.000 0.284 246 T C -2.044 172.631 174.700 -0.042 0.000 1.015 246 T CA -2.186 59.896 62.100 -0.030 0.000 1.042 246 T CB 1.666 70.508 68.868 -0.044 0.000 1.055 246 T HN -0.312 nan 8.240 nan 0.000 0.500 247 P HA -0.080 nan 4.420 nan 0.000 0.216 247 P C 1.339 178.599 177.300 -0.067 0.000 1.153 247 P CA 1.306 64.355 63.100 -0.085 0.000 0.858 247 P CB 0.067 31.683 31.700 -0.139 0.000 0.789 248 K N -0.809 119.546 120.400 -0.076 0.000 2.147 248 K HA -0.061 4.259 4.320 0.000 0.000 0.205 248 K C 2.064 178.631 176.600 -0.055 0.000 1.049 248 K CA 1.390 57.633 56.287 -0.073 0.000 0.936 248 K CB -0.496 31.953 32.500 -0.086 0.000 0.722 248 K HN 0.078 nan 8.250 nan 0.000 0.446 249 A N 0.902 123.698 122.820 -0.041 0.000 1.929 249 A HA -0.066 4.254 4.320 0.000 0.000 0.216 249 A C 2.327 179.907 177.584 -0.008 0.000 1.176 249 A CA 0.929 52.949 52.037 -0.029 0.000 0.628 249 A CB -0.414 18.573 19.000 -0.022 0.000 0.816 249 A HN 0.040 nan 8.150 nan 0.000 0.444 250 V N 0.320 120.242 119.914 0.013 0.000 2.295 250 V HA -0.270 3.850 4.120 0.000 0.000 0.246 250 V C 2.535 178.669 176.094 0.067 0.000 1.049 250 V CA 1.998 64.336 62.300 0.063 0.000 1.024 250 V CB -0.818 31.061 31.823 0.092 0.000 0.648 250 V HN 0.573 nan 8.190 nan 0.000 0.447 251 L N -0.005 121.234 121.223 0.026 0.000 2.131 251 L HA -0.188 4.152 4.340 0.000 0.000 0.210 251 L C 2.442 179.291 176.870 -0.034 0.000 1.092 251 L CA 1.630 56.464 54.840 -0.010 0.000 0.759 251 L CB -0.622 41.407 42.059 -0.050 0.000 0.903 251 L HN 0.421 nan 8.230 nan 0.000 0.435 252 D N 0.359 120.733 120.400 -0.044 0.000 2.117 252 D HA -0.164 4.476 4.640 0.000 0.000 0.198 252 D C 2.311 178.572 176.300 -0.065 0.000 0.982 252 D CA 1.280 55.240 54.000 -0.066 0.000 0.828 252 D CB 0.167 40.931 40.800 -0.060 0.000 0.967 252 D HN 0.201 nan 8.370 nan 0.000 0.464 253 R N -0.954 119.525 120.500 -0.036 0.000 2.073 253 R HA -0.137 4.203 4.340 0.000 0.000 0.229 253 R C 2.401 178.677 176.300 -0.040 0.000 1.120 253 R CA 0.886 56.960 56.100 -0.044 0.000 0.967 253 R CB -0.570 29.710 30.300 -0.033 0.000 0.862 253 R HN 0.287 nan 8.270 nan 0.000 0.436 254 Y N 2.094 122.305 120.300 -0.147 0.000 2.165 254 Y HA -0.272 4.278 4.550 0.000 0.000 0.286 254 Y C 2.462 178.203 175.900 -0.266 0.000 1.155 254 Y CA 2.178 60.132 58.100 -0.243 0.000 1.164 254 Y CB -0.463 37.644 38.460 -0.588 0.000 0.978 254 Y HN 0.109 nan 8.280 nan 0.000 0.513 255 T N -1.644 112.700 114.554 -0.350 0.000 2.985 255 T HA -0.110 4.240 4.350 0.000 0.000 0.266 255 T C 1.979 176.475 174.700 -0.341 0.000 1.076 255 T CA 1.101 62.945 62.100 -0.428 0.000 1.135 255 T CB -0.413 68.288 68.868 -0.279 0.000 0.890 255 T HN 0.438 nan 8.240 nan 0.000 0.480 256 R N -0.653 119.715 120.500 -0.220 0.000 2.115 256 R HA 0.041 4.381 4.340 0.000 0.000 0.226 256 R C 2.065 178.289 176.300 -0.126 0.000 1.100 256 R CA 0.765 56.774 56.100 -0.152 0.000 0.980 256 R CB -0.369 29.872 30.300 -0.099 0.000 0.875 256 R HN 0.402 nan 8.270 nan 0.000 0.445 257 F N 1.195 120.920 119.950 -0.375 0.000 2.187 257 F HA -0.026 4.501 4.527 0.000 0.000 0.295 257 F C 2.028 177.541 175.800 -0.479 0.000 1.091 257 F CA 1.880 59.636 58.000 -0.407 0.000 1.308 257 F CB -0.385 38.353 39.000 -0.436 0.000 1.030 257 F HN 0.094 nan 8.300 nan 0.000 0.487 258 T N -2.444 111.627 114.554 -0.805 0.000 3.001 258 T HA 0.543 4.893 4.350 0.000 0.000 0.251 258 T C 0.786 175.111 174.700 -0.625 0.000 1.040 258 T CA 0.325 61.897 62.100 -0.880 0.000 0.985 258 T CB 0.075 68.262 68.868 -1.134 0.000 1.011 258 T HN 0.552 nan 8.240 nan 0.000 0.509 259 G N 1.082 109.559 108.800 -0.539 0.000 2.312 259 G HA2 0.301 4.261 3.960 0.000 0.000 0.322 259 G HA3 0.301 4.261 3.960 0.000 0.000 0.322 259 G C -1.533 173.115 174.900 -0.421 0.000 1.645 259 G CA -1.265 43.572 45.100 -0.438 0.000 0.919 259 G HN 0.263 nan 8.290 nan 0.000 0.699 260 R N 1.318 121.623 120.500 -0.326 0.000 2.349 260 R HA 0.484 4.824 4.340 0.000 0.000 0.299 260 R C -2.502 173.631 176.300 -0.278 0.000 1.027 260 R CA -1.947 53.990 56.100 -0.271 0.000 0.958 260 R CB 1.082 31.274 30.300 -0.181 0.000 1.047 260 R HN 0.284 nan 8.270 nan 0.000 0.468 261 P HA 0.019 nan 4.420 nan 0.000 0.267 261 P C -0.530 176.758 177.300 -0.020 0.000 1.205 261 P CA 0.271 63.276 63.100 -0.157 0.000 0.765 261 P CB 0.663 32.278 31.700 -0.143 0.000 0.828 262 A N 3.735 126.533 122.820 -0.038 0.000 2.346 262 A HA 0.329 4.649 4.320 0.000 0.000 0.252 262 A C -0.297 177.399 177.584 0.186 0.000 1.089 262 A CA -0.212 51.856 52.037 0.051 0.000 0.797 262 A CB -0.140 18.884 19.000 0.040 0.000 1.047 262 A HN 0.568 nan 8.150 nan 0.000 0.494 263 L N 2.277 123.593 121.223 0.155 0.000 2.255 263 L HA 0.490 4.830 4.340 0.000 0.000 0.289 263 L C -2.334 174.580 176.870 0.073 0.000 1.046 263 L CA -1.826 53.081 54.840 0.111 0.000 0.816 263 L CB 0.694 42.803 42.059 0.082 0.000 1.197 263 L HN 0.331 nan 8.230 nan 0.000 0.427 264 P HA 0.230 nan 4.420 nan 0.000 0.271 264 P C -2.579 174.837 177.300 0.193 0.000 1.216 264 P CA -1.035 62.015 63.100 -0.082 0.000 0.771 264 P CB -0.065 31.376 31.700 -0.432 0.000 0.864 265 P HA -0.075 nan 4.420 nan 0.000 0.269 265 P C 0.402 177.761 177.300 0.099 0.000 1.217 265 P CA 0.138 63.230 63.100 -0.013 0.000 0.783 265 P CB 0.650 32.145 31.700 -0.343 0.000 0.898 266 A N 3.751 126.612 122.820 0.068 0.000 1.940 266 A HA -0.174 4.146 4.320 0.000 0.000 0.219 266 A C 2.131 179.895 177.584 0.301 0.000 1.176 266 A CA 1.726 53.814 52.037 0.085 0.000 0.631 266 A CB -1.797 17.101 19.000 -0.169 0.000 0.814 266 A HN 0.845 nan 8.150 nan 0.000 0.446 267 W N 0.892 122.304 121.300 0.187 0.000 2.342 267 W HA -0.196 4.464 4.660 0.000 0.000 0.297 267 W C 1.883 178.517 176.519 0.192 0.000 1.213 267 W CA 1.473 58.894 57.345 0.127 0.000 1.251 267 W CB -1.481 28.003 29.460 0.040 0.000 1.136 267 W HN 0.538 nan 8.180 nan 0.000 0.526 268 S N 0.421 116.033 115.700 -0.147 0.000 2.500 268 S HA -0.190 4.281 4.470 0.000 0.000 0.239 268 S C 1.361 176.109 174.600 0.247 0.000 0.989 268 S CA 0.814 59.054 58.200 0.067 0.000 0.951 268 S CB -1.350 61.673 63.200 -0.295 0.000 0.759 268 S HN 0.217 nan 8.310 nan 0.000 0.523 269 F N 2.271 122.298 119.950 0.129 0.000 2.789 269 F HA 0.358 4.885 4.527 0.000 0.000 0.300 269 F C 1.964 177.821 175.800 0.095 0.000 1.132 269 F CA -0.139 57.844 58.000 -0.029 0.000 1.404 269 F CB -0.554 38.428 39.000 -0.030 0.000 1.114 269 F HN 0.321 nan 8.300 nan 0.000 0.584 270 G N 0.263 109.227 108.800 0.274 0.000 2.611 270 G HA2 0.257 4.217 3.960 0.000 0.000 0.273 270 G HA3 0.257 4.217 3.960 0.000 0.000 0.273 270 G C -0.927 174.261 174.900 0.479 0.000 1.305 270 G CA -0.583 44.587 45.100 0.115 0.000 1.010 270 G HN 0.024 nan 8.290 nan 0.000 0.509 271 L N -0.329 121.283 121.223 0.648 0.000 2.360 271 L HA 0.467 4.807 4.340 0.000 0.000 0.276 271 L C -0.909 176.232 176.870 0.452 0.000 1.121 271 L CA -1.031 54.103 54.840 0.489 0.000 0.845 271 L CB 0.205 42.476 42.059 0.353 0.000 1.143 271 L HN 0.424 nan 8.230 nan 0.000 0.452 272 W N 6.039 127.410 121.300 0.118 0.000 2.381 272 W HA 0.524 5.184 4.660 0.000 0.000 0.329 272 W C -0.442 176.041 176.519 -0.061 0.000 1.157 272 W CA -0.508 56.834 57.345 -0.005 0.000 1.240 272 W CB 1.055 30.438 29.460 -0.128 0.000 1.199 272 W HN 0.295 nan 8.180 nan 0.000 0.579 273 L N 3.054 124.304 121.223 0.044 0.000 2.385 273 L HA 0.685 5.026 4.340 0.000 0.000 0.273 273 L C -0.964 175.745 176.870 -0.267 0.000 0.990 273 L CA -0.233 54.582 54.840 -0.042 0.000 0.821 273 L CB 1.713 43.779 42.059 0.012 0.000 1.279 273 L HN 0.414 nan 8.230 nan 0.000 0.412 274 T N 1.842 116.262 114.554 -0.224 0.000 2.916 274 T HA 0.181 4.531 4.350 0.000 0.000 0.298 274 T C -0.129 174.456 174.700 -0.191 0.000 1.031 274 T CA -0.319 61.595 62.100 -0.310 0.000 0.993 274 T CB 1.583 70.338 68.868 -0.189 0.000 1.045 274 T HN 0.602 nan 8.240 nan 0.000 0.454 275 T N 3.384 117.720 114.554 -0.363 0.000 3.945 275 T HA 0.402 4.752 4.350 0.000 0.000 0.306 275 T C 0.581 175.202 174.700 -0.133 0.000 1.475 275 T CA 0.153 62.029 62.100 -0.373 0.000 1.177 275 T CB -1.325 67.204 68.868 -0.566 0.000 1.272 275 T HN 0.758 nan 8.240 nan 0.000 0.930 276 S N 1.735 117.383 115.700 -0.086 0.000 2.848 276 S HA -0.240 4.230 4.470 0.000 0.000 0.633 276 S C 0.284 175.011 174.600 0.212 0.000 3.136 276 S CA 0.978 59.086 58.200 -0.154 0.000 3.383 276 S CB -1.184 61.971 63.200 -0.074 0.000 0.331 276 S HN 0.812 nan 8.310 nan 0.000 1.769 277 F N 1.328 121.314 119.950 0.060 0.000 2.557 277 F HA 0.231 4.758 4.527 0.000 0.000 0.278 277 F C 2.252 178.291 175.800 0.398 0.000 1.051 277 F CA 1.425 59.580 58.000 0.259 0.000 1.357 277 F CB -0.403 38.752 39.000 0.258 0.000 1.104 277 F HN 0.638 nan 8.300 nan 0.000 0.654 278 T N -0.808 113.742 114.554 -0.006 0.000 3.206 278 T HA 0.192 4.542 4.350 0.000 0.000 0.253 278 T C 0.668 175.310 174.700 -0.096 0.000 1.042 278 T CA 0.294 62.273 62.100 -0.202 0.000 0.931 278 T CB -1.549 67.271 68.868 -0.079 0.000 1.029 278 T HN 0.293 nan 8.240 nan 0.000 0.564 279 T N 0.754 115.382 114.554 0.123 0.000 2.918 279 T HA 0.301 4.651 4.350 0.000 0.000 0.302 279 T C -0.108 174.746 174.700 0.256 0.000 1.045 279 T CA -0.775 61.489 62.100 0.275 0.000 1.114 279 T CB 0.682 69.835 68.868 0.476 0.000 0.965 279 T HN 0.256 nan 8.240 nan 0.000 0.540 280 N N 2.126 120.930 118.700 0.174 0.000 2.426 280 N HA 0.444 5.184 4.740 0.000 0.000 0.257 280 N C -1.302 174.335 175.510 0.210 0.000 1.002 280 N CA -0.665 52.388 53.050 0.005 0.000 0.942 280 N CB 0.100 38.547 38.487 -0.066 0.000 1.112 280 N HN 0.756 nan 8.380 nan 0.000 0.499 281 Y N 0.603 120.941 120.300 0.063 0.000 2.638 281 Y HA 0.580 5.130 4.550 0.000 0.000 0.335 281 Y C -1.159 174.770 175.900 0.049 0.000 1.155 281 Y CA -1.259 56.924 58.100 0.139 0.000 1.046 281 Y CB 0.905 39.543 38.460 0.297 0.000 1.303 281 Y HN 0.389 nan 8.280 nan 0.000 0.460 282 D N -0.533 120.005 120.400 0.229 0.000 2.837 282 D HA 0.190 4.830 4.640 0.000 0.000 0.294 282 D C 0.453 177.024 176.300 0.451 0.000 1.158 282 D CA -0.408 53.598 54.000 0.011 0.000 1.073 282 D CB 1.012 41.763 40.800 -0.082 0.000 1.419 282 D HN 0.769 nan 8.370 nan 0.000 0.584 283 E N -0.314 120.138 120.200 0.420 0.000 2.051 283 E HA -0.140 4.210 4.350 0.000 0.000 0.192 283 E C 1.948 178.688 176.600 0.233 0.000 0.991 283 E CA 1.357 58.006 56.400 0.416 0.000 0.799 283 E CB -0.333 29.551 29.700 0.306 0.000 0.748 283 E HN 0.470 nan 8.360 nan 0.000 0.449 284 A N 0.266 123.185 122.820 0.165 0.000 1.933 284 A HA -0.174 4.146 4.320 0.000 0.000 0.218 284 A C 2.359 180.026 177.584 0.138 0.000 1.175 284 A CA 2.024 54.129 52.037 0.114 0.000 0.628 284 A CB -0.929 18.119 19.000 0.081 0.000 0.814 284 A HN 0.360 nan 8.150 nan 0.000 0.444 285 T N -0.362 114.309 114.554 0.195 0.000 2.746 285 T HA -0.104 4.246 4.350 0.000 0.000 0.267 285 T C 1.886 176.740 174.700 0.257 0.000 1.039 285 T CA 1.504 63.753 62.100 0.248 0.000 1.142 285 T CB -0.426 68.646 68.868 0.339 0.000 0.866 285 T HN 0.180 nan 8.240 nan 0.000 0.444 286 V N 2.630 122.667 119.914 0.205 0.000 2.237 286 V HA -0.205 3.915 4.120 0.000 0.000 0.245 286 V C 2.520 178.564 176.094 -0.083 0.000 1.046 286 V CA 1.581 63.861 62.300 -0.033 0.000 1.007 286 V CB -0.628 31.122 31.823 -0.122 0.000 0.638 286 V HN 0.483 nan 8.190 nan 0.000 0.445 287 N N 0.181 118.859 118.700 -0.036 0.000 2.061 287 N HA -0.195 4.545 4.740 0.000 0.000 0.193 287 N C 2.072 177.603 175.510 0.035 0.000 1.030 287 N CA 1.961 54.989 53.050 -0.036 0.000 0.856 287 N CB -0.460 38.021 38.487 -0.010 0.000 1.023 287 N HN 0.441 nan 8.380 nan 0.000 0.424 288 S N -0.248 115.501 115.700 0.082 0.000 2.493 288 S HA -0.094 4.376 4.470 0.000 0.000 0.243 288 S C 1.441 176.131 174.600 0.149 0.000 0.991 288 S CA 0.522 58.779 58.200 0.096 0.000 0.957 288 S CB -0.244 63.013 63.200 0.095 0.000 0.756 288 S HN 0.281 nan 8.310 nan 0.000 0.521 289 F N 1.166 121.124 119.950 0.013 0.000 2.317 289 F HA 0.360 4.887 4.527 0.000 0.000 0.290 289 F C 1.674 177.477 175.800 0.004 0.000 1.075 289 F CA 0.226 58.242 58.000 0.027 0.000 1.380 289 F CB -0.381 38.584 39.000 -0.057 0.000 1.093 289 F HN 0.162 nan 8.300 nan 0.000 0.524 290 I N 0.277 120.973 120.570 0.209 0.000 2.179 290 I HA -0.303 3.867 4.170 0.000 0.000 0.242 290 I C 1.909 178.078 176.117 0.087 0.000 1.088 290 I CA 1.576 62.919 61.300 0.071 0.000 1.357 290 I CB -0.502 37.433 38.000 -0.109 0.000 1.051 290 I HN 0.072 nan 8.210 nan 0.000 0.409 291 D N 0.962 121.397 120.400 0.058 0.000 2.178 291 D HA -0.145 4.495 4.640 0.000 0.000 0.201 291 D C 2.161 178.483 176.300 0.037 0.000 0.980 291 D CA 1.575 55.591 54.000 0.027 0.000 0.842 291 D CB -0.520 40.286 40.800 0.010 0.000 0.948 291 D HN 0.440 nan 8.370 nan 0.000 0.472 292 G N 0.875 109.734 108.800 0.099 0.000 2.442 292 G HA2 -0.244 3.716 3.960 0.000 0.000 0.219 292 G HA3 -0.244 3.716 3.960 0.000 0.000 0.219 292 G C 1.601 176.556 174.900 0.092 0.000 1.141 292 G CA 0.565 45.718 45.100 0.088 0.000 0.763 292 G HN 0.109 nan 8.290 nan 0.000 0.554 293 M N 1.019 120.765 119.600 0.243 0.000 2.077 293 M HA 0.090 4.570 4.480 0.000 0.000 0.261 293 M C 3.095 179.442 176.300 0.078 0.000 1.070 293 M CA 1.382 56.821 55.300 0.232 0.000 1.125 293 M CB -1.315 31.423 32.600 0.229 0.000 1.339 293 M HN 0.307 nan 8.290 nan 0.000 0.409 294 A N 0.107 122.949 122.820 0.036 0.000 1.940 294 A HA -0.186 4.134 4.320 0.000 0.000 0.219 294 A C 2.011 179.575 177.584 -0.034 0.000 1.176 294 A CA 1.782 53.815 52.037 -0.008 0.000 0.631 294 A CB -0.829 18.159 19.000 -0.020 0.000 0.814 294 A HN 0.603 nan 8.150 nan 0.000 0.446 295 E N -0.796 119.369 120.200 -0.059 0.000 2.265 295 E HA -0.127 4.223 4.350 0.000 0.000 0.196 295 E C 1.352 177.872 176.600 -0.134 0.000 0.996 295 E CA 0.743 57.081 56.400 -0.104 0.000 0.832 295 E CB -0.059 29.555 29.700 -0.144 0.000 0.756 295 E HN 0.507 nan 8.360 nan 0.000 0.491 296 R N 0.494 120.915 120.500 -0.132 0.000 2.586 296 R HA 0.143 4.483 4.340 0.000 0.000 0.336 296 R C -0.248 176.037 176.300 -0.025 0.000 1.060 296 R CA -0.148 55.881 56.100 -0.118 0.000 1.079 296 R CB 0.334 30.517 30.300 -0.195 0.000 1.317 296 R HN 0.057 nan 8.270 nan 0.000 0.568 297 N N 1.201 119.890 118.700 -0.018 0.000 2.721 297 N HA -0.193 4.547 4.740 0.000 0.000 0.249 297 N C -0.882 174.650 175.510 0.035 0.000 1.072 297 N CA 0.930 53.981 53.050 0.003 0.000 0.710 297 N CB -0.976 37.510 38.487 -0.002 0.000 0.993 297 N HN 0.345 nan 8.380 nan 0.000 0.547 298 L N 0.784 122.042 121.223 0.060 0.000 2.287 298 L HA 0.344 4.684 4.340 0.000 0.000 0.280 298 L C -1.966 174.937 176.870 0.054 0.000 1.055 298 L CA -1.507 53.392 54.840 0.100 0.000 0.863 298 L CB 0.919 43.086 42.059 0.180 0.000 1.245 298 L HN -0.289 nan 8.230 nan 0.000 0.432 299 P HA 0.023 nan 4.420 nan 0.000 0.264 299 P C -0.852 176.311 177.300 -0.229 0.000 1.183 299 P CA 0.138 63.192 63.100 -0.077 0.000 0.763 299 P CB 0.694 32.424 31.700 0.050 0.000 0.807 300 L N 3.835 124.772 121.223 -0.477 0.000 2.409 300 L HA 0.344 4.684 4.340 0.000 0.000 0.262 300 L C 0.103 176.518 176.870 -0.758 0.000 0.992 300 L CA -0.436 54.130 54.840 -0.457 0.000 0.817 300 L CB 1.780 43.751 42.059 -0.146 0.000 1.350 300 L HN 0.544 nan 8.230 nan 0.000 0.411 301 H N 1.709 120.777 119.070 -0.004 0.000 3.436 301 H HA 0.377 4.933 4.556 0.000 0.000 0.244 301 H C -0.433 174.779 175.328 -0.193 0.000 1.009 301 H CA -0.067 55.948 56.048 -0.054 0.000 1.129 301 H CB 1.123 30.909 29.762 0.041 0.000 1.473 301 H HN 0.171 nan 8.280 nan 0.000 0.510 302 V N 1.526 121.323 119.914 -0.196 0.000 2.588 302 V HA 0.258 4.378 4.120 0.000 0.000 0.304 302 V C -1.444 174.456 176.094 -0.324 0.000 1.042 302 V CA -0.911 61.105 62.300 -0.473 0.000 0.877 302 V CB 2.319 33.404 31.823 -1.229 0.000 0.996 302 V HN 0.153 nan 8.190 nan 0.000 0.425 303 F N 4.047 123.753 119.950 -0.407 0.000 2.458 303 F HA 0.711 5.238 4.527 0.000 0.000 0.336 303 F C -0.395 175.199 175.800 -0.344 0.000 1.114 303 F CA -0.553 57.220 58.000 -0.379 0.000 0.987 303 F CB 1.322 40.062 39.000 -0.434 0.000 1.130 303 F HN 0.698 nan 8.300 nan 0.000 0.458 304 H N 5.640 123.818 119.070 -1.485 0.000 2.511 304 H HA 0.401 4.957 4.556 0.000 0.000 0.328 304 H C -1.647 173.004 175.328 -1.127 0.000 1.044 304 H CA -0.829 54.623 56.048 -0.994 0.000 1.212 304 H CB 0.626 30.027 29.762 -0.602 0.000 1.428 304 H HN 0.498 nan 8.280 nan 0.000 0.483 305 F N 4.513 123.863 119.950 -1.000 0.000 2.404 305 F HA 0.156 4.683 4.527 0.000 0.000 0.359 305 F C 0.790 176.201 175.800 -0.649 0.000 1.134 305 F CA -0.116 57.559 58.000 -0.541 0.000 1.160 305 F CB 0.241 39.096 39.000 -0.242 0.000 1.186 305 F HN 0.631 nan 8.300 nan 0.000 0.526 306 D N 1.050 121.301 120.400 -0.249 0.000 2.403 306 D HA 0.022 4.662 4.640 0.000 0.000 0.278 306 D C 1.617 178.027 176.300 0.182 0.000 1.230 306 D CA -0.527 53.478 54.000 0.008 0.000 1.062 306 D CB 0.667 41.569 40.800 0.169 0.000 1.119 306 D HN 0.613 nan 8.370 nan 0.000 0.557 307 C N -0.170 118.940 119.300 -0.317 0.000 2.315 307 C HA -0.287 4.173 4.460 0.000 0.000 0.256 307 C C 2.256 176.898 174.990 -0.580 0.000 1.076 307 C CA 1.007 59.465 59.018 -0.934 0.000 1.845 307 C CB -1.422 25.676 27.740 -1.071 0.000 2.066 307 C HN 0.502 nan 8.230 nan 0.000 0.423 308 F N 1.861 121.870 119.950 0.098 0.000 2.697 308 F HA 0.142 4.669 4.527 0.000 0.000 0.297 308 F C 1.720 177.690 175.800 0.283 0.000 1.203 308 F CA 0.065 58.152 58.000 0.145 0.000 1.421 308 F CB -0.890 38.095 39.000 -0.024 0.000 1.033 308 F HN 0.636 nan 8.300 nan 0.000 0.512 309 W N -0.956 120.524 121.300 0.299 0.000 3.003 309 W HA 0.285 4.945 4.660 0.000 0.000 0.257 309 W C -0.131 176.462 176.519 0.124 0.000 1.308 309 W CA -0.036 57.451 57.345 0.237 0.000 1.529 309 W CB -0.618 28.611 29.460 -0.385 0.000 1.115 309 W HN -0.004 nan 8.180 nan 0.000 0.659 310 M N 1.324 120.675 119.600 -0.415 0.000 2.705 310 M HA 0.324 4.804 4.480 0.000 0.000 0.311 310 M C 0.006 176.197 176.300 -0.181 0.000 1.214 310 M CA -0.814 54.204 55.300 -0.470 0.000 0.920 310 M CB 2.292 34.436 32.600 -0.761 0.000 1.687 310 M HN -0.399 nan 8.290 nan 0.000 0.481 311 K N 1.070 121.343 120.400 -0.212 0.000 2.382 311 K HA 0.387 4.707 4.320 0.000 0.000 0.275 311 K C -0.168 176.113 176.600 -0.532 0.000 1.009 311 K CA -0.342 55.811 56.287 -0.222 0.000 0.970 311 K CB 0.509 32.911 32.500 -0.163 0.000 0.934 311 K HN 0.695 nan 8.250 nan 0.000 0.479 312 A N 2.242 124.761 122.820 -0.501 0.000 2.520 312 A HA 0.150 4.470 4.320 0.000 0.000 0.235 312 A C 0.015 176.900 177.584 -1.166 0.000 1.065 312 A CA -0.016 51.380 52.037 -1.067 0.000 0.764 312 A CB -0.577 18.025 19.000 -0.663 0.000 1.002 312 A HN 0.774 nan 8.150 nan 0.000 0.502 313 F N -1.487 117.450 119.950 -1.688 0.000 2.890 313 F HA -0.269 4.258 4.527 0.000 0.000 0.346 313 F C 1.365 176.775 175.800 -0.650 0.000 0.660 313 F CA 1.884 59.324 58.000 -0.933 0.000 1.091 313 F CB -1.758 36.940 39.000 -0.505 0.000 1.535 313 F HN 0.745 nan 8.300 nan 0.000 0.314 314 Q N -1.335 118.077 119.800 -0.647 0.000 2.179 314 Q HA 0.040 4.380 4.340 0.000 0.000 0.213 314 Q C -0.107 175.770 176.000 -0.204 0.000 0.833 314 Q CA -0.388 55.238 55.803 -0.296 0.000 0.990 314 Q CB 0.258 28.854 28.738 -0.238 0.000 1.132 314 Q HN 0.308 nan 8.270 nan 0.000 0.493 315 W N 0.836 122.116 121.300 -0.033 0.000 2.603 315 W HA -0.128 4.532 4.660 0.000 0.000 0.349 315 W C 0.543 177.165 176.519 0.172 0.000 1.291 315 W CA 0.066 57.434 57.345 0.039 0.000 1.277 315 W CB -0.337 29.187 29.460 0.107 0.000 1.292 315 W HN 0.267 nan 8.180 nan 0.000 0.578 316 C N 4.428 123.884 119.300 0.261 0.000 4.395 316 C HA -0.253 4.207 4.460 0.000 0.000 0.314 316 C C 1.067 176.021 174.990 -0.061 0.000 1.198 316 C CA 0.708 59.694 59.018 -0.055 0.000 2.199 316 C CB -2.040 25.723 27.740 0.038 0.000 1.280 316 C HN 0.724 nan 8.230 nan 0.000 0.686 317 D N -0.955 119.425 120.400 -0.033 0.000 2.433 317 D HA 0.251 4.891 4.640 0.000 0.000 0.211 317 D C 0.843 177.340 176.300 0.329 0.000 1.114 317 D CA -0.076 54.094 54.000 0.284 0.000 0.837 317 D CB -0.289 40.655 40.800 0.241 0.000 0.984 317 D HN 0.517 nan 8.370 nan 0.000 0.505 318 F N 0.165 120.177 119.950 0.104 0.000 2.953 318 F HA -0.198 4.329 4.527 0.000 0.000 0.292 318 F C -0.259 175.601 175.800 0.100 0.000 0.747 318 F CA 0.400 58.456 58.000 0.092 0.000 1.222 318 F CB -1.864 37.186 39.000 0.083 0.000 1.457 318 F HN -0.049 nan 8.300 nan 0.000 0.383 319 E N 0.255 120.509 120.200 0.090 0.000 2.146 319 E HA 0.188 4.539 4.350 0.000 0.000 0.282 319 E C -0.258 176.414 176.600 0.119 0.000 0.989 319 E CA -0.588 55.918 56.400 0.177 0.000 0.799 319 E CB 0.383 30.171 29.700 0.146 0.000 1.088 319 E HN 0.203 nan 8.360 nan 0.000 0.397 320 W N 1.864 123.341 121.300 0.294 0.000 2.210 320 W HA -0.004 4.656 4.660 0.000 0.000 0.330 320 W C 1.093 177.754 176.519 0.236 0.000 1.334 320 W CA 0.043 57.611 57.345 0.372 0.000 1.227 320 W CB 0.413 30.099 29.460 0.377 0.000 1.178 320 W HN 0.309 nan 8.180 nan 0.000 0.560 321 D N 4.893 125.567 120.400 0.457 0.000 2.426 321 D HA -0.036 4.604 4.640 0.000 0.000 0.261 321 D C -1.377 175.081 176.300 0.264 0.000 1.245 321 D CA -0.920 53.235 54.000 0.258 0.000 0.917 321 D CB 1.178 42.091 40.800 0.188 0.000 1.123 321 D HN 0.076 nan 8.370 nan 0.000 0.508 322 P HA -0.119 nan 4.420 nan 0.000 0.218 322 P C 1.515 178.861 177.300 0.075 0.000 1.148 322 P CA 0.923 64.105 63.100 0.136 0.000 0.822 322 P CB 0.280 32.038 31.700 0.097 0.000 0.784 323 L N -1.948 119.291 121.223 0.027 0.000 2.049 323 L HA -0.072 4.268 4.340 0.000 0.000 0.203 323 L C 2.322 179.143 176.870 -0.080 0.000 1.074 323 L CA 1.576 56.403 54.840 -0.023 0.000 0.749 323 L CB -1.627 40.407 42.059 -0.043 0.000 0.907 323 L HN -0.049 nan 8.230 nan 0.000 0.439 324 T N -0.317 114.137 114.554 -0.168 0.000 2.777 324 T HA -0.060 4.290 4.350 0.000 0.000 0.266 324 T C 0.191 174.550 174.700 -0.568 0.000 1.040 324 T CA 1.206 63.035 62.100 -0.452 0.000 1.141 324 T CB -0.107 68.333 68.868 -0.713 0.000 0.868 324 T HN -0.020 nan 8.240 nan 0.000 0.444 325 F N 0.645 120.697 119.950 0.170 0.000 2.564 325 F HA 0.397 4.924 4.527 0.000 0.000 0.361 325 F C -2.189 173.657 175.800 0.076 0.000 1.161 325 F CA -2.956 55.134 58.000 0.151 0.000 1.198 325 F CB 1.321 40.487 39.000 0.277 0.000 1.424 325 F HN -0.043 nan 8.300 nan 0.000 0.517 326 P HA -0.131 nan 4.420 nan 0.000 0.220 326 P C -0.002 177.322 177.300 0.040 0.000 1.148 326 P CA 1.400 64.550 63.100 0.083 0.000 0.803 326 P CB 0.320 32.048 31.700 0.048 0.000 0.782 327 D N -2.391 118.017 120.400 0.014 0.000 2.363 327 D HA 0.177 4.817 4.640 0.000 0.000 0.258 327 D C -2.037 174.138 176.300 -0.207 0.000 1.259 327 D CA -2.280 51.674 54.000 -0.077 0.000 0.921 327 D CB 0.554 41.324 40.800 -0.050 0.000 1.201 327 D HN -0.165 nan 8.370 nan 0.000 0.524 328 P HA -0.153 nan 4.420 nan 0.000 0.210 328 P C 1.204 178.120 177.300 -0.639 0.000 1.189 328 P CA 0.905 63.451 63.100 -0.923 0.000 0.920 328 P CB 0.283 31.080 31.700 -1.504 0.000 0.782 329 E N -0.619 119.313 120.200 -0.447 0.000 2.130 329 E HA -0.186 4.164 4.350 0.000 0.000 0.196 329 E C 2.131 178.606 176.600 -0.209 0.000 0.998 329 E CA 1.522 57.753 56.400 -0.283 0.000 0.806 329 E CB -0.935 28.652 29.700 -0.189 0.000 0.738 329 E HN 0.180 nan 8.360 nan 0.000 0.459 330 G N 1.146 109.838 108.800 -0.180 0.000 2.418 330 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 330 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 330 G C 1.532 176.366 174.900 -0.110 0.000 1.158 330 G CA 0.904 45.932 45.100 -0.120 0.000 0.771 330 G HN 0.322 nan 8.290 nan 0.000 0.545 331 M N -0.015 119.506 119.600 -0.131 0.000 2.132 331 M HA 0.057 4.537 4.480 0.000 0.000 0.263 331 M C 2.461 178.715 176.300 -0.077 0.000 1.065 331 M CA 1.352 56.606 55.300 -0.078 0.000 1.122 331 M CB -0.213 32.355 32.600 -0.054 0.000 1.365 331 M HN 0.229 nan 8.290 nan 0.000 0.411 332 I N 0.169 120.655 120.570 -0.141 0.000 2.142 332 I HA -0.308 3.862 4.170 0.000 0.000 0.240 332 I C 2.383 178.444 176.117 -0.094 0.000 1.078 332 I CA 1.481 62.725 61.300 -0.093 0.000 1.343 332 I CB -0.484 37.423 38.000 -0.154 0.000 1.046 332 I HN 0.324 nan 8.210 nan 0.000 0.405 333 R N 0.208 120.642 120.500 -0.111 0.000 2.193 333 R HA -0.085 4.255 4.340 0.000 0.000 0.229 333 R C 2.358 178.606 176.300 -0.086 0.000 1.110 333 R CA 0.818 56.858 56.100 -0.100 0.000 0.988 333 R CB -0.203 30.040 30.300 -0.096 0.000 0.871 333 R HN 0.385 nan 8.270 nan 0.000 0.458 334 R N 0.304 120.758 120.500 -0.078 0.000 2.080 334 R HA 0.037 4.377 4.340 0.000 0.000 0.222 334 R C 2.239 178.494 176.300 -0.075 0.000 1.107 334 R CA 0.822 56.882 56.100 -0.067 0.000 0.980 334 R CB -0.165 30.104 30.300 -0.053 0.000 0.879 334 R HN 0.174 nan 8.270 nan 0.000 0.439 335 L N 0.616 121.792 121.223 -0.079 0.000 2.046 335 L HA -0.176 4.164 4.340 0.000 0.000 0.208 335 L C 2.385 179.189 176.870 -0.111 0.000 1.077 335 L CA 1.209 55.988 54.840 -0.102 0.000 0.747 335 L CB -0.316 41.687 42.059 -0.095 0.000 0.896 335 L HN 0.004 nan 8.230 nan 0.000 0.432 336 K N 0.483 120.817 120.400 -0.110 0.000 2.032 336 K HA -0.152 4.168 4.320 0.000 0.000 0.209 336 K C 2.053 178.582 176.600 -0.119 0.000 1.048 336 K CA 1.573 57.781 56.287 -0.132 0.000 0.927 336 K CB -0.477 31.943 32.500 -0.133 0.000 0.712 336 K HN 0.267 nan 8.250 nan 0.000 0.441 337 A N 0.488 123.250 122.820 -0.098 0.000 2.125 337 A HA -0.147 4.173 4.320 0.000 0.000 0.219 337 A C 1.374 178.910 177.584 -0.080 0.000 1.156 337 A CA 1.363 53.349 52.037 -0.084 0.000 0.671 337 A CB -0.320 18.638 19.000 -0.071 0.000 0.794 337 A HN 0.238 nan 8.150 nan 0.000 0.459 338 K N -0.693 119.654 120.400 -0.088 0.000 2.476 338 K HA 0.224 4.544 4.320 0.000 0.000 0.196 338 K C 0.640 177.188 176.600 -0.088 0.000 1.025 338 K CA 0.384 56.621 56.287 -0.083 0.000 1.138 338 K CB -0.252 32.194 32.500 -0.090 0.000 0.860 338 K HN 0.601 nan 8.250 nan 0.000 0.515 339 G N 1.934 110.677 108.800 -0.096 0.000 2.368 339 G HA2 -0.248 3.712 3.960 0.000 0.000 0.290 339 G HA3 -0.248 3.712 3.960 0.000 0.000 0.290 339 G C -0.424 174.407 174.900 -0.114 0.000 1.098 339 G CA -0.088 44.956 45.100 -0.094 0.000 1.073 339 G HN 0.216 nan 8.290 nan 0.000 0.511 340 L N -0.853 120.276 121.223 -0.156 0.000 2.376 340 L HA 0.686 5.026 4.340 0.000 0.000 0.258 340 L C -0.258 176.440 176.870 -0.287 0.000 1.013 340 L CA -1.306 53.421 54.840 -0.190 0.000 0.822 340 L CB 2.015 43.979 42.059 -0.158 0.000 1.388 340 L HN -0.035 nan 8.230 nan 0.000 0.413 341 K N 1.805 121.977 120.400 -0.381 0.000 2.207 341 K HA 0.604 4.924 4.320 0.000 0.000 0.255 341 K C -1.229 175.127 176.600 -0.407 0.000 0.941 341 K CA -0.731 55.214 56.287 -0.570 0.000 0.825 341 K CB 2.403 34.288 32.500 -1.026 0.000 1.119 341 K HN 0.248 nan 8.250 nan 0.000 0.430 342 I N 1.363 121.730 120.570 -0.339 0.000 2.378 342 I HA 0.187 4.357 4.170 0.000 0.000 0.291 342 I C -0.278 175.712 176.117 -0.212 0.000 0.992 342 I CA -0.500 60.692 61.300 -0.180 0.000 1.154 342 I CB 1.422 39.410 38.000 -0.020 0.000 1.315 342 I HN 0.506 nan 8.210 nan 0.000 0.448 343 C N 7.944 127.147 119.300 -0.162 0.000 2.456 343 C HA 0.915 5.375 4.460 0.000 0.000 0.325 343 C C -0.371 174.670 174.990 0.086 0.000 1.217 343 C CA -0.369 58.604 59.018 -0.075 0.000 1.687 343 C CB 0.514 28.249 27.740 -0.009 0.000 2.270 343 C HN 0.682 nan 8.230 nan 0.000 0.499 344 V N 3.107 123.072 119.914 0.084 0.000 2.823 344 V HA 0.678 4.798 4.120 0.000 0.000 0.312 344 V C -0.681 175.676 176.094 0.439 0.000 1.072 344 V CA -0.907 61.440 62.300 0.077 0.000 0.937 344 V CB 1.368 32.946 31.823 -0.409 0.000 1.013 344 V HN 1.102 nan 8.190 nan 0.000 0.430 345 W N 5.305 126.819 121.300 0.357 0.000 2.190 345 W HA 0.703 5.363 4.660 0.000 0.000 0.330 345 W C -0.184 176.664 176.519 0.548 0.000 1.299 345 W CA 0.251 57.892 57.345 0.493 0.000 1.215 345 W CB 0.749 30.462 29.460 0.422 0.000 1.147 345 W HN 0.900 nan 8.180 nan 0.000 0.563 346 I N 3.497 123.905 120.570 -0.271 0.000 3.181 346 I HA 0.604 4.774 4.170 0.000 0.000 0.311 346 I C -1.185 174.373 176.117 -0.932 0.000 1.287 346 I CA -1.189 59.905 61.300 -0.344 0.000 0.958 346 I CB 2.155 40.177 38.000 0.037 0.000 1.294 346 I HN 0.617 nan 8.210 nan 0.000 0.467 347 N N 1.721 120.126 118.700 -0.491 0.000 3.116 347 N HA 0.456 5.196 4.740 0.000 0.000 0.244 347 N C -2.962 172.447 175.510 -0.167 0.000 1.485 347 N CA -1.374 51.465 53.050 -0.350 0.000 0.884 347 N CB 2.087 40.262 38.487 -0.519 0.000 1.415 347 N HN 0.466 nan 8.380 nan 0.000 0.524 348 P HA 0.263 nan 4.420 nan 0.000 0.259 348 P C -0.977 176.417 177.300 0.156 0.000 1.530 348 P CA 0.264 63.152 63.100 -0.353 0.000 1.022 348 P CB -0.263 31.029 31.700 -0.679 0.000 1.514 349 Y N 0.053 120.566 120.300 0.355 0.000 2.650 349 Y HA 0.660 5.210 4.550 0.000 0.000 0.331 349 Y C 0.417 176.564 175.900 0.411 0.000 1.082 349 Y CA -2.305 56.005 58.100 0.350 0.000 1.171 349 Y CB 1.230 39.889 38.460 0.332 0.000 1.326 349 Y HN -0.262 nan 8.280 nan 0.000 0.513 350 I N 0.314 121.162 120.570 0.463 0.000 2.680 350 I HA 0.641 4.811 4.170 0.000 0.000 0.291 350 I C -0.382 175.975 176.117 0.399 0.000 1.244 350 I CA -0.493 61.032 61.300 0.374 0.000 1.042 350 I CB 1.693 39.799 38.000 0.177 0.000 1.277 350 I HN 0.751 nan 8.210 nan 0.000 0.423 351 G N 4.252 113.239 108.800 0.312 0.000 2.503 351 G HA2 0.183 4.143 3.960 0.000 0.000 0.257 351 G HA3 0.183 4.143 3.960 0.000 0.000 0.257 351 G C 0.197 175.109 174.900 0.020 0.000 1.214 351 G CA -0.219 44.978 45.100 0.162 0.000 0.839 351 G HN 0.834 nan 8.290 nan 0.000 0.559 352 Q N 0.212 119.784 119.800 -0.381 0.000 2.135 352 Q HA -0.153 4.188 4.340 0.000 0.000 0.204 352 Q C 2.349 178.056 176.000 -0.488 0.000 0.981 352 Q CA 1.552 56.763 55.803 -0.986 0.000 0.856 352 Q CB -0.029 28.221 28.738 -0.813 0.000 0.902 352 Q HN 0.699 nan 8.270 nan 0.000 0.425 353 K N 0.199 120.435 120.400 -0.273 0.000 2.360 353 K HA -0.064 4.256 4.320 0.000 0.000 0.201 353 K C 0.454 176.998 176.600 -0.094 0.000 1.046 353 K CA 0.388 56.569 56.287 -0.178 0.000 0.945 353 K CB 0.028 32.436 32.500 -0.154 0.000 0.750 353 K HN -0.030 nan 8.250 nan 0.000 0.464 354 S N 0.608 116.287 115.700 -0.034 0.000 2.548 354 S HA 0.151 4.621 4.470 0.000 0.000 0.277 354 S C -1.946 172.710 174.600 0.093 0.000 1.315 354 S CA -1.626 56.602 58.200 0.046 0.000 1.050 354 S CB 1.166 64.434 63.200 0.114 0.000 0.918 354 S HN 0.026 nan 8.310 nan 0.000 0.497 355 P HA -0.063 nan 4.420 nan 0.000 0.218 355 P C 1.276 178.653 177.300 0.129 0.000 1.149 355 P CA 0.620 63.775 63.100 0.091 0.000 0.817 355 P CB 0.050 31.800 31.700 0.084 0.000 0.785 356 V N -1.179 118.837 119.914 0.170 0.000 2.626 356 V HA -0.209 3.911 4.120 0.000 0.000 0.252 356 V C 2.063 178.206 176.094 0.082 0.000 1.067 356 V CA 1.229 63.634 62.300 0.175 0.000 1.081 356 V CB -1.393 30.620 31.823 0.316 0.000 0.686 356 V HN 0.032 nan 8.190 nan 0.000 0.468 357 F N 1.612 121.547 119.950 -0.025 0.000 2.091 357 F HA -0.278 4.249 4.527 0.000 0.000 0.299 357 F C 2.463 178.198 175.800 -0.108 0.000 1.103 357 F CA 2.450 60.401 58.000 -0.082 0.000 1.228 357 F CB -0.205 38.759 39.000 -0.059 0.000 0.984 357 F HN 0.037 nan 8.300 nan 0.000 0.477 358 K N 0.344 120.868 120.400 0.207 0.000 2.057 358 K HA -0.253 4.067 4.320 0.000 0.000 0.206 358 K C 2.269 178.823 176.600 -0.076 0.000 1.050 358 K CA 1.678 58.018 56.287 0.088 0.000 0.935 358 K CB -0.424 32.128 32.500 0.086 0.000 0.715 358 K HN 0.543 nan 8.250 nan 0.000 0.439 359 E N 0.866 121.014 120.200 -0.086 0.000 2.058 359 E HA -0.224 4.126 4.350 0.000 0.000 0.194 359 E C 2.051 178.443 176.600 -0.347 0.000 0.997 359 E CA 1.308 57.613 56.400 -0.158 0.000 0.801 359 E CB -0.177 29.477 29.700 -0.076 0.000 0.746 359 E HN 0.339 nan 8.360 nan 0.000 0.450 360 L N 0.711 121.669 121.223 -0.442 0.000 2.017 360 L HA -0.225 4.115 4.340 0.000 0.000 0.208 360 L C 3.070 179.625 176.870 -0.525 0.000 1.073 360 L CA 1.846 56.323 54.840 -0.605 0.000 0.745 360 L CB -0.761 40.917 42.059 -0.634 0.000 0.894 360 L HN 0.358 nan 8.230 nan 0.000 0.432 361 Q N 0.699 120.219 119.800 -0.465 0.000 2.096 361 Q HA -0.250 4.090 4.340 0.000 0.000 0.204 361 Q C 1.913 177.762 176.000 -0.252 0.000 0.982 361 Q CA 1.893 57.482 55.803 -0.356 0.000 0.850 361 Q CB -0.012 28.553 28.738 -0.288 0.000 0.901 361 Q HN 0.538 nan 8.270 nan 0.000 0.422 362 E N -0.175 119.886 120.200 -0.232 0.000 2.347 362 E HA -0.099 4.251 4.350 0.000 0.000 0.196 362 E C 1.644 178.101 176.600 -0.238 0.000 1.008 362 E CA 0.591 56.884 56.400 -0.179 0.000 0.852 362 E CB 0.216 29.839 29.700 -0.129 0.000 0.783 362 E HN 0.309 nan 8.360 nan 0.000 0.505 363 K N -0.545 119.605 120.400 -0.416 0.000 2.361 363 K HA 0.057 4.377 4.320 0.000 0.000 0.196 363 K C 0.946 177.273 176.600 -0.456 0.000 1.039 363 K CA 0.508 56.435 56.287 -0.600 0.000 1.001 363 K CB 0.696 32.423 32.500 -1.289 0.000 0.795 363 K HN 0.181 nan 8.250 nan 0.000 0.495 364 G N 1.197 109.811 108.800 -0.310 0.000 2.149 364 G HA2 -0.228 3.733 3.960 0.000 0.000 0.235 364 G HA3 -0.228 3.733 3.960 0.000 0.000 0.235 364 G C 0.071 175.005 174.900 0.057 0.000 1.018 364 G CA -0.106 44.938 45.100 -0.094 0.000 0.728 364 G HN 0.231 nan 8.290 nan 0.000 0.508 365 Y N -0.437 119.741 120.300 -0.204 0.000 2.461 365 Y HA 0.477 5.028 4.550 0.000 0.000 0.277 365 Y C 1.572 177.349 175.900 -0.205 0.000 1.182 365 Y CA -0.645 57.340 58.100 -0.191 0.000 1.276 365 Y CB -0.026 38.306 38.460 -0.214 0.000 1.087 365 Y HN 0.325 nan 8.280 nan 0.000 0.519 366 L N 0.029 121.193 121.223 -0.098 0.000 2.333 366 L HA 0.367 4.707 4.340 0.000 0.000 0.269 366 L C -0.457 176.334 176.870 -0.131 0.000 1.010 366 L CA -1.459 53.269 54.840 -0.186 0.000 0.818 366 L CB 1.744 43.606 42.059 -0.329 0.000 1.306 366 L HN -0.215 nan 8.230 nan 0.000 0.430 367 L N 2.858 123.980 121.223 -0.169 0.000 2.513 367 L HA 0.097 4.437 4.340 0.000 0.000 0.272 367 L C -0.291 176.481 176.870 -0.164 0.000 1.187 367 L CA 0.713 55.390 54.840 -0.271 0.000 0.895 367 L CB -0.245 41.530 42.059 -0.472 0.000 1.147 367 L HN 0.471 nan 8.230 nan 0.000 0.483 368 K N 5.140 125.445 120.400 -0.158 0.000 2.221 368 K HA 0.575 4.895 4.320 0.000 0.000 0.243 368 K C -0.308 176.253 176.600 -0.065 0.000 0.968 368 K CA -0.932 55.316 56.287 -0.066 0.000 0.846 368 K CB 1.709 34.190 32.500 -0.033 0.000 1.141 368 K HN 0.521 nan 8.250 nan 0.000 0.434 369 R N 0.916 121.423 120.500 0.011 0.000 2.580 369 R HA 0.105 4.445 4.340 0.000 0.000 0.267 369 R C -1.692 174.610 176.300 0.004 0.000 1.125 369 R CA -1.646 54.472 56.100 0.030 0.000 1.188 369 R CB -0.089 30.256 30.300 0.073 0.000 1.155 369 R HN 0.341 nan 8.270 nan 0.000 0.586 370 P HA -0.205 nan 4.420 nan 0.000 0.216 370 P C 0.209 177.518 177.300 0.015 0.000 1.153 370 P CA 1.550 64.658 63.100 0.014 0.000 0.858 370 P CB 0.025 31.739 31.700 0.023 0.000 0.789 371 D N -2.220 118.189 120.400 0.016 0.000 2.378 371 D HA 0.013 4.653 4.640 0.000 0.000 0.222 371 D C 1.473 177.779 176.300 0.010 0.000 0.980 371 D CA 1.145 55.153 54.000 0.013 0.000 0.907 371 D CB -0.924 39.883 40.800 0.011 0.000 0.899 371 D HN 0.274 nan 8.370 nan 0.000 0.527 372 G N -0.337 108.468 108.800 0.009 0.000 2.232 372 G HA2 -0.285 3.675 3.960 0.000 0.000 0.226 372 G HA3 -0.285 3.675 3.960 0.000 0.000 0.226 372 G C 0.519 175.420 174.900 0.001 0.000 0.996 372 G CA 0.274 45.379 45.100 0.008 0.000 0.626 372 G HN 0.875 nan 8.290 nan 0.000 0.509 373 S N 0.676 116.376 115.700 0.001 0.000 2.600 373 S HA 0.668 5.139 4.470 0.000 0.000 0.265 373 S C 0.611 175.210 174.600 -0.002 0.000 1.325 373 S CA -0.560 57.637 58.200 -0.004 0.000 1.002 373 S CB 1.165 64.361 63.200 -0.007 0.000 0.921 373 S HN 0.696 nan 8.310 nan 0.000 0.554 374 L N 1.002 122.223 121.223 -0.004 0.000 2.371 374 L HA 0.293 4.633 4.340 0.000 0.000 0.272 374 L C 0.052 176.934 176.870 0.019 0.000 1.124 374 L CA -0.676 54.166 54.840 0.004 0.000 0.816 374 L CB 0.410 42.471 42.059 0.003 0.000 1.129 374 L HN 0.839 nan 8.230 nan 0.000 0.448 375 W N 4.010 125.239 121.300 -0.119 0.000 2.287 375 W HA 0.311 4.971 4.660 0.000 0.000 0.313 375 W C -0.305 176.158 176.519 -0.092 0.000 1.267 375 W CA 0.064 57.327 57.345 -0.137 0.000 1.201 375 W CB 0.587 29.910 29.460 -0.230 0.000 1.196 375 W HN 0.454 nan 8.180 nan 0.000 0.536 376 Q N 4.704 123.972 119.800 -0.886 0.000 2.590 376 Q HA 0.423 4.763 4.340 0.000 0.000 0.295 376 Q C -1.144 174.423 176.000 -0.721 0.000 0.973 376 Q CA -0.857 54.596 55.803 -0.584 0.000 0.768 376 Q CB 2.842 31.477 28.738 -0.172 0.000 1.479 376 Q HN 0.587 nan 8.270 nan 0.000 0.419 377 W N -0.234 120.751 121.300 -0.524 0.000 2.882 377 W HA 0.356 5.016 4.660 0.000 0.000 0.382 377 W C -1.619 174.813 176.519 -0.145 0.000 1.143 377 W CA -0.659 56.479 57.345 -0.346 0.000 1.155 377 W CB -0.235 29.009 29.460 -0.360 0.000 1.466 377 W HN 0.585 nan 8.180 nan 0.000 0.570 378 D N 0.700 121.011 120.400 -0.148 0.000 2.462 378 D HA 0.126 4.766 4.640 0.000 0.000 0.221 378 D C -0.405 175.675 176.300 -0.367 0.000 1.173 378 D CA -0.043 53.819 54.000 -0.230 0.000 0.831 378 D CB 0.778 41.501 40.800 -0.128 0.000 1.001 378 D HN 0.137 nan 8.370 nan 0.000 0.499 379 K N 0.808 120.712 120.400 -0.826 0.000 2.248 379 K HA 0.102 4.422 4.320 0.000 0.000 