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 1xsj_1_C 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 0.000 176.161 176.300 -0.232 0.000 1.140 1 M CA 0.000 55.169 55.300 -0.219 0.000 0.988 1 M CB 0.000 32.396 32.600 -0.339 0.000 1.302 2 K N 4.689 124.962 120.400 -0.211 0.000 2.383 2 K HA 0.341 4.666 4.320 0.007 0.000 0.286 2 K C 0.127 176.573 176.600 -0.255 0.000 1.051 2 K CA 0.227 56.395 56.287 -0.199 0.000 0.974 2 K CB 0.367 32.778 32.500 -0.150 0.000 0.968 2 K HN 0.668 nan 8.250 nan 0.000 0.475 3 I N 0.233 120.632 120.570 -0.285 0.000 3.345 3 I HA -0.097 4.077 4.170 0.007 0.000 0.258 3 I C 0.876 176.847 176.117 -0.244 0.000 1.134 3 I CA 0.170 61.265 61.300 -0.342 0.000 1.457 3 I CB 0.023 37.680 38.000 -0.572 0.000 1.425 3 I HN 0.472 nan 8.210 nan 0.000 0.461 4 S N 0.487 116.059 115.700 -0.214 0.000 2.614 4 S HA 0.135 4.609 4.470 0.007 0.000 0.265 4 S C -0.230 174.303 174.600 -0.113 0.000 1.303 4 S CA -0.444 57.669 58.200 -0.145 0.000 1.000 4 S CB 1.383 64.500 63.200 -0.140 0.000 0.935 4 S HN 0.233 nan 8.310 nan 0.000 0.551 5 D N 0.374 120.728 120.400 -0.076 0.000 2.456 5 D HA 0.482 5.126 4.640 0.007 0.000 0.287 5 D C 0.742 177.022 176.300 -0.032 0.000 1.186 5 D CA 0.760 54.730 54.000 -0.050 0.000 0.916 5 D CB -0.148 40.635 40.800 -0.029 0.000 1.029 5 D HN 1.103 nan 8.370 nan 0.000 0.498 6 G N 3.010 111.774 108.800 -0.060 0.000 2.741 6 G HA2 -0.356 3.608 3.960 0.007 0.000 0.222 6 G HA3 -0.356 3.608 3.960 0.007 0.000 0.222 6 G C 0.865 175.660 174.900 -0.175 0.000 1.364 6 G CA -0.005 45.047 45.100 -0.081 0.000 0.866 6 G HN 0.472 nan 8.290 nan 0.000 0.555 7 N N -0.742 117.755 118.700 -0.338 0.000 2.223 7 N HA -0.036 4.709 4.740 0.007 0.000 0.185 7 N C 1.902 177.038 175.510 -0.624 0.000 1.016 7 N CA 2.718 55.392 53.050 -0.627 0.000 0.863 7 N CB -0.159 37.685 38.487 -1.071 0.000 0.983 7 N HN 0.609 nan 8.380 nan 0.000 0.429 8 W N -0.389 120.899 121.300 -0.020 0.000 2.996 8 W HA 0.404 5.068 4.660 0.007 0.000 0.270 8 W C 0.160 176.670 176.519 -0.016 0.000 1.280 8 W CA -0.538 56.798 57.345 -0.015 0.000 1.549 8 W CB 0.377 29.829 29.460 -0.014 0.000 1.079 8 W HN -0.126 nan 8.180 nan 0.000 0.629 9 L N -0.267 121.032 121.223 0.126 0.000 2.257 9 L HA 0.638 4.982 4.340 0.007 0.000 0.257 9 L C -0.459 176.417 176.870 0.010 0.000 1.033 9 L CA -1.333 53.553 54.840 0.077 0.000 0.835 9 L CB 1.957 44.062 42.059 0.076 0.000 1.398 9 L HN -0.341 nan 8.230 nan 0.000 0.429 10 I N -0.165 120.404 120.570 -0.002 0.000 2.646 10 I HA 0.250 4.424 4.170 0.007 0.000 0.299 10 I C -0.468 175.619 176.117 -0.048 0.000 1.036 10 I CA -0.894 60.382 61.300 -0.039 0.000 1.074 10 I CB 1.967 39.949 38.000 -0.030 0.000 1.258 10 I HN 0.474 nan 8.210 nan 0.000 0.430 11 Q N 4.284 124.036 119.800 -0.079 0.000 2.315 11 Q HA 0.127 4.471 4.340 0.007 0.000 0.289 11 Q C -2.269 173.694 176.000 -0.061 0.000 1.044 11 Q CA -1.249 54.508 55.803 -0.077 0.000 0.920 11 Q CB -0.059 28.614 28.738 -0.108 0.000 1.214 11 Q HN 0.206 nan 8.270 nan 0.000 0.392 12 P HA 0.035 nan 4.420 nan 0.000 0.268 12 P C 0.623 177.899 177.300 -0.040 0.000 1.204 12 P CA 0.752 63.832 63.100 -0.034 0.000 0.768 12 P CB 0.485 32.169 31.700 -0.027 0.000 0.842 13 G N 1.670 110.450 108.800 -0.033 0.000 2.176 13 G HA2 -0.220 3.744 3.960 0.007 0.000 0.253 13 G HA3 -0.220 3.744 3.960 0.007 0.000 0.253 13 G C -0.156 174.719 174.900 -0.042 0.000 0.979 13 G CA -0.281 44.800 45.100 -0.032 0.000 0.641 13 G HN 0.462 nan 8.290 nan 0.000 0.530 14 L N 0.721 121.909 121.223 -0.057 0.000 2.289 14 L HA 0.459 4.803 4.340 0.007 0.000 0.285 14 L C 0.032 176.864 176.870 -0.064 0.000 1.049 14 L CA -0.625 54.171 54.840 -0.074 0.000 0.804 14 L CB 1.219 43.211 42.059 -0.113 0.000 1.195 14 L HN 0.161 nan 8.230 nan 0.000 0.428 15 N N 4.289 122.948 118.700 -0.068 0.000 2.417 15 N HA 0.571 5.315 4.740 0.007 0.000 0.274 15 N C -1.165 174.298 175.510 -0.078 0.000 0.987 15 N CA -0.606 52.410 53.050 -0.056 0.000 0.912 15 N CB 1.737 40.203 38.487 -0.035 0.000 1.177 15 N HN 0.380 nan 8.380 nan 0.000 0.490 16 L N 3.323 124.495 121.223 -0.084 0.000 2.325 16 L HA 0.674 5.018 4.340 0.007 0.000 0.278 16 L C -0.150 176.584 176.870 -0.227 0.000 1.023 16 L CA -1.121 53.630 54.840 -0.148 0.000 0.811 16 L CB 1.039 43.003 42.059 -0.157 0.000 1.249 16 L HN 0.494 nan 8.230 nan 0.000 0.431 17 I N -1.634 118.798 120.570 -0.229 0.000 2.828 17 I HA 0.621 4.795 4.170 0.007 0.000 0.302 17 I C -1.054 174.930 176.117 -0.222 0.000 1.101 17 I CA -0.631 60.556 61.300 -0.188 0.000 1.031 17 I CB 2.481 40.490 38.000 0.015 0.000 1.231 17 I HN 0.498 nan 8.210 nan 0.000 0.427 18 H N 2.353 121.493 119.070 0.117 0.000 2.851 18 H HA 0.430 4.990 4.556 0.006 0.000 0.372 18 H C -2.762 172.308 175.328 -0.430 0.000 1.158 18 H CA -1.943 53.945 56.048 -0.266 0.000 1.159 18 H CB 2.347 31.972 29.762 -0.228 0.000 1.757 18 H HN 0.418 nan 8.280 nan 0.000 0.546 19 P HA 0.100 nan 4.420 nan 0.000 0.269 19 P C 0.444 177.019 177.300 -1.207 0.000 1.252 19 P CA 0.106 62.669 63.100 -0.896 0.000 0.780 19 P CB 0.609 31.630 31.700 -1.132 0.000 0.829 20 L N 1.735 122.565 121.223 -0.655 0.000 2.672 20 L HA 0.280 4.624 4.340 0.007 0.000 0.236 20 L C 1.138 177.970 176.870 -0.063 0.000 1.092 20 L CA 0.379 54.981 54.840 -0.397 0.000 0.887 20 L CB 0.338 42.315 42.059 -0.137 0.000 1.168 20 L HN 0.381 nan 8.230 nan 0.000 0.502 21 Q N 0.832 120.644 119.800 0.020 0.000 2.268 21 Q HA 0.320 4.664 4.340 0.007 0.000 0.266 21 Q C -1.314 174.911 176.000 0.376 0.000 1.006 21 Q CA -0.385 55.574 55.803 0.260 0.000 0.824 21 Q CB 3.319 32.148 28.738 0.151 0.000 1.306 21 Q HN -0.141 nan 8.270 nan 0.000 0.424 22 V N 5.371 125.570 119.914 0.475 0.000 2.485 22 V HA -0.012 4.112 4.120 0.007 0.000 0.287 22 V C 0.564 176.854 176.094 0.327 0.000 1.022 22 V CA 0.812 63.360 62.300 0.414 0.000 1.067 22 V CB 0.110 32.097 31.823 0.273 0.000 0.967 22 V HN 0.812 nan 8.190 nan 0.000 0.479 23 F N 3.414 123.499 119.950 0.224 0.000 2.383 23 F HA 0.341 4.872 4.527 0.006 0.000 0.287 23 F C 0.997 176.894 175.800 0.161 0.000 1.069 23 F CA 0.687 58.788 58.000 0.168 0.000 1.402 23 F CB 0.578 39.672 39.000 0.155 0.000 1.116 23 F HN 0.543 nan 8.300 nan 0.000 0.549 24 E N 0.288 120.604 120.200 0.194 0.000 2.372 24 E HA 0.491 4.845 4.350 0.007 0.000 0.279 24 E C -1.955 174.818 176.600 0.288 0.000 0.946 24 E CA -0.765 55.691 56.400 0.092 0.000 0.769 24 E CB 2.489 32.228 29.700 0.065 0.000 1.230 24 E HN -0.122 nan 8.360 nan 0.000 0.442 25 V N 2.635 122.656 119.914 0.178 0.000 2.604 25 V HA 0.531 4.655 4.120 0.007 0.000 0.305 25 V C -0.663 175.531 176.094 0.166 0.000 1.043 25 V CA -0.613 61.793 62.300 0.176 0.000 0.888 25 V CB 1.649 33.534 31.823 0.103 0.000 0.995 25 V HN 0.741 nan 8.190 nan 0.000 0.429 26 E N 3.417 123.721 120.200 0.174 0.000 2.321 26 E HA 0.506 4.860 4.350 0.007 0.000 0.278 26 E C -1.210 175.463 176.600 0.122 0.000 0.902 26 E CA -0.840 55.651 56.400 0.152 0.000 0.758 26 E CB 2.272 32.096 29.700 0.206 0.000 1.213 26 E HN 0.689 nan 8.360 nan 0.000 0.426 27 Q N 3.170 123.031 119.800 0.103 0.000 2.303 27 Q HA 0.215 4.559 4.340 0.007 0.000 0.257 27 Q C -1.024 175.030 176.000 0.090 0.000 0.941 27 Q CA -0.359 55.505 55.803 0.102 0.000 0.931 27 Q CB 1.296 30.090 28.738 0.093 0.000 1.215 27 Q HN 0.557 nan 8.270 nan 0.000 0.437 28 Q N 4.200 124.052 119.800 0.087 0.000 2.506 28 Q HA 0.152 4.496 4.340 0.007 0.000 0.242 28 Q C -0.846 175.196 176.000 0.070 0.000 1.060 28 Q CA -0.475 55.368 55.803 0.067 0.000 0.826 28 Q CB 1.081 29.849 28.738 0.049 0.000 1.169 28 Q HN 0.959 nan 8.270 nan 0.000 0.521 29 D N 2.285 122.725 120.400 0.067 0.000 4.134 29 D HA -0.273 4.371 4.640 0.007 0.000 0.141 29 D C 0.272 176.634 176.300 0.102 0.000 0.779 29 D CA 2.378 56.420 54.000 0.070 0.000 1.126 29 D CB -0.741 40.093 40.800 0.057 0.000 0.523 29 D HN 0.712 nan 8.370 nan 0.000 0.513 30 N N 1.708 120.485 118.700 0.128 0.000 2.273 30 N HA 0.158 4.902 4.740 0.007 0.000 0.231 30 N C -0.622 175.087 175.510 0.331 0.000 1.134 30 N CA 0.106 53.274 53.050 0.196 0.000 0.856 30 N CB 0.181 38.766 38.487 0.163 0.000 1.068 30 N HN 0.532 nan 8.380 nan 0.000 0.510 31 E N 0.246 120.588 120.200 0.237 0.000 2.312 31 E HA 0.376 4.730 4.350 0.007 0.000 0.267 31 E C -1.124 175.566 176.600 0.150 0.000 0.894 31 E CA -0.742 55.764 56.400 0.177 0.000 0.773 31 E CB 2.633 32.376 29.700 0.072 0.000 1.241 31 E HN 0.102 nan 8.360 nan 0.000 0.432 32 M N 2.569 122.226 119.600 0.095 0.000 2.253 32 M HA 0.375 4.859 4.480 0.007 0.000 0.314 32 M C -1.855 174.535 176.300 0.150 0.000 1.019 32 M CA -0.799 54.590 55.300 0.150 0.000 0.932 32 M CB 1.462 34.184 32.600 0.204 0.000 1.606 32 M HN 0.276 nan 8.290 nan 0.000 0.430 33 V N 5.581 125.548 119.914 0.090 0.000 2.417 33 V HA 0.523 4.647 4.120 0.007 0.000 0.291 33 V C -0.602 175.485 176.094 -0.012 0.000 1.024 33 V CA -0.716 61.567 62.300 -0.028 0.000 0.861 33 V CB 1.698 33.441 31.823 -0.134 0.000 0.985 33 V HN 0.668 nan 8.190 nan 0.000 0.436 34 V N 5.351 125.274 119.914 0.014 0.000 2.384 34 V HA 0.435 4.559 4.120 0.007 0.000 0.287 34 V C -0.947 175.151 176.094 0.007 0.000 1.020 34 V CA -0.791 61.582 62.300 0.121 0.000 0.850 34 V CB 1.377 33.393 31.823 0.321 0.000 0.987 34 V HN 0.731 nan 8.190 nan 0.000 0.436 35 Y N 2.959 123.426 120.300 0.278 0.000 2.350 35 Y HA 0.668 5.222 4.550 0.006 0.000 0.340 35 Y C 0.541 176.646 175.900 0.342 0.000 1.006 35 Y CA -0.359 57.914 58.100 0.288 0.000 1.166 35 Y CB 1.458 40.103 38.460 0.309 0.000 1.168 35 Y HN 0.705 nan 8.280 nan 0.000 0.502 36 A N 2.530 125.598 122.820 0.414 0.000 2.353 36 A HA 0.843 5.167 4.320 0.007 0.000 0.299 36 A C -0.685 177.042 177.584 0.237 0.000 1.089 36 A CA -0.662 51.563 52.037 0.313 0.000 0.736 36 A CB 0.484 19.585 19.000 0.169 0.000 1.195 36 A HN 0.805 nan 8.150 nan 0.000 0.447 37 A N 3.587 126.514 122.820 0.178 0.000 2.302 37 A HA 0.766 5.090 4.320 0.007 0.000 0.285 37 A C -1.846 175.782 177.584 0.073 0.000 1.105 37 A CA -1.600 50.502 52.037 0.109 0.000 0.816 37 A CB 0.317 19.361 19.000 0.073 0.000 1.067 37 A HN 0.546 nan 8.150 nan 0.000 0.489 38 P HA 0.114 nan 4.420 nan 0.000 0.257 38 P C -0.219 177.083 177.300 0.003 0.000 1.325 38 P CA 0.347 63.488 63.100 0.068 0.000 0.850 38 P CB -0.142 31.621 31.700 0.105 0.000 1.324 39 R N -2.567 117.922 120.500 -0.018 0.000 2.762 39 R HA 0.479 4.823 4.340 0.007 0.000 0.271 39 R C -1.381 174.886 176.300 -0.055 0.000 1.038 39 R CA -0.902 55.157 56.100 -0.069 0.000 0.906 39 R CB -0.423 29.797 30.300 -0.132 0.000 1.259 39 R HN -0.375 nan 8.270 nan 0.000 0.457 40 D N 1.052 121.387 120.400 -0.109 0.000 2.358 40 D HA 0.148 4.792 4.640 0.007 0.000 0.258 40 D C 0.314 176.610 176.300 -0.007 0.000 1.223 40 D CA -0.157 53.807 54.000 -0.060 0.000 0.886 40 D CB 1.534 42.269 40.800 -0.109 0.000 1.120 40 D HN 0.514 nan 8.370 nan 0.000 0.482 41 V N 1.779 121.761 119.914 0.112 0.000 2.909 41 V HA 0.348 4.472 4.120 0.007 0.000 0.362 41 V C 1.576 177.828 176.094 0.263 0.000 1.356 41 V CA -0.485 61.936 62.300 0.203 0.000 1.195 41 V CB -0.065 31.843 31.823 0.141 0.000 1.256 41 V HN 0.359 nan 8.190 nan 0.000 0.567 42 R N 1.214 121.839 120.500 0.208 0.000 2.115 42 R HA 0.077 4.421 4.340 0.007 0.000 0.230 42 R C 0.445 176.855 176.300 0.184 0.000 1.111 42 R CA 1.229 57.437 56.100 0.181 0.000 0.976 42 R CB 0.182 30.550 30.300 0.114 0.000 0.870 42 R HN 0.721 nan 8.270 nan 0.000 0.445 43 E N 0.162 120.496 120.200 0.223 0.000 2.242 43 E HA 0.171 4.525 4.350 0.007 0.000 0.275 43 E C 0.376 177.062 176.600 0.142 0.000 1.002 43 E CA -0.580 55.923 56.400 0.171 0.000 0.841 43 E CB 1.227 31.031 29.700 0.173 0.000 1.109 43 E HN 0.053 nan 8.360 nan 0.000 0.394 44 R N 0.682 121.224 120.500 0.069 0.000 2.159 44 R HA -0.134 4.210 4.340 0.007 0.000 0.237 44 R C 2.039 178.313 176.300 -0.043 0.000 1.131 44 R CA 1.319 57.440 56.100 0.034 0.000 0.982 44 R CB -0.461 29.849 30.300 0.016 0.000 0.868 44 R HN 0.516 nan 8.270 nan 0.000 0.453 45 T N -0.741 113.724 114.554 -0.147 0.000 2.962 45 T HA -0.119 4.235 4.350 0.007 0.000 0.270 45 T C 0.909 175.328 174.700 -0.468 0.000 1.088 45 T CA 0.962 62.841 62.100 -0.369 0.000 1.127 45 T CB -0.095 68.453 68.868 -0.535 0.000 0.883 45 T HN 0.480 nan 8.240 nan 0.000 0.493 46 W N 0.808 122.110 121.300 0.003 0.000 3.220 46 W HA 0.355 5.017 4.660 0.003 0.000 0.328 46 W C 1.236 177.736 176.519 -0.031 0.000 1.205 46 W CA -0.724 56.617 57.345 -0.007 0.000 1.773 46 W CB 0.473 29.937 29.460 0.006 0.000 1.086 46 W HN 0.127 nan 8.180 nan 0.000 0.622 47 Q N 1.834 121.702 119.800 0.113 0.000 2.938 47 Q HA 0.264 4.608 4.340 0.007 0.000 0.343 47 Q C -0.660 175.318 176.000 -0.036 0.000 1.185 47 Q CA 0.135 55.940 55.803 0.003 0.000 0.939 47 Q CB -0.473 28.262 28.738 -0.004 0.000 1.480 47 Q HN 0.230 nan 8.270 nan 0.000 0.442 48 L N -5.304 115.923 121.223 0.006 0.000 3.002 48 L HA 0.426 4.770 4.340 0.007 0.000 0.267 48 L C -1.181 175.711 176.870 0.037 0.000 0.997 48 L CA -1.161 53.674 54.840 -0.009 0.000 0.961 48 L CB 1.011 43.053 42.059 -0.027 0.000 1.502 48 L HN -0.152 nan 8.230 nan 0.000 0.408 49 D N -0.049 120.364 120.400 0.023 0.000 2.697 49 D HA -0.133 4.511 4.640 0.007 0.000 0.238 49 D C -0.213 176.124 176.300 0.061 0.000 1.152 49 D CA 1.838 55.865 54.000 0.046 0.000 0.666 49 D CB -0.684 40.156 40.800 0.067 0.000 1.037 49 D HN 1.036 nan 8.370 nan 0.000 0.423 50 T N -1.190 113.382 114.554 0.029 0.000 2.932 50 T HA 0.528 4.882 4.350 0.007 0.000 0.318 50 T C -2.607 172.083 174.700 -0.016 0.000 1.265 50 T CA -1.304 60.804 62.100 0.014 0.000 1.036 50 T CB 1.732 70.611 68.868 0.019 0.000 1.209 50 T HN -0.233 nan 8.240 nan 0.000 0.484 51 P HA 0.523 nan 4.420 nan 0.000 0.272 51 P C -1.218 176.005 177.300 -0.127 0.000 1.240 51 P CA -0.725 62.322 63.100 -0.088 0.000 0.791 51 P CB 0.452 32.034 31.700 -0.196 0.000 0.978 52 L N 1.072 122.195 121.223 -0.167 0.000 2.493 52 L HA 0.450 4.794 4.340 0.007 0.000 0.265 52 L C -1.315 175.465 176.870 -0.151 0.000 0.954 52 L CA -0.751 54.037 54.840 -0.087 0.000 0.844 52 L CB 1.285 43.336 42.059 -0.014 0.000 1.302 52 L HN 0.267 nan 8.230 nan 0.000 0.405 53 F N 1.438 121.424 119.950 0.061 0.000 2.399 53 F HA 0.424 4.955 4.527 0.006 0.000 0.334 53 F C 0.572 176.421 175.800 0.082 0.000 1.097 53 F CA -0.197 57.832 58.000 0.049 0.000 1.076 53 F CB 2.049 41.041 39.000 -0.014 0.000 1.162 53 F HN 0.271 nan 8.300 nan 0.000 0.495 54 T N 4.992 119.675 114.554 0.216 0.000 2.809 54 T HA 0.521 4.875 4.350 0.007 0.000 0.296 54 T C -0.623 174.073 174.700 -0.007 0.000 1.015 54 T CA -0.517 61.602 62.100 0.031 0.000 0.954 54 T CB 0.433 69.307 68.868 0.010 0.000 0.950 54 T HN 0.171 nan 8.240 nan 0.000 0.450 55 L N 3.539 124.728 121.223 -0.057 0.000 2.272 55 L HA 0.570 4.914 4.340 0.007 0.000 0.289 55 L C 0.446 177.139 176.870 -0.296 0.000 1.032 55 L CA -0.409 54.335 54.840 -0.160 0.000 0.810 55 L CB 1.037 43.078 42.059 -0.029 0.000 1.205 55 L HN 0.409 nan 8.230 nan 0.000 0.422 56 R N 3.150 123.403 120.500 -0.411 0.000 2.343 56 R HA 0.596 4.940 4.340 0.007 0.000 0.320 56 R C -1.542 174.473 176.300 -0.475 0.000 0.956 56 R CA -0.457 55.453 56.100 -0.316 0.000 0.836 56 R CB 0.761 30.933 30.300 -0.214 0.000 1.151 56 R HN 0.364 nan 8.270 nan 0.000 0.450 57 F N 6.108 125.953 119.950 -0.174 0.000 2.458 57 F HA 0.521 5.052 4.527 0.006 0.000 0.336 57 F C -0.333 175.027 175.800 -0.733 0.000 1.114 57 F CA -0.632 57.091 58.000 -0.461 0.000 0.987 57 F CB 1.305 39.917 39.000 -0.648 0.000 1.130 57 F HN 0.428 nan 8.300 nan 0.000 0.458 58 F N -0.244 119.306 119.950 -0.667 0.000 2.686 58 F HA 0.735 5.266 4.527 0.007 0.000 0.311 58 F C -1.082 174.781 175.800 0.105 0.000 1.128 58 F CA -1.580 56.236 58.000 -0.308 0.000 0.946 58 F CB 1.551 40.489 39.000 -0.103 0.000 1.336 58 F HN 0.249 nan 8.300 nan 0.000 0.457 59 S N 1.803 117.721 115.700 0.362 0.000 2.707 59 S HA 0.540 5.014 4.470 0.007 0.000 0.303 59 S C -2.216 172.483 174.600 0.165 0.000 1.132 59 S CA -1.374 56.947 58.200 0.202 0.000 1.046 59 S CB 1.512 64.874 63.200 0.270 0.000 1.004 59 S HN 0.608 nan 8.310 nan 0.000 0.483 60 P HA 0.158 nan 4.420 nan 0.000 0.235 60 P C -0.464 176.793 177.300 -0.071 0.000 1.177 60 P CA 0.494 63.625 63.100 0.051 0.000 0.785 60 P CB 0.325 32.028 31.700 0.005 0.000 0.885 61 Q N -0.714 118.985 119.800 -0.167 0.000 2.527 61 Q HA 0.161 4.505 4.340 0.007 0.000 0.280 61 Q C -0.629 175.297 176.000 -0.124 0.000 0.977 61 Q CA -0.629 55.084 55.803 -0.151 0.000 0.837 61 Q CB 1.636 30.228 28.738 -0.244 0.000 1.454 61 Q HN -0.009 nan 8.270 nan 0.000 0.387 62 E N 0.280 120.430 120.200 -0.084 0.000 2.465 62 E HA 0.104 4.458 4.350 0.007 0.000 0.260 62 E C 0.644 177.198 176.600 -0.077 0.000 0.980 62 E CA 1.674 58.033 56.400 -0.068 0.000 0.927 62 E CB 0.295 29.962 29.700 -0.055 0.000 0.934 62 E HN 0.799 nan 8.360 nan 0.000 0.459 63 G N 4.291 113.055 108.800 -0.060 0.000 2.155 63 G HA2 -0.262 3.702 3.960 0.007 0.000 0.257 63 G HA3 -0.262 3.702 3.960 0.007 0.000 0.257 63 G C 0.307 175.177 174.900 -0.048 0.000 0.983 63 G CA 0.493 45.567 45.100 -0.044 0.000 0.676 63 G HN 0.520 nan 8.290 nan 0.000 0.528 64 I N 0.351 120.868 120.570 -0.089 0.000 2.389 64 I HA 0.517 4.691 4.170 0.007 0.000 0.288 64 I C -0.055 176.052 176.117 -0.018 0.000 0.999 64 I CA -1.082 60.151 61.300 -0.112 0.000 1.129 64 I CB 2.110 39.885 38.000 -0.374 0.000 1.288 64 I HN -0.037 nan 8.210 nan 0.000 0.444 65 V N 6.690 126.638 119.914 0.058 0.000 2.328 65 V HA 0.661 4.785 4.120 0.007 0.000 0.278 65 V C 0.421 176.458 176.094 -0.095 0.000 1.021 65 V CA -0.154 62.207 62.300 0.101 0.000 0.838 65 V CB 1.159 33.166 31.823 0.308 0.000 0.999 65 V HN 0.828 nan 8.190 nan 0.000 0.447 66 G N 5.553 114.059 108.800 -0.490 0.000 2.390 66 G HA2 0.521 4.485 3.960 0.007 0.000 0.270 66 G HA3 0.521 4.485 3.960 0.007 0.000 0.270 66 G C -0.828 173.546 174.900 -0.876 0.000 1.211 66 G CA -0.275 44.123 45.100 -1.171 0.000 0.842 66 G HN 0.919 nan 8.290 nan 0.000 0.519 67 V N 3.043 122.477 119.914 -0.800 0.000 2.443 67 V HA 0.475 4.599 4.120 0.007 0.000 0.293 67 V C 0.134 175.927 176.094 -0.502 0.000 1.021 67 V CA -0.881 60.990 62.300 -0.715 0.000 0.848 67 V CB 1.440 32.764 31.823 -0.830 0.000 0.998 67 V HN 0.823 nan 8.190 nan 0.000 0.424 68 R N 5.266 125.593 120.500 -0.289 0.000 2.310 68 R HA 0.675 5.019 4.340 0.007 0.000 0.324 68 R C -1.296 174.963 176.300 -0.068 0.000 0.955 68 R CA -0.547 55.514 56.100 -0.065 0.000 0.830 68 R CB 1.080 31.376 30.300 -0.006 0.000 1.154 68 R HN 0.736 nan 8.270 nan 0.000 0.458 69 I N 4.732 125.351 120.570 0.082 0.000 2.330 69 I HA 0.278 4.452 4.170 0.007 0.000 0.289 69 I C -0.228 176.044 176.117 0.258 0.000 1.001 69 I CA -0.513 60.866 61.300 0.131 0.000 1.193 69 I CB 1.631 39.704 38.000 0.121 0.000 1.345 69 I HN 0.510 nan 8.210 nan 0.000 0.461 70 E N 4.563 124.911 120.200 0.246 0.000 2.256 70 E HA 0.366 4.720 4.350 0.007 0.000 0.267 70 E C -0.328 176.402 176.600 0.217 0.000 0.892 70 E CA -0.717 55.839 56.400 0.260 0.000 0.775 70 E CB 2.770 32.571 29.700 0.167 0.000 1.207 70 E HN 0.590 nan 8.360 nan 0.000 0.420 71 H N 1.992 121.052 119.070 -0.017 0.000 2.560 71 H HA 0.200 4.760 4.556 0.007 0.000 0.324 71 H C -0.251 175.053 175.328 -0.039 0.000 1.329 71 H CA -0.118 55.731 56.048 -0.331 0.000 2.007 71 H CB 0.303 29.548 29.762 -0.861 0.000 1.551 71 H HN 0.303 nan 8.280 nan 0.000 0.623 72 F N 1.873 121.598 119.950 -0.374 0.000 2.412 72 F HA 0.158 4.688 4.527 0.007 0.000 0.348 72 F C 1.335 177.075 175.800 -0.099 0.000 1.102 72 F CA -0.138 57.667 58.000 -0.324 0.000 1.196 72 F CB 1.379 40.203 39.000 -0.294 0.000 1.144 72 F HN 0.446 nan 8.300 nan 0.000 0.541 73 Q N 1.466 121.312 119.800 0.077 0.000 2.356 73 Q HA 0.119 4.463 4.340 0.007 0.000 0.205 73 Q C 1.906 177.911 176.000 0.007 0.000 0.901 73 Q CA 0.365 56.183 55.803 0.026 0.000 0.938 73 Q CB 0.345 29.073 28.738 -0.018 0.000 1.081 73 Q HN 0.992 nan 8.270 nan 0.000 0.517 74 G N 0.427 109.216 108.800 -0.018 0.000 2.920 74 G HA2 0.192 4.156 3.960 0.007 0.000 0.208 74 G HA3 0.192 4.156 3.960 0.007 0.000 0.208 74 G C 0.489 175.397 174.900 0.013 0.000 1.159 74 G CA 0.298 45.372 45.100 -0.043 0.000 0.784 74 G HN 0.331 nan 8.290 nan 0.000 0.535 75 A N -0.097 122.771 122.820 0.079 0.000 2.507 75 A HA 0.412 4.736 4.320 0.007 0.000 0.235 75 A C 1.573 179.208 177.584 0.085 0.000 1.070 75 A CA -0.319 51.783 52.037 0.109 0.000 0.768 75 A CB 0.377 19.481 19.000 0.174 0.000 1.011 75 A HN 0.211 nan 8.150 nan 0.000 0.502 76 L N 0.974 122.246 121.223 0.083 0.000 1.989 76 L HA -0.225 4.119 4.340 0.007 0.000 0.211 76 L C 0.734 177.661 176.870 0.095 0.000 1.071 76 L CA 1.823 56.707 54.840 0.074 0.000 0.749 76 L CB -0.736 41.363 42.059 0.067 0.000 0.890 76 L HN 0.956 nan 8.230 nan 0.000 0.431 77 N N 0.846 119.627 118.700 0.135 0.000 2.667 77 N HA -0.170 4.574 4.740 0.007 0.000 0.263 77 N C -0.673 174.931 175.510 0.157 0.000 1.038 77 N CA -0.179 52.982 53.050 0.184 0.000 0.749 77 N CB -1.090 37.523 38.487 0.210 0.000 0.892 77 N HN 0.395 nan 8.380 nan 0.000 0.546 78 N N 0.378 119.139 118.700 0.102 0.000 2.424 78 N HA 0.272 5.016 4.740 0.007 0.000 0.257 78 N C 1.237 176.687 175.510 -0.099 0.000 1.250 78 N CA 0.188 53.266 53.050 0.047 0.000 0.946 78 N CB 0.487 38.993 38.487 0.032 0.000 1.175 78 N HN 0.365 nan 8.380 nan 0.000 0.477 79 G N 0.405 109.055 108.800 -0.250 0.000 2.647 79 G HA2 0.163 4.127 3.960 0.007 0.000 0.271 79 G HA3 0.163 4.127 3.960 0.007 0.000 0.271 79 G C -2.266 172.424 174.900 -0.349 0.000 1.300 79 G CA -0.439 44.298 45.100 -0.604 0.000 0.997 79 G HN 0.360 nan 8.290 nan 0.000 0.533 80 P HA 0.239 nan 4.420 nan 0.000 0.276 80 P C -0.860 175.991 177.300 -0.748 0.000 1.252 80 P CA -0.210 62.581 63.100 -0.514 0.000 0.802 80 P CB 1.158 32.616 31.700 -0.404 0.000 1.035 81 H N -0.583 118.288 119.070 -0.331 0.000 2.670 81 H HA 0.297 4.857 4.556 0.007 0.000 0.361 81 H C 0.009 175.127 175.328 -0.351 0.000 1.169 81 H CA -0.319 55.550 56.048 -0.299 0.000 1.198 81 H CB 0.300 29.979 29.762 -0.139 0.000 1.700 81 H HN 0.347 nan 8.280 nan 0.000 0.542 82 Y N 1.983 122.207 120.300 -0.127 0.000 2.597 82 Y HA 0.023 4.577 4.550 0.007 0.000 0.336 82 Y C -1.396 174.356 175.900 -0.247 0.000 1.216 82 Y CA -1.967 56.002 58.100 -0.218 0.000 1.463 82 Y CB 0.023 38.391 38.460 -0.154 0.000 1.303 82 Y HN 0.336 nan 8.280 nan 0.000 0.576 83 P HA 0.068 nan 4.420 nan 0.000 0.226 83 P C -0.830 176.301 177.300 -0.281 0.000 1.783 83 P CA -0.049 62.920 63.100 -0.218 0.000 0.980 83 P CB -0.231 31.257 31.700 -0.353 0.000 1.967 84 L N 2.109 123.159 121.223 -0.288 0.000 2.371 84 L HA 0.210 4.554 4.340 0.007 0.000 0.272 84 L C 0.967 177.681 176.870 -0.260 0.000 1.124 84 L CA 0.174 54.720 54.840 -0.490 0.000 0.816 84 L CB -0.194 41.550 42.059 -0.526 0.000 1.129 84 L HN 0.095 nan 8.230 nan 0.000 0.448 85 N N 4.634 123.190 118.700 -0.241 0.000 2.482 85 N HA 0.250 4.994 4.740 0.007 0.000 0.242 85 N C -0.484 175.092 175.510 0.109 0.000 1.100 85 N CA 0.080 53.105 53.050 -0.042 0.000 0.946 85 N CB 0.543 39.002 38.487 -0.048 0.000 1.227 85 N HN 0.428 nan 8.380 nan 0.000 0.508 86 I N 3.242 123.870 120.570 0.097 0.000 2.330 86 I HA 0.254 4.428 4.170 0.007 0.000 0.289 86 I C 0.237 176.416 176.117 0.103 0.000 1.001 86 I CA -0.576 60.820 61.300 0.159 0.000 1.193 86 I CB 1.053 39.160 38.000 0.179 0.000 1.345 86 I HN 0.124 nan 8.210 nan 0.000 0.461 87 L N 6.177 127.457 121.223 0.095 0.000 2.357 87 L HA 0.286 4.630 4.340 0.007 0.000 0.273 87 L C 1.055 177.977 176.870 0.086 0.000 1.080 87 L CA -0.572 54.308 54.840 0.067 0.000 0.803 87 L CB 1.091 43.175 42.059 0.041 0.000 1.174 87 L HN 0.593 nan 8.230 nan 0.000 0.443 88 Q N 1.237 121.077 119.800 0.066 0.000 2.396 88 Q HA -0.000 4.344 4.340 0.007 0.000 0.209 88 Q C 0.090 176.131 176.000 0.069 0.000 0.906 88 Q CA 0.434 56.279 55.803 0.070 0.000 0.927 88 Q CB 0.322 29.088 28.738 0.048 0.000 1.069 88 Q HN 0.756 nan 8.270 nan 0.000 0.523 89 D N -0.604 119.829 120.400 0.056 0.000 2.650 89 D HA 0.089 4.733 4.640 0.007 0.000 0.265 89 D C 0.013 176.335 176.300 0.037 0.000 1.339 89 D CA -0.466 53.561 54.000 0.044 0.000 0.816 89 D CB -0.015 40.802 40.800 0.029 0.000 1.091 89 D HN -0.244 nan 8.370 nan 0.000 0.483 90 V N 1.479 121.422 119.914 0.048 0.000 2.599 90 V HA -0.053 4.071 4.120 0.007 0.000 0.300 90 V C 1.007 177.110 176.094 0.014 0.000 1.034 90 V CA -0.170 62.146 62.300 0.027 0.000 1.115 90 V CB 0.729 32.574 31.823 0.037 0.000 0.934 90 V HN 0.229 nan 8.190 nan 0.000 0.485 91 K N 5.517 125.908 120.400 -0.015 0.000 2.378 91 K HA 0.352 4.676 4.320 0.007 0.000 0.288 91 K C -0.576 175.978 176.600 -0.076 0.000 1.057 91 K CA -0.234 56.032 56.287 -0.034 0.000 0.971 91 K CB 0.672 33.149 32.500 -0.039 0.000 0.975 91 K HN 0.628 nan 8.250 nan 0.000 0.475 92 V N 0.491 120.347 119.914 -0.097 0.000 3.074 92 V HA 0.592 4.716 4.120 0.007 0.000 0.314 92 V C -0.619 175.347 176.094 -0.213 0.000 1.117 92 V CA -0.812 61.351 62.300 -0.229 0.000 1.014 92 V CB 1.940 33.552 31.823 -0.351 0.000 1.057 92 V HN 0.673 nan 8.190 nan 0.000 0.438 93 T N 3.109 117.475 114.554 -0.313 0.000 2.807 93 T HA 0.743 5.097 4.350 0.007 0.000 0.279 93 T C -0.622 173.945 174.700 -0.221 0.000 0.993 93 T CA -0.099 61.875 62.100 -0.209 0.000 0.970 93 T CB 0.922 69.686 68.868 -0.173 0.000 0.950 93 T HN 0.655 nan 8.240 nan 0.000 0.441 94 I N 3.968 124.487 120.570 -0.085 0.000 2.439 94 I HA 0.356 4.530 4.170 0.007 0.000 0.285 94 I C -0.132 175.983 176.117 -0.003 0.000 1.021 94 I CA -0.721 60.577 61.300 -0.004 0.000 1.091 94 I CB 1.595 39.657 38.000 0.103 0.000 1.242 94 I HN 0.623 nan 8.210 nan 0.000 0.439 95 E N 4.997 125.191 120.200 -0.011 0.000 2.191 95 E HA 0.387 4.741 4.350 0.007 0.000 0.263 95 E C -1.259 175.348 176.600 0.012 0.000 0.881 95 E CA -0.890 55.508 56.400 -0.004 0.000 0.757 95 E CB 2.222 31.913 29.700 -0.015 0.000 1.147 95 E HN 0.368 nan 8.360 nan 0.000 0.414 96 N N 2.997 121.708 118.700 0.018 0.000 2.558 96 N HA 0.157 4.901 4.740 0.007 0.000 0.242 96 N C -1.100 174.418 175.510 0.013 0.000 0.979 96 N CA -0.136 52.927 53.050 0.021 0.000 0.931 96 N CB 1.287 39.790 38.487 0.027 0.000 1.122 96 N HN 0.681 nan 8.380 nan 0.000 0.508 97 T N -0.310 114.253 114.554 0.015 0.000 2.870 97 T HA 0.345 4.699 4.350 0.007 0.000 0.277 97 T C 0.912 175.589 174.700 -0.039 0.000 1.000 97 T CA -0.398 61.698 62.100 -0.006 0.000 0.982 97 T CB 1.176 70.050 68.868 0.009 0.000 1.249 97 T HN 0.179 nan 8.240 nan 0.000 0.589 98 E N -0.520 119.641 120.200 -0.065 0.000 2.358 98 E HA 0.089 4.443 4.350 0.007 0.000 0.195 98 E C 2.081 178.592 176.600 -0.149 0.000 1.010 98 E CA 0.918 57.267 56.400 -0.085 0.000 0.856 98 E CB -0.087 29.570 29.700 -0.072 0.000 0.795 98 E HN 0.628 nan 8.360 nan 0.000 0.504 99 R N -1.784 118.567 120.500 -0.250 0.000 2.128 99 R HA 0.194 4.538 4.340 0.007 0.000 0.211 99 R C -0.109 175.835 176.300 -0.593 0.000 1.067 99 R CA 0.572 56.351 56.100 -0.536 0.000 1.010 99 R CB 0.432 30.195 30.300 -0.895 0.000 0.922 99 R HN 0.084 nan 8.270 nan 0.000 0.457 100 Y N -1.717 118.541 120.300 -0.070 0.000 2.588 100 Y HA 0.592 5.146 4.550 0.007 0.000 0.343 100 Y C -0.940 174.898 