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 1xsi_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKISDGNWLI QPGLNLIHPL QVFEVEQQDN EMVVYAAPRD VRERTWQLDT DATA SEQUENCE PLFTLRFFSP QEGIVGVRIE HFQGALNNGP HYPLNILQDV KVTIENTERY DATA SEQUENCE AEFKSGNLSA RVSKGEFWSL DFLRNGERIT GSQVKNNGYV QDTNNQRNYM DATA SEQUENCE FERLDLGVGE TVYGLGERFT ALVRNGQTVE TWNRDGGTST EQAYKNIPFY DATA SEQUENCE MTNRGYGVLV NHPQCVSFEV GSEKVSKVQF SVESEYLEYF VIDGPTPKAV DATA SEQUENCE LDRYTRFTGR PALPPAWSFG LWLTTSFTTN YDEATVNSFI DGMAERNLPL DATA SEQUENCE HVFHFDCFWM KAFQWCDFEW DPLTFPDPEG MIRRLKAKGL KICVWINPYI DATA SEQUENCE GQKSPVFKEL QEKGYLLKRP DGSLWQWDKW QPGLAIYDFT NPDACKWYAD DATA SEQUENCE KLKGLVAMGV DCFKTDFGER IPTDVQWFDG SDPQKMHNHY AYIYNELVWN DATA SEQUENCE VLKDTVGEEE AVLFARSASV GAQKFPVHWG GDCYANYESM AESLRGGLSI DATA SEQUENCE GLSGFGFWSH DIGGFENTAP AHVYKRWCAF GLLSSHSRLH GSKSYRVPWA DATA SEQUENCE YDDESCDVVR FFTQLKCRMM PYLYREAARA NARGTPMMRA MMMEFPDDPA DATA SEQUENCE CDYLDRQYML GDNVMVAPVF TEAGDVQFYL PEGRWTHLWH NDELDGSRWH DATA SEQUENCE KQQHGFLSLP VYVRDNTLLA LGNNDQRPDY VWHEGTAFHL FNLQDGHEAV DATA SEQUENCE CEVPAADGSV IFTLKAARTG NTITVTGAGE AKNWTLCLRN VVKVNGLQDG DATA SEQUENCE SQAESEQGLV VKPQGNALTI TLH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.156 176.300 -0.240 0.000 1.140 1 M CA 0.000 55.168 55.300 -0.220 0.000 0.988 1 M CB 0.000 32.398 32.600 -0.337 0.000 1.302 2 K N 5.033 125.304 120.400 -0.216 0.000 2.339 2 K HA 0.379 4.699 4.320 0.000 0.000 0.286 2 K C 0.129 176.571 176.600 -0.263 0.000 1.050 2 K CA 0.051 56.213 56.287 -0.207 0.000 0.956 2 K CB 1.008 33.418 32.500 -0.150 0.000 0.990 2 K HN 0.708 nan 8.250 nan 0.000 0.475 3 I N 0.305 120.698 120.570 -0.295 0.000 3.366 3 I HA -0.109 4.061 4.170 0.000 0.000 0.267 3 I C 0.965 176.935 176.117 -0.244 0.000 1.149 3 I CA 0.208 61.298 61.300 -0.351 0.000 1.436 3 I CB 0.145 37.799 38.000 -0.577 0.000 1.379 3 I HN 0.512 nan 8.210 nan 0.000 0.460 4 S N 0.462 116.035 115.700 -0.212 0.000 2.617 4 S HA 0.160 4.630 4.470 0.000 0.000 0.269 4 S C -0.340 174.194 174.600 -0.110 0.000 1.292 4 S CA -0.462 57.653 58.200 -0.142 0.000 1.010 4 S CB 1.534 64.652 63.200 -0.137 0.000 0.944 4 S HN 0.214 nan 8.310 nan 0.000 0.536 5 D N 0.476 120.832 120.400 -0.073 0.000 2.432 5 D HA 0.490 5.130 4.640 0.000 0.000 0.265 5 D C 0.838 177.120 176.300 -0.030 0.000 1.160 5 D CA 0.758 54.730 54.000 -0.047 0.000 0.911 5 D CB 0.012 40.797 40.800 -0.026 0.000 1.052 5 D HN 1.079 nan 8.370 nan 0.000 0.508 6 G N 3.639 112.405 108.800 -0.057 0.000 2.749 6 G HA2 -0.390 3.570 3.960 0.000 0.000 0.242 6 G HA3 -0.390 3.570 3.960 0.000 0.000 0.242 6 G C 0.913 175.711 174.900 -0.170 0.000 1.364 6 G CA 0.159 45.211 45.100 -0.081 0.000 0.888 6 G HN 0.535 nan 8.290 nan 0.000 0.566 7 N N -0.733 117.762 118.700 -0.342 0.000 2.244 7 N HA -0.011 4.729 4.740 0.000 0.000 0.183 7 N C 1.967 177.114 175.510 -0.606 0.000 1.016 7 N CA 2.514 55.191 53.050 -0.622 0.000 0.866 7 N CB -0.137 37.713 38.487 -1.061 0.000 0.980 7 N HN 0.625 nan 8.380 nan 0.000 0.430 8 W N -0.300 120.987 121.300 -0.022 0.000 2.704 8 W HA 0.371 5.031 4.660 0.000 0.000 0.266 8 W C 0.211 176.719 176.519 -0.019 0.000 1.266 8 W CA -0.503 56.831 57.345 -0.018 0.000 1.377 8 W CB 0.332 29.782 29.460 -0.016 0.000 1.082 8 W HN -0.106 nan 8.180 nan 0.000 0.608 9 L N -0.675 120.625 121.223 0.127 0.000 2.250 9 L HA 0.609 4.949 4.340 0.000 0.000 0.252 9 L C -0.540 176.337 176.870 0.012 0.000 1.054 9 L CA -1.332 53.557 54.840 0.080 0.000 0.856 9 L CB 1.801 43.907 42.059 0.078 0.000 1.443 9 L HN -0.352 nan 8.230 nan 0.000 0.427 10 I N -0.122 120.448 120.570 -0.001 0.000 2.646 10 I HA 0.268 4.438 4.170 0.000 0.000 0.299 10 I C -0.435 175.652 176.117 -0.049 0.000 1.036 10 I CA -0.902 60.375 61.300 -0.039 0.000 1.074 10 I CB 1.887 39.869 38.000 -0.030 0.000 1.258 10 I HN 0.482 nan 8.210 nan 0.000 0.430 11 Q N 4.210 123.961 119.800 -0.081 0.000 2.333 11 Q HA 0.100 4.440 4.340 0.000 0.000 0.299 11 Q C -2.274 173.689 176.000 -0.062 0.000 1.067 11 Q CA -1.212 54.544 55.803 -0.079 0.000 0.943 11 Q CB -0.148 28.523 28.738 -0.111 0.000 1.233 11 Q HN 0.218 nan 8.270 nan 0.000 0.401 12 P HA 0.031 nan 4.420 nan 0.000 0.267 12 P C 0.510 177.786 177.300 -0.039 0.000 1.205 12 P CA 0.831 63.910 63.100 -0.035 0.000 0.765 12 P CB 0.407 32.091 31.700 -0.027 0.000 0.828 13 G N 2.245 111.026 108.800 -0.033 0.000 2.157 13 G HA2 -0.212 3.748 3.960 0.000 0.000 0.248 13 G HA3 -0.212 3.748 3.960 0.000 0.000 0.248 13 G C -0.172 174.703 174.900 -0.041 0.000 0.979 13 G CA -0.471 44.611 45.100 -0.030 0.000 0.650 13 G HN 0.458 nan 8.290 nan 0.000 0.529 14 L N 1.073 122.262 121.223 -0.057 0.000 2.264 14 L HA 0.417 4.757 4.340 0.000 0.000 0.289 14 L C -0.489 176.341 176.870 -0.066 0.000 1.044 14 L CA -0.837 53.956 54.840 -0.078 0.000 0.807 14 L CB 1.081 43.071 42.059 -0.115 0.000 1.192 14 L HN 0.016 nan 8.230 nan 0.000 0.425 15 N N 5.190 123.848 118.700 -0.070 0.000 2.425 15 N HA 0.520 5.260 4.740 0.000 0.000 0.268 15 N C -0.744 174.716 175.510 -0.084 0.000 0.991 15 N CA -0.309 52.707 53.050 -0.057 0.000 0.931 15 N CB 2.037 40.502 38.487 -0.037 0.000 1.130 15 N HN 0.425 nan 8.380 nan 0.000 0.493 16 L N 3.035 124.212 121.223 -0.077 0.000 2.329 16 L HA 0.662 5.002 4.340 0.000 0.000 0.279 16 L C 0.174 176.919 176.870 -0.209 0.000 1.014 16 L CA -1.054 53.703 54.840 -0.138 0.000 0.814 16 L CB 1.185 43.173 42.059 -0.117 0.000 1.257 16 L HN 0.411 nan 8.230 nan 0.000 0.424 17 I N -1.440 118.985 120.570 -0.242 0.000 2.730 17 I HA 0.607 4.777 4.170 0.000 0.000 0.298 17 I C -1.014 174.982 176.117 -0.202 0.000 1.089 17 I CA -0.631 60.571 61.300 -0.164 0.000 1.041 17 I CB 2.385 40.402 38.000 0.028 0.000 1.235 17 I HN 0.487 nan 8.210 nan 0.000 0.423 18 H N 2.574 121.728 119.070 0.139 0.000 2.851 18 H HA 0.450 5.006 4.556 0.000 0.000 0.372 18 H C -2.784 172.306 175.328 -0.397 0.000 1.158 18 H CA -1.900 53.995 56.048 -0.255 0.000 1.159 18 H CB 2.456 32.078 29.762 -0.234 0.000 1.757 18 H HN 0.399 nan 8.280 nan 0.000 0.546 19 P HA 0.122 nan 4.420 nan 0.000 0.276 19 P C 0.369 176.983 177.300 -1.143 0.000 1.253 19 P CA 0.018 62.581 63.100 -0.896 0.000 0.766 19 P CB 1.103 32.077 31.700 -1.210 0.000 0.845 20 L N 1.607 122.449 121.223 -0.634 0.000 2.948 20 L HA 0.284 4.624 4.340 0.000 0.000 0.259 20 L C 0.849 177.726 176.870 0.011 0.000 1.136 20 L CA 0.363 55.001 54.840 -0.337 0.000 0.959 20 L CB 0.652 42.640 42.059 -0.117 0.000 1.370 20 L HN 0.416 nan 8.230 nan 0.000 0.552 21 Q N 0.732 120.594 119.800 0.104 0.000 2.281 21 Q HA 0.302 4.642 4.340 0.000 0.000 0.263 21 Q C -1.346 174.898 176.000 0.408 0.000 0.989 21 Q CA -0.313 55.664 55.803 0.290 0.000 