0.281 379 K C 0.474 176.925 176.600 -0.250 0.000 1.054 379 K CA -0.555 55.348 56.287 -0.639 0.000 0.903 379 K CB 1.745 33.621 32.500 -1.040 0.000 1.077 379 K HN 0.158 nan 8.250 nan 0.000 0.474 380 W N 1.616 122.820 121.300 -0.161 0.000 0.689 380 W HA -0.307 4.354 4.660 0.000 0.000 0.220 380 W C -1.203 175.390 176.519 0.123 0.000 0.930 380 W CA 1.172 58.518 57.345 0.002 0.000 0.343 380 W CB -0.374 29.064 29.460 -0.038 0.000 1.926 380 W HN 0.593 nan 8.180 nan 0.000 1.185 381 Q N 0.200 119.956 119.800 -0.074 0.000 2.534 381 Q HA 0.407 4.747 4.340 0.000 0.000 0.290 381 Q C -2.477 173.503 176.000 -0.033 0.000 0.991 381 Q CA -1.256 54.522 55.803 -0.043 0.000 0.783 381 Q CB 2.458 31.230 28.738 0.056 0.000 1.470 381 Q HN -0.121 nan 8.270 nan 0.000 0.406 382 P HA 0.153 nan 4.420 nan 0.000 0.293 382 P C 0.187 177.424 177.300 -0.106 0.000 1.300 382 P CA 0.265 63.293 63.100 -0.120 0.000 0.792 382 P CB 0.692 32.254 31.700 -0.231 0.000 0.925 383 G N 3.269 112.017 108.800 -0.086 0.000 2.366 383 G HA2 -0.274 3.686 3.960 0.000 0.000 0.299 383 G HA3 -0.274 3.686 3.960 0.000 0.000 0.299 383 G C -0.086 174.847 174.900 0.055 0.000 1.020 383 G CA -0.070 44.988 45.100 -0.070 0.000 1.026 383 G HN 0.637 nan 8.290 nan 0.000 0.512 384 L N 0.305 121.633 121.223 0.175 0.000 2.410 384 L HA 0.595 4.935 4.340 0.000 0.000 0.273 384 L C 0.807 177.895 176.870 0.363 0.000 1.144 384 L CA 0.187 55.217 54.840 0.316 0.000 0.863 384 L CB 0.509 42.789 42.059 0.368 0.000 1.140 384 L HN 0.500 nan 8.230 nan 0.000 0.463 385 A N 6.374 129.415 122.820 0.368 0.000 2.282 385 A HA 0.791 5.111 4.320 0.000 0.000 0.324 385 A C -0.667 177.016 177.584 0.165 0.000 1.119 385 A CA -0.703 51.471 52.037 0.229 0.000 0.880 385 A CB 0.971 19.999 19.000 0.047 0.000 1.294 385 A HN 0.709 nan 8.150 nan 0.000 0.493 386 I N 0.177 120.782 120.570 0.058 0.000 2.465 386 I HA 0.251 4.421 4.170 0.000 0.000 0.291 386 I C -1.254 174.811 176.117 -0.087 0.000 1.014 386 I CA -0.452 60.885 61.300 0.062 0.000 1.093 386 I CB 1.607 39.587 38.000 -0.034 0.000 1.267 386 I HN 0.620 nan 8.210 nan 0.000 0.431 387 Y N 3.635 123.860 120.300 -0.124 0.000 2.620 387 Y HA -0.047 4.503 4.550 0.000 0.000 0.330 387 Y C 0.859 176.549 175.900 -0.350 0.000 1.186 387 Y CA 0.319 58.220 58.100 -0.331 0.000 1.467 387 Y CB 0.213 38.262 38.460 -0.685 0.000 1.262 387 Y HN 0.434 nan 8.280 nan 0.000 0.550 388 D N 4.485 124.870 120.400 -0.026 0.000 2.468 388 D HA 0.041 4.681 4.640 0.000 0.000 0.218 388 D C 0.229 176.667 176.300 0.230 0.000 1.155 388 D CA 0.062 54.173 54.000 0.185 0.000 0.924 388 D CB -0.238 40.662 40.800 0.166 0.000 1.029 388 D HN 0.579 nan 8.370 nan 0.000 0.515 389 F N 0.863 121.016 119.950 0.338 0.000 2.641 389 F HA -0.115 4.412 4.527 0.000 0.000 0.298 389 F C 2.468 178.328 175.800 0.101 0.000 1.146 389 F CA 0.562 58.613 58.000 0.085 0.000 1.464 389 F CB 0.253 39.160 39.000 -0.154 0.000 1.101 389 F HN 0.324 nan 8.300 nan 0.000 0.585 390 T N -3.066 111.731 114.554 0.406 0.000 3.169 390 T HA -0.031 4.319 4.350 0.000 0.000 0.250 390 T C 0.508 175.445 174.700 0.394 0.000 1.111 390 T CA -0.196 62.111 62.100 0.345 0.000 1.010 390 T CB -0.447 68.648 68.868 0.379 0.000 0.984 390 T HN 0.004 nan 8.240 nan 0.000 0.537 391 N N 1.866 120.703 118.700 0.229 0.000 2.469 391 N HA 0.298 5.038 4.740 0.000 0.000 0.253 391 N C -2.259 173.176 175.510 -0.126 0.000 0.970 391 N CA -2.209 50.750 53.050 -0.152 0.000 0.940 391 N CB 2.195 40.437 38.487 -0.408 0.000 1.128 391 N HN -0.070 nan 8.380 nan 0.000 0.503 392 P HA -0.126 nan 4.420 nan 0.000 0.217 392 P C 0.406 177.647 177.300 -0.098 0.000 1.151 392 P CA 1.271 64.360 63.100 -0.018 0.000 0.849 392 P CB 0.461 32.196 31.700 0.059 0.000 0.787 393 D N -1.309 118.956 120.400 -0.226 0.000 2.194 393 D HA -0.004 4.636 4.640 0.000 0.000 0.204 393 D C 1.980 177.905 176.300 -0.626 0.000 0.964 393 D CA 1.114 54.934 54.000 -0.301 0.000 0.846 393 D CB -0.468 40.214 40.800 -0.196 0.000 0.962 393 D HN 0.066 nan 8.370 nan 0.000 0.490 394 A N 0.649 122.998 122.820 -0.784 0.000 1.930 394 A HA -0.163 4.157 4.320 0.000 0.000 0.217 394 A C 2.509 180.102 177.584 0.015 0.000 1.175 394 A CA 1.047 52.707 52.037 -0.628 0.000 0.627 394 A CB -0.884 17.957 19.000 -0.264 0.000 0.815 394 A HN 0.308 nan 8.150 nan 0.000 0.443 395 C N -0.719 118.619 119.300 0.063 0.000 2.429 395 C HA -0.070 4.390 4.460 0.000 0.000 0.277 395 C C 2.679 177.735 174.990 0.109 0.000 1.262 395 C CA 1.361 60.469 59.018 0.151 0.000 1.733 395 C CB -0.983 26.789 27.740 0.054 0.000 2.010 395 C HN 0.720 nan 8.230 nan 0.000 0.483 396 K N -0.738 119.689 120.400 0.046 0.000 2.057 396 K HA -0.214 4.106 4.320 0.000 0.000 0.206 396 K C 2.001 178.657 176.600 0.093 0.000 1.050 396 K CA 1.650 57.964 56.287 0.043 0.000 0.935 396 K CB -0.312 32.204 32.500 0.027 0.000 0.715 396 K HN 0.667 nan 8.250 nan 0.000 0.439 397 W N 0.484 121.772 121.300 -0.020 0.000 2.335 397 W HA -0.276 4.384 4.660 0.000 0.000 0.311 397 W C 1.952 178.513 176.519 0.070 0.000 1.213 397 W CA 1.885 59.273 57.345 0.073 0.000 1.274 397 W CB -0.498 29.073 29.460 0.185 0.000 1.148 397 W HN 0.167 nan 8.180 nan 0.000 0.498 398 Y N 0.694 121.158 120.300 0.273 0.000 2.181 398 Y HA -0.189 4.361 4.550 0.000 0.000 0.288 398 Y C 2.425 178.145 175.900 -0.300 0.000 1.146 398 Y CA 2.779 60.894 58.100 0.024 0.000 1.164 398 Y CB -0.940 37.643 38.460 0.206 0.000 0.982 398 Y HN -0.001 nan 8.280 nan 0.000 0.515 399 A N 0.108 122.930 122.820 0.002 0.000 1.883 399 A HA -0.221 4.099 4.320 0.000 0.000 0.217 399 A C 1.955 179.386 177.584 -0.255 0.000 1.186 399 A CA 2.069 54.031 52.037 -0.124 0.000 0.624 399 A CB -0.885 18.077 19.000 -0.063 0.000 0.822 399 A HN 0.531 nan 8.150 nan 0.000 0.444 400 D N -0.124 120.121 120.400 -0.258 0.000 2.149 400 D HA -0.129 4.511 4.640 0.000 0.000 0.198 400 D C 1.793 177.844 176.300 -0.416 0.000 0.990 400 D CA 1.066 54.897 54.000 -0.281 0.000 0.839 400 D CB -0.198 40.455 40.800 -0.244 0.000 0.948 400 D HN 0.276 nan 8.370 nan 0.000 0.460 401 K N 0.499 120.485 120.400 -0.690 0.000 2.097 401 K HA -0.043 4.277 4.320 0.000 0.000 0.206 401 K C 2.371 178.511 176.600 -0.767 0.000 1.049 401 K CA 0.318 56.067 56.287 -0.896 0.000 0.933 401 K CB -0.368 31.151 32.500 -1.634 0.000 0.717 401 K HN 0.273 nan 8.250 nan 0.000 0.442 402 L N 0.747 121.524 121.223 -0.743 0.000 2.072 402 L HA -0.128 4.212 4.340 0.000 0.000 0.205 402 L C 2.314 179.114 176.870 -0.118 0.000 1.079 402 L CA 1.140 55.704 54.840 -0.460 0.000 0.752 402 L CB -0.310 41.420 42.059 -0.548 0.000 0.906 402 L HN 0.100 nan 8.230 nan 0.000 0.436 403 K N 0.203 120.508 120.400 -0.159 0.000 2.103 403 K HA -0.123 4.197 4.320 0.000 0.000 0.207 403 K C 2.144 178.705 176.600 -0.065 0.000 1.048 403 K CA 1.266 57.504 56.287 -0.080 0.000 0.930 403 K CB -0.485 31.955 32.500 -0.100 0.000 0.716 403 K HN 0.402 nan 8.250 nan 0.000 0.444 404 G N 1.630 110.365 108.800 -0.108 0.000 2.440 404 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 404 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 404 G C 1.497 176.401 174.900 0.007 0.000 1.154 404 G CA 0.599 45.662 45.100 -0.062 0.000 0.767 404 G HN 0.094 nan 8.290 nan 0.000 0.552 405 L N 0.171 121.423 121.223 0.048 0.000 2.027 405 L HA -0.076 4.264 4.340 0.000 0.000 0.206 405 L C 3.025 179.924 176.870 0.047 0.000 1.074 405 L CA 0.486 55.400 54.840 0.123 0.000 0.745 405 L CB -0.543 41.661 42.059 0.240 0.000 0.898 405 L HN 0.090 nan 8.230 nan 0.000 0.433 406 V N 0.277 120.221 119.914 0.050 0.000 2.332 406 V HA -0.298 3.822 4.120 0.000 0.000 0.248 406 V C 2.697 178.758 176.094 -0.054 0.000 1.055 406 V CA 1.836 64.116 62.300 -0.034 0.000 1.038 406 V CB -1.009 30.806 31.823 -0.012 0.000 0.651 406 V HN 0.497 nan 8.190 nan 0.000 0.450 407 A N -1.024 121.773 122.820 -0.039 0.000 2.125 407 A HA -0.157 4.163 4.320 0.000 0.000 0.219 407 A C 2.164 179.713 177.584 -0.058 0.000 1.156 407 A CA 1.875 53.882 52.037 -0.049 0.000 0.671 407 A CB -0.532 18.443 19.000 -0.042 0.000 0.794 407 A HN 0.552 nan 8.150 nan 0.000 0.459 408 M N -1.871 117.696 119.600 -0.055 0.000 2.541 408 M HA 0.212 4.692 4.480 0.000 0.000 0.252 408 M C 1.192 177.427 176.300 -0.109 0.000 1.125 408 M CA 1.159 56.410 55.300 -0.082 0.000 1.091 408 M CB 0.399 32.963 32.600 -0.061 0.000 1.420 408 M HN 0.553 nan 8.290 nan 0.000 0.486 409 G N 0.057 108.794 108.800 -0.105 0.000 2.205 409 G HA2 -0.153 3.807 3.960 0.000 0.000 0.180 409 G HA3 -0.153 3.807 3.960 0.000 0.000 0.180 409 G C -0.128 174.680 174.900 -0.153 0.000 1.004 409 G CA -0.083 44.940 45.100 -0.128 0.000 0.670 409 G HN 0.268 nan 8.290 nan 0.000 0.496 410 V N 1.911 121.732 119.914 -0.155 0.000 2.637 410 V HA 0.261 4.381 4.120 0.000 0.000 0.296 410 V C 1.048 176.957 176.094 -0.308 0.000 1.046 410 V CA 0.803 62.963 62.300 -0.233 0.000 1.066 410 V CB 1.365 33.025 31.823 -0.272 0.000 0.968 410 V HN 0.312 nan 8.190 nan 0.000 0.483 411 D N 1.800 121.998 120.400 -0.337 0.000 2.323 411 D HA 0.114 4.754 4.640 0.000 0.000 0.218 411 D C 0.511 176.654 176.300 -0.260 0.000 0.973 411 D CA 0.877 54.708 54.000 -0.282 0.000 0.890 411 D CB 0.741 41.329 40.800 -0.352 0.000 1.011 411 D HN 0.742 nan 8.370 nan 0.000 0.499 412 C N -1.093 117.996 119.300 -0.351 0.000 3.285 412 C HA 0.812 5.272 4.460 0.000 0.000 0.320 412 C C -1.086 173.589 174.990 -0.525 0.000 1.411 412 C CA -1.289 57.555 59.018 -0.291 0.000 1.429 412 C CB 0.833 28.663 27.740 0.149 0.000 1.812 412 C HN -0.007 nan 8.230 nan 0.000 0.454 413 F N 0.220 120.220 119.950 0.083 0.000 2.588 413 F HA 0.644 5.171 4.527 0.000 0.000 0.314 413 F C 0.055 175.876 175.800 0.036 0.000 1.069 413 F CA -0.712 57.325 58.000 0.062 0.000 0.931 413 F CB 1.746 40.765 39.000 0.032 0.000 1.260 413 F HN 0.719 nan 8.300 nan 0.000 0.465 414 K N 1.519 122.048 120.400 0.214 0.000 2.334 414 K HA 0.294 4.614 4.320 0.000 0.000 0.265 414 K C -0.668 175.881 176.600 -0.084 0.000 1.039 414 K CA -0.427 55.856 56.287 -0.007 0.000 0.920 414 K CB 0.777 33.177 32.500 -0.166 0.000 1.160 414 K HN 0.749 nan 8.250 nan 0.000 0.451 415 T N 1.209 115.688 114.554 -0.124 0.000 3.185 415 T HA 0.092 4.442 4.350 0.000 0.000 0.287 415 T C 0.068 174.677 174.700 -0.151 0.000 1.051 415 T CA -0.802 61.178 62.100 -0.201 0.000 1.051 415 T CB 0.222 68.766 68.868 -0.542 0.000 1.034 415 T HN 0.418 nan 8.240 nan 0.000 0.685 416 D N 1.610 121.893 120.400 -0.196 0.000 2.358 416 D HA 0.418 5.058 4.640 0.000 0.000 0.244 416 D C 0.695 177.053 176.300 0.096 0.000 1.163 416 D CA -0.620 53.292 54.000 -0.146 0.000 0.945 416 D CB 0.244 40.964 40.800 -0.132 0.000 1.152 416 D HN 0.458 nan 8.370 nan 0.000 0.451 417 F N -0.390 119.534 119.950 -0.044 0.000 2.044 417 F HA -0.199 4.328 4.527 0.000 0.000 0.285 417 F C 1.731 177.616 175.800 0.141 0.000 0.130 417 F CA 1.331 59.344 58.000 0.021 0.000 0.824 417 F CB -1.373 37.569 39.000 -0.096 0.000 3.705 417 F HN 0.566 nan 8.300 nan 0.000 0.324 418 G N -1.015 108.018 108.800 0.388 0.000 2.168 418 G HA2 -0.162 3.798 3.960 0.000 0.000 0.197 418 G HA3 -0.162 3.798 3.960 0.000 0.000 0.197 418 G C 0.635 175.723 174.900 0.314 0.000 0.997 418 G CA 0.508 45.834 45.100 0.376 0.000 0.658 418 G HN 1.020 nan 8.290 nan 0.000 0.513 419 E N 0.506 120.884 120.200 0.297 0.000 2.166 419 E HA 0.083 4.433 4.350 0.000 0.000 0.192 419 E C 1.429 178.013 176.600 -0.027 0.000 0.967 419 E CA -0.075 56.404 56.400 0.131 0.000 0.840 419 E CB -0.118 29.729 29.700 0.245 0.000 0.795 419 E HN 0.427 nan 8.360 nan 0.000 0.470 420 R N 1.664 122.268 120.500 0.172 0.000 4.556 420 R HA 0.203 4.543 4.340 0.000 0.000 0.197 420 R C -0.299 175.917 176.300 -0.141 0.000 1.791 420 R CA -0.134 56.043 56.100 0.128 0.000 1.526 420 R CB -0.139 30.386 30.300 0.375 0.000 1.410 420 R HN 0.115 nan 8.270 nan 0.000 0.826 421 I N 3.647 124.023 120.570 -0.324 0.000 2.352 421 I HA 0.195 4.365 4.170 0.000 0.000 0.290 421 I C -1.608 174.361 176.117 -0.248 0.000 1.036 421 I CA -3.240 57.825 61.300 -0.391 0.000 1.336 421 I CB 0.616 38.380 38.000 -0.394 0.000 1.407 421 I HN 0.101 nan 8.210 nan 0.000 0.497 422 P HA 0.165 nan 4.420 nan 0.000 0.274 422 P C 0.436 177.610 177.300 -0.210 0.000 1.231 422 P CA -0.075 62.691 63.100 -0.556 0.000 0.790 422 P CB 1.068 31.889 31.700 -1.464 0.000 0.951 423 T N -3.449 111.091 114.554 -0.022 0.000 2.990 423 T HA 0.023 4.373 4.350 0.000 0.000 0.250 423 T C 0.461 175.191 174.700 0.051 0.000 1.041 423 T CA 0.026 62.194 62.100 0.114 0.000 1.010 423 T CB -0.637 68.374 68.868 0.238 0.000 1.003 423 T HN 0.375 nan 8.240 nan 0.000 0.499 424 D N 3.065 123.462 120.400 -0.005 0.000 2.994 424 D HA 0.356 4.996 4.640 0.000 0.000 0.240 424 D C 0.501 176.788 176.300 -0.022 0.000 1.195 424 D CA -0.597 53.420 54.000 0.029 0.000 0.957 424 D CB -0.102 40.751 40.800 0.089 0.000 1.105 424 D HN 0.521 nan 8.370 nan 0.000 0.477 425 V N -3.233 116.624 119.914 -0.095 0.000 3.105 425 V HA 0.637 4.757 4.120 0.000 0.000 0.311 425 V C -1.138 174.860 176.094 -0.160 0.000 1.287 425 V CA -1.252 60.926 62.300 -0.203 0.000 1.066 425 V CB 1.916 33.429 31.823 -0.517 0.000 1.105 425 V HN 0.158 nan 8.190 nan 0.000 0.462 426 Q N 0.128 119.788 119.800 -0.233 0.000 2.444 426 Q HA 0.378 4.718 4.340 0.000 0.000 0.251 426 Q C -1.866 174.062 176.000 -0.121 0.000 0.939 426 Q CA -0.452 55.298 55.803 -0.089 0.000 0.740 426 Q CB 1.280 30.009 28.738 -0.014 0.000 1.308 426 Q HN 0.789 nan 8.270 nan 0.000 0.461 427 W N 2.504 123.847 121.300 0.071 0.000 2.112 427 W HA 0.082 4.742 4.660 0.000 0.000 0.349 427 W C 1.191 177.799 176.519 0.149 0.000 1.289 427 W CA -0.362 57.055 57.345 0.120 0.000 1.256 427 W CB 0.237 29.773 29.460 0.125 0.000 1.148 427 W HN 0.687 nan 8.180 nan 0.000 0.590 428 F N 2.532 122.658 119.950 0.293 0.000 2.095 428 F HA -0.310 4.217 4.527 0.000 0.000 0.298 428 F C 2.164 178.073 175.800 0.181 0.000 1.104 428 F CA 2.409 60.527 58.000 0.195 0.000 1.232 428 F CB -0.356 38.758 39.000 0.190 0.000 0.987 428 F HN 0.392 nan 8.300 nan 0.000 0.475 429 D N -0.851 119.666 120.400 0.195 0.000 2.349 429 D HA 0.097 4.737 4.640 0.000 0.000 0.224 429 D C 1.690 178.016 176.300 0.043 0.000 1.029 429 D CA 0.790 54.812 54.000 0.037 0.000 0.879 429 D CB -0.805 40.085 40.800 0.149 0.000 0.906 429 D HN 0.463 nan 8.370 nan 0.000 0.528 430 G N 0.006 108.876 108.800 0.117 0.000 2.179 430 G HA2 -0.309 3.651 3.960 0.000 0.000 0.257 430 G HA3 -0.309 3.651 3.960 0.000 0.000 0.257 430 G C 0.411 175.387 174.900 0.127 0.000 1.010 430 G CA 0.402 45.572 45.100 0.117 0.000 0.736 430 G HN 0.449 nan 8.290 nan 0.000 0.513 431 S N -0.230 115.550 115.700 0.133 0.000 2.592 431 S HA 0.294 4.764 4.470 0.000 0.000 0.256 431 S C 0.453 175.106 174.600 0.088 0.000 1.369 431 S CA 0.209 58.424 58.200 0.026 0.000 0.984 431 S CB 0.797 63.922 63.200 -0.126 0.000 0.919 431 S HN 0.469 nan 8.310 nan 0.000 0.576 432 D N 0.931 121.348 120.400 0.029 0.000 2.325 432 D HA 0.244 4.884 4.640 0.000 0.000 0.251 432 D C -1.788 174.592 176.300 0.134 0.000 1.196 432 D CA -2.281 51.773 54.000 0.090 0.000 0.866 432 D CB 1.131 41.967 40.800 0.060 0.000 1.101 432 D HN -0.008 nan 8.370 nan 0.000 0.476 433 P HA -0.177 nan 4.420 nan 0.000 0.216 433 P C 1.208 178.695 177.300 0.311 0.000 1.150 433 P CA 1.080 64.405 63.100 0.376 0.000 0.843 433 P CB 0.330 32.227 31.700 0.329 0.000 0.787 434 Q N -0.399 119.561 119.800 0.265 0.000 2.226 434 Q HA -0.115 4.225 4.340 0.000 0.000 0.204 434 Q C 1.761 177.965 176.000 0.340 0.000 0.975 434 Q CA 1.439 57.443 55.803 0.336 0.000 0.866 434 Q CB -0.381 28.491 28.738 0.224 0.000 0.915 434 Q HN 0.429 nan 8.270 nan 0.000 0.440 435 K N -0.957 119.558 120.400 0.191 0.000 2.284 435 K HA 0.157 4.477 4.320 0.000 0.000 0.198 435 K C 1.884 178.534 176.600 0.084 0.000 1.048 435 K CA 0.003 56.359 56.287 0.115 0.000 0.987 435 K CB 0.199 32.688 32.500 -0.018 0.000 0.800 435 K HN 0.064 nan 8.250 nan 0.000 0.486 436 M N 0.459 120.075 119.600 0.026 0.000 2.296 436 M HA -0.108 4.372 4.480 0.000 0.000 0.265 436 M C 1.952 178.279 176.300 0.045 0.000 1.064 436 M CA 1.562 56.801 55.300 -0.101 0.000 1.109 436 M CB -0.843 31.417 32.600 -0.566 0.000 1.396 436 M HN 0.238 nan 8.290 nan 0.000 0.430 437 H N 1.207 120.272 119.070 -0.009 0.000 2.265 437 H HA -0.175 4.381 4.556 0.000 0.000 0.293 437 H C 1.795 177.049 175.328 -0.123 0.000 1.089 437 H CA 2.599 58.535 56.048 -0.185 0.000 1.244 437 H CB 0.156 29.510 29.762 -0.680 0.000 1.355 437 H HN 0.320 nan 8.280 nan 0.000 0.485 438 N N -0.842 117.908 118.700 0.084 0.000 2.207 438 N HA -0.131 4.609 4.740 0.000 0.000 0.182 438 N C 1.876 177.531 175.510 0.241 0.000 1.020 438 N CA 1.241 54.389 53.050 0.163 0.000 0.858 438 N CB -0.631 38.045 38.487 0.315 0.000 0.991 438 N HN 0.498 nan 8.380 nan 0.000 0.427 439 H N -0.180 118.988 119.070 0.164 0.000 2.489 439 H HA -0.087 4.469 4.556 0.000 0.000 0.293 439 H C 1.764 177.207 175.328 0.191 0.000 1.066 439 H CA 1.087 57.244 56.048 0.182 0.000 1.305 439 H CB -0.245 29.560 29.762 0.072 0.000 1.386 439 H HN 0.260 nan 8.280 nan 0.000 0.551 440 Y N 0.289 120.590 120.300 0.002 0.000 2.114 440 Y HA -0.307 4.243 4.550 0.000 0.000 0.282 440 Y C 2.594 178.543 175.900 0.083 0.000 1.165 440 Y CA 1.936 60.033 58.100 -0.003 0.000 1.148 440 Y CB -0.779 37.687 38.460 0.009 0.000 0.972 440 Y HN 0.302 nan 8.280 nan 0.000 0.504 441 A N -0.552 122.432 122.820 0.273 0.000 1.917 441 A HA -0.309 4.011 4.320 0.000 0.000 0.219 441 A C 2.136 179.773 177.584 0.088 0.000 1.182 441 A CA 2.024 54.213 52.037 0.252 0.000 0.633 441 A CB -1.608 17.542 19.000 0.251 0.000 0.819 441 A HN 0.752 nan 8.150 nan 0.000 0.448 442 Y N 0.456 120.702 120.300 -0.090 0.000 2.133 442 Y HA -0.183 4.367 4.550 0.000 0.000 0.287 442 Y C 2.122 177.867 175.900 -0.259 0.000 1.134 442 Y CA 1.681 59.700 58.100 -0.135 0.000 1.133 442 Y CB -0.150 38.141 38.460 -0.282 0.000 0.987 442 Y HN 0.232 nan 8.280 nan 0.000 0.502 443 I N 0.136 120.509 120.570 -0.330 0.000 2.163 443 I HA -0.370 3.800 4.170 0.000 0.000 0.243 443 I C 2.423 178.207 176.117 -0.554 0.000 1.085 443 I CA 1.848 62.913 61.300 -0.391 0.000 1.347 443 I CB -1.788 36.036 38.000 -0.293 0.000 1.044 443 I HN 0.449 nan 8.210 nan 0.000 0.408 444 Y N 2.241 122.117 120.300 -0.706 0.000 2.030 444 Y HA -0.340 4.210 4.550 0.000 0.000 0.274 444 Y C 2.630 178.149 175.900 -0.634 0.000 1.153 444 Y CA 1.802 59.444 58.100 -0.764 0.000 1.115 444 Y CB -0.149 38.071 38.460 -0.400 0.000 0.969 444 Y HN 0.223 nan 8.280 nan 0.000 0.488 445 N N 0.556 118.870 118.700 -0.643 0.000 2.244 445 N HA -0.213 4.527 4.740 0.000 0.000 0.183 445 N C 1.779 