175.900 -0.105 0.000 1.065 100 Y CA -1.583 56.452 58.100 -0.110 0.000 1.038 100 Y CB 2.099 40.487 38.460 -0.119 0.000 1.297 100 Y HN -0.136 nan 8.280 nan 0.000 0.467 101 A N 1.857 124.703 122.820 0.043 0.000 2.304 101 A HA 0.659 4.983 4.320 0.007 0.000 0.314 101 A C -1.162 176.340 177.584 -0.135 0.000 1.187 101 A CA -0.539 51.476 52.037 -0.037 0.000 0.810 101 A CB 1.194 20.160 19.000 -0.057 0.000 1.183 101 A HN 0.755 nan 8.150 nan 0.000 0.487 102 E N 1.937 122.072 120.200 -0.108 0.000 2.256 102 E HA 0.592 4.946 4.350 0.007 0.000 0.268 102 E C -2.028 174.527 176.600 -0.076 0.000 0.877 102 E CA -0.483 55.819 56.400 -0.162 0.000 0.757 102 E CB 1.467 31.067 29.700 -0.166 0.000 1.183 102 E HN 0.545 nan 8.360 nan 0.000 0.418 103 F N 4.019 123.810 119.950 -0.265 0.000 2.493 103 F HA 0.511 5.042 4.527 0.007 0.000 0.329 103 F C -1.131 174.601 175.800 -0.115 0.000 1.126 103 F CA -0.595 57.309 58.000 -0.160 0.000 0.937 103 F CB 1.216 40.122 39.000 -0.157 0.000 1.146 103 F HN 0.298 nan 8.300 nan 0.000 0.442 104 K N 4.120 124.125 120.400 -0.658 0.000 2.427 104 K HA 0.596 4.920 4.320 0.007 0.000 0.252 104 K C -1.626 174.666 176.600 -0.514 0.000 0.931 104 K CA -0.646 55.390 56.287 -0.418 0.000 0.793 104 K CB 1.889 34.237 32.500 -0.253 0.000 1.211 104 K HN 0.595 nan 8.250 nan 0.000 0.426 105 S N 2.725 118.260 115.700 -0.275 0.000 2.647 105 S HA 0.628 5.102 4.470 0.007 0.000 0.300 105 S C 0.196 174.735 174.600 -0.103 0.000 1.129 105 S CA 0.485 58.574 58.200 -0.187 0.000 1.029 105 S CB 0.919 64.065 63.200 -0.090 0.000 1.007 105 S HN 1.052 nan 8.310 nan 0.000 0.484 106 G N 5.288 114.031 108.800 -0.095 0.000 2.611 106 G HA2 -0.323 3.641 3.960 0.007 0.000 0.301 106 G HA3 -0.323 3.641 3.960 0.007 0.000 0.301 106 G C 0.463 175.324 174.900 -0.065 0.000 1.233 106 G CA 0.555 45.614 45.100 -0.068 0.000 0.993 106 G HN 0.708 nan 8.290 nan 0.000 0.553 107 N N 0.295 118.968 118.700 -0.045 0.000 2.398 107 N HA 0.180 4.924 4.740 0.007 0.000 0.188 107 N C 0.479 175.970 175.510 -0.033 0.000 1.122 107 N CA 0.544 53.570 53.050 -0.039 0.000 0.866 107 N CB 0.254 38.726 38.487 -0.025 0.000 0.970 107 N HN 0.488 nan 8.380 nan 0.000 0.462 108 L N 0.922 122.129 121.223 -0.026 0.000 2.296 108 L HA 0.424 4.768 4.340 0.007 0.000 0.286 108 L C -0.046 176.828 176.870 0.006 0.000 1.023 108 L CA -0.470 54.375 54.840 0.008 0.000 0.812 108 L CB 1.392 43.474 42.059 0.039 0.000 1.223 108 L HN -0.003 nan 8.230 nan 0.000 0.421 109 S N 3.917 119.624 115.700 0.012 0.000 2.599 109 S HA 0.967 5.441 4.470 0.007 0.000 0.294 109 S C -0.675 173.927 174.600 0.002 0.000 1.094 109 S CA -0.376 57.816 58.200 -0.014 0.000 0.931 109 S CB 1.767 64.902 63.200 -0.109 0.000 1.093 109 S HN 1.048 nan 8.310 nan 0.000 0.488 110 A N 1.746 124.528 122.820 -0.063 0.000 2.303 110 A HA 0.811 5.135 4.320 0.007 0.000 0.320 110 A C -0.191 177.106 177.584 -0.478 0.000 1.192 110 A CA -0.826 50.997 52.037 -0.356 0.000 0.821 110 A CB 0.854 19.693 19.000 -0.269 0.000 1.188 110 A HN 0.873 nan 8.150 nan 0.000 0.492 111 R N 2.359 122.533 120.500 -0.543 0.000 2.513 111 R HA 0.612 4.956 4.340 0.007 0.000 0.301 111 R C -1.816 174.189 176.300 -0.492 0.000 0.968 111 R CA -0.344 55.466 56.100 -0.483 0.000 0.872 111 R CB 1.825 31.835 30.300 -0.484 0.000 1.177 111 R HN 0.509 nan 8.270 nan 0.000 0.444 112 V N 2.771 122.427 119.914 -0.431 0.000 2.513 112 V HA 0.356 4.480 4.120 0.007 0.000 0.299 112 V C -0.184 175.765 176.094 -0.242 0.000 1.035 112 V CA -0.699 61.310 62.300 -0.484 0.000 0.889 112 V CB 1.989 33.507 31.823 -0.508 0.000 0.988 112 V HN 0.785 nan 8.190 nan 0.000 0.440 113 S N 4.425 119.960 115.700 -0.274 0.000 2.475 113 S HA 0.402 4.876 4.470 0.007 0.000 0.281 113 S C 0.012 174.557 174.600 -0.092 0.000 1.198 113 S CA -0.731 57.441 58.200 -0.047 0.000 1.063 113 S CB 0.586 63.799 63.200 0.022 0.000 0.972 113 S HN 0.631 nan 8.310 nan 0.000 0.486 114 K N 1.621 121.984 120.400 -0.062 0.000 2.120 114 K HA 0.615 4.939 4.320 0.007 0.000 0.245 114 K C 1.014 177.612 176.600 -0.003 0.000 1.024 114 K CA -0.085 56.194 56.287 -0.013 0.000 0.906 114 K CB 0.329 32.805 32.500 -0.041 0.000 1.051 114 K HN 0.847 nan 8.250 nan 0.000 0.491 115 G N 0.737 109.548 108.800 0.019 0.000 2.527 115 G HA2 -0.302 3.662 3.960 0.007 0.000 0.227 115 G HA3 -0.302 3.662 3.960 0.007 0.000 0.227 115 G C 0.550 175.412 174.900 -0.064 0.000 1.291 115 G CA 0.248 45.332 45.100 -0.026 0.000 0.904 115 G HN 0.737 nan 8.290 nan 0.000 0.577 116 E N -0.701 119.353 120.200 -0.243 0.000 2.274 116 E HA 0.069 4.423 4.350 0.007 0.000 0.194 116 E C 0.209 176.437 176.600 -0.620 0.000 0.996 116 E CA 0.617 56.707 56.400 -0.517 0.000 0.840 116 E CB -0.045 29.134 29.700 -0.869 0.000 0.772 116 E HN 0.281 nan 8.360 nan 0.000 0.491 117 F N 1.097 121.098 119.950 0.085 0.000 2.310 117 F HA 0.195 4.725 4.527 0.005 0.000 0.365 117 F C -0.033 175.845 175.800 0.130 0.000 1.080 117 F CA -1.102 56.956 58.000 0.097 0.000 1.187 117 F CB 0.139 39.169 39.000 0.050 0.000 1.465 117 F HN 0.059 nan 8.300 nan 0.000 0.496 118 W N 3.240 124.612 121.300 0.121 0.000 2.193 118 W HA 0.386 5.050 4.660 0.006 0.000 0.338 118 W C -0.606 175.963 176.519 0.083 0.000 1.310 118 W CA 0.413 57.806 57.345 0.080 0.000 1.243 118 W CB 1.311 30.797 29.460 0.043 0.000 1.165 118 W HN 0.436 nan 8.180 nan 0.000 0.566 119 S N 6.681 122.046 115.700 -0.559 0.000 2.537 119 S HA 0.520 4.994 4.470 0.007 0.000 0.271 119 S C -1.850 172.335 174.600 -0.692 0.000 1.148 119 S CA -0.903 57.058 58.200 -0.399 0.000 0.868 119 S CB 1.217 64.334 63.200 -0.139 0.000 1.115 119 S HN 0.558 nan 8.310 nan 0.000 0.461 120 L N 4.022 125.004 121.223 -0.401 0.000 2.345 120 L HA 0.602 4.946 4.340 0.007 0.000 0.274 120 L C -1.541 175.119 176.870 -0.350 0.000 0.999 120 L CA -0.375 54.230 54.840 -0.391 0.000 0.849 120 L CB 1.013 42.997 42.059 -0.124 0.000 1.220 120 L HN 0.723 nan 8.230 nan 0.000 0.422 121 D N 4.869 124.994 120.400 -0.458 0.000 2.362 121 D HA 0.372 5.016 4.640 0.007 0.000 0.247 121 D C -1.014 174.957 176.300 -0.549 0.000 1.050 121 D CA -0.096 53.684 54.000 -0.367 0.000 0.839 121 D CB 2.245 42.891 40.800 -0.257 0.000 1.283 121 D HN 0.198 nan 8.370 nan 0.000 0.477 122 F N 1.510 121.405 119.950 -0.092 0.000 2.404 122 F HA 0.327 4.858 4.527 0.007 0.000 0.354 122 F C -0.051 175.675 175.800 -0.122 0.000 1.122 122 F CA -0.783 57.158 58.000 -0.098 0.000 1.080 122 F CB 1.078 40.020 39.000 -0.097 0.000 1.131 122 F HN -0.047 nan 8.300 nan 0.000 0.471 123 L N 3.675 124.906 121.223 0.014 0.000 2.365 123 L HA 0.504 4.848 4.340 0.007 0.000 0.273 123 L C -0.217 176.644 176.870 -0.015 0.000 1.000 123 L CA -0.804 54.013 54.840 -0.038 0.000 0.819 123 L CB 1.853 43.847 42.059 -0.107 0.000 1.284 123 L HN 0.620 nan 8.230 nan 0.000 0.418 124 R N 2.579 123.071 120.500 -0.013 0.000 2.215 124 R HA 0.274 4.618 4.340 0.007 0.000 0.336 124 R C -0.093 176.194 176.300 -0.022 0.000 0.996 124 R CA -0.270 55.825 56.100 -0.007 0.000 0.847 124 R CB 0.102 30.411 30.300 0.014 0.000 1.127 124 R HN 0.718 nan 8.270 nan 0.000 0.465 125 N N 3.034 121.714 118.700 -0.033 0.000 2.698 125 N HA -0.265 4.479 4.740 0.007 0.000 0.258 125 N C 0.574 176.055 175.510 -0.049 0.000 0.978 125 N CA 0.766 53.791 53.050 -0.042 0.000 0.777 125 N CB -0.535 37.933 38.487 -0.032 0.000 0.907 125 N HN 1.075 nan 8.380 nan 0.000 0.543 126 G N -0.644 108.115 108.800 -0.067 0.000 2.184 126 G HA2 -0.370 3.594 3.960 0.007 0.000 0.264 126 G HA3 -0.370 3.594 3.960 0.007 0.000 0.264 126 G C -0.135 174.722 174.900 -0.072 0.000 0.975 126 G CA 0.551 45.601 45.100 -0.084 0.000 0.642 126 G HN 0.611 nan 8.290 nan 0.000 0.536 127 E N 0.311 120.481 120.200 -0.049 0.000 2.156 127 E HA 0.454 4.808 4.350 0.007 0.000 0.279 127 E C 0.530 177.111 176.600 -0.031 0.000 0.965 127 E CA -0.956 55.423 56.400 -0.034 0.000 0.789 127 E CB 0.538 30.230 29.700 -0.015 0.000 1.098 127 E HN 0.291 nan 8.360 nan 0.000 0.397 128 R N 5.172 125.651 120.500 -0.035 0.000 2.351 128 R HA 0.062 4.406 4.340 0.007 0.000 0.318 128 R C 1.087 177.384 176.300 -0.006 0.000 1.055 128 R CA 0.144 56.226 56.100 -0.030 0.000 0.968 128 R CB 0.116 30.393 30.300 -0.038 0.000 0.974 128 R HN 0.656 nan 8.270 nan 0.000 0.439 129 I N 0.002 120.561 120.570 -0.018 0.000 3.228 129 I HA 0.218 4.392 4.170 0.007 0.000 0.279 129 I C 0.716 176.774 176.117 -0.099 0.000 1.221 129 I CA -0.046 61.235 61.300 -0.033 0.000 1.458 129 I CB 0.467 38.425 38.000 -0.071 0.000 1.105 129 I HN 0.505 nan 8.210 nan 0.000 0.445 130 T N -1.077 113.424 114.554 -0.088 0.000 2.648 130 T HA 0.641 4.995 4.350 0.007 0.000 0.300 130 T C -1.051 173.736 174.700 0.144 0.000 1.751 130 T CA 0.005 62.093 62.100 -0.019 0.000 0.959 130 T CB 1.076 69.813 68.868 -0.218 0.000 1.888 130 T HN 0.635 nan 8.240 nan 0.000 0.480 131 G N 0.419 109.352 108.800 0.221 0.000 2.315 131 G HA2 0.482 4.446 3.960 0.007 0.000 0.294 131 G HA3 0.482 4.446 3.960 0.007 0.000 0.294 131 G C -1.447 173.578 174.900 0.209 0.000 1.300 131 G CA 0.357 45.621 45.100 0.273 0.000 0.843 131 G HN 1.050 nan 8.290 nan 0.000 0.527 132 S N -0.494 115.306 115.700 0.168 0.000 2.530 132 S HA 0.567 5.041 4.470 0.007 0.000 0.322 132 S C -0.001 174.668 174.600 0.116 0.000 1.085 132 S CA -0.358 57.924 58.200 0.137 0.000 1.096 132 S CB 0.991 64.299 63.200 0.180 0.000 0.988 132 S HN 0.563 nan 8.310 nan 0.000 0.466 133 Q N 1.964 121.813 119.800 0.082 0.000 2.368 133 Q HA 0.319 4.663 4.340 0.007 0.000 0.237 133 Q C 0.011 176.091 176.000 0.134 0.000 0.987 133 Q CA -0.469 55.388 55.803 0.091 0.000 0.896 133 Q CB 1.020 29.782 28.738 0.041 0.000 1.241 133 Q HN 0.609 nan 8.270 nan 0.000 0.485 134 V N 2.679 122.713 119.914 0.200 0.000 2.752 134 V HA -0.185 3.939 4.120 0.007 0.000 0.306 134 V C 0.231 176.268 176.094 -0.094 0.000 1.099 134 V CA 1.295 63.681 62.300 0.143 0.000 1.240 134 V CB -0.286 31.651 31.823 0.190 0.000 0.887 134 V HN 0.867 nan 8.190 nan 0.000 0.499 135 K N 3.048 123.267 120.400 -0.301 0.000 3.500 135 K HA -0.174 4.150 4.320 0.007 0.000 0.313 135 K C 0.592 176.944 176.600 -0.414 0.000 1.338 135 K CA 1.227 57.079 56.287 -0.725 0.000 0.963 135 K CB -1.312 30.763 32.500 -0.707 0.000 1.267 135 K HN 0.818 nan 8.250 nan 0.000 0.448 136 N N 1.148 119.739 118.700 -0.182 0.000 2.235 136 N HA 0.015 4.760 4.740 0.007 0.000 0.209 136 N C -0.293 175.034 175.510 -0.304 0.000 1.122 136 N CA 0.337 53.353 53.050 -0.057 0.000 0.845 136 N CB 0.274 38.746 38.487 -0.025 0.000 1.004 136 N HN 0.455 nan 8.380 nan 0.000 0.499 137 N N -0.720 117.666 118.700 -0.522 0.000 2.697 137 N HA 0.720 5.464 4.740 0.007 0.000 0.272 137 N C 0.281 175.230 175.510 -0.935 0.000 1.381 137 N CA -0.464 51.955 53.050 -1.052 0.000 0.797 137 N CB 1.462 39.623 38.487 -0.543 0.000 1.523 137 N HN -0.023 nan 8.380 nan 0.000 0.518 138 G N -1.631 106.621 108.800 -0.913 0.000 2.250 138 G HA2 0.121 4.085 3.960 0.007 0.000 0.252 138 G HA3 0.121 4.085 3.960 0.007 0.000 0.252 138 G C -2.287 172.718 174.900 0.176 0.000 1.325 138 G CA -0.665 44.206 45.100 -0.382 0.000 1.091 138 G HN 0.786 nan 8.290 nan 0.000 0.476 139 Y N 0.101 120.534 120.300 0.223 0.000 2.409 139 Y HA 0.673 5.226 4.550 0.006 0.000 0.343 139 Y C -0.268 175.690 175.900 0.097 0.000 0.973 139 Y CA -0.991 57.200 58.100 0.151 0.000 1.064 139 Y CB 2.303 40.728 38.460 -0.058 0.000 1.207 139 Y HN 0.580 nan 8.280 nan 0.000 0.452 140 V N 6.440 126.181 119.914 -0.288 0.000 2.378 140 V HA 0.295 4.419 4.120 0.007 0.000 0.288 140 V C -0.568 175.245 176.094 -0.468 0.000 1.016 140 V CA -0.859 61.288 62.300 -0.256 0.000 0.840 140 V CB 1.352 33.108 31.823 -0.112 0.000 0.994 140 V HN 0.756 nan 8.190 nan 0.000 0.431 141 Q N 3.419 123.004 119.800 -0.359 0.000 2.421 141 Q HA 0.187 4.531 4.340 0.007 0.000 0.242 141 Q C -0.589 175.343 176.000 -0.113 0.000 1.024 141 Q CA -0.451 55.197 55.803 -0.259 0.000 0.891 141 Q CB 0.710 29.366 28.738 -0.137 0.000 1.222 141 Q HN 0.782 nan 8.270 nan 0.000 0.483 142 D N 3.116 123.484 120.400 -0.054 0.000 2.393 142 D HA 0.005 4.649 4.640 0.007 0.000 0.232 142 D C 0.925 177.218 176.300 -0.012 0.000 1.192 142 D CA -0.022 53.978 54.000 0.001 0.000 0.882 142 D CB 1.231 42.107 40.800 0.126 0.000 1.038 142 D HN 0.673 nan 8.370 nan 0.000 0.499 143 T N 0.894 115.436 114.554 -0.020 0.000 3.085 143 T HA -0.051 4.303 4.350 0.007 0.000 0.263 143 T C 1.258 175.953 174.700 -0.008 0.000 1.127 143 T CA 0.239 62.331 62.100 -0.013 0.000 1.103 143 T CB 0.086 68.947 68.868 -0.012 0.000 0.921 143 T HN 0.206 nan 8.240 nan 0.000 0.510 144 N N 3.252 121.946 118.700 -0.010 0.000 2.106 144 N HA -0.076 4.668 4.740 0.007 0.000 0.188 144 N C 1.495 177.005 175.510 -0.001 0.000 1.029 144 N CA 1.645 54.690 53.050 -0.008 0.000 0.848 144 N CB -0.336 38.141 38.487 -0.015 0.000 1.007 144 N HN 0.730 nan 8.380 nan 0.000 0.423 145 N N 0.297 119.001 118.700 0.007 0.000 2.184 145 N HA -0.006 4.738 4.740 0.007 0.000 0.206 145 N C -0.384 175.127 175.510 0.001 0.000 1.151 145 N CA 0.105 53.161 53.050 0.010 0.000 0.878 145 N CB 0.166 38.668 38.487 0.025 0.000 1.014 145 N HN -0.120 nan 8.380 nan 0.000 0.512 146 Q N -0.393 119.404 119.800 -0.005 0.000 2.481 146 Q HA -0.207 4.137 4.340 0.007 0.000 0.272 146 Q C -0.870 175.102 176.000 -0.047 0.000 1.157 146 Q CA 0.864 56.657 55.803 -0.016 0.000 0.935 146 Q CB -1.930 26.805 28.738 -0.005 0.000 1.338 146 Q HN 0.661 nan 8.270 nan 0.000 0.494 147 R N 0.534 120.990 120.500 -0.073 0.000 2.732 147 R HA 0.557 4.901 4.340 0.007 0.000 0.278 147 R C 0.088 176.180 176.300 -0.346 0.000 0.976 147 R CA -0.837 55.133 56.100 -0.218 0.000 0.963 147 R CB 1.053 31.200 30.300 -0.256 0.000 1.150 147 R HN 0.019 nan 8.270 nan 0.000 0.478 148 N N 1.498 119.883 118.700 -0.525 0.000 2.314 148 N HA 0.370 5.114 4.740 0.007 0.000 0.304 148 N C -1.291 173.744 175.510 -0.792 0.000 1.073 148 N CA -0.381 52.323 53.050 -0.576 0.000 0.822 148 N CB 1.775 40.039 38.487 -0.371 0.000 1.280 148 N HN 0.410 nan 8.380 nan 0.000 0.489 149 Y N 0.080 120.174 120.300 -0.343 0.000 2.576 149 Y HA 0.530 5.084 4.550 0.007 0.000 0.346 149 Y C 0.171 176.018 175.900 -0.088 0.000 1.018 149 Y CA -1.099 56.894 58.100 -0.178 0.000 1.050 149 Y CB 1.694 40.062 38.460 -0.153 0.000 1.280 149 Y HN 0.126 nan 8.280 nan 0.000 0.474 150 M N 2.958 122.667 119.600 0.182 0.000 2.528 150 M HA 0.494 4.978 4.480 0.007 0.000 0.321 150 M C -1.080 175.364 176.300 0.240 0.000 1.153 150 M CA -0.771 54.668 55.300 0.231 0.000 0.951 150 M CB 1.575 34.279 32.600 0.174 0.000 1.705 150 M HN 0.744 nan 8.290 nan 0.000 0.451 151 F N 0.135 120.082 119.950 -0.005 0.000 2.662 151 F HA 0.874 5.405 4.527 0.006 0.000 0.312 151 F C -1.283 174.397 175.800 -0.201 0.000 1.113 151 F CA -0.935 56.990 58.000 -0.125 0.000 0.951 151 F CB 1.650 40.561 39.000 -0.147 0.000 1.344 151 F HN 0.551 nan 8.300 nan 0.000 0.462 152 E N 0.857 120.737 120.200 -0.534 0.000 2.366 152 E HA 0.569 4.923 4.350 0.007 0.000 0.278 152 E C -1.892 174.293 176.600 -0.691 0.000 0.923 152 E CA -0.714 55.237 56.400 -0.749 0.000 0.761 152 E CB 2.033 31.219 29.700 -0.857 0.000 1.231 152 E HN 0.745 nan 8.360 nan 0.000 0.443 153 R N 3.386 123.659 120.500 -0.380 0.000 2.473 153 R HA 0.480 4.824 4.340 0.007 0.000 0.303 153 R C -0.704 175.534 176.300 -0.103 0.000 1.002 153 R CA -0.630 55.344 56.100 -0.211 0.000 0.884 153 R CB 1.098 31.369 30.300 -0.048 0.000 1.173 153 R HN 0.404 nan 8.270 nan 0.000 0.464 154 L N 2.914 124.123 121.223 -0.023 0.000 2.275 154 L HA 0.298 4.642 4.340 0.007 0.000 0.288 154 L C -0.017 176.932 176.870 0.131 0.000 1.046 154 L CA -0.896 54.015 54.840 0.118 0.000 0.805 154 L CB 1.151 43.356 42.059 0.244 0.000 1.193 154 L HN 0.418 nan 8.230 nan 0.000 0.426 155 D N 3.354 123.825 120.400 0.118 0.000 2.449 155 D HA 0.263 4.907 4.640 0.007 0.000 0.236 155 D C -0.266 176.115 176.300 0.135 0.000 1.149 155 D CA 0.456 54.514 54.000 0.096 0.000 0.878 155 D CB 0.976 41.823 40.800 0.078 0.000 1.198 155 D HN 0.222 nan 8.370 nan 0.000 0.446 156 L N 1.320 122.599 121.223 0.094 0.000 2.341 156 L HA 0.480 4.824 4.340 0.007 0.000 0.278 156 L C 1.137 178.050 176.870 0.070 0.000 1.005 156 L CA -0.879 54.020 54.840 0.099 0.000 0.818 156 L CB 1.961 44.049 42.059 0.049 0.000 1.259 156 L HN 0.307 nan 8.230 nan 0.000 0.418 157 G N 1.754 110.605 108.800 0.084 0.000 2.616 157 G HA2 0.384 4.348 3.960 0.007 0.000 0.268 157 G HA3 0.384 4.348 3.960 0.007 0.000 0.268 157 G C -0.103 174.821 174.900 0.040 0.000 1.213 157 G CA -0.548 44.587 45.100 0.059 0.000 0.926 157 G HN 0.306 nan 8.290 nan 0.000 0.523 158 V N 0.920 120.853 119.914 0.032 0.000 2.617 158 V HA 0.343 4.467 4.120 0.007 0.000 0.304 158 V C 1.735 177.848 176.094 0.031 0.000 1.040 158 V CA 1.694 64.010 62.300 0.026 0.000 1.149 158 V CB 0.411 32.247 31.823 0.022 0.000 0.914 158 V HN 1.783 nan 8.190 nan 0.000 0.487 159 G N 3.519 112.339 108.800 0.032 0.000 2.175 159 G HA2 -0.304 3.660 3.960 0.007 0.000 0.265 159 G HA3 -0.304 3.660 3.960 0.007 0.000 0.265 159 G C 0.234 175.147 174.900 0.022 0.000 0.979 159 G CA 0.539 45.663 45.100 0.040 0.000 0.663 159 G HN 0.843 nan 8.290 nan 0.000 0.533 160 E N 1.552 121.762 120.200 0.017 0.000 2.257 160 E HA 0.469 4.823 4.350 0.007 0.000 0.278 160 E C 0.863 177.431 176.600 -0.052 0.000 1.049 160 E CA 0.345 56.748 56.400 0.006 0.000 0.876 160 E CB 0.322 30.048 29.700 0.042 0.000 1.035 160 E HN 0.414 nan 8.360 nan 0.000 0.419 161 T N 0.231 114.728 114.554 -0.094 0.000 2.940 161 T HA 0.580 4.934 4.350 0.007 0.000 0.288 161 T C -0.269 174.242 174.700 -0.315 0.000 1.033 161 T CA -0.927 61.018 62.100 -0.259 0.000 1.033 161 T CB 1.604 70.219 68.868 -0.421 0.000 1.079 161 T HN 0.143 nan 8.240 nan 0.000 0.496 162 V N 2.004 121.599 119.914 -0.531 0.000 2.555 162 V HA 0.587 4.711 4.120 0.007 0.000 0.302 162 V C -1.281 174.370 176.094 -0.737 0.000 1.038 162 V CA -0.847 61.180 62.300 -0.455 0.000 0.887 162 V CB 1.008 32.606 31.823 -0.376 0.000 0.991 162 V HN 0.937 nan 8.190 nan 0.000 0.434 163 Y N 1.501 121.679 120.300 -0.203 0.000 2.576 163 Y HA 0.859 5.413 4.550 0.007 0.000 0.346 163 Y C 0.838 176.601 175.900 -0.230 0.000 1.018 163 Y CA 0.352 58.328 58.100 -0.207 0.000 1.050 163 Y CB 2.290 40.634 38.460 -0.192 0.000 1.280 163 Y HN 0.969 nan 8.280 nan 0.000 0.474 164 G N 0.173 108.939 108.800 -0.057 0.000 2.601 164 G HA2 -0.207 3.757 3.960 0.007 0.000 0.224 164 G HA3 -0.207 3.757 3.960 0.007 0.000 0.224 164 G C -0.122 174.670 174.900 -0.179 0.000 1.171 164 G CA -0.278 44.753 45.100 -0.116 0.000 1.009 164 G HN 1.127 nan 8.290 nan 0.000 0.589 165 L N 0.126 121.230 121.223 -0.199 0.000 4.232 165 L HA 0.021 4.366 4.340 0.007 0.000 0.415 165 L C 1.424 178.205 176.870 -0.148 0.000 1.168 165 L CA 1.540 56.239 54.840 -0.235 0.000 0.966 165 L CB -1.738 40.100 42.059 -0.369 0.000 2.052 165 L HN 2.876 nan 8.230 nan 0.000 0.887 166 G N -0.162 108.565 108.800 -0.121 0.000 2.466 166 G HA2 -0.173 3.791 3.960 0.007 0.000 0.316 166 G HA3 -0.173 3.791 3.960 0.007 0.000 0.316 166 G C -0.480 174.257 174.900 -0.271 0.000 1.270 166 G CA 0.022 45.029 45.100 -0.154 0.000 0.982 166 G HN 0.323 nan 8.290 nan 0.000 0.506 167 E N 1.011 121.001 120.200 -0.351 0.000 1.932 167 E HA 0.376 4.730 4.350 0.007 0.000 0.275 167 E C 0.446 176.639 176.600 -0.678 0.000 1.159 167 E CA -0.139 55.968 56.400 -0.488 0.000 0.905 167 E CB -0.023 29.438 29.700 -0.399 0.000 1.059 167 E HN 0.450 nan 8.360 nan 0.000 0.400 168 R N 3.309 123.405 120.500 -0.674 0.000 2.803 168 R HA 0.330 4.674 4.340 0.007 0.000 0.276 168 R C -0.227 175.679 176.300 -0.656 0.000 0.978 168 R CA -0.670 55.051 56.100 -0.632 0.000 0.939 168 R CB 0.871 31.002 30.300 -0.283 0.000 1.179 168 R HN 0.468 nan 8.270 nan 0.000 0.472 169 F N -0.423 119.524 119.950 -0.005 0.000 2.682 169 F HA 0.069 4.600 4.527 0.007 0.000 0.308 169 F C 1.384 177.188 175.800 0.007 0.000 1.093 169 F CA -0.393 57.619 58.000 0.020 0.000 1.244 169 F CB 0.307 39.344 39.000 0.063 0.000 1.052 169 F HN 0.469 nan 8.300 nan 0.000 0.573 170 T N -0.759 113.853 114.554 0.098 0.000 2.753 170 T HA 0.570 4.924 4.350 0.007 0.000 0.309 170 T C 0.797 175.505 174.700 0.013 0.000 1.043 170 T CA -0.525 61.605 62.100 0.050 0.000 0.964 170 T CB 0.482 69.357 68.868 0.012 0.000 1.206 170 T HN 0.172 nan 8.240 nan 0.000 0.528 171 A N 0.232 123.050 122.820 -0.002 0.000 2.561 171 A HA 0.238 4.562 4.320 0.007 0.000 0.234 171 A C 1.396 178.957 177.584 -0.039 0.000 1.055 171 A CA -0.364 51.667 52.037 -0.010 0.000 0.756 171 A CB -0.602 18.394 19.000 -0.006 0.000 0.986 171 A HN 0.963 nan 8.150 nan 0.000 0.505 172 L N 3.764 124.973 121.223 -0.024 0.000 2.012 172 L HA -0.070 4.274 4.340 0.007 0.000 0.210 172 L C 1.031 177.818 176.870 -0.138 0.000 1.073 172 L CA 1.783 56.599 54.840 -0.040 0.000 0.748 172 L CB -0.302 41.776 42.059 0.032 0.000 0.891 172 L HN 0.477 nan 8.230 nan 0.000 0.431 173 V N 1.629 121.432 119.914 -0.186 0.000 2.488 173 V HA 0.095 4.219 4.120 0.007 0.000 0.277 173 V C 1.336 177.256 176.094 -0.290 0.000 1.046 173 V CA -0.325 61.720 62.300 -0.426 0.000 0.986 173 V CB 1.032 32.586 31.823 -0.448 0.000 0.989 173 V HN 0.338 nan 8.190 nan 0.000 0.475 174 R N 2.500 122.782 120.500 -0.362 0.000 2.200 174 R HA 0.047 4.391 4.340 0.007 0.000 0.208 174 R C 0.393 176.575 176.300 -0.196 0.000 1.033 174 R CA 0.037 55.985 56.100 -0.254 0.000 1.000 174 R CB -0.443 29.683 30.300 -0.290 0.000 0.906 174 R HN 0.671 nan 8.270 nan 0.000 0.462 175 N N 0.800 119.379 118.700 -0.202 0.000 2.217 175 N HA 0.016 4.760 4.740 0.007 0.000 0.268 175 N C 1.136 176.595 175.510 -0.085 0.000 1.290 175 N CA 1.572 54.543 53.050 -0.133 0.000 0.831 175 N CB 0.105 38.530 38.487 -0.103 0.000 1.057 175 N HN 0.390 nan 8.380 nan 0.000 0.481 176 G N 0.737 109.493 108.800 -0.073 0.000 2.213 176 G HA2 -0.248 3.717 3.960 0.007 0.000 0.236 176 G HA3 -0.248 3.717 3.960 0.007 0.000 0.236 176 G C -0.329 174.540 174.900 -0.051 0.000 0.991 176 G CA 0.014 45.081 45.100 -0.054 0.000 0.629 176 G HN 0.658 nan 8.290 nan 0.000 0.517 177 Q N 0.484 120.247 119.800 -0.062 0.000 2.257 177 Q HA 0.690 5.035 4.340 0.007 0.000 0.262 177 Q C -0.827 175.154 176.000 -0.031 0.000 0.997 177 Q CA -0.677 55.098 55.803 -0.047 0.000 0.873 177 Q CB 1.693 30.400 28.738 -0.052 0.000 1.312 177 Q HN 0.088 nan 8.270 nan 0.000 0.450 178 T N 1.343 115.890 114.554 -0.012 0.000 2.806 178 T HA 0.417 4.771 4.350 0.007 0.000 0.290 178 T C -0.611 174.110 174.700 0.036 0.000 0.966 178 T CA -0.446 61.664 62.100 0.015 0.000 1.060 178 T CB 0.775 69.645 68.868 0.003 0.000 0.927 178 T HN 0.335 nan 8.240 nan 0.000 0.485 179 V N 4.452 124.422 119.914 0.093 0.000 2.482 179 V HA 0.330 4.454 4.120 0.007 0.000 0.295 179 V C -0.443 175.787 176.094 0.227 0.000 1.026 179 V CA -0.965 61.401 62.300 0.110 0.000 0.856 179 V CB 1.876 33.707 31.823 0.015 0.000 1.001 179 V HN 0.808 nan 8.190 nan 0.000 0.424 180 E N 2.623 122.934 120.200 0.186 0.000 2.134 180 E HA 0.298 4.652 4.350 0.007 0.000 0.278 180 E C 0.100 176.883 176.600 0.305 0.000 0.959 180 E CA -0.495 56.042 56.400 0.228 0.000 0.783 180 E CB 1.651 31.434 29.700 0.137 0.000 1.095 180 E HN 0.728 nan 8.360 nan 0.000 0.399 181 T N 0.996 115.783 114.554 0.389 0.000 3.185 181 T HA 0.224 4.578 4.350 0.007 0.000 0.287 181 T C -0.327 174.684 174.700 0.520 0.000 1.051 181 T CA -0.738 61.603 62.100 0.402 0.000 1.051 181 T CB -0.282 68.846 68.868 0.432 0.000 1.034 181 T HN 0.472 nan 8.240 nan 0.000 0.685 182 W N 4.063 125.481 121.300 0.197 0.000 2.802 182 W HA 0.290 4.955 4.660 0.007 0.000 0.331 182 W C -1.305 175.386 176.519 0.286 0.000 1.021 182 W CA -0.986 56.490 57.345 0.218 0.000 1.259 182 W CB 1.341 30.858 29.460 0.095 0.000 1.323 182 W HN 0.371 nan 8.180 nan 0.000 0.432 183 N N 4.721 123.492 118.700 0.117 0.000 2.458 183 N HA 0.171 4.915 4.740 0.007 0.000 0.258 183 N C -0.407 175.191 175.510 0.147 0.000 1.219 183 N CA 0.605 53.714 53.050 0.099 0.000 0.902 183 N CB 0.757 39.234 38.487 -0.017 0.000 1.076 183 N HN 0.399 nan 8.380 nan 0.000 0.455 184 R N 0.055 120.642 120.500 0.144 0.000 2.739 184 R HA 0.236 4.580 4.340 0.007 0.000 0.271 184 R C -1.284 175.055 176.300 0.065 0.000 1.010 184 R CA -0.775 55.424 56.100 0.165 0.000 0.897 184 R CB 1.437 31.848 30.300 0.185 0.000 1.236 184 R HN 0.352 nan 8.270 nan 0.000 0.466 185 D N 0.929 121.410 120.400 0.135 0.000 2.500 185 D HA 0.228 4.872 4.640 0.007 0.000 0.219 185 D C 0.118 176.430 176.300 0.020 0.000 1.137 185 D CA -0.022 54.036 54.000 0.097 0.000 0.946 185 D CB 0.854 41.819 40.800 0.275 0.000 1.022 185 D HN 0.733 nan 8.370 nan 0.000 0.518 186 G N 1.555 110.236 108.800 -0.198 0.000 3.453 186 G HA2 0.476 4.440 3.960 0.007 0.000 0.263 186 G HA3 0.476 4.440 3.960 0.007 0.000 0.263 186 G C 0.869 175.716 174.900 -0.089 0.000 1.060 186 G CA 0.169 45.220 45.100 -0.082 0.000 0.793 186 G HN 0.795 nan 8.290 nan 0.000 0.532 187 G N 0.305 109.029 108.800 -0.127 0.000 2.645 187 G HA2 -0.108 3.856 3.960 0.007 0.000 0.246 187 G HA3 -0.108 3.856 3.960 0.007 0.000 0.246 187 G C 0.918 175.687 174.900 -0.218 0.000 1.322 187 G CA 0.940 46.048 45.100 0.014 0.000 0.898 187 G HN 1.167 nan 8.290 nan 0.000 0.573 188 T N -3.969 110.426 114.554 -0.264 0.000 3.044 188 T HA 0.504 4.858 4.350 0.007 0.000 0.260 188 T C 1.601 176.017 174.700 -0.472 0.000 1.019 188 T CA 1.201 62.736 62.100 -0.942 0.000 0.921 188 T CB 0.456 68.847 68.868 -0.795 0.000 1.053 188 T HN 0.860 nan 8.240 nan 0.000 0.533 189 S N 1.806 117.431 115.700 -0.125 0.000 2.557 189 S HA 0.247 4.721 4.470 0.007 0.000 0.223 189 S C 0.974 175.591 174.600 0.029 0.000 0.969 189 S CA -0.001 58.190 58.200 -0.015 0.000 0.927 189 S CB 0.263 63.453 63.200 -0.017 0.000 0.806 189 S HN 0.888 nan 8.310 nan 0.000 0.489 190 T N -0.474 114.114 114.554 0.055 0.000 2.724 190 T HA 0.356 4.710 4.350 0.007 0.000 0.274 190 T C 0.784 175.560 174.700 0.127 0.000 0.984 190 T CA -0.624 61.524 62.100 0.079 0.000 1.024 190 T CB 1.103 70.008 68.868 0.062 0.000 1.320 190 T HN -0.009 nan 8.240 nan 0.000 0.555 191 E N 0.067 120.324 120.200 0.096 0.000 2.478 191 E HA -0.027 4.327 4.350 0.007 0.000 0.198 191 E C 0.273 176.936 176.600 0.105 0.000 1.046 191 E CA 0.372 56.827 56.400 0.091 0.000 0.870 191 E CB -0.131 29.606 29.700 0.062 0.000 0.818 191 E HN 0.702 nan 8.360 nan 0.000 0.527 192 Q N 0.281 120.148 119.800 0.112 0.000 2.312 192 Q HA 0.553 4.897 4.340 0.007 0.000 0.236 192 Q C -0.668 175.392 176.000 0.101 0.000 0.965 192 Q CA -0.110 55.752 55.803 0.097 0.000 0.894 192 Q CB 1.504 30.283 28.738 0.068 0.000 1.225 192 Q HN 0.267 nan 8.270 nan 0.000 0.478 193 A N 0.780 123.633 122.820 0.054 0.000 2.486 193 A HA 0.416 4.740 4.320 0.007 0.000 0.300 193 A C -1.080 176.504 177.584 -0.001 0.000 1.048 193 A CA -0.653 51.403 52.037 0.031 0.000 0.696 193 A CB 0.497 19.496 19.000 -0.002 0.000 1.278 193 A HN 0.798 nan 8.150 nan 0.000 0.405 194 Y N 0.810 121.175 120.300 0.108 0.000 2.373 194 Y HA 0.065 4.620 4.550 0.007 0.000 0.293 194 Y C 0.786 176.678 175.900 -0.014 0.000 1.129 194 Y CA 1.306 59.420 58.100 0.024 0.000 1.226 194 Y CB 0.175 38.599 38.460 -0.060 0.000 1.000 194 Y HN 0.501 nan 8.280 nan 0.000 0.549 195 K N 1.457 121.925 