0.852 21 Q CB 3.246 32.081 28.738 0.161 0.000 1.337 21 Q HN -0.148 nan 8.270 nan 0.000 0.418 22 V N 5.490 125.695 119.914 0.485 0.000 2.485 22 V HA -0.014 4.106 4.120 0.000 0.000 0.287 22 V C 0.583 176.871 176.094 0.323 0.000 1.022 22 V CA 0.826 63.377 62.300 0.418 0.000 1.067 22 V CB 0.139 32.114 31.823 0.254 0.000 0.967 22 V HN 0.816 nan 8.190 nan 0.000 0.479 23 F N 3.608 123.701 119.950 0.239 0.000 2.274 23 F HA 0.309 4.836 4.527 0.000 0.000 0.288 23 F C 1.029 176.933 175.800 0.173 0.000 1.069 23 F CA 0.815 58.923 58.000 0.180 0.000 1.343 23 F CB 0.525 39.628 39.000 0.171 0.000 1.089 23 F HN 0.538 nan 8.300 nan 0.000 0.517 24 E N 0.306 120.630 120.200 0.206 0.000 2.372 24 E HA 0.470 4.820 4.350 0.000 0.000 0.279 24 E C -1.966 174.817 176.600 0.304 0.000 0.946 24 E CA -0.720 55.751 56.400 0.119 0.000 0.769 24 E CB 2.467 32.236 29.700 0.115 0.000 1.230 24 E HN -0.119 nan 8.360 nan 0.000 0.442 25 V N 2.738 122.760 119.914 0.180 0.000 2.628 25 V HA 0.523 4.643 4.120 0.000 0.000 0.306 25 V C -0.516 175.676 176.094 0.164 0.000 1.045 25 V CA -0.623 61.777 62.300 0.165 0.000 0.905 25 V CB 1.734 33.610 31.823 0.087 0.000 0.997 25 V HN 0.682 nan 8.190 nan 0.000 0.436 26 E N 2.950 123.250 120.200 0.168 0.000 2.278 26 E HA 0.330 4.680 4.350 0.000 0.000 0.272 26 E C -1.223 175.449 176.600 0.120 0.000 0.890 26 E CA -0.636 55.857 56.400 0.156 0.000 0.770 26 E CB 2.166 32.007 29.700 0.235 0.000 1.212 26 E HN 0.748 nan 8.360 nan 0.000 0.415 27 Q N 3.325 123.187 119.800 0.102 0.000 2.295 27 Q HA 0.139 4.479 4.340 0.000 0.000 0.259 27 Q C -0.895 175.160 176.000 0.092 0.000 0.976 27 Q CA -0.005 55.859 55.803 0.101 0.000 0.923 27 Q CB 0.867 29.657 28.738 0.087 0.000 1.185 27 Q HN 0.461 nan 8.270 nan 0.000 0.410 28 Q N 4.291 124.146 119.800 0.092 0.000 2.508 28 Q HA 0.116 4.456 4.340 0.000 0.000 0.247 28 Q C -0.626 175.420 176.000 0.077 0.000 1.047 28 Q CA -0.504 55.343 55.803 0.073 0.000 0.783 28 Q CB 1.064 29.835 28.738 0.055 0.000 1.172 28 Q HN 0.849 nan 8.270 nan 0.000 0.515 29 D N 2.535 122.979 120.400 0.073 0.000 4.072 29 D HA -0.270 4.370 4.640 0.000 0.000 0.146 29 D C 0.357 176.722 176.300 0.107 0.000 0.777 29 D CA 2.377 56.422 54.000 0.075 0.000 1.099 29 D CB -0.684 40.153 40.800 0.062 0.000 0.497 29 D HN 0.730 nan 8.370 nan 0.000 0.483 30 N N 1.898 120.677 118.700 0.132 0.000 2.320 30 N HA 0.140 4.880 4.740 0.000 0.000 0.237 30 N C -0.659 175.054 175.510 0.338 0.000 1.129 30 N CA 0.191 53.359 53.050 0.197 0.000 0.854 30 N CB 0.171 38.756 38.487 0.163 0.000 1.083 30 N HN 0.510 nan 8.380 nan 0.000 0.504 31 E N 0.197 120.556 120.200 0.265 0.000 2.340 31 E HA 0.329 4.679 4.350 0.000 0.000 0.273 31 E C -1.268 175.443 176.600 0.186 0.000 0.891 31 E CA -0.674 55.854 56.400 0.213 0.000 0.757 31 E CB 2.655 32.410 29.700 0.092 0.000 1.231 31 E HN 0.122 nan 8.360 nan 0.000 0.439 32 M N 2.897 122.587 119.600 0.150 0.000 2.243 32 M HA 0.395 4.875 4.480 0.000 0.000 0.324 32 M C -1.796 174.603 176.300 0.165 0.000 1.031 32 M CA -0.775 54.632 55.300 0.177 0.000 0.949 32 M CB 1.306 34.043 32.600 0.228 0.000 1.615 32 M HN 0.271 nan 8.290 nan 0.000 0.430 33 V N 5.644 125.614 119.914 0.093 0.000 2.459 33 V HA 0.550 4.670 4.120 0.000 0.000 0.295 33 V C -0.603 175.472 176.094 -0.032 0.000 1.029 33 V CA -0.718 61.571 62.300 -0.019 0.000 0.874 33 V CB 1.712 33.458 31.823 -0.127 0.000 0.985 33 V HN 0.671 nan 8.190 nan 0.000 0.438 34 V N 5.211 125.118 119.914 -0.011 0.000 2.448 34 V HA 0.461 4.581 4.120 0.000 0.000 0.295 34 V C -1.074 175.008 176.094 -0.019 0.000 1.025 34 V CA -0.780 61.577 62.300 0.093 0.000 0.859 34 V CB 1.600 33.593 31.823 0.283 0.000 0.988 34 V HN 0.744 nan 8.190 nan 0.000 0.431 35 Y N 2.908 123.382 120.300 0.290 0.000 2.341 35 Y HA 0.713 5.263 4.550 0.000 0.000 0.340 35 Y C 0.490 176.608 175.900 0.363 0.000 0.997 35 Y CA -0.451 57.833 58.100 0.305 0.000 1.149 35 Y CB 1.618 40.273 38.460 0.325 0.000 1.171 35 Y HN 0.702 nan 8.280 nan 0.000 0.494 36 A N 2.377 125.463 122.820 0.444 0.000 2.343 36 A HA 0.881 5.201 4.320 0.000 0.000 0.308 36 A C -0.786 176.963 177.584 0.276 0.000 1.092 36 A CA -0.615 51.632 52.037 0.350 0.000 0.751 36 A CB 0.628 19.734 19.000 0.176 0.000 1.203 36 A HN 0.800 nan 8.150 nan 0.000 0.452 37 A N 3.115 126.064 122.820 0.214 0.000 2.282 37 A HA 0.856 5.176 4.320 0.000 0.000 0.319 37 A C -2.192 175.452 177.584 0.100 0.000 1.121 37 A CA -1.735 50.389 52.037 0.145 0.000 0.836 37 A CB 0.675 19.741 19.000 0.110 0.000 1.146 37 A HN 0.511 nan 8.150 nan 0.000 0.494 38 P HA 0.176 nan 4.420 nan 0.000 0.261 38 P C -0.305 177.008 177.300 0.022 0.000 1.352 38 P CA 0.185 63.338 63.100 0.089 0.000 0.891 38 P CB -0.110 31.676 31.700 0.143 0.000 1.383 39 R N -2.705 117.794 120.500 -0.002 0.000 2.756 39 R HA 0.459 4.799 4.340 0.000 0.000 0.273 39 R C -1.455 174.814 176.300 -0.051 0.000 1.030 39 R CA -0.874 55.191 56.100 -0.060 0.000 0.887 39 R CB -0.477 29.752 30.300 -0.119 0.000 1.274 39 R HN -0.376 nan 8.270 nan 0.000 0.461 40 D N 1.152 121.481 120.400 -0.118 0.000 2.363 40 D HA 0.124 4.764 4.640 0.000 0.000 0.263 40 D C 0.324 176.615 176.300 -0.016 0.000 1.258 40 D CA -0.008 53.946 54.000 -0.078 0.000 0.907 40 D CB 1.343 42.060 40.800 -0.140 0.000 1.107 40 D HN 0.503 nan 8.370 nan 0.000 0.495 41 V N 1.777 121.760 119.914 0.115 0.000 2.915 41 V HA 0.362 4.482 4.120 0.000 0.000 0.364 41 V C 1.577 177.835 176.094 0.273 0.000 1.354 41 V CA -0.530 61.900 62.300 0.215 0.000 1.213 41 V CB 0.020 31.959 31.823 0.193 0.000 1.268 41 V HN 0.335 nan 8.190 nan 0.000 0.557 42 R N 1.002 121.624 120.500 0.205 0.000 2.115 42 R HA 0.093 4.433 4.340 0.000 0.000 0.230 42 R C 0.476 176.888 176.300 0.186 0.000 1.111 42 R CA 1.167 57.372 56.100 0.174 0.000 0.976 42 R CB 0.204 30.567 30.300 0.105 0.000 0.870 42 R HN 0.707 nan 8.270 nan 0.000 0.445 43 E N -0.132 120.205 120.200 0.229 0.000 2.242 43 E HA 0.160 4.510 4.350 0.000 0.000 0.275 43 E C 0.419 177.126 176.600 0.178 0.000 1.002 43 E CA -0.493 56.026 56.400 0.197 0.000 0.841 43 E CB 1.211 31.052 29.700 0.235 0.000 1.109 43 E HN 0.034 nan 8.360 nan 0.000 0.394 44 R N 0.803 121.361 120.500 0.097 0.000 2.152 44 R HA -0.118 4.222 4.340 0.000 0.000 0.232 44 R C 2.038 178.333 176.300 -0.008 0.000 1.117 44 R CA 1.224 57.359 56.100 0.059 0.000 0.981 44 R CB -0.316 30.003 30.300 0.032 0.000 0.870 44 R HN 0.515 nan 8.270 nan 0.000 0.451 45 T N -0.953 113.544 114.554 -0.095 0.000 2.962 45 T HA -0.110 4.240 4.350 0.000 0.000 0.270 45 T C 0.951 175.424 174.700 -0.378 0.000 1.088 45 T CA 0.869 62.792 62.100 -0.294 0.000 1.127 45 T CB -0.070 68.522 68.868 -0.460 0.000 0.883 45 T HN 0.457 nan 8.240 nan 