176.690 175.510 -0.999 0.000 1.016 445 N CA 1.540 54.136 53.050 -0.757 0.000 0.866 445 N CB -0.360 37.827 38.487 -0.501 0.000 0.980 445 N HN 0.626 nan 8.380 nan 0.000 0.430 446 E N 1.346 120.836 120.200 -1.184 0.000 2.077 446 E HA -0.144 4.206 4.350 0.000 0.000 0.193 446 E C 2.218 178.423 176.600 -0.659 0.000 0.989 446 E CA 0.522 56.143 56.400 -1.299 0.000 0.800 446 E CB -0.095 29.035 29.700 -0.951 0.000 0.746 446 E HN 0.265 nan 8.360 nan 0.000 0.452 447 L N 0.544 121.431 121.223 -0.561 0.000 2.012 447 L HA -0.183 4.158 4.340 0.000 0.000 0.210 447 L C 2.341 179.032 176.870 -0.299 0.000 1.073 447 L CA 1.335 55.928 54.840 -0.411 0.000 0.748 447 L CB -0.237 41.476 42.059 -0.577 0.000 0.891 447 L HN 0.080 nan 8.230 nan 0.000 0.431 448 V N -0.510 119.212 119.914 -0.319 0.000 2.237 448 V HA -0.341 3.779 4.120 0.000 0.000 0.245 448 V C 2.193 178.211 176.094 -0.126 0.000 1.046 448 V CA 2.396 64.578 62.300 -0.197 0.000 1.007 448 V CB -1.150 30.549 31.823 -0.207 0.000 0.638 448 V HN 0.750 nan 8.190 nan 0.000 0.445 449 W N 1.423 122.502 121.300 -0.368 0.000 2.304 449 W HA -0.267 4.393 4.660 0.000 0.000 0.315 449 W C 2.273 178.704 176.519 -0.146 0.000 1.233 449 W CA 2.312 59.502 57.345 -0.258 0.000 1.261 449 W CB -0.508 28.674 29.460 -0.463 0.000 1.150 449 W HN 0.349 nan 8.180 nan 0.000 0.494 450 N N 0.337 119.016 118.700 -0.034 0.000 2.453 450 N HA -0.131 4.609 4.740 0.000 0.000 0.183 450 N C 1.650 177.101 175.510 -0.097 0.000 1.041 450 N CA 1.232 54.259 53.050 -0.039 0.000 0.900 450 N CB -0.562 37.915 38.487 -0.017 0.000 0.961 450 N HN 0.076 nan 8.380 nan 0.000 0.443 451 V N 0.714 120.560 119.914 -0.113 0.000 2.379 451 V HA -0.150 3.970 4.120 0.000 0.000 0.245 451 V C 2.092 178.132 176.094 -0.090 0.000 1.044 451 V CA 1.021 63.269 62.300 -0.085 0.000 1.036 451 V CB -0.245 31.536 31.823 -0.069 0.000 0.664 451 V HN 0.116 nan 8.190 nan 0.000 0.453 452 L N -0.295 120.839 121.223 -0.148 0.000 2.027 452 L HA -0.130 4.210 4.340 0.000 0.000 0.206 452 L C 2.334 179.066 176.870 -0.230 0.000 1.074 452 L CA 1.810 56.530 54.840 -0.201 0.000 0.745 452 L CB -0.934 40.920 42.059 -0.341 0.000 0.898 452 L HN 0.198 nan 8.230 nan 0.000 0.433 453 K N -0.299 119.921 120.400 -0.301 0.000 2.044 453 K HA -0.209 4.111 4.320 0.000 0.000 0.210 453 K C 1.468 178.016 176.600 -0.087 0.000 1.049 453 K CA 1.704 57.883 56.287 -0.180 0.000 0.927 453 K CB -0.195 32.250 32.500 -0.091 0.000 0.713 453 K HN 0.343 nan 8.250 nan 0.000 0.443 454 D N -0.780 119.576 120.400 -0.074 0.000 2.363 454 D HA -0.051 4.589 4.640 0.000 0.000 0.220 454 D C 1.512 177.785 176.300 -0.046 0.000 0.994 454 D CA 1.122 55.095 54.000 -0.046 0.000 0.890 454 D CB 0.488 41.265 40.800 -0.039 0.000 0.906 454 D HN 0.448 nan 8.370 nan 0.000 0.530 455 T N -2.569 111.950 114.554 -0.060 0.000 3.330 455 T HA -0.007 4.343 4.350 0.000 0.000 0.240 455 T C 1.924 176.593 174.700 -0.052 0.000 0.988 455 T CA 0.496 62.565 62.100 -0.051 0.000 1.253 455 T CB -0.526 68.313 68.868 -0.049 0.000 1.163 455 T HN -0.048 nan 8.240 nan 0.000 0.382 456 V N 0.000 119.876 119.914 -0.064 0.000 3.541 456 V HA 0.598 4.718 4.120 0.000 0.000 0.267 456 V C 1.187 177.260 176.094 -0.035 0.000 1.213 456 V CA -0.001 62.270 62.300 -0.050 0.000 1.149 456 V CB -1.382 30.411 31.823 -0.050 0.000 0.822 456 V HN 1.224 nan 8.190 nan 0.000 0.462 457 G N 0.404 109.173 108.800 -0.052 0.000 2.785 457 G HA2 -0.178 3.782 3.960 0.000 0.000 0.686 457 G HA3 -0.178 3.782 3.960 0.000 0.000 0.686 457 G C 0.117 174.985 174.900 -0.052 0.000 1.155 457 G CA 0.157 45.238 45.100 -0.033 0.000 0.760 457 G HN 0.410 nan 8.290 nan 0.000 0.624 458 E N 0.481 120.665 120.200 -0.027 0.000 2.147 458 E HA -0.250 4.100 4.350 0.000 0.000 0.199 458 E C 2.142 178.761 176.600 0.031 0.000 1.005 458 E CA 2.191 58.589 56.400 -0.004 0.000 0.810 458 E CB 0.073 29.825 29.700 0.088 0.000 0.736 458 E HN 0.684 nan 8.360 nan 0.000 0.460 459 E N 0.393 120.626 120.200 0.055 0.000 2.274 459 E HA -0.134 4.216 4.350 0.000 0.000 0.194 459 E C 1.530 178.173 176.600 0.071 0.000 0.996 459 E CA 0.772 57.224 56.400 0.087 0.000 0.840 459 E CB -0.001 29.757 29.700 0.098 0.000 0.772 459 E HN 0.220 nan 8.360 nan 0.000 0.491 460 E N 0.425 120.654 120.200 0.048 0.000 2.447 460 E HA 0.199 4.549 4.350 0.000 0.000 0.195 460 E C 0.352 176.956 176.600 0.007 0.000 1.028 460 E CA 0.337 56.802 56.400 0.109 0.000 0.876 460 E CB 0.077 29.866 29.700 0.149 0.000 0.885 460 E HN 0.227 nan 8.360 nan 0.000 0.500 461 A N 1.347 124.061 122.820 -0.177 0.000 2.498 461 A HA 0.323 4.643 4.320 0.000 0.000 0.239 461 A C 0.143 177.523 177.584 -0.340 0.000 1.068 461 A CA 0.121 51.869 52.037 -0.482 0.000 0.766 461 A CB 0.562 18.869 19.000 -1.155 0.000 1.003 461 A HN 0.032 nan 8.150 nan 0.000 0.497 462 V N 3.356 123.133 119.914 -0.230 0.000 3.174 462 V HA 0.573 4.693 4.120 0.000 0.000 0.280 462 V C -1.343 174.857 176.094 0.177 0.000 1.554 462 V CA -0.547 61.799 62.300 0.076 0.000 1.016 462 V CB 1.656 33.446 31.823 -0.056 0.000 1.197 462 V HN 0.974 nan 8.190 nan 0.000 0.453 463 L N 3.720 125.078 121.223 0.225 0.000 2.301 463 L HA 0.704 5.044 4.340 0.000 0.000 0.249 463 L C -1.661 175.278 176.870 0.115 0.000 1.069 463 L CA -0.684 54.268 54.840 0.186 0.000 0.865 463 L CB 2.367 44.513 42.059 0.145 0.000 1.467 463 L HN 0.606 nan 8.230 nan 0.000 0.419 464 F N 1.089 120.899 119.950 -0.234 0.000 2.824 464 F HA 0.592 5.119 4.527 0.000 0.000 0.375 464 F C 0.077 175.695 175.800 -0.302 0.000 1.190 464 F CA -0.655 57.121 58.000 -0.374 0.000 1.180 464 F CB 1.387 40.056 39.000 -0.551 0.000 1.477 464 F HN 0.344 nan 8.300 nan 0.000 0.542 465 A N 3.576 126.238 122.820 -0.263 0.000 2.290 465 A HA 0.564 4.884 4.320 0.000 0.000 0.310 465 A C 1.172 178.702 177.584 -0.091 0.000 1.202 465 A CA -0.489 51.395 52.037 -0.255 0.000 0.837 465 A CB 0.871 19.598 19.000 -0.455 0.000 1.139 465 A HN 0.841 nan 8.150 nan 0.000 0.509 466 R N 1.172 121.654 120.500 -0.030 0.000 2.156 466 R HA 0.052 4.392 4.340 0.000 0.000 0.207 466 R C 0.681 176.970 176.300 -0.019 0.000 1.040 466 R CA 1.274 57.364 56.100 -0.016 0.000 1.013 466 R CB 0.075 30.302 30.300 -0.121 0.000 0.931 466 R HN 0.822 nan 8.270 nan 0.000 0.465 467 S N -0.932 114.808 115.700 0.068 0.000 2.648 467 S HA 0.861 5.331 4.470 0.000 0.000 0.305 467 S C -0.701 174.023 174.600 0.206 0.000 1.094 467 S CA -0.448 57.854 58.200 0.169 0.000 0.983 467 S CB 2.426 65.755 63.200 0.214 0.000 1.101 467 S HN 0.245 nan 8.310 nan 0.000 0.514 468 A N 0.344 123.292 122.820 0.214 0.000 2.601 468 A HA 0.866 5.186 4.320 0.000 0.000 0.291 468 A C -0.602 177.137 177.584 0.258 0.000 1.075 468 A CA -0.557 51.638 52.037 0.264 0.000 0.671 468 A CB 1.056 20.189 19.000 0.221 0.000 1.277 468 A HN 1.275 nan 8.150 nan 0.000 0.417 469 S N -1.043 114.850 115.700 0.322 0.000 2.638 469 S HA 0.602 5.072 4.470 0.000 0.000 0.274 469 S C -0.846 173.875 174.600 0.202 0.000 1.157 469 S CA -0.275 58.098 58.200 0.288 0.000 0.826 469 S CB 1.491 64.892 63.200 0.336 0.000 1.139 469 S HN 1.508 nan 8.310 nan 0.000 0.474 470 V N 2.924 122.822 119.914 -0.026 0.000 2.555 470 V HA 0.334 4.454 4.120 0.000 0.000 0.299 470 V C 1.689 177.591 176.094 -0.321 0.000 1.012 470 V CA 2.008 64.105 62.300 -0.339 0.000 1.180 470 V CB -0.291 30.870 31.823 -1.103 0.000 0.887 470 V HN 1.434 nan 8.190 nan 0.000 0.476 471 G N 4.228 112.836 108.800 -0.321 0.000 2.238 471 G HA2 -0.177 3.783 3.960 0.000 0.000 0.217 471 G HA3 -0.177 3.783 3.960 0.000 0.000 0.217 471 G C 0.916 175.742 174.900 -0.122 0.000 0.996 471 G CA 0.206 45.125 45.100 -0.301 0.000 0.632 471 G HN 1.315 nan 8.290 nan 0.000 0.503 472 A N 0.984 123.841 122.820 0.062 0.000 2.119 472 A HA 0.136 4.456 4.320 0.000 0.000 0.217 472 A C 2.208 179.660 177.584 -0.221 0.000 1.153 472 A CA 2.093 54.210 52.037 0.132 0.000 0.692 472 A CB -0.353 18.940 19.000 0.489 0.000 0.799 472 A HN 0.934 nan 8.150 nan 0.000 0.458 473 Q N 0.701 120.084 119.800 -0.695 0.000 2.508 473 Q HA -0.149 4.191 4.340 0.000 0.000 0.214 473 Q C 0.895 176.533 176.000 -0.604 0.000 0.979 473 Q CA 1.568 56.832 55.803 -0.899 0.000 0.911 473 Q CB -0.510 27.385 28.738 -1.405 0.000 0.969 473 Q HN 0.665 nan 8.270 nan 0.000 0.504 474 K N 0.123 119.993 120.400 -0.883 0.000 2.487 474 K HA 0.073 4.393 4.320 0.000 0.000 0.192 474 K C -0.450 175.326 176.600 -1.373 0.000 1.027 474 K CA 0.175 55.832 56.287 -1.051 0.000 1.054 474 K CB 0.216 32.012 32.500 -1.172 0.000 0.824 474 K HN 0.117 nan 8.250 nan 0.000 0.510 475 F N 2.143 121.698 119.950 -0.658 0.000 2.438 475 F HA 0.263 4.790 4.527 0.000 0.000 0.315 475 F C -2.252 173.356 175.800 -0.320 0.000 1.258 475 F CA -3.838 53.572 58.000 -0.984 0.000 1.180 475 F CB -0.177 38.507 39.000 -0.528 0.000 1.412 475 F HN -0.176 nan 8.300 nan 0.000 0.544 476 P HA -0.154 nan 4.420 nan 0.000 0.268 476 P C 0.309 177.604 177.300 -0.008 0.000 1.171 476 P CA 0.724 63.882 63.100 0.097 0.000 0.761 476 P CB 1.255 32.969 31.700 0.024 0.000 0.786 477 V N 1.789 121.715 119.914 0.019 0.000 3.677 477 V HA -0.225 3.895 4.120 0.000 0.000 0.479 477 V C -1.339 174.551 176.094 -0.340 0.000 0.682 477 V CA 0.748 62.885 62.300 -0.272 0.000 1.977 477 V CB -1.909 29.396 31.823 -0.864 0.000 2.402 477 V HN 0.746 nan 8.190 nan 0.000 0.501 478 H N 5.913 124.894 119.070 -0.148 0.000 2.457 478 H HA 0.645 5.201 4.556 0.000 0.000 0.335 478 H C -0.304 174.896 175.328 -0.212 0.000 1.115 478 H CA 0.414 56.398 56.048 -0.106 0.000 1.219 478 H CB 1.333 31.071 29.762 -0.039 0.000 1.471 478 H HN 0.909 nan 8.280 nan 0.000 0.491 479 W N 3.592 124.651 121.300 -0.403 0.000 2.390 479 W HA 0.395 5.055 4.660 0.000 0.000 0.312 479 W C 1.054 177.437 176.519 -0.228 0.000 1.123 479 W CA -0.723 56.317 57.345 -0.508 0.000 1.202 479 W CB 1.063 30.241 29.460 -0.471 0.000 1.251 479 W HN 0.781 nan 8.180 nan 0.000 0.511 480 G N 3.606 111.909 108.800 -0.827 0.000 2.527 480 G HA2 0.258 4.218 3.960 0.000 0.000 0.219 480 G HA3 0.258 4.218 3.960 0.000 0.000 0.219 480 G C 0.755 175.285 174.900 -0.615 0.000 1.117 480 G CA 0.779 45.664 45.100 -0.357 0.000 0.759 480 G HN 1.422 nan 8.290 nan 0.000 0.556 481 G N -0.163 107.570 108.800 -1.780 0.000 2.627 481 G HA2 -0.137 3.823 3.960 0.000 0.000 0.214 481 G HA3 -0.137 3.823 3.960 0.000 0.000 0.214 481 G C -1.035 173.344 174.900 -0.869 0.000 1.331 481 G CA -0.230 43.994 45.100 -1.460 0.000 0.891 481 G HN 0.225 nan 8.290 nan 0.000 0.539 482 D N 1.084 121.216 120.400 -0.447 0.000 2.374 482 D HA 0.450 5.090 4.640 0.000 0.000 0.240 482 D C 0.970 177.141 176.300 -0.215 0.000 1.229 482 D CA 0.644 54.436 54.000 -0.347 0.000 0.895 482 D CB -0.038 40.363 40.800 -0.666 0.000 1.046 482 D HN 0.968 nan 8.370 nan 0.000 0.498 483 C N 1.665 120.924 119.300 -0.067 0.000 2.435 483 C HA 0.619 5.079 4.460 0.000 0.000 0.333 483 C C 0.219 175.199 174.990 -0.016 0.000 1.202 483 C CA -1.177 57.845 59.018 0.008 0.000 1.830 483 C CB -0.198 27.691 27.740 0.248 0.000 2.326 483 C HN 0.422 nan 8.230 nan 0.000 0.507 484 Y N 0.724 121.138 120.300 0.190 0.000 2.281 484 Y HA 0.428 4.978 4.550 0.000 0.000 0.337 484 Y C 1.215 177.256 175.900 0.236 0.000 1.304 484 Y CA 0.409 58.617 58.100 0.181 0.000 1.465 484 Y CB 0.671 39.223 38.460 0.154 0.000 1.350 484 Y HN 0.921 nan 8.280 nan 0.000 0.575 485 A N 2.504 125.544 122.820 0.367 0.000 3.168 485 A HA 0.329 4.649 4.320 0.000 0.000 0.260 485 A C -0.649 177.096 177.584 0.269 0.000 1.598 485 A CA -0.254 51.948 52.037 0.274 0.000 1.285 485 A CB -1.767 17.330 19.000 0.161 0.000 1.149 485 A HN 0.807 nan 8.150 nan 0.000 0.630 486 N N -2.916 115.998 118.700 0.357 0.000 2.853 486 N HA 0.445 5.185 4.740 0.000 0.000 0.258 486 N C -0.063 175.563 175.510 0.193 0.000 1.444 486 N CA -0.790 52.356 53.050 0.160 0.000 0.837 486 N CB 0.369 38.954 38.487 0.162 0.000 1.489 486 N HN -0.103 nan 8.380 nan 0.000 0.529 487 Y N -0.207 120.269 120.300 0.293 0.000 2.200 487 Y HA 0.007 4.557 4.550 0.000 0.000 0.290 487 Y C 1.743 177.784 175.900 0.235 0.000 1.137 487 Y CA 1.253 59.518 58.100 0.275 0.000 1.163 487 Y CB -0.469 38.170 38.460 0.299 0.000 0.988 487 Y HN 0.644 nan 8.280 nan 0.000 0.518 488 E N -0.473 119.918 120.200 0.319 0.000 2.097 488 E HA -0.204 4.146 4.350 0.000 0.000 0.196 488 E C 2.439 179.152 176.600 0.188 0.000 1.000 488 E CA 1.645 58.159 56.400 0.190 0.000 0.804 488 E CB -0.529 29.257 29.700 0.143 0.000 0.740 488 E HN 0.217 nan 8.360 nan 0.000 0.454 489 S N -0.705 115.145 115.700 0.250 0.000 2.428 489 S HA -0.037 4.433 4.470 0.000 0.000 0.230 489 S C 1.817 176.592 174.600 0.291 0.000 1.014 489 S CA 0.833 59.214 58.200 0.301 0.000 0.957 489 S CB -0.130 63.327 63.200 0.429 0.000 0.784 489 S HN 0.296 nan 8.310 nan 0.000 0.499 490 M N 0.764 120.432 119.600 0.114 0.000 2.200 490 M HA 0.036 4.516 4.480 0.000 0.000 0.265 490 M C 2.053 178.432 176.300 0.133 0.000 1.066 490 M CA 1.487 56.587 55.300 -0.333 0.000 1.127 490 M CB -0.368 31.832 32.600 -0.667 0.000 1.379 490 M HN 0.450 nan 8.290 nan 0.000 0.420 491 A N 0.337 123.287 122.820 0.216 0.000 1.898 491 A HA -0.162 4.158 4.320 0.000 0.000 0.216 491 A C 1.784 179.404 177.584 0.059 0.000 1.181 491 A CA 1.772 53.809 52.037 0.001 0.000 0.620 491 A CB -0.748 18.056 19.000 -0.327 0.000 0.819 491 A HN 0.650 nan 8.150 nan 0.000 0.442 492 E N -0.361 119.917 120.200 0.130 0.000 2.118 492 E HA -0.177 4.173 4.350 0.000 0.000 0.195 492 E C 2.217 179.016 176.600 0.333 0.000 0.992 492 E CA 1.337 57.857 56.400 0.200 0.000 0.804 492 E CB -0.193 29.619 29.700 0.187 0.000 0.741 492 E HN 0.590 nan 8.360 nan 0.000 0.458 493 S N 0.480 116.389 115.700 0.348 0.000 2.383 493 S HA -0.123 4.347 4.470 0.000 0.000 0.227 493 S C 1.923 176.776 174.600 0.422 0.000 1.026 493 S CA 0.664 59.167 58.200 0.506 0.000 0.981 493 S CB -0.089 63.487 63.200 0.628 0.000 0.818 493 S HN 0.195 nan 8.310 nan 0.000 0.472 494 L N 2.277 123.673 121.223 0.289 0.000 2.056 494 L HA 0.085 4.425 4.340 0.000 0.000 0.207 494 L C 2.379 179.170 176.870 -0.131 0.000 1.078 494 L CA 1.727 56.619 54.840 0.088 0.000 0.749 494 L CB -0.903 41.122 42.059 -0.056 0.000 0.901 494 L HN 0.228 nan 8.230 nan 0.000 0.433 495 R N -0.406 120.066 120.500 -0.047 0.000 2.117 495 R HA -0.140 4.200 4.340 0.000 0.000 0.243 495 R C 2.162 178.335 176.300 -0.212 0.000 1.143 495 R CA 1.294 57.337 56.100 -0.096 0.000 0.968 495 R CB -1.042 29.245 30.300 -0.022 0.000 0.863 495 R HN 0.600 nan 8.270 nan 0.000 0.444 496 G N 0.138 108.831 108.800 -0.178 0.000 2.402 496 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 496 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 496 G C 1.511 175.999 174.900 -0.688 0.000 1.162 496 G CA 0.720 45.568 45.100 -0.421 0.000 0.777 496 G HN 0.449 nan 8.290 nan 0.000 0.539 497 G N 0.854 108.967 108.800 -1.145 0.000 2.422 497 G HA2 -0.124 3.836 3.960 0.000 0.000 0.218 497 G HA3 -0.124 3.836 3.960 0.000 0.000 0.218 497 G C 1.795 176.100 174.900 -0.993 0.000 1.146 497 G CA 0.659 44.497 45.100 -2.103 0.000 0.769 497 G HN 0.410 nan 8.290 nan 0.000 0.547 498 L N 0.638 121.488 121.223 -0.621 0.000 2.017 498 L HA -0.085 4.255 4.340 0.000 0.000 0.208 498 L C 3.198 179.888 176.870 -0.301 0.000 1.073 498 L CA 1.243 55.868 54.840 -0.358 0.000 0.745 498 L CB -0.500 41.427 42.059 -0.219 0.000 0.894 498 L HN 0.176 nan 8.230 nan 0.000 0.432 499 S N -0.013 115.499 115.700 -0.313 0.000 2.383 499 S HA -0.209 4.261 4.470 0.000 0.000 0.229 499 S C 1.942 176.399 174.600 -0.239 0.000 1.030 499 S CA 1.414 59.465 58.200 -0.248 0.000 1.002 499 S CB -0.292 62.736 63.200 -0.287 0.000 0.829 499 S HN 0.341 nan 8.310 nan 0.000 0.467 500 I N 1.071 121.440 120.570 -0.336 0.000 2.439 500 I HA -0.092 4.078 4.170 0.000 0.000 0.251 500 I C 2.220 178.287 176.117 -0.083 0.000 1.139 500 I CA 0.934 62.075 61.300 -0.263 0.000 1.438 500 I CB -0.459 37.287 38.000 -0.423 0.000 1.085 500 I HN 0.378 nan 8.210 nan 0.000 0.427 501 G N 0.686 109.393 108.800 -0.155 0.000 2.408 501 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 501 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 501 G C 1.509 176.362 174.900 -0.078 0.000 1.150 501 G CA 0.232 45.272 45.100 -0.100 0.000 0.776 501 G HN 0.378 nan 8.290 nan 0.000 0.542 502 L N 1.114 122.283 121.223 -0.090 0.000 2.622 502 L HA 0.120 4.460 4.340 0.000 0.000 0.233 502 L C 1.491 178.380 176.870 0.032 0.000 1.156 502 L CA 0.202 55.008 54.840 -0.057 0.000 0.866 502 L CB 0.348 42.358 42.059 -0.081 0.000 0.980 502 L HN 0.093 nan 8.230 nan 0.000 0.448 503 S N -0.764 114.960 115.700 0.040 0.000 2.749 503 S HA 0.350 4.820 4.470 0.000 0.000 0.246 503 S C 1.192 175.786 174.600 -0.010 0.000 1.023 503 S CA 0.386 58.642 58.200 0.095 0.000 1.012 503 S CB 1.125 64.406 63.200 0.136 0.000 0.942 503 S HN 0.524 nan 8.310 nan 0.000 0.531 504 G N 1.275 110.027 108.800 -0.080 0.000 2.176 504 G HA2 -0.233 3.727 3.960 0.000 0.000 0.232 504 G HA3 -0.233 3.727 3.960 0.000 0.000 0.232 504 G C -0.147 174.544 174.900 -0.349 0.000 0.986 504 G CA -0.567 44.438 45.100 -0.160 0.000 0.643 504 G HN 0.450 nan 8.290 nan 0.000 0.522 505 F N 1.064 120.900 119.950 -0.190 0.000 2.405 505 F HA 0.560 5.087 4.527 0.000 0.000 0.355 505 F C 1.579 177.237 175.800 -0.237 0.000 1.121 505 F CA 0.321 58.188 58.000 -0.221 0.000 1.112 505 F CB 1.903 40.755 39.000 -0.246 0.000 1.126 505 F HN 0.004 nan 8.300 nan 0.000 0.481 506 G N 3.018 111.690 108.800 -0.214 0.000 2.683 506 G HA2 0.070 4.030 3.960 0.000 0.000 0.213 506 G HA3 0.070 4.030 3.960 0.000 0.000 0.213 506 G C -0.235 174.170 174.900 -0.825 0.000 1.142 506 G CA 0.328 45.086 45.100 -0.569 0.000 0.793 506 G HN 0.370 nan 8.290 nan 0.000 0.534 507 F N -1.621 118.407 119.950 0.129 0.000 2.561 507 F HA 0.602 5.129 4.527 0.000 0.000 0.313 507 F C -1.090 174.821 175.800 0.185 0.000 1.126 507 F CA -1.637 56.445 58.000 0.136 0.000 0.918 507 F CB 1.823 40.826 39.000 0.004 0.000 1.199 507 F HN 0.022 nan 8.300 nan 0.000 0.444 508 W N 3.141 124.510 121.300 0.113 0.000 2.998 508 W HA 0.692 5.352 4.660 0.000 0.000 0.335 508 W C -1.284 175.209 176.519 -0.042 0.000 1.110 508 W CA -0.957 56.376 57.345 -0.020 0.000 1.230 508 W CB 2.039 31.461 29.460 -0.064 0.000 1.405 508 W HN 0.580 nan 8.180 nan 0.000 0.493 509 S N 3.424 118.656 115.700 -0.779 0.000 2.600 509 S HA 0.877 5.347 4.470 0.000 0.000 0.300 509 S C -1.015 172.992 174.600 -0.989 0.000 1.087 509 S CA -0.713 57.049 58.200 -0.730 0.000 0.965 509 S CB 2.084 64.766 63.200 -0.862 0.000 1.089 509 S HN 0.767 nan 8.310 nan 0.000 0.496 510 H N -1.615 116.984 119.070 -0.785 0.000 3.017 510 H HA 0.676 5.232 4.556 0.000 