120.400 0.113 0.000 2.579 195 K HA 0.231 4.555 4.320 0.007 0.000 0.225 195 K C -1.095 175.481 176.600 -0.039 0.000 0.992 195 K CA -0.274 55.999 56.287 -0.023 0.000 1.018 195 K CB 0.637 33.012 32.500 -0.209 0.000 1.249 195 K HN 0.077 nan 8.250 nan 0.000 0.489 196 N N 3.599 122.332 118.700 0.054 0.000 2.430 196 N HA 0.444 5.188 4.740 0.007 0.000 0.292 196 N C -0.734 174.856 175.510 0.132 0.000 1.051 196 N CA -0.425 52.680 53.050 0.092 0.000 0.917 196 N CB 1.749 40.343 38.487 0.178 0.000 1.164 196 N HN 0.285 nan 8.380 nan 0.000 0.484 197 I N 2.825 123.462 120.570 0.112 0.000 2.534 197 I HA 0.218 4.392 4.170 0.007 0.000 0.286 197 I C -2.301 173.902 176.117 0.144 0.000 1.094 197 I CA -1.870 59.519 61.300 0.149 0.000 1.055 197 I CB 2.198 40.290 38.000 0.153 0.000 1.225 197 I HN 0.205 nan 8.210 nan 0.000 0.435 198 P HA 0.138 nan 4.420 nan 0.000 0.228 198 P C -0.596 176.881 177.300 0.296 0.000 1.748 198 P CA 0.151 63.470 63.100 0.364 0.000 0.909 198 P CB -0.583 31.491 31.700 0.624 0.000 1.882 199 F N 2.847 122.762 119.950 -0.059 0.000 2.507 199 F HA 0.543 5.074 4.527 0.007 0.000 0.325 199 F C -1.132 174.551 175.800 -0.195 0.000 1.116 199 F CA -1.432 56.465 58.000 -0.171 0.000 0.930 199 F CB 1.427 40.188 39.000 -0.398 0.000 1.146 199 F HN -0.019 nan 8.300 nan 0.000 0.447 200 Y N 5.118 124.786 120.300 -1.053 0.000 2.605 200 Y HA 0.843 5.397 4.550 0.007 0.000 0.343 200 Y C -1.231 173.965 175.900 -1.173 0.000 1.036 200 Y CA -1.754 55.781 58.100 -0.942 0.000 1.065 200 Y CB 1.608 39.736 38.460 -0.554 0.000 1.288 200 Y HN 0.775 nan 8.280 nan 0.000 0.481 201 M N 1.137 120.380 119.600 -0.594 0.000 2.618 201 M HA 0.850 5.334 4.480 0.007 0.000 0.281 201 M C -1.177 175.016 176.300 -0.177 0.000 1.267 201 M CA -0.697 54.299 55.300 -0.507 0.000 0.845 201 M CB 2.515 34.848 32.600 -0.444 0.000 1.732 201 M HN 0.877 nan 8.290 nan 0.000 0.461 202 T N -2.561 111.808 114.554 -0.309 0.000 2.888 202 T HA 0.439 4.793 4.350 0.007 0.000 0.288 202 T C 0.336 174.974 174.700 -0.103 0.000 1.063 202 T CA -0.508 61.501 62.100 -0.152 0.000 1.010 202 T CB 1.135 69.823 68.868 -0.299 0.000 1.214 202 T HN 0.851 nan 8.240 nan 0.000 0.533 203 N N -0.044 118.666 118.700 0.018 0.000 2.521 203 N HA -0.020 4.724 4.740 0.007 0.000 0.188 203 N C 0.898 176.395 175.510 -0.022 0.000 1.146 203 N CA -0.051 52.993 53.050 -0.009 0.000 0.893 203 N CB -0.298 38.216 38.487 0.045 0.000 0.975 203 N HN 0.372 nan 8.380 nan 0.000 0.451 204 R N 0.036 120.511 120.500 -0.042 0.000 2.334 204 R HA 0.224 4.568 4.340 0.007 0.000 0.220 204 R C 0.774 177.108 176.300 0.057 0.000 0.917 204 R CA 0.240 56.365 56.100 0.043 0.000 1.073 204 R CB -0.872 29.527 30.300 0.165 0.000 1.056 204 R HN 0.416 nan 8.270 nan 0.000 0.506 205 G N 1.385 110.157 108.800 -0.047 0.000 2.182 205 G HA2 -0.307 3.657 3.960 0.007 0.000 0.248 205 G HA3 -0.307 3.657 3.960 0.007 0.000 0.248 205 G C -0.317 174.628 174.900 0.075 0.000 1.042 205 G CA 0.788 45.884 45.100 -0.006 0.000 0.775 205 G HN 0.490 nan 8.290 nan 0.000 0.501 206 Y N -2.211 118.079 120.300 -0.016 0.000 2.638 206 Y HA 0.847 5.401 4.550 0.007 0.000 0.339 206 Y C 0.373 176.218 175.900 -0.092 0.000 1.084 206 Y CA -1.356 56.723 58.100 -0.034 0.000 1.068 206 Y CB 1.019 39.459 38.460 -0.034 0.000 1.294 206 Y HN 0.633 nan 8.280 nan 0.000 0.480 207 G N -0.012 108.807 108.800 0.033 0.000 2.605 207 G HA2 0.588 4.552 3.960 0.007 0.000 0.296 207 G HA3 0.588 4.552 3.960 0.007 0.000 0.296 207 G C -1.991 172.830 174.900 -0.131 0.000 1.304 207 G CA -0.864 44.099 45.100 -0.228 0.000 0.941 207 G HN 1.362 nan 8.290 nan 0.000 0.475 208 V N 0.792 120.372 119.914 -0.557 0.000 2.686 208 V HA 0.779 4.903 4.120 0.007 0.000 0.306 208 V C -1.513 174.563 176.094 -0.030 0.000 1.065 208 V CA -0.970 61.178 62.300 -0.253 0.000 0.894 208 V CB 1.498 33.143 31.823 -0.296 0.000 1.004 208 V HN 0.882 nan 8.190 nan 0.000 0.424 209 L N 7.407 128.857 121.223 0.379 0.000 2.272 209 L HA 0.711 5.055 4.340 0.007 0.000 0.289 209 L C -0.554 176.578 176.870 0.438 0.000 1.032 209 L CA 0.025 55.167 54.840 0.502 0.000 0.810 209 L CB 1.713 44.152 42.059 0.634 0.000 1.205 209 L HN 0.596 nan 8.230 nan 0.000 0.422 210 V N 4.983 125.099 119.914 0.337 0.000 2.385 210 V HA 0.235 4.359 4.120 0.007 0.000 0.269 210 V C 0.498 176.877 176.094 0.475 0.000 1.043 210 V CA -0.488 61.988 62.300 0.293 0.000 0.906 210 V CB 0.758 32.601 31.823 0.033 0.000 0.995 210 V HN 0.811 nan 8.190 nan 0.000 0.467 211 N N 4.313 123.262 118.700 0.415 0.000 3.303 211 N HA 0.065 4.809 4.740 0.007 0.000 0.304 211 N C -0.378 175.054 175.510 -0.130 0.000 1.302 211 N CA 0.047 53.312 53.050 0.358 0.000 1.213 211 N CB -0.391 38.353 38.487 0.429 0.000 1.481 211 N HN 0.709 nan 8.380 nan 0.000 0.546 212 H N 0.256 119.464 119.070 0.230 0.000 3.013 212 H HA 0.228 4.788 4.556 0.007 0.000 0.326 212 H C -1.980 173.278 175.328 -0.117 0.000 0.973 212 H CA -1.361 54.694 56.048 0.013 0.000 1.369 212 H CB 2.162 31.963 29.762 0.065 0.000 1.598 212 H HN 0.233 nan 8.280 nan 0.000 0.518 213 P HA -0.132 nan 4.420 nan 0.000 0.223 213 P C 1.021 178.411 177.300 0.149 0.000 1.151 213 P CA 0.796 63.724 63.100 -0.288 0.000 0.787 213 P CB 0.501 31.931 31.700 -0.451 0.000 0.788 214 Q N -0.170 119.746 119.800 0.194 0.000 2.544 214 Q HA -0.002 4.342 4.340 0.007 0.000 0.194 214 Q C 0.129 176.371 176.000 0.403 0.000 1.104 214 Q CA -0.291 55.710 55.803 0.329 0.000 1.131 214 Q CB -0.664 28.211 28.738 0.228 0.000 1.210 214 Q HN -0.020 nan 8.270 nan 0.000 0.639 215 C N 1.311 120.855 119.300 0.407 0.000 2.638 215 C HA 0.299 4.763 4.460 0.007 0.000 0.410 215 C C -0.009 175.090 174.990 0.181 0.000 1.404 215 C CA -0.332 58.870 59.018 0.306 0.000 1.651 215 C CB -1.256 26.439 27.740 -0.075 0.000 2.495 215 C HN 0.437 nan 8.230 nan 0.000 0.606 216 V N 7.033 127.086 119.914 0.232 0.000 2.398 216 V HA 0.411 4.535 4.120 0.007 0.000 0.286 216 V C 0.307 176.439 176.094 0.064 0.000 1.026 216 V CA -0.095 62.261 62.300 0.092 0.000 0.868 216 V CB 1.782 33.658 31.823 0.089 0.000 0.982 216 V HN 0.910 nan 8.190 nan 0.000 0.443 217 S N 5.260 120.920 115.700 -0.067 0.000 2.420 217 S HA 0.633 5.107 4.470 0.007 0.000 0.313 217 S C -0.857 173.697 174.600 -0.077 0.000 1.079 217 S CA -0.443 57.749 58.200 -0.014 0.000 1.104 217 S CB -0.190 62.970 63.200 -0.067 0.000 0.969 217 S HN 0.379 nan 8.310 nan 0.000 0.471 218 F N 3.141 123.132 119.950 0.068 0.000 2.408 218 F HA 0.420 4.951 4.527 0.007 0.000 0.344 218 F C 0.886 176.681 175.800 -0.007 0.000 1.112 218 F CA -0.668 57.370 58.000 0.063 0.000 1.096 218 F CB 1.183 40.201 39.000 0.031 0.000 1.129 218 F HN 0.409 nan 8.300 nan 0.000 0.486 219 E N 3.563 123.834 120.200 0.119 0.000 2.101 219 E HA 0.247 4.601 4.350 0.007 0.000 0.260 219 E C -0.943 175.667 176.600 0.016 0.000 0.897 219 E CA -0.379 56.041 56.400 0.033 0.000 0.744 219 E CB 1.800 31.482 29.700 -0.031 0.000 1.140 219 E HN 0.251 nan 8.360 nan 0.000 0.419 220 V N 1.802 121.707 119.914 -0.014 0.000 2.322 220 V HA 0.244 4.369 4.120 0.007 0.000 0.258 220 V C 1.341 177.380 176.094 -0.091 0.000 1.074 220 V CA 0.085 62.331 62.300 -0.089 0.000 0.909 220 V CB 0.366 32.086 31.823 -0.170 0.000 1.090 220 V HN 0.928 nan 8.190 nan 0.000 0.486 221 G N 4.639 113.393 108.800 -0.076 0.000 2.258 221 G HA2 -0.296 3.668 3.960 0.007 0.000 0.274 221 G HA3 -0.296 3.668 3.960 0.007 0.000 0.274 221 G C 0.739 175.604 174.900 -0.057 0.000 1.021 221 G CA 0.817 45.878 45.100 -0.065 0.000 0.798 221 G HN 1.100 nan 8.290 nan 0.000 0.507 222 S N -2.376 113.292 115.700 -0.055 0.000 2.632 222 S HA 0.385 4.859 4.470 0.007 0.000 0.237 222 S C 1.221 175.787 174.600 -0.056 0.000 1.037 222 S CA 0.779 58.949 58.200 -0.051 0.000 1.009 222 S CB 0.705 63.879 63.200 -0.044 0.000 0.974 222 S HN 0.582 nan 8.310 nan 0.000 0.544 223 E N 1.054 121.216 120.200 -0.064 0.000 2.419 223 E HA 0.223 4.577 4.350 0.007 0.000 0.197 223 E C -0.566 175.985 176.600 -0.082 0.000 0.920 223 E CA 0.068 56.420 56.400 -0.080 0.000 1.085 223 E CB 0.516 30.157 29.700 -0.099 0.000 1.084 223 E HN 0.035 nan 8.360 nan 0.000 0.490 224 K N 2.007 122.361 120.400 -0.076 0.000 2.265 224 K HA 0.161 4.485 4.320 0.007 0.000 0.267 224 K C 0.896 177.460 176.600 -0.060 0.000 0.994 224 K CA -0.093 56.150 56.287 -0.074 0.000 0.860 224 K CB 1.885 34.344 32.500 -0.069 0.000 1.099 224 K HN 0.167 nan 8.250 nan 0.000 0.448 225 V N 0.058 119.937 119.914 -0.058 0.000 2.667 225 V HA -0.117 4.008 4.120 0.007 0.000 0.252 225 V C 1.156 177.226 176.094 -0.039 0.000 1.065 225 V CA 1.655 63.927 62.300 -0.048 0.000 1.083 225 V CB -0.492 31.305 31.823 -0.043 0.000 0.692 225 V HN 0.629 nan 8.190 nan 0.000 0.468 226 S N -1.119 114.560 115.700 -0.034 0.000 2.573 226 S HA 0.488 4.962 4.470 0.007 0.000 0.244 226 S C 0.043 174.639 174.600 -0.007 0.000 0.984 226 S CA -0.579 57.610 58.200 -0.018 0.000 1.001 226 S CB -0.288 62.903 63.200 -0.014 0.000 0.788 226 S HN 0.681 nan 8.310 nan 0.000 0.456 227 K N 0.349 120.739 120.400 -0.018 0.000 2.508 227 K HA 0.609 4.933 4.320 0.007 0.000 0.260 227 K C -1.584 175.004 176.600 -0.020 0.000 0.949 227 K CA -0.671 55.614 56.287 -0.004 0.000 0.834 227 K CB 2.525 35.017 32.500 -0.014 0.000 1.365 227 K HN 0.037 nan 8.250 nan 0.000 0.437 228 V N 2.426 122.342 119.914 0.003 0.000 2.350 228 V HA 0.295 4.419 4.120 0.007 0.000 0.276 228 V C -0.413 175.703 176.094 0.036 0.000 1.028 228 V CA -0.607 61.689 62.300 -0.006 0.000 0.860 228 V CB 1.077 32.824 31.823 -0.127 0.000 0.990 228 V HN 0.644 nan 8.190 nan 0.000 0.453 229 Q N 5.149 124.952 119.800 0.007 0.000 2.271 229 Q HA 0.658 5.002 4.340 0.007 0.000 0.258 229 Q C -1.509 174.478 176.000 -0.022 0.000 0.936 229 Q CA -0.576 55.167 55.803 -0.101 0.000 0.909 229 Q CB 1.449 30.146 28.738 -0.068 0.000 1.253 229 Q HN 0.730 nan 8.270 nan 0.000 0.440 230 F N 0.661 120.541 119.950 -0.116 0.000 2.565 230 F HA 0.769 5.300 4.527 0.007 0.000 0.313 230 F C -0.798 174.892 175.800 -0.184 0.000 1.091 230 F CA -0.917 56.873 58.000 -0.349 0.000 0.915 230 F CB 1.666 40.260 39.000 -0.676 0.000 1.208 230 F HN 0.435 nan 8.300 nan 0.000 0.453 231 S N 1.686 117.363 115.700 -0.038 0.000 2.595 231 S HA 0.897 5.371 4.470 0.007 0.000 0.281 231 S C -1.660 172.929 174.600 -0.018 0.000 1.117 231 S CA -0.869 57.336 58.200 0.008 0.000 0.873 231 S CB 1.858 65.032 63.200 -0.043 0.000 1.108 231 S HN 1.366 nan 8.310 nan 0.000 0.477 232 V N 0.326 120.251 119.914 0.018 0.000 3.048 232 V HA 0.521 4.645 4.120 0.007 0.000 0.303 232 V C -1.270 174.844 176.094 0.034 0.000 1.214 232 V CA -0.652 61.623 62.300 -0.042 0.000 0.984 232 V CB 1.977 33.602 31.823 -0.329 0.000 1.054 232 V HN 1.124 nan 8.190 nan 0.000 0.430 233 E N 3.562 123.768 120.200 0.011 0.000 2.003 233 E HA 0.558 4.912 4.350 0.007 0.000 0.279 233 E C -0.618 175.878 176.600 -0.173 0.000 1.132 233 E CA 0.254 56.527 56.400 -0.212 0.000 0.888 233 E CB 0.525 30.073 29.700 -0.253 0.000 1.056 233 E HN 0.737 nan 8.360 nan 0.000 0.399 234 S N 3.007 118.616 115.700 -0.153 0.000 2.578 234 S HA 0.106 4.580 4.470 0.007 0.000 0.272 234 S C -0.204 174.432 174.600 0.059 0.000 1.145 234 S CA -0.683 57.469 58.200 -0.081 0.000 0.835 234 S CB 1.306 64.333 63.200 -0.289 0.000 1.104 234 S HN 0.522 nan 8.310 nan 0.000 0.458 235 E N 0.798 121.112 120.200 0.190 0.000 2.489 235 E HA 0.173 4.527 4.350 0.007 0.000 0.193 235 E C -0.454 176.365 176.600 0.365 0.000 1.057 235 E CA 0.502 57.089 56.400 0.311 0.000 0.866 235 E CB 0.104 29.989 29.700 0.308 0.000 0.916 235 E HN 0.588 nan 8.360 nan 0.000 0.500 236 Y N -1.876 118.547 120.300 0.206 0.000 2.571 236 Y HA 0.600 5.154 4.550 0.007 0.000 0.341 236 Y C -1.370 174.688 175.900 0.263 0.000 1.076 236 Y CA -1.749 56.480 58.100 0.214 0.000 1.029 236 Y CB 0.949 39.511 38.460 0.171 0.000 1.308 236 Y HN -0.208 nan 8.280 nan 0.000 0.461 237 L N 2.786 124.150 121.223 0.234 0.000 2.356 237 L HA 0.616 4.960 4.340 0.007 0.000 0.277 237 L C -1.136 176.028 176.870 0.489 0.000 0.996 237 L CA -0.524 54.495 54.840 0.297 0.000 0.822 237 L CB 1.868 44.086 42.059 0.264 0.000 1.256 237 L HN 0.900 nan 8.230 nan 0.000 0.413 238 E N 4.044 124.603 120.200 0.600 0.000 2.224 238 E HA 0.522 4.876 4.350 0.007 0.000 0.265 238 E C -1.920 174.812 176.600 0.220 0.000 0.878 238 E CA -0.636 55.922 56.400 0.263 0.000 0.759 238 E CB 1.365 31.191 29.700 0.209 0.000 1.164 238 E HN 0.591 nan 8.360 nan 0.000 0.414 239 Y N 1.425 121.683 120.300 -0.070 0.000 2.609 239 Y HA 0.700 5.254 4.550 0.006 0.000 0.342 239 Y C -1.692 173.992 175.900 -0.360 0.000 1.058 239 Y CA -1.506 56.546 58.100 -0.080 0.000 1.055 239 Y CB 1.059 39.580 38.460 0.101 0.000 1.292 239 Y HN 0.258 nan 8.280 nan 0.000 0.476 240 F N 1.336 121.418 119.950 0.220 0.000 2.477 240 F HA 0.575 5.106 4.527 0.007 0.000 0.335 240 F C -0.648 175.191 175.800 0.065 0.000 1.130 240 F CA -1.216 56.809 58.000 0.042 0.000 0.948 240 F CB 2.036 41.086 39.000 0.084 0.000 1.154 240 F HN 0.341 nan 8.300 nan 0.000 0.439 241 V N 5.344 125.306 119.914 0.079 0.000 2.488 241 V HA 0.271 4.396 4.120 0.007 0.000 0.277 241 V C 0.186 176.308 176.094 0.048 0.000 1.046 241 V CA -0.331 61.943 62.300 -0.043 0.000 0.986 241 V CB 0.956 32.519 31.823 -0.433 0.000 0.989 241 V HN 0.528 nan 8.190 nan 0.000 0.475 242 I N 3.990 124.623 120.570 0.105 0.000 2.355 242 I HA 0.327 4.501 4.170 0.007 0.000 0.288 242 I C -0.090 176.095 176.117 0.113 0.000 0.999 242 I CA -0.484 60.880 61.300 0.106 0.000 1.163 242 I CB 1.651 39.763 38.000 0.187 0.000 1.316 242 I HN 0.529 nan 8.210 nan 0.000 0.454 243 D N 4.307 124.747 120.400 0.067 0.000 2.362 243 D HA 0.300 4.945 4.640 0.007 0.000 0.242 243 D C 0.626 176.964 176.300 0.062 0.000 1.132 243 D CA 0.261 54.304 54.000 0.072 0.000 0.907 243 D CB 1.678 42.499 40.800 0.037 0.000 1.195 243 D HN 0.606 nan 8.370 nan 0.000 0.429 244 G N 1.327 110.167 108.800 0.066 0.000 2.606 244 G HA2 0.118 4.082 3.960 0.007 0.000 0.213 244 G HA3 0.118 4.082 3.960 0.007 0.000 0.213 244 G C -1.534 173.376 174.900 0.016 0.000 2.020 244 G CA -0.148 44.973 45.100 0.035 0.000 0.814 244 G HN 0.600 nan 8.290 nan 0.000 0.685 245 P HA 0.225 nan 4.420 nan 0.000 0.257 245 P C -0.135 177.174 177.300 0.015 0.000 1.325 245 P CA 0.579 63.697 63.100 0.030 0.000 0.850 245 P CB 0.615 32.330 31.700 0.025 0.000 1.324 246 T N 1.100 115.651 114.554 -0.004 0.000 2.856 246 T HA 0.366 4.720 4.350 0.007 0.000 0.283 246 T C -1.910 172.765 174.700 -0.041 0.000 1.008 246 T CA -1.936 60.147 62.100 -0.027 0.000 0.997 246 T CB 1.955 70.802 68.868 -0.035 0.000 0.992 246 T HN -0.254 nan 8.240 nan 0.000 0.454 247 P HA -0.111 nan 4.420 nan 0.000 0.216 247 P C 1.278 178.538 177.300 -0.066 0.000 1.157 247 P CA 1.378 64.426 63.100 -0.087 0.000 0.880 247 P CB 0.228 31.842 31.700 -0.143 0.000 0.791 248 K N -0.770 119.585 120.400 -0.076 0.000 2.063 248 K HA -0.111 4.213 4.320 0.007 0.000 0.208 248 K C 2.131 178.700 176.600 -0.051 0.000 1.048 248 K CA 1.588 57.832 56.287 -0.071 0.000 0.928 248 K CB -0.629 31.821 32.500 -0.083 0.000 0.713 248 K HN 0.057 nan 8.250 nan 0.000 0.442 249 A N 0.830 123.626 122.820 -0.040 0.000 1.969 249 A HA -0.087 4.237 4.320 0.007 0.000 0.218 249 A C 2.311 179.891 177.584 -0.006 0.000 1.169 249 A CA 1.113 53.133 52.037 -0.027 0.000 0.635 249 A CB -0.461 18.526 19.000 -0.023 0.000 0.810 249 A HN 0.060 nan 8.150 nan 0.000 0.445 250 V N 0.220 120.141 119.914 0.011 0.000 2.261 250 V HA -0.277 3.848 4.120 0.007 0.000 0.246 250 V C 2.548 178.683 176.094 0.068 0.000 1.047 250 V CA 2.084 64.421 62.300 0.062 0.000 1.015 250 V CB -0.827 31.047 31.823 0.084 0.000 0.642 250 V HN 0.582 nan 8.190 nan 0.000 0.446 251 L N 0.007 121.248 121.223 0.029 0.000 2.131 251 L HA -0.174 4.170 4.340 0.007 0.000 0.210 251 L C 2.434 179.289 176.870 -0.025 0.000 1.092 251 L CA 1.664 56.503 54.840 -0.001 0.000 0.759 251 L CB -0.699 41.337 42.059 -0.039 0.000 0.903 251 L HN 0.387 nan 8.230 nan 0.000 0.435 252 D N 0.501 120.877 120.400 -0.039 0.000 2.104 252 D HA -0.190 4.454 4.640 0.007 0.000 0.194 252 D C 2.328 178.592 176.300 -0.059 0.000 0.994 252 D CA 1.439 55.403 54.000 -0.059 0.000 0.830 252 D CB 0.096 40.863 40.800 -0.055 0.000 0.959 252 D HN 0.141 nan 8.370 nan 0.000 0.452 253 R N -1.058 119.422 120.500 -0.033 0.000 2.075 253 R HA -0.165 4.179 4.340 0.007 0.000 0.232 253 R C 2.436 178.710 176.300 -0.043 0.000 1.126 253 R CA 1.198 57.273 56.100 -0.043 0.000 0.963 253 R CB -0.646 29.637 30.300 -0.029 0.000 0.858 253 R HN 0.357 nan 8.270 nan 0.000 0.435 254 Y N 2.006 122.208 120.300 -0.163 0.000 2.145 254 Y HA -0.253 4.301 4.550 0.007 0.000 0.286 254 Y C 2.555 178.290 175.900 -0.276 0.000 1.145 254 Y CA 2.145 60.085 58.100 -0.267 0.000 1.148 254 Y CB -0.452 37.628 38.460 -0.633 0.000 0.981 254 Y HN 0.109 nan 8.280 nan 0.000 0.507 255 T N -1.451 112.909 114.554 -0.324 0.000 2.904 255 T HA -0.131 4.223 4.350 0.007 0.000 0.267 255 T C 2.028 176.536 174.700 -0.319 0.000 1.059 255 T CA 1.122 62.980 62.100 -0.403 0.000 1.137 255 T CB -0.494 68.215 68.868 -0.265 0.000 0.879 255 T HN 0.425 nan 8.240 nan 0.000 0.467 256 R N -0.464 119.915 120.500 -0.203 0.000 2.081 256 R HA -0.074 4.271 4.340 0.007 0.000 0.235 256 R C 2.162 178.382 176.300 -0.134 0.000 1.131 256 R CA 1.343 57.354 56.100 -0.147 0.000 0.960 256 R CB -0.502 29.742 30.300 -0.093 0.000 0.856 256 R HN 0.416 nan 8.270 nan 0.000 0.436 257 F N 1.128 120.856 119.950 -0.370 0.000 2.113 257 F HA -0.103 4.428 4.527 0.007 0.000 0.297 257 F C 2.221 177.732 175.800 -0.482 0.000 1.103 257 F CA 2.031 59.785 58.000 -0.409 0.000 1.248 257 F CB -0.570 38.160 39.000 -0.450 0.000 0.999 257 F HN 0.149 nan 8.300 nan 0.000 0.475 258 T N -2.431 111.652 114.554 -0.786 0.000 3.001 258 T HA 0.526 4.880 4.350 0.007 0.000 0.251 258 T C 0.737 175.060 174.700 -0.629 0.000 1.040 258 T CA 0.357 61.930 62.100 -0.878 0.000 0.985 258 T CB -0.032 68.141 68.868 -1.159 0.000 1.011 258 T HN 0.631 nan 8.240 nan 0.000 0.509 259 G N 0.799 109.280 108.800 -0.531 0.000 2.397 259 G HA2 0.318 4.282 3.960 0.007 0.000 0.453 259 G HA3 0.318 4.282 3.960 0.007 0.000 0.453 259 G C -1.462 173.193 174.900 -0.408 0.000 1.579 259 G CA -1.330 43.512 45.100 -0.430 0.000 0.906 259 G HN 0.357 nan 8.290 nan 0.000 0.675 260 R N 1.747 122.060 120.500 -0.312 0.000 2.308 260 R HA 0.646 4.990 4.340 0.007 0.000 0.305 260 R C -2.191 173.954 176.300 -0.259 0.000 1.053 260 R CA -2.126 53.825 56.100 -0.249 0.000 0.957 260 R CB 0.573 30.776 30.300 -0.161 0.000 1.022 260 R HN 0.371 nan 8.270 nan 0.000 0.461 261 P HA 0.008 nan 4.420 nan 0.000 0.262 261 P C -0.885 176.413 177.300 -0.002 0.000 1.182 261 P CA 0.174 63.207 63.100 -0.112 0.000 0.761 261 P CB 0.653 32.347 31.700 -0.009 0.000 0.795 262 A N 3.652 126.450 122.820 -0.036 0.000 2.366 262 A HA 0.293 4.617 4.320 0.007 0.000 0.249 262 A C -0.193 177.466 177.584 0.124 0.000 1.084 262 A CA -0.257 51.818 52.037 0.063 0.000 0.794 262 A CB -0.199 18.895 19.000 0.156 0.000 1.034 262 A HN 0.588 nan 8.150 nan 0.000 0.491 263 L N 2.865 124.149 121.223 0.101 0.000 2.261 263 L HA 0.487 4.831 4.340 0.007 0.000 0.289 263 L C -2.317 174.555 176.870 0.003 0.000 1.059 263 L CA -1.657 53.198 54.840 0.025 0.000 0.816 263 L CB 0.543 42.614 42.059 0.020 0.000 1.191 263 L HN 0.350 nan 8.230 nan 0.000 0.431 264 P HA 0.243 nan 4.420 nan 0.000 0.272 264 P C -2.631 174.742 177.300 0.121 0.000 1.223 264 P CA -1.053 61.982 63.100 -0.109 0.000 0.784 264 P CB -0.110 31.361 31.700 -0.381 0.000 0.923 265 P HA -0.019 nan 4.420 nan 0.000 0.269 265 P C 0.268 177.573 177.300 0.008 0.000 1.209 265 P CA 0.119 63.168 63.100 -0.085 0.000 0.776 265 P CB 0.642 32.068 31.700 -0.457 0.000 0.876 266 A N 4.565 127.432 122.820 0.077 0.000 1.940 266 A HA -0.174 4.150 4.320 0.007 0.000 0.219 266 A C 2.073 179.802 177.584 0.242 0.000 1.176 266 A CA 1.641 53.742 52.037 0.108 0.000 0.631 266 A CB -1.803 17.085 19.000 -0.187 0.000 0.814 266 A HN 0.844 nan 8.150 nan 0.000 0.446 267 W N 1.039 122.435 121.300 0.160 0.000 2.331 267 W HA -0.227 4.437 4.660 0.007 0.000 0.291 267 W C 1.823 178.446 176.519 0.174 0.000 1.214 267 W CA 1.546 58.956 57.345 0.108 0.000 1.228 267 W CB -1.446 28.031 29.460 0.028 0.000 1.135 267 W HN 0.538 nan 8.180 nan 0.000 0.537 268 S N 0.304 115.937 115.700 -0.113 0.000 2.474 268 S HA -0.149 4.325 4.470 0.007 0.000 0.235 268 S C 1.407 176.161 174.600 0.257 0.000 0.997 268 S CA 0.682 58.953 58.200 0.119 0.000 0.949 268 S CB -1.364 61.726 63.200 -0.183 0.000 0.766 268 S HN 0.198 nan 8.310 nan 0.000 0.517 269 F N 2.576 122.591 119.950 0.109 0.000 2.802 269 F HA 0.328 4.859 4.527 0.007 0.000 0.300 269 F C 1.988 177.844 175.800 0.093 0.000 1.168 269 F CA -0.071 57.909 58.000 -0.033 0.000 1.433 269 F CB -0.566 38.410 39.000 -0.040 0.000 1.115 269 F HN 0.341 nan 8.300 nan 0.000 0.582 270 G N 0.018 108.996 108.800 0.296 0.000 2.504 270 G HA2 0.311 4.275 3.960 0.007 0.000 0.257 270 G HA3 0.311 4.275 3.960 0.007 0.000 0.257 270 G C -1.089 174.118 174.900 0.512 0.000 1.451 270 G CA -0.496 44.751 45.100 0.245 0.000 1.059 270 G HN -0.012 nan 8.290 nan 0.000 0.550 271 L N -0.366 121.273 121.223 0.694 0.000 2.264 271 L HA 0.572 4.916 4.340 0.007 0.000 0.289 271 L C -1.334 175.732 176.870 0.327 0.000 1.044 271 L CA -1.040 54.057 54.840 0.429 0.000 0.807 271 L CB 0.776 42.999 42.059 0.274 0.000 1.192 271 L HN 0.411 nan 8.230 nan 0.000 0.425 272 W N 6.419 127.746 121.300 0.045 0.000 2.390 272 W HA 0.550 5.214 4.660 0.007 0.000 0.312 272 W C -0.501 175.947 176.519 -0.117 0.000 1.123 272 W CA -0.477 56.833 57.345 -0.060 0.000 1.202 272 W CB 1.129 30.468 29.460 -0.202 0.000 1.251 272 W HN 0.275 nan 8.180 nan 0.000 0.511 273 L N 4.141 125.393 121.223 0.050 0.000 2.354 273 L HA 0.669 5.013 4.340 0.007 0.000 0.269 273 L C 0.014 176.686 176.870 -0.330 0.000 1.005 273 L CA -0.372 54.444 54.840 -0.041 0.000 0.819 273 L CB 1.950 44.061 42.059 0.087 0.000 1.311 273 L HN 0.597 nan 8.230 nan 0.000 0.423 274 T N -1.144 113.254 114.554 -0.260 0.000 2.940 274 T HA 0.315 4.669 4.350 0.007 0.000 0.288 274 T C 1.127 175.706 174.700 -0.202 0.000 1.045 274 T CA 0.211 62.076 62.100 -0.392 0.000 1.018 274 T CB 1.395 70.302 68.868 0.065 0.000 1.151 274 T HN 0.725 nan 8.240 nan 0.000 0.529 275 T N -0.842 113.540 114.554 -0.287 0.000 3.051 275 T HA 0.196 4.550 4.350 0.007 0.000 0.269 275 T C 0.896 175.656 174.700 0.101 0.000 1.127 275 T CA 0.443 62.485 62.100 -0.097 0.000 1.107 275 T CB -0.860 67.466 68.868 -0.903 0.000 0.898 275 T HN 1.077 nan 8.240 nan 0.000 0.517 276 S N -0.210 115.576 115.700 0.145 0.000 3.914 276 S HA -0.152 4.322 4.470 0.007 0.000 0.674 276 S C -0.011 174.799 174.600 0.350 0.000 1.528 276 S CA 0.055 58.356 58.200 0.169 0.000 1.636 276 S CB -1.344 61.889 63.200 0.053 0.000 0.356 276 S HN 0.424 nan 8.310 nan 0.000 1.280 277 F N 2.088 122.161 119.950 0.204 0.000 2.085 277 F HA 0.140 4.672 4.527 0.007 0.000 0.284 277 F C 2.471 178.583 175.800 0.520 0.000 1.127 277 F CA 2.146 60.396 58.000 0.417 0.000 1.164 277 F CB -1.112 38.162 39.000 0.457 0.000 1.035 277 F HN 0.752 nan 8.300 nan 0.000 0.481 278 T N -1.108 113.396 114.554 -0.083 0.000 3.223 278 T HA 0.236 4.590 4.350 0.007 0.000 0.259 278 T C 0.543 175.092 174.700 -0.253 0.000 1.015 278 T CA 0.187 62.096 62.100 -0.319 0.000 0.908 278 T CB -1.500 67.085 68.868 -0.472 0.000 1.054 278 T HN 0.335 nan 8.240 nan 0.000 0.567 279 T N 0.608 115.143 114.554 -0.032 0.000 2.732 279 T HA 0.325 4.679 4.350 0.007 0.000 0.287 279 T C 0.093 174.786 174.700 -0.011 0.000 0.993 279 T CA -0.807 61.246 62.100 -0.079 0.000 0.966 279 T CB 0.150 68.941 68.868 -0.128 0.000 1.047 279 T HN 0.331 nan 8.240 nan 0.000 0.527 280 N N 0.710 119.439 118.700 0.049 0.000 2.529 280 N HA 0.535 5.279 4.740 0.007 0.000 0.278 280 N C -1.285 174.411 175.510 0.310 0.000 1.146 280 N CA -0.573 52.479 53.050 0.004 0.000 0.980 280 N CB 0.468 38.961 38.487 0.010 0.000 1.124 280 N HN 0.802 nan 8.380 nan 0.000 0.458 281 Y N -1.445 118.915 120.300 0.100 0.000 2.465 281 Y HA 0.453 5.007 4.550 0.007 0.000 0.323 281 Y C -1.823 174.137 175.900 0.100 0.000 1.191 281 Y CA -1.372 56.821 58.100 0.155 0.000 1.082 281 Y CB 0.894 39.546 38.460 0.320 0.000 1.334 281 Y HN 0.505 nan 8.280 nan 0.000 0.449 282 D N 0.258 120.758 120.400 0.166 0.000 2.768 282 D HA 0.171 4.815 4.640 0.007 0.000 0.327 282 D C 0.393 176.780 176.300 0.145 0.000 1.302 282 D CA -0.586 53.298 54.000 -0.194 0.000 0.897 282 D CB 1.062 41.690 40.800 -0.288 0.000 1.420 282 D HN 0.694 nan 8.370 nan 0.000 0.494 283 E N -0.292 119.982 120.200 0.124 0.000 2.077 283 E HA -0.169 4.185 4.350 0.007 0.000 0.193 283 E C 1.888 178.510 176.600 0.036 0.000 0.989 283 E CA 1.469 57.995 56.400 0.211 0.000 0.800 283 E CB -0.267 29.532 29.700 0.164 0.000 0.746 283 E HN 0.470 nan 8.360 nan 0.000 0.452 284 A N 0.377 123.183 122.820 -0.024 0.000 1.883 284 A HA -0.204 4.120 4.320 0.007 0.000 0.217 284 A C 2.404 179.910 177.584 -0.130 0.000 1.186 284 A CA 2.185 54.181 52.037 -0.068 0.000 0.624 284 A CB -1.128 17.835 19.000 -0.063 0.000 0.822 284 A HN 0.376 nan 8.150 nan 0.000 0.444 285 T N -0.255 114.205 114.554 -0.156 0.000 2.684 285 T HA -0.152 4.202 4.350 0.007 0.000 0.267 285 T C 1.869 176.213 174.700 -0.594 0.000 1.036 285 T CA 1.711 63.595 62.100 -0.360 0.000 1.148 285 T CB -0.553 68.160 68.868 -0.259 0.000 0.863 285 T HN 0.165 nan 8.240 nan 0.000 0.436 286 V N 2.465 122.165 119.914 -0.356 0.000 2.307 286 V HA -0.183 3.941 4.120 0.007 0.000 0.245 286 V C 2.484 178.330 176.094 -0.414 0.000 1.045 286 V CA 1.554 63.563 62.300 -0.485 0.000 1.024 286 V CB -0.683 30.922 31.823 -0.363 0.000 0.651 286 V HN 0.433 nan 8.190 nan 0.000 0.449 287 N N 0.239 118.795 118.700 -0.240 0.000 2.061 287 N HA -0.192 4.552 4.740 0.007 0.000 0.193 287 N C 2.155 177.600 175.510 -0.108 0.000 1.030 287 N CA 1.951 54.905 53.050 -0.160 0.000 0.856 287 N CB -0.708 37.718 38.487 -0.102 0.000 1.023 287 N HN 0.465 nan 8.380 nan 0.000 0.424 288 S N -0.115 115.517 115.700 -0.112 0.000 2.400 288 S HA -0.075 4.399 4.470 0.007 0.000 0.232 288 S C 1.690 176.422 174.600 0.221 0.000 1.025 288 S CA 0.789 58.986 58.200 -0.004 0.000 0.993 288 S CB -0.237 62.938 63.200 -0.041 0.000 0.808 288 S HN 0.173 nan 8.310 nan 0.000 0.478 289 F N 1.355 121.318 119.950 0.022 0.000 2.163 289 F HA 0.198 4.729 4.527 0.007 0.000 0.297 289 F C 2.151 178.023 175.800 0.120 0.000 1.094 289 F CA -0.068 58.020 58.000 0.145 0.000 1.290 289 F CB -1.172 37.867 39.000 0.065 0.000 1.017 289 F HN 0.221 nan 8.300 nan 0.000 0.483 290 I N 0.014 120.661 120.570 0.129 0.000 2.179 290 I HA -0.279 3.895 4.170 0.007 0.000 0.242 290 I C 2.019 178.154 176.117 0.029 0.000 1.088 290 I CA 1.428 62.742 61.300 0.023 0.000 1.357 290 I CB -0.437 37.482 38.000 -0.136 0.000 1.051 290 I HN -0.016 nan 8.210 nan 0.000 0.409 291 D N 0.882 121.284 120.400 0.004 0.000 2.144 291 D HA -0.117 4.527 4.640 0.007 0.000 0.200 291 D C 2.233 178.505 176.300 -0.046 0.000 0.978 291 D CA 1.472 55.455 54.000 -0.028 0.000 0.833 291 D CB -0.611 40.162 40.800 -0.046 0.000 0.961 291 D HN 0.385 nan 8.370 nan 0.000 0.470 292 G N 0.669 109.462 108.800 -0.011 0.000 2.442 292 G HA2 -0.244 3.720 3.960 0.007 0.000 0.219 292 G HA3 -0.244 3.720 3.960 0.007 0.000 0.219 292 G C 1.550 176.304 174.900 -0.242 0.000 1.141 292 G CA 0.628 45.577 45.100 -0.251 0.000 0.763 292 G HN 0.121 nan 8.290 nan 0.000 0.554 293 M N 0.984 120.664 119.600 0.133 0.000 2.123 293 M HA 0.104 4.588 4.480 0.007 0.000 0.263 293 M C 3.096 179.419 176.300 0.038 0.000 1.069 293 M CA 1.307 56.715 55.300 0.181 0.000 1.133 293 M CB -1.298 31.421 32.600 0.199 0.000 1.356 293 M HN 0.308 nan 8.290 nan 0.000 0.415 294 A N 0.315 123.136 122.820 0.000 0.000 1.908 294 A HA -0.198 4.127 4.320 0.007 0.000 0.218 294 A C 2.029 179.583 177.584 -0.050 0.000 1.181 294 A CA 1.912 53.932 52.037 -0.028 0.000 0.627 294 A CB -0.855 18.123 19.000 -0.037 0.000 0.818 294 A HN 0.599 nan 8.150 nan 0.000 0.445 295 E N -0.902 119.246 120.200 -0.087 0.000 2.265 295 E HA -0.122 4.232 4.350 0.007 0.000 0.196 295 E C 1.757 178.298 176.600 -0.098 0.000 0.996 295 E CA 0.764 57.100 56.400 -0.106 0.000 0.832 295 E CB -0.062 29.544 29.700 -0.157 0.000 0.756 295 E HN 0.535 nan 8.360 nan 0.000 0.491 296 R N 0.355 120.801 120.500 -0.090 0.000 2.362 296 R HA 0.130 4.474 4.340 0.007 0.000 0.227 296 R C -0.138 176.164 176.300 0.004 0.000 0.905 296 R CA -0.086 55.985 56.100 -0.049 0.000 1.067 296 R CB 0.339 30.611 30.300 -0.046 0.000 1.078 296 R HN 0.055 nan 8.270 nan 0.000 0.516 297 N N 1.194 119.892 118.700 -0.003 0.000 2.740 297 N HA -0.181 4.563 4.740 0.007 0.000 0.248 297 N C -1.061 174.471 175.510 0.036 0.000 1.062 297 N CA 0.874 53.930 53.050 0.010 0.000 0.704 297 N CB -1.163 37.328 38.487 0.007 0.000 0.968 297 N HN 0.281 nan 8.380 nan 0.000 0.547 298 L N 0.700 121.954 121.223 0.053 0.000 2.277 298 L HA 0.387 4.731 4.340 0.007 0.000 0.284 298 L C -1.979 174.911 176.870 0.033 0.000 1.028 298 L CA -1.597 53.292 54.840 0.081 0.000 0.835 298 L CB 1.091 43.239 42.059 0.148 0.000 1.215 298 L HN -0.265 nan 8.230 nan 0.000 0.425 299 P HA 0.085 nan 4.420 nan 0.000 0.265 299 P C -0.933 176.195 177.300 -0.286 0.000 1.193 299 P CA -0.040 63.010 63.100 -0.083 0.000 0.765 299 P CB 0.755 32.504 31.700 0.081 0.000 0.823 300 L N 3.605 124.521 121.223 -0.512 0.000 2.464 300 L HA 0.398 4.742 4.340 0.007 0.000 0.266 300 L C -0.144 176.348 176.870 -0.631 0.000 0.965 300 L CA -0.019 54.536 54.840 -0.475 0.000 0.833 300 L CB 1.769 43.755 42.059 -0.122 0.000 1.296 300 L HN 0.407 nan 8.230 nan 0.000 0.405 301 H N 2.739 121.822 119.070 0.022 0.000 2.927 301 H HA 0.514 5.074 4.556 0.007 0.000 0.255 301 H C -0.665 174.570 175.328 -0.155 0.000 0.974 301 H CA 0.164 56.198 56.048 -0.022 0.000 1.199 301 H CB 1.043 30.847 29.762 0.069 0.000 1.447 301 H HN 0.251 nan 8.280 nan 0.000 0.467 302 V N 1.158 120.967 119.914 -0.175 0.000 2.623 302 V HA 0.208 4.332 4.120 0.007 0.000 0.304 302 V C -1.508 174.458 176.094 -0.214 0.000 1.054 302 V CA -0.900 61.144 62.300 -0.427 0.000 0.882 302 V CB 2.329 33.380 31.823 -1.287 0.000 1.002 302 V HN 0.094 nan 8.190 nan 0.000 0.424 303 F N 3.731 123.521 119.950 -0.266 0.000 2.443 303 F HA 0.729 5.260 4.527 0.007 0.000 0.335 303 F C -0.253 175.462 175.800 -0.141 0.000 1.104 303 F CA -0.389 57.501 58.000 -0.184 0.000 1.013 303 F CB 1.401 40.281 39.000 -0.201 0.000 1.136 303 F HN 0.720 nan 8.300 nan 0.000 0.470 304 H N 5.236 123.707 119.070 -0.998 0.000 2.505 304 H HA 0.426 4.986 4.556 0.007 0.000 0.338 304 H C -1.685 173.239 175.328 -0.672 0.000 1.057 304 H CA -0.789 54.923 56.048 -0.560 0.000 1.202 304 H CB 0.772 30.306 29.762 -0.379 0.000 1.466 304 H HN 0.485 nan 8.280 nan 0.000 0.499 305 F N 4.158 123.625 119.950 -0.806 0.000 2.390 305 F HA 0.175 4.706 4.527 0.007 0.000 0.361 305 F C 0.751 176.186 175.800 -0.609 0.000 1.124 305 F CA -0.455 57.240 58.000 -0.509 0.000 1.149 305 F CB 0.587 39.430 39.000 -0.262 0.000 1.160 305 F HN 0.635 nan 8.300 nan 0.000 0.501 306 D N 1.343 121.637 120.400 -0.177 0.000 2.376 306 D HA 0.113 4.757 4.640 0.007 0.000 0.268 306 D C 1.133 177.625 176.300 0.321 0.000 1.252 306 D CA -0.401 53.712 54.000 0.187 0.000 1.041 306 D CB 0.744 41.737 40.800 0.321 0.000 1.109 306 D HN 0.563 nan 8.370 nan 0.000 0.552 307 C N -0.424 118.751 119.300 -0.208 0.000 2.403 307 C HA -0.131 4.333 4.460 0.007 0.000 0.277 307 C C 2.272 176.723 174.990 -0.897 0.000 1.248 307 C CA 0.158 58.437 59.018 -1.231 0.000 1.762 307 C CB -1.299 24.969 27.740 -2.454 0.000 2.014 307 C HN 0.456 nan 8.230 nan 0.000 0.486 308 F N 1.595 121.539 119.950 -0.009 0.000 2.754 308 F HA 0.012 4.543 4.527 0.007 0.000 0.303 308 F C 2.063 178.090 175.800 0.379 0.000 1.196 308 F CA 0.069 58.161 58.000 0.154 0.000 1.416 308 F CB -0.743 38.200 39.000 -0.096 0.000 1.092 308 F HN 0.587 nan 8.300 nan 0.000 0.541 309 W N -0.393 121.141 121.300 0.390 0.000 2.519 309 W HA 0.082 4.746 4.660 0.007 0.000 0.266 309 W C 0.056 176.650 176.519 0.125 0.000 1.253 309 W CA 0.220 57.705 57.345 0.233 0.000 1.274 309 W CB -0.634 28.618 29.460 -0.346 0.000 1.114 309 W HN -0.035 nan 8.180 nan 0.000 0.596 310 M N 1.550 120.909 119.600 -0.402 0.000 2.573 310 M HA 0.290 4.774 4.480 0.007 0.000 0.309 310 M C 0.274 176.667 176.300 0.154 0.000 1.202 310 M CA -0.617 54.536 55.300 -0.244 0.000 0.975 310 M CB 1.688 33.994 32.600 -0.489 0.000 1.600 310 M HN -0.366 nan 8.290 nan 0.000 0.479 311 K N 1.290 121.764 120.400 0.123 0.000 2.448 311 K HA 0.312 4.636 4.320 0.007 0.000 0.278 311 K C -0.169 176.348 176.600 -0.138 0.000 1.009 311 K CA -0.367 55.962 56.287 0.070 0.000 0.995 311 K CB 0.569 33.100 32.500 0.051 0.000 0.917 311 K HN 0.748 nan 8.250 nan 0.000 0.481 312 A N 2.783 125.420 122.820 -0.306 0.000 2.561 312 A HA 0.088 4.412 4.320 0.007 0.000 0.234 312 A C 0.104 177.120 177.584 -0.948 0.000 1.055 312 A CA 0.112 51.571 52.037 -0.964 0.000 0.756 312 A CB -0.567 17.884 19.000 -0.915 0.000 0.986 312 A HN 0.786 nan 8.150 nan 0.000 0.505 313 F N -1.376 117.985 119.950 -0.982 0.000 2.825 313 F HA -0.252 4.279 4.527 0.007 0.000 0.358 313 F C 1.214 176.764 175.800 -0.415 0.000 0.639 313 F CA 1.672 59.291 58.000 -0.633 0.000 1.153 313 F CB -1.971 36.790 39.000 -0.397 0.000 1.610 313 F HN 0.731 nan 8.300 nan 0.000 0.305 314 Q N -1.419 118.216 119.800 -0.275 0.000 2.179 314 Q HA 0.066 4.410 4.340 0.007 0.000 0.213 314 Q C -0.098 175.973 176.000 0.119 0.000 0.833 314 Q CA -0.354 55.434 55.803 -0.026 0.000 0.990 314 Q CB 0.368 29.118 28.738 0.020 0.000 1.132 314 Q HN 0.293 nan 8.270 nan 0.000 0.493 315 W N 0.297 121.573 121.300 -0.040 0.000 2.264 315 W HA 0.049 4.713 4.660 0.007 0.000 0.331 315 W C 0.748 177.392 176.519 0.208 0.000 1.364 315 W CA -1.067 56.301 57.345 0.040 0.000 1.253 315 W CB 0.025 29.508 29.460 0.039 0.000 1.215 315 W HN 0.147 nan 8.180 nan 0.000 0.561 316 C N 4.074 123.602 119.300 0.380 0.000 4.619 316 C HA -0.247 4.217 4.460 0.007 0.000 0.304 316 C C 1.168 176.110 174.990 -0.079 0.000 1.281 316 C CA 0.815 59.851 59.018 0.031 0.000 2.101 316 C CB -2.260 25.437 27.740 -0.072 0.000 1.221 316 C HN 0.725 nan 8.230 nan 0.000 0.760 317 D N -1.327 119.040 120.400 -0.054 0.000 2.433 317 D HA 0.193 4.837 4.640 0.007 0.000 0.211 317 D C 0.875 177.297 176.300 0.203 0.000 1.114 317 D CA -0.015 54.089 54.000 0.173 0.000 0.837 317 D CB -0.301 40.653 40.800 0.258 0.000 0.984 317 D HN 0.516 nan 8.370 nan 0.000 0.505 318 F N -0.274 119.705 119.950 0.049 0.000 2.953 318 F HA -0.198 4.333 4.527 0.007 0.000 0.292 318 F C 0.052 175.914 175.800 0.103 0.000 0.747 318 F CA 0.473 58.507 58.000 0.056 0.000 1.222 318 F CB -1.840 37.203 39.000 0.070 0.000 1.457 318 F HN -0.007 nan 8.300 nan 0.000 0.383 319 E N 0.224 120.504 120.200 0.133 0.000 2.134 319 E HA 0.204 4.558 4.350 0.007 0.000 0.278 319 E C -0.329 176.399 176.600 0.213 0.000 0.959 319 E CA -0.723 55.822 56.400 0.243 0.000 0.783 319 E CB 0.524 30.354 29.700 0.216 0.000 1.095 319 E HN 0.187 nan 8.360 nan 0.000 0.399 320 W N 1.755 123.290 121.300 0.392 0.000 2.223 320 W HA -0.031 4.633 4.660 0.007 0.000 0.334 320 W C 0.990 177.708 176.519 0.331 0.000 1.334 320 W CA 0.101 57.718 57.345 0.454 0.000 1.246 320 W CB 0.352 30.040 29.460 0.380 0.000 1.184 320 W HN 0.308 nan 8.180 nan 0.000 0.563 321 D N 5.157 125.915 120.400 0.595 0.000 2.363 321 D HA 0.028 4.672 4.640 0.007 0.000 0.263 321 D C -1.272 175.273 176.300 0.408 0.000 1.258 321 D CA -1.787 52.469 54.000 0.427 0.000 0.907 321 D CB 1.151 42.190 40.800 0.400 0.000 1.107 321 D HN 0.062 nan 8.370 nan 0.000 0.495 322 P HA -0.007 nan 4.420 nan 0.000 0.241 322 P C 1.265 178.643 177.300 0.129 0.000 1.191 322 P CA 0.444 63.671 63.100 0.212 0.000 0.771 322 P CB 0.295 32.096 31.700 0.167 0.000 0.929 323 L N -1.428 119.856 121.223 0.101 0.000 2.477 323 L HA 0.097 4.441 4.340 0.007 0.000 0.220 323 L C 1.665 178.513 176.870 -0.035 0.000 1.106 323 L CA 1.006 55.864 54.840 0.031 0.000 0.851 323 L CB -0.622 41.450 42.059 0.022 0.000 0.994 323 L HN -0.044 nan 8.230 nan 0.000 0.462 324 T N -1.405 113.118 114.554 -0.052 0.000 2.978 324 T HA 0.197 4.551 4.350 0.007 0.000 0.248 324 T C 0.057 174.357 174.700 -0.667 0.000 1.018 324 T CA 0.291 62.181 62.100 -0.351 0.000 1.026 324 T CB 0.317 68.974 68.868 -0.352 0.000 1.032 324 T HN -0.048 nan 8.240 nan 0.000 0.485 325 F N 1.371 121.449 119.950 0.212 0.000 2.769 325 F HA 0.395 4.926 4.527 0.007 0.000 0.358 325 F C -2.445 173.406 175.800 0.086 0.000 1.285 325 F CA -2.515 55.586 58.000 0.168 0.000 1.199 325 F CB 1.499 40.695 39.000 0.327 0.000 1.558 325 F HN -0.091 nan 8.300 nan 0.000 0.583 326 P HA -0.057 nan 4.420 nan 0.000 0.229 326 P C 0.049 177.369 177.300 0.034 0.000 1.160 326 P CA 1.171 64.322 63.100 0.084 0.000 0.777 326 P CB 0.392 32.116 31.700 0.040 0.000 0.814 327 D N -1.386 119.010 120.400 -0.006 0.000 2.517 327 D HA 0.153 4.797 4.640 0.007 0.000 0.263 327 D C -1.976 174.191 176.300 -0.222 0.000 1.233 327 D CA -2.120 51.827 54.000 -0.088 0.000 0.849 327 D CB 0.532 41.293 40.800 -0.064 0.000 1.261 327 D HN -0.141 nan 8.370 nan 0.000 0.516 328 P HA -0.111 nan 4.420 nan 0.000 0.215 328 P C 1.263 178.168 177.300 -0.658 0.000 1.157 328 P CA 0.861 63.401 63.100 -0.933 0.000 0.863 328 P CB 0.432 31.104 31.700 -1.714 0.000 0.787 329 E N -0.384 119.564 120.200 -0.419 0.000 2.106 329 E HA -0.107 4.247 4.350 0.007 0.000 0.192 329 E C 2.191 178.662 176.600 -0.216 0.000 0.984 329 E CA 1.229 57.461 56.400 -0.280 0.000 0.806 329 E CB -0.844 28.747 29.700 -0.181 0.000 0.750 329 E HN 0.142 nan 8.360 nan 0.000 0.458 330 G N 1.477 110.166 108.800 -0.185 0.000 2.421 330 G HA2 -0.319 3.645 3.960 0.007 0.000 0.216 330 G HA3 -0.319 3.645 3.960 0.007 0.000 0.216 330 G C 1.558 176.374 174.900 -0.140 0.000 1.171 330 G CA 0.935 45.954 45.100 -0.135 0.000 0.775 330 G HN 0.303 nan 8.290 nan 0.000 0.543 331 M N 0.681 120.178 119.600 -0.170 0.000 2.065 331 M HA -0.102 4.382 4.480 0.007 0.000 0.259 331 M C 2.528 178.745 176.300 -0.139 0.000 1.069 331 M CA 2.258 57.479 55.300 -0.131 0.000 1.110 331 M CB -0.270 32.258 32.600 -0.121 0.000 1.328 331 M HN 0.317 nan 8.290 nan 0.000 0.405 332 I N -0.502 119.933 120.570 -0.225 0.000 2.315 332 I HA -0.153 4.021 4.170 0.007 0.000 0.248 332 I C 2.157 178.196 176.117 -0.130 0.000 1.117 332 I CA 1.541 62.739 61.300 -0.170 0.000 1.404 332 I CB -0.616 37.246 38.000 -0.230 0.000 1.071 332 I HN 0.191 nan 8.210 nan 0.000 0.419 333 R N 0.961 121.378 120.500 -0.138 0.000 2.091 333 R HA -0.078 4.266 4.340 0.007 0.000 0.238 333 R C 2.498 178.739 176.300 -0.098 0.000 1.136 333 R CA 1.799 57.831 56.100 -0.114 0.000 0.959 333 R CB -0.434 29.801 30.300 -0.108 0.000 0.856 333 R HN 0.395 nan 8.270 nan 0.000 0.437 334 R N -0.372 120.073 120.500 -0.092 0.000 2.096 334 R HA -0.054 4.290 4.340 0.007 0.000 0.235 334 R C 2.162 178.414 176.300 -0.081 0.000 1.127 334 R CA 1.361 57.414 56.100 -0.079 0.000 0.968 334 R CB -0.301 29.956 30.300 -0.071 0.000 0.861 334 R HN 0.216 nan 8.270 nan 0.000 0.440 335 L N 0.168 121.343 121.223 -0.080 0.000 2.156 335 L HA -0.121 4.224 4.340 0.007 0.000 0.208 335 L C 2.334 179.149 176.870 -0.092 0.000 1.095 335 L CA 1.021 55.812 54.840 -0.082 0.000 0.770 335 L CB -0.189 41.840 42.059 -0.051 0.000 0.914 335 L HN 0.036 nan 8.230 nan 0.000 0.439 336 K N 0.488 120.828 120.400 -0.100 0.000 2.167 336 K HA -0.011 4.313 4.320 0.007 0.000 0.203 336 K C 2.111 178.645 176.600 -0.109 0.000 1.052 336 K CA 1.019 57.234 56.287 -0.119 0.000 0.956 336 K CB -0.102 32.318 32.500 -0.134 0.000 0.735 336 K HN 0.176 nan 8.250 nan 0.000 0.451 337 A N 1.420 124.184 122.820 -0.093 0.000 1.917 337 A HA -0.231 4.093 4.320 0.007 0.000 0.219 337 A C 1.511 179.048 177.584 -0.077 0.000 1.182 337 A CA 1.926 53.914 52.037 -0.081 0.000 0.633 337 A CB -0.514 18.443 19.000 -0.072 0.000 0.819 337 A HN 0.386 nan 8.150 nan 0.000 0.448 338 K N -0.922 119.431 120.400 -0.079 0.000 2.643 338 K HA 0.201 4.525 4.320 0.007 0.000 0.193 338 K C 1.207 177.763 176.600 -0.075 0.000 1.027 338 K CA 0.437 56.680 56.287 -0.073 0.000 1.033 338 K CB -0.394 32.061 32.500 -0.076 0.000 0.827 338 K HN 0.732 nan 8.250 nan 0.000 0.500 339 G N 1.245 109.993 108.800 -0.087 0.000 2.284 339 G HA2 -0.301 3.663 3.960 0.007 0.000 0.247 339 G HA3 -0.301 3.663 3.960 0.007 0.000 0.247 339 G C 0.264 175.090 174.900 -0.124 0.000 1.012 339 G CA -0.246 44.799 45.100 -0.091 0.000 0.618 339 G HN 0.240 nan 8.290 nan 0.000 0.521 340 L N 1.090 122.239 121.223 -0.123 0.000 2.554 340 L HA 0.171 4.515 4.340 0.007 0.000 0.293 340 L C 0.761 177.477 176.870 -0.257 0.000 1.252 340 L CA 0.306 55.056 54.840 -0.150 0.000 0.862 340 L CB 0.308 42.302 42.059 -0.108 0.000 1.113 340 L HN 0.088 nan 8.230 nan 0.000 0.510 341 K N 3.203 123.387 120.400 -0.360 0.000 2.098 341 K HA 0.522 4.846 4.320 0.007 0.000 0.258 341 K C -0.789 175.597 176.600 -0.357 0.000 0.973 341 K CA -0.693 55.261 56.287 -0.554 0.000 0.898 341 K CB 1.762 33.606 32.500 -1.092 0.000 1.057 341 K HN 0.232 nan 8.250 nan 0.000 0.447 342 I N 0.970 121.357 120.570 -0.305 0.000 2.406 342 I HA 0.165 4.339 4.170 0.007 0.000 0.290 342 I C -0.254 175.779 176.117 -0.139 0.000 0.999 342 I CA -0.462 60.767 61.300 -0.118 0.000 1.124 342 I CB 1.535 39.515 38.000 -0.032 0.000 1.289 342 I HN 0.475 nan 8.210 nan 0.000 0.441 343 C N 7.369 126.649 119.300 -0.034 0.000 2.411 343 C HA 0.904 5.368 4.460 0.007 0.000 0.330 343 C C -0.233 174.845 174.990 0.147 0.000 1.224 343 C CA -0.372 58.688 59.018 0.070 0.000 1.770 343 C CB 0.718 28.611 27.740 0.254 0.000 2.297 343 C HN 0.690 nan 8.230 nan 0.000 0.507 344 V N 3.129 123.104 119.914 0.102 0.000 2.823 344 V HA 0.654 4.778 4.120 0.007 0.000 0.312 344 V C -0.776 175.606 176.094 0.480 0.000 1.072 344 V CA -0.895 61.431 62.300 0.044 0.000 0.937 344 V CB 1.406 32.902 31.823 -0.545 0.000 1.013 344 V HN 1.082 nan 8.190 nan 0.000 0.430 345 W N 6.160 127.731 121.300 0.452 0.000 2.253 345 W HA 0.655 5.319 4.660 0.007 0.000 0.322 345 W C -0.181 176.670 176.519 0.552 0.000 1.342 345 W CA -0.046 57.619 57.345 0.533 0.000 1.218 345 W CB 0.665 30.368 29.460 0.405 0.000 1.205 345 W HN 0.860 nan 8.180 nan 0.000 0.551 346 I N 4.596 125.010 120.570 -0.259 0.000 3.042 346 I HA 0.667 4.841 4.170 0.007 0.000 0.310 346 I C -0.867 174.646 176.117 -1.006 0.000 1.117 346 I CA -1.201 59.836 61.300 -0.438 0.000 1.003 346 I CB 2.263 40.303 38.000 0.067 0.000 1.228 346 I HN 0.600 nan 8.210 nan 0.000 0.443 347 N N 1.900 120.211 118.700 -0.648 0.000 2.934 347 N HA 0.524 5.268 4.740 0.007 0.000 0.253 347 N C -2.926 172.504 175.510 -0.132 0.000 1.466 347 N CA -1.738 51.095 53.050 -0.362 0.000 0.858 347 N CB 1.601 39.809 38.487 -0.465 0.000 1.459 347 N HN 0.440 nan 8.380 nan 0.000 0.532 348 P HA 0.285 nan 4.420 nan 0.000 0.254 348 P C -1.133 176.289 177.300 0.204 0.000 1.620 348 P CA 0.205 63.170 63.100 -0.225 0.000 1.050 348 P CB -0.332 30.958 31.700 -0.683 0.000 1.539 349 Y N -0.047 120.432 120.300 0.299 0.000 2.598 349 Y HA 0.626 5.180 4.550 0.007 0.000 0.340 349 Y C 0.340 176.412 175.900 0.286 0.000 1.038 349 Y CA -2.451 55.787 58.100 0.231 0.000 1.100 349 Y CB 1.460 40.067 38.460 0.246 0.000 1.281 349 Y HN -0.227 nan 8.280 nan 0.000 0.488 350 I N 0.684 121.451 120.570 0.329 0.000 2.571 350 I HA 0.665 4.839 4.170 0.007 0.000 0.289 350 I C -0.138 176.177 176.117 0.330 0.000 1.115 350 I CA -0.566 60.915 61.300 0.302 0.000 1.045 350 I CB 1.607 39.693 38.000 0.143 0.000 1.238 350 I HN 0.764 nan 8.210 nan 0.000 0.424 351 G N 4.466 113.420 108.800 0.257 0.000 2.442 351 G HA2 0.091 4.055 3.960 0.007 0.000 0.249 351 G HA3 0.091 4.055 3.960 0.007 0.000 0.249 351 G C 0.326 175.205 174.900 -0.035 0.000 1.263 351 G CA -0.217 44.944 45.100 0.102 0.000 0.846 351 G HN 0.853 nan 8.290 nan 0.000 0.555 352 Q N 1.212 120.772 119.800 -0.401 0.000 2.234 352 Q HA -0.162 4.182 4.340 0.007 0.000 0.206 352 Q C 2.234 177.903 176.000 -0.552 0.000 0.980 352 Q CA 1.615 56.755 55.803 -1.104 0.000 0.869 352 Q CB -0.059 28.071 28.738 -1.014 0.000 0.912 352 Q HN 0.717 nan 8.270 nan 0.000 0.436 353 K N 0.299 120.537 120.400 -0.270 0.000 2.209 353 K HA -0.078 4.246 4.320 0.007 0.000 0.204 353 K C 0.610 177.186 176.600 -0.040 0.000 1.048 353 K CA 0.758 56.961 56.287 -0.140 0.000 0.940 353 K CB -0.097 32.358 32.500 -0.074 0.000 0.729 353 K HN 0.051 nan 8.250 nan 0.000 0.451 354 S N 0.969 116.681 115.700 0.020 0.000 2.549 354 S HA 0.098 4.572 4.470 0.007 0.000 0.283 354 S C -1.831 172.857 174.600 0.146 0.000 1.320 354 S CA -1.486 56.781 58.200 0.112 0.000 1.058 354 S CB 0.975 64.285 63.200 0.183 0.000 0.882 354 S HN 0.095 nan 8.310 nan 0.000 0.498 355 P HA -0.035 nan 4.420 nan 0.000 0.222 355 P C 1.264 178.678 177.300 0.190 0.000 1.147 355 P CA 0.465 63.653 63.100 0.145 0.000 0.790 355 P CB 0.039 31.817 31.700 0.130 0.000 0.780 356 V N -1.346 118.713 119.914 0.242 0.000 2.871 356 V HA -0.157 3.967 4.120 0.007 0.000 0.256 356 V C 2.034 178.251 176.094 0.206 0.000 1.082 356 V CA 0.973 63.442 62.300 0.281 0.000 1.105 356 V CB -1.211 30.866 31.823 0.423 0.000 0.713 356 V HN -0.004 nan 8.190 nan 0.000 0.473 357 F N 1.330 121.310 119.950 0.050 0.000 2.095 357 F HA -0.228 4.303 4.527 0.007 0.000 0.298 357 F C 2.434 178.204 175.800 -0.049 0.000 1.104 357 F CA 2.274 60.262 58.000 -0.020 0.000 1.232 357 F CB -0.192 38.798 39.000 -0.016 0.000 0.987 357 F HN -0.019 nan 8.300 nan 0.000 0.475 358 K N 0.366 120.917 120.400 0.253 0.000 2.032 358 K HA -0.289 4.035 4.320 0.007 0.000 0.209 358 K C 2.266 178.846 176.600 -0.033 0.000 1.048 358 K CA 1.911 58.269 56.287 0.117 0.000 0.927 358 K CB -0.452 32.119 32.500 0.117 0.000 0.712 358 K HN 0.468 nan 8.250 nan 0.000 0.441 359 E N 0.597 120.787 120.200 -0.017 0.000 2.097 359 E HA -0.227 4.127 4.350 0.007 0.000 0.196 359 E C 2.043 178.482 176.600 -0.268 0.000 1.000 359 E CA 1.364 57.717 56.400 -0.078 0.000 0.804 359 E CB -0.063 29.663 29.700 0.042 0.000 0.740 359 E HN 0.305 nan 8.360 nan 0.000 0.454 360 L N 0.447 121.464 121.223 -0.342 0.000 2.072 360 L HA -0.148 4.196 4.340 0.007 0.000 0.205 360 L C 2.934 179.525 176.870 -0.464 0.000 1.079 360 L CA 1.259 55.794 54.840 -0.509 0.000 0.752 360 L CB -0.513 41.227 42.059 -0.532 0.000 0.906 360 L HN 0.235 nan 8.230 nan 0.000 0.436 361 Q N 0.734 120.267 119.800 -0.445 0.000 2.050 361 Q HA -0.248 4.096 4.340 0.007 0.000 0.202 361 Q C 1.987 177.850 176.000 -0.229 0.000 0.980 361 Q CA 1.888 57.485 55.803 -0.343 0.000 0.840 361 Q CB 0.009 28.564 28.738 -0.304 0.000 0.898 361 Q HN 0.545 nan 8.270 nan 0.000 0.424 362 E N 0.238 120.317 120.200 -0.201 0.000 2.110 362 E HA -0.171 4.183 4.350 0.007 0.000 0.193 362 E C 1.897 178.369 176.600 -0.213 0.000 0.988 362 E CA 1.028 57.334 56.400 -0.155 0.000 0.804 362 E CB 0.058 29.692 29.700 -0.110 0.000 0.745 362 E HN 0.286 nan 8.360 nan 0.000 0.458 363 K N -0.500 119.669 120.400 -0.384 0.000 2.366 363 K HA 0.018 4.342 4.320 0.007 0.000 0.198 363 K C 0.912 177.263 176.600 -0.415 0.000 1.044 363 K CA 0.516 56.457 56.287 -0.577 0.000 0.973 363 K CB 0.418 32.141 32.500 -1.296 0.000 0.767 363 K HN 0.238 nan 8.250 nan 0.000 0.475 364 G N 0.802 109.444 108.800 -0.263 0.000 2.171 364 G HA2 -0.230 3.734 3.960 0.007 0.000 0.238 364 G HA3 -0.230 3.734 3.960 0.007 0.000 0.238 364 G C 0.121 175.085 174.900 0.108 0.000 1.039 364 G CA -0.120 44.952 45.100 -0.046 0.000 0.759 364 G HN 0.220 nan 8.290 nan 0.000 0.501 365 Y N -0.591 119.607 120.300 -0.169 0.000 2.482 365 Y HA 0.417 4.971 4.550 0.007 0.000 0.270 365 Y C 1.785 177.584 175.900 -0.168 0.000 1.152 365 Y CA -0.448 57.553 58.100 -0.165 0.000 1.292 365 Y CB 0.097 38.424 38.460 -0.222 0.000 1.070 365 Y HN 0.342 nan 8.280 nan 0.000 0.528 366 L N 0.207 121.382 121.223 -0.081 0.000 2.334 366 L HA 0.310 4.654 4.340 0.007 0.000 0.275 366 L C -0.267 176.525 176.870 -0.129 0.000 1.036 366 L CA -1.310 53.423 54.840 -0.179 0.000 0.807 366 L CB 1.271 43.137 42.059 -0.322 0.000 1.231 366 L HN -0.176 nan 8.230 nan 0.000 0.438 367 L N 3.001 124.115 121.223 -0.181 0.000 2.540 367 L HA 0.049 4.393 4.340 0.007 0.000 0.276 367 L C -0.195 176.568 176.870 -0.178 0.000 1.212 367 L CA 0.869 55.535 54.840 -0.290 0.000 0.893 367 L CB -0.190 41.541 42.059 -0.548 0.000 1.138 367 L HN 0.471 nan 8.230 nan 0.000 0.491 368 K N 5.104 125.397 120.400 -0.179 0.000 2.208 368 K HA 0.507 4.831 4.320 0.007 0.000 0.247 368 K C -0.302 176.253 176.600 -0.075 0.000 0.953 368 K CA -0.926 55.315 56.287 -0.077 0.000 0.837 368 K CB 1.588 34.063 32.500 -0.042 0.000 1.131 368 K HN 0.570 nan 8.250 nan 0.000 0.431 369 R N 1.325 121.828 120.500 0.006 0.000 2.679 369 R HA 0.042 4.386 4.340 0.007 0.000 0.269 369 R C -1.706 174.589 176.300 -0.008 0.000 1.076 369 R CA -1.496 54.615 56.100 0.018 0.000 1.160 369 R CB -0.079 30.248 30.300 0.044 0.000 1.054 369 R HN 0.341 nan 8.270 nan 0.000 0.507 370 P HA -0.197 nan 4.420 nan 0.000 0.218 370 P C 0.267 177.569 177.300 0.003 0.000 1.146 370 P CA 1.370 64.471 63.100 0.001 0.000 0.813 370 P CB 0.056 31.763 31.700 0.011 0.000 0.778 371 D N -2.020 118.383 120.400 0.005 0.000 2.363 371 D HA 0.044 4.688 4.640 0.007 0.000 0.226 371 D C 1.480 177.780 176.300 0.001 0.000 1.020 371 D CA 0.797 54.798 54.000 0.003 0.000 0.892 371 D CB -0.930 39.872 40.800 0.003 0.000 0.900 371 D HN 0.248 nan 8.370 nan 0.000 0.531 372 G N -0.012 108.788 108.800 -0.000 0.000 2.217 372 G HA2 -0.294 3.670 3.960 0.007 0.000 0.246 372 G HA3 -0.294 3.670 3.960 0.007 0.000 0.246 372 G C 0.477 175.374 174.900 -0.005 0.000 0.990 372 G CA 0.433 45.533 45.100 -0.000 0.000 0.627 372 G HN 0.859 nan 8.290 nan 0.000 0.522 373 S N 0.385 116.081 115.700 -0.007 0.000 2.600 373 S HA 0.682 5.156 4.470 0.007 0.000 0.265 373 S C 0.623 175.216 174.600 -0.012 0.000 1.325 373 S CA -0.682 57.511 58.200 -0.011 0.000 1.002 373 S CB 1.165 64.356 63.200 -0.015 0.000 0.921 373 S HN 0.703 nan 8.310 nan 0.000 0.554 374 L N 1.115 122.329 121.223 -0.015 0.000 2.416 374 L HA 0.212 4.556 4.340 0.007 0.000 0.272 374 L C 0.100 176.973 176.870 0.004 0.000 1.161 374 L CA -0.563 54.272 54.840 -0.008 0.000 0.845 374 L CB 0.231 42.289 42.059 -0.002 0.000 1.119 374 L HN 0.834 nan 8.230 nan 0.000 0.464 375 W N 4.856 126.068 121.300 -0.146 0.000 2.368 375 W HA 0.194 4.858 4.660 0.007 0.000 0.316 375 W C -0.268 176.164 176.519 -0.144 0.000 1.375 375 W CA 0.081 57.322 57.345 -0.173 0.000 1.261 375 W CB 0.323 29.619 29.460 -0.273 0.000 1.298 375 W HN 0.458 nan 8.180 nan 0.000 0.539 376 Q N 5.555 124.832 119.800 -0.872 0.000 2.456 376 Q HA 0.427 4.771 4.340 0.007 0.000 0.284 376 Q C -0.917 174.480 176.000 -1.007 0.000 1.061 376 Q CA -0.913 54.459 55.803 -0.718 0.000 0.799 376 Q CB 2.506 31.102 28.738 -0.238 0.000 1.445 376 Q HN 0.556 nan 8.270 nan 0.000 0.411 377 W N -0.011 120.847 121.300 -0.736 0.000 3.018 377 W HA 0.507 5.171 4.660 0.007 0.000 0.382 377 W C -1.019 175.384 176.519 -0.193 0.000 1.161 377 W CA -0.915 56.175 57.345 -0.424 0.000 1.144 377 W CB -0.098 29.158 29.460 -0.340 0.000 1.499 377 W HN 0.488 nan 8.180 nan 0.000 0.596 378 D N 0.303 120.705 120.400 0.005 0.000 2.431 378 D HA 0.124 4.768 4.640 0.007 0.000 0.213 378 D C -0.215 175.947 176.300 -0.230 0.000 1.130 378 D CA 0.092 54.026 54.000 -0.109 0.000 0.834 378 D CB 0.611 41.338 40.800 -0.122 0.000 0.985 378 D HN 0.141 nan 8.370 nan 0.000 0.504 379 K N 0.270 120.304 120.400 -0.610 0.000 2.237 379 K HA 0.037 4.361 4.320 0.007 0.000 0.270 379 K C 0.685 177.335 176.600 0.083 0.000 1.015 379 K CA -0.464 55.559 56.287 -0.441 0.000 0.949 379 K CB 1.684 33.591 32.500 -0.989 0.000 0.976 379 K HN 0.081 nan 8.250 nan 0.000 0.472 380 W N 0.222 121.543 121.300 0.036 0.000 1.154 380 W HA -0.372 4.292 4.660 0.007 0.000 0.250 380 W C -0.712 175.890 176.519 0.138 0.000 1.366 380 W CA 1.686 59.135 57.345 0.174 0.000 1.730 380 W CB -0.512 29.070 29.460 0.203 0.000 1.429 380 W HN 0.559 nan 8.180 nan 0.000 0.454 381 Q N 0.606 120.447 119.800 0.068 0.000 2.413 381 Q HA 0.448 4.792 4.340 0.007 0.000 0.276 381 Q C -2.295 173.688 176.000 -0.028 0.000 1.099 381 Q CA -1.822 53.940 55.803 -0.069 0.000 0.814 381 Q CB 1.369 30.105 28.738 -0.003 0.000 1.379 381 Q HN -0.089 nan 8.270 nan 0.000 0.436 382 P HA 0.073 nan 4.420 nan 0.000 0.271 382 P C 0.393 177.600 177.300 -0.156 0.000 1.220 382 P CA 0.569 63.556 63.100 -0.189 0.000 0.768 382 P CB 0.330 31.813 31.700 -0.362 0.000 0.848 383 G N 2.852 111.576 108.800 -0.126 0.000 2.283 383 G HA2 -0.290 3.674 3.960 0.007 0.000 0.280 383 G HA3 -0.290 3.674 3.960 0.007 0.000 0.280 383 G C 0.014 174.902 174.900 -0.020 0.000 1.029 383 G CA -0.143 44.877 45.100 -0.134 0.000 0.840 383 G HN 0.620 nan 8.290 nan 0.000 0.505 384 L N 0.064 121.353 121.223 0.109 0.000 2.540 384 L HA 0.518 4.862 4.340 0.007 0.000 0.276 384 L C 0.709 177.733 176.870 0.257 0.000 1.212 384 L CA 0.473 55.459 54.840 0.243 0.000 0.893 384 L CB 0.470 42.747 42.059 0.364 0.000 1.138 384 L HN 0.584 nan 8.230 nan 0.000 0.491 385 A N 6.248 129.248 122.820 0.300 0.000 2.350 385 A HA 0.788 5.112 4.320 0.007 0.000 0.318 385 A C -0.797 176.832 177.584 0.074 0.000 1.132 385 A CA -0.750 51.402 52.037 0.192 0.000 0.811 385 A CB 1.101 20.143 19.000 0.071 0.000 1.313 385 A HN 0.706 nan 8.150 nan 0.000 0.454 386 I N 0.537 121.089 120.570 -0.029 0.000 2.404 386 I HA 0.262 4.436 4.170 0.007 0.000 0.293 386 I C -1.126 174.879 176.117 -0.188 0.000 0.992 386 I CA -0.483 60.776 61.300 -0.068 0.000 1.149 386 I CB 1.507 39.374 38.000 -0.221 0.000 1.315 386 I HN 0.632 nan 8.210 nan 0.000 0.446 387 Y N 3.544 123.748 120.300 -0.160 0.000 2.544 387 Y HA -0.024 4.530 4.550 0.007 0.000 0.330 387 Y C 0.695 176.335 175.900 -0.432 0.000 1.136 387 Y CA 0.133 58.010 58.100 -0.372 0.000 1.417 387 Y CB 0.168 38.204 38.460 -0.708 0.000 1.229 387 Y HN 0.430 nan 8.280 nan 0.000 0.532 388 D N 4.371 124.740 120.400 -0.052 0.000 2.422 388 D HA 0.050 4.694 4.640 0.007 0.000 0.227 388 D C -0.021 176.409 176.300 0.216 0.000 1.190 388 D CA 0.113 54.210 54.000 0.162 0.000 0.905 388 D CB -0.167 40.725 40.800 0.154 0.000 1.034 388 D HN 0.543 nan 8.370 nan 0.000 0.507 389 F N 1.176 121.317 119.950 0.319 0.000 2.811 389 F HA -0.044 4.487 4.527 0.007 0.000 0.301 389 