0.000 0.493 46 W N 0.914 122.220 121.300 0.011 0.000 3.220 46 W HA 0.359 5.019 4.660 0.000 0.000 0.328 46 W C 1.307 177.816 176.519 -0.016 0.000 1.205 46 W CA -0.722 56.625 57.345 0.004 0.000 1.773 46 W CB 0.441 29.911 29.460 0.017 0.000 1.086 46 W HN 0.162 nan 8.180 nan 0.000 0.622 47 Q N 1.760 121.645 119.800 0.141 0.000 2.642 47 Q HA 0.229 4.570 4.340 0.000 0.000 0.319 47 Q C -0.611 175.375 176.000 -0.023 0.000 1.030 47 Q CA 0.209 56.027 55.803 0.024 0.000 0.943 47 Q CB -0.574 28.173 28.738 0.015 0.000 1.323 47 Q HN 0.252 nan 8.270 nan 0.000 0.419 48 L N -5.463 115.769 121.223 0.016 0.000 2.869 48 L HA 0.474 4.814 4.340 0.000 0.000 0.265 48 L C -1.057 175.835 176.870 0.038 0.000 1.011 48 L CA -1.195 53.643 54.840 -0.005 0.000 0.913 48 L CB 1.120 43.164 42.059 -0.025 0.000 1.490 48 L HN -0.174 nan 8.230 nan 0.000 0.410 49 D N -0.187 120.228 120.400 0.025 0.000 2.689 49 D HA -0.145 4.495 4.640 0.000 0.000 0.237 49 D C -0.215 176.129 176.300 0.073 0.000 1.148 49 D CA 1.794 55.824 54.000 0.051 0.000 0.656 49 D CB -0.680 40.159 40.800 0.066 0.000 1.050 49 D HN 1.006 nan 8.370 nan 0.000 0.426 50 T N -1.163 113.416 114.554 0.042 0.000 2.932 50 T HA 0.543 4.893 4.350 0.000 0.000 0.318 50 T C -2.563 172.135 174.700 -0.002 0.000 1.265 50 T CA -1.255 60.863 62.100 0.030 0.000 1.036 50 T CB 1.777 70.668 68.868 0.038 0.000 1.209 50 T HN -0.232 nan 8.240 nan 0.000 0.484 51 P HA 0.599 nan 4.420 nan 0.000 0.274 51 P C -1.264 175.967 177.300 -0.114 0.000 1.256 51 P CA -0.798 62.257 63.100 -0.076 0.000 0.795 51 P CB 0.503 32.096 31.700 -0.177 0.000 1.038 52 L N 0.585 121.708 121.223 -0.167 0.000 2.526 52 L HA 0.415 4.755 4.340 0.000 0.000 0.263 52 L C -1.365 175.431 176.870 -0.123 0.000 0.943 52 L CA -0.633 54.167 54.840 -0.065 0.000 0.859 52 L CB 1.293 43.349 42.059 -0.004 0.000 1.313 52 L HN 0.289 nan 8.230 nan 0.000 0.406 53 F N 1.256 121.245 119.950 0.064 0.000 2.397 53 F HA 0.453 4.980 4.527 0.000 0.000 0.331 53 F C 0.662 176.517 175.800 0.091 0.000 1.090 53 F CA -0.253 57.778 58.000 0.053 0.000 1.065 53 F CB 2.042 41.037 39.000 -0.009 0.000 1.184 53 F HN 0.253 nan 8.300 nan 0.000 0.499 54 T N 4.609 119.305 114.554 0.236 0.000 2.809 54 T HA 0.544 4.894 4.350 0.000 0.000 0.296 54 T C -0.638 174.075 174.700 0.023 0.000 1.015 54 T CA -0.489 61.645 62.100 0.056 0.000 0.954 54 T CB 0.398 69.284 68.868 0.030 0.000 0.950 54 T HN 0.143 nan 8.240 nan 0.000 0.450 55 L N 3.279 124.498 121.223 -0.006 0.000 2.309 55 L HA 0.638 4.978 4.340 0.000 0.000 0.282 55 L C 0.361 177.137 176.870 -0.157 0.000 1.036 55 L CA -0.465 54.333 54.840 -0.069 0.000 0.806 55 L CB 1.292 43.400 42.059 0.081 0.000 1.220 55 L HN 0.452 nan 8.230 nan 0.000 0.429 56 R N 2.711 123.020 120.500 -0.319 0.000 2.502 56 R HA 0.549 4.889 4.340 0.000 0.000 0.300 56 R C -1.709 174.372 176.300 -0.364 0.000 0.984 56 R CA -0.449 55.517 56.100 -0.224 0.000 0.882 56 R CB 0.831 31.014 30.300 -0.195 0.000 1.180 56 R HN 0.381 nan 8.270 nan 0.000 0.444 57 F N 6.147 126.006 119.950 -0.153 0.000 2.420 57 F HA 0.527 5.054 4.527 0.000 0.000 0.342 57 F C -0.188 175.213 175.800 -0.666 0.000 1.113 57 F CA -0.446 57.298 58.000 -0.426 0.000 1.059 57 F CB 1.180 39.825 39.000 -0.592 0.000 1.128 57 F HN 0.429 nan 8.300 nan 0.000 0.475 58 F N -0.232 119.278 119.950 -0.734 0.000 2.745 58 F HA 0.724 5.251 4.527 0.000 0.000 0.316 58 F C -1.076 174.696 175.800 -0.046 0.000 1.155 58 F CA -1.806 55.937 58.000 -0.427 0.000 0.937 58 F CB 1.435 40.355 39.000 -0.133 0.000 1.361 58 F HN 0.219 nan 8.300 nan 0.000 0.472 59 S N 1.561 117.372 115.700 0.185 0.000 2.707 59 S HA 0.544 5.014 4.470 0.000 0.000 0.303 59 S C -2.271 172.380 174.600 0.084 0.000 1.132 59 S CA -1.308 56.955 58.200 0.104 0.000 1.046 59 S CB 1.524 64.890 63.200 0.276 0.000 1.004 59 S HN 0.603 nan 8.310 nan 0.000 0.483 60 P HA 0.155 nan 4.420 nan 0.000 0.235 60 P C -0.454 176.771 177.300 -0.124 0.000 1.177 60 P CA 0.552 63.633 63.100 -0.032 0.000 0.785 60 P CB 0.311 31.942 31.700 -0.116 0.000 0.885 61 Q N -0.597 119.070 119.800 -0.220 0.000 2.435 61 Q HA 0.173 4.513 4.340 0.000 0.000 0.282 61 Q C -0.481 175.438 176.000 -0.134 0.000 1.020 61 Q CA -0.669 55.029 55.803 -0.175 0.000 0.820 61 Q CB 1.661 30.245 28.738 -0.256 0.000 1.436 61 Q HN 0.031 nan 8.270 nan 0.000 0.395 62 E N 0.330 120.480 120.200 -0.084 0.000 2.652 62 E HA 0.033 4.383 4.350 0.000 0.000 0.255 62 E C 0.597 177.155 176.600 -0.069 0.000 0.952 62 E CA 1.760 58.122 56.400 -0.063 0.000 0.947 62 E CB 0.178 29.847 29.700 -0.051 0.000 0.912 62 E HN 0.811 nan 8.360 nan 0.000 0.489 63 G N 4.315 113.085 108.800 -0.049 0.000 2.162 63 G HA2 -0.258 3.702 3.960 0.000 0.000 0.260 63 G HA3 -0.258 3.702 3.960 0.000 0.000 0.260 63 G C 0.354 175.231 174.900 -0.039 0.000 0.976 63 G CA 0.397 45.477 45.100 -0.032 0.000 0.655 63 G HN 0.538 nan 8.290 nan 0.000 0.533 64 I N 0.914 121.432 120.570 -0.086 0.000 2.362 64 I HA 0.446 4.616 4.170 0.000 0.000 0.289 64 I C -0.064 176.029 176.117 -0.041 0.000 0.994 64 I CA -1.015 60.212 61.300 -0.123 0.000 1.158 64 I CB 2.023 39.789 38.000 -0.390 0.000 1.315 64 I HN -0.147 nan 8.210 nan 0.000 0.451 65 V N 5.654 125.594 119.914 0.042 0.000 2.334 65 V HA 0.423 4.543 4.120 0.000 0.000 0.281 65 V C 0.720 176.772 176.094 -0.072 0.000 1.016 65 V CA -0.531 61.821 62.300 0.087 0.000 0.832 65 V CB 1.350 33.346 31.823 0.288 0.000 0.999 65 V HN 0.890 nan 8.190 nan 0.000 0.439 66 G N 3.769 112.325 108.800 -0.406 0.000 2.390 66 G HA2 0.529 4.489 3.960 0.000 0.000 0.270 66 G HA3 0.529 4.489 3.960 0.000 0.000 0.270 66 G C -0.783 173.632 174.900 -0.808 0.000 1.211 66 G CA -0.226 44.310 45.100 -0.939 0.000 0.842 66 G HN 0.566 nan 8.290 nan 0.000 0.519 67 V N 2.887 122.322 119.914 -0.798 0.000 2.482 67 V HA 0.480 4.600 4.120 0.000 0.000 0.295 67 V C 0.036 175.795 176.094 -0.558 0.000 1.026 67 V CA -0.875 60.948 62.300 -0.795 0.000 0.856 67 V CB 1.527 32.791 31.823 -0.932 0.000 1.001 67 V HN 0.837 nan 8.190 nan 0.000 0.424 68 R N 4.634 124.935 120.500 -0.332 0.000 2.393 68 R HA 0.740 5.080 4.340 0.000 0.000 0.315 68 R C -1.295 174.953 176.300 -0.086 0.000 0.952 68 R CA -0.598 55.442 56.100 -0.100 0.000 0.842 68 R CB 1.674 31.935 30.300 -0.065 0.000 1.163 68 R HN 0.809 nan 8.270 nan 0.000 0.450 69 I N 3.938 124.553 120.570 0.075 0.000 2.410 69 I HA 0.356 4.526 4.170 0.000 0.000 0.286 69 I C -0.982 175.280 176.117 0.241 0.000 1.009 69 I CA -0.256 61.110 61.300 0.111 0.000 1.111 69 I CB 1.274 39.319 38.000 0.073 0.000 1.262 69 I HN 0.761 nan 8.210 nan 0.000 0.443 70 E N 6.720 127.060 120.200 0.233 0.000 2.312 70 E HA 0.333 4.683 4.350 0.000 0.000 0.267 70 E C -1.017 175.699 