0.000 0.346 510 H C -1.979 173.272 175.328 -0.129 0.000 1.286 510 H CA -1.165 54.513 56.048 -0.616 0.000 1.120 510 H CB 0.859 30.178 29.762 -0.737 0.000 1.860 510 H HN 0.421 nan 8.280 nan 0.000 0.542 511 D N 1.371 121.761 120.400 -0.017 0.000 2.225 511 D HA 0.239 4.879 4.640 0.000 0.000 0.248 511 D C 0.185 176.250 176.300 -0.391 0.000 1.096 511 D CA -0.316 53.660 54.000 -0.040 0.000 0.863 511 D CB 1.490 42.412 40.800 0.204 0.000 1.156 511 D HN 0.383 nan 8.370 nan 0.000 0.450 512 I N 1.806 122.146 120.570 -0.384 0.000 2.517 512 I HA 0.184 4.354 4.170 0.000 0.000 0.285 512 I C 1.636 177.392 176.117 -0.600 0.000 1.106 512 I CA 0.488 61.468 61.300 -0.533 0.000 1.402 512 I CB 0.470 38.277 38.000 -0.321 0.000 1.399 512 I HN 0.699 nan 8.210 nan 0.000 0.535 513 G N 3.938 112.125 108.800 -1.022 0.000 2.279 513 G HA2 -0.045 3.915 3.960 0.000 0.000 0.223 513 G HA3 -0.045 3.915 3.960 0.000 0.000 0.223 513 G C 0.541 174.945 174.900 -0.826 0.000 1.015 513 G CA -0.147 44.602 45.100 -0.585 0.000 0.621 513 G HN 1.544 nan 8.290 nan 0.000 0.506 514 G N -1.680 106.549 108.800 -0.951 0.000 2.483 514 G HA2 0.300 4.260 3.960 0.000 0.000 0.521 514 G HA3 0.300 4.260 3.960 0.000 0.000 0.521 514 G C 0.068 174.856 174.900 -0.188 0.000 1.278 514 G CA 0.092 44.845 45.100 -0.579 0.000 0.965 514 G HN 1.295 nan 8.290 nan 0.000 0.504 515 F N 0.924 120.770 119.950 -0.173 0.000 2.485 515 F HA 0.382 4.909 4.527 0.000 0.000 0.274 515 F C 1.672 177.407 175.800 -0.108 0.000 0.963 515 F CA 1.451 59.401 58.000 -0.085 0.000 1.169 515 F CB -0.069 38.914 39.000 -0.028 0.000 1.145 515 F HN 0.552 nan 8.300 nan 0.000 0.682 516 E N 1.202 121.497 120.200 0.159 0.000 2.855 516 E HA 0.135 4.485 4.350 0.000 0.000 0.259 516 E C -0.291 176.370 176.600 0.102 0.000 1.390 516 E CA -0.410 56.029 56.400 0.066 0.000 1.069 516 E CB -0.360 29.188 29.700 -0.254 0.000 1.172 516 E HN 0.221 nan 8.360 nan 0.000 0.668 517 N N -1.233 117.586 118.700 0.197 0.000 5.649 517 N HA -0.169 4.571 4.740 0.000 0.000 0.376 517 N C -1.192 174.394 175.510 0.127 0.000 1.050 517 N CA 1.152 54.330 53.050 0.213 0.000 2.496 517 N CB -0.417 38.262 38.487 0.320 0.000 0.593 517 N HN 0.405 nan 8.380 nan 0.000 0.707 518 T N 0.761 115.381 114.554 0.110 0.000 2.770 518 T HA 0.690 5.040 4.350 0.000 0.000 0.297 518 T C -0.069 174.685 174.700 0.090 0.000 0.997 518 T CA -0.099 62.043 62.100 0.069 0.000 0.949 518 T CB 0.853 69.743 68.868 0.036 0.000 0.941 518 T HN 0.637 nan 8.240 nan 0.000 0.457 519 A N 6.219 129.112 122.820 0.122 0.000 2.328 519 A HA 0.690 5.010 4.320 0.000 0.000 0.284 519 A C -2.087 175.590 177.584 0.155 0.000 1.160 519 A CA -1.604 50.510 52.037 0.128 0.000 0.818 519 A CB 0.062 19.151 19.000 0.149 0.000 1.087 519 A HN 0.505 nan 8.150 nan 0.000 0.504 520 P HA 0.160 nan 4.420 nan 0.000 0.272 520 P C 0.935 178.175 177.300 -0.100 0.000 1.230 520 P CA 0.414 63.478 63.100 -0.060 0.000 0.788 520 P CB 0.917 32.447 31.700 -0.283 0.000 0.949 521 A N 2.755 125.592 122.820 0.027 0.000 1.903 521 A HA -0.283 4.037 4.320 0.000 0.000 0.219 521 A C 2.077 179.531 177.584 -0.218 0.000 1.191 521 A CA 2.608 54.565 52.037 -0.133 0.000 0.638 521 A CB -2.134 16.889 19.000 0.039 0.000 0.823 521 A HN 0.839 nan 8.150 nan 0.000 0.451 522 H N -1.645 117.409 119.070 -0.027 0.000 2.353 522 H HA -0.018 4.538 4.556 0.000 0.000 0.300 522 H C 1.647 177.145 175.328 0.283 0.000 1.090 522 H CA 1.435 57.532 56.048 0.083 0.000 1.327 522 H CB -1.049 28.974 29.762 0.435 0.000 1.383 522 H HN 0.122 nan 8.280 nan 0.000 0.508 523 V N 0.630 120.529 119.914 -0.026 0.000 2.343 523 V HA -0.303 3.817 4.120 0.000 0.000 0.247 523 V C 2.344 178.573 176.094 0.226 0.000 1.051 523 V CA 2.132 64.463 62.300 0.053 0.000 1.036 523 V CB -0.916 30.764 31.823 -0.238 0.000 0.654 523 V HN 0.475 nan 8.190 nan 0.000 0.451 524 Y N 1.059 121.307 120.300 -0.086 0.000 2.165 524 Y HA -0.280 4.270 4.550 0.000 0.000 0.286 524 Y C 2.498 178.375 175.900 -0.038 0.000 1.155 524 Y CA 2.129 60.130 58.100 -0.165 0.000 1.164 524 Y CB -0.152 37.874 38.460 -0.724 0.000 0.978 524 Y HN 0.141 nan 8.280 nan 0.000 0.513 525 K N -0.306 120.106 120.400 0.019 0.000 2.026 525 K HA -0.145 4.175 4.320 0.000 0.000 0.208 525 K C 2.152 178.875 176.600 0.206 0.000 1.048 525 K CA 1.401 57.726 56.287 0.063 0.000 0.929 525 K CB -0.082 32.377 32.500 -0.069 0.000 0.713 525 K HN 0.072 nan 8.250 nan 0.000 0.439 526 R N -0.100 120.606 120.500 0.344 0.000 2.091 526 R HA -0.159 4.181 4.340 0.000 0.000 0.238 526 R C 2.002 178.417 176.300 0.192 0.000 1.136 526 R CA 1.092 57.358 56.100 0.278 0.000 0.959 526 R CB -0.768 29.742 30.300 0.351 0.000 0.856 526 R HN 0.455 nan 8.270 nan 0.000 0.437 527 W N 0.791 122.133 121.300 0.071 0.000 2.402 527 W HA -0.146 4.514 4.660 0.000 0.000 0.286 527 W C 2.009 178.477 176.519 -0.086 0.000 1.221 527 W CA 0.228 57.616 57.345 0.071 0.000 1.257 527 W CB -0.478 28.991 29.460 0.016 0.000 1.120 527 W HN 0.068 nan 8.180 nan 0.000 0.551 528 C N 0.055 119.378 119.300 0.039 0.000 2.429 528 C HA -0.152 4.308 4.460 0.000 0.000 0.277 528 C C 3.067 178.001 174.990 -0.094 0.000 1.262 528 C CA 1.711 60.682 59.018 -0.077 0.000 1.733 528 C CB -1.525 26.156 27.740 -0.097 0.000 2.010 528 C HN 0.352 nan 8.230 nan 0.000 0.483 529 A N 0.200 122.857 122.820 -0.270 0.000 1.858 529 A HA -0.173 4.147 4.320 0.000 0.000 0.216 529 A C 1.957 179.434 177.584 -0.179 0.000 1.190 529 A CA 1.721 53.294 52.037 -0.774 0.000 0.617 529 A CB -0.949 17.498 19.000 -0.920 0.000 0.827 529 A HN 0.514 nan 8.150 nan 0.000 0.443 530 F N 1.639 121.519 119.950 -0.116 0.000 2.161 530 F HA -0.089 4.438 4.527 0.000 0.000 0.300 530 F C 2.161 178.130 175.800 0.281 0.000 1.089 530 F CA 1.378 59.434 58.000 0.094 0.000 1.282 530 F CB -0.985 38.031 39.000 0.026 0.000 1.010 530 F HN 0.153 nan 8.300 nan 0.000 0.485 531 G N 0.695 109.484 108.800 -0.017 0.000 2.403 531 G HA2 -0.140 3.820 3.960 0.000 0.000 0.216 531 G HA3 -0.140 3.820 3.960 0.000 0.000 0.216 531 G C 1.619 176.513 174.900 -0.011 0.000 1.154 531 G CA 0.653 45.612 45.100 -0.235 0.000 0.784 531 G HN 0.354 nan 8.290 nan 0.000 0.538 532 L N -0.021 121.240 121.223 0.064 0.000 2.240 532 L HA 0.193 4.533 4.340 0.000 0.000 0.211 532 L C 1.432 178.430 176.870 0.213 0.000 1.106 532 L CA 0.645 55.577 54.840 0.152 0.000 0.793 532 L CB -0.686 41.501 42.059 0.214 0.000 0.927 532 L HN 0.131 nan 8.230 nan 0.000 0.446 533 L N -0.201 121.166 121.223 0.241 0.000 2.955 533 L HA 0.192 4.532 4.340 0.000 0.000 0.238 533 L C 0.338 177.466 176.870 0.430 0.000 1.359 533 L CA 0.347 55.386 54.840 0.332 0.000 1.214 533 L CB -1.045 41.211 42.059 0.329 0.000 1.600 533 L HN 0.028 nan 8.230 nan 0.000 0.442 534 S N -1.996 113.901 115.700 0.329 0.000 2.667 534 S HA 0.369 4.839 4.470 0.000 0.000 0.292 534 S C 1.058 175.824 174.600 0.278 0.000 1.126 534 S CA -0.056 58.331 58.200 0.312 0.000 0.881 534 S CB 1.947 65.320 63.200 0.288 0.000 1.132 534 S HN 0.381 nan 8.310 nan 0.000 0.492 535 S N 0.460 116.345 115.700 0.308 0.000 2.383 535 S HA -0.034 4.436 4.470 0.000 0.000 0.227 535 S C 0.105 174.679 174.600 -0.042 0.000 1.026 535 S CA 1.127 59.532 58.200 0.342 0.000 0.981 535 S CB -0.434 63.133 63.200 0.612 0.000 0.818 535 S HN 0.744 nan 8.310 nan 0.000 0.472 536 H N 0.228 119.308 119.070 0.017 0.000 2.759 536 H HA 0.707 5.263 4.556 0.000 0.000 0.354 536 H C -1.101 174.170 175.328 -0.096 0.000 1.074 536 H CA -0.504 55.468 56.048 -0.128 0.000 1.226 536 H CB 2.078 31.605 29.762 -0.390 0.000 1.648 536 H HN 0.158 nan 8.280 nan 0.000 0.529 537 S N 2.729 118.459 115.700 0.051 0.000 2.526 537 S HA 0.662 5.132 4.470 0.000 0.000 0.293 537 S C -0.636 174.033 174.600 0.115 0.000 1.092 537 S CA -1.029 57.188 58.200 0.028 0.000 0.980 537 S CB 2.233 65.474 63.200 0.068 0.000 1.048 537 S HN 0.588 nan 8.310 nan 0.000 0.483 538 R N 1.970 122.498 120.500 0.048 0.000 2.533 538 R HA 0.437 4.777 4.340 0.000 0.000 0.288 538 R C -1.751 174.579 176.300 0.051 0.000 1.039 538 R CA -0.566 55.603 56.100 0.115 0.000 0.909 538 R CB 0.921 31.284 30.300 0.104 0.000 1.195 538 R HN 0.660 nan 8.270 nan 0.000 0.438 539 L N 4.853 126.125 121.223 0.083 0.000 2.315 539 L HA 0.373 4.713 4.340 0.000 0.000 0.283 539 L C -0.258 176.675 176.870 0.105 0.000 1.089 539 L CA 0.030 54.914 54.840 0.073 0.000 0.833 539 L CB 0.640 42.767 42.059 0.112 0.000 1.170 539 L HN 0.734 nan 8.230 nan 0.000 0.442 540 H N 2.422 121.452 119.070 -0.067 0.000 2.863 540 H HA 0.740 5.296 4.556 0.000 0.000 0.274 540 H C -0.476 174.759 175.328 -0.156 0.000 1.457 540 H CA 0.058 56.032 56.048 -0.123 0.000 1.151 540 H CB 1.537 31.211 29.762 -0.146 0.000 1.844 540 H HN 0.504 nan 8.280 nan 0.000 0.562 541 G N -0.545 107.485 108.800 -1.283 0.000 2.704 541 G HA2 0.354 4.314 3.960 0.000 0.000 0.118 541 G HA3 0.354 4.314 3.960 0.000 0.000 0.118 541 G C -0.443 173.786 174.900 -1.118 0.000 1.197 541 G CA 0.371 44.953 45.100 -0.864 0.000 1.152 541 G HN 0.863 nan 8.290 nan 0.000 0.571 542 S N -1.942 113.478 115.700 -0.467 0.000 2.660 542 S HA 0.243 4.713 4.470 0.000 0.000 0.262 542 S C 1.319 175.980 174.600 0.101 0.000 1.006 542 S CA 1.092 59.228 58.200 -0.108 0.000 1.174 542 S CB -0.131 63.158 63.200 0.149 0.000 0.939 542 S HN 0.421 nan 8.310 nan 0.000 0.438 543 K N 1.410 121.836 120.400 0.043 0.000 2.386 543 K HA 0.324 4.644 4.320 0.000 0.000 0.237 543 K C 0.613 177.237 176.600 0.041 0.000 1.122 543 K CA 0.653 56.983 56.287 0.072 0.000 0.838 543 K CB -0.343 32.205 32.500 0.079 0.000 1.364 543 K HN 0.378 nan 8.250 nan 0.000 0.440 544 S N 1.016 116.715 115.700 -0.001 0.000 2.550 544 S HA -0.121 4.349 4.470 0.000 0.000 0.285 544 S C -0.203 174.412 174.600 0.024 0.000 1.326 544 S CA -0.276 57.908 58.200 -0.027 0.000 1.037 544 S CB -0.020 63.115 63.200 -0.108 0.000 0.838 544 S HN 0.154 nan 8.310 nan 0.000 0.519 545 Y N 1.654 121.870 120.300 -0.140 0.000 2.359 545 Y HA 0.285 4.835 4.550 0.000 0.000 0.334 545 Y C 1.204 177.018 175.900 -0.143 0.000 1.058 545 Y CA -0.864 57.171 58.100 -0.109 0.000 1.244 545 Y CB 0.613 38.985 38.460 -0.147 0.000 1.187 545 Y HN 0.595 nan 8.280 nan 0.000 0.510 546 R N 4.837 125.180 120.500 -0.263 0.000 5.010 546 R HA 0.056 4.396 4.340 0.000 0.000 0.175 546 R C -1.012 175.175 176.300 -0.188 0.000 2.216 546 R CA 0.089 56.123 56.100 -0.110 0.000 1.778 546 R CB -1.752 28.569 30.300 0.035 0.000 1.310 546 R HN 0.380 nan 8.270 nan 0.000 0.814 547 V N -2.109 117.532 119.914 -0.455 0.000 2.376 547 V HA 0.323 4.444 4.120 0.000 0.000 0.287 547 V C -2.025 173.620 176.094 -0.749 0.000 1.015 547 V CA -2.273 59.464 62.300 -0.939 0.000 0.834 547 V CB 2.212 33.193 31.823 -1.403 0.000 1.001 547 V HN -0.017 nan 8.190 nan 0.000 0.428 548 P HA -0.116 nan 4.420 nan 0.000 0.216 548 P C 1.209 178.533 177.300 0.039 0.000 1.153 548 P CA 2.086 65.168 63.100 -0.030 0.000 0.858 548 P CB -0.020 31.827 31.700 0.245 0.000 0.789 549 W N -0.970 120.373 121.300 0.072 0.000 2.825 549 W HA 0.319 4.979 4.660 0.000 0.000 0.243 549 W C 1.720 178.242 176.519 0.005 0.000 1.293 549 W CA 0.448 57.821 57.345 0.046 0.000 1.403 549 W CB -1.617 27.858 29.460 0.025 0.000 1.134 549 W HN -0.157 nan 8.180 nan 0.000 0.666 550 A N -0.013 122.633 122.820 -0.289 0.000 2.066 550 A HA -0.059 4.261 4.320 0.000 0.000 0.218 550 A C 1.563 179.008 177.584 -0.232 0.000 1.157 550 A CA 1.001 52.877 52.037 -0.267 0.000 0.670 550 A CB -0.869 17.876 19.000 -0.425 0.000 0.804 550 A HN 0.478 nan 8.150 nan 0.000 0.453 551 Y N 0.534 120.729 120.300 -0.175 0.000 2.134 551 Y HA 0.155 4.705 4.550 0.000 0.000 0.283 551 Y C 0.765 176.640 175.900 -0.042 0.000 1.108 551 Y CA 1.302 59.315 58.100 -0.145 0.000 1.096 551 Y CB 0.182 38.506 38.460 -0.226 0.000 1.005 551 Y HN 0.604 nan 8.280 nan 0.000 0.487 552 D N -3.789 116.731 120.400 0.201 0.000 2.764 552 D HA 0.058 4.698 4.640 0.000 0.000 0.293 552 D C -0.607 175.798 176.300 0.176 0.000 1.287 552 D CA -0.434 53.657 54.000 0.152 0.000 0.768 552 D CB 0.053 40.924 40.800 0.118 0.000 1.288 552 D HN -0.139 nan 8.370 nan 0.000 0.426 553 D N -0.291 120.198 120.400 0.149 0.000 2.224 553 D HA -0.107 4.533 4.640 0.000 0.000 0.205 553 D C 1.369 177.758 176.300 0.148 0.000 0.965 553 D CA 0.982 55.073 54.000 0.152 0.000 0.852 553 D CB 0.211 41.076 40.800 0.108 0.000 0.947 553 D HN 0.643 nan 8.370 nan 0.000 0.494 554 E N 0.872 121.147 120.200 0.125 0.000 2.051 554 E HA -0.144 4.206 4.350 0.000 0.000 0.192 554 E C 1.898 178.581 176.600 0.138 0.000 0.991 554 E CA 1.079 57.551 56.400 0.120 0.000 0.799 554 E CB 0.160 29.916 29.700 0.094 0.000 0.748 554 E HN -0.044 nan 8.360 nan 0.000 0.449 555 S N -0.268 115.511 115.700 0.131 0.000 2.420 555 S HA -0.218 4.252 4.470 0.000 0.000 0.237 555 S C 1.983 176.743 174.600 0.267 0.000 1.023 555 S CA 1.080 59.395 58.200 0.192 0.000 0.991 555 S CB -0.372 62.930 63.200 0.170 0.000 0.792 555 S HN 0.463 nan 8.310 nan 0.000 0.488 556 C N 1.498 120.953 119.300 0.258 0.000 2.475 556 C HA -0.007 4.453 4.460 0.000 0.000 0.279 556 C C 2.413 177.537 174.990 0.224 0.000 1.322 556 C CA 0.155 59.341 59.018 0.281 0.000 1.734 556 C CB -1.049 26.866 27.740 0.291 0.000 2.005 556 C HN 0.578 nan 8.230 nan 0.000 0.495 557 D N 0.707 121.217 120.400 0.185 0.000 2.097 557 D HA -0.102 4.538 4.640 0.000 0.000 0.197 557 D C 2.195 178.608 176.300 0.188 0.000 0.984 557 D CA 1.132 55.226 54.000 0.158 0.000 0.826 557 D CB -0.654 40.217 40.800 0.118 0.000 0.973 557 D HN 0.267 nan 8.370 nan 0.000 0.460 558 V N 1.305 121.345 119.914 0.210 0.000 2.252 558 V HA -0.248 3.873 4.120 0.000 0.000 0.249 558 V C 2.763 179.094 176.094 0.396 0.000 1.056 558 V CA 1.331 63.813 62.300 0.304 0.000 1.022 558 V CB -0.634 31.390 31.823 0.336 0.000 0.641 558 V HN 0.051 nan 8.190 nan 0.000 0.445 559 V N -0.355 119.748 119.914 0.314 0.000 2.407 559 V HA -0.270 3.850 4.120 0.000 0.000 0.248 559 V C 2.552 178.804 176.094 0.265 0.000 1.055 559 V CA 2.447 64.923 62.300 0.292 0.000 1.049 559 V CB -0.752 31.228 31.823 0.261 0.000 0.662 559 V HN 0.499 nan 8.190 nan 0.000 0.455 560 R N -0.906 119.728 120.500 0.225 0.000 2.073 560 R HA -0.149 4.191 4.340 0.000 0.000 0.229 560 R C 2.256 178.630 176.300 0.122 0.000 1.120 560 R CA 1.701 57.899 56.100 0.162 0.000 0.967 560 R CB -0.370 30.009 30.300 0.132 0.000 0.862 560 R HN 0.460 nan 8.270 nan 0.000 0.436 561 F N 0.431 120.340 119.950 -0.069 0.000 2.046 561 F HA -0.199 4.328 4.527 0.000 0.000 0.297 561 F C 1.491 177.097 175.800 -0.323 0.000 1.123 561 F CA 1.725 59.556 58.000 -0.280 0.000 1.199 561 F CB -0.374 38.337 39.000 -0.481 0.000 0.972 561 F HN -0.039 nan 8.300 nan 0.000 0.474 562 F N 0.022 120.130 119.950 0.262 0.000 2.451 562 F HA -0.084 4.443 4.527 0.000 0.000 0.299 562 F C 2.407 178.244 175.800 0.063 0.000 1.101 562 F CA 1.364 59.441 58.000 0.129 0.000 1.436 562 F CB -1.288 37.843 39.000 0.219 0.000 1.074 562 F HN -0.075 nan 8.300 nan 0.000 0.553 563 T N -1.027 113.656 114.554 0.216 0.000 2.978 563 T HA -0.111 4.239 4.350 0.000 0.000 0.262 563 T C 1.899 176.667 174.700 0.113 0.000 1.063 563 T CA 0.921 63.138 62.100 0.194 0.000 1.140 563 T CB -0.087 68.906 68.868 0.209 0.000 0.886 563 T HN 0.303 nan 8.240 nan 0.000 0.470 564 Q N 0.374 120.174 119.800 -0.001 0.000 2.083 564 Q HA 0.020 4.360 4.340 0.000 0.000 0.198 564 Q C 2.290 178.225 176.000 -0.109 0.000 0.969 564 Q CA 0.861 56.624 55.803 -0.067 0.000 0.838 564 Q CB -0.334 28.306 28.738 -0.163 0.000 0.900 564 Q HN 0.292 nan 8.270 nan 0.000 0.436 565 L N 1.744 122.830 121.223 -0.228 0.000 1.971 565 L HA -0.257 4.083 4.340 0.000 0.000 0.215 565 L C 2.275 179.141 176.870 -0.007 0.000 1.072 565 L CA 2.068 56.780 54.840 -0.215 0.000 0.758 565 L CB -0.539 41.324 42.059 -0.326 0.000 0.889 565 L HN 0.053 nan 8.230 nan 0.000 0.433 566 K N -1.283 119.168 120.400 0.085 0.000 2.113 566 K HA -0.225 4.095 4.320 0.000 0.000 0.208 566 K C 2.102 178.785 176.600 0.139 0.000 1.047 566 K CA 2.017 58.392 56.287 0.146 0.000 0.928 566 K CB -0.432 32.184 32.500 0.193 0.000 0.716 566 K HN 0.568 nan 8.250 nan 0.000 0.446 567 C N 0.560 119.940 119.300 0.134 0.000 2.435 567 C HA 0.026 4.486 4.460 0.000 0.000 0.279 567 C C 2.497 177.634 174.990 0.245 0.000 1.321 567 C CA 0.480 59.611 59.018 0.189 0.000 1.752 567 C CB -0.849 26.977 27.740 0.144 0.000 1.959 567 C HN 0.483 nan 8.230 nan 0.000 0.500 568 R N 0.127 120.709 120.500 0.137 0.000 2.119 568 R HA 0.068 4.408 4.340 0.000 0.000 0.222 568 R C 1.859 178.237 176.300 0.130 0.000 1.088 568 R CA 0.938 57.124 56.100 0.143 0.000 0.984 568 R CB -0.229 30.090 30.300 0.032 0.000 0.884 568 R HN 0.558 nan 8.270 nan 0.000 0.447 569 M N 0.139 119.799 119.600 0.099 0.000 2.618 569 M HA 0.027 4.507 4.480 0.000 0.000 0.240 569 M C 1.433 177.747 176.300 0.023 0.000 1.123 569 M CA 0.419 55.777 55.300 0.097 0.000 1.060 569 M CB 0.135 32.825 32.600 0.149 0.000 1.535 569 M HN 0.034 nan 8.290 nan 0.000 0.507 570 M N 0.083 119.650 119.600 -0.054 0.000 2.279 570 M HA -0.070 4.410 4.480 0.000 0.000 0.264 570 M C -0.748 175.048 176.300 -0.840 0.000 1.062 570 M CA 1.454 56.539 55.300 -0.359 0.000 1.099 570 M CB -2.003 30.479 32.600 -0.197 0.000 1.394 570 M HN 0.010 nan 8.290 nan 0.000 0.426 571 P HA -0.150 nan 4.420 nan 0.000 0.217 571 P C 1.549 178.657 177.300 -0.320 0.000 1.151 571 P CA 1.080 63.793 63.100 -0.645 0.000 0.828 571 P CB -0.264 31.293 31.700 -0.238 0.000 0.788 572 Y N -0.115 120.033 120.300 -0.254 0.000 2.220 572 Y HA -0.098 4.452 4.550 0.000 0.000 0.291 572 Y C 1.902 177.701 175.900 -0.168 0.000 1.129 572 Y CA 1.191 59.205 58.100 -0.144 0.000 1.161 572 Y CB -1.039 37.381 38.460 -0.066 0.000 0.997 572 Y HN -0.253 nan 8.280 nan 0.000 0.522 573 L N -0.610 120.432 121.223 -0.302 0.000 2.017 573 L HA -0.214 4.126 4.340 0.000 0.000 0.208 573 L C 2.182 178.790 176.870 -0.438 0.000 1.073 573 L CA 1.794 56.417 54.840 -0.362 0.000 0.745 573 L CB -1.717 40.235 42.059 -0.178 0.000 0.894 573 L HN 0.337 nan 8.230 nan 0.000 0.432 574 Y N -0.143 119.727 120.300 -0.717 0.000 2.352 574 Y HA -0.221 4.329 4.550 0.000 0.000 0.292 574 Y C 2.726 178.373 175.900 -0.423 0.000 1.136 574 Y CA 1.264 58.943 58.100 -0.702 0.000 1.227 574 Y CB -0.096 37.795 38.460 -0.948 0.000 0.991 574 Y HN 0.106 nan 8.280 nan 0.000 0.545 575 R N 0.776 121.063 120.500 -0.354 0.000 2.066 575 R HA -0.104 4.236 4.340 0.000 0.000 0.232 575 R C 1.902 178.032 176.300 -0.283 0.000 1.131 575 R CA 1.896 57.838 56.100 -0.264 0.000 0.955 575 R CB -0.468 29.720 30.300 -0.187 0.000 0.851 575 R HN 0.160 nan 8.270 nan 0.000 0.432 576 E N 0.345 120.329 120.200 -0.360 0.000 