F C 2.360 178.189 175.800 0.048 0.000 1.151 389 F CA 0.156 58.184 58.000 0.048 0.000 1.412 389 F CB 0.356 39.244 39.000 -0.187 0.000 1.113 389 F HN 0.344 nan 8.300 nan 0.000 0.579 390 T N -3.406 111.353 114.554 0.341 0.000 3.100 390 T HA -0.032 4.322 4.350 0.007 0.000 0.253 390 T C 0.705 175.563 174.700 0.264 0.000 1.118 390 T CA -0.122 62.149 62.100 0.284 0.000 1.058 390 T CB -0.297 68.778 68.868 0.344 0.000 0.953 390 T HN -0.021 nan 8.240 nan 0.000 0.515 391 N N 2.741 121.492 118.700 0.084 0.000 2.420 391 N HA 0.240 4.984 4.740 0.007 0.000 0.249 391 N C -1.900 173.451 175.510 -0.264 0.000 1.033 391 N CA -2.331 50.462 53.050 -0.428 0.000 0.944 391 N CB 1.910 40.047 38.487 -0.582 0.000 1.113 391 N HN 0.006 nan 8.380 nan 0.000 0.502 392 P HA -0.100 nan 4.420 nan 0.000 0.218 392 P C 0.425 177.631 177.300 -0.155 0.000 1.148 392 P CA 1.161 64.202 63.100 -0.097 0.000 0.822 392 P CB 0.514 32.204 31.700 -0.017 0.000 0.784 393 D N -0.490 119.748 120.400 -0.270 0.000 2.149 393 D HA -0.042 4.602 4.640 0.007 0.000 0.201 393 D C 2.067 177.971 176.300 -0.661 0.000 0.972 393 D CA 1.299 55.104 54.000 -0.325 0.000 0.835 393 D CB -0.560 40.126 40.800 -0.190 0.000 0.966 393 D HN 0.067 nan 8.370 nan 0.000 0.476 394 A N 0.799 123.110 122.820 -0.847 0.000 1.908 394 A HA -0.206 4.118 4.320 0.007 0.000 0.218 394 A C 2.579 180.163 177.584 0.001 0.000 1.181 394 A CA 1.357 53.030 52.037 -0.606 0.000 0.627 394 A CB -1.033 17.814 19.000 -0.255 0.000 0.818 394 A HN 0.325 nan 8.150 nan 0.000 0.445 395 C N -0.748 118.576 119.300 0.039 0.000 2.393 395 C HA -0.127 4.337 4.460 0.007 0.000 0.276 395 C C 2.722 177.742 174.990 0.050 0.000 1.215 395 C CA 1.450 60.506 59.018 0.064 0.000 1.743 395 C CB -1.012 26.705 27.740 -0.039 0.000 2.044 395 C HN 0.693 nan 8.230 nan 0.000 0.464 396 K N -0.916 119.487 120.400 0.005 0.000 2.032 396 K HA -0.242 4.082 4.320 0.007 0.000 0.209 396 K C 2.021 178.670 176.600 0.083 0.000 1.048 396 K CA 2.028 58.324 56.287 0.017 0.000 0.927 396 K CB -0.373 32.132 32.500 0.008 0.000 0.712 396 K HN 0.730 nan 8.250 nan 0.000 0.441 397 W N 0.401 121.670 121.300 -0.052 0.000 2.335 397 W HA -0.300 4.364 4.660 0.007 0.000 0.311 397 W C 2.067 178.611 176.519 0.043 0.000 1.213 397 W CA 1.955 59.329 57.345 0.049 0.000 1.274 397 W CB -0.515 29.044 29.460 0.166 0.000 1.148 397 W HN 0.191 nan 8.180 nan 0.000 0.498 398 Y N 0.742 121.251 120.300 0.349 0.000 2.145 398 Y HA -0.213 4.341 4.550 0.007 0.000 0.286 398 Y C 2.410 178.143 175.900 -0.278 0.000 1.145 398 Y CA 2.759 60.915 58.100 0.095 0.000 1.148 398 Y CB -0.914 37.659 38.460 0.188 0.000 0.981 398 Y HN 0.002 nan 8.280 nan 0.000 0.507 399 A N 0.020 122.832 122.820 -0.015 0.000 1.908 399 A HA -0.215 4.109 4.320 0.007 0.000 0.218 399 A C 1.908 179.329 177.584 -0.271 0.000 1.181 399 A CA 2.069 54.011 52.037 -0.157 0.000 0.627 399 A CB -0.799 18.139 19.000 -0.104 0.000 0.818 399 A HN 0.536 nan 8.150 nan 0.000 0.445 400 D N -0.179 120.061 120.400 -0.266 0.000 2.144 400 D HA -0.107 4.537 4.640 0.007 0.000 0.200 400 D C 1.845 177.884 176.300 -0.434 0.000 0.978 400 D CA 0.969 54.794 54.000 -0.293 0.000 0.833 400 D CB -0.175 40.479 40.800 -0.244 0.000 0.961 400 D HN 0.218 nan 8.370 nan 0.000 0.470 401 K N 0.627 120.609 120.400 -0.697 0.000 2.063 401 K HA -0.072 4.252 4.320 0.007 0.000 0.208 401 K C 2.373 178.492 176.600 -0.802 0.000 1.048 401 K CA 0.441 56.185 56.287 -0.904 0.000 0.928 401 K CB -0.623 30.946 32.500 -1.552 0.000 0.713 401 K HN 0.271 nan 8.250 nan 0.000 0.442 402 L N 0.848 121.576 121.223 -0.826 0.000 2.093 402 L HA -0.145 4.199 4.340 0.007 0.000 0.208 402 L C 2.392 179.147 176.870 -0.192 0.000 1.085 402 L CA 1.167 55.653 54.840 -0.591 0.000 0.755 402 L CB -0.321 41.324 42.059 -0.691 0.000 0.904 402 L HN 0.144 nan 8.230 nan 0.000 0.435 403 K N 0.173 120.451 120.400 -0.202 0.000 2.103 403 K HA -0.139 4.185 4.320 0.007 0.000 0.207 403 K C 2.164 178.716 176.600 -0.080 0.000 1.048 403 K CA 1.317 57.542 56.287 -0.103 0.000 0.930 403 K CB -0.540 31.890 32.500 -0.118 0.000 0.716 403 K HN 0.411 nan 8.250 nan 0.000 0.444 404 G N 1.655 110.379 108.800 -0.128 0.000 2.469 404 G HA2 -0.253 3.711 3.960 0.007 0.000 0.219 404 G HA3 -0.253 3.711 3.960 0.007 0.000 0.219 404 G C 1.480 176.377 174.900 -0.004 0.000 1.150 404 G CA 0.816 45.870 45.100 -0.077 0.000 0.763 404 G HN 0.126 nan 8.290 nan 0.000 0.561 405 L N 0.042 121.285 121.223 0.033 0.000 2.109 405 L HA -0.014 4.330 4.340 0.007 0.000 0.207 405 L C 2.970 179.879 176.870 0.065 0.000 1.086 405 L CA 0.164 55.075 54.840 0.119 0.000 0.760 405 L CB -0.389 41.819 42.059 0.248 0.000 0.910 405 L HN 0.083 nan 8.230 nan 0.000 0.437 406 V N 0.341 120.303 119.914 0.079 0.000 2.295 406 V HA -0.280 3.845 4.120 0.007 0.000 0.246 406 V C 2.721 178.790 176.094 -0.042 0.000 1.049 406 V CA 1.840 64.138 62.300 -0.003 0.000 1.024 406 V CB -0.923 30.910 31.823 0.017 0.000 0.648 406 V HN 0.482 nan 8.190 nan 0.000 0.447 407 A N -1.261 121.539 122.820 -0.033 0.000 2.125 407 A HA -0.148 4.176 4.320 0.007 0.000 0.219 407 A C 2.149 179.700 177.584 -0.055 0.000 1.156 407 A CA 1.666 53.676 52.037 -0.046 0.000 0.671 407 A CB -0.534 18.441 19.000 -0.042 0.000 0.794 407 A HN 0.518 nan 8.150 nan 0.000 0.459 408 M N -1.803 117.767 119.600 -0.051 0.000 2.556 408 M HA 0.142 4.626 4.480 0.007 0.000 0.245 408 M C 1.312 177.547 176.300 -0.109 0.000 1.128 408 M CA 0.931 56.186 55.300 -0.076 0.000 1.069 408 M CB 0.313 32.883 32.600 -0.051 0.000 1.469 408 M HN 0.634 nan 8.290 nan 0.000 0.494 409 G N 0.219 108.955 108.800 -0.107 0.000 2.179 409 G HA2 -0.184 3.780 3.960 0.007 0.000 0.220 409 G HA3 -0.184 3.780 3.960 0.007 0.000 0.220 409 G C -0.004 174.797 174.900 -0.164 0.000 0.990 409 G CA -0.158 44.861 45.100 -0.136 0.000 0.646 409 G HN 0.261 nan 8.290 nan 0.000 0.517 410 V N 1.878 121.694 119.914 -0.164 0.000 2.540 410 V HA 0.166 4.290 4.120 0.007 0.000 0.297 410 V C 1.217 177.131 176.094 -0.299 0.000 1.024 410 V CA 0.966 63.121 62.300 -0.242 0.000 1.105 410 V CB 1.146 32.800 31.823 -0.283 0.000 0.938 410 V HN 0.343 nan 8.190 nan 0.000 0.482 411 D N 2.476 122.686 120.400 -0.317 0.000 2.301 411 D HA 0.109 4.753 4.640 0.007 0.000 0.206 411 D C 0.507 176.674 176.300 -0.221 0.000 0.979 411 D CA 0.945 54.784 54.000 -0.268 0.000 0.874 411 D CB 0.631 41.214 40.800 -0.362 0.000 0.968 411 D HN 0.772 nan 8.370 nan 0.000 0.510 412 C N -1.439 117.640 119.300 -0.368 0.000 3.306 412 C HA 0.720 5.184 4.460 0.007 0.000 0.335 412 C C -1.448 173.220 174.990 -0.536 0.000 1.382 412 C CA -1.436 57.405 59.018 -0.295 0.000 1.254 412 C CB 0.604 28.455 27.740 0.185 0.000 1.555 412 C HN -0.032 nan 8.230 nan 0.000 0.463 413 F N 0.738 120.782 119.950 0.156 0.000 2.532 413 F HA 0.608 5.139 4.527 0.007 0.000 0.321 413 F C 0.297 176.183 175.800 0.144 0.000 1.089 413 F CA -0.630 57.454 58.000 0.140 0.000 0.926 413 F CB 1.683 40.738 39.000 0.092 0.000 1.168 413 F HN 0.729 nan 8.300 nan 0.000 0.459 414 K N 2.014 122.613 120.400 0.331 0.000 2.273 414 K HA 0.193 4.517 4.320 0.007 0.000 0.287 414 K C -0.287 176.376 176.600 0.105 0.000 1.089 414 K CA -0.271 56.105 56.287 0.149 0.000 0.909 414 K CB 0.426 32.935 32.500 0.016 0.000 1.123 414 K HN 0.754 nan 8.250 nan 0.000 0.473 415 T N 1.185 115.797 114.554 0.097 0.000 3.414 415 T HA 0.078 4.432 4.350 0.007 0.000 0.304 415 T C 0.008 174.782 174.700 0.123 0.000 1.241 415 T CA -0.899 61.209 62.100 0.013 0.000 1.076 415 T CB 0.140 68.816 68.868 -0.321 0.000 1.134 415 T HN 0.408 nan 8.240 nan 0.000 0.759 416 D N 1.362 121.829 120.400 0.112 0.000 2.358 416 D HA 0.454 5.098 4.640 0.007 0.000 0.244 416 D C 0.589 177.039 176.300 0.249 0.000 1.163 416 D CA -0.647 53.463 54.000 0.183 0.000 0.945 416 D CB 0.132 41.075 40.800 0.239 0.000 1.152 416 D HN 0.437 nan 8.370 nan 0.000 0.451 417 F N -0.328 119.620 119.950 -0.004 0.000 2.180 417 F HA -0.147 4.384 4.527 0.007 0.000 0.317 417 F C 1.746 177.604 175.800 0.096 0.000 0.129 417 F CA 1.265 59.251 58.000 -0.022 0.000 0.910 417 F CB -1.354 37.500 39.000 -0.242 0.000 4.124 417 F HN 0.583 nan 8.300 nan 0.000 0.145 418 G N -0.993 107.996 108.800 0.315 0.000 2.184 418 G HA2 -0.176 3.788 3.960 0.007 0.000 0.206 418 G HA3 -0.176 3.788 3.960 0.007 0.000 0.206 418 G C 0.667 175.734 174.900 0.279 0.000 0.995 418 G CA 0.615 45.926 45.100 0.351 0.000 0.651 418 G HN 1.066 nan 8.290 nan 0.000 0.511 419 E N 0.636 120.994 120.200 0.262 0.000 2.127 419 E HA 0.081 4.435 4.350 0.007 0.000 0.191 419 E C 1.406 178.004 176.600 -0.003 0.000 0.964 419 E CA 0.050 56.510 56.400 0.100 0.000 0.832 419 E CB -0.147 29.651 29.700 0.164 0.000 0.790 419 E HN 0.443 nan 8.360 nan 0.000 0.465 420 R N 1.587 122.209 120.500 0.204 0.000 4.138 420 R HA 0.262 4.606 4.340 0.007 0.000 0.206 420 R C -0.361 175.886 176.300 -0.089 0.000 1.667 420 R CA -0.208 56.011 56.100 0.197 0.000 1.481 420 R CB 0.046 30.618 30.300 0.454 0.000 1.388 420 R HN 0.110 nan 8.270 nan 0.000 0.776 421 I N 3.995 124.426 120.570 -0.230 0.000 2.312 421 I HA 0.223 4.397 4.170 0.007 0.000 0.291 421 I C -1.703 174.305 176.117 -0.182 0.000 1.031 421 I CA -3.100 57.983 61.300 -0.362 0.000 1.293 421 I CB 0.757 38.525 38.000 -0.386 0.000 1.403 421 I HN 0.097 nan 8.210 nan 0.000 0.484 422 P HA 0.190 nan 4.420 nan 0.000 0.274 422 P C 0.451 177.657 177.300 -0.157 0.000 1.237 422 P CA -0.097 62.758 63.100 -0.408 0.000 0.793 422 P CB 0.925 32.001 31.700 -1.040 0.000 0.977 423 T N -3.975 110.597 114.554 0.029 0.000 3.023 423 T HA 0.022 4.376 4.350 0.007 0.000 0.253 423 T C 0.499 175.231 174.700 0.054 0.000 1.038 423 T CA -0.078 62.095 62.100 0.122 0.000 0.962 423 T CB -0.517 68.485 68.868 0.223 0.000 1.018 423 T HN 0.402 nan 8.240 nan 0.000 0.521 424 D N 2.874 123.282 120.400 0.013 0.000 2.896 424 D HA 0.330 4.974 4.640 0.007 0.000 0.240 424 D C 0.334 176.632 176.300 -0.004 0.000 1.193 424 D CA -0.515 53.511 54.000 0.044 0.000 0.983 424 D CB 0.021 40.885 40.800 0.106 0.000 1.074 424 D HN 0.470 nan 8.370 nan 0.000 0.496 425 V N -3.179 116.683 119.914 -0.087 0.000 3.202 425 V HA 0.585 4.709 4.120 0.007 0.000 0.306 425 V C -1.254 174.733 176.094 -0.178 0.000 1.283 425 V CA -1.206 60.970 62.300 -0.206 0.000 1.065 425 V CB 1.971 33.479 31.823 -0.525 0.000 1.079 425 V HN 0.197 nan 8.190 nan 0.000 0.448 426 Q N 0.336 120.004 119.800 -0.220 0.000 2.309 426 Q HA 0.447 4.791 4.340 0.007 0.000 0.270 426 Q C -1.894 174.019 176.000 -0.145 0.000 1.023 426 Q CA -0.480 55.262 55.803 -0.102 0.000 0.758 426 Q CB 1.790 30.515 28.738 -0.022 0.000 1.247 426 Q HN 0.798 nan 8.270 nan 0.000 0.455 427 W N 3.051 124.383 121.300 0.054 0.000 2.202 427 W HA 0.146 4.810 4.660 0.007 0.000 0.332 427 W C 1.107 177.710 176.519 0.139 0.000 1.263 427 W CA -0.508 56.898 57.345 0.102 0.000 1.223 427 W CB 0.388 29.914 29.460 0.109 0.000 1.128 427 W HN 0.745 nan 8.180 nan 0.000 0.573 428 F N 2.563 122.682 119.950 0.281 0.000 2.120 428 F HA -0.345 4.186 4.527 0.007 0.000 0.300 428 F C 2.196 178.104 175.800 0.180 0.000 1.095 428 F CA 2.412 60.525 58.000 0.187 0.000 1.249 428 F CB -0.112 38.997 39.000 0.181 0.000 0.995 428 F HN 0.394 nan 8.300 nan 0.000 0.480 429 D N -0.741 119.869 120.400 0.350 0.000 2.340 429 D HA 0.088 4.732 4.640 0.007 0.000 0.220 429 D C 1.714 178.079 176.300 0.108 0.000 1.039 429 D CA 0.807 54.914 54.000 0.180 0.000 0.866 429 D CB -0.687 40.257 40.800 0.240 0.000 0.913 429 D HN 0.453 nan 8.370 nan 0.000 0.523 430 G N -0.061 108.827 108.800 0.146 0.000 2.153 430 G HA2 -0.307 3.658 3.960 0.007 0.000 0.252 430 G HA3 -0.307 3.658 3.960 0.007 0.000 0.252 430 G C 0.355 175.336 174.900 0.135 0.000 0.994 430 G CA 0.364 45.537 45.100 0.123 0.000 0.698 430 G HN 0.443 nan 8.290 nan 0.000 0.521 431 S N 0.303 116.095 115.700 0.153 0.000 2.558 431 S HA 0.250 4.724 4.470 0.007 0.000 0.287 431 S C 0.555 175.224 174.600 0.116 0.000 1.321 431 S CA 0.199 58.431 58.200 0.053 0.000 1.048 431 S CB 0.790 63.921 63.200 -0.114 0.000 0.844 431 S HN 0.469 nan 8.310 nan 0.000 0.512 432 D N 2.729 123.160 120.400 0.052 0.000 2.389 432 D HA 0.091 4.735 4.640 0.007 0.000 0.263 432 D C -1.575 174.812 176.300 0.146 0.000 1.255 432 D CA -1.772 52.286 54.000 0.097 0.000 0.914 432 D CB 0.866 41.700 40.800 0.056 0.000 1.116 432 D HN 0.108 nan 8.370 nan 0.000 0.502 433 P HA -0.158 nan 4.420 nan 0.000 0.219 433 P C 1.185 178.679 177.300 0.322 0.000 1.146 433 P CA 0.950 64.290 63.100 0.399 0.000 0.808 433 P CB 0.279 32.192 31.700 0.355 0.000 0.779 434 Q N -0.312 119.647 119.800 0.265 0.000 2.167 434 Q HA -0.087 4.257 4.340 0.007 0.000 0.202 434 Q C 1.868 178.062 176.000 0.323 0.000 0.970 434 Q CA 1.319 57.321 55.803 0.332 0.000 0.855 434 Q CB -0.352 28.518 28.738 0.221 0.000 0.911 434 Q HN 0.414 nan 8.270 nan 0.000 0.438 435 K N -0.535 119.971 120.400 0.177 0.000 2.186 435 K HA 0.098 4.422 4.320 0.007 0.000 0.202 435 K C 1.932 178.574 176.600 0.070 0.000 1.052 435 K CA 0.290 56.630 56.287 0.088 0.000 0.965 435 K CB 0.132 32.607 32.500 -0.043 0.000 0.746 435 K HN 0.077 nan 8.250 nan 0.000 0.457 436 M N 0.176 119.792 119.600 0.028 0.000 2.374 436 M HA -0.112 4.372 4.480 0.007 0.000 0.264 436 M C 1.915 178.241 176.300 0.043 0.000 1.067 436 M CA 1.514 56.757 55.300 -0.095 0.000 1.103 436 M CB -0.829 31.468 32.600 -0.504 0.000 1.402 436 M HN 0.235 nan 8.290 nan 0.000 0.444 437 H N 0.980 120.052 119.070 0.003 0.000 2.290 437 H HA -0.136 4.424 4.556 0.007 0.000 0.298 437 H C 1.753 176.984 175.328 -0.161 0.000 1.087 437 H CA 2.413 58.357 56.048 -0.173 0.000 1.291 437 H CB 0.216 29.631 29.762 -0.579 0.000 1.369 437 H HN 0.305 nan 8.280 nan 0.000 0.492 438 N N -0.804 117.889 118.700 -0.012 0.000 2.251 438 N HA -0.120 4.624 4.740 0.007 0.000 0.181 438 N C 1.807 177.433 175.510 0.193 0.000 1.019 438 N CA 1.205 54.301 53.050 0.076 0.000 0.862 438 N CB -0.585 38.044 38.487 0.236 0.000 0.992 438 N HN 0.489 nan 8.380 nan 0.000 0.429 439 H N -0.248 118.890 119.070 0.113 0.000 2.491 439 H HA -0.052 4.508 4.556 0.007 0.000 0.290 439 H C 1.744 177.172 175.328 0.167 0.000 1.050 439 H CA 0.980 57.114 56.048 0.144 0.000 1.309 439 H CB -0.261 29.528 29.762 0.045 0.000 1.392 439 H HN 0.253 nan 8.280 nan 0.000 0.554 440 Y N 0.264 120.549 120.300 -0.025 0.000 2.165 440 Y HA -0.269 4.285 4.550 0.007 0.000 0.286 440 Y C 2.539 178.484 175.900 0.075 0.000 1.155 440 Y CA 1.788 59.867 58.100 -0.035 0.000 1.164 440 Y CB -0.639 37.804 38.460 -0.029 0.000 0.978 440 Y HN 0.305 nan 8.280 nan 0.000 0.513 441 A N -0.522 122.445 122.820 0.245 0.000 1.908 441 A HA -0.281 4.043 4.320 0.007 0.000 0.218 441 A C 2.118 179.762 177.584 0.100 0.000 1.181 441 A CA 1.821 54.000 52.037 0.236 0.000 0.627 441 A CB -1.594 17.536 19.000 0.217 0.000 0.818 441 A HN 0.735 nan 8.150 nan 0.000 0.445 442 Y N 0.488 120.751 120.300 -0.062 0.000 2.097 442 Y HA -0.218 4.336 4.550 0.007 0.000 0.282 442 Y C 2.100 177.859 175.900 -0.235 0.000 1.152 442 Y CA 1.926 59.964 58.100 -0.104 0.000 1.136 442 Y CB -0.105 38.239 38.460 -0.193 0.000 0.975 442 Y HN 0.241 nan 8.280 nan 0.000 0.498 443 I N -0.183 120.210 120.570 -0.295 0.000 2.315 443 I HA -0.312 3.862 4.170 0.007 0.000 0.248 443 I C 2.353 178.177 176.117 -0.488 0.000 1.117 443 I CA 1.664 62.745 61.300 -0.364 0.000 1.404 443 I CB -1.523 36.309 38.000 -0.281 0.000 1.071 443 I HN 0.444 nan 8.210 nan 0.000 0.419 444 Y N 2.174 122.115 120.300 -0.598 0.000 2.114 444 Y HA -0.249 4.305 4.550 0.007 0.000 0.284 444 Y C 2.548 178.122 175.900 -0.543 0.000 1.143 444 Y CA 1.679 59.396 58.100 -0.638 0.000 1.135 444 Y CB -0.158 38.087 38.460 -0.359 0.000 0.980 444 Y HN 0.155 nan 8.280 nan 0.000 0.499 445 N N 0.647 118.940 118.700 -0.679 0.000 2.188 445 N HA -0.225 4.519 4.740 0.007 0.000 0.184 445 N C 1.826 176.746 175.510 -0.983 0.000 1.018 445 N CA 1.544 54.150 53.050 -0.739 0.000 0.858 445 N CB -0.368 37.861 38.487 -0.430 0.000 0.989 445 N HN 0.601 nan 8.380 nan 0.000 0.426 446 E N 1.379 120.804 120.200 -1.292 0.000 2.097 446 E HA -0.183 4.171 4.350 0.007 0.000 0.196 446 E C 2.174 178.313 176.600 -0.769 0.000 1.000 446 E CA 0.757 56.253 56.400 -1.506 0.000 0.804 446 E CB -0.093 28.956 29.700 -1.086 0.000 0.740 446 E HN 0.289 nan 8.360 nan 0.000 0.454 447 L N 0.274 121.123 121.223 -0.624 0.000 2.027 447 L HA -0.143 4.201 4.340 0.007 0.000 0.206 447 L C 2.338 179.004 176.870 -0.341 0.000 1.074 447 L CA 1.004 55.560 54.840 -0.472 0.000 0.745 447 L CB -0.103 41.563 42.059 -0.654 0.000 0.898 447 L HN 0.075 nan 8.230 nan 0.000 0.433 448 V N -0.665 119.043 119.914 -0.343 0.000 2.358 448 V HA -0.310 3.814 4.120 0.007 0.000 0.246 448 V C 2.164 178.198 176.094 -0.100 0.000 1.047 448 V CA 2.118 64.300 62.300 -0.197 0.000 1.035 448 V CB -0.903 30.811 31.823 -0.182 0.000 0.658 448 V HN 0.698 nan 8.190 nan 0.000 0.452 449 W N 1.421 122.495 121.300 -0.377 0.000 2.335 449 W HA -0.237 4.427 4.660 0.007 0.000 0.311 449 W C 2.307 178.717 176.519 -0.182 0.000 1.213 449 W CA 2.130 59.306 57.345 -0.282 0.000 1.274 449 W CB -0.391 28.773 29.460 -0.495 0.000 1.148 449 W HN 0.345 nan 8.180 nan 0.000 0.498 450 N N 0.419 119.098 118.700 -0.035 0.000 2.223 450 N HA -0.159 4.585 4.740 0.007 0.000 0.185 450 N C 1.680 177.124 175.510 -0.110 0.000 1.016 450 N CA 1.624 54.637 53.050 -0.062 0.000 0.863 450 N CB -0.862 37.590 38.487 -0.060 0.000 0.983 450 N HN 0.046 nan 8.380 nan 0.000 0.429 451 V N 0.964 120.807 119.914 -0.118 0.000 2.295 451 V HA -0.187 3.937 4.120 0.007 0.000 0.246 451 V C 2.235 178.279 176.094 -0.084 0.000 1.049 451 V CA 1.104 63.347 62.300 -0.094 0.000 1.024 451 V CB -0.404 31.362 31.823 -0.096 0.000 0.648 451 V HN 0.165 nan 8.190 nan 0.000 0.447 452 L N -0.075 121.077 121.223 -0.118 0.000 1.989 452 L HA -0.188 4.156 4.340 0.007 0.000 0.211 452 L C 2.374 179.106 176.870 -0.230 0.000 1.071 452 L CA 1.911 56.644 54.840 -0.178 0.000 0.749 452 L CB -1.255 40.614 42.059 -0.317 0.000 0.890 452 L HN 0.292 nan 8.230 nan 0.000 0.431 453 K N -0.487 119.724 120.400 -0.316 0.000 2.089 453 K HA -0.217 4.107 4.320 0.007 0.000 0.210 453 K C 1.436 177.970 176.600 -0.111 0.000 1.048 453 K CA 1.865 58.021 56.287 -0.217 0.000 0.926 453 K CB -0.037 32.374 32.500 -0.148 0.000 0.714 453 K HN 0.338 nan 8.250 nan 0.000 0.448 454 D N -1.175 119.170 120.400 -0.092 0.000 2.355 454 D HA -0.054 4.590 4.640 0.007 0.000 0.218 454 D C 1.525 177.792 176.300 -0.055 0.000 1.004 454 D CA 1.214 55.179 54.000 -0.060 0.000 0.880 454 D CB 0.443 41.212 40.800 -0.053 0.000 0.911 454 D HN 0.473 nan 8.370 nan 0.000 0.528 455 T N -2.396 112.119 114.554 -0.064 0.000 3.238 455 T HA -0.003 4.351 4.350 0.007 0.000 0.242 455 T C 1.953 176.622 174.700 -0.053 0.000 0.980 455 T CA 0.612 62.680 62.100 -0.052 0.000 1.235 455 T CB -0.595 68.247 68.868 -0.043 0.000 1.069 455 T HN -0.017 nan 8.240 nan 0.000 0.407 456 V N -0.247 119.630 119.914 -0.062 0.000 3.406 456 V HA 0.601 4.725 4.120 0.007 0.000 0.263 456 V C 1.195 177.263 176.094 -0.043 0.000 1.172 456 V CA 0.206 62.476 62.300 -0.050 0.000 1.140 456 V CB -1.281 30.517 31.823 -0.041 0.000 0.784 456 V HN 1.215 nan 8.190 nan 0.000 0.467 457 G N 0.394 109.155 108.800 -0.065 0.000 2.788 457 G HA2 -0.173 3.791 3.960 0.007 0.000 0.686 457 G HA3 -0.173 3.791 3.960 0.007 0.000 0.686 457 G C 0.049 174.899 174.900 -0.084 0.000 1.147 457 G CA 0.177 45.245 45.100 -0.054 0.000 0.755 457 G HN 0.481 nan 8.290 nan 0.000 0.634 458 E N 0.455 120.616 120.200 -0.065 0.000 2.086 458 E HA -0.278 4.076 4.350 0.007 0.000 0.200 458 E C 2.186 178.768 176.600 -0.031 0.000 1.012 458 E CA 2.521 58.888 56.400 -0.056 0.000 0.812 458 E CB 0.031 29.756 29.700 0.042 0.000 0.743 458 E HN 0.677 nan 8.360 nan 0.000 0.453 459 E N 0.424 120.633 120.200 0.015 0.000 2.268 459 E HA -0.139 4.215 4.350 0.007 0.000 0.195 459 E C 1.415 178.036 176.600 0.035 0.000 0.995 459 E CA 0.837 57.268 56.400 0.051 0.000 0.836 459 E CB -0.038 29.706 29.700 0.073 0.000 0.763 459 E HN 0.268 nan 8.360 nan 0.000 0.491 460 E N 0.259 120.466 120.200 0.013 0.000 2.479 460 E HA 0.228 4.582 4.350 0.007 0.000 0.193 460 E C 0.092 176.674 176.600 -0.029 0.000 1.049 460 E CA 0.237 56.681 56.400 0.072 0.000 0.870 460 E CB 0.236 30.017 29.700 0.135 0.000 0.944 460 E HN 0.230 nan 8.360 nan 0.000 0.492 461 A N 1.173 123.852 122.820 -0.235 0.000 2.409 461 A HA 0.410 4.734 4.320 0.007 0.000 0.262 461 A C -0.070 177.278 177.584 -0.394 0.000 1.113 461 A CA -0.125 51.591 52.037 -0.534 0.000 0.790 461 A CB 0.754 18.982 19.000 -1.287 0.000 1.046 461 A HN 0.021 nan 8.150 nan 0.000 0.496 462 V N 3.717 123.513 119.914 -0.196 0.000 3.077 462 V HA 0.623 4.747 4.120 0.007 0.000 0.299 462 V C -1.157 175.041 176.094 0.174 0.000 1.276 462 V CA -0.536 61.792 62.300 0.047 0.000 0.993 462 V CB 2.021 33.801 31.823 -0.072 0.000 1.076 462 V HN 0.904 nan 8.190 nan 0.000 0.434 463 L N 3.709 125.050 121.223 0.197 0.000 2.303 463 L HA 0.662 5.006 4.340 0.007 0.000 0.256 463 L C -1.591 175.305 176.870 0.042 0.000 1.034 463 L CA -0.662 54.278 54.840 0.166 0.000 0.832 463 L CB 2.482 44.618 42.059 0.129 0.000 1.403 463 L HN 0.604 nan 8.230 nan 0.000 0.419 464 F N 1.173 121.043 119.950 -0.133 0.000 2.532 464 F HA 0.610 5.141 4.527 0.007 0.000 0.365 464 F C 0.097 175.905 175.800 0.014 0.000 1.112 464 F CA -0.476 57.379 58.000 -0.241 0.000 1.082 464 F CB 1.423 40.103 39.000 -0.533 0.000 1.319 464 F HN 0.355 nan 8.300 nan 0.000 0.457 465 A N 4.525 127.337 122.820 -0.014 0.000 2.317 465 A HA 0.567 4.891 4.320 0.007 0.000 0.327 465 A C 0.938 178.461 177.584 -0.102 0.000 1.178 465 A CA -0.580 51.425 52.037 -0.053 0.000 0.817 465 A CB 1.100 19.870 19.000 -0.383 0.000 1.189 465 A HN 0.880 nan 8.150 nan 0.000 0.489 466 R N 0.919 121.266 120.500 -0.254 0.000 2.128 466 R HA 0.064 4.408 4.340 0.007 0.000 0.211 466 R C 0.573 176.639 176.300 -0.391 0.000 1.067 466 R CA 1.351 56.973 56.100 -0.797 0.000 1.010 466 R CB 0.096 29.793 30.300 -1.005 0.000 0.922 466 R HN 0.834 nan 8.270 nan 0.000 0.457 467 S N -1.086 114.555 115.700 -0.098 0.000 2.689 467 S HA 0.880 5.354 4.470 0.007 0.000 0.306 467 S C -0.729 173.944 174.600 0.121 0.000 1.104 467 S CA -0.573 57.654 58.200 0.045 0.000 0.973 467 S CB 2.356 65.630 63.200 0.123 0.000 1.121 467 S HN 0.233 nan 8.310 nan 0.000 0.523 468 A N 0.013 122.906 122.820 0.122 0.000 2.566 468 A HA 0.890 5.214 4.320 0.007 0.000 0.290 468 A C -0.616 177.084 177.584 0.194 0.000 1.071 468 A CA -0.451 51.694 52.037 0.180 0.000 0.658 468 A CB 1.016 20.043 19.000 0.044 0.000 1.285 468 A HN 1.460 nan 8.150 nan 0.000 0.427 469 S N -1.116 114.749 115.700 0.275 0.000 2.615 469 S HA 0.573 5.047 4.470 0.007 0.000 0.269 469 S C -1.084 173.633 174.600 0.194 0.000 1.161 469 S CA -0.179 58.179 58.200 0.263 0.000 0.817 469 S CB 1.225 64.619 63.200 0.323 0.000 1.131 469 S HN 1.596 nan 8.310 nan 0.000 0.467 470 V N 2.798 122.698 119.914 -0.022 0.000 2.617 470 V HA 0.414 4.538 4.120 0.007 0.000 0.304 470 V C 1.775 177.700 176.094 -0.282 0.000 1.040 470 V CA 1.998 64.113 62.300 -0.310 0.000 1.149 470 V CB 0.044 31.291 31.823 -0.959 0.000 0.914 470 V HN 1.619 nan 8.190 nan 0.000 0.487 471 G N 4.189 112.792 108.800 -0.328 0.000 2.213 471 G HA2 -0.205 3.759 3.960 0.007 0.000 0.236 471 G HA3 -0.205 3.759 3.960 0.007 0.000 0.236 471 G C 0.921 175.713 174.900 -0.180 0.000 0.991 471 G CA 0.280 45.200 45.100 -0.299 0.000 0.629 471 G HN 1.358 nan 8.290 nan 0.000 0.517 472 A N 0.928 123.745 122.820 -0.004 0.000 2.167 472 A HA 0.205 4.529 4.320 0.007 0.000 0.214 472 A C 2.212 179.669 177.584 -0.212 0.000 1.151 472 A CA 1.963 54.027 52.037 0.046 0.000 0.735 472 A CB -0.333 18.908 19.000 0.403 0.000 0.802 472 A HN 0.922 nan 8.150 nan 0.000 0.467 473 Q N 0.761 120.114 119.800 -0.746 0.000 2.368 473 Q HA -0.171 4.173 4.340 0.007 0.000 0.210 473 Q C 1.094 176.743 176.000 -0.585 0.000 0.982 473 Q CA 1.640 56.911 55.803 -0.887 0.000 0.884 473 Q CB -0.500 27.386 28.738 -1.421 0.000 0.933 473 Q HN 0.633 nan 8.270 nan 0.000 0.460 474 K N 0.022 119.897 120.400 -0.876 0.000 2.442 474 K HA -0.003 4.321 4.320 0.007 0.000 0.198 474 K C -0.288 175.524 176.600 -1.313 0.000 1.042 474 K CA 0.472 56.114 56.287 -1.075 0.000 0.958 474 K CB 0.131 31.804 32.500 -1.378 0.000 0.766 474 K HN 0.171 nan 8.250 nan 0.000 0.474 475 F N 1.278 120.812 119.950 -0.693 0.000 2.530 475 F HA 0.282 4.813 4.527 0.007 0.000 0.318 475 F C -2.250 173.267 175.800 -0.471 0.000 1.356 475 F CA -3.586 53.781 58.000 -1.056 0.000 1.135 475 F CB 0.043 38.630 39.000 -0.688 0.000 1.315 475 F HN -0.148 nan 8.300 nan 0.000 0.549 476 P HA 0.192 nan 4.420 nan 0.000 0.274 476 P C -0.067 177.140 177.300 -0.155 0.000 1.260 476 P CA 0.028 63.118 63.100 -0.016 0.000 0.793 476 P CB 1.477 33.216 31.700 0.065 0.000 1.048 477 V N -1.610 118.139 119.914 -0.275 0.000 3.699 477 V HA -0.195 3.929 4.120 0.007 0.000 0.464 477 V C -0.507 175.183 176.094 -0.673 0.000 0.681 477 V CA 0.676 62.629 62.300 -0.579 0.000 1.940 477 V CB -2.768 28.441 31.823 -1.023 0.000 2.368 477 V HN 0.715 nan 8.190 nan 0.000 0.496 478 H N 3.145 122.041 119.070 -0.290 0.000 2.457 478 H HA 0.697 5.258 4.556 0.007 0.000 0.335 478 H C -0.005 175.154 175.328 -0.280 0.000 1.115 478 H CA 0.128 56.062 56.048 -0.190 0.000 1.219 478 H CB 1.303 31.031 29.762 -0.058 0.000 1.471 478 H HN 0.846 nan 8.280 nan 0.000 0.491 479 W N 1.996 123.054 121.300 -0.403 0.000 2.689 479 W HA 0.546 5.211 4.660 0.007 0.000 0.340 479 W C 0.266 176.696 176.519 -0.148 0.000 1.060 479 W CA -1.423 55.636 57.345 -0.477 0.000 1.218 479 W CB 1.100 30.324 29.460 -0.394 0.000 1.410 479 W HN 0.652 nan 8.180 nan 0.000 0.528 480 G N 2.145 110.876 108.800 -0.115 0.000 3.155 480 G HA2 0.364 4.328 3.960 0.007 0.000 0.213 480 G HA3 0.364 4.328 3.960 0.007 0.000 0.213 480 G C 0.731 175.608 174.900 -0.038 0.000 1.196 480 G CA 0.434 45.704 45.100 0.284 0.000 0.846 480 G HN 1.580 nan 8.290 nan 0.000 0.516 481 G N 0.459 108.773 108.800 -0.810 0.000 2.553 481 G HA2 -0.244 3.720 3.960 0.007 0.000 0.242 481 G HA3 -0.244 3.720 3.960 0.007 0.000 0.242 481 G C -0.546 174.294 174.900 -0.100 0.000 1.277 481 G CA -0.126 44.549 45.100 -0.708 0.000 0.910 481 G HN 0.226 nan 8.290 nan 0.000 0.576 482 D N 1.626 121.976 120.400 -0.084 0.000 2.563 482 D HA 0.426 5.070 4.640 0.007 0.000 0.222 482 D C 1.335 177.758 176.300 0.206 0.000 1.145 482 D CA 0.479 54.421 54.000 -0.097 0.000 1.001 482 D CB -0.712 39.988 40.800 -0.167 0.000 1.049 482 D HN 0.858 nan 8.370 nan 0.000 0.515 483 C N 0.240 119.711 119.300 0.284 0.000 2.480 483 C HA 0.575 5.039 4.460 0.007 0.000 0.344 483 C C 0.407 175.630 174.990 0.388 0.000 1.380 483 C CA -0.880 58.372 59.018 0.390 0.000 2.386 483 C CB -0.136 27.903 27.740 0.497 0.000 2.210 483 C HN 0.406 nan 8.230 nan 0.000 0.640 484 Y N -0.907 119.602 120.300 0.348 0.000 2.528 484 Y HA 0.535 5.089 4.550 0.007 0.000 0.335 484 Y C 0.766 176.878 175.900 0.354 0.000 1.093 484 Y CA -0.428 57.843 58.100 0.285 0.000 1.134 484 Y CB 1.584 40.176 38.460 0.221 0.000 1.253 484 Y HN 0.907 nan 8.280 nan 0.000 0.478 485 A N 3.038 126.069 122.820 0.351 0.000 3.063 485 A HA 0.308 4.633 4.320 0.007 0.000 0.263 