176.600 0.194 0.000 0.894 70 E CA -0.692 55.855 56.400 0.245 0.000 0.773 70 E CB 1.959 31.768 29.700 0.182 0.000 1.241 70 E HN 0.808 nan 8.360 nan 0.000 0.432 71 H N 2.299 121.340 119.070 -0.047 0.000 3.500 71 H HA 0.223 4.779 4.556 0.000 0.000 0.231 71 H C -0.397 174.844 175.328 -0.146 0.000 1.357 71 H CA -0.312 55.498 56.048 -0.396 0.000 1.785 71 H CB 0.310 29.508 29.762 -0.939 0.000 1.552 71 H HN 0.413 nan 8.280 nan 0.000 0.522 72 F N 2.382 122.050 119.950 -0.469 0.000 2.420 72 F HA 0.184 4.711 4.527 0.000 0.000 0.352 72 F C 1.399 177.130 175.800 -0.116 0.000 1.108 72 F CA -0.224 57.564 58.000 -0.354 0.000 1.162 72 F CB 1.354 40.159 39.000 -0.324 0.000 1.118 72 F HN 0.437 nan 8.300 nan 0.000 0.510 73 Q N 1.941 121.795 119.800 0.090 0.000 2.432 73 Q HA 0.054 4.394 4.340 0.000 0.000 0.205 73 Q C 2.054 178.068 176.000 0.023 0.000 0.945 73 Q CA 0.607 56.433 55.803 0.039 0.000 0.924 73 Q CB 0.156 28.891 28.738 -0.005 0.000 1.016 73 Q HN 1.006 nan 8.270 nan 0.000 0.503 74 G N 0.708 109.510 108.800 0.003 0.000 2.776 74 G HA2 0.114 4.074 3.960 0.000 0.000 0.209 74 G HA3 0.114 4.074 3.960 0.000 0.000 0.209 74 G C 0.517 175.432 174.900 0.025 0.000 1.145 74 G CA 0.359 45.446 45.100 -0.021 0.000 0.791 74 G HN 0.357 nan 8.290 nan 0.000 0.530 75 A N -0.332 122.540 122.820 0.086 0.000 2.448 75 A HA 0.442 4.762 4.320 0.000 0.000 0.239 75 A C 1.561 179.198 177.584 0.089 0.000 1.080 75 A CA -0.294 51.807 52.037 0.108 0.000 0.779 75 A CB 0.364 19.465 19.000 0.167 0.000 1.026 75 A HN 0.196 nan 8.150 nan 0.000 0.499 76 L N 0.537 121.812 121.223 0.088 0.000 2.017 76 L HA -0.170 4.170 4.340 0.000 0.000 0.208 76 L C 0.709 177.637 176.870 0.097 0.000 1.073 76 L CA 1.545 56.431 54.840 0.077 0.000 0.745 76 L CB -0.754 41.347 42.059 0.069 0.000 0.894 76 L HN 0.919 nan 8.230 nan 0.000 0.432 77 N N 1.001 119.785 118.700 0.141 0.000 2.667 77 N HA -0.174 4.566 4.740 0.000 0.000 0.263 77 N C -0.703 174.905 175.510 0.164 0.000 1.038 77 N CA -0.217 52.950 53.050 0.195 0.000 0.749 77 N CB -1.087 37.525 38.487 0.209 0.000 0.892 77 N HN 0.389 nan 8.380 nan 0.000 0.546 78 N N 0.309 119.073 118.700 0.106 0.000 2.483 78 N HA 0.274 5.014 4.740 0.000 0.000 0.269 78 N C 1.170 176.622 175.510 -0.096 0.000 1.209 78 N CA 0.157 53.231 53.050 0.041 0.000 0.969 78 N CB 0.623 39.126 38.487 0.028 0.000 1.173 78 N HN 0.354 nan 8.380 nan 0.000 0.475 79 G N 0.459 109.114 108.800 -0.241 0.000 2.583 79 G HA2 0.195 4.155 3.960 0.000 0.000 0.275 79 G HA3 0.195 4.155 3.960 0.000 0.000 0.275 79 G C -2.282 172.401 174.900 -0.362 0.000 1.342 79 G CA -0.507 44.241 45.100 -0.587 0.000 1.030 79 G HN 0.355 nan 8.290 nan 0.000 0.520 80 P HA 0.210 nan 4.420 nan 0.000 0.276 80 P C -0.861 175.981 177.300 -0.763 0.000 1.252 80 P CA -0.121 62.653 63.100 -0.543 0.000 0.802 80 P CB 1.062 32.442 31.700 -0.533 0.000 1.035 81 H N -0.552 118.328 119.070 -0.317 0.000 2.616 81 H HA 0.295 4.851 4.556 0.000 0.000 0.353 81 H C 0.105 175.243 175.328 -0.316 0.000 1.170 81 H CA -0.301 55.577 56.048 -0.283 0.000 1.212 81 H CB 0.236 29.924 29.762 -0.123 0.000 1.653 81 H HN 0.349 nan 8.280 nan 0.000 0.537 82 Y N 1.765 122.005 120.300 -0.100 0.000 2.578 82 Y HA 0.027 4.577 4.550 0.000 0.000 0.339 82 Y C -1.383 174.386 175.900 -0.218 0.000 1.231 82 Y CA -2.016 55.975 58.100 -0.183 0.000 1.461 82 Y CB -0.055 38.331 38.460 -0.124 0.000 1.323 82 Y HN 0.350 nan 8.280 nan 0.000 0.590 83 P HA 0.066 nan 4.420 nan 0.000 0.226 83 P C -0.787 176.356 177.300 -0.262 0.000 1.783 83 P CA -0.069 62.912 63.100 -0.199 0.000 0.980 83 P CB -0.290 31.229 31.700 -0.302 0.000 1.967 84 L N 2.148 123.213 121.223 -0.264 0.000 2.380 84 L HA 0.176 4.516 4.340 0.000 0.000 0.273 84 L C 0.933 177.680 176.870 -0.204 0.000 1.138 84 L CA 0.296 54.868 54.840 -0.448 0.000 0.832 84 L CB -0.294 41.499 42.059 -0.444 0.000 1.124 84 L HN 0.117 nan 8.230 nan 0.000 0.454 85 N N 4.971 123.568 118.700 -0.170 0.000 2.406 85 N HA 0.311 5.051 4.740 0.000 0.000 0.251 85 N C -0.550 175.051 175.510 0.151 0.000 1.069 85 N CA 0.021 53.074 53.050 0.005 0.000 0.947 85 N CB 1.061 39.543 38.487 -0.009 0.000 1.111 85 N HN 0.427 nan 8.380 nan 0.000 0.497 86 I N 3.389 124.028 120.570 0.115 0.000 2.382 86 I HA 0.303 4.473 4.170 0.000 0.000 0.286 86 I C -0.079 176.097 176.117 0.098 0.000 1.002 86 I CA -0.636 60.757 61.300 0.154 0.000 1.135 86 I CB 1.325 39.431 38.000 0.177 0.000 1.288 86 I HN 0.135 nan 8.210 nan 0.000 0.448 87 L N 5.718 126.991 121.223 0.084 0.000 2.360 87 L HA 0.401 4.741 4.340 0.000 0.000 0.271 87 L C 0.885 177.806 176.870 0.085 0.000 1.057 87 L CA -0.644 54.235 54.840 0.064 0.000 0.803 87 L CB 1.040 43.123 42.059 0.039 0.000 1.207 87 L HN 0.549 nan 8.230 nan 0.000 0.445 88 Q N 0.948 120.789 119.800 0.069 0.000 2.378 88 Q HA -0.007 4.333 4.340 0.000 0.000 0.216 88 Q C 0.378 176.420 176.000 0.071 0.000 0.892 88 Q CA 0.436 56.285 55.803 0.075 0.000 0.931 88 Q CB 0.384 29.155 28.738 0.055 0.000 1.086 88 Q HN 0.769 nan 8.270 nan 0.000 0.528 89 D N -0.726 119.707 120.400 0.054 0.000 2.463 89 D HA 0.042 4.682 4.640 0.000 0.000 0.224 89 D C 0.147 176.469 176.300 0.036 0.000 1.174 89 D CA -0.344 53.681 54.000 0.042 0.000 0.829 89 D CB 0.048 40.864 40.800 0.028 0.000 0.993 89 D HN -0.234 nan 8.370 nan 0.000 0.497 90 V N 1.301 121.244 119.914 0.048 0.000 2.540 90 V HA -0.048 4.072 4.120 0.000 0.000 0.297 90 V C 0.920 177.027 176.094 0.021 0.000 1.024 90 V CA -0.282 62.036 62.300 0.030 0.000 1.105 90 V CB 0.564 32.411 31.823 0.040 0.000 0.938 90 V HN 0.182 nan 8.190 nan 0.000 0.482 91 K N 5.272 125.667 120.400 -0.008 0.000 2.383 91 K HA 0.430 4.750 4.320 0.000 0.000 0.286 91 K C -0.558 176.000 176.600 -0.070 0.000 1.051 91 K CA -0.275 55.995 56.287 -0.028 0.000 0.974 91 K CB 0.777 33.257 32.500 -0.033 0.000 0.968 91 K HN 0.642 nan 8.250 nan 0.000 0.475 92 V N 0.188 120.040 119.914 -0.104 0.000 3.130 92 V HA 0.597 4.717 4.120 0.000 0.000 0.310 92 V C -0.819 175.131 176.094 -0.239 0.000 1.158 92 V CA -0.819 61.332 62.300 -0.249 0.000 1.029 92 V CB 2.027 33.630 31.823 -0.365 0.000 1.057 92 V HN 0.694 nan 8.190 nan 0.000 0.436 93 T N 2.881 117.228 114.554 -0.346 0.000 2.824 93 T HA 0.751 5.101 4.350 0.000 0.000 0.282 93 T C -0.657 173.879 174.700 -0.272 0.000 0.993 93 T CA -0.113 61.844 62.100 -0.239 0.000 0.967 93 T CB 1.052 69.812 68.868 -0.181 0.000 0.960 93 T HN 0.671 nan 8.240 nan 0.000 0.441 94 I N 2.745 123.241 120.570 -0.124 0.000 2.418 94 I HA 0.413 4.583 4.170 0.000 0.000 0.287 94 I C -0.069 176.033 176.117 -0.025 0.000 1.008 94 I CA -0.655 60.621 61.300 -0.041 0.000 1.104 94 I CB 1.932 39.977 38.000 0.076 0.000 1.264 94 I HN 0.529 nan 8.210 