2.153 576 E HA -0.127 4.223 4.350 0.000 0.000 0.194 576 E C 1.805 178.289 176.600 -0.193 0.000 0.988 576 E CA 1.319 57.542 56.400 -0.295 0.000 0.811 576 E CB -0.355 29.113 29.700 -0.387 0.000 0.746 576 E HN 0.474 nan 8.360 nan 0.000 0.466 577 A N 1.343 124.048 122.820 -0.191 0.000 1.969 577 A HA 0.011 4.331 4.320 0.000 0.000 0.218 577 A C 2.395 179.944 177.584 -0.058 0.000 1.169 577 A CA 1.588 53.634 52.037 0.015 0.000 0.635 577 A CB -0.380 18.608 19.000 -0.021 0.000 0.810 577 A HN 0.254 nan 8.150 nan 0.000 0.445 578 A N -0.201 122.478 122.820 -0.236 0.000 2.015 578 A HA -0.122 4.198 4.320 0.000 0.000 0.219 578 A C 2.206 179.727 177.584 -0.104 0.000 1.163 578 A CA 1.301 53.236 52.037 -0.170 0.000 0.646 578 A CB -0.414 18.479 19.000 -0.177 0.000 0.806 578 A HN 0.538 nan 8.150 nan 0.000 0.448 579 R N -0.576 119.851 120.500 -0.123 0.000 2.092 579 R HA -0.068 4.272 4.340 0.000 0.000 0.231 579 R C 2.476 178.699 176.300 -0.128 0.000 1.119 579 R CA 1.122 57.152 56.100 -0.117 0.000 0.970 579 R CB -0.415 29.808 30.300 -0.128 0.000 0.864 579 R HN 0.514 nan 8.270 nan 0.000 0.440 580 A N 1.384 124.111 122.820 -0.155 0.000 1.902 580 A HA -0.221 4.099 4.320 0.000 0.000 0.217 580 A C 1.930 179.423 177.584 -0.151 0.000 1.181 580 A CA 1.603 53.494 52.037 -0.243 0.000 0.623 580 A CB -0.788 17.882 19.000 -0.550 0.000 0.818 580 A HN 0.454 nan 8.150 nan 0.000 0.443 581 N N -0.163 118.511 118.700 -0.043 0.000 2.142 581 N HA -0.105 4.635 4.740 0.000 0.000 0.186 581 N C 1.881 177.355 175.510 -0.060 0.000 1.023 581 N CA 1.221 54.263 53.050 -0.012 0.000 0.852 581 N CB -0.166 38.344 38.487 0.037 0.000 0.998 581 N HN 0.393 nan 8.380 nan 0.000 0.424 582 A N 0.694 123.474 122.820 -0.068 0.000 1.935 582 A HA 0.084 4.404 4.320 0.000 0.000 0.214 582 A C 1.973 179.505 177.584 -0.086 0.000 1.178 582 A CA 0.720 52.715 52.037 -0.071 0.000 0.640 582 A CB 0.027 18.989 19.000 -0.062 0.000 0.825 582 A HN 0.274 nan 8.150 nan 0.000 0.447 583 R N -1.954 118.486 120.500 -0.100 0.000 2.476 583 R HA 0.255 4.595 4.340 0.000 0.000 0.276 583 R C 0.914 177.141 176.300 -0.122 0.000 0.941 583 R CA 0.483 56.521 56.100 -0.103 0.000 1.088 583 R CB 0.537 30.781 30.300 -0.093 0.000 1.216 583 R HN 0.624 nan 8.270 nan 0.000 0.533 584 G N 1.627 110.338 108.800 -0.148 0.000 2.153 584 G HA2 -0.273 3.687 3.960 0.000 0.000 0.252 584 G HA3 -0.273 3.687 3.960 0.000 0.000 0.252 584 G C 0.114 174.912 174.900 -0.170 0.000 0.994 584 G CA 0.626 45.620 45.100 -0.175 0.000 0.698 584 G HN 0.259 nan 8.290 nan 0.000 0.521 585 T N 3.509 117.965 114.554 -0.164 0.000 2.749 585 T HA 0.501 4.851 4.350 0.000 0.000 0.295 585 T C -1.687 172.894 174.700 -0.199 0.000 0.936 585 T CA -0.535 61.473 62.100 -0.154 0.000 1.060 585 T CB 2.111 70.901 68.868 -0.129 0.000 0.904 585 T HN 0.278 nan 8.240 nan 0.000 0.500 586 P HA 0.191 nan 4.420 nan 0.000 0.275 586 P C 0.760 177.971 177.300 -0.148 0.000 1.228 586 P CA -0.411 62.561 63.100 -0.212 0.000 0.786 586 P CB 0.919 32.527 31.700 -0.154 0.000 0.927 587 M N 1.422 120.933 119.600 -0.148 0.000 2.117 587 M HA -0.064 4.416 4.480 0.000 0.000 0.262 587 M C 1.447 177.789 176.300 0.070 0.000 1.065 587 M CA 1.848 57.141 55.300 -0.013 0.000 1.114 587 M CB -0.135 32.526 32.600 0.100 0.000 1.361 587 M HN 0.391 nan 8.290 nan 0.000 0.408 588 M N 1.247 120.878 119.600 0.052 0.000 2.069 588 M HA 0.260 4.740 4.480 0.000 0.000 0.349 588 M C -0.993 175.311 176.300 0.007 0.000 1.194 588 M CA -0.052 55.282 55.300 0.056 0.000 1.081 588 M CB 0.450 32.994 32.600 -0.094 0.000 1.500 588 M HN -0.010 nan 8.290 nan 0.000 0.438 589 R N 3.658 124.216 120.500 0.097 0.000 2.514 589 R HA 0.710 5.050 4.340 0.000 0.000 0.301 589 R C -0.309 176.035 176.300 0.073 0.000 0.962 589 R CA -0.716 55.407 56.100 0.038 0.000 0.882 589 R CB 1.573 31.888 30.300 0.026 0.000 1.143 589 R HN 0.788 nan 8.270 nan 0.000 0.452 590 A N 3.237 126.050 122.820 -0.012 0.000 2.425 590 A HA 0.085 4.405 4.320 0.000 0.000 0.242 590 A C 1.226 178.830 177.584 0.033 0.000 1.077 590 A CA -0.260 51.774 52.037 -0.006 0.000 0.781 590 A CB 0.224 19.159 19.000 -0.109 0.000 1.020 590 A HN 0.766 nan 8.150 nan 0.000 0.494 591 M N 1.449 121.094 119.600 0.075 0.000 2.080 591 M HA -0.208 4.272 4.480 0.000 0.000 0.260 591 M C 2.143 178.523 176.300 0.133 0.000 1.068 591 M CA 2.470 57.867 55.300 0.162 0.000 1.109 591 M CB -1.653 31.015 32.600 0.113 0.000 1.342 591 M HN 0.999 nan 8.290 nan 0.000 0.405 592 M N -0.572 119.021 119.600 -0.012 0.000 2.255 592 M HA -0.206 4.274 4.480 0.000 0.000 0.259 592 M C 2.063 178.287 176.300 -0.126 0.000 1.071 592 M CA 1.947 57.188 55.300 -0.099 0.000 1.074 592 M CB -1.097 31.322 32.600 -0.302 0.000 1.384 592 M HN 0.302 nan 8.290 nan 0.000 0.415 593 M N -0.580 118.937 119.600 -0.138 0.000 2.236 593 M HA -0.087 4.394 4.480 0.000 0.000 0.266 593 M C 1.953 178.181 176.300 -0.119 0.000 1.070 593 M CA 1.884 57.097 55.300 -0.144 0.000 1.137 593 M CB -0.011 32.502 32.600 -0.145 0.000 1.378 593 M HN 0.439 nan 8.290 nan 0.000 0.426 594 E N 0.093 120.238 120.200 -0.091 0.000 2.170 594 E HA -0.018 4.332 4.350 0.000 0.000 0.191 594 E C -0.338 175.915 176.600 -0.578 0.000 0.981 594 E CA 1.026 57.242 56.400 -0.307 0.000 0.830 594 E CB 0.177 29.704 29.700 -0.288 0.000 0.775 594 E HN 0.505 nan 8.360 nan 0.000 0.470 595 F N 0.918 120.877 119.950 0.014 0.000 2.471 595 F HA 0.330 4.857 4.527 0.000 0.000 0.318 595 F C -1.754 174.045 175.800 -0.003 0.000 1.308 595 F CA -2.025 55.993 58.000 0.031 0.000 1.162 595 F CB 1.518 40.567 39.000 0.081 0.000 1.383 595 F HN -0.008 nan 8.300 nan 0.000 0.552 596 P HA -0.159 nan 4.420 nan 0.000 0.223 596 P C 0.456 177.779 177.300 0.038 0.000 1.144 596 P CA 1.469 64.576 63.100 0.011 0.000 0.783 596 P CB 0.478 32.157 31.700 -0.034 0.000 0.771 597 D N -0.916 119.530 120.400 0.076 0.000 2.360 597 D HA -0.001 4.639 4.640 0.000 0.000 0.210 597 D C 0.349 176.700 176.300 0.085 0.000 1.047 597 D CA 0.343 54.385 54.000 0.070 0.000 0.854 597 D CB -0.003 40.838 40.800 0.068 0.000 0.936 597 D HN 0.154 nan 8.370 nan 0.000 0.514 598 D N 1.876 122.349 120.400 0.121 0.000 2.336 598 D HA 0.046 4.686 4.640 0.000 0.000 0.249 598 D C -1.365 174.950 176.300 0.025 0.000 1.213 598 D CA -1.819 52.238 54.000 0.096 0.000 0.870 598 D CB 1.877 42.763 40.800 0.144 0.000 1.076 598 D HN -0.018 nan 8.370 nan 0.000 0.483 599 P HA -0.056 nan 4.420 nan 0.000 0.230 599 P C 0.732 177.994 177.300 -0.063 0.000 1.158 599 P CA 0.337 63.429 63.100 -0.013 0.000 0.769 599 P CB 0.318 32.021 31.700 0.005 0.000 0.807 600 A N -0.885 121.829 122.820 -0.178 0.000 2.169 600 A HA 0.017 4.337 4.320 0.000 0.000 0.212 600 A C 1.982 179.330 177.584 -0.393 0.000 1.153 600 A CA 0.568 52.364 52.037 -0.402 0.000 0.756 600 A CB -1.133 17.262 19.000 -1.008 0.000 0.813 600 A HN 0.263 nan 8.150 nan 0.000 0.471 601 C N -0.185 118.988 119.300 -0.212 0.000 2.791 601 C HA 0.110 4.570 4.460 0.000 0.000 0.270 601 C C 1.668 176.642 174.990 -0.027 0.000 1.257 601 C CA -0.274 58.684 59.018 -0.099 0.000 1.699 601 C CB -0.874 26.867 27.740 0.001 0.000 1.904 601 C HN 0.536 nan 8.230 nan 0.000 0.603 602 D N 1.041 121.422 120.400 -0.031 0.000 2.104 602 D HA -0.124 4.516 4.640 0.000 0.000 0.194 602 D C 0.964 177.182 176.300 -0.138 0.000 0.994 602 D CA 1.688 55.626 54.000 -0.103 0.000 0.830 602 D CB -0.116 40.536 40.800 -0.247 0.000 0.959 602 D HN 0.580 nan 8.370 nan 0.000 0.452 603 Y N -0.117 120.220 120.300 0.062 0.000 2.555 603 Y HA 0.293 4.843 4.550 0.000 0.000 0.259 603 Y C 0.356 176.291 175.900 0.059 0.000 1.179 603 Y CA -0.371 57.762 58.100 0.055 0.000 1.230 603 Y CB 0.124 38.592 38.460 0.012 0.000 1.146 603 Y HN -0.217 nan 8.280 nan 0.000 0.526 604 L N 2.498 123.822 121.223 0.169 0.000 2.433 604 L HA 0.078 4.418 4.340 0.000 0.000 0.275 604 L C 0.304 177.230 176.870 0.094 0.000 1.128 604 L CA 0.184 55.098 54.840 0.124 0.000 0.875 604 L CB 0.478 42.566 42.059 0.049 0.000 1.171 604 L HN 0.310 nan 8.230 nan 0.000 0.463 605 D N 1.080 121.526 120.400 0.077 0.000 2.498 605 D HA -0.016 4.624 4.640 0.000 0.000 0.223 605 D C 1.319 177.618 176.300 -0.003 0.000 1.125 605 D CA -0.032 53.986 54.000 0.031 0.000 0.835 605 D CB 0.247 41.051 40.800 0.008 0.000 1.086 605 D HN 0.336 nan 8.370 nan 0.000 0.510 606 R N 0.307 120.808 120.500 0.002 0.000 2.317 606 R HA 0.201 4.541 4.340 0.000 0.000 0.208 606 R C 0.397 176.776 176.300 0.131 0.000 0.914 606 R CA 0.216 56.301 56.100 -0.025 0.000 1.060 606 R CB 0.168 30.410 30.300 -0.097 0.000 1.015 606 R HN 0.458 nan 8.270 nan 0.000 0.498 607 Q N -0.239 119.634 119.800 0.121 0.000 2.553 607 Q HA 0.479 4.819 4.340 0.000 0.000 0.293 607 Q C -1.248 174.869 176.000 0.194 0.000 1.038 607 Q CA -1.223 54.634 55.803 0.089 0.000 0.777 607 Q CB 1.680 30.409 28.738 -0.015 0.000 1.487 607 Q HN 0.073 nan 8.270 nan 0.000 0.426 608 Y N -2.227 118.081 120.300 0.013 0.000 2.750 608 Y HA 0.690 5.240 4.550 0.000 0.000 0.335 608 Y C -1.591 174.353 175.900 0.073 0.000 1.252 608 Y CA -1.597 56.526 58.100 0.040 0.000 1.064 608 Y CB 1.328 39.817 38.460 0.047 0.000 1.321 608 Y HN 0.502 nan 8.280 nan 0.000 0.451 609 M N 2.838 122.606 119.600 0.279 0.000 2.205 609 M HA 0.354 4.834 4.480 0.000 0.000 0.344 609 M C -1.390 175.104 176.300 0.323 0.000 1.085 609 M CA -0.732 54.700 55.300 0.220 0.000 1.001 609 M CB 1.559 34.299 32.600 0.235 0.000 1.626 609 M HN 0.728 nan 8.290 nan 0.000 0.442 610 L N 3.956 125.347 121.223 0.279 0.000 2.314 610 L HA 0.669 5.009 4.340 0.000 0.000 0.275 610 L C 0.367 177.400 176.870 0.271 0.000 1.068 610 L CA 0.659 55.699 54.840 0.333 0.000 0.894 610 L CB -0.132 42.141 42.059 0.356 0.000 1.275 610 L HN 0.943 nan 8.230 nan 0.000 0.432 611 G N 3.600 112.493 108.800 0.155 0.000 2.796 611 G HA2 -0.233 3.727 3.960 0.000 0.000 0.571 611 G HA3 -0.233 3.727 3.960 0.000 0.000 0.571 611 G C 0.280 175.261 174.900 0.135 0.000 1.370 611 G CA -0.138 44.993 45.100 0.053 0.000 0.856 611 G HN 0.496 nan 8.290 nan 0.000 0.538 612 D N 0.349 120.806 120.400 0.095 0.000 2.117 612 D HA -0.096 4.545 4.640 0.000 0.000 0.197 612 D C 1.996 178.372 176.300 0.128 0.000 0.987 612 D CA 1.595 55.638 54.000 0.072 0.000 0.829 612 D CB -0.036 40.781 40.800 0.028 0.000 0.961 612 D HN 0.411 nan 8.370 nan 0.000 0.460 613 N N 0.154 118.984 118.700 0.217 0.000 2.280 613 N HA 0.016 4.756 4.740 0.000 0.000 0.192 613 N C 0.176 175.728 175.510 0.070 0.000 1.109 613 N CA 0.051 53.154 53.050 0.088 0.000 0.855 613 N CB 1.952 40.420 38.487 -0.031 0.000 0.974 613 N HN 0.076 nan 8.380 nan 0.000 0.482 614 V N 1.178 121.197 119.914 0.174 0.000 2.638 614 V HA 0.470 4.590 4.120 0.000 0.000 0.306 614 V C -1.014 175.169 176.094 0.149 0.000 1.052 614 V CA -0.848 61.529 62.300 0.128 0.000 0.885 614 V CB 2.382 34.194 31.823 -0.019 0.000 0.999 614 V HN -0.087 nan 8.190 nan 0.000 0.424 615 M N 7.468 127.140 119.600 0.121 0.000 2.157 615 M HA 0.578 5.058 4.480 0.000 0.000 0.354 615 M C -1.332 174.817 176.300 -0.251 0.000 1.170 615 M CA -0.335 54.919 55.300 -0.078 0.000 1.060 615 M CB 1.170 33.634 32.600 -0.227 0.000 1.615 615 M HN 0.848 nan 8.290 nan 0.000 0.460 616 V N 5.302 124.948 119.914 -0.447 0.000 2.487 616 V HA 0.892 5.012 4.120 0.000 0.000 0.298 616 V C -1.094 174.666 176.094 -0.556 0.000 1.028 616 V CA -0.362 61.626 62.300 -0.521 0.000 0.860 616 V CB 1.452 32.983 31.823 -0.488 0.000 0.991 616 V HN 0.979 nan 8.190 nan 0.000 0.427 617 A N 7.807 130.379 122.820 -0.412 0.000 2.399 617 A HA 0.850 5.171 4.320 0.000 0.000 0.327 617 A C -2.729 174.716 177.584 -0.233 0.000 1.367 617 A CA -1.754 50.120 52.037 -0.272 0.000 0.842 617 A CB 0.655 19.481 19.000 -0.291 0.000 1.142 617 A HN 0.749 nan 8.150 nan 0.000 0.495 618 P HA 0.150 nan 4.420 nan 0.000 0.268 618 P C -0.280 176.771 177.300 -0.414 0.000 1.208 618 P CA 0.070 62.954 63.100 -0.360 0.000 0.777 618 P CB 0.744 32.065 31.700 -0.632 0.000 0.875 619 V N 3.379 123.033 119.914 -0.432 0.000 2.407 619 V HA 0.189 4.309 4.120 0.000 0.000 0.278 619 V C 0.402 176.163 176.094 -0.554 0.000 1.037 619 V CA 0.305 62.419 62.300 -0.309 0.000 0.900 619 V CB 0.194 31.914 31.823 -0.173 0.000 0.983 619 V HN 0.461 nan 8.190 nan 0.000 0.459 620 F N 2.431 122.211 119.950 -0.283 0.000 2.708 620 F HA 0.261 4.788 4.527 0.000 0.000 0.300 620 F C 1.070 176.311 175.800 -0.931 0.000 1.118 620 F CA -0.232 57.460 58.000 -0.513 0.000 1.307 620 F CB 0.612 39.477 39.000 -0.225 0.000 0.986 620 F HN 0.588 nan 8.300 nan 0.000 0.522 621 T N -4.622 109.540 114.554 -0.654 0.000 2.906 621 T HA 0.296 4.646 4.350 0.000 0.000 0.295 621 T C 0.697 175.240 174.700 -0.261 0.000 1.075 621 T CA -0.668 61.166 62.100 -0.444 0.000 1.005 621 T CB 2.412 71.201 68.868 -0.132 0.000 1.136 621 T HN 0.145 nan 8.240 nan 0.000 0.498 622 E N 0.779 120.964 120.200 -0.025 0.000 2.046 622 E HA -0.039 4.311 4.350 0.000 0.000 0.190 622 E C 2.283 178.868 176.600 -0.025 0.000 0.982 622 E CA 1.056 57.458 56.400 0.003 0.000 0.800 622 E CB -0.406 29.132 29.700 -0.270 0.000 0.756 622 E HN 0.811 nan 8.360 nan 0.000 0.449 623 A N 0.108 122.904 122.820 -0.040 0.000 2.131 623 A HA -0.036 4.284 4.320 0.000 0.000 0.220 623 A C 1.830 179.367 177.584 -0.079 0.000 1.158 623 A CA 1.598 53.609 52.037 -0.042 0.000 0.665 623 A CB -0.678 18.312 19.000 -0.016 0.000 0.795 623 A HN 0.550 nan 8.150 nan 0.000 0.460 624 G N -1.213 107.534 108.800 -0.088 0.000 2.144 624 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 624 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 624 G C -0.380 174.528 174.900 0.015 0.000 0.988 624 G CA 0.121 45.174 45.100 -0.078 0.000 0.659 624 G HN 0.498 nan 8.290 nan 0.000 0.522 625 D N 0.124 120.533 120.400 0.015 0.000 2.350 625 D HA 0.480 5.120 4.640 0.000 0.000 0.249 625 D C -0.028 176.328 176.300 0.094 0.000 1.119 625 D CA 0.474 54.513 54.000 0.065 0.000 0.886 625 D CB 2.323 43.150 40.800 0.044 0.000 1.195 625 D HN 0.415 nan 8.370 nan 0.000 0.437 626 V N 2.396 122.414 119.914 0.172 0.000 2.851 626 V HA 0.235 4.355 4.120 0.000 0.000 0.307 626 V C -1.621 174.680 176.094 0.345 0.000 1.129 626 V CA -0.564 61.869 62.300 0.220 0.000 0.932 626 V CB 2.222 34.143 31.823 0.162 0.000 1.024 626 V HN 0.445 nan 8.190 nan 0.000 0.426 627 Q N 5.582 125.596 119.800 0.357 0.000 2.333 627 Q HA 0.742 5.082 4.340 0.000 0.000 0.267 627 Q C -1.444 174.893 176.000 0.563 0.000 1.012 627 Q CA -0.465 55.584 55.803 0.411 0.000 0.824 627 Q CB 2.544 31.460 28.738 0.297 0.000 1.290 627 Q HN 0.750 nan 8.270 nan 0.000 0.449 628 F N -0.800 119.285 119.950 0.225 0.000 2.631 628 F HA 0.564 5.092 4.527 0.000 0.000 0.308 628 F C -1.686 173.787 175.800 -0.543 0.000 1.097 628 F CA -1.435 56.483 58.000 -0.136 0.000 0.952 628 F CB 0.992 39.907 39.000 -0.141 0.000 1.307 628 F HN 0.449 nan 8.300 nan 0.000 0.450 629 Y N 2.811 122.404 120.300 -1.177 0.000 2.334 629 Y HA 0.740 5.290 4.550 0.000 0.000 0.328 629 Y C -1.694 173.726 175.900 -0.799 0.000 1.130 629 Y CA -1.232 56.043 58.100 -1.375 0.000 1.163 629 Y CB 1.518 38.987 38.460 -1.652 0.000 1.207 629 Y HN 0.767 nan 8.280 nan 0.000 0.471 630 L N 8.949 129.205 121.223 -1.612 0.000 2.356 630 L HA 0.599 4.939 4.340 0.000 0.000 0.277 630 L C -2.398 173.570 176.870 -1.502 0.000 0.996 630 L CA -2.745 51.255 54.840 -1.399 0.000 0.822 630 L CB 1.631 43.063 42.059 -1.044 0.000 1.256 630 L HN 0.575 nan 8.230 nan 0.000 0.413 631 P HA 0.066 nan 4.420 nan 0.000 0.282 631 P C -0.779 176.478 177.300 -0.071 0.000 1.286 631 P CA -0.504 62.287 63.100 -0.515 0.000 0.777 631 P CB 0.405 31.539 31.700 -0.944 0.000 1.184 632 E N -0.113 120.108 120.200 0.035 0.000 2.452 632 E HA 0.325 4.675 4.350 0.000 0.000 0.261 632 E C 0.126 176.804 176.600 0.131 0.000 0.987 632 E CA 0.493 56.948 56.400 0.093 0.000 0.926 632 E CB -0.446 29.311 29.700 0.093 0.000 0.934 632 E HN 0.625 nan 8.360 nan 0.000 0.452 633 G N 3.080 111.929 108.800 0.081 0.000 2.347 633 G HA2 -0.094 3.866 3.960 0.000 0.000 0.477 633 G HA3 -0.094 3.866 3.960 0.000 0.000 0.477 633 G C -1.294 173.614 174.900 0.014 0.000 1.349 633 G CA -0.650 44.420 45.100 -0.049 0.000 1.000 633 G HN 0.596 nan 8.290 nan 0.000 0.605 634 R N -0.068 120.374 120.500 -0.096 0.000 2.239 634 R HA 0.545 4.885 4.340 0.000 0.000 0.332 634 R C -0.807 175.480 176.300 -0.020 0.000 0.988 634 R CA -0.733 55.376 56.100 0.016 0.000 0.859 634 R CB 0.403 30.706 30.300 0.005 0.000 1.148 634 R HN 0.461 nan 8.270 nan 0.000 0.482 635 W N 2.288 123.553 121.300 -0.059 0.000 2.303 635 W HA 0.346 5.006 4.660 0.000 0.000 0.334 635 W C -0.008 176.578 176.519 0.111 0.000 1.197 635 W CA -0.232 57.102 57.345 -0.017 0.000 1.262 635 W CB 1.694 31.079 29.460 -0.125 0.000 1.153 635 W HN 0.310 nan 8.180 nan 0.000 0.596 636 T N 2.083 116.900 114.554 0.439 0.000 2.812 636 T HA 0.067 4.417 4.350 0.000 0.000 0.282 636 T C -0.653 174.280 174.700 0.389 0.000 0.990 636 T CA -0.605 61.765 62.100 0.450 0.000 0.960 636 T CB 0.677 69.842 68.868 0.494 0.000 0.948 636 T HN 0.259 nan 8.240 nan 0.000 0.438 637 H N 3.603 122.777 119.070 0.173 0.000 3.046 637 H HA 0.048 4.604 4.556 0.000 0.000 0.303 637 H C 1.083 176.258 175.328 -0.255 0.000 1.002 637 H CA -0.541 55.223 56.048 -0.473 0.000 1.460 637 H CB 0.636 30.020 29.762 -0.631 0.000 1.493 637 H HN 0.535 nan 8.280 nan 0.000 0.559 638 L N 6.018 127.042 121.223 -0.331 0.000 2.103 638 L HA -0.235 4.105 4.340 0.000 0.000 0.215 638 L C 1.564 178.626 176.870 0.320 0.000 1.080 638 L CA 2.543 57.392 54.840 0.016 0.000 0.764 638 L CB -0.407 41.646 42.059 -0.010 0.000 0.890 638 L HN 0.859 nan 8.230 nan 0.000 0.435 639 W N -5.655 115.830 121.300 0.307 0.000 2.520 639 W HA 0.296 4.956 4.660 0.000 0.000 0.272 639 W C 1.668 178.277 176.519 0.150 0.000 0.984 639 W CA -0.119 57.323 57.345 0.161 0.000 1.314 639 W CB -0.657 28.862 29.460 0.099 0.000 0.945 639 W HN -0.078 nan 8.180 nan 0.000 0.596 640 H N 1.095 119.944 119.070 -0.367 0.000 2.544 640 H HA 0.099 4.655 4.556 0.000 0.000 0.269 640 H C 0.884 176.168 175.328 -0.073 0.000 0.970 640 H CA 0.866 56.699 56.048 -0.359 0.000 1.219 640 H CB -0.251 29.022 29.762 -0.816 0.000 1.421 640 H HN 0.173 nan 8.280 nan 0.000 0.555 641 N N 0.950 119.749 118.700 0.166 0.000 2.857 641 N HA -0.175 4.565 4.740 0.000 0.000 0.242 641 N C -0.545 175.080 175.510 0.192 0.000 0.983 641 N CA 1.129 54.299 53.050 0.200 0.000 0.934 641 N CB -0.859 37.725 38.487 0.162 0.000 1.115 641 N HN 0.660 nan 8.380 nan 0.000 0.593 642 D N 0.194 120.707 120.400 0.190 0.000 2.360 642 D HA 0.150 4.790 4.640 0.000 0.000 0.242 642 D C 0.005 176.471 176.300 0.277 0.000 1.184 642 D CA 