485 A C -0.788 176.983 177.584 0.313 0.000 1.736 485 A CA -0.095 52.128 52.037 0.310 0.000 1.408 485 A CB -1.724 17.354 19.000 0.131 0.000 1.108 485 A HN 0.778 nan 8.150 nan 0.000 0.621 486 N N -2.633 116.307 118.700 0.400 0.000 2.825 486 N HA 0.377 5.121 4.740 0.007 0.000 0.253 486 N C -0.058 175.567 175.510 0.192 0.000 1.426 486 N CA -0.801 52.350 53.050 0.170 0.000 0.851 486 N CB 0.286 38.879 38.487 0.177 0.000 1.470 486 N HN -0.103 nan 8.380 nan 0.000 0.517 487 Y N -0.119 120.333 120.300 0.253 0.000 2.181 487 Y HA -0.069 4.485 4.550 0.007 0.000 0.288 487 Y C 1.718 177.719 175.900 0.168 0.000 1.146 487 Y CA 1.507 59.747 58.100 0.233 0.000 1.164 487 Y CB -0.510 38.114 38.460 0.274 0.000 0.982 487 Y HN 0.675 nan 8.280 nan 0.000 0.515 488 E N -0.795 119.573 120.200 0.280 0.000 2.077 488 E HA -0.168 4.186 4.350 0.007 0.000 0.193 488 E C 2.469 179.161 176.600 0.153 0.000 0.989 488 E CA 1.510 58.003 56.400 0.154 0.000 0.800 488 E CB -0.425 29.347 29.700 0.121 0.000 0.746 488 E HN 0.197 nan 8.360 nan 0.000 0.452 489 S N -0.552 115.281 115.700 0.221 0.000 2.436 489 S HA -0.017 4.458 4.470 0.007 0.000 0.228 489 S C 1.837 176.589 174.600 0.253 0.000 1.014 489 S CA 0.658 59.025 58.200 0.277 0.000 0.950 489 S CB -0.125 63.324 63.200 0.416 0.000 0.784 489 S HN 0.272 nan 8.310 nan 0.000 0.504 490 M N 0.998 120.611 119.600 0.023 0.000 2.117 490 M HA -0.057 4.427 4.480 0.007 0.000 0.262 490 M C 2.041 178.365 176.300 0.041 0.000 1.065 490 M CA 1.714 56.754 55.300 -0.435 0.000 1.114 490 M CB -0.397 31.713 32.600 -0.816 0.000 1.361 490 M HN 0.450 nan 8.290 nan 0.000 0.408 491 A N 0.809 123.707 122.820 0.129 0.000 1.898 491 A HA -0.203 4.121 4.320 0.007 0.000 0.216 491 A C 1.937 179.550 177.584 0.049 0.000 1.181 491 A CA 1.731 53.750 52.037 -0.029 0.000 0.620 491 A CB -0.934 17.851 19.000 -0.358 0.000 0.819 491 A HN 0.780 nan 8.150 nan 0.000 0.442 492 E N -0.030 120.245 120.200 0.125 0.000 2.106 492 E HA -0.136 4.218 4.350 0.007 0.000 0.192 492 E C 1.888 178.716 176.600 0.379 0.000 0.984 492 E CA 1.540 58.068 56.400 0.213 0.000 0.806 492 E CB -0.424 29.396 29.700 0.200 0.000 0.750 492 E HN 0.433 nan 8.360 nan 0.000 0.458 493 S N 1.288 117.237 115.700 0.415 0.000 2.356 493 S HA -0.146 4.329 4.470 0.007 0.000 0.223 493 S C 1.892 176.814 174.600 0.538 0.000 1.032 493 S CA 1.165 59.745 58.200 0.634 0.000 1.005 493 S CB -0.444 63.175 63.200 0.698 0.000 0.867 493 S HN 0.259 nan 8.310 nan 0.000 0.449 494 L N 2.518 123.964 121.223 0.373 0.000 2.013 494 L HA -0.146 4.198 4.340 0.007 0.000 0.212 494 L C 2.233 179.085 176.870 -0.029 0.000 1.073 494 L CA 1.748 56.690 54.840 0.170 0.000 0.753 494 L CB -0.582 41.480 42.059 0.005 0.000 0.890 494 L HN 0.169 nan 8.230 nan 0.000 0.432 495 R N -0.633 119.881 120.500 0.024 0.000 2.091 495 R HA -0.143 4.201 4.340 0.007 0.000 0.238 495 R C 2.218 178.417 176.300 -0.167 0.000 1.136 495 R CA 1.289 57.364 56.100 -0.042 0.000 0.959 495 R CB -1.160 29.150 30.300 0.016 0.000 0.856 495 R HN 0.602 nan 8.270 nan 0.000 0.437 496 G N 0.525 109.248 108.800 -0.129 0.000 2.433 496 G HA2 -0.238 3.726 3.960 0.007 0.000 0.216 496 G HA3 -0.238 3.726 3.960 0.007 0.000 0.216 496 G C 1.565 176.028 174.900 -0.728 0.000 1.186 496 G CA 0.877 45.728 45.100 -0.415 0.000 0.779 496 G HN 0.456 nan 8.290 nan 0.000 0.543 497 G N 1.013 109.055 108.800 -1.263 0.000 2.476 497 G HA2 -0.221 3.743 3.960 0.007 0.000 0.218 497 G HA3 -0.221 3.743 3.960 0.007 0.000 0.218 497 G C 1.834 176.179 174.900 -0.925 0.000 1.164 497 G CA 0.942 44.760 45.100 -2.137 0.000 0.768 497 G HN 0.421 nan 8.290 nan 0.000 0.560 498 L N 0.636 121.531 121.223 -0.546 0.000 2.012 498 L HA -0.125 4.219 4.340 0.007 0.000 0.210 498 L C 3.234 179.939 176.870 -0.275 0.000 1.073 498 L CA 1.491 56.149 54.840 -0.303 0.000 0.748 498 L CB -0.540 41.422 42.059 -0.161 0.000 0.891 498 L HN 0.205 nan 8.230 nan 0.000 0.431 499 S N -0.085 115.433 115.700 -0.304 0.000 2.368 499 S HA -0.156 4.318 4.470 0.007 0.000 0.225 499 S C 1.980 176.427 174.600 -0.255 0.000 1.030 499 S CA 1.136 59.190 58.200 -0.244 0.000 0.999 499 S CB -0.260 62.778 63.200 -0.271 0.000 0.844 499 S HN 0.319 nan 8.310 nan 0.000 0.459 500 I N 1.471 121.817 120.570 -0.373 0.000 2.361 500 I HA -0.164 4.010 4.170 0.007 0.000 0.251 500 I C 2.276 178.323 176.117 -0.117 0.000 1.133 500 I CA 1.188 62.294 61.300 -0.322 0.000 1.413 500 I CB -0.530 37.170 38.000 -0.499 0.000 1.073 500 I HN 0.398 nan 8.210 nan 0.000 0.424 501 G N 0.482 109.179 108.800 -0.171 0.000 2.421 501 G HA2 -0.168 3.796 3.960 0.007 0.000 0.217 501 G HA3 -0.168 3.796 3.960 0.007 0.000 0.217 501 G C 1.510 176.363 174.900 -0.078 0.000 1.143 501 G CA 0.192 45.230 45.100 -0.103 0.000 0.784 501 G HN 0.377 nan 8.290 nan 0.000 0.541 502 L N 1.151 122.318 121.223 -0.093 0.000 2.610 502 L HA 0.117 4.461 4.340 0.007 0.000 0.232 502 L C 1.594 178.479 176.870 0.026 0.000 1.149 502 L CA 0.378 55.183 54.840 -0.058 0.000 0.872 502 L CB 0.402 42.414 42.059 -0.079 0.000 0.992 502 L HN 0.075 nan 8.230 nan 0.000 0.447 503 S N -0.720 115.004 115.700 0.039 0.000 2.663 503 S HA 0.403 4.877 4.470 0.007 0.000 0.243 503 S C 1.208 175.844 174.600 0.060 0.000 1.009 503 S CA 0.356 58.620 58.200 0.108 0.000 0.988 503 S CB 1.052 64.322 63.200 0.117 0.000 0.896 503 S HN 0.496 nan 8.310 nan 0.000 0.502 504 G N 1.158 109.958 108.800 -0.001 0.000 2.184 504 G HA2 -0.206 3.758 3.960 0.007 0.000 0.206 504 G HA3 -0.206 3.758 3.960 0.007 0.000 0.206 504 G C -0.182 174.555 174.900 -0.271 0.000 0.995 504 G CA -0.703 44.338 45.100 -0.098 0.000 0.651 504 G HN 0.438 nan 8.290 nan 0.000 0.511 505 F N 0.767 120.612 119.950 -0.175 0.000 2.420 505 F HA 0.579 5.110 4.527 0.007 0.000 0.342 505 F C 1.549 177.219 175.800 -0.217 0.000 1.113 505 F CA 0.188 58.071 58.000 -0.196 0.000 1.059 505 F CB 2.044 40.903 39.000 -0.235 0.000 1.128 505 F HN -0.000 nan 8.300 nan 0.000 0.475 506 G N 2.614 111.319 108.800 -0.159 0.000 2.539 506 G HA2 0.082 4.046 3.960 0.007 0.000 0.215 506 G HA3 0.082 4.046 3.960 0.007 0.000 0.215 506 G C -0.266 174.140 174.900 -0.823 0.000 1.141 506 G CA 0.369 45.093 45.100 -0.628 0.000 0.806 506 G HN 0.364 nan 8.290 nan 0.000 0.533 507 F N -1.851 118.190 119.950 0.152 0.000 2.569 507 F HA 0.632 5.163 4.527 0.007 0.000 0.312 507 F C -1.143 174.764 175.800 0.178 0.000 1.109 507 F CA -1.528 56.559 58.000 0.144 0.000 0.919 507 F CB 1.956 40.932 39.000 -0.039 0.000 1.211 507 F HN 0.031 nan 8.300 nan 0.000 0.446 508 W N 2.594 123.965 121.300 0.119 0.000 3.624 508 W HA 0.643 5.307 4.660 0.007 0.000 0.312 508 W C -1.439 175.102 176.519 0.038 0.000 1.203 508 W CA -0.585 56.778 57.345 0.031 0.000 1.225 508 W CB 1.955 31.441 29.460 0.042 0.000 1.321 508 W HN 0.529 nan 8.180 nan 0.000 0.506 509 S N 2.620 117.809 115.700 -0.852 0.000 2.715 509 S HA 0.860 5.334 4.470 0.007 0.000 0.307 509 S C -1.314 172.603 174.600 -1.139 0.000 1.119 509 S CA -0.374 57.317 58.200 -0.847 0.000 0.937 509 S CB 1.025 63.893 63.200 -0.553 0.000 1.150 509 S HN 0.667 nan 8.310 nan 0.000 0.521 510 H N -1.006 117.691 119.070 -0.621 0.000 3.064 510 H HA 0.491 5.051 4.556 0.007 0.000 0.352 510 H C -2.039 173.255 175.328 -0.056 0.000 1.260 510 H CA -0.978 54.903 56.048 -0.278 0.000 1.160 510 H CB -0.005 29.601 29.762 -0.259 0.000 1.879 510 H HN 0.276 nan 8.280 nan 0.000 0.544 511 D N 2.229 122.713 120.400 0.140 0.000 2.342 511 D HA 0.145 4.789 4.640 0.007 0.000 0.260 511 D C 0.306 176.356 176.300 -0.417 0.000 1.278 511 D CA 0.049 54.011 54.000 -0.063 0.000 0.910 511 D CB 0.324 41.180 40.800 0.092 0.000 1.079 511 D HN 0.437 nan 8.370 nan 0.000 0.496 512 I N 1.636 121.930 120.570 -0.460 0.000 2.662 512 I HA 0.070 4.244 4.170 0.007 0.000 0.285 512 I C 1.686 177.332 176.117 -0.785 0.000 1.161 512 I CA 0.581 61.471 61.300 -0.684 0.000 1.415 512 I CB 0.319 38.100 38.000 -0.365 0.000 1.385 512 I HN 0.662 nan 8.210 nan 0.000 0.552 513 G N 3.949 112.035 108.800 -1.190 0.000 2.195 513 G HA2 -0.049 3.915 3.960 0.007 0.000 0.246 513 G HA3 -0.049 3.915 3.960 0.007 0.000 0.246 513 G C 0.555 175.013 174.900 -0.736 0.000 0.984 513 G CA -0.123 44.623 45.100 -0.591 0.000 0.633 513 G HN 1.595 nan 8.290 nan 0.000 0.525 514 G N -1.719 106.258 108.800 -1.372 0.000 2.721 514 G HA2 0.174 4.138 3.960 0.007 0.000 0.686 514 G HA3 0.174 4.138 3.960 0.007 0.000 0.686 514 G C 0.186 174.952 174.900 -0.224 0.000 1.236 514 G CA 0.199 44.894 45.100 -0.675 0.000 0.786 514 G HN 1.521 nan 8.290 nan 0.000 0.616 515 F N 1.292 121.134 119.950 -0.180 0.000 2.104 515 F HA 0.401 4.932 4.527 0.007 0.000 0.288 515 F C 1.400 177.096 175.800 -0.173 0.000 1.107 515 F CA 1.520 59.433 58.000 -0.145 0.000 1.208 515 F CB 0.198 39.183 39.000 -0.025 0.000 1.033 515 F HN 0.597 nan 8.300 nan 0.000 0.478 516 E N 1.844 121.835 120.200 -0.347 0.000 2.227 516 E HA 0.284 4.638 4.350 0.007 0.000 0.282 516 E C -0.839 175.547 176.600 -0.356 0.000 1.015 516 E CA -0.140 55.908 56.400 -0.588 0.000 0.823 516 E CB 0.289 29.438 29.700 -0.918 0.000 1.081 516 E HN 0.512 nan 8.360 nan 0.000 0.396 517 N N 1.267 119.825 118.700 -0.237 0.000 6.084 517 N HA -0.125 4.619 4.740 0.007 0.000 0.397 517 N C -1.332 174.134 175.510 -0.074 0.000 1.184 517 N CA 0.600 53.604 53.050 -0.077 0.000 2.157 517 N CB -0.435 38.095 38.487 0.071 0.000 0.675 517 N HN 0.438 nan 8.380 nan 0.000 0.568 518 T N 0.908 115.442 114.554 -0.032 0.000 2.756 518 T HA 0.587 4.941 4.350 0.007 0.000 0.290 518 T C 0.191 174.932 174.700 0.069 0.000 0.985 518 T CA -0.192 61.898 62.100 -0.015 0.000 0.955 518 T CB 1.171 69.975 68.868 -0.106 0.000 0.930 518 T HN 0.638 nan 8.240 nan 0.000 0.451 519 A N 5.833 128.757 122.820 0.175 0.000 2.483 519 A HA 0.497 4.821 4.320 0.007 0.000 0.238 519 A C -2.070 175.595 177.584 0.135 0.000 1.070 519 A CA -1.039 51.086 52.037 0.148 0.000 0.770 519 A CB -0.390 18.710 19.000 0.168 0.000 1.008 519 A HN 0.482 nan 8.150 nan 0.000 0.497 520 P HA 0.199 nan 4.420 nan 0.000 0.270 520 P C 0.901 178.190 177.300 -0.018 0.000 1.223 520 P CA 0.544 63.623 63.100 -0.035 0.000 0.785 520 P CB 0.599 32.187 31.700 -0.187 0.000 0.923 521 A N 2.412 125.289 122.820 0.095 0.000 1.917 521 A HA -0.273 4.051 4.320 0.007 0.000 0.219 521 A C 1.929 179.523 177.584 0.016 0.000 1.182 521 A CA 2.385 54.486 52.037 0.106 0.000 0.633 521 A CB -1.984 17.070 19.000 0.090 0.000 0.819 521 A HN 0.844 nan 8.150 nan 0.000 0.448 522 H N -1.855 117.251 119.070 0.060 0.000 2.387 522 H HA -0.026 4.534 4.556 0.007 0.000 0.299 522 H C 1.622 177.138 175.328 0.313 0.000 1.099 522 H CA 1.392 57.518 56.048 0.130 0.000 1.315 522 H CB -0.757 29.276 29.762 0.451 0.000 1.380 522 H HN 0.139 nan 8.280 nan 0.000 0.513 523 V N 0.637 120.480 119.914 -0.118 0.000 2.307 523 V HA -0.267 3.857 4.120 0.007 0.000 0.245 523 V C 2.327 178.547 176.094 0.210 0.000 1.045 523 V CA 1.963 64.241 62.300 -0.036 0.000 1.024 523 V CB -0.899 30.720 31.823 -0.340 0.000 0.651 523 V HN 0.465 nan 8.190 nan 0.000 0.449 524 Y N 1.297 121.568 120.300 -0.049 0.000 2.128 524 Y HA -0.319 4.235 4.550 0.007 0.000 0.284 524 Y C 2.526 178.419 175.900 -0.012 0.000 1.154 524 Y CA 2.216 60.214 58.100 -0.169 0.000 1.149 524 Y CB -0.203 37.833 38.460 -0.706 0.000 0.976 524 Y HN 0.135 nan 8.280 nan 0.000 0.505 525 K N -0.269 120.187 120.400 0.093 0.000 2.009 525 K HA -0.189 4.135 4.320 0.007 0.000 0.210 525 K C 2.109 178.846 176.600 0.229 0.000 1.049 525 K CA 1.667 58.016 56.287 0.104 0.000 0.929 525 K CB -0.123 32.331 32.500 -0.077 0.000 0.714 525 K HN 0.099 nan 8.250 nan 0.000 0.440 526 R N -0.132 120.589 120.500 0.367 0.000 2.105 526 R HA -0.162 4.182 4.340 0.007 0.000 0.239 526 R C 1.969 178.401 176.300 0.220 0.000 1.135 526 R CA 1.084 57.369 56.100 0.308 0.000 0.967 526 R CB -0.718 29.826 30.300 0.406 0.000 0.861 526 R HN 0.467 nan 8.270 nan 0.000 0.442 527 W N 0.496 121.844 121.300 0.082 0.000 2.476 527 W HA -0.088 4.576 4.660 0.007 0.000 0.281 527 W C 1.968 178.468 176.519 -0.031 0.000 1.230 527 W CA -0.114 57.298 57.345 0.110 0.000 1.287 527 W CB -0.530 28.970 29.460 0.066 0.000 1.108 527 W HN 0.040 nan 8.180 nan 0.000 0.567 528 C N 0.352 119.670 119.300 0.030 0.000 2.413 528 C HA -0.160 4.304 4.460 0.007 0.000 0.276 528 C C 3.079 178.011 174.990 -0.096 0.000 1.236 528 C CA 1.879 60.830 59.018 -0.112 0.000 1.735 528 C CB -1.529 26.091 27.740 -0.200 0.000 2.031 528 C HN 0.350 nan 8.230 nan 0.000 0.474 529 A N -0.185 122.479 122.820 -0.260 0.000 1.902 529 A HA -0.163 4.162 4.320 0.007 0.000 0.217 529 A C 1.949 179.427 177.584 -0.176 0.000 1.181 529 A CA 1.642 53.211 52.037 -0.779 0.000 0.623 529 A CB -0.806 17.618 19.000 -0.961 0.000 0.818 529 A HN 0.530 nan 8.150 nan 0.000 0.443 530 F N 1.465 121.368 119.950 -0.077 0.000 2.102 530 F HA -0.033 4.498 4.527 0.007 0.000 0.298 530 F C 2.255 178.249 175.800 0.324 0.000 1.105 530 F CA 1.358 59.434 58.000 0.127 0.000 1.239 530 F CB -1.087 37.937 39.000 0.040 0.000 0.991 530 F HN 0.170 nan 8.300 nan 0.000 0.474 531 G N 0.948 109.821 108.800 0.121 0.000 2.418 531 G HA2 -0.191 3.773 3.960 0.007 0.000 0.217 531 G HA3 -0.191 3.773 3.960 0.007 0.000 0.217 531 G C 1.599 176.488 174.900 -0.018 0.000 1.158 531 G CA 0.774 45.817 45.100 -0.096 0.000 0.771 531 G HN 0.363 nan 8.290 nan 0.000 0.545 532 L N -0.005 121.259 121.223 0.069 0.000 2.478 532 L HA 0.286 4.631 4.340 0.007 0.000 0.223 532 L C 1.870 178.864 176.870 0.207 0.000 1.140 532 L CA 0.782 55.708 54.840 0.143 0.000 0.842 532 L CB -0.453 41.731 42.059 0.208 0.000 0.953 532 L HN 0.236 nan 8.230 nan 0.000 0.452 533 L N -1.020 120.349 121.223 0.244 0.000 2.984 533 L HA 0.175 4.519 4.340 0.007 0.000 0.246 533 L C 0.255 177.388 176.870 0.437 0.000 1.268 533 L CA -0.076 54.970 54.840 0.344 0.000 1.054 533 L CB 0.127 42.401 42.059 0.358 0.000 1.393 533 L HN 0.031 nan 8.230 nan 0.000 0.532 534 S N -1.501 114.380 115.700 0.302 0.000 2.648 534 S HA 0.206 4.680 4.470 0.007 0.000 0.305 534 S C 1.122 175.871 174.600 0.248 0.000 1.094 534 S CA -0.203 58.168 58.200 0.285 0.000 0.983 534 S CB 1.997 65.303 63.200 0.177 0.000 1.101 534 S HN 0.332 nan 8.310 nan 0.000 0.514 535 S N 0.852 116.737 115.700 0.308 0.000 2.374 535 S HA -0.178 4.296 4.470 0.007 0.000 0.227 535 S C 0.168 174.768 174.600 0.001 0.000 1.037 535 S CA 1.365 59.785 58.200 0.366 0.000 1.024 535 S CB -0.498 63.074 63.200 0.620 0.000 0.861 535 S HN 0.773 nan 8.310 nan 0.000 0.456 536 H N -0.041 119.024 119.070 -0.008 0.000 2.667 536 H HA 0.674 5.234 4.556 0.007 0.000 0.353 536 H C -1.169 174.037 175.328 -0.203 0.000 1.072 536 H CA -0.429 55.517 56.048 -0.170 0.000 1.214 536 H CB 2.069 31.601 29.762 -0.385 0.000 1.600 536 H HN 0.133 nan 8.280 nan 0.000 0.527 537 S N 3.215 118.887 115.700 -0.047 0.000 2.640 537 S HA 0.480 4.954 4.470 0.007 0.000 0.320 537 S C -0.427 174.150 174.600 -0.038 0.000 1.097 537 S CA -0.822 57.336 58.200 -0.069 0.000 1.092 537 S CB 0.937 64.167 63.200 0.050 0.000 0.988 537 S HN 0.530 nan 8.310 nan 0.000 0.470 538 R N 3.173 123.566 120.500 -0.177 0.000 2.532 538 R HA 0.487 4.831 4.340 0.007 0.000 0.297 538 R C -1.615 174.582 176.300 -0.172 0.000 0.984 538 R CA -0.665 55.329 56.100 -0.176 0.000 0.884 538 R CB 0.867 30.903 30.300 -0.440 0.000 1.182 538 R HN 0.565 nan 8.270 nan 0.000 0.442 539 L N 4.701 125.870 121.223 -0.090 0.000 2.261 539 L HA 0.363 4.707 4.340 0.007 0.000 0.289 539 L C -0.649 176.212 176.870 -0.015 0.000 1.059 539 L CA -0.341 54.457 54.840 -0.069 0.000 0.816 539 L CB 0.674 42.717 42.059 -0.027 0.000 1.191 539 L HN 0.615 nan 8.230 nan 0.000 0.431 540 H N 2.388 121.380 119.070 -0.131 0.000 3.029 540 H HA 0.702 5.262 4.556 0.007 0.000 0.358 540 H C -0.716 174.632 175.328 0.032 0.000 1.129 540 H CA -0.447 55.561 56.048 -0.066 0.000 1.230 540 H CB 1.920 31.594 29.762 -0.147 0.000 1.827 540 H HN 0.545 nan 8.280 nan 0.000 0.530 541 G N 1.481 109.992 108.800 -0.482 0.000 2.680 541 G HA2 0.371 4.335 3.960 0.007 0.000 0.290 541 G HA3 0.371 4.335 3.960 0.007 0.000 0.290 541 G C -0.058 174.470 174.900 -0.620 0.000 1.355 541 G CA -0.058 44.776 45.100 -0.444 0.000 0.903 541 G HN 0.618 nan 8.290 nan 0.000 0.474 542 S N -0.622 114.530 115.700 -0.913 0.000 2.317 542 S HA 0.033 4.507 4.470 0.007 0.000 0.212 542 S C 1.751 176.182 174.600 -0.282 0.000 1.030 542 S CA 1.346 59.054 58.200 -0.820 0.000 0.970 542 S CB -0.188 62.249 63.200 -1.272 0.000 0.928 542 S HN 0.480 nan 8.310 nan 0.000 0.451 543 K N 0.660 120.868 120.400 -0.321 0.000 2.402 543 K HA 0.266 4.590 4.320 0.007 0.000 0.204 543 K C -0.252 176.160 176.600 -0.313 0.000 1.056 543 K CA -0.097 56.036 56.287 -0.256 0.000 1.069 543 K CB 1.154 33.532 32.500 -0.203 0.000 0.888 543 K HN 0.389 nan 8.250 nan 0.000 0.546 544 S N -0.656 114.841 115.700 -0.338 0.000 2.595 544 S HA 0.470 4.944 4.470 0.007 0.000 0.281 544 S C -0.713 173.682 174.600 -0.342 0.000 1.117 544 S CA -1.020 56.944 58.200 -0.393 0.000 0.873 544 S CB 0.678 63.699 63.200 -0.298 0.000 1.108 544 S HN -0.012 nan 8.310 nan 0.000 0.477 545 Y N 0.824 121.044 120.300 -0.135 0.000 2.357 545 Y HA 0.464 5.018 4.550 0.007 0.000 0.340 545 Y C 1.786 177.560 175.900 -0.210 0.000 1.260 545 Y CA -0.823 57.174 58.100 -0.173 0.000 1.425 545 Y CB 0.535 38.856 38.460 -0.232 0.000 1.326 545 Y HN 0.565 nan 8.280 nan 0.000 0.580 546 R N 0.686 121.161 120.500 -0.042 0.000 2.543 546 R HA 0.176 4.520 4.340 0.007 0.000 0.323 546 R C -0.734 175.484 176.300 -0.137 0.000 1.002 546 R CA -0.124 55.992 56.100 0.025 0.000 1.106 546 R CB -0.407 29.920 30.300 0.045 0.000 1.280 546 R HN 0.534 nan 8.270 nan 0.000 0.549 547 V N 0.577 120.173 119.914 -0.530 0.000 2.673 547 V HA 0.091 4.215 4.120 0.007 0.000 0.303 547 V C -1.253 174.448 176.094 -0.654 0.000 1.046 547 V CA -1.097 60.669 62.300 -0.891 0.000 1.126 547 V CB 0.568 31.210 31.823 -1.969 0.000 0.934 547 V HN -0.036 nan 8.190 nan 0.000 0.487 548 P HA -0.084 nan 4.420 nan 0.000 0.220 548 P C 1.276 178.586 177.300 0.018 0.000 1.148 548 P CA 1.689 64.763 63.100 -0.043 0.000 0.803 548 P CB -0.170 31.687 31.700 0.261 0.000 0.782 549 W N -0.202 121.106 121.300 0.013 0.000 2.848 549 W HA 0.365 5.029 4.660 0.007 0.000 0.241 549 W C 1.552 178.041 176.519 -0.050 0.000 1.289 549 W CA 0.442 57.784 57.345 -0.006 0.000 1.396 549 W CB -1.561 27.895 29.460 -0.007 0.000 1.138 549 W HN -0.112 nan 8.180 nan 0.000 0.677 550 A N -0.478 122.159 122.820 -0.305 0.000 2.169 550 A HA 0.052 4.376 4.320 0.007 0.000 0.212 550 A C 1.278 178.564 177.584 -0.497 0.000 1.153 550 A CA 0.821 52.624 52.037 -0.389 0.000 0.756 550 A CB -0.602 18.056 19.000 -0.570 0.000 0.813 550 A HN 0.471 nan 8.150 nan 0.000 0.471 551 Y N 0.190 120.320 120.300 -0.282 0.000 2.333 551 Y HA 0.272 4.826 4.550 0.007 0.000 0.287 551 Y C 0.680 176.519 175.900 -0.103 0.000 1.149 551 Y CA 0.426 58.375 58.100 -0.252 0.000 1.193 551 Y CB 0.310 38.491 38.460 -0.465 0.000 1.175 551 Y HN 0.503 nan 8.280 nan 0.000 0.518 552 D N -3.006 117.462 120.400 0.113 0.000 2.738 552 D HA 0.071 4.716 4.640 0.007 0.000 0.308 552 D C -0.238 176.136 176.300 0.124 0.000 1.311 552 D CA -0.393 53.666 54.000 0.098 0.000 0.799 552 D CB 0.173 41.020 40.800 0.078 0.000 1.332 552 D HN -0.145 nan 8.370 nan 0.000 0.441 553 D N -0.140 120.325 120.400 0.109 0.000 2.097 553 D HA -0.140 4.504 4.640 0.007 0.000 0.195 553 D C 1.441 177.815 176.300 0.123 0.000 0.989 553 D CA 1.474 55.542 54.000 0.114 0.000 0.827 553 D CB 0.029 40.882 40.800 0.088 0.000 0.966 553 D HN 0.656 nan 8.370 nan 0.000 0.456 554 E N 0.336 120.601 120.200 0.108 0.000 2.204 554 E HA -0.123 4.231 4.350 0.007 0.000 0.195 554 E C 1.811 178.493 176.600 0.138 0.000 0.990 554 E CA 0.770 57.238 56.400 0.113 0.000 0.821 554 E CB 0.167 29.922 29.700 0.092 0.000 0.750 554 E HN 0.023 nan 8.360 nan 0.000 0.477 555 S N -0.132 115.655 115.700 0.146 0.000 2.383 555 S HA -0.185 4.289 4.470 0.007 0.000 0.229 555 S C 2.015 176.774 174.600 0.264 0.000 1.030 555 S CA 1.131 59.466 58.200 0.226 0.000 1.002 555 S CB -0.292 63.043 63.200 0.225 0.000 0.829 555 S HN 0.482 nan 8.310 nan 0.000 0.467 556 C N 1.882 121.323 119.300 0.236 0.000 2.435 556 C HA -0.033 4.431 4.460 0.007 0.000 0.279 556 C C 2.342 177.457 174.990 0.208 0.000 1.321 556 C CA 0.165 59.330 59.018 0.245 0.000 1.752 556 C CB -1.171 26.711 27.740 0.236 0.000 1.959 556 C HN 0.549 nan 8.230 nan 0.000 0.500 557 D N 0.823 121.332 120.400 0.182 0.000 2.149 557 D HA -0.073 4.571 4.640 0.007 0.000 0.201 557 D C 2.209 178.635 176.300 0.211 0.000 0.972 557 D CA 0.924 55.025 54.000 0.168 0.000 0.835 557 D CB -0.415 40.465 40.800 0.133 0.000 0.966 557 D HN 0.296 nan 8.370 nan 0.000 0.476 558 V N 0.927 120.989 119.914 0.248 0.000 2.261 558 V HA -0.211 3.913 4.120 0.007 0.000 0.246 558 V C 2.723 179.065 176.094 0.413 0.000 1.047 558 V CA 1.085 63.598 62.300 0.355 0.000 1.015 558 V CB -0.522 31.509 31.823 0.346 0.000 0.642 558 V HN 0.043 nan 8.190 nan 0.000 0.446 559 V N 0.024 120.123 119.914 0.308 0.000 2.287 559 V HA -0.320 3.804 4.120 0.007 0.000 0.248 559 V C 2.568 178.814 176.094 0.254 0.000 1.053 559 V CA 2.574 65.034 62.300 0.267 0.000 1.027 559 V CB -0.816 31.141 31.823 0.223 0.000 0.646 559 V HN 0.502 nan 8.190 nan 0.000 0.447 560 R N -0.741 119.890 120.500 0.218 0.000 2.080 560 R HA -0.219 4.125 4.340 0.007 0.000 0.236 560 R C 2.325 178.696 176.300 0.118 0.000 1.137 560 R CA 2.311 58.504 56.100 0.155 0.000 0.943 560 R CB -0.508 29.871 30.300 0.133 0.000 0.846 560 R HN 0.462 nan 8.270 nan 0.000 0.431 561 F N 0.438 120.358 119.950 -0.050 0.000 2.065 561 F HA -0.247 4.284 4.527 0.007 0.000 0.298 561 F C 1.683 177.283 175.800 -0.335 0.000 1.112 561 F CA 1.833 59.679 58.000 -0.257 0.000 1.212 561 F CB -0.326 38.424 39.000 -0.417 0.000 0.975 561 F HN 0.005 nan 8.300 nan 0.000 0.476 562 F N -0.134 119.920 119.950 0.173 0.000 2.293 562 F HA -0.089 4.442 4.527 0.007 0.000 0.297 562 F C 2.460 178.270 175.800 0.017 0.000 1.089 562 F CA 1.462 59.501 58.000 0.064 0.000 1.377 562 F CB -1.312 37.806 39.000 0.198 0.000 1.051 562 F HN -0.141 nan 8.300 nan 0.000 0.511 563 T N -0.498 114.178 114.554 0.203 0.000 2.708 563 T HA -0.219 4.135 4.350 0.007 0.000 0.266 563 T C 1.923 176.671 174.700 0.080 0.000 1.037 563 T CA 1.455 63.656 62.100 0.168 0.000 1.146 563 T CB -0.350 68.634 68.868 0.192 0.000 0.865 563 T HN 0.292 nan 8.240 nan 0.000 0.435 564 Q N 0.205 119.988 119.800 -0.027 0.000 2.061 564 Q HA -0.098 4.246 4.340 0.007 0.000 0.204 564 Q C 2.366 178.263 176.000 -0.173 0.000 0.984 564 Q CA 1.246 56.983 55.803 -0.110 0.000 0.846 564 Q CB -0.407 28.213 28.738 -0.197 0.000 0.902 564 Q HN 0.323 nan 8.270 nan 0.000 0.421 565 L N 1.284 122.314 121.223 -0.322 0.000 2.012 565 L HA -0.232 4.112 4.340 0.007 0.000 0.210 565 L C 2.238 179.067 176.870 -0.067 0.000 1.073 565 L CA 1.944 56.593 54.840 -0.318 0.000 0.748 565 L CB -0.380 41.371 42.059 -0.513 0.000 0.891 565 L HN 0.037 nan 8.230 nan 0.000 0.431 566 K N -1.337 119.085 120.400 0.038 0.000 2.057 566 K HA -0.196 4.128 4.320 0.007 0.000 0.207 566 K C 2.126 178.794 176.600 0.113 0.000 1.049 566 K CA 1.829 58.185 56.287 0.116 0.000 0.931 566 K CB -0.343 32.259 32.500 0.170 0.000 0.714 566 K HN 0.525 nan 8.250 nan 0.000 0.440 567 C N 0.556 119.921 119.300 0.108 0.000 2.425 567 C HA 0.004 4.468 4.460 0.007 0.000 0.277 567 C C 2.518 177.649 174.990 0.235 0.000 1.280 567 C CA 0.515 59.636 59.018 0.171 0.000 1.744 567 C CB -0.828 26.985 27.740 0.121 0.000 1.989 567 C HN 0.475 nan 8.230 nan 0.000 0.491 568 R N 0.133 120.700 120.500 0.111 0.000 2.148 568 R HA 0.043 4.387 4.340 0.007 0.000 0.223 568 R C 1.843 178.209 176.300 0.110 0.000 1.088 568 R CA 0.995 57.164 56.100 0.115 0.000 0.985 568 R CB -0.228 30.070 30.300 -0.004 0.000 0.880 568 R HN 0.566 nan 8.270 nan 0.000 0.451 569 M N -0.039 119.609 119.600 0.079 0.000 2.618 569 M HA 0.027 4.511 4.480 0.007 0.000 0.240 569 M C 1.573 177.886 176.300 0.021 0.000 1.123 569 M CA 0.388 55.738 55.300 0.084 0.000 1.060 569 M CB 0.185 32.865 32.600 0.133 0.000 1.535 569 M HN 0.027 nan 8.290 nan 0.000 0.507 570 M N 0.291 119.858 119.600 -0.055 0.000 2.149 570 M HA -0.090 4.394 4.480 0.007 0.000 0.261 570 M C -0.682 175.144 176.300 -0.790 0.000 1.064 570 M CA 1.818 56.908 55.300 -0.348 0.000 1.102 570 M CB -2.145 30.323 32.600 -0.220 0.000 1.369 570 M HN 0.000 nan 8.290 nan 0.000 0.408 571 P HA -0.191 nan 4.420 nan 0.000 0.215 571 P C 1.578 178.686 177.300 -0.321 0.000 1.153 571 P CA 1.295 64.007 63.100 -0.646 0.000 0.853 571 P CB -0.361 31.202 31.700 -0.228 0.000 0.788 572 Y N -0.124 120.022 120.300 -0.257 0.000 2.184 572 Y HA -0.103 4.451 4.550 0.007 0.000 0.290 572 Y C 1.933 177.728 175.900 -0.176 0.000 1.129 572 Y CA 1.184 59.195 58.100 -0.148 0.000 1.144 572 Y CB -1.042 37.378 38.460 -0.067 0.000 0.995 572 Y HN -0.263 nan 8.280 nan 0.000 0.513 573 L N -0.476 120.543 121.223 -0.340 0.000 2.017 573 L HA -0.225 4.119 4.340 0.007 0.000 0.208 573 L C 2.251 178.832 176.870 -0.483 0.000 1.073 573 L CA 1.762 56.349 54.840 -0.422 0.000 0.745 573 L CB -1.903 40.022 42.059 -0.223 0.000 0.894 573 L HN 0.339 nan 8.230 nan 0.000 0.432 574 Y N 0.298 120.159 120.300 -0.730 0.000 2.293 574 Y HA -0.251 4.303 4.550 0.007 0.000 0.291 574 Y C 2.812 178.453 175.900 -0.431 0.000 1.137 574 Y CA 1.529 59.200 58.100 -0.716 0.000 1.202 574 Y CB -0.105 37.753 38.460 -1.003 0.000 0.990 574 Y HN 0.102 nan 8.280 nan 0.000 0.537 575 R N 0.784 121.078 120.500 -0.343 0.000 2.073 575 R HA -0.128 4.216 4.340 0.007 0.000 0.234 575 R C 1.899 178.032 176.300 -0.279 0.000 1.134 575 R CA 1.941 57.889 56.100 -0.253 0.000 0.952 575 R CB -0.486 29.712 30.300 -0.171 0.000 0.850 575 R HN 0.153 nan 8.270 nan 0.000 0.433 576 E N 0.326 120.303 120.200 -0.373 0.000 2.153 576 E HA -0.110 4.244 4.350 0.007 0.000 0.194 576 E C 1.853 178.330 176.600 -0.206 0.000 0.988 576 E CA 1.365 57.575 56.400 -0.316 0.000 0.811 576 E CB -0.455 28.981 29.700 -0.439 0.000 0.746 576 E HN 0.470 nan 8.360 nan 0.000 0.466 577 A N 1.410 124.103 122.820 -0.212 0.000 1.902 577 A HA -0.070 4.254 4.320 0.007 0.000 0.217 577 A C 2.419 179.980 177.584 -0.039 0.000 1.181 577 A CA 1.975 54.017 52.037 0.008 0.000 0.623 577 A CB -0.574 18.383 19.000 -0.072 0.000 0.818 577 A HN 0.265 nan 8.150 nan 0.000 0.443 578 A N -0.605 122.070 122.820 -0.242 0.000 1.972 578 A HA -0.158 4.166 4.320 0.007 0.000 0.219 578 A C 2.212 179.740 177.584 -0.094 0.000 1.169 578 A CA 1.514 53.452 52.037 -0.164 0.000 0.635 578 A CB -0.480 18.416 19.000 -0.173 0.000 0.810 578 A HN 0.521 nan 8.150 nan 0.000 0.446 579 R N -0.730 119.701 120.500 -0.114 0.000 2.120 579 R HA -0.122 4.222 4.340 0.007 0.000 0.234 579 R C 2.357 178.592 176.300 -0.108 0.000 1.123 579 R CA 1.186 57.222 56.100 -0.106 0.000 0.975 579 R CB -0.302 29.924 30.300 -0.123 0.000 0.866 579 R HN 0.534 nan 8.270 nan 0.000 0.446 580 A N 0.834 123.581 122.820 -0.121 0.000 1.929 580 A HA -0.168 4.156 4.320 0.007 0.000 0.216 580 A C 1.879 179.408 177.584 -0.093 0.000 1.176 580 A CA 1.322 53.248 52.037 -0.185 0.000 0.628 580 A CB -0.679 18.047 19.000 -0.456 0.000 0.816 580 A HN 0.439 nan 8.150 nan 