nan 0.000 0.438 95 E N 5.794 125.975 120.200 -0.030 0.000 2.176 95 E HA 0.330 4.680 4.350 0.000 0.000 0.267 95 E C -1.225 175.372 176.600 -0.006 0.000 0.893 95 E CA -0.678 55.710 56.400 -0.021 0.000 0.761 95 E CB 1.507 31.186 29.700 -0.036 0.000 1.133 95 E HN 0.486 nan 8.360 nan 0.000 0.409 96 N N 3.495 122.198 118.700 0.005 0.000 2.626 96 N HA 0.187 4.927 4.740 0.000 0.000 0.249 96 N C -1.139 174.373 175.510 0.004 0.000 1.021 96 N CA -0.208 52.847 53.050 0.009 0.000 0.886 96 N CB 1.231 39.729 38.487 0.018 0.000 1.149 96 N HN 0.576 nan 8.380 nan 0.000 0.517 97 T N -0.847 113.711 114.554 0.007 0.000 2.844 97 T HA 0.325 4.675 4.350 0.000 0.000 0.274 97 T C 1.005 175.685 174.700 -0.034 0.000 0.991 97 T CA -0.528 61.567 62.100 -0.007 0.000 0.983 97 T CB 1.097 69.969 68.868 0.006 0.000 1.310 97 T HN 0.400 nan 8.240 nan 0.000 0.596 98 E N -0.239 119.927 120.200 -0.057 0.000 2.152 98 E HA -0.082 4.268 4.350 0.000 0.000 0.192 98 E C 2.144 178.665 176.600 -0.133 0.000 0.983 98 E CA 0.548 56.901 56.400 -0.078 0.000 0.818 98 E CB 0.036 29.693 29.700 -0.071 0.000 0.758 98 E HN 0.612 nan 8.360 nan 0.000 0.467 99 R N -1.476 118.893 120.500 -0.218 0.000 2.195 99 R HA 0.161 4.501 4.340 0.000 0.000 0.197 99 R C -0.234 175.736 176.300 -0.549 0.000 0.990 99 R CA 0.337 56.163 56.100 -0.457 0.000 1.048 99 R CB 0.517 30.405 30.300 -0.687 0.000 0.997 99 R HN 0.101 nan 8.270 nan 0.000 0.502 100 Y N -1.333 118.919 120.300 -0.080 0.000 2.562 100 Y HA 0.586 5.136 4.550 0.000 0.000 0.345 100 Y C -0.804 175.024 175.900 -0.120 0.000 1.045 100 Y CA -1.498 56.529 58.100 -0.121 0.000 1.028 100 Y CB 2.140 40.524 38.460 -0.127 0.000 1.297 100 Y HN -0.089 nan 8.280 nan 0.000 0.463 101 A N 1.725 124.562 122.820 0.029 0.000 2.342 101 A HA 0.696 5.016 4.320 0.000 0.000 0.323 101 A C -1.200 176.289 177.584 -0.159 0.000 1.125 101 A CA -0.580 51.423 52.037 -0.057 0.000 0.785 101 A CB 1.431 20.383 19.000 -0.081 0.000 1.221 101 A HN 0.757 nan 8.150 nan 0.000 0.463 102 E N 1.727 121.844 120.200 -0.139 0.000 2.263 102 E HA 0.535 4.885 4.350 0.000 0.000 0.268 102 E C -2.082 174.456 176.600 -0.105 0.000 0.884 102 E CA -0.436 55.852 56.400 -0.186 0.000 0.766 102 E CB 1.313 30.906 29.700 -0.177 0.000 1.196 102 E HN 0.538 nan 8.360 nan 0.000 0.416 103 F N 4.345 124.131 119.950 -0.273 0.000 2.426 103 F HA 0.484 5.011 4.527 0.000 0.000 0.348 103 F C -0.870 174.870 175.800 -0.101 0.000 1.124 103 F CA -0.569 57.337 58.000 -0.156 0.000 1.008 103 F CB 1.023 39.945 39.000 -0.131 0.000 1.139 103 F HN 0.294 nan 8.300 nan 0.000 0.452 104 K N 4.204 124.250 120.400 -0.591 0.000 2.345 104 K HA 0.560 4.880 4.320 0.000 0.000 0.255 104 K C -1.462 174.848 176.600 -0.483 0.000 0.934 104 K CA -0.652 55.409 56.287 -0.377 0.000 0.801 104 K CB 1.792 34.149 32.500 -0.239 0.000 1.137 104 K HN 0.579 nan 8.250 nan 0.000 0.424 105 S N 2.835 118.400 115.700 -0.226 0.000 2.733 105 S HA 0.617 5.087 4.470 0.000 0.000 0.294 105 S C 0.092 174.647 174.600 -0.074 0.000 1.149 105 S CA 0.485 58.599 58.200 -0.144 0.000 1.034 105 S CB 0.794 63.977 63.200 -0.030 0.000 1.015 105 S HN 1.066 nan 8.310 nan 0.000 0.486 106 G N 5.370 114.123 108.800 -0.077 0.000 2.556 106 G HA2 -0.321 3.639 3.960 0.000 0.000 0.283 106 G HA3 -0.321 3.639 3.960 0.000 0.000 0.283 106 G C 0.421 175.291 174.900 -0.050 0.000 1.177 106 G CA 0.587 45.655 45.100 -0.054 0.000 0.978 106 G HN 0.760 nan 8.290 nan 0.000 0.554 107 N N -0.014 118.667 118.700 -0.032 0.000 2.336 107 N HA 0.336 5.076 4.740 0.000 0.000 0.189 107 N C 0.325 175.824 175.510 -0.019 0.000 1.113 107 N CA -0.063 52.970 53.050 -0.027 0.000 0.858 107 N CB 0.366 38.843 38.487 -0.016 0.000 0.970 107 N HN 0.399 nan 8.380 nan 0.000 0.471 108 L N 1.147 122.364 121.223 -0.009 0.000 2.282 108 L HA 0.437 4.777 4.340 0.000 0.000 0.288 108 L C -0.255 176.632 176.870 0.028 0.000 1.033 108 L CA -0.505 54.350 54.840 0.026 0.000 0.807 108 L CB 1.145 43.236 42.059 0.053 0.000 1.209 108 L HN -0.061 nan 8.230 nan 0.000 0.423 109 S N 3.752 119.474 115.700 0.036 0.000 2.570 109 S HA 0.949 5.419 4.470 0.000 0.000 0.286 109 S C -0.713 173.911 174.600 0.039 0.000 1.099 109 S CA -0.452 57.761 58.200 0.021 0.000 0.913 109 S CB 1.697 64.846 63.200 -0.085 0.000 1.085 109 S HN 1.002 nan 8.310 nan 0.000 0.480 110 A N 1.928 124.746 122.820 -0.003 0.000 2.276 110 A HA 0.776 5.096 4.320 0.000 0.000 0.316 110 A C -0.049 177.269 177.584 -0.443 0.000 1.229 110 A CA -0.772 51.103 52.037 -0.271 0.000 0.851 110 A CB 0.576 19.504 19.000 -0.120 0.000 1.165 110 A HN 0.849 nan 8.150 nan 0.000 0.513 111 R N 2.683 122.869 120.500 -0.522 0.000 2.476 111 R HA 0.578 4.918 4.340 0.000 0.000 0.305 111 R C -1.841 174.158 176.300 -0.503 0.000 0.965 111 R CA -0.355 55.452 56.100 -0.488 0.000 0.867 111 R CB 1.681 31.688 30.300 -0.489 0.000 1.176 111 R HN 0.484 nan 8.270 nan 0.000 0.447 112 V N 3.292 122.931 119.914 -0.459 0.000 2.370 112 V HA 0.280 4.400 4.120 0.000 0.000 0.283 112 V C -0.055 175.884 176.094 -0.259 0.000 1.023 112 V CA -0.634 61.367 62.300 -0.497 0.000 0.857 112 V CB 1.697 33.197 31.823 -0.538 0.000 0.985 112 V HN 0.777 nan 8.190 nan 0.000 0.443 113 S N 5.112 120.652 115.700 -0.267 0.000 2.499 113 S HA 0.346 4.816 4.470 0.000 0.000 0.275 113 S C 0.160 174.695 174.600 -0.109 0.000 1.257 113 S CA -0.583 57.599 58.200 -0.029 0.000 1.050 113 S CB 0.494 63.706 63.200 0.021 0.000 0.937 113 S HN 0.637 nan 8.310 nan 0.000 0.490 114 K N 1.589 121.946 120.400 -0.071 0.000 2.102 114 K HA 0.631 4.951 4.320 0.000 0.000 0.244 114 K C 0.978 177.566 176.600 -0.019 0.000 1.021 114 K CA -0.139 56.129 56.287 -0.033 0.000 0.913 114 K CB 0.413 32.880 32.500 -0.055 0.000 1.062 114 K HN 0.842 nan 8.250 nan 0.000 0.485 115 G N 0.822 109.623 108.800 0.002 0.000 2.632 115 G HA2 -0.325 3.635 3.960 0.000 0.000 0.224 115 G HA3 -0.325 3.635 3.960 0.000 0.000 0.224 115 G C 0.587 175.455 174.900 -0.053 0.000 1.341 115 G CA 0.380 45.464 45.100 -0.027 0.000 0.880 115 G HN 0.800 nan 8.290 nan 0.000 0.566 116 E N -0.710 119.367 120.200 -0.206 0.000 2.204 116 E HA 0.053 4.403 4.350 0.000 0.000 0.194 116 E C 0.440 176.697 176.600 -0.572 0.000 0.989 116 E CA 0.770 56.900 56.400 -0.450 0.000 0.824 116 E CB -0.082 29.174 29.700 -0.739 0.000 0.756 116 E HN 0.346 nan 8.360 nan 0.000 0.477 117 F N 1.517 121.510 119.950 0.072 0.000 2.300 117 F HA 0.208 4.735 4.527 0.000 0.000 0.364 117 F C 0.026 175.896 175.800 0.117 0.000 1.090 117 F CA -1.112 56.939 58.000 0.086 0.000 1.200 117 F CB 0.108 39.134 39.000 0.043 0.000 1.493 117 F HN 0.078 nan 8.300 nan 0.000 0.518 118 W N 3.333 124.688 121.300 0.092 0.000 2.223 118 W HA 0.376 5.036 4.660 0.000 