0.363 54.475 54.000 0.187 0.000 0.930 642 D CB 0.808 41.699 40.800 0.152 0.000 1.161 642 D HN 0.341 nan 8.370 nan 0.000 0.447 643 E N -0.375 119.943 120.200 0.197 0.000 2.312 643 E HA 0.656 5.006 4.350 0.000 0.000 0.267 643 E C -0.683 175.954 176.600 0.061 0.000 0.894 643 E CA -0.933 55.575 56.400 0.179 0.000 0.773 643 E CB 2.401 32.184 29.700 0.137 0.000 1.241 643 E HN 0.348 nan 8.360 nan 0.000 0.432 644 L N 1.030 122.248 121.223 -0.009 0.000 2.424 644 L HA 0.412 4.752 4.340 0.000 0.000 0.258 644 L C -1.004 175.857 176.870 -0.015 0.000 0.995 644 L CA -1.118 53.620 54.840 -0.171 0.000 0.821 644 L CB 2.205 43.888 42.059 -0.627 0.000 1.383 644 L HN 0.390 nan 8.230 nan 0.000 0.410 645 D N 1.245 121.662 120.400 0.028 0.000 2.264 645 D HA 0.363 5.003 4.640 0.000 0.000 0.250 645 D C 0.271 176.638 176.300 0.113 0.000 1.113 645 D CA 0.075 54.130 54.000 0.091 0.000 0.871 645 D CB 2.138 42.977 40.800 0.065 0.000 1.167 645 D HN 0.654 nan 8.370 nan 0.000 0.447 646 G N 0.003 108.870 108.800 0.112 0.000 2.570 646 G HA2 0.241 4.201 3.960 0.000 0.000 0.276 646 G HA3 0.241 4.201 3.960 0.000 0.000 0.276 646 G C 0.267 175.083 174.900 -0.141 0.000 1.346 646 G CA -0.282 44.810 45.100 -0.012 0.000 1.034 646 G HN 0.501 nan 8.290 nan 0.000 0.512 647 S N -1.793 113.748 115.700 -0.265 0.000 3.561 647 S HA -0.183 4.287 4.470 0.000 0.000 0.318 647 S C 0.368 174.915 174.600 -0.087 0.000 1.181 647 S CA 1.739 59.873 58.200 -0.111 0.000 0.916 647 S CB -1.477 61.733 63.200 0.017 0.000 0.966 647 S HN 1.194 nan 8.310 nan 0.000 0.550 648 R N -1.996 118.253 120.500 -0.418 0.000 2.712 648 R HA 0.569 4.909 4.340 0.000 0.000 0.272 648 R C -1.582 174.366 176.300 -0.587 0.000 1.032 648 R CA -1.145 54.791 56.100 -0.274 0.000 0.874 648 R CB 0.338 30.467 30.300 -0.285 0.000 1.256 648 R HN 0.107 nan 8.270 nan 0.000 0.468 649 W N 1.183 122.231 121.300 -0.421 0.000 2.313 649 W HA 0.424 5.084 4.660 0.000 0.000 0.328 649 W C 0.225 176.244 176.519 -0.833 0.000 1.197 649 W CA 0.421 57.473 57.345 -0.490 0.000 1.235 649 W CB 0.918 30.242 29.460 -0.226 0.000 1.158 649 W HN 0.314 nan 8.180 nan 0.000 0.578 650 H N 1.723 120.522 119.070 -0.451 0.000 2.717 650 H HA 0.333 4.889 4.556 0.000 0.000 0.366 650 H C -1.008 174.129 175.328 -0.318 0.000 1.132 650 H CA -1.128 54.607 56.048 -0.522 0.000 1.180 650 H CB 2.358 31.563 29.762 -0.928 0.000 1.678 650 H HN 0.246 nan 8.280 nan 0.000 0.537 651 K N 2.380 122.817 120.400 0.061 0.000 2.323 651 K HA 0.368 4.688 4.320 0.000 0.000 0.259 651 K C -0.866 175.861 176.600 0.211 0.000 0.947 651 K CA -0.390 55.984 56.287 0.145 0.000 0.819 651 K CB 1.437 33.989 32.500 0.087 0.000 1.109 651 K HN 0.618 nan 8.250 nan 0.000 0.429 652 Q N 1.762 121.748 119.800 0.310 0.000 2.615 652 Q HA 0.272 4.612 4.340 0.000 0.000 0.298 652 Q C -1.628 174.515 176.000 0.239 0.000 1.023 652 Q CA -1.032 54.944 55.803 0.287 0.000 0.768 652 Q CB 2.829 31.854 28.738 0.478 0.000 1.500 652 Q HN 0.530 nan 8.270 nan 0.000 0.441 653 Q N 0.712 120.576 119.800 0.107 0.000 2.304 653 Q HA 0.372 4.713 4.340 0.000 0.000 0.270 653 Q C -1.709 174.251 176.000 -0.067 0.000 1.035 653 Q CA -0.341 55.504 55.803 0.070 0.000 0.781 653 Q CB 1.432 30.172 28.738 0.003 0.000 1.261 653 Q HN 0.612 nan 8.270 nan 0.000 0.444 654 H N 1.603 120.663 119.070 -0.016 0.000 2.690 654 H HA 0.483 5.039 4.556 0.000 0.000 0.368 654 H C -0.237 175.023 175.328 -0.112 0.000 1.150 654 H CA -0.716 55.322 56.048 -0.017 0.000 1.174 654 H CB 2.186 31.967 29.762 0.031 0.000 1.684 654 H HN 0.854 nan 8.280 nan 0.000 0.538 655 G N 0.136 108.942 108.800 0.010 0.000 2.557 655 G HA2 0.188 4.148 3.960 0.000 0.000 0.292 655 G HA3 0.188 4.148 3.960 0.000 0.000 0.292 655 G C 0.117 174.958 174.900 -0.098 0.000 1.237 655 G CA -0.472 44.548 45.100 -0.134 0.000 0.978 655 G HN 0.470 nan 8.290 nan 0.000 0.498 656 F N -1.032 119.013 119.950 0.157 0.000 2.583 656 F HA 0.063 4.590 4.527 0.000 0.000 0.297 656 F C 2.106 178.030 175.800 0.207 0.000 1.131 656 F CA 0.314 58.425 58.000 0.185 0.000 1.467 656 F CB -0.033 39.071 39.000 0.172 0.000 1.097 656 F HN 0.151 nan 8.300 nan 0.000 0.586 657 L N -1.554 119.798 121.223 0.216 0.000 2.640 657 L HA 0.258 4.598 4.340 0.000 0.000 0.230 657 L C 0.580 177.480 176.870 0.049 0.000 1.123 657 L CA 0.205 54.993 54.840 -0.088 0.000 0.900 657 L CB 0.008 41.842 42.059 -0.375 0.000 1.146 657 L HN 0.008 nan 8.230 nan 0.000 0.484 658 S N -0.409 115.538 115.700 0.411 0.000 2.618 658 S HA 0.829 5.299 4.470 0.000 0.000 0.277 658 S C -1.295 173.581 174.600 0.461 0.000 1.138 658 S CA -0.603 57.987 58.200 0.651 0.000 0.844 658 S CB 1.306 64.916 63.200 0.684 0.000 1.127 658 S HN 0.166 nan 8.310 nan 0.000 0.474 659 L N -0.866 120.519 121.223 0.269 0.000 2.794 659 L HA 0.706 5.046 4.340 0.000 0.000 0.261 659 L C -3.182 173.386 176.870 -0.503 0.000 0.989 659 L CA -2.280 52.337 54.840 -0.371 0.000 0.900 659 L CB 1.601 43.558 42.059 -0.171 0.000 1.473 659 L HN 0.356 nan 8.230 nan 0.000 0.414 660 P HA 0.159 nan 4.420 nan 0.000 0.264 660 P C -0.879 176.013 177.300 -0.681 0.000 1.236 660 P CA 0.199 62.877 63.100 -0.703 0.000 0.811 660 P CB 0.610 31.675 31.700 -1.058 0.000 0.840 661 V N 6.047 125.339 119.914 -1.038 0.000 2.340 661 V HA 0.283 4.403 4.120 0.000 0.000 0.277 661 V C -0.687 174.789 176.094 -1.031 0.000 1.017 661 V CA -0.541 61.286 62.300 -0.788 0.000 0.820 661 V CB 0.073 31.566 31.823 -0.550 0.000 1.028 661 V HN 0.360 nan 8.190 nan 0.000 0.436 662 Y N 2.415 122.460 120.300 -0.425 0.000 2.377 662 Y HA 0.641 5.191 4.550 0.000 0.000 0.339 662 Y C 0.240 176.179 175.900 0.064 0.000 1.011 662 Y CA -0.809 57.179 58.100 -0.186 0.000 1.093 662 Y CB 2.126 40.526 38.460 -0.099 0.000 1.201 662 Y HN 0.355 nan 8.280 nan 0.000 0.455 663 V N 4.359 124.327 119.914 0.091 0.000 2.539 663 V HA 0.428 4.548 4.120 0.000 0.000 0.292 663 V C 0.168 176.126 176.094 -0.227 0.000 1.045 663 V CA -1.274 60.895 62.300 -0.218 0.000 0.945 663 V CB 1.174 32.419 31.823 -0.962 0.000 0.993 663 V HN 0.702 nan 8.190 nan 0.000 0.464 664 R N 2.150 122.356 120.500 -0.490 0.000 2.641 664 R HA 0.228 4.568 4.340 0.000 0.000 0.269 664 R C -0.261 175.728 176.300 -0.519 0.000 1.074 664 R CA -0.573 54.981 56.100 -0.910 0.000 1.133 664 R CB 0.370 30.268 30.300 -0.670 0.000 1.029 664 R HN 0.914 nan 8.270 nan 0.000 0.488 665 D N 1.242 121.319 120.400 -0.538 0.000 2.360 665 D HA -0.064 4.576 4.640 0.000 0.000 0.242 665 D C -0.092 176.089 176.300 -0.198 0.000 1.184 665 D CA -0.412 53.434 54.000 -0.257 0.000 0.930 665 D CB 0.286 40.931 40.800 -0.258 0.000 1.161 665 D HN 0.462 nan 8.370 nan 0.000 0.447 666 N N -0.797 117.837 118.700 -0.110 0.000 2.740 666 N HA -0.144 4.596 4.740 0.000 0.000 0.248 666 N C -0.987 174.507 175.510 -0.026 0.000 1.062 666 N CA 0.955 53.956 53.050 -0.082 0.000 0.704 666 N CB -1.393 36.995 38.487 -0.165 0.000 0.968 666 N HN 0.576 nan 8.380 nan 0.000 0.547 667 T N 0.788 115.365 114.554 0.038 0.000 2.861 667 T HA 0.544 4.894 4.350 0.000 0.000 0.287 667 T C -0.279 174.540 174.700 0.198 0.000 1.003 667 T CA -0.578 61.561 62.100 0.065 0.000 0.977 667 T CB 2.457 71.299 68.868 -0.043 0.000 0.996 667 T HN 0.151 nan 8.240 nan 0.000 0.448 668 L N 4.079 125.399 121.223 0.161 0.000 2.318 668 L HA 0.671 5.011 4.340 0.000 0.000 0.277 668 L C -1.506 175.516 176.870 0.253 0.000 1.008 668 L CA -0.769 54.201 54.840 0.216 0.000 0.846 668 L CB 0.735 42.864 42.059 0.117 0.000 1.220 668 L HN 0.493 nan 8.230 nan 0.000 0.423 669 L N 4.466 125.894 121.223 0.342 0.000 2.322 669 L HA 0.850 5.190 4.340 0.000 0.000 0.279 669 L C -0.111 176.951 176.870 0.319 0.000 1.036 669 L CA -0.141 54.847 54.840 0.246 0.000 0.807 669 L CB 1.761 43.897 42.059 0.128 0.000 1.226 669 L HN 0.747 nan 8.230 nan 0.000 0.433 670 A N 4.736 127.685 122.820 0.216 0.000 2.271 670 A HA 0.715 5.035 4.320 0.000 0.000 0.317 670 A C -1.242 176.345 177.584 0.005 0.000 1.245 670 A CA -0.422 51.635 52.037 0.035 0.000 0.857 670 A CB 0.452 19.467 19.000 0.025 0.000 1.175 670 A HN 0.495 nan 8.150 nan 0.000 0.512 671 L N 2.140 123.354 121.223 -0.015 0.000 2.334 671 L HA 0.663 5.003 4.340 0.000 0.000 0.276 671 L C 0.979 177.886 176.870 0.062 0.000 1.014 671 L CA 0.112 54.973 54.840 0.036 0.000 0.815 671 L CB 1.749 43.839 42.059 0.052 0.000 1.268 671 L HN 0.809 nan 8.230 nan 0.000 0.428 672 G N 0.948 109.846 108.800 0.165 0.000 2.537 672 G HA2 0.237 4.197 3.960 0.000 0.000 0.273 672 G HA3 0.237 4.197 3.960 0.000 0.000 0.273 672 G C 0.314 175.363 174.900 0.248 0.000 1.189 672 G CA -0.409 44.903 45.100 0.354 0.000 0.881 672 G HN 0.764 nan 8.290 nan 0.000 0.535 673 N N 0.005 118.856 118.700 0.250 0.000 2.376 673 N HA 0.033 4.773 4.740 0.000 0.000 0.249 673 N C -0.352 175.097 175.510 -0.102 0.000 1.140 673 N CA -0.474 52.616 53.050 0.066 0.000 0.870 673 N CB 0.332 38.859 38.487 0.067 0.000 1.124 673 N HN 0.355 nan 8.380 nan 0.000 0.505 674 N N 1.021 119.556 118.700 -0.275 0.000 2.478 674 N HA 0.061 4.801 4.740 0.000 0.000 0.291 674 N C -1.372 173.940 175.510 -0.330 0.000 1.090 674 N CA -0.323 52.422 53.050 -0.509 0.000 0.911 674 N CB 1.693 39.468 38.487 -1.186 0.000 1.546 674 N HN 0.182 nan 8.380 nan 0.000 0.500 675 D N 1.880 122.175 120.400 -0.174 0.000 2.538 675 D HA 0.116 4.756 4.640 0.000 0.000 0.231 675 D C 0.151 176.434 176.300 -0.029 0.000 1.229 675 D CA 0.188 54.140 54.000 -0.079 0.000 0.828 675 D CB 0.593 41.344 40.800 -0.081 0.000 1.035 675 D HN 0.355 nan 8.370 nan 0.000 0.495 676 Q N 0.386 120.161 119.800 -0.042 0.000 2.442 676 Q HA 0.173 4.513 4.340 0.000 0.000 0.228 676 Q C 0.788 176.905 176.000 0.196 0.000 0.902 676 Q CA 0.612 56.446 55.803 0.051 0.000 0.933 676 Q CB 1.282 30.019 28.738 -0.002 0.000 1.071 676 Q HN 0.479 nan 8.270 nan 0.000 0.562 677 R N 0.259 120.812 120.500 0.090 0.000 2.854 677 R HA 0.441 4.781 4.340 0.000 0.000 0.271 677 R C -2.386 174.016 176.300 0.169 0.000 0.994 677 R CA -1.617 54.558 56.100 0.125 0.000 0.945 677 R CB 1.488 31.872 30.300 0.139 0.000 1.194 677 R HN -0.265 nan 8.270 nan 0.000 0.476 678 P HA -0.053 nan 4.420 nan 0.000 0.222 678 P C -0.651 176.914 177.300 0.443 0.000 1.157 678 P CA 0.836 64.114 63.100 0.295 0.000 0.816 678 P CB 0.101 31.889 31.700 0.147 0.000 0.813 679 D N 1.022 121.592 120.400 0.282 0.000 2.428 679 D HA 0.188 4.828 4.640 0.000 0.000 0.221 679 D C -0.214 176.087 176.300 0.002 0.000 1.123 679 D CA -0.676 53.360 54.000 0.060 0.000 0.869 679 D CB -0.028 40.812 40.800 0.067 0.000 1.032 679 D HN 0.265 nan 8.370 nan 0.000 0.506 680 Y N -1.494 118.472 120.300 -0.556 0.000 2.725 680 Y HA 0.353 4.903 4.550 0.000 0.000 0.333 680 Y C -0.884 174.519 175.900 -0.828 0.000 1.242 680 Y CA -1.803 55.993 58.100 -0.506 0.000 1.059 680 Y CB 0.865 39.190 38.460 -0.225 0.000 1.306 680 Y HN 0.004 nan 8.280 nan 0.000 0.454 681 V N 4.398 124.115 119.914 -0.327 0.000 2.304 681 V HA -0.032 4.088 4.120 0.000 0.000 0.239 681 V C 0.200 176.151 176.094 -0.238 0.000 1.201 681 V CA -0.028 62.065 62.300 -0.345 0.000 1.254 681 V CB -1.019 30.651 31.823 -0.255 0.000 1.335 681 V HN 0.812 nan 8.190 nan 0.000 0.491 682 W N 4.404 125.588 121.300 -0.193 0.000 2.374 682 W HA -0.132 4.528 4.660 0.000 0.000 0.288 682 W C 2.029 178.532 176.519 -0.025 0.000 1.218 682 W CA 1.413 58.638 57.345 -0.199 0.000 1.245 682 W CB -0.903 28.414 29.460 -0.239 0.000 1.126 682 W HN 0.951 nan 8.180 nan 0.000 0.545 683 H N -0.670 118.492 119.070 0.154 0.000 2.566 683 H HA 0.316 4.872 4.556 0.000 0.000 0.280 683 H C -0.540 174.811 175.328 0.038 0.000 1.042 683 H CA 0.469 56.568 56.048 0.084 0.000 1.168 683 H CB -0.546 29.264 29.762 0.080 0.000 1.340 683 H HN 0.129 nan 8.280 nan 0.000 0.597 684 E N -0.155 119.962 120.200 -0.138 0.000 2.248 684 E HA 0.383 4.733 4.350 0.000 0.000 0.267 684 E C 0.232 176.848 176.600 0.027 0.000 0.877 684 E CA -0.576 55.768 56.400 -0.092 0.000 0.759 684 E CB 1.926 31.519 29.700 -0.178 0.000 1.182 684 E HN 0.377 nan 8.360 nan 0.000 0.418 685 G N 2.744 111.582 108.800 0.064 0.000 2.186 685 G HA2 -0.326 3.635 3.960 0.000 0.000 0.266 685 G HA3 -0.326 3.635 3.960 0.000 0.000 0.266 685 G C 0.505 175.462 174.900 0.095 0.000 0.982 685 G CA 0.809 45.957 45.100 0.080 0.000 0.670 685 G HN 0.522 nan 8.290 nan 0.000 0.533 686 T N 0.502 115.103 114.554 0.079 0.000 2.934 686 T HA 0.381 4.731 4.350 0.000 0.000 0.321 686 T C 0.632 175.278 174.700 -0.091 0.000 1.080 686 T CA 0.913 62.968 62.100 -0.075 0.000 1.132 686 T CB 1.271 69.956 68.868 -0.305 0.000 1.039 686 T HN 1.570 nan 8.240 nan 0.000 0.543 687 A N 2.966 125.684 122.820 -0.169 0.000 2.431 687 A HA 0.629 4.949 4.320 0.000 0.000 0.318 687 A C -0.480 177.102 177.584 -0.003 0.000 1.330 687 A CA -0.764 51.275 52.037 0.003 0.000 0.804 687 A CB 0.062 19.158 19.000 0.161 0.000 1.135 687 A HN 0.638 nan 8.150 nan 0.000 0.483 688 F N 1.783 121.866 119.950 0.222 0.000 2.399 688 F HA 0.376 4.903 4.527 0.000 0.000 0.342 688 F C 1.027 176.849 175.800 0.037 0.000 1.106 688 F CA 0.552 58.669 58.000 0.196 0.000 1.196 688 F CB 0.880 39.967 39.000 0.144 0.000 1.163 688 F HN 0.477 nan 8.300 nan 0.000 0.547 689 H N 3.471 122.710 119.070 0.282 0.000 2.823 689 H HA 0.309 4.865 4.556 0.000 0.000 0.332 689 H C -1.295 174.057 175.328 0.039 0.000 0.980 689 H CA -0.891 55.207 56.048 0.084 0.000 1.286 689 H CB 2.314 32.123 29.762 0.079 0.000 1.541 689 H HN 0.399 nan 8.280 nan 0.000 0.521 690 L N 4.256 125.446 121.223 -0.056 0.000 2.264 690 L HA 0.348 4.688 4.340 0.000 0.000 0.289 690 L C -1.293 175.456 176.870 -0.202 0.000 1.044 690 L CA -0.159 54.677 54.840 -0.007 0.000 0.807 690 L CB 0.043 42.105 42.059 0.004 0.000 1.192 690 L HN 0.347 nan 8.230 nan 0.000 0.425 691 F N 4.460 124.436 119.950 0.044 0.000 2.388 691 F HA 0.361 4.888 4.527 0.000 0.000 0.358 691 F C 0.670 176.454 175.800 -0.026 0.000 1.122 691 F CA -0.904 57.107 58.000 0.017 0.000 1.056 691 F CB 0.747 39.745 39.000 -0.003 0.000 1.155 691 F HN 0.516 nan 8.300 nan 0.000 0.461 692 N N 2.839 121.597 118.700 0.095 0.000 2.696 692 N HA -0.251 4.489 4.740 0.000 0.000 0.271 692 N C -0.572 174.934 175.510 -0.007 0.000 0.997 692 N CA 0.448 53.517 53.050 0.032 0.000 0.801 692 N CB -0.652 37.847 38.487 0.021 0.000 0.913 692 N HN 0.607 nan 8.380 nan 0.000 0.557 693 L N 0.697 121.923 121.223 0.005 0.000 2.433 693 L HA 0.023 4.363 4.340 0.000 0.000 0.275 693 L C 0.935 177.799 176.870 -0.009 0.000 1.128 693 L CA 0.105 54.945 54.840 -0.001 0.000 0.875 693 L CB 0.322 42.396 42.059 0.025 0.000 1.171 693 L HN 0.348 nan 8.230 nan 0.000 0.463 694 Q N 2.459 122.223 119.800 -0.060 0.000 2.317 694 Q HA 0.063 4.403 4.340 0.000 0.000 0.229 694 Q C -0.553 175.535 176.000 0.147 0.000 0.984 694 Q CA -0.519 55.280 55.803 -0.006 0.000 0.911 694 Q CB 1.032 29.678 28.738 -0.153 0.000 1.217 694 Q HN 0.543 nan 8.270 nan 0.000 0.501 695 D N -0.540 119.942 120.400 0.138 0.000 2.401 695 D HA 0.212 4.852 4.640 0.000 0.000 0.254 695 D C 0.465 176.846 176.300 0.135 0.000 1.192 695 D CA 1.378 55.445 54.000 0.111 0.000 0.885 695 D CB 0.023 40.862 40.800 0.066 0.000 1.147 695 D HN 0.668 nan 8.370 nan 0.000 0.478 696 G N 2.963 111.800 108.800 0.062 0.000 2.131 696 G HA2 -0.191 3.770 3.960 0.000 0.000 0.223 696 G HA3 -0.191 3.770 3.960 0.000 0.000 0.223 696 G C 0.092 174.880 174.900 -0.187 0.000 0.990 696 G CA -0.033 45.035 45.100 -0.054 0.000 0.671 696 G HN 0.692 nan 8.290 nan 0.000 0.521 697 H N -0.400 118.665 119.070 -0.008 0.000 2.812 697 H HA 0.711 5.267 4.556 0.000 0.000 0.355 697 H C -0.662 174.658 175.328 -0.013 0.000 1.207 697 H CA -0.472 55.569 56.048 -0.012 0.000 1.217 697 H CB 2.261 32.016 29.762 -0.012 0.000 1.874 697 H HN 0.308 nan 8.280 nan 0.000 0.581 698 E N 0.372 120.644 120.200 0.120 0.000 2.314 698 E HA 0.570 4.920 4.350 0.000 0.000 0.272 698 E C -1.768 174.858 176.600 0.043 0.000 0.884 698 E CA -0.939 55.492 56.400 0.051 0.000 0.753 698 E CB 2.434 32.140 29.700 0.010 0.000 1.213 698 E HN 0.691 nan 8.360 nan 0.000 0.432 699 A N 3.320 126.153 122.820 0.022 0.000 2.330 699 A HA 0.600 4.920 4.320 0.000 0.000 0.313 699 A C -1.120 176.457 177.584 -0.011 0.000 1.124 699 A CA -0.551 51.496 52.037 0.017 0.000 0.774 699 A CB 1.266 20.289 19.000 0.037 0.000 1.198 699 A HN 0.295 nan 8.150 nan 0.000 0.465 700 V N 1.298 121.204 119.914 -0.013 0.000 2.628 700 V HA 0.554 4.674 4.120 0.000 0.000 0.306 700 V C -0.411 175.675 176.094 -0.013 0.000 1.045 700 V CA -0.543 61.731 62.300 -0.044 0.000 0.905 700 V CB 1.571 33.362 31.823 -0.053 0.000 0.997 700 V HN 1.048 nan 8.190 nan 0.000 0.436 701 C N 4.694 123.969 119.300 -0.041 0.000 2.381 701 C HA 0.556 5.016 4.460 0.000 0.000 0.328 701 C C -0.237 174.763 174.990 0.017 0.000 1.190 701 C CA -0.491 58.556 59.018 0.048 0.000 1.369 701 C CB 0.202 28.037 27.740 0.159 0.000 2.029 701 C HN 0.989 nan 8.230 nan 0.000 0.448 702 E N 4.455 124.680 120.200 0.041 0.000 2.055 702 E HA 0.348 4.698 4.350 0.000 0.000 0.274 702 E C -0.658 175.998 176.600 0.094 0.000 0.949 702 E CA -0.335 56.080 56.400 0.024 0.000 0.775 702 E CB 1.607 31.300 29.700 -0.012 0.000 1.097 702 E HN 0.582 nan 8.360 nan 0.000 0.404 703 V N 6.489 126.511 119.914 0.180 0.000 2.432 703 V HA 0.177 4.297 4.120 0.000 0.000 0.271 703 V C -1.663 174.542 176.094 0.185 0.000 1.046 703 V CA -1.454 60.980 62.300 0.223 0.000 0.945 703 V CB 0.496 32.553 31.823 0.390 0.000 0.992 703 V HN 0.573 nan 8.190 nan 0.000 0.471 704 P HA 0.451 nan 4.420 nan 0.000 0.278 704 P C -0.591 176.936 177.300 0.379 0.000 1.258 704 P CA -0.314 62.907 63.100 0.201 0.000 0.811 704 P CB 1.725 33.511 31.700 0.143 0.000 1.063 705 A N 0.993 123.999 122.820 0.310 0.000 2.326 705 A HA 0.616 4.936 4.320 0.000 0.000 0.303 705 A C 1.636 179.436 177.584 0.360 0.000 1.164 705 A CA 0.061 52.250 52.037 0.253 0.000 0.929 705 A CB -0.183 18.873 19.000 0.094 0.000 1.363 705 A HN 0.476 nan 8.150 nan 0.000 0.498 706 A N 0.002 122.908 122.820 0.144 0.000 1.883 706 A HA -0.182 4.138 4.320 0.000 0.000 0.217 706 A C 1.327 179.079 177.584 0.279 0.000 1.186 706 A CA 2.400 54.494 52.037 0.095 0.000 0.624 706 A CB -1.085 17.896 19.000 -0.032 0.000 0.822 706 A HN 0.932 nan 8.150 nan 0.000 0.444 707 D N -2.284 118.245 120.400 0.215 0.000 2.371 707 D HA 0.301 4.941 4.640 0.000 0.000 0.234 707 D C 1.138 177.576 176.300 0.230 0.000 1.049 707 D CA 1.078 55.205 54.000 0.210 0.000 0.907 707 D CB -0.498 40.377 40.800 0.124 0.000 0.891 707 D HN 0.835 nan 8.370 nan 0.000 0.531 708 G N -0.235 108.760 108.800 0.325 0.000 2.217 708 G HA2 -0.303 3.657 3.960 0.000 0.000 0.246 708 G HA3 -0.303 3.657 3.960 0.000 0.000 