0.000 0.444 581 N N 0.241 118.946 118.700 0.008 0.000 2.188 581 N HA -0.118 4.626 4.740 0.007 0.000 0.184 581 N C 1.822 177.307 175.510 -0.042 0.000 1.018 581 N CA 1.347 54.405 53.050 0.013 0.000 0.858 581 N CB -0.134 38.383 38.487 0.051 0.000 0.989 581 N HN 0.377 nan 8.380 nan 0.000 0.426 582 A N 0.483 123.270 122.820 -0.054 0.000 1.935 582 A HA 0.114 4.438 4.320 0.007 0.000 0.214 582 A C 2.086 179.626 177.584 -0.074 0.000 1.178 582 A CA 0.644 52.645 52.037 -0.059 0.000 0.640 582 A CB 0.079 19.047 19.000 -0.054 0.000 0.825 582 A HN 0.242 nan 8.150 nan 0.000 0.447 583 R N -2.346 118.103 120.500 -0.085 0.000 2.521 583 R HA 0.222 4.566 4.340 0.007 0.000 0.289 583 R C 0.881 177.119 176.300 -0.103 0.000 0.936 583 R CA 0.565 56.612 56.100 -0.087 0.000 1.089 583 R CB 0.675 30.926 30.300 -0.081 0.000 1.348 583 R HN 0.649 nan 8.270 nan 0.000 0.536 584 G N 1.979 110.705 108.800 -0.123 0.000 2.198 584 G HA2 -0.260 3.704 3.960 0.007 0.000 0.260 584 G HA3 -0.260 3.704 3.960 0.007 0.000 0.260 584 G C 0.025 174.837 174.900 -0.148 0.000 1.025 584 G CA 0.695 45.706 45.100 -0.149 0.000 0.769 584 G HN 0.231 nan 8.290 nan 0.000 0.507 585 T N 3.341 117.808 114.554 -0.144 0.000 2.729 585 T HA 0.493 4.847 4.350 0.007 0.000 0.296 585 T C -1.537 173.053 174.700 -0.184 0.000 0.928 585 T CA -0.546 61.470 62.100 -0.140 0.000 1.045 585 T CB 2.079 70.876 68.868 -0.119 0.000 0.902 585 T HN 0.308 nan 8.240 nan 0.000 0.500 586 P HA 0.209 nan 4.420 nan 0.000 0.274 586 P C 0.774 177.970 177.300 -0.174 0.000 1.237 586 P CA -0.485 62.472 63.100 -0.238 0.000 0.793 586 P CB 0.934 32.532 31.700 -0.170 0.000 0.977 587 M N 0.213 119.704 119.600 -0.183 0.000 2.132 587 M HA -0.019 4.465 4.480 0.007 0.000 0.263 587 M C 1.477 177.817 176.300 0.066 0.000 1.065 587 M CA 1.743 57.023 55.300 -0.033 0.000 1.122 587 M CB -0.115 32.528 32.600 0.072 0.000 1.365 587 M HN 0.373 nan 8.290 nan 0.000 0.411 588 M N 1.432 121.067 119.600 0.059 0.000 2.063 588 M HA 0.284 4.768 4.480 0.007 0.000 0.348 588 M C -1.071 175.241 176.300 0.020 0.000 1.180 588 M CA -0.032 55.311 55.300 0.071 0.000 1.059 588 M CB 0.511 33.082 32.600 -0.047 0.000 1.544 588 M HN 0.026 nan 8.290 nan 0.000 0.447 589 R N 3.707 124.272 120.500 0.108 0.000 2.562 589 R HA 0.700 5.044 4.340 0.007 0.000 0.298 589 R C -0.505 175.843 176.300 0.080 0.000 0.961 589 R CA -0.775 55.349 56.100 0.041 0.000 0.881 589 R CB 1.762 32.075 30.300 0.021 0.000 1.159 589 R HN 0.807 nan 8.270 nan 0.000 0.450 590 A N 3.386 126.204 122.820 -0.004 0.000 2.462 590 A HA 0.084 4.408 4.320 0.007 0.000 0.243 590 A C 1.284 178.887 177.584 0.032 0.000 1.076 590 A CA -0.296 51.742 52.037 0.002 0.000 0.773 590 A CB 0.210 19.149 19.000 -0.101 0.000 1.010 590 A HN 0.779 nan 8.150 nan 0.000 0.493 591 M N 1.990 121.645 119.600 0.093 0.000 2.106 591 M HA -0.242 4.242 4.480 0.007 0.000 0.259 591 M C 2.074 178.469 176.300 0.158 0.000 1.068 591 M CA 2.507 57.918 55.300 0.185 0.000 1.100 591 M CB -1.559 31.130 32.600 0.147 0.000 1.351 591 M HN 1.015 nan 8.290 nan 0.000 0.404 592 M N -0.863 118.734 119.600 -0.006 0.000 2.202 592 M HA -0.169 4.315 4.480 0.007 0.000 0.262 592 M C 2.059 178.282 176.300 -0.129 0.000 1.063 592 M CA 1.871 57.113 55.300 -0.097 0.000 1.097 592 M CB -0.991 31.424 32.600 -0.308 0.000 1.382 592 M HN 0.298 nan 8.290 nan 0.000 0.413 593 M N -0.473 119.037 119.600 -0.151 0.000 2.236 593 M HA -0.069 4.415 4.480 0.007 0.000 0.266 593 M C 1.761 177.974 176.300 -0.146 0.000 1.070 593 M CA 1.820 57.021 55.300 -0.164 0.000 1.137 593 M CB -0.035 32.466 32.600 -0.164 0.000 1.378 593 M HN 0.429 nan 8.290 nan 0.000 0.426 594 E N 0.026 120.139 120.200 -0.145 0.000 2.299 594 E HA 0.012 4.366 4.350 0.007 0.000 0.193 594 E C -0.432 175.756 176.600 -0.687 0.000 0.998 594 E CA 0.881 57.047 56.400 -0.390 0.000 0.851 594 E CB 0.218 29.682 29.700 -0.393 0.000 0.795 594 E HN 0.531 nan 8.360 nan 0.000 0.492 595 F N 0.162 120.122 119.950 0.017 0.000 2.564 595 F HA 0.319 4.850 4.527 0.007 0.000 0.329 595 F C -1.811 173.991 175.800 0.004 0.000 1.458 595 F CA -1.741 56.282 58.000 0.038 0.000 1.117 595 F CB 1.680 40.734 39.000 0.090 0.000 1.383 595 F HN -0.036 nan 8.300 nan 0.000 0.571 596 P HA -0.107 nan 4.420 nan 0.000 0.223 596 P C 0.470 177.796 177.300 0.044 0.000 1.151 596 P CA 1.370 64.479 63.100 0.015 0.000 0.787 596 P CB 0.406 32.088 31.700 -0.031 0.000 0.788 597 D N -0.865 119.583 120.400 0.081 0.000 2.349 597 D HA 0.012 4.656 4.640 0.007 0.000 0.214 597 D C 0.164 176.520 176.300 0.093 0.000 1.063 597 D CA 0.375 54.421 54.000 0.077 0.000 0.847 597 D CB 0.073 40.919 40.800 0.077 0.000 0.933 597 D HN 0.152 nan 8.370 nan 0.000 0.513 598 D N 1.575 122.048 120.400 0.122 0.000 2.359 598 D HA 0.090 4.734 4.640 0.007 0.000 0.230 598 D C -1.515 174.806 176.300 0.035 0.000 1.118 598 D CA -2.075 51.985 54.000 0.099 0.000 0.844 598 D CB 2.095 42.982 40.800 0.145 0.000 1.059 598 D HN -0.080 nan 8.370 nan 0.000 0.493 599 P HA -0.026 nan 4.420 nan 0.000 0.230 599 P C 0.859 178.143 177.300 -0.027 0.000 1.158 599 P CA 0.312 63.420 63.100 0.013 0.000 0.769 599 P CB 0.258 31.975 31.700 0.028 0.000 0.807 600 A N -0.926 121.812 122.820 -0.136 0.000 2.168 600 A HA -0.046 4.278 4.320 0.007 0.000 0.215 600 A C 2.043 179.398 177.584 -0.382 0.000 1.152 600 A CA 0.893 52.718 52.037 -0.354 0.000 0.716 600 A CB -1.323 17.183 19.000 -0.823 0.000 0.794 600 A HN 0.262 nan 8.150 nan 0.000 0.465 601 C N -0.661 118.523 119.300 -0.194 0.000 2.926 601 C HA 0.105 4.569 4.460 0.007 0.000 0.272 601 C C 1.721 176.709 174.990 -0.003 0.000 1.249 601 C CA -0.114 58.846 59.018 -0.097 0.000 1.691 601 C CB -0.601 27.142 27.740 0.005 0.000 1.983 601 C HN 0.563 nan 8.230 nan 0.000 0.615 602 D N 0.936 121.341 120.400 0.008 0.000 2.133 602 D HA -0.148 4.496 4.640 0.007 0.000 0.195 602 D C 1.045 177.275 176.300 -0.116 0.000 0.997 602 D CA 1.745 55.712 54.000 -0.055 0.000 0.840 602 D CB -0.157 40.532 40.800 -0.186 0.000 0.947 602 D HN 0.577 nan 8.370 nan 0.000 0.452 603 Y N -0.231 120.117 120.300 0.080 0.000 2.467 603 Y HA 0.280 4.834 4.550 0.007 0.000 0.250 603 Y C 0.575 176.523 175.900 0.081 0.000 1.155 603 Y CA -0.370 57.773 58.100 0.072 0.000 1.249 603 Y CB 0.302 38.782 38.460 0.033 0.000 1.146 603 Y HN -0.207 nan 8.280 nan 0.000 0.524 604 L N 2.584 123.916 121.223 0.182 0.000 2.410 604 L HA 0.091 4.435 4.340 0.007 0.000 0.273 604 L C 0.307 177.248 176.870 0.119 0.000 1.144 604 L CA 0.325 55.252 54.840 0.144 0.000 0.863 604 L CB 0.524 42.621 42.059 0.064 0.000 1.140 604 L HN 0.298 nan 8.230 nan 0.000 0.463 605 D N 1.408 121.875 120.400 0.111 0.000 2.538 605 D HA 0.016 4.660 4.640 0.007 0.000 0.241 605 D C 0.975 177.308 176.300 0.055 0.000 1.297 605 D CA -0.240 53.804 54.000 0.073 0.000 0.804 605 D CB 0.331 41.161 40.800 0.050 0.000 1.122 605 D HN 0.400 nan 8.370 nan 0.000 0.519 606 R N 0.493 121.044 120.500 0.085 0.000 2.543 606 R HA 0.227 4.571 4.340 0.007 0.000 0.323 606 R C 0.212 176.634 176.300 0.203 0.000 1.002 606 R CA 0.025 56.190 56.100 0.109 0.000 1.106 606 R CB 0.774 31.101 30.300 0.045 0.000 1.280 606 R HN 0.373 nan 8.270 nan 0.000 0.549 607 Q N -0.142 119.758 119.800 0.166 0.000 2.590 607 Q HA 0.429 4.773 4.340 0.007 0.000 0.295 607 Q C -1.467 174.655 176.000 0.205 0.000 0.973 607 Q CA -1.193 54.665 55.803 0.092 0.000 0.768 607 Q CB 1.646 30.375 28.738 -0.016 0.000 1.479 607 Q HN 0.074 nan 8.270 nan 0.000 0.419 608 Y N -2.061 118.259 120.300 0.034 0.000 2.677 608 Y HA 0.649 5.203 4.550 0.007 0.000 0.334 608 Y C -1.404 174.552 175.900 0.093 0.000 1.196 608 Y CA -1.636 56.503 58.100 0.066 0.000 1.059 608 Y CB 1.214 39.726 38.460 0.086 0.000 1.315 608 Y HN 0.502 nan 8.280 nan 0.000 0.455 609 M N 3.079 122.846 119.600 0.279 0.000 2.144 609 M HA 0.309 4.793 4.480 0.007 0.000 0.356 609 M C -1.045 175.462 176.300 0.345 0.000 1.217 609 M CA -0.631 54.814 55.300 0.241 0.000 1.087 609 M CB 1.179 33.915 32.600 0.226 0.000 1.609 609 M HN 0.739 nan 8.290 nan 0.000 0.467 610 L N 4.145 125.552 121.223 0.306 0.000 2.288 610 L HA 0.617 4.961 4.340 0.007 0.000 0.283 610 L C 0.487 177.527 176.870 0.284 0.000 1.072 610 L CA 0.734 55.788 54.840 0.357 0.000 0.862 610 L CB -0.105 42.188 42.059 0.391 0.000 1.245 610 L HN 0.958 nan 8.230 nan 0.000 0.432 611 G N 3.773 112.666 108.800 0.155 0.000 2.782 611 G HA2 -0.278 3.686 3.960 0.007 0.000 0.228 611 G HA3 -0.278 3.686 3.960 0.007 0.000 0.228 611 G C 0.359 175.338 174.900 0.132 0.000 1.372 611 G CA -0.067 45.066 45.100 0.055 0.000 0.862 611 G HN 0.533 nan 8.290 nan 0.000 0.547 612 D N 0.259 120.716 120.400 0.096 0.000 2.149 612 D HA -0.078 4.566 4.640 0.007 0.000 0.198 612 D C 2.086 178.456 176.300 0.118 0.000 0.990 612 D CA 1.730 55.773 54.000 0.072 0.000 0.839 612 D CB 0.037 40.867 40.800 0.050 0.000 0.948 612 D HN 0.380 nan 8.370 nan 0.000 0.460 613 N N -0.716 118.114 118.700 0.216 0.000 2.227 613 N HA 0.050 4.794 4.740 0.007 0.000 0.196 613 N C -0.461 175.086 175.510 0.061 0.000 1.142 613 N CA 0.110 53.205 53.050 0.075 0.000 0.887 613 N CB 2.059 40.532 38.487 -0.024 0.000 1.022 613 N HN -0.029 nan 8.380 nan 0.000 0.500 614 V N 2.399 122.407 119.914 0.158 0.000 2.444 614 V HA 0.361 4.485 4.120 0.007 0.000 0.294 614 V C -0.074 176.104 176.094 0.142 0.000 1.022 614 V CA -0.643 61.717 62.300 0.100 0.000 0.850 614 V CB 2.343 34.183 31.823 0.029 0.000 0.992 614 V HN 0.094 nan 8.190 nan 0.000 0.426 615 M N 6.276 125.951 119.600 0.125 0.000 2.144 615 M HA 0.563 5.047 4.480 0.007 0.000 0.356 615 M C -1.019 175.130 176.300 -0.252 0.000 1.217 615 M CA -0.206 55.056 55.300 -0.062 0.000 1.087 615 M CB 1.314 33.789 32.600 -0.208 0.000 1.609 615 M HN 0.620 nan 8.290 nan 0.000 0.467 616 V N 4.958 124.600 119.914 -0.453 0.000 2.555 616 V HA 0.925 5.049 4.120 0.007 0.000 0.302 616 V C -1.096 174.649 176.094 -0.582 0.000 1.038 616 V CA -0.382 61.586 62.300 -0.554 0.000 0.887 616 V CB 1.662 33.205 31.823 -0.467 0.000 0.991 616 V HN 0.970 nan 8.190 nan 0.000 0.434 617 A N 7.167 129.733 122.820 -0.424 0.000 2.586 617 A HA 0.830 5.154 4.320 0.007 0.000 0.320 617 A C -2.796 174.638 177.584 -0.249 0.000 1.281 617 A CA -1.676 50.191 52.037 -0.283 0.000 0.775 617 A CB 0.703 19.522 19.000 -0.302 0.000 1.122 617 A HN 0.745 nan 8.150 nan 0.000 0.470 618 P HA 0.146 nan 4.420 nan 0.000 0.267 618 P C -0.207 176.754 177.300 -0.564 0.000 1.201 618 P CA 0.146 62.974 63.100 -0.454 0.000 0.775 618 P CB 0.698 31.928 31.700 -0.783 0.000 0.854 619 V N 3.490 123.108 119.914 -0.495 0.000 2.407 619 V HA 0.212 4.336 4.120 0.007 0.000 0.278 619 V C 0.426 176.188 176.094 -0.554 0.000 1.037 619 V CA 0.213 62.307 62.300 -0.343 0.000 0.900 619 V CB 0.282 32.014 31.823 -0.150 0.000 0.983 619 V HN 0.441 nan 8.190 nan 0.000 0.459 620 F N 2.254 122.037 119.950 -0.278 0.000 2.708 620 F HA 0.267 4.798 4.527 0.007 0.000 0.300 620 F C 1.071 176.232 175.800 -1.066 0.000 1.118 620 F CA -0.273 57.372 58.000 -0.592 0.000 1.307 620 F CB 0.580 39.407 39.000 -0.289 0.000 0.986 620 F HN 0.581 nan 8.300 nan 0.000 0.522 621 T N -4.507 109.686 114.554 -0.602 0.000 2.906 621 T HA 0.298 4.652 4.350 0.007 0.000 0.295 621 T C 0.756 175.423 174.700 -0.056 0.000 1.075 621 T CA -0.679 61.196 62.100 -0.376 0.000 1.005 621 T CB 2.442 71.252 68.868 -0.097 0.000 1.136 621 T HN 0.159 nan 8.240 nan 0.000 0.498 622 E N 1.023 121.330 120.200 0.178 0.000 2.031 622 E HA -0.102 4.252 4.350 0.007 0.000 0.193 622 E C 2.259 178.897 176.600 0.064 0.000 0.994 622 E CA 1.339 57.850 56.400 0.185 0.000 0.800 622 E CB -0.516 29.060 29.700 -0.206 0.000 0.752 622 E HN 0.805 nan 8.360 nan 0.000 0.447 623 A N -0.210 122.616 122.820 0.009 0.000 2.125 623 A HA 0.034 4.358 4.320 0.007 0.000 0.219 623 A C 1.874 179.420 177.584 -0.063 0.000 1.156 623 A CA 1.531 53.554 52.037 -0.024 0.000 0.671 623 A CB -0.606 18.392 19.000 -0.003 0.000 0.794 623 A HN 0.611 nan 8.150 nan 0.000 0.459 624 G N -1.086 107.681 108.800 -0.056 0.000 2.163 624 G HA2 -0.163 3.801 3.960 0.007 0.000 0.213 624 G HA3 -0.163 3.801 3.960 0.007 0.000 0.213 624 G C -0.402 174.521 174.900 0.038 0.000 0.991 624 G CA 0.086 45.156 45.100 -0.051 0.000 0.653 624 G HN 0.496 nan 8.290 nan 0.000 0.518 625 D N 0.046 120.467 120.400 0.035 0.000 2.382 625 D HA 0.486 5.130 4.640 0.007 0.000 0.245 625 D C 0.039 176.403 176.300 0.106 0.000 1.120 625 D CA 0.527 54.572 54.000 0.076 0.000 0.890 625 D CB 2.406 43.234 40.800 0.047 0.000 1.201 625 D HN 0.510 nan 8.370 nan 0.000 0.433 626 V N 1.757 121.776 119.914 0.174 0.000 2.852 626 V HA 0.166 4.290 4.120 0.007 0.000 0.300 626 V C -1.673 174.609 176.094 0.313 0.000 1.205 626 V CA -0.567 61.872 62.300 0.231 0.000 0.940 626 V CB 2.115 34.062 31.823 0.206 0.000 1.047 626 V HN 0.460 nan 8.190 nan 0.000 0.429 627 Q N 5.386 125.381 119.800 0.324 0.000 2.309 627 Q HA 0.814 5.158 4.340 0.007 0.000 0.264 627 Q C -1.322 175.008 176.000 0.551 0.000 1.008 627 Q CA -0.465 55.559 55.803 0.369 0.000 0.853 627 Q CB 2.540 31.454 28.738 0.293 0.000 1.314 627 Q HN 0.742 nan 8.270 nan 0.000 0.448 628 F N -1.072 119.043 119.950 0.275 0.000 2.668 628 F HA 0.553 5.084 4.527 0.007 0.000 0.309 628 F C -1.823 173.626 175.800 -0.584 0.000 1.117 628 F CA -1.423 56.482 58.000 -0.158 0.000 0.951 628 F CB 0.958 39.866 39.000 -0.154 0.000 1.323 628 F HN 0.472 nan 8.300 nan 0.000 0.451 629 Y N 2.517 122.205 120.300 -1.020 0.000 2.361 629 Y HA 0.755 5.310 4.550 0.007 0.000 0.332 629 Y C -1.751 173.760 175.900 -0.649 0.000 1.101 629 Y CA -1.266 56.130 58.100 -1.174 0.000 1.137 629 Y CB 1.505 39.041 38.460 -1.541 0.000 1.207 629 Y HN 0.728 nan 8.280 nan 0.000 0.463 630 L N 8.959 129.287 121.223 -1.493 0.000 2.325 630 L HA 0.555 4.899 4.340 0.007 0.000 0.281 630 L C -2.305 173.671 176.870 -1.489 0.000 1.004 630 L CA -2.876 51.134 54.840 -1.382 0.000 0.823 630 L CB 1.300 42.679 42.059 -1.134 0.000 1.236 630 L HN 0.610 nan 8.230 nan 0.000 0.415 631 P HA -0.016 nan 4.420 nan 0.000 0.272 631 P C -0.363 176.881 177.300 -0.092 0.000 1.248 631 P CA -0.304 62.501 63.100 -0.492 0.000 0.799 631 P CB 0.471 31.582 31.700 -0.980 0.000 0.997 632 E N 0.086 120.301 120.200 0.026 0.000 2.481 632 E HA 0.290 4.644 4.350 0.007 0.000 0.263 632 E C 0.321 177.026 176.600 0.174 0.000 0.992 632 E CA 0.724 57.184 56.400 0.100 0.000 0.938 632 E CB -0.317 29.439 29.700 0.094 0.000 0.933 632 E HN 0.642 nan 8.360 nan 0.000 0.453 633 G N 2.814 111.690 108.800 0.128 0.000 2.354 633 G HA2 -0.100 3.865 3.960 0.007 0.000 0.582 633 G HA3 -0.100 3.865 3.960 0.007 0.000 0.582 633 G C -1.318 173.619 174.900 0.061 0.000 1.316 633 G CA -0.582 44.523 45.100 0.007 0.000 0.995 633 G HN 0.595 nan 8.290 nan 0.000 0.573 634 R N -0.238 120.217 120.500 -0.075 0.000 2.288 634 R HA 0.564 4.909 4.340 0.007 0.000 0.326 634 R C -1.105 175.179 176.300 -0.027 0.000 0.959 634 R CA -0.748 55.370 56.100 0.030 0.000 0.834 634 R CB 0.603 30.916 30.300 0.020 0.000 1.157 634 R HN 0.465 nan 8.270 nan 0.000 0.470 635 W N 2.192 123.467 121.300 -0.040 0.000 2.512 635 W HA 0.396 5.060 4.660 0.007 0.000 0.335 635 W C -0.161 176.441 176.519 0.138 0.000 1.088 635 W CA -0.334 57.010 57.345 -0.002 0.000 1.236 635 W CB 2.162 31.559 29.460 -0.105 0.000 1.307 635 W HN 0.326 nan 8.180 nan 0.000 0.567 636 T N 2.008 116.802 114.554 0.400 0.000 2.824 636 T HA 0.095 4.449 4.350 0.007 0.000 0.282 636 T C -0.630 174.210 174.700 0.234 0.000 0.993 636 T CA -0.621 61.711 62.100 0.386 0.000 0.967 636 T CB 0.827 69.959 68.868 0.440 0.000 0.960 636 T HN 0.263 nan 8.240 nan 0.000 0.441 637 H N 3.277 122.339 119.070 -0.013 0.000 3.004 637 H HA 0.036 4.597 4.556 0.007 0.000 0.316 637 H C 0.938 176.087 175.328 -0.298 0.000 1.014 637 H CA -0.373 55.324 56.048 -0.585 0.000 1.454 637 H CB 0.752 30.122 29.762 -0.653 0.000 1.472 637 H HN 0.495 nan 8.280 nan 0.000 0.571 638 L N 6.321 127.215 121.223 -0.549 0.000 2.043 638 L HA -0.195 4.149 4.340 0.007 0.000 0.212 638 L C 1.750 178.757 176.870 0.228 0.000 1.075 638 L CA 2.323 57.095 54.840 -0.113 0.000 0.752 638 L CB -0.572 41.424 42.059 -0.105 0.000 0.891 638 L HN 0.839 nan 8.230 nan 0.000 0.432 639 W N -4.502 116.908 121.300 0.183 0.000 2.942 639 W HA 0.253 4.917 4.660 0.007 0.000 0.260 639 W C 1.892 178.433 176.519 0.037 0.000 1.101 639 W CA 0.005 57.390 57.345 0.068 0.000 1.436 639 W CB -0.733 28.726 29.460 -0.002 0.000 0.883 639 W HN -0.044 nan 8.180 nan 0.000 0.646 640 H N 1.053 120.014 119.070 -0.182 0.000 2.529 640 H HA 0.026 4.586 4.556 0.007 0.000 0.277 640 H C 0.757 176.067 175.328 -0.030 0.000 0.999 640 H CA 1.258 57.165 56.048 -0.236 0.000 1.256 640 H CB -0.300 29.085 29.762 -0.628 0.000 1.402 640 H HN 0.203 nan 8.280 nan 0.000 0.566 641 N N 1.040 119.840 118.700 0.167 0.000 2.863 641 N HA -0.162 4.582 4.740 0.007 0.000 0.245 641 N C -0.596 175.025 175.510 0.185 0.000 1.001 641 N CA 1.050 54.215 53.050 0.192 0.000 0.901 641 N CB -0.984 37.600 38.487 0.162 0.000 1.124 641 N HN 0.672 nan 8.380 nan 0.000 0.582 642 D N 0.039 120.548 120.400 0.183 0.000 2.357 642 D HA 0.144 4.788 4.640 0.007 0.000 0.242 642 D C -0.142 176.325 176.300 0.279 0.000 1.153 642 D CA 0.278 54.389 54.000 0.185 0.000 0.918 642 D CB 0.900 41.788 40.800 0.146 0.000 1.181 642 D HN 0.291 nan 8.370 nan 0.000 0.435 643 E N 0.133 120.459 120.200 0.209 0.000 2.195 643 E HA 0.574 4.928 4.350 0.007 0.000 0.271 643 E C -0.703 175.964 176.600 0.112 0.000 0.923 643 E CA -0.827 55.692 56.400 0.198 0.000 0.790 643 E CB 2.192 31.978 29.700 0.143 0.000 1.155 643 E HN 0.346 nan 8.360 nan 0.000 0.402 644 L N 1.946 123.198 121.223 0.049 0.000 2.422 644 L HA 0.410 4.754 4.340 0.007 0.000 0.264 644 L C -0.827 176.038 176.870 -0.009 0.000 0.984 644 L CA -1.047 53.723 54.840 -0.118 0.000 0.819 644 L CB 2.127 43.843 42.059 -0.572 0.000 1.330 644 L HN 0.402 nan 8.230 nan 0.000 0.410 645 D N 1.407 121.830 120.400 0.040 0.000 2.210 645 D HA 0.380 5.024 4.640 0.007 0.000 0.249 645 D C 0.182 176.541 176.300 0.099 0.000 1.078 645 D CA 0.059 54.114 54.000 0.092 0.000 0.875 645 D CB 2.327 43.170 40.800 0.072 0.000 1.175 645 D HN 0.659 nan 8.370 nan 0.000 0.440 646 G N -0.450 108.408 108.800 0.097 0.000 2.510 646 G HA2 0.307 4.271 3.960 0.007 0.000 0.280 646 G HA3 0.307 4.271 3.960 0.007 0.000 0.280 646 G C 0.446 175.283 174.900 -0.104 0.000 1.386 646 G CA -0.030 45.050 45.100 -0.035 0.000 1.047 646 G HN 0.499 nan 8.290 nan 0.000 0.527 647 S N -2.059 113.503 115.700 -0.230 0.000 3.482 647 S HA -0.172 4.302 4.470 0.007 0.000 0.294 647 S C 0.441 175.031 174.600 -0.016 0.000 1.244 647 S CA 1.769 59.932 58.200 -0.061 0.000 0.911 647 S CB -1.188 62.031 63.200 0.032 0.000 1.070 647 S HN 1.252 nan 8.310 nan 0.000 0.614 648 R N -1.650 118.682 120.500 -0.281 0.000 2.733 648 R HA 0.546 4.890 4.340 0.007 0.000 0.272 648 R C -1.143 174.943 176.300 -0.357 0.000 1.029 648 R CA -1.114 54.911 56.100 -0.125 0.000 0.888 648 R CB 0.053 30.250 30.300 -0.173 0.000 1.251 648 R HN 0.161 nan 8.270 nan 0.000 0.464 649 W N 0.899 122.042 121.300 -0.262 0.000 2.215 649 W HA 0.412 5.076 4.660 0.007 0.000 0.342 649 W C 0.476 176.525 176.519 -0.783 0.000 1.237 649 W CA 0.589 57.715 57.345 -0.365 0.000 1.283 649 W CB 0.675 30.024 29.460 -0.186 0.000 1.131 649 W HN 0.296 nan 8.180 nan 0.000 0.606 650 H N 1.188 120.016 119.070 -0.403 0.000 2.851 650 H HA 0.328 4.888 4.556 0.007 0.000 0.372 650 H C -1.062 174.015 175.328 -0.417 0.000 1.158 650 H CA -1.131 54.608 56.048 -0.515 0.000 1.159 650 H CB 2.525 31.757 29.762 -0.882 0.000 1.757 650 H HN 0.236 nan 8.280 nan 0.000 0.546 651 K N 2.214 122.583 120.400 -0.051 0.000 2.345 651 K HA 0.381 4.705 4.320 0.007 0.000 0.255 651 K C -1.100 175.576 176.600 0.127 0.000 0.934 651 K CA -0.413 55.906 56.287 0.053 0.000 0.801 651 K CB 1.766 34.284 32.500 0.030 0.000 1.137 651 K HN 0.665 nan 8.250 nan 0.000 0.424 652 Q N 1.767 121.704 119.800 0.228 0.000 2.615 652 Q HA 0.268 4.612 4.340 0.007 0.000 0.298 652 Q C -1.548 174.561 176.000 0.183 0.000 1.023 652 Q CA -1.042 54.891 55.803 0.217 0.000 0.768 652 Q CB 2.795 31.775 28.738 0.403 0.000 1.500 652 Q HN 0.533 nan 8.270 nan 0.000 0.441 653 Q N 0.822 120.649 119.800 0.045 0.000 2.321 653 Q HA 0.359 4.703 4.340 0.007 0.000 0.270 653 Q C -1.647 174.276 176.000 -0.128 0.000 1.032 653 Q CA -0.337 55.480 55.803 0.024 0.000 0.784 653 Q CB 1.434 30.157 28.738 -0.026 0.000 1.264 653 Q HN 0.610 nan 8.270 nan 0.000 0.448 654 H N 1.622 120.668 119.070 -0.040 0.000 2.637 654 H HA 0.418 4.978 4.556 0.007 0.000 0.363 654 H C -0.115 175.133 175.328 -0.133 0.000 1.131 654 H CA -0.565 55.454 56.048 -0.047 0.000 1.183 654 H CB 2.149 31.921 29.762 0.017 0.000 1.637 654 H HN 0.861 nan 8.280 nan 0.000 0.531 655 G N 0.364 109.154 108.800 -0.015 0.000 2.563 655 G HA2 0.139 4.103 3.960 0.007 0.000 0.283 655 G HA3 0.139 4.103 3.960 0.007 0.000 0.283 655 G C 0.151 175.006 174.900 -0.076 0.000 1.309 655 G CA -0.394 44.630 45.100 -0.127 0.000 1.022 655 G HN 0.477 nan 8.290 nan 0.000 0.501 656 F N -1.184 118.875 119.950 0.181 0.000 2.604 656 F HA 0.118 4.649 4.527 0.007 0.000 0.298 656 F C 2.027 177.987 175.800 0.266 0.000 1.131 656 F CA 0.153 58.286 58.000 0.222 0.000 1.457 656 F CB 0.156 39.282 39.000 0.210 0.000 1.095 656 F HN 0.040 nan 8.300 nan 0.000 0.574 657 L N -1.267 120.116 121.223 0.267 0.000 2.653 657 L HA 0.223 4.567 4.340 0.007 0.000 0.231 657 L C 0.527 177.496 176.870 0.164 0.000 1.153 657 L CA 0.072 54.886 54.840 -0.044 0.000 0.933 657 L CB -0.882 40.922 42.059 -0.426 0.000 1.175 657 L HN -0.038 nan 8.230 nan 0.000 0.473 658 S N -0.096 115.918 115.700 0.523 0.000 2.588 658 S HA 0.890 5.364 4.470 0.007 0.000 0.275 658 S C -1.168 173.728 174.600 0.493 0.000 1.130 658 S CA -0.585 58.040 58.200 0.708 0.000 0.855 658 S CB 1.321 64.936 63.200 0.691 0.000 1.116 658 S HN 0.119 nan 8.310 nan 0.000 0.472 659 L N -0.569 120.823 121.223 0.282 0.000 2.775 659 L HA 0.722 5.066 4.340 0.007 0.000 0.263 659 L C -3.144 173.469 176.870 -0.429 0.000 1.017 659 L CA -2.467 52.165 54.840 -0.346 0.000 0.891 659 L CB 1.493 43.471 42.059 -0.135 0.000 1.482 659 L HN 0.343 nan 8.230 nan 0.000 0.410 660 P HA 0.180 nan 4.420 nan 0.000 0.261 660 P C -0.892 176.090 177.300 -0.529 0.000 1.203 660 P CA 0.126 62.926 63.100 -0.501 0.000 0.767 660 P CB 0.749 31.893 31.700 -0.928 0.000 0.785 661 V N 5.823 125.237 119.914 -0.833 0.000 2.439 661 V HA 0.300 4.424 4.120 0.007 0.000 0.277 661 V C -0.807 174.711 176.094 -0.960 0.000 1.008 661 V CA -0.506 61.354 62.300 -0.734 0.000 0.846 661 V CB 0.248 31.750 31.823 -0.535 0.000 1.031 661 V HN 0.372 nan 8.190 nan 0.000 0.441 662 Y N 2.391 122.451 120.300 -0.401 0.000 2.429 662 Y HA 0.704 5.258 4.550 0.007 0.000 0.342 662 Y C 0.077 175.999 175.900 0.036 0.000 1.004 662 Y CA -0.865 57.124 58.100 -0.185 0.000 1.075 662 Y CB 2.379 40.768 38.460 -0.118 0.000 1.214 662 Y HN 0.360 nan 8.280 nan 0.000 0.455 663 V N 4.705 124.650 119.914 0.052 0.000 2.417 663 V HA 0.445 4.569 4.120 0.007 0.000 0.291 663 V C -0.086 175.803 176.094 -0.342 0.000 1.024 663 V CA -1.219 60.902 62.300 -0.299 0.000 0.861 663 V CB 1.263 32.471 31.823 -1.025 0.000 0.985 663 V HN 0.773 nan 8.190 nan 0.000 0.436 664 R N 2.290 122.409 120.500 -0.636 0.000 2.774 664 R HA 0.265 4.609 4.340 0.007 0.000 0.269 664 R C -0.354 175.577 176.300 -0.616 0.000 1.068 664 R CA -0.589 54.791 56.100 -1.200 0.000 1.180 664 R CB 0.328 29.893 30.300 -1.224 0.000 1.077 664 R HN 0.768 nan 8.270 nan 0.000 0.513 665 D N 0.362 120.419 120.400 -0.571 0.000 2.363 665 D HA -0.044 4.600 4.640 0.007 0.000 0.240 665 D C -0.278 175.904 176.300 -0.196 0.000 1.236 665 D CA -0.406 53.434 54.000 -0.267 0.000 0.927 665 D CB 0.085 40.736 40.800 -0.247 0.000 1.150 665 D HN 0.673 nan 8.370 nan 0.000 0.458 666 N N -1.249 117.386 118.700 -0.108 0.000 2.725 666 N HA -0.158 4.586 4.740 0.007 0.000 0.251 666 N C -0.961 174.544 175.510 -0.009 0.000 1.031 666 N CA 0.965 53.978 53.050 -0.062 0.000 0.720 666 N CB -1.610 36.813 38.487 -0.107 0.000 0.930 666 N HN 0.540 nan 8.380 nan 0.000 0.543 667 T N 0.883 115.469 114.554 0.054 0.000 2.824 667 T HA 0.513 4.867 4.350 0.007 0.000 0.282 667 T C -0.309 174.523 174.700 0.220 0.000 0.993 667 T CA -0.557 61.597 62.100 0.091 0.000 0.967 667 T CB 2.220 71.082 68.868 -0.011 0.000 0.960 667 T HN 0.124 nan 8.240 nan 0.000 0.441 668 L N 4.603 125.926 121.223 0.168 0.000 2.298 668 L HA 0.735 5.079 4.340 0.007 0.000 0.284 668 L C -1.376 175.644 176.870 0.250 0.000 1.013 668 L CA -0.895 54.068 54.840 0.204 0.000 0.824 668 L CB 0.946 43.063 42.059 0.098 0.000 1.221 668 L HN 0.553 nan 8.230 nan 0.000 0.418 669 L N 4.667 126.094 121.223 0.340 0.000 2.362 669 L HA 0.909 5.253 4.340 0.007 0.000 0.271 669 L C -0.531 176.525 176.870 0.309 0.000 1.002 669 L CA -0.235 54.760 54.840 0.258 0.000 0.818 669 L CB 1.924 44.099 42.059 0.193 0.000 1.298 669 L HN 0.718 nan 8.230 nan 0.000 0.420 670 A N 5.957 128.897 122.820 0.201 0.000 2.260 670 A HA 0.741 5.065 4.320 0.007 0.000 0.314 670 A C -1.074 176.515 177.584 0.009 0.000 1.257 670 A CA -0.490 51.546 52.037 -0.003 0.000 0.871 670 A CB 0.185 19.126 19.000 -0.099 0.000 1.166 670 A HN 0.687 nan 8.150 nan 0.000 0.522 671 L N 2.483 123.718 121.223 0.020 0.000 2.331 671 L HA 0.726 5.070 4.340 0.007 0.000 0.275 671 L C 0.941 177.841 176.870 0.051 0.000 1.022 671 L CA -0.745 54.123 54.840 0.048 0.000 0.812 671 L CB 1.918 44.014 42.059 0.062 0.000 1.257 671 L HN 0.768 nan 8.230 nan 0.000 0.435 672 G N -0.022 108.869 108.800 0.151 0.000 2.531 672 G HA2 0.242 4.206 3.960 0.007 0.000 0.313 672 G HA3 0.242 4.206 3.960 0.007 0.000 0.313 672 G C 0.166 175.186 174.900 0.201 0.000 1.238 672 G CA -0.504 44.778 45.100 0.303 0.000 0.994 672 G HN 0.758 nan 8.290 nan 0.000 0.493 673 N N -0.660 118.140 118.700 0.167 0.000 2.238 673 N HA 0.039 4.783 4.740 0.007 0.000 0.222 673 N C -0.299 175.092 175.510 -0.198 0.000 1.133 673 N CA -0.475 52.567 53.050 -0.013 0.000 0.854 673 N CB 0.415 38.907 38.487 0.008 0.000 1.041 673 N HN 0.302 nan 8.380 nan 0.000 0.510 674 N N 1.196 119.618 118.700 -0.464 0.000 2.448 674 N HA 0.091 4.835 4.740 0.007 0.000 0.279 674 N C -1.110 174.167 175.510 -0.388 0.000 1.025 674 N CA -0.315 52.353 53.050 -0.636 0.000 0.898 674 N CB 1.542 39.236 38.487 -1.322 0.000 1.303 674 N HN 0.158 nan 8.380 nan 0.000 0.495 675 D N 1.863 122.142 120.400 -0.200 0.000 2.463 675 D HA 0.096 4.740 4.640 0.007 0.000 0.224 675 D C 0.265 176.541 176.300 -0.041 0.000 1.174 675 D CA 0.248 54.187 54.000 -0.101 0.000 0.829 675 D CB 0.524 41.262 40.800 -0.105 0.000 0.993 675 D HN 0.321 nan 8.370 nan 0.000 0.497 676 Q N 0.255 120.025 119.800 -0.049 0.000 2.353 676 Q HA 0.195 4.539 4.340 0.007 0.000 0.240 676 Q C 0.422 176.536 176.000 0.190 0.000 0.868 676 Q CA 0.401 56.233 55.803 0.048 0.000 0.944 676 Q CB 1.470 30.205 28.738 -0.004 0.000 1.104 676 Q HN 0.524 nan 8.270 nan 0.000 0.531 677 R N -0.663 119.887 120.500 0.084 0.000 2.680 677 R HA 0.399 4.743 4.340 0.007 0.000 0.269 677 R C -2.610 173.759 176.300 0.115 0.000 1.026 677 R CA -1.417 54.709 56.100 0.043 0.000 0.889 677 R CB 1.202 31.560 30.300 