0.000 0.334 118 W C -0.712 175.853 176.519 0.076 0.000 1.334 118 W CA 0.374 57.758 57.345 0.066 0.000 1.246 118 W CB 1.254 30.732 29.460 0.030 0.000 1.184 118 W HN 0.411 nan 8.180 nan 0.000 0.563 119 S N 6.596 121.967 115.700 -0.548 0.000 2.543 119 S HA 0.464 4.934 4.470 0.000 0.000 0.273 119 S C -1.649 172.578 174.600 -0.621 0.000 1.152 119 S CA -0.826 57.158 58.200 -0.360 0.000 0.910 119 S CB 0.967 64.090 63.200 -0.129 0.000 1.105 119 S HN 0.527 nan 8.310 nan 0.000 0.465 120 L N 4.174 125.195 121.223 -0.336 0.000 2.294 120 L HA 0.613 4.953 4.340 0.000 0.000 0.283 120 L C -1.405 175.263 176.870 -0.336 0.000 1.015 120 L CA -0.380 54.256 54.840 -0.340 0.000 0.831 120 L CB 0.941 42.959 42.059 -0.069 0.000 1.217 120 L HN 0.658 nan 8.230 nan 0.000 0.420 121 D N 4.775 124.889 120.400 -0.477 0.000 2.362 121 D HA 0.382 5.022 4.640 0.000 0.000 0.247 121 D C -1.039 174.909 176.300 -0.588 0.000 1.050 121 D CA -0.028 53.734 54.000 -0.398 0.000 0.839 121 D CB 2.181 42.819 40.800 -0.270 0.000 1.283 121 D HN 0.175 nan 8.370 nan 0.000 0.477 122 F N 1.283 121.187 119.950 -0.077 0.000 2.427 122 F HA 0.446 4.973 4.527 0.000 0.000 0.346 122 F C 0.275 176.006 175.800 -0.114 0.000 1.120 122 F CA -0.700 57.249 58.000 -0.084 0.000 1.033 122 F CB 1.182 40.132 39.000 -0.083 0.000 1.126 122 F HN -0.039 nan 8.300 nan 0.000 0.462 123 L N 3.526 124.777 121.223 0.046 0.000 2.386 123 L HA 0.615 4.955 4.340 0.000 0.000 0.271 123 L C -0.447 176.422 176.870 -0.001 0.000 0.993 123 L CA -0.966 53.861 54.840 -0.021 0.000 0.819 123 L CB 2.475 44.479 42.059 -0.091 0.000 1.294 123 L HN 0.559 nan 8.230 nan 0.000 0.414 124 R N 3.385 123.882 120.500 -0.006 0.000 2.288 124 R HA 0.313 4.653 4.340 0.000 0.000 0.326 124 R C -0.398 175.893 176.300 -0.016 0.000 0.959 124 R CA -0.362 55.738 56.100 -0.001 0.000 0.834 124 R CB 0.489 30.800 30.300 0.018 0.000 1.157 124 R HN 0.718 nan 8.270 nan 0.000 0.470 125 N N 3.575 122.260 118.700 -0.026 0.000 2.714 125 N HA -0.212 4.528 4.740 0.000 0.000 0.252 125 N C 0.554 176.039 175.510 -0.042 0.000 1.014 125 N CA 1.529 54.559 53.050 -0.034 0.000 0.735 125 N CB -1.000 37.473 38.487 -0.023 0.000 0.924 125 N HN 1.113 nan 8.380 nan 0.000 0.540 126 G N -0.827 107.937 108.800 -0.059 0.000 2.196 126 G HA2 -0.349 3.611 3.960 0.000 0.000 0.268 126 G HA3 -0.349 3.611 3.960 0.000 0.000 0.268 126 G C -0.111 174.750 174.900 -0.066 0.000 0.975 126 G CA 0.912 45.966 45.100 -0.077 0.000 0.648 126 G HN 0.622 nan 8.290 nan 0.000 0.538 127 E N 0.249 120.423 120.200 -0.043 0.000 2.197 127 E HA 0.374 4.724 4.350 0.000 0.000 0.281 127 E C 0.507 177.090 176.600 -0.028 0.000 0.995 127 E CA -0.835 55.546 56.400 -0.031 0.000 0.808 127 E CB 1.176 30.869 29.700 -0.013 0.000 1.093 127 E HN 0.315 nan 8.360 nan 0.000 0.394 128 R N 3.427 123.908 120.500 -0.032 0.000 2.449 128 R HA 0.054 4.394 4.340 0.000 0.000 0.296 128 R C 0.903 177.200 176.300 -0.005 0.000 1.047 128 R CA 0.220 56.304 56.100 -0.027 0.000 1.018 128 R CB 0.225 30.505 30.300 -0.034 0.000 0.962 128 R HN 0.643 nan 8.270 nan 0.000 0.428 129 I N -0.404 120.155 120.570 -0.019 0.000 3.939 129 I HA 0.308 4.478 4.170 0.000 0.000 0.313 129 I C 0.580 176.627 176.117 -0.118 0.000 1.274 129 I CA -0.290 60.985 61.300 -0.041 0.000 1.301 129 I CB 0.903 38.858 38.000 -0.077 0.000 1.105 129 I HN 0.514 nan 8.210 nan 0.000 0.427 130 T N -0.922 113.569 114.554 -0.104 0.000 2.654 130 T HA 0.682 5.032 4.350 0.000 0.000 0.303 130 T C -1.044 173.769 174.700 0.188 0.000 1.656 130 T CA 0.027 62.120 62.100 -0.012 0.000 0.971 130 T CB 1.214 69.980 68.868 -0.170 0.000 1.811 130 T HN 0.622 nan 8.240 nan 0.000 0.483 131 G N 0.396 109.351 108.800 0.258 0.000 2.321 131 G HA2 0.500 4.460 3.960 0.000 0.000 0.296 131 G HA3 0.500 4.460 3.960 0.000 0.000 0.296 131 G C -1.484 173.552 174.900 0.225 0.000 1.287 131 G CA 0.342 45.626 45.100 0.307 0.000 0.846 131 G HN 1.071 nan 8.290 nan 0.000 0.508 132 S N -0.554 115.251 115.700 0.174 0.000 2.605 132 S HA 0.582 5.052 4.470 0.000 0.000 0.308 132 S C -0.233 174.442 174.600 0.125 0.000 1.113 132 S CA -0.385 57.904 58.200 0.149 0.000 1.049 132 S CB 1.134 64.459 63.200 0.207 0.000 1.001 132 S HN 0.574 nan 8.310 nan 0.000 0.480 133 Q N 1.807 121.662 119.800 0.092 0.000 2.317 133 Q HA 0.379 4.719 4.340 0.000 0.000 0.229 133 Q C -0.051 176.026 176.000 0.129 0.000 0.984 133 Q CA -0.641 55.223 55.803 0.101 0.000 0.911 133 Q CB 1.244 30.012 28.738 0.049 0.000 1.217 133 Q HN 0.596 nan 8.270 nan 0.000 0.501 134 V N 2.601 122.625 119.914 0.182 0.000 2.644 134 V HA -0.151 3.969 4.120 0.000 0.000 0.305 134 V C 0.243 176.276 176.094 -0.101 0.000 1.053 134 V CA 1.294 63.667 62.300 0.122 0.000 1.186 134 V CB -0.397 31.526 31.823 0.166 0.000 0.895 134 V HN 0.843 nan 8.190 nan 0.000 0.490 135 K N 3.068 123.291 120.400 -0.295 0.000 3.548 135 K HA -0.149 4.171 4.320 0.000 0.000 0.296 135 K C 0.542 176.943 176.600 -0.331 0.000 1.324 135 K CA 1.100 56.983 56.287 -0.672 0.000 0.976 135 K CB -1.291 30.815 32.500 -0.656 0.000 1.294 135 K HN 0.788 nan 8.250 nan 0.000 0.464 136 N N 1.262 119.881 118.700 -0.136 0.000 2.230 136 N HA 0.018 4.758 4.740 0.000 0.000 0.202 136 N C -0.232 175.108 175.510 -0.282 0.000 1.119 136 N CA 0.369 53.410 53.050 -0.015 0.000 0.851 136 N CB 0.247 38.733 38.487 -0.001 0.000 0.990 136 N HN 0.473 nan 8.380 nan 0.000 0.497 137 N N -0.853 117.541 118.700 -0.510 0.000 2.831 137 N HA 0.757 5.497 4.740 0.000 0.000 0.276 137 N C 0.361 175.296 175.510 -0.958 0.000 1.416 137 N CA -0.489 51.914 53.050 -1.077 0.000 0.799 137 N CB 1.289 39.444 38.487 -0.553 0.000 1.554 137 N HN -0.016 nan 8.380 nan 0.000 0.541 138 G N -1.803 106.435 108.800 -0.936 0.000 2.260 138 G HA2 0.137 4.097 3.960 0.000 0.000 0.250 138 G HA3 0.137 4.097 3.960 0.000 0.000 0.250 138 G C -2.329 172.637 174.900 0.110 0.000 1.340 138 G CA -0.743 44.101 45.100 -0.427 0.000 1.056 138 G HN 0.739 nan 8.290 nan 0.000 0.471 139 Y N 0.151 120.551 120.300 0.166 0.000 2.409 139 Y HA 0.682 5.232 4.550 0.000 0.000 0.343 139 Y C -0.262 175.683 175.900 0.076 0.000 0.973 139 Y CA -1.060 57.105 58.100 0.108 0.000 1.064 139 Y CB 2.222 40.598 38.460 -0.141 0.000 1.207 139 Y HN 0.560 nan 8.280 nan 0.000 0.452 140 V N 6.531 126.298 119.914 -0.244 0.000 2.409 140 V HA 0.330 4.450 4.120 0.000 0.000 0.291 140 V C -0.685 175.133 176.094 -0.459 0.000 1.020 140 V CA -0.855 61.296 62.300 -0.247 0.000 0.848 140 V CB 1.447 33.204 31.823 -0.109 0.000 0.990 140 V HN 0.745 nan 8.190 nan 0.000 0.430 141 Q N 3.588 123.168 119.800 -0.368 0.000 2.400 141 Q HA 0.260 4.600 4.340 0.000 0.000 0.255 141 Q C -0.935 174.995 176.000 -0.116 0.000 1.008 141 Q CA -0.583 55.043 55.803 -0.296 0.000 0.841 141 Q CB 1.284 29.887 28.738 -0.225 0.000 1.220 141 Q HN 0.763 nan 8.270 nan 0.000 0.474 142 D N 3.404 123.779 120.400 -0.042 0.000 2.374 142 D HA 0.072 4.712 4.640 0.000 0.000 0.240 142 D C 0.267 176.562 176.300 -0.009 0.000 1.229 142 D CA 0.075 54.080 54.000 0.008 0.000 0.895 142 D CB 1.409 42.288 40.800 0.133 0.000 1.046 142 D HN 0.553 nan 8.370 nan 0.000 0.498 143 T N 3.151 117.693 114.554 -0.019 0.000 3.035 143 T HA -0.048 4.302 4.350 0.000 0.000 0.268 143 T C 1.488 176.184 174.700 -0.007 0.000 1.109 143 T CA 0.540 62.633 62.100 -0.012 0.000 1.119 143 T CB 0.131 68.991 68.868 -0.014 0.000 0.900 143 T HN 0.416 nan 8.240 nan 0.000 0.503 144 N N 2.338 121.034 118.700 -0.007 0.000 2.251 144 N HA -0.036 4.704 4.740 0.000 0.000 0.181 144 N C 1.419 176.929 175.510 0.000 0.000 1.019 144 N CA 1.020 54.067 53.050 -0.006 0.000 0.862 144 N CB -0.142 38.338 38.487 -0.012 0.000 0.992 144 N HN 0.553 nan 8.380 nan 0.000 0.429 145 N N 0.191 118.895 118.700 0.007 0.000 2.177 145 N HA 0.005 4.745 4.740 0.000 0.000 0.218 145 N C -0.334 175.176 175.510 -0.001 0.000 1.182 145 N CA 0.114 53.168 53.050 0.008 0.000 0.882 145 N CB 0.289 38.787 38.487 0.018 0.000 1.052 145 N HN -0.202 nan 8.380 nan 0.000 0.519 146 Q N -0.828 118.968 119.800 -0.005 0.000 2.481 146 Q HA -0.227 4.113 4.340 0.000 0.000 0.258 146 Q C -0.764 175.205 176.000 -0.051 0.000 0.961 146 Q CA 0.932 56.725 55.803 -0.016 0.000 1.121 146 Q CB -2.336 26.400 28.738 -0.004 0.000 1.503 146 Q HN 0.654 nan 8.270 nan 0.000 0.544 147 R N 0.874 121.327 120.500 -0.079 0.000 2.457 147 R HA 0.518 4.858 4.340 0.000 0.000 0.284 147 R C 0.212 176.302 176.300 -0.350 0.000 1.024 147 R CA -0.587 55.372 56.100 -0.235 0.000 1.025 147 R CB 0.775 30.899 30.300 -0.293 0.000 1.063 147 R HN 0.053 nan 8.270 nan 0.000 0.493 148 N N 1.644 120.021 118.700 -0.539 0.000 2.269 148 N HA 0.357 5.097 4.740 0.000 0.000 0.304 148 N C -1.340 173.760 175.510 -0.683 0.000 1.072 148 N CA -0.453 52.275 53.050 -0.536 0.000 0.802 148 N CB 1.878 40.181 38.487 -0.307 0.000 1.348 148 N HN 0.412 nan 8.380 nan 0.000 0.484 149 Y N 0.010 120.127 120.300 -0.305 0.000 2.576 149 Y HA 0.541 5.091 4.550 0.000 0.000 0.346 149 Y C 0.113 175.997 175.900 -0.026 0.000 1.018 149 Y CA -1.097 56.921 58.100 -0.137 0.000 1.050 149 Y CB 1.800 40.181 38.460 -0.132 0.000 1.280 149 Y HN 0.114 nan 8.280 nan 0.000 0.474 150 M N 2.820 122.558 119.600 0.230 0.000 2.528 150 M HA 0.505 4.985 4.480 0.000 0.000 0.321 150 M C -1.161 175.281 176.300 0.237 0.000 1.153 150 M CA -0.678 54.768 55.300 0.244 0.000 0.951 150 M CB 1.796 34.502 32.600 0.177 0.000 1.705 150 M HN 0.750 nan 8.290 nan 0.000 0.451 151 F N 0.099 120.037 119.950 -0.020 0.000 2.662 151 F HA 0.887 5.414 4.527 0.000 0.000 0.312 151 F C -1.237 174.434 175.800 -0.214 0.000 1.113 151 F CA -0.882 57.033 58.000 -0.142 0.000 0.951 151 F CB 1.624 40.525 39.000 -0.164 0.000 1.344 151 F HN 0.537 nan 8.300 nan 0.000 0.462 152 E N 0.748 120.639 120.200 -0.515 0.000 2.390 152 E HA 0.602 4.952 4.350 0.000 0.000 0.277 152 E C -1.843 174.371 176.600 -0.644 0.000 0.939 152 E CA -0.773 55.201 56.400 -0.711 0.000 0.769 152 E CB 2.118 31.280 29.700 -0.898 0.000 1.251 152 E HN 0.744 nan 8.360 nan 0.000 0.450 153 R N 2.889 123.170 120.500 -0.364 0.000 2.514 153 R HA 0.502 4.842 4.340 0.000 0.000 0.296 153 R C -0.745 175.499 176.300 -0.094 0.000 1.012 153 R CA -0.674 55.300 56.100 -0.210 0.000 0.897 153 R CB 1.228 31.503 30.300 -0.043 0.000 1.184 153 R HN 0.385 nan 8.270 nan 0.000 0.440 154 L N 2.957 124.174 121.223 -0.011 0.000 2.282 154 L HA 0.321 4.661 4.340 0.000 0.000 0.288 154 L C -0.103 176.848 176.870 0.134 0.000 1.033 154 L CA -0.966 53.950 54.840 0.127 0.000 0.807 154 L CB 1.282 43.490 42.059 0.249 0.000 1.209 154 L HN 0.436 nan 8.230 nan 0.000 0.423 155 D N 3.313 123.787 120.400 0.123 0.000 2.419 155 D HA 0.245 4.885 4.640 0.000 0.000 0.236 155 D C -0.203 176.175 176.300 0.130 0.000 1.165 155 D CA 0.421 54.479 54.000 0.097 0.000 0.882 155 D CB 1.042 41.890 40.800 0.080 0.000 1.201 155 D HN 0.235 nan 8.370 nan 0.000 0.443 156 L N 1.236 122.510 121.223 0.085 0.000 2.322 156 L HA 0.475 4.816 4.340 0.000 0.000 0.281 156 L C 1.109 178.016 176.870 0.062 0.000 1.014 156 L CA -0.815 54.074 54.840 0.082 0.000 0.815 156 L CB 1.886 43.960 42.059 0.026 0.000 1.247 156 L HN 0.310 nan 8.230 nan 0.000 0.421 157 G N 1.853 110.699 108.800 0.077 0.000 2.580 157 G HA2 0.413 4.373 3.960 0.000 0.000 0.278 157 G HA3 0.413 4.373 3.960 0.000 0.000 0.278 157 G C -0.162 174.759 174.900 0.036 0.000 1.212 157 G CA -0.553 44.580 45.100 0.055 0.000 0.939 157 G HN 0.302 nan 8.290 nan 0.000 0.513 158 V N 0.887 120.817 119.914 0.028 0.000 2.617 158 V HA 0.346 4.466 4.120 0.000 0.000 0.304 158 V C 1.713 177.823 176.094 0.027 0.000 1.040 158 V CA 1.612 63.925 62.300 0.022 0.000 1.149 158 V CB 0.378 32.211 31.823 0.018 0.000 0.914 158 V HN 1.778 nan 8.190 nan 0.000 0.487 159 G N 3.450 112.267 108.800 0.028 0.000 2.166 159 G HA2 -0.298 3.662 3.960 0.000 0.000 0.260 159 G HA3 -0.298 3.662 3.960 0.000 0.000 0.260 159 G C 0.214 175.125 174.900 0.018 0.000 0.986 159 G CA 0.524 45.645 45.100 0.035 0.000 0.683 159 G HN 0.846 nan 8.290 nan 0.000 0.527 160 E N 1.504 121.711 120.200 0.013 0.000 2.223 160 E HA 0.470 4.821 4.350 0.000 0.000 0.282 160 E C 0.763 177.326 176.600 -0.063 0.000 1.046 160 E CA 0.275 56.675 56.400 -0.000 0.000 0.857 160 E CB 0.335 30.058 29.700 0.038 0.000 1.055 160 E HN 0.394 nan 8.360 nan 0.000 0.409 161 T N 0.353 114.842 114.554 -0.108 0.000 2.918 161 T HA 0.556 4.906 4.350 0.000 0.000 0.286 161 T C -0.171 174.314 174.700 -0.358 0.000 1.026 161 T CA -0.914 61.012 62.100 -0.289 0.000 1.031 161 T CB 1.601 70.189 68.868 -0.465 0.000 1.046 161 T HN 0.135 nan 8.240 nan 0.000 0.479 162 V N 2.246 121.820 119.914 -0.567 0.000 2.581 162 V HA 0.628 4.748 4.120 0.000 0.000 0.303 162 V C -1.186 174.470 176.094 -0.730 0.000 1.041 162 V CA -0.815 61.197 62.300 -0.479 0.000 0.907 162 V CB 0.983 32.553 31.823 -0.423 0.000 0.994 162 V HN 0.956 nan 8.190 nan 0.000 0.442 163 Y N 0.979 121.148 120.300 -0.218 0.000 2.615 163 Y HA 0.831 5.381 4.550 0.000 0.000 0.341 163 Y C 0.741 176.509 175.900 -0.220 0.000 1.089 163 Y CA 0.257 58.231 58.100 -0.209 0.000 1.049 163 Y CB 2.246 40.593 38.460 -0.189 0.000 1.296 163 Y HN 0.999 nan 8.280 nan 0.000 0.470 164 G N 0.083 108.863 108.800 -0.034 0.000 2.516 164 G HA2 -0.155 3.805 3.960 0.000 0.000 0.220 164 G HA3 -0.155 3.805 3.960 0.000 0.000 0.220 164 G C -0.252 174.554 174.900 -0.157 0.000 1.165 164 G CA -0.278 44.770 45.100 -0.088 0.000 1.013 164 