0.246 708 G C 0.501 175.453 174.900 0.088 0.000 0.990 708 G CA 0.327 45.525 45.100 0.164 0.000 0.627 708 G HN 0.853 nan 8.290 nan 0.000 0.522 709 S N -0.311 115.449 115.700 0.099 0.000 2.603 709 S HA 0.642 5.112 4.470 0.000 0.000 0.268 709 S C 0.421 175.060 174.600 0.065 0.000 1.317 709 S CA -0.147 58.088 58.200 0.057 0.000 1.012 709 S CB 2.180 65.408 63.200 0.048 0.000 0.926 709 S HN 1.065 nan 8.310 nan 0.000 0.539 710 V N 2.810 122.745 119.914 0.036 0.000 2.470 710 V HA 0.194 4.314 4.120 0.000 0.000 0.276 710 V C 1.015 177.134 176.094 0.042 0.000 1.040 710 V CA -0.062 62.261 62.300 0.038 0.000 1.008 710 V CB 0.472 32.298 31.823 0.004 0.000 0.990 710 V HN 0.978 nan 8.190 nan 0.000 0.477 711 I N 4.284 124.894 120.570 0.068 0.000 4.035 711 I HA 0.367 4.537 4.170 0.000 0.000 0.321 711 I C -0.169 176.040 176.117 0.153 0.000 1.289 711 I CA 0.370 61.695 61.300 0.041 0.000 1.236 711 I CB 0.510 38.454 38.000 -0.093 0.000 1.076 711 I HN 0.567 nan 8.210 nan 0.000 0.418 712 F N 0.317 120.260 119.950 -0.010 0.000 2.623 712 F HA 0.408 4.935 4.527 0.000 0.000 0.323 712 F C -1.177 174.607 175.800 -0.026 0.000 1.158 712 F CA -0.421 57.573 58.000 -0.009 0.000 1.030 712 F CB 1.454 40.473 39.000 0.032 0.000 1.280 712 F HN -0.362 nan 8.300 nan 0.000 0.474 713 T N 6.937 121.001 114.554 -0.816 0.000 2.829 713 T HA 0.599 4.949 4.350 0.000 0.000 0.280 713 T C -1.699 172.379 174.700 -1.036 0.000 0.999 713 T CA -0.616 61.089 62.100 -0.657 0.000 0.983 713 T CB 1.626 70.279 68.868 -0.358 0.000 0.968 713 T HN 0.531 nan 8.240 nan 0.000 0.446 714 L N 3.579 124.356 121.223 -0.743 0.000 2.381 714 L HA 0.606 4.946 4.340 0.000 0.000 0.274 714 L C -0.982 175.652 176.870 -0.392 0.000 0.988 714 L CA -0.591 53.820 54.840 -0.716 0.000 0.824 714 L CB 1.467 42.925 42.059 -1.001 0.000 1.263 714 L HN 0.675 nan 8.230 nan 0.000 0.410 715 K N 3.823 124.054 120.400 -0.281 0.000 2.318 715 K HA 0.838 5.158 4.320 0.000 0.000 0.249 715 K C -0.936 175.601 176.600 -0.104 0.000 0.942 715 K CA -0.742 55.450 56.287 -0.159 0.000 0.808 715 K CB 2.608 35.033 32.500 -0.124 0.000 1.189 715 K HN 0.648 nan 8.250 nan 0.000 0.428 716 A N 1.497 124.282 122.820 -0.058 0.000 2.410 716 A HA 0.667 4.987 4.320 0.000 0.000 0.289 716 A C -1.143 176.440 177.584 -0.002 0.000 1.200 716 A CA -0.622 51.402 52.037 -0.022 0.000 0.751 716 A CB 1.101 20.097 19.000 -0.007 0.000 1.161 716 A HN 0.695 nan 8.150 nan 0.000 0.459 717 A N 2.585 125.404 122.820 -0.000 0.000 2.318 717 A HA 0.776 5.096 4.320 0.000 0.000 0.324 717 A C 0.083 177.677 177.584 0.017 0.000 1.170 717 A CA -0.640 51.402 52.037 0.009 0.000 0.810 717 A CB 0.706 19.704 19.000 -0.004 0.000 1.198 717 A HN 0.853 nan 8.150 nan 0.000 0.484 718 R N 1.700 122.219 120.500 0.031 0.000 2.294 718 R HA 0.454 4.794 4.340 0.000 0.000 0.319 718 R C 0.420 176.734 176.300 0.023 0.000 0.984 718 R CA 0.122 56.241 56.100 0.031 0.000 0.861 718 R CB 1.408 31.736 30.300 0.047 0.000 1.104 718 R HN 0.785 nan 8.270 nan 0.000 0.451 719 T N 0.943 115.506 114.554 0.015 0.000 3.046 719 T HA 0.275 4.625 4.350 0.000 0.000 0.242 719 T C 0.796 175.502 174.700 0.010 0.000 1.018 719 T CA 1.121 63.225 62.100 0.007 0.000 1.131 719 T CB 0.312 69.181 68.868 0.002 0.000 0.904 719 T HN 0.761 nan 8.240 nan 0.000 0.459 720 G N -0.073 108.735 108.800 0.013 0.000 2.892 720 G HA2 0.204 4.164 3.960 0.000 0.000 0.184 720 G HA3 0.204 4.164 3.960 0.000 0.000 0.184 720 G C 0.507 175.417 174.900 0.016 0.000 1.238 720 G CA 0.017 45.125 45.100 0.014 0.000 0.722 720 G HN 0.323 nan 8.290 nan 0.000 0.777 721 N N 0.160 118.868 118.700 0.013 0.000 2.217 721 N HA 0.279 5.019 4.740 0.000 0.000 0.239 721 N C -1.131 174.386 175.510 0.012 0.000 1.330 721 N CA -0.005 53.053 53.050 0.013 0.000 0.838 721 N CB 1.658 40.152 38.487 0.011 0.000 1.287 721 N HN 0.148 nan 8.380 nan 0.000 0.498 722 T N 1.655 116.217 114.554 0.013 0.000 2.833 722 T HA 0.486 4.836 4.350 0.000 0.000 0.297 722 T C -0.171 174.537 174.700 0.014 0.000 1.015 722 T CA -0.520 61.587 62.100 0.012 0.000 0.963 722 T CB 0.724 69.598 68.868 0.009 0.000 0.955 722 T HN 0.121 nan 8.240 nan 0.000 0.449 723 I N 0.673 121.252 120.570 0.016 0.000 2.339 723 I HA 0.615 4.785 4.170 0.000 0.000 0.290 723 I C -0.346 175.782 176.117 0.018 0.000 0.994 723 I CA -0.667 60.643 61.300 0.018 0.000 1.191 723 I CB 1.415 39.427 38.000 0.020 0.000 1.343 723 I HN 0.294 nan 8.210 nan 0.000 0.458 724 T N 5.890 120.453 114.554 0.014 0.000 2.799 724 T HA 0.446 4.796 4.350 0.000 0.000 0.286 724 T C 0.004 174.713 174.700 0.014 0.000 0.973 724 T CA -0.397 61.712 62.100 0.015 0.000 1.035 724 T CB 1.765 70.637 68.868 0.007 0.000 0.932 724 T HN 0.444 nan 8.240 nan 0.000 0.469 725 V N 4.814 124.747 119.914 0.031 0.000 2.334 725 V HA 0.543 4.663 4.120 0.000 0.000 0.281 725 V C 0.290 176.413 176.094 0.049 0.000 1.016 725 V CA -0.806 61.518 62.300 0.039 0.000 0.832 725 V CB 1.186 33.066 31.823 0.095 0.000 0.999 725 V HN 1.116 nan 8.190 nan 0.000 0.439 726 T N 1.471 116.022 114.554 -0.005 0.000 2.876 726 T HA 0.847 5.197 4.350 0.000 0.000 0.289 726 T C -0.033 174.611 174.700 -0.093 0.000 1.014 726 T CA -0.638 61.457 62.100 -0.008 0.000 0.986 726 T CB 2.081 70.935 68.868 -0.024 0.000 1.021 726 T HN 0.840 nan 8.240 nan 0.000 0.458 727 G N 0.103 108.873 108.800 -0.049 0.000 2.533 727 G HA2 0.792 4.752 3.960 0.000 0.000 0.304 727 G HA3 0.792 4.752 3.960 0.000 0.000 0.304 727 G C -1.371 173.435 174.900 -0.156 0.000 1.263 727 G CA -1.015 43.946 45.100 -0.232 0.000 0.964 727 G HN 1.150 nan 8.290 nan 0.000 0.479 728 A N -0.195 122.401 122.820 -0.373 0.000 2.427 728 A HA 1.042 5.362 4.320 0.000 0.000 0.298 728 A C 0.313 177.841 177.584 -0.093 0.000 1.036 728 A CA 0.372 52.322 52.037 -0.145 0.000 0.701 728 A CB 1.401 20.316 19.000 -0.142 0.000 1.250 728 A HN 2.654 nan 8.150 nan 0.000 0.412 729 G N 0.528 109.414 108.800 0.144 0.000 2.396 729 G HA2 0.211 4.171 3.960 0.000 0.000 0.254 729 G HA3 0.211 4.171 3.960 0.000 0.000 0.254 729 G C -0.545 174.583 174.900 0.380 0.000 1.248 729 G CA -0.118 45.129 45.100 0.244 0.000 1.033 729 G HN 1.197 nan 8.290 nan 0.000 0.502 730 E N 0.217 120.593 120.200 0.293 0.000 2.134 730 E HA 0.649 4.999 4.350 0.000 0.000 0.278 730 E C -0.002 176.663 176.600 0.108 0.000 0.959 730 E CA -0.101 56.410 56.400 0.185 0.000 0.783 730 E CB 0.982 30.742 29.700 0.099 0.000 1.095 730 E HN 1.607 nan 8.360 nan 0.000 0.399 731 A N 4.021 126.831 122.820 -0.016 0.000 2.612 731 A HA 0.707 5.027 4.320 0.000 0.000 0.293 731 A C -1.556 176.070 177.584 0.071 0.000 1.075 731 A CA -0.910 51.014 52.037 -0.189 0.000 0.680 731 A CB 1.750 19.988 19.000 -1.271 0.000 1.279 731 A HN 0.519 nan 8.150 nan 0.000 0.411 732 K N 0.653 121.130 120.400 0.128 0.000 2.512 732 K HA 0.508 4.828 4.320 0.000 0.000 0.263 732 K C 0.226 176.914 176.600 0.146 0.000 0.966 732 K CA -0.567 55.795 56.287 0.125 0.000 0.851 732 K CB 1.261 33.786 32.500 0.043 0.000 1.395 732 K HN 0.753 nan 8.250 nan 0.000 0.440 733 N N 1.989 120.719 118.700 0.051 0.000 2.685 733 N HA -0.179 4.561 4.740 0.000 0.000 0.251 733 N C -0.788 174.776 175.510 0.090 0.000 1.020 733 N CA 0.593 53.650 53.050 0.010 0.000 0.762 733 N CB -0.029 38.465 38.487 0.012 0.000 0.958 733 N HN 0.545 nan 8.380 nan 0.000 0.539 734 W N -0.459 120.866 121.300 0.040 0.000 2.213 734 W HA 0.623 5.283 4.660 0.000 0.000 0.356 734 W C -0.368 176.236 176.519 0.142 0.000 1.273 734 W CA -0.328 57.086 57.345 0.115 0.000 1.391 734 W CB 0.091 29.718 29.460 0.277 0.000 1.187 734 W HN -0.084 nan 8.180 nan 0.000 0.649 735 T N 2.454 117.361 114.554 0.588 0.000 2.841 735 T HA 0.494 4.844 4.350 0.000 0.000 0.296 735 T C -1.342 173.716 174.700 0.596 0.000 1.166 735 T CA -0.737 61.579 62.100 0.361 0.000 1.007 735 T CB 2.049 71.008 68.868 0.151 0.000 1.253 735 T HN 0.399 nan 8.240 nan 0.000 0.511 736 L N 1.954 123.382 121.223 0.343 0.000 2.438 736 L HA 0.693 5.033 4.340 0.000 0.000 0.270 736 L C -1.196 175.700 176.870 0.044 0.000 0.972 736 L CA -0.569 54.441 54.840 0.285 0.000 0.831 736 L CB 1.092 43.357 42.059 0.343 0.000 1.273 736 L HN 0.932 nan 8.230 nan 0.000 0.405 737 C N 6.523 125.748 119.300 -0.126 0.000 2.351 737 C HA 0.570 5.030 4.460 0.000 0.000 0.326 737 C C 0.134 175.030 174.990 -0.158 0.000 1.272 737 C CA -0.752 58.144 59.018 -0.204 0.000 1.650 737 C CB 0.441 27.912 27.740 -0.448 0.000 2.257 737 C HN 0.755 nan 8.230 nan 0.000 0.505 738 L N 7.582 128.748 121.223 -0.095 0.000 2.358 738 L HA 0.365 4.705 4.340 0.000 0.000 0.274 738 L C 0.539 177.347 176.870 -0.104 0.000 1.136 738 L CA -0.329 54.460 54.840 -0.085 0.000 0.970 738 L CB -0.366 41.669 42.059 -0.039 0.000 1.314 738 L HN 0.631 nan 8.230 nan 0.000 0.427 739 R N 3.427 123.812 120.500 -0.192 0.000 2.523 739 R HA -0.092 4.248 4.340 0.000 0.000 0.281 739 R C 0.718 176.971 176.300 -0.078 0.000 0.969 739 R CA 0.261 56.252 56.100 -0.182 0.000 1.093 739 R CB -0.196 29.835 30.300 -0.449 0.000 0.917 739 R HN 0.621 nan 8.270 nan 0.000 0.408 740 N N -0.030 118.659 118.700 -0.019 0.000 2.714 740 N HA -0.183 4.557 4.740 0.000 0.000 0.250 740 N C -0.954 174.558 175.510 0.003 0.000 1.117 740 N CA 0.997 54.054 53.050 0.011 0.000 0.719 740 N CB -0.691 37.815 38.487 0.031 0.000 1.081 740 N HN 0.240 nan 8.380 nan 0.000 0.557 741 V N 1.481 121.389 119.914 -0.009 0.000 2.266 741 V HA 0.165 4.285 4.120 0.000 0.000 0.271 741 V C 1.642 177.735 176.094 -0.001 0.000 1.032 741 V CA -0.422 61.874 62.300 -0.006 0.000 0.806 741 V CB 1.419 33.233 31.823 -0.014 0.000 1.052 741 V HN 0.100 nan 8.190 nan 0.000 0.449 742 V N 2.003 121.920 119.914 0.005 0.000 2.239 742 V HA 0.097 4.217 4.120 0.000 0.000 0.236 742 V C 1.071 177.168 176.094 0.005 0.000 1.040 742 V CA 0.745 63.049 62.300 0.007 0.000 0.996 742 V CB -0.333 31.496 31.823 0.010 0.000 0.640 742 V HN 0.628 nan 8.190 nan 0.000 0.456 743 K N 0.250 120.653 120.400 0.005 0.000 2.172 743 K HA 0.582 4.902 4.320 0.000 0.000 0.276 743 K C -1.347 175.255 176.600 0.004 0.000 1.013 743 K CA -0.335 55.955 56.287 0.005 0.000 0.913 743 K CB 1.743 34.246 32.500 0.006 0.000 1.055 743 K HN 0.279 nan 8.250 nan 0.000 0.461 744 V N 4.260 124.176 119.914 0.003 0.000 2.656 744 V HA 0.120 4.240 4.120 0.000 0.000 0.307 744 V C 0.666 176.762 176.094 0.003 0.000 1.051 744 V CA -0.658 61.644 62.300 0.003 0.000 0.893 744 V CB 1.649 33.474 31.823 0.003 0.000 0.999 744 V HN 1.078 nan 8.190 nan 0.000 0.426 745 N N 4.690 123.393 118.700 0.004 0.000 1.997 745 N HA 0.069 4.809 4.740 0.000 0.000 0.198 745 N C 0.610 176.122 175.510 0.003 0.000 1.063 745 N CA 2.234 55.286 53.050 0.004 0.000 0.860 745 N CB -0.246 38.244 38.487 0.005 0.000 1.063 745 N HN 0.896 nan 8.380 nan 0.000 0.424 746 G N -1.376 107.426 108.800 0.003 0.000 2.818 746 G HA2 0.630 4.590 3.960 0.000 0.000 0.286 746 G HA3 0.630 4.590 3.960 0.000 0.000 0.286 746 G C -1.854 173.047 174.900 0.003 0.000 1.364 746 G CA -0.565 44.536 45.100 0.002 0.000 0.938 746 G HN 0.325 nan 8.290 nan 0.000 0.490 747 L N -0.565 120.658 121.223 0.001 0.000 2.549 747 L HA 0.483 4.823 4.340 0.000 0.000 0.259 747 L C -1.428 175.443 176.870 0.000 0.000 0.934 747 L CA -0.854 53.987 54.840 0.002 0.000 0.865 747 L CB 2.293 44.351 42.059 -0.002 0.000 1.352 747 L HN 0.409 nan 8.230 nan 0.000 0.410 748 Q N 2.090 121.891 119.800 0.003 0.000 2.342 748 Q HA 0.323 4.663 4.340 0.000 0.000 0.267 748 Q C -0.761 175.239 176.000 0.001 0.000 1.038 748 Q CA -0.434 55.370 55.803 0.003 0.000 0.832 748 Q CB 1.941 30.683 28.738 0.007 0.000 1.323 748 Q HN 0.731 nan 8.270 nan 0.000 0.448 749 D N 0.357 120.755 120.400 -0.003 0.000 2.811 749 D HA -0.158 4.482 4.640 0.000 0.000 0.231 749 D C -0.071 176.214 176.300 -0.025 0.000 1.157 749 D CA 1.712 55.707 54.000 -0.009 0.000 0.716 749 D CB -0.839 39.963 40.800 0.003 0.000 1.077 749 D HN 0.764 nan 8.370 nan 0.000 0.428 750 G N -1.443 107.340 108.800 -0.029 0.000 2.667 750 G HA2 0.542 4.502 3.960 0.000 0.000 0.294 750 G HA3 0.542 4.502 3.960 0.000 0.000 0.294 750 G C -0.588 174.288 174.900 -0.040 0.000 1.467 750 G CA -0.188 44.883 45.100 -0.048 0.000 0.852 750 G HN 0.414 nan 8.290 nan 0.000 0.521 751 S N -0.258 115.412 115.700 -0.050 0.000 2.687 751 S HA 0.803 5.273 4.470 0.000 0.000 0.283 751 S C 0.070 174.649 174.600 -0.034 0.000 1.170 751 S CA -0.517 57.660 58.200 -0.038 0.000 1.008 751 S CB 1.803 64.979 63.200 -0.040 0.000 1.026 751 S HN 1.024 nan 8.310 nan 0.000 0.541 752 Q N 0.197 119.982 119.800 -0.023 0.000 2.814 752 Q HA 0.882 5.222 4.340 0.000 0.000 0.283 752 Q C -1.160 174.831 176.000 -0.015 0.000 1.071 752 Q CA -1.682 54.111 55.803 -0.018 0.000 0.849 752 Q CB 1.724 30.455 28.738 -0.011 0.000 1.437 752 Q HN 1.201 nan 8.270 nan 0.000 0.492 753 A N 0.298 123.112 122.820 -0.010 0.000 2.585 753 A HA 0.345 4.665 4.320 0.000 0.000 0.299 753 A C -1.536 176.047 177.584 -0.001 0.000 1.047 753 A CA -0.813 51.220 52.037 -0.006 0.000 0.723 753 A CB 1.181 20.177 19.000 -0.007 0.000 1.275 753 A HN 0.689 nan 8.150 nan 0.000 0.408 754 E N 0.520 120.722 120.200 0.003 0.000 2.374 754 E HA 0.558 4.908 4.350 0.000 0.000 0.260 754 E C 0.078 176.686 176.600 0.013 0.000 1.101 754 E CA 0.024 56.428 56.400 0.008 0.000 0.907 754 E CB 1.344 31.049 29.700 0.009 0.000 1.014 754 E HN 0.672 nan 8.360 nan 0.000 0.427 755 S N -0.209 115.502 115.700 0.019 0.000 2.570 755 S HA 0.053 4.523 4.470 0.000 0.000 0.270 755 S C 0.386 175.009 174.600 0.039 0.000 1.149 755 S CA -0.650 57.568 58.200 0.031 0.000 0.837 755 S CB 1.229 64.448 63.200 0.032 0.000 1.124 755 S HN 0.675 nan 8.310 nan 0.000 0.465 756 E N 1.459 121.691 120.200 0.053 0.000 2.204 756 E HA -0.139 4.211 4.350 0.000 0.000 0.194 756 E C 1.139 177.780 176.600 0.069 0.000 0.989 756 E CA 0.956 57.392 56.400 0.059 0.000 0.824 756 E CB -0.226 29.516 29.700 0.071 0.000 0.756 756 E HN 0.709 nan 8.360 nan 0.000 0.477 757 Q N 0.626 120.475 119.800 0.082 0.000 2.408 757 Q HA 0.234 4.574 4.340 0.000 0.000 0.205 757 Q C 0.386 176.413 176.000 0.046 0.000 0.919 757 Q CA 0.425 56.283 55.803 0.090 0.000 0.932 757 Q CB 1.189 30.015 28.738 0.145 0.000 1.058 757 Q HN 0.363 nan 8.270 nan 0.000 0.517 758 G N 0.593 109.410 108.800 0.028 0.000 2.339 758 G HA2 -0.000 3.960 3.960 0.000 0.000 0.381 758 G HA3 -0.000 3.960 3.960 0.000 0.000 0.381 758 G C -1.751 173.145 174.900 -0.007 0.000 1.400 758 G CA -1.177 43.925 45.100 0.002 0.000 1.002 758 G HN 0.024 nan 8.290 nan 0.000 0.633 759 L N -0.045 121.172 121.223 -0.011 0.000 2.559 759 L HA 0.439 4.779 4.340 0.000 0.000 0.282 759 L C 0.526 177.384 176.870 -0.021 0.000 1.232 759 L CA 0.344 55.177 54.840 -0.011 0.000 0.885 759 L CB 0.872 42.926 42.059 -0.008 0.000 1.131 759 L HN 0.569 nan 8.230 nan 0.000 0.498 760 V N 6.259 126.164 119.914 -0.015 0.000 2.357 760 V HA 0.405 4.525 4.120 0.000 0.000 0.284 760 V C -0.132 175.955 176.094 -0.011 0.000 1.018 760 V CA -0.668 61.621 62.300 -0.018 0.000 0.841 760 V CB 1.568 33.384 31.823 -0.012 0.000 0.991 760 V HN 0.536 nan 8.190 nan 0.000 0.437 761 V N 4.510 124.423 119.914 -0.001 0.000 2.612 761 V HA 0.616 4.736 4.120 0.000 0.000 0.301 761 V C -0.147 175.923 176.094 -0.040 0.000 1.046 761 V CA -0.872 61.421 62.300 -0.010 0.000 0.946 761 V CB 2.025 33.854 31.823 0.010 0.000 1.003 761 V HN 0.830 nan 8.190 nan 0.000 0.459 762 K N 6.692 127.037 120.400 -0.092 0.000 2.502 762 K HA 0.540 4.860 4.320 0.000 0.000 0.254 762 K C -2.671 173.784 176.600 -0.242 0.000 0.947 762 K CA -2.151 54.024 56.287 -0.187 0.000 0.834 762 K CB 2.000 34.416 32.500 -0.140 0.000 1.112 762 K HN 0.367 nan 8.250 nan 0.000 0.427 763 P HA 0.060 nan 4.420 nan 0.000 0.271 763 P C -1.318 175.835 177.300 -0.246 0.000 1.244 763 P CA 0.067 62.947 63.100 -0.366 0.000 0.793 763 P CB 0.415 31.707 31.700 -0.680 0.000 0.984 764 Q N -0.708 119.011 119.800 -0.135 0.000 3.607 764 Q HA 0.417 4.757 4.340 0.000 0.000 0.167 764 Q C -0.015 175.968 176.000 -0.029 0.000 0.821 764 Q CA -0.209 55.547 55.803 -0.079 0.000 1.114 764 Q CB -0.721 27.971 28.738 -0.076 0.000 1.553 764 Q HN 0.786 nan 8.270 nan 0.000 0.561 765 G N 2.075 110.875 108.800 0.000 0.000 2.318 765 G HA2 -0.273 3.687 3.960 0.000 0.000 0.172 765 G HA3 -0.273 3.687 3.960 0.000 0.000 0.172 765 G C 0.539 175.469 174.900 0.049 0.000 1.002 765 G CA 0.373 45.487 45.100 0.022 0.000 0.697 765 G HN 0.783 nan 8.290 nan 0.000 0.483 766 N N -0.557 118.187 118.700 0.073 0.000 2.886 766 N HA -0.297 4.444 4.740 0.000 0.000 0.223 766 N C 1.505 177.067 175.510 0.087 0.000 0.828 766 N CA 3.085 56.209 53.050 0.123 0.000 1.180 766 N CB -1.465 37.105 38.487 0.139 0.000 0.972 766 N HN 1.793 nan 8.380 nan 0.000 0.616 767 A N 0.406 123.259 122.820 0.055 0.000 2.215 767 A HA 0.124 4.444 4.320 0.000 0.000 0.208 767 A C 0.732 178.338 177.584 0.036 0.000 1.296 767 A CA 0.221 52.281 52.037 0.039 0.000 0.918 767 A CB -0.521 18.494 19.000 0.026 0.000 0.806 767 A HN 0.455 nan 8.150 nan 0.000 0.490 768 L N 1.361 122.614 121.223 0.050 0.000 2.584 768 L HA 0.154 4.494 4.340 0.000 0.000 0.272 768 L C -0.802 176.095 176.870 0.044 0.000 1.195 768 L CA 1.462 56.329 54.840 0.045 0.000 0.920 768 L CB -0.277 41.825 42.059 0.072 0.000 1.173 768 L HN 0.256 nan 8.230 nan 0.000 0.489 769 T N 6.069 120.640 114.554 0.028 0.000 2.971 769 T HA 0.544 4.894 4.350 0.000 0.000 0.304 769 T C -0.481 174.230 174.700 0.019 0.000 1.038 769 T CA -0.435 61.679 62.100 0.024 0.000 1.007 769 T CB 1.866 70.745 68.868 0.018 0.000 1.055 769 T HN 0.358 nan 8.240 nan 0.000 0.451 770 I N 2.234 122.816 120.570 0.020 0.000 2.562 770 I HA 0.598 4.768 4.170 0.000 0.000 0.301 770 I C 0.473 176.598 176.117 0.013 0.000 1.003 770 I CA -0.424 60.885 61.300 0.015 0.000 1.127 770 I CB 2.072 40.082 38.000 0.017 0.000 1.304 770 I HN 0.620 nan 8.210 nan 0.000 0.446 771 T N 6.317 120.877 114.554 0.010 0.000 2.864 771 T HA 0.492 4.842 4.350 0.000 0.000 0.299 771 T C 0.023 174.728 174.700 0.008 0.000 1.011 771 T CA -0.682 61.424 62.100 0.009 0.000 0.975 771 T CB 0.140 69.012 68.868 0.007 0.000 0.962 771 T HN 0.229 nan 8.240 nan 0.000 0.448 772 L N 3.468 124.696 121.223 0.009 0.000 2.371 772 L HA 0.336 4.676 4.340 0.000 0.000 0.234 772 L C 1.629 178.504 176.870 0.008 0.000 1.230 772 L CA 0.672 55.517 54.840 0.008 0.000 0.825 772 L CB -1.100 40.965 42.059 0.010 0.000 1.157 772 L HN 1.006 nan 8.230 nan 0.000 0.565 773 H N 0.000 119.075 119.070 0.008 0.000 2.539 773 H HA 0.000 4.556 4.556 0.000 0.000 0.296 773 H CA 0.000 56.052 56.048 0.007 0.000 1.023 773 H CB 0.000 29.766 29.762 0.007 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496