0.097 0.000 1.241 677 R HN -0.309 nan 8.270 nan 0.000 0.463 678 P HA -0.032 nan 4.420 nan 0.000 0.227 678 P C -0.688 176.831 177.300 0.365 0.000 1.161 678 P CA 0.878 64.123 63.100 0.240 0.000 0.788 678 P CB 0.048 31.820 31.700 0.121 0.000 0.822 679 D N 0.735 121.270 120.400 0.226 0.000 2.412 679 D HA 0.253 4.897 4.640 0.007 0.000 0.224 679 D C -0.109 176.165 176.300 -0.043 0.000 1.093 679 D CA -0.840 53.157 54.000 -0.004 0.000 0.850 679 D CB 0.286 41.093 40.800 0.011 0.000 1.046 679 D HN 0.241 nan 8.370 nan 0.000 0.507 680 Y N -1.152 118.831 120.300 -0.528 0.000 2.853 680 Y HA 0.452 5.006 4.550 0.007 0.000 0.326 680 Y C -1.241 174.182 175.900 -0.795 0.000 1.384 680 Y CA -1.777 56.038 58.100 -0.474 0.000 1.077 680 Y CB 0.860 39.186 38.460 -0.222 0.000 1.395 680 Y HN 0.044 nan 8.280 nan 0.000 0.451 681 V N 3.710 123.435 119.914 -0.315 0.000 2.313 681 V HA 0.087 4.211 4.120 0.007 0.000 0.252 681 V C -0.077 175.831 176.094 -0.310 0.000 1.112 681 V CA -0.411 61.636 62.300 -0.420 0.000 0.984 681 V CB -0.683 30.949 31.823 -0.318 0.000 1.157 681 V HN 0.811 nan 8.190 nan 0.000 0.493 682 W N 4.542 125.688 121.300 -0.256 0.000 2.374 682 W HA -0.113 4.552 4.660 0.007 0.000 0.288 682 W C 2.151 178.628 176.519 -0.070 0.000 1.218 682 W CA 1.549 58.754 57.345 -0.233 0.000 1.245 682 W CB -0.758 28.553 29.460 -0.249 0.000 1.126 682 W HN 0.964 nan 8.180 nan 0.000 0.545 683 H N -0.619 118.541 119.070 0.150 0.000 2.539 683 H HA 0.230 4.791 4.556 0.007 0.000 0.267 683 H C -0.559 174.799 175.328 0.051 0.000 0.982 683 H CA 0.457 56.557 56.048 0.087 0.000 1.146 683 H CB -0.348 29.469 29.762 0.091 0.000 1.382 683 H HN 0.109 nan 8.280 nan 0.000 0.577 684 E N 0.400 120.479 120.200 -0.201 0.000 2.158 684 E HA 0.398 4.752 4.350 0.007 0.000 0.271 684 E C 0.194 176.806 176.600 0.021 0.000 0.911 684 E CA -0.355 55.999 56.400 -0.075 0.000 0.767 684 E CB 1.690 31.305 29.700 -0.140 0.000 1.120 684 E HN 0.461 nan 8.360 nan 0.000 0.405 685 G N 2.957 111.796 108.800 0.066 0.000 2.143 685 G HA2 -0.275 3.689 3.960 0.007 0.000 0.249 685 G HA3 -0.275 3.689 3.960 0.007 0.000 0.249 685 G C 0.342 175.291 174.900 0.082 0.000 0.981 685 G CA 0.136 45.279 45.100 0.071 0.000 0.665 685 G HN 0.504 nan 8.290 nan 0.000 0.528 686 T N 1.052 115.649 114.554 0.073 0.000 2.902 686 T HA 0.483 4.837 4.350 0.007 0.000 0.301 686 T C 0.624 175.253 174.700 -0.118 0.000 1.012 686 T CA 0.788 62.830 62.100 -0.098 0.000 1.151 686 T CB 1.565 70.236 68.868 -0.329 0.000 0.946 686 T HN 1.470 nan 8.240 nan 0.000 0.542 687 A N 3.885 126.622 122.820 -0.139 0.000 2.256 687 A HA 0.664 4.989 4.320 0.007 0.000 0.317 687 A C -0.431 177.094 177.584 -0.098 0.000 1.318 687 A CA -0.730 51.286 52.037 -0.034 0.000 0.894 687 A CB -0.026 19.036 19.000 0.103 0.000 1.165 687 A HN 0.701 nan 8.150 nan 0.000 0.525 688 F N 1.727 121.724 119.950 0.079 0.000 2.379 688 F HA 0.412 4.943 4.527 0.007 0.000 0.332 688 F C 0.923 176.639 175.800 -0.140 0.000 1.096 688 F CA 0.314 58.359 58.000 0.074 0.000 1.105 688 F CB 1.188 40.223 39.000 0.058 0.000 1.189 688 F HN 0.498 nan 8.300 nan 0.000 0.515 689 H N 3.372 122.584 119.070 0.236 0.000 2.823 689 H HA 0.310 4.870 4.556 0.007 0.000 0.332 689 H C -1.294 173.988 175.328 -0.077 0.000 0.980 689 H CA -0.849 55.198 56.048 -0.002 0.000 1.286 689 H CB 2.304 32.033 29.762 -0.055 0.000 1.541 689 H HN 0.380 nan 8.280 nan 0.000 0.521 690 L N 4.040 125.190 121.223 -0.122 0.000 2.275 690 L HA 0.351 4.695 4.340 0.007 0.000 0.288 690 L C -1.239 175.466 176.870 -0.275 0.000 1.046 690 L CA -0.141 54.658 54.840 -0.069 0.000 0.805 690 L CB 0.108 42.151 42.059 -0.027 0.000 1.193 690 L HN 0.358 nan 8.230 nan 0.000 0.426 691 F N 3.951 123.922 119.950 0.035 0.000 2.427 691 F HA 0.373 4.904 4.527 0.007 0.000 0.348 691 F C 0.765 176.547 175.800 -0.031 0.000 1.125 691 F CA -0.881 57.124 58.000 0.009 0.000 0.989 691 F CB 0.825 39.816 39.000 -0.016 0.000 1.165 691 F HN 0.589 nan 8.300 nan 0.000 0.442 692 N N 2.412 121.176 118.700 0.106 0.000 2.669 692 N HA -0.238 4.506 4.740 0.007 0.000 0.266 692 N C -0.823 174.682 175.510 -0.010 0.000 1.024 692 N CA 0.059 53.132 53.050 0.039 0.000 0.766 692 N CB -0.527 37.977 38.487 0.027 0.000 0.898 692 N HN 0.522 nan 8.380 nan 0.000 0.548 693 L N 1.233 122.457 121.223 0.001 0.000 2.385 693 L HA 0.083 4.427 4.340 0.007 0.000 0.281 693 L C 0.754 177.613 176.870 -0.019 0.000 1.106 693 L CA 0.037 54.871 54.840 -0.009 0.000 0.856 693 L CB 0.331 42.400 42.059 0.017 0.000 1.186 693 L HN 0.359 nan 8.230 nan 0.000 0.453 694 Q N 2.324 122.080 119.800 -0.073 0.000 2.368 694 Q HA 0.035 4.379 4.340 0.007 0.000 0.237 694 Q C -0.420 175.632 176.000 0.087 0.000 0.987 694 Q CA -0.483 55.297 55.803 -0.039 0.000 0.896 694 Q CB 1.024 29.648 28.738 -0.189 0.000 1.241 694 Q HN 0.503 nan 8.270 nan 0.000 0.485 695 D N -0.278 120.177 120.400 0.092 0.000 2.434 695 D HA 0.147 4.791 4.640 0.007 0.000 0.252 695 D C 0.750 177.133 176.300 0.139 0.000 1.185 695 D CA 1.671 55.726 54.000 0.092 0.000 0.886 695 D CB 0.182 41.017 40.800 0.059 0.000 1.148 695 D HN 0.666 nan 8.370 nan 0.000 0.483 696 G N 3.431 112.285 108.800 0.090 0.000 2.234 696 G HA2 -0.219 3.745 3.960 0.007 0.000 0.235 696 G HA3 -0.219 3.745 3.960 0.007 0.000 0.235 696 G C 0.490 175.374 174.900 -0.026 0.000 0.997 696 G CA 0.121 45.235 45.100 0.023 0.000 0.623 696 G HN 0.696 nan 8.290 nan 0.000 0.514 697 H N 0.855 119.922 119.070 -0.006 0.000 2.509 697 H HA 0.583 5.143 4.556 0.007 0.000 0.359 697 H C -0.227 175.094 175.328 -0.012 0.000 1.253 697 H CA 0.445 56.488 56.048 -0.009 0.000 1.373 697 H CB 1.526 31.282 29.762 -0.009 0.000 1.555 697 H HN 0.440 nan 8.280 nan 0.000 0.586 698 E N 0.607 120.871 120.200 0.107 0.000 2.246 698 E HA 0.506 4.860 4.350 0.007 0.000 0.266 698 E C -1.736 174.890 176.600 0.044 0.000 0.880 698 E CA -1.010 55.418 56.400 0.046 0.000 0.762 698 E CB 1.683 31.385 29.700 0.003 0.000 1.180 698 E HN 0.677 nan 8.360 nan 0.000 0.416 699 A N 3.621 126.457 122.820 0.026 0.000 2.292 699 A HA 0.597 4.921 4.320 0.007 0.000 0.319 699 A C -0.869 176.708 177.584 -0.012 0.000 1.206 699 A CA -0.571 51.477 52.037 0.019 0.000 0.835 699 A CB 1.288 20.310 19.000 0.035 0.000 1.164 699 A HN 0.365 nan 8.150 nan 0.000 0.505 700 V N 1.518 121.425 119.914 -0.011 0.000 2.540 700 V HA 0.517 4.641 4.120 0.007 0.000 0.302 700 V C -0.442 175.647 176.094 -0.009 0.000 1.035 700 V CA -0.568 61.709 62.300 -0.039 0.000 0.873 700 V CB 1.392 33.188 31.823 -0.045 0.000 0.992 700 V HN 1.061 nan 8.190 nan 0.000 0.428 701 C N 4.692 123.973 119.300 -0.031 0.000 2.431 701 C HA 0.663 5.127 4.460 0.007 0.000 0.321 701 C C -0.403 174.604 174.990 0.027 0.000 1.202 701 C CA -0.356 58.696 59.018 0.056 0.000 1.398 701 C CB 0.720 28.558 27.740 0.162 0.000 2.047 701 C HN 1.004 nan 8.230 nan 0.000 0.465 702 E N 4.157 124.395 120.200 0.063 0.000 2.155 702 E HA 0.440 4.794 4.350 0.007 0.000 0.264 702 E C -0.924 175.743 176.600 0.112 0.000 0.886 702 E CA -0.442 55.986 56.400 0.046 0.000 0.752 702 E CB 1.914 31.616 29.700 0.002 0.000 1.133 702 E HN 0.558 nan 8.360 nan 0.000 0.414 703 V N 5.673 125.702 119.914 0.192 0.000 2.432 703 V HA 0.263 4.387 4.120 0.007 0.000 0.275 703 V C -1.888 174.321 176.094 0.193 0.000 1.043 703 V CA -1.626 60.808 62.300 0.224 0.000 0.925 703 V CB 0.850 32.890 31.823 0.361 0.000 0.985 703 V HN 0.583 nan 8.190 nan 0.000 0.466 704 P HA 0.439 nan 4.420 nan 0.000 0.284 704 P C -0.538 177.008 177.300 0.409 0.000 1.258 704 P CA -0.344 62.896 63.100 0.233 0.000 0.824 704 P CB 1.664 33.477 31.700 0.187 0.000 1.038 705 A N 2.224 125.226 122.820 0.303 0.000 2.249 705 A HA 0.507 4.831 4.320 0.007 0.000 0.281 705 A C 1.716 179.528 177.584 0.379 0.000 1.127 705 A CA 0.222 52.420 52.037 0.268 0.000 0.833 705 A CB -0.635 18.434 19.000 0.115 0.000 1.140 705 A HN 0.513 nan 8.150 nan 0.000 0.502 706 A N -0.486 122.421 122.820 0.144 0.000 2.070 706 A HA -0.072 4.252 4.320 0.007 0.000 0.220 706 A C 1.093 178.849 177.584 0.287 0.000 1.159 706 A CA 1.967 54.045 52.037 0.068 0.000 0.656 706 A CB -0.721 18.194 19.000 -0.142 0.000 0.800 706 A HN 0.818 nan 8.150 nan 0.000 0.453 707 D N -2.959 117.594 120.400 0.255 0.000 2.342 707 D HA 0.347 4.991 4.640 0.007 0.000 0.221 707 D C 1.136 177.577 176.300 0.234 0.000 1.101 707 D CA 0.801 54.942 54.000 0.236 0.000 0.837 707 D CB -0.241 40.638 40.800 0.132 0.000 0.938 707 D HN 0.583 nan 8.370 nan 0.000 0.508 708 G N 0.367 109.360 108.800 0.322 0.000 2.284 708 G HA2 -0.312 3.652 3.960 0.007 0.000 0.230 708 G HA3 -0.312 3.652 3.960 0.007 0.000 0.230 708 G C 0.575 175.531 174.900 0.094 0.000 1.021 708 G CA 0.214 45.400 45.100 0.143 0.000 0.619 708 G HN 0.813 nan 8.290 nan 0.000 0.510 709 S N 0.172 115.932 115.700 0.099 0.000 2.573 709 S HA 0.501 4.975 4.470 0.007 0.000 0.277 709 S C 0.529 175.172 174.600 0.071 0.000 1.346 709 S CA -0.013 58.224 58.200 0.062 0.000 1.034 709 S CB 1.913 65.144 63.200 0.051 0.000 0.879 709 S HN 1.183 nan 8.310 nan 0.000 0.528 710 V N 3.343 123.281 119.914 0.041 0.000 2.446 710 V HA 0.133 4.257 4.120 0.007 0.000 0.276 710 V C 1.137 177.259 176.094 0.046 0.000 1.030 710 V CA 0.045 62.370 62.300 0.043 0.000 1.033 710 V CB 0.162 31.989 31.823 0.008 0.000 0.993 710 V HN 0.977 nan 8.190 nan 0.000 0.477 711 I N 4.365 124.979 120.570 0.074 0.000 3.645 711 I HA 0.318 4.492 4.170 0.007 0.000 0.300 711 I C 0.012 176.218 176.117 0.148 0.000 1.260 711 I CA 0.472 61.797 61.300 0.043 0.000 1.365 711 I CB 0.478 38.429 38.000 -0.080 0.000 1.077 711 I HN 0.584 nan 8.210 nan 0.000 0.439 712 F N -0.133 119.812 119.950 -0.009 0.000 2.635 712 F HA 0.373 4.904 4.527 0.007 0.000 0.314 712 F C -1.248 174.538 175.800 -0.022 0.000 1.119 712 F CA -0.434 57.560 58.000 -0.011 0.000 1.000 712 F CB 1.465 40.478 39.000 0.022 0.000 1.278 712 F HN -0.396 nan 8.300 nan 0.000 0.446 713 T N 6.721 120.792 114.554 -0.805 0.000 2.812 713 T HA 0.653 5.007 4.350 0.007 0.000 0.282 713 T C -1.621 172.496 174.700 -0.971 0.000 0.990 713 T CA -0.462 61.264 62.100 -0.623 0.000 0.960 713 T CB 1.543 70.198 68.868 -0.355 0.000 0.948 713 T HN 0.568 nan 8.240 nan 0.000 0.438 714 L N 3.522 124.335 121.223 -0.684 0.000 2.362 714 L HA 0.622 4.966 4.340 0.007 0.000 0.275 714 L C -0.957 175.698 176.870 -0.359 0.000 0.998 714 L CA -0.366 54.088 54.840 -0.643 0.000 0.820 714 L CB 1.219 42.740 42.059 -0.896 0.000 1.270 714 L HN 0.504 nan 8.230 nan 0.000 0.415 715 K N 4.342 124.584 120.400 -0.265 0.000 2.378 715 K HA 0.862 5.186 4.320 0.007 0.000 0.252 715 K C -1.326 175.212 176.600 -0.103 0.000 0.931 715 K CA -0.832 55.364 56.287 -0.151 0.000 0.794 715 K CB 2.212 34.639 32.500 -0.121 0.000 1.181 715 K HN 0.616 nan 8.250 nan 0.000 0.425 716 A N 1.649 124.432 122.820 -0.062 0.000 2.319 716 A HA 0.735 5.059 4.320 0.007 0.000 0.310 716 A C -1.070 176.510 177.584 -0.007 0.000 1.152 716 A CA -0.674 51.347 52.037 -0.027 0.000 0.783 716 A CB 1.281 20.272 19.000 -0.015 0.000 1.184 716 A HN 0.716 nan 8.150 nan 0.000 0.474 717 A N 2.745 125.564 122.820 -0.002 0.000 2.304 717 A HA 0.708 5.032 4.320 0.007 0.000 0.314 717 A C 0.001 177.595 177.584 0.017 0.000 1.187 717 A CA -0.628 51.414 52.037 0.008 0.000 0.810 717 A CB 0.580 19.577 19.000 -0.004 0.000 1.183 717 A HN 0.858 nan 8.150 nan 0.000 0.487 718 R N 1.934 122.453 120.500 0.032 0.000 2.221 718 R HA 0.377 4.721 4.340 0.007 0.000 0.327 718 R C 0.905 177.221 176.300 0.028 0.000 1.033 718 R CA 0.436 56.556 56.100 0.033 0.000 0.887 718 R CB 0.980 31.307 30.300 0.045 0.000 1.057 718 R HN 0.826 nan 8.270 nan 0.000 0.455 719 T N 1.040 115.605 114.554 0.019 0.000 2.988 719 T HA 0.259 4.613 4.350 0.007 0.000 0.240 719 T C 0.831 175.540 174.700 0.016 0.000 1.014 719 T CA 1.098 63.206 62.100 0.014 0.000 1.155 719 T CB 0.226 69.098 68.868 0.007 0.000 0.872 719 T HN 0.688 nan 8.240 nan 0.000 0.440 720 G N 0.353 109.162 108.800 0.016 0.000 2.673 720 G HA2 0.221 4.185 3.960 0.007 0.000 0.185 720 G HA3 0.221 4.185 3.960 0.007 0.000 0.185 720 G C 0.469 175.380 174.900 0.018 0.000 1.731 720 G CA -0.104 45.005 45.100 0.017 0.000 0.788 720 G HN 0.307 nan 8.290 nan 0.000 0.793 721 N N 1.008 119.717 118.700 0.014 0.000 2.268 721 N HA 0.235 4.979 4.740 0.007 0.000 0.204 721 N C -0.494 175.024 175.510 0.013 0.000 1.124 721 N CA 0.142 53.200 53.050 0.014 0.000 0.838 721 N CB 0.749 39.243 38.487 0.012 0.000 0.994 721 N HN 0.204 nan 8.380 nan 0.000 0.489 722 T N 1.669 116.231 114.554 0.013 0.000 2.794 722 T HA 0.530 4.884 4.350 0.007 0.000 0.280 722 T C 0.286 174.995 174.700 0.014 0.000 0.987 722 T CA -0.650 61.457 62.100 0.012 0.000 0.993 722 T CB 1.433 70.307 68.868 0.010 0.000 0.939 722 T HN 0.053 nan 8.240 nan 0.000 0.449 723 I N -0.044 120.534 120.570 0.015 0.000 2.436 723 I HA 0.564 4.738 4.170 0.007 0.000 0.289 723 I C -0.752 175.374 176.117 0.015 0.000 1.010 723 I CA -0.819 60.490 61.300 0.015 0.000 1.098 723 I CB 1.837 39.847 38.000 0.017 0.000 1.266 723 I HN 0.365 nan 8.210 nan 0.000 0.434 724 T N 5.878 120.439 114.554 0.012 0.000 2.733 724 T HA 0.425 4.779 4.350 0.007 0.000 0.294 724 T C 0.085 174.791 174.700 0.010 0.000 0.956 724 T CA -0.372 61.736 62.100 0.012 0.000 0.987 724 T CB 1.531 70.403 68.868 0.006 0.000 0.920 724 T HN 0.438 nan 8.240 nan 0.000 0.470 725 V N 5.087 125.017 119.914 0.026 0.000 2.350 725 V HA 0.521 4.645 4.120 0.007 0.000 0.276 725 V C 0.539 176.658 176.094 0.042 0.000 1.028 725 V CA -0.802 61.515 62.300 0.029 0.000 0.860 725 V CB 0.915 32.783 31.823 0.076 0.000 0.990 725 V HN 1.072 nan 8.190 nan 0.000 0.453 726 T N 1.600 116.146 114.554 -0.014 0.000 2.824 726 T HA 0.777 5.131 4.350 0.007 0.000 0.282 726 T C 0.059 174.694 174.700 -0.108 0.000 0.993 726 T CA -0.500 61.592 62.100 -0.013 0.000 0.967 726 T CB 1.763 70.615 68.868 -0.027 0.000 0.960 726 T HN 0.797 nan 8.240 nan 0.000 0.441 727 G N 0.773 109.548 108.800 -0.043 0.000 2.441 727 G HA2 0.771 4.735 3.960 0.007 0.000 0.334 727 G HA3 0.771 4.735 3.960 0.007 0.000 0.334 727 G C -1.010 173.771 174.900 -0.198 0.000 1.161 727 G CA -0.996 43.939 45.100 -0.274 0.000 0.935 727 G HN 1.234 nan 8.290 nan 0.000 0.488 728 A N -0.254 122.288 122.820 -0.463 0.000 2.459 728 A HA 0.983 5.307 4.320 0.007 0.000 0.296 728 A C 0.327 177.856 177.584 -0.091 0.000 1.039 728 A CA 0.492 52.432 52.037 -0.163 0.000 0.698 728 A CB 1.244 20.152 19.000 -0.153 0.000 1.261 728 A HN 2.613 nan 8.150 nan 0.000 0.405 729 G N 0.667 109.555 108.800 0.148 0.000 2.384 729 G HA2 0.188 4.152 3.960 0.007 0.000 0.200 729 G HA3 0.188 4.152 3.960 0.007 0.000 0.200 729 G C -0.464 174.650 174.900 0.357 0.000 1.205 729 G CA 0.019 45.253 45.100 0.224 0.000 1.116 729 G HN 1.270 nan 8.290 nan 0.000 0.547 730 E N 0.448 120.836 120.200 0.312 0.000 2.185 730 E HA 0.646 5.000 4.350 0.007 0.000 0.261 730 E C -0.269 176.379 176.600 0.080 0.000 0.879 730 E CA -0.182 56.317 56.400 0.166 0.000 0.756 730 E CB 1.071 30.799 29.700 0.048 0.000 1.152 730 E HN 1.609 nan 8.360 nan 0.000 0.416 731 A N 4.197 126.994 122.820 -0.038 0.000 2.606 731 A HA 0.697 5.021 4.320 0.007 0.000 0.293 731 A C -1.496 176.153 177.584 0.108 0.000 1.082 731 A CA -0.867 51.100 52.037 -0.117 0.000 0.685 731 A CB 1.806 20.218 19.000 -0.980 0.000 1.284 731 A HN 0.529 nan 8.150 nan 0.000 0.408 732 K N 0.451 120.957 120.400 0.175 0.000 2.422 732 K HA 0.551 4.875 4.320 0.007 0.000 0.251 732 K C -0.424 176.260 176.600 0.139 0.000 0.933 732 K CA -0.491 55.875 56.287 0.132 0.000 0.798 732 K CB 1.441 33.980 32.500 0.065 0.000 1.238 732 K HN 0.776 nan 8.250 nan 0.000 0.428 733 N N 1.425 120.136 118.700 0.019 0.000 2.716 733 N HA -0.188 4.556 4.740 0.007 0.000 0.250 733 N C -0.861 174.689 175.510 0.067 0.000 1.033 733 N CA 0.668 53.704 53.050 -0.023 0.000 0.727 733 N CB -0.651 37.833 38.487 -0.005 0.000 0.950 733 N HN 0.524 nan 8.380 nan 0.000 0.541 734 W N 0.373 121.692 121.300 0.031 0.000 2.359 734 W HA 0.630 5.295 4.660 0.007 0.000 0.344 734 W C 0.354 176.943 176.519 0.118 0.000 1.170 734 W CA -0.273 57.130 57.345 0.097 0.000 1.296 734 W CB 0.241 29.852 29.460 0.252 0.000 1.197 734 W HN 0.012 nan 8.180 nan 0.000 0.618 735 T N -0.005 114.840 114.554 0.485 0.000 2.916 735 T HA 0.617 4.971 4.350 0.007 0.000 0.292 735 T C -1.185 173.811 174.700 0.494 0.000 1.064 735 T CA -1.038 61.253 62.100 0.319 0.000 1.011 735 T CB 2.225 71.163 68.868 0.117 0.000 1.152 735 T HN 0.521 nan 8.240 nan 0.000 0.510 736 L N 1.550 122.957 121.223 0.307 0.000 2.349 736 L HA 0.561 4.905 4.340 0.007 0.000 0.278 736 L C -0.837 176.044 176.870 0.018 0.000 0.996 736 L CA -0.666 54.313 54.840 0.231 0.000 0.825 736 L CB 0.934 43.157 42.059 0.273 0.000 1.243 736 L HN 1.104 nan 8.230 nan 0.000 0.412 737 C N 6.678 125.885 119.300 -0.154 0.000 2.285 737 C HA 0.457 4.921 4.460 0.007 0.000 0.335 737 C C 0.442 175.350 174.990 -0.137 0.000 1.267 737 C CA -0.737 58.166 59.018 -0.191 0.000 1.762 737 C CB -0.283 27.237 27.740 -0.366 0.000 2.365 737 C HN 0.709 nan 8.230 nan 0.000 0.527 738 L N 8.016 129.192 121.223 -0.077 0.000 2.356 738 L HA 0.369 4.713 4.340 0.007 0.000 0.282 738 L C 0.716 177.537 176.870 -0.081 0.000 1.132 738 L CA -0.107 54.691 54.840 -0.071 0.000 0.923 738 L CB -0.355 41.686 42.059 -0.030 0.000 1.278 738 L HN 0.563 nan 8.230 nan 0.000 0.436 739 R N 3.699 124.104 120.500 -0.159 0.000 2.449 739 R HA 0.019 4.363 4.340 0.007 0.000 0.296 739 R C 0.576 176.853 176.300 -0.039 0.000 1.047 739 R CA 0.041 56.058 56.100 -0.139 0.000 1.018 739 R CB 0.257 30.333 30.300 -0.374 0.000 0.962 739 R HN 0.629 nan 8.270 nan 0.000 0.428 740 N N 0.151 118.857 118.700 0.010 0.000 2.741 740 N HA -0.176 4.568 4.740 0.007 0.000 0.251 740 N C -0.996 174.528 175.510 0.022 0.000 1.112 740 N CA 0.836 53.906 53.050 0.034 0.000 0.750 740 N CB -0.631 37.891 38.487 0.057 0.000 1.119 740 N HN 0.228 nan 8.380 nan 0.000 0.561 741 V N 1.685 121.605 119.914 0.009 0.000 2.313 741 V HA 0.194 4.318 4.120 0.007 0.000 0.278 741 V C 1.633 177.733 176.094 0.011 0.000 1.017 741 V CA -0.354 61.951 62.300 0.009 0.000 0.823 741 V CB 1.672 33.495 31.823 0.001 0.000 1.010 741 V HN 0.101 nan 8.190 nan 0.000 0.443 742 V N 2.410 122.333 119.914 0.015 0.000 2.446 742 V HA 0.225 4.349 4.120 0.007 0.000 0.244 742 V C 0.764 176.866 176.094 0.012 0.000 1.039 742 V CA 0.934 63.244 62.300 0.016 0.000 1.045 742 V CB -0.316 31.518 31.823 0.019 0.000 0.681 742 V HN 0.667 nan 8.190 nan 0.000 0.459 743 K N -0.816 119.591 120.400 0.011 0.000 2.426 743 K HA 0.708 5.032 4.320 0.007 0.000 0.251 743 K C -1.887 174.718 176.600 0.008 0.000 0.941 743 K CA -0.593 55.700 56.287 0.009 0.000 0.808 743 K CB 2.970 35.476 32.500 0.010 0.000 1.265 743 K HN 0.044 nan 8.250 nan 0.000 0.432 744 V N 2.911 122.829 119.914 0.007 0.000 2.823 744 V HA 0.195 4.319 4.120 0.007 0.000 0.312 744 V C 0.481 176.579 176.094 0.006 0.000 1.072 744 V CA -0.618 61.686 62.300 0.007 0.000 0.937 744 V CB 1.904 33.730 31.823 0.006 0.000 1.013 744 V HN 1.015 nan 8.190 nan 0.000 0.430 745 N N 3.014 121.717 118.700 0.006 0.000 2.083 745 N HA 0.127 4.871 4.740 0.007 0.000 0.190 745 N C 0.587 176.100 175.510 0.005 0.000 1.047 745 N CA 1.502 54.555 53.050 0.006 0.000 0.845 745 N CB -0.107 38.384 38.487 0.006 0.000 1.025 745 N HN 0.811 nan 8.380 nan 0.000 0.428 746 G N -0.492 108.311 108.800 0.005 0.000 2.482 746 G HA2 0.599 4.564 3.960 0.007 0.000 0.317 746 G HA3 0.599 4.564 3.960 0.007 0.000 0.317 746 G C -1.743 173.159 174.900 0.004 0.000 1.241 746 G CA -0.514 44.589 45.100 0.004 0.000 0.967 746 G HN 0.247 nan 8.290 nan 0.000 0.482 747 L N 1.872 123.096 121.223 0.002 0.000 2.529 747 L HA 0.332 4.676 4.340 0.007 0.000 0.260 747 L C -0.747 176.123 176.870 -0.001 0.000 0.997 747 L CA -0.757 54.083 54.840 0.001 0.000 0.885 747 L CB 1.599 43.657 42.059 -0.002 0.000 1.185 747 L HN 0.467 nan 8.230 nan 0.000 0.442 748 Q N 3.894 123.695 119.800 0.002 0.000 2.390 748 Q HA 0.269 4.613 4.340 0.007 0.000 0.249 748 Q C -0.746 175.254 176.000 -0.001 0.000 0.996 748 Q CA -0.336 55.468 55.803 0.001 0.000 0.899 748 Q CB 1.448 30.188 28.738 0.004 0.000 1.216 748 Q HN 0.558 nan 8.270 nan 0.000 0.465 749 D N 1.183 121.578 120.400 -0.008 0.000 2.924 749 D HA -0.085 4.559 4.640 0.007 0.000 0.224 749 D C -0.319 175.962 176.300 -0.032 0.000 1.080 749 D CA 1.209 55.200 54.000 -0.016 0.000 0.781 749 D CB -0.864 39.931 40.800 -0.007 0.000 1.087 749 D HN 0.851 nan 8.370 nan 0.000 0.441 750 G N -0.900 107.880 108.800 -0.034 0.000 2.623 750 G HA2 0.586 4.551 3.960 0.007 0.000 0.290 750 G HA3 0.586 4.551 3.960 0.007 0.000 0.290 750 G C -0.453 174.422 174.900 -0.041 0.000 1.437 750 G CA 0.225 45.294 45.100 -0.052 0.000 0.798 750 G HN 0.338 nan 8.290 nan 0.000 0.488 751 S N -1.156 114.515 115.700 -0.049 0.000 2.730 751 S HA 0.796 5.270 4.470 0.007 0.000 0.284 751 S C -0.290 174.293 174.600 -0.028 0.000 1.153 751 S CA -0.305 57.874 58.200 -0.036 0.000 0.995 751 S CB 1.725 64.901 63.200 -0.039 0.000 1.058 751 S HN 1.177 nan 8.310 nan 0.000 0.552 752 Q N -0.072 119.717 119.800 -0.019 0.000 2.345 752 Q HA 0.761 5.105 4.340 0.007 0.000 0.275 752 Q C -1.568 174.427 176.000 -0.008 0.000 1.063 752 Q CA -1.414 54.382 55.803 -0.012 0.000 0.819 752 Q CB 1.964 30.698 28.738 -0.007 0.000 1.356 752 Q HN 1.017 nan 8.270 nan 0.000 0.418 753 A N 1.939 124.757 122.820 -0.004 0.000 2.486 753 A HA 0.549 4.873 4.320 0.007 0.000 0.300 753 A C -1.102 176.486 177.584 0.006 0.000 1.048 753 A CA -0.733 51.305 52.037 0.001 0.000 0.696 753 A CB 1.812 20.812 19.000 0.000 0.000 1.278 753 A HN 0.814 nan 8.150 nan 0.000 0.405 754 E N 0.579 120.784 120.200 0.009 0.000 2.418 754 E HA 0.422 4.777 4.350 0.007 0.000 0.261 754 E C 0.488 177.101 176.600 0.021 0.000 1.070 754 E CA 0.943 57.352 56.400 0.015 0.000 0.931 754 E CB 0.630 30.340 29.700 0.016 0.000 0.954 754 E HN 0.827 nan 8.360 nan 0.000 0.439 755 S N 0.235 115.952 115.700 0.028 0.000 2.638 755 S HA 0.148 4.622 4.470 0.007 0.000 0.274 755 S C 0.530 175.160 174.600 0.049 0.000 1.157 755 S CA -0.652 57.572 58.200 0.040 0.000 0.826 755 S CB 1.218 64.446 63.200 0.047 0.000 1.139 755 S HN 0.637 nan 8.310 nan 0.000 0.474 756 E N 0.145 120.381 120.200 0.061 0.000 2.401 756 E HA -0.156 4.198 4.350 0.007 0.000 0.199 756 E C 0.950 177.597 176.600 0.079 0.000 1.023 756 E CA 1.044 57.485 56.400 0.068 0.000 0.859 756 E CB -0.425 29.323 29.700 0.079 0.000 0.780 756 E HN 0.737 nan 8.360 nan 0.000 0.523 757 Q N 0.306 120.156 119.800 0.083 0.000 2.189 757 Q HA 0.313 4.657 4.340 0.007 0.000 0.223 757 Q C 0.361 176.396 176.000 0.059 0.000 0.828 757 Q CA 0.190 56.048 55.803 0.092 0.000 0.967 757 Q CB 1.936 30.754 28.738 0.133 0.000 1.139 757 Q HN 0.299 nan 8.270 nan 0.000 0.497 758 G N 0.978 109.803 108.800 0.043 0.000 2.351 758 G HA2 -0.001 3.963 3.960 0.007 0.000 0.353 758 G HA3 -0.001 3.963 3.960 0.007 0.000 0.353 758 G C -1.915 172.991 174.900 0.011 0.000 1.358 758 G CA -1.188 43.923 45.100 0.019 0.000 0.995 758 G HN 0.010 nan 8.290 nan 0.000 0.611 759 L N 0.366 121.590 121.223 0.002 0.000 2.513 759 L HA 0.477 4.821 4.340 0.007 0.000 0.272 759 L C 0.626 177.491 176.870 -0.009 0.000 1.187 759 L CA 0.115 54.956 54.840 0.000 0.000 0.895 759 L CB 0.992 43.052 42.059 0.000 0.000 1.147 759 L HN 0.502 nan 8.230 nan 0.000 0.483 760 V N 6.381 126.292 119.914 -0.005 0.000 2.364 760 V HA 0.324 4.448 4.120 0.007 0.000 0.272 760 V C 0.049 176.142 176.094 -0.003 0.000 1.036 760 V CA -0.687 61.609 62.300 -0.008 0.000 0.880 760 V CB 1.328 33.149 31.823 -0.004 0.000 0.991 760 V HN 0.461 nan 8.190 nan 0.000 0.460 761 V N 4.941 124.858 119.914 0.006 0.000 2.481 761 V HA 0.498 4.622 4.120 0.007 0.000 0.286 761 V C 0.022 176.104 176.094 -0.019 0.000 1.042 761 V CA -0.743 61.557 62.300 -0.001 0.000 0.928 761 V CB 1.834 33.667 31.823 0.016 0.000 0.986 761 V HN 0.904 nan 8.190 nan 0.000 0.462 762 K N 7.773 128.133 120.400 -0.067 0.000 2.394 762 K HA 0.552 4.876 4.320 0.007 0.000 0.260 762 K C -2.689 173.783 176.600 -0.213 0.000 0.967 762 K CA -1.830 54.368 56.287 -0.148 0.000 0.855 762 K CB 1.982 34.411 32.500 -0.119 0.000 1.101 762 K HN 0.383 nan 8.250 nan 0.000 0.433 763 P HA 0.089 nan 4.420 nan 0.000 0.274 763 P C -0.455 176.680 177.300 -0.274 0.000 1.237 763 P CA -0.203 62.690 63.100 -0.345 0.000 0.793 763 P CB 1.226 32.535 31.700 -0.651 0.000 0.977 764 Q N 0.102 119.809 119.800 -0.156 0.000 2.339 764 Q HA 0.210 4.554 4.340 0.007 0.000 0.205 764 Q C 1.141 177.092 176.000 -0.081 0.000 0.925 764 Q CA 0.937 56.675 55.803 -0.108 0.000 0.898 764 Q CB 0.383 29.085 28.738 -0.061 0.000 1.013 764 Q HN 0.733 nan 8.270 nan 0.000 0.504 765 G N 0.692 109.461 108.800 -0.051 0.000 2.871 765 G HA2 0.144 4.108 3.960 0.007 0.000 0.282 765 G HA3 0.144 4.108 3.960 0.007 0.000 0.282 765 G C -0.493 174.484 174.900 0.129 0.000 1.212 765 G CA -0.296 44.818 45.100 0.023 0.000 0.812 765 G HN 0.223 nan 8.290 nan 0.000 0.547 766 N N -0.109 118.705 118.700 0.190 0.000 2.501 766 N HA 0.444 5.188 4.740 0.007 0.000 0.195 766 N C 0.107 175.732 175.510 0.191 0.000 1.213 766 N CA 0.782 53.997 53.050 0.275 0.000 0.864 766 N CB 0.695 39.318 38.487 0.227 0.000 0.999 766 N HN 0.751 nan 8.380 nan 0.000 0.454 767 A N 0.671 123.575 122.820 0.140 0.000 2.667 767 A HA 0.486 4.810 4.320 0.007 0.000 0.291 767 A C -1.243 176.382 177.584 0.068 0.000 1.123 767 A CA -0.840 51.251 52.037 0.090 0.000 0.832 767 A CB 0.315 19.350 19.000 0.058 0.000 1.396 767 A HN 0.207 nan 8.150 nan 0.000 0.401 768 L N 1.225 122.494 121.223 0.077 0.000 2.346 768 L HA 0.853 5.197 4.340 0.007 0.000 0.274 768 L C 0.269 177.163 176.870 0.040 0.000 1.007 768 L CA -0.738 54.133 54.840 0.051 0.000 0.818 768 L CB 2.121 44.216 42.059 0.059 0.000 1.284 768 L HN 0.573 nan 8.230 nan 0.000 0.424 769 T N 2.237 116.806 114.554 0.026 0.000 2.856 769 T HA 0.775 5.129 4.350 0.007 0.000 0.283 769 T C -0.822 173.888 174.700 0.017 0.000 1.008 769 T CA -0.351 61.761 62.100 0.020 0.000 0.997 769 T CB 1.226 70.103 68.868 0.015 0.000 0.992 769 T HN 0.452 nan 8.240 nan 0.000 0.454 770 I N 2.943 123.523 120.570 0.017 0.000 2.545 770 I HA 0.399 4.573 4.170 0.007 0.000 0.292 770 I C -0.231 175.893 176.117 0.012 0.000 1.040 770 I CA -0.723 60.585 61.300 0.014 0.000 1.068 770 I CB 2.763 40.773 38.000 0.017 0.000 1.251 770 I HN 0.617 nan 8.210 nan 0.000 0.424 771 T N 6.425 120.985 114.554 0.010 0.000 2.791 771 T HA 0.496 4.850 4.350 0.007 0.000 0.288 771 T C -0.105 174.600 174.700 0.009 0.000 0.999 771 T CA -0.505 61.600 62.100 0.009 0.000 0.952 771 T CB 0.690 69.563 68.868 0.008 0.000 0.938 771 T HN 0.257 nan 8.240 nan 0.000 0.444 772 L N 3.406 124.634 121.223 0.010 0.000 2.456 772 L HA 0.344 4.689 4.340 0.007 0.000 0.272 772 L C 1.896 178.771 176.870 0.009 0.000 1.189 772 L CA -0.378 54.468 54.840 0.010 0.000 0.846 772 L CB -0.025 42.041 42.059 0.011 0.000 1.111 772 L HN 0.983 nan 8.230 nan 0.000 0.475 773 H N 0.000 119.076 119.070 0.009 0.000 2.539 773 H HA 0.000 4.560 4.556 0.007 0.000 0.296 773 H CA 0.000 56.053 56.048 0.009 0.000 1.023 773 H CB 0.000 29.767 29.762 0.009 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496