G HN 1.249 nan 8.290 nan 0.000 0.590 165 L N -0.206 120.917 121.223 -0.167 0.000 4.291 165 L HA 0.056 4.396 4.340 0.000 0.000 0.413 165 L C 1.419 178.207 176.870 -0.137 0.000 1.162 165 L CA 1.494 56.208 54.840 -0.210 0.000 0.961 165 L CB -1.772 40.071 42.059 -0.360 0.000 2.095 165 L HN 2.914 nan 8.230 nan 0.000 0.838 166 G N -0.052 108.681 108.800 -0.111 0.000 2.549 166 G HA2 -0.177 3.783 3.960 0.000 0.000 0.404 166 G HA3 -0.177 3.783 3.960 0.000 0.000 0.404 166 G C -0.466 174.270 174.900 -0.274 0.000 1.292 166 G CA 0.047 45.052 45.100 -0.159 0.000 0.935 166 G HN 0.361 nan 8.290 nan 0.000 0.512 167 E N 0.946 120.938 120.200 -0.346 0.000 1.932 167 E HA 0.383 4.733 4.350 0.000 0.000 0.275 167 E C 0.616 176.805 176.600 -0.686 0.000 1.159 167 E CA -0.218 55.901 56.400 -0.469 0.000 0.905 167 E CB -0.002 29.484 29.700 -0.356 0.000 1.059 167 E HN 0.466 nan 8.360 nan 0.000 0.400 168 R N 3.117 123.213 120.500 -0.674 0.000 2.787 168 R HA 0.363 4.703 4.340 0.000 0.000 0.271 168 R C -0.160 175.676 176.300 -0.774 0.000 0.993 168 R CA -0.661 55.023 56.100 -0.693 0.000 0.993 168 R CB 0.801 30.907 30.300 -0.323 0.000 1.155 168 R HN 0.467 nan 8.270 nan 0.000 0.486 169 F N -0.659 119.260 119.950 -0.052 0.000 2.706 169 F HA 0.069 4.596 4.527 0.000 0.000 0.313 169 F C 1.327 177.105 175.800 -0.036 0.000 1.096 169 F CA -0.464 57.514 58.000 -0.037 0.000 1.219 169 F CB 0.256 39.254 39.000 -0.003 0.000 1.051 169 F HN 0.489 nan 8.300 nan 0.000 0.568 170 T N -0.454 114.131 114.554 0.052 0.000 2.652 170 T HA 0.533 4.883 4.350 0.000 0.000 0.319 170 T C 0.799 175.486 174.700 -0.022 0.000 1.029 170 T CA -0.463 61.645 62.100 0.013 0.000 0.990 170 T CB 0.586 69.443 68.868 -0.019 0.000 1.098 170 T HN 0.202 nan 8.240 nan 0.000 0.520 171 A N 0.293 123.096 122.820 -0.029 0.000 2.555 171 A HA 0.301 4.621 4.320 0.000 0.000 0.233 171 A C 1.392 178.939 177.584 -0.062 0.000 1.060 171 A CA -0.374 51.643 52.037 -0.033 0.000 0.759 171 A CB -0.511 18.474 19.000 -0.024 0.000 0.995 171 A HN 0.993 nan 8.150 nan 0.000 0.506 172 L N 3.475 124.670 121.223 -0.047 0.000 1.989 172 L HA -0.062 4.278 4.340 0.000 0.000 0.211 172 L C 1.004 177.784 176.870 -0.151 0.000 1.071 172 L CA 1.807 56.612 54.840 -0.059 0.000 0.749 172 L CB -0.371 41.692 42.059 0.008 0.000 0.890 172 L HN 0.469 nan 8.230 nan 0.000 0.431 173 V N 1.911 121.701 119.914 -0.208 0.000 2.508 173 V HA 0.081 4.201 4.120 0.000 0.000 0.281 173 V C 1.351 177.270 176.094 -0.292 0.000 1.041 173 V CA -0.172 61.862 62.300 -0.443 0.000 1.016 173 V CB 0.902 32.463 31.823 -0.437 0.000 0.984 173 V HN 0.362 nan 8.190 nan 0.000 0.478 174 R N 2.416 122.701 120.500 -0.358 0.000 2.276 174 R HA 0.069 4.409 4.340 0.000 0.000 0.196 174 R C 0.162 176.338 176.300 -0.206 0.000 0.961 174 R CA -0.085 55.863 56.100 -0.253 0.000 1.024 174 R CB -0.224 29.908 30.300 -0.280 0.000 0.940 174 R HN 0.642 nan 8.270 nan 0.000 0.480 175 N N 0.984 119.556 118.700 -0.214 0.000 2.365 175 N HA 0.038 4.778 4.740 0.000 0.000 0.265 175 N C 1.123 176.576 175.510 -0.095 0.000 1.288 175 N CA 1.488 54.452 53.050 -0.144 0.000 0.869 175 N CB 0.381 38.802 38.487 -0.110 0.000 1.071 175 N HN 0.364 nan 8.380 nan 0.000 0.480 176 G N 1.142 109.892 108.800 -0.083 0.000 2.259 176 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 176 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 176 G C -0.260 174.604 174.900 -0.060 0.000 1.001 176 G CA -0.370 44.691 45.100 -0.064 0.000 0.627 176 G HN 0.582 nan 8.290 nan 0.000 0.501 177 Q N 0.970 120.728 119.800 -0.070 0.000 2.235 177 Q HA 0.584 4.925 4.340 0.000 0.000 0.256 177 Q C 0.076 176.054 176.000 -0.037 0.000 0.951 177 Q CA -0.005 55.766 55.803 -0.054 0.000 0.890 177 Q CB 1.789 30.489 28.738 -0.063 0.000 1.279 177 Q HN 0.349 nan 8.270 nan 0.000 0.444 178 T N -0.863 113.680 114.554 -0.018 0.000 2.856 178 T HA 0.458 4.808 4.350 0.000 0.000 0.292 178 T C -0.556 174.160 174.700 0.028 0.000 0.980 178 T CA -0.666 61.440 62.100 0.010 0.000 1.091 178 T CB 1.041 69.910 68.868 0.000 0.000 0.936 178 T HN 0.457 nan 8.240 nan 0.000 0.503 179 V N 3.685 123.648 119.914 0.082 0.000 2.588 179 V HA 0.656 4.776 4.120 0.000 0.000 0.304 179 V C -1.096 175.120 176.094 0.203 0.000 1.042 179 V CA -0.698 61.662 62.300 0.100 0.000 0.877 179 V CB 1.944 33.773 31.823 0.010 0.000 0.996 179 V HN 0.982 nan 8.190 nan 0.000 0.425 180 E N 3.930 124.233 120.200 0.171 0.000 2.133 180 E HA 0.314 4.664 4.350 0.000 0.000 0.274 180 E C -0.149 176.623 176.600 0.288 0.000 0.930 180 E CA -0.355 56.169 56.400 0.205 0.000 0.770 180 E CB 1.706 31.476 29.700 0.116 0.000 1.104 180 E HN 0.898 nan 8.360 nan 0.000 0.403 181 T N 0.989 115.765 114.554 0.369 0.000 3.185 181 T HA 0.258 4.608 4.350 0.000 0.000 0.287 181 T C -0.194 174.811 174.700 0.510 0.000 1.051 181 T CA -0.727 61.608 62.100 0.392 0.000 1.051 181 T CB -0.192 68.929 68.868 0.422 0.000 1.034 181 T HN 0.415 nan 8.240 nan 0.000 0.685 182 W N 3.747 125.167 121.300 0.199 0.000 3.089 182 W HA 0.288 4.948 4.660 0.000 0.000 0.333 182 W C -1.492 175.201 176.519 0.289 0.000 1.053 182 W CA -0.929 56.553 57.345 0.229 0.000 1.257 182 W CB 1.334 30.856 29.460 0.104 0.000 1.281 182 W HN 0.324 nan 8.180 nan 0.000 0.427 183 N N 4.959 123.755 118.700 0.160 0.000 2.458 183 N HA 0.230 4.970 4.740 0.000 0.000 0.258 183 N C -0.358 175.271 175.510 0.197 0.000 1.219 183 N CA 0.569 53.705 53.050 0.142 0.000 0.902 183 N CB 0.736 39.228 38.487 0.009 0.000 1.076 183 N HN 0.374 nan 8.380 nan 0.000 0.455 184 R N 0.211 120.830 120.500 0.198 0.000 2.739 184 R HA 0.231 4.571 4.340 0.000 0.000 0.271 184 R C -1.324 175.062 176.300 0.143 0.000 1.010 184 R CA -0.793 55.436 56.100 0.215 0.000 0.897 184 R CB 1.556 31.985 30.300 0.215 0.000 1.236 184 R HN 0.364 nan 8.270 nan 0.000 0.466 185 D N 0.913 121.431 120.400 0.197 0.000 2.499 185 D HA 0.231 4.871 4.640 0.000 0.000 0.225 185 D C 0.146 176.476 176.300 0.051 0.000 1.124 185 D CA 0.031 54.130 54.000 0.165 0.000 0.938 185 D CB 0.823 41.812 40.800 0.316 0.000 1.014 185 D HN 0.757 nan 8.370 nan 0.000 0.517 186 G N 1.394 110.103 108.800 -0.151 0.000 3.596 186 G HA2 0.488 4.448 3.960 0.000 0.000 0.274 186 G HA3 0.488 4.448 3.960 0.000 0.000 0.274 186 G C 0.825 175.657 174.900 -0.113 0.000 1.007 186 G CA 0.179 45.239 45.100 -0.066 0.000 0.825 186 G HN 0.790 nan 8.290 nan 0.000 0.508 187 G N 0.245 108.916 108.800 -0.216 0.000 2.642 187 G HA2 -0.034 3.926 3.960 0.000 0.000 0.231 187 G HA3 -0.034 3.926 3.960 0.000 0.000 0.231 187 G C 0.701 175.428 174.900 -0.290 0.000 1.338 187 G CA 0.704 45.739 45.100 -0.108 0.000 0.883 187 G HN 1.168 nan 8.290 nan 0.000 0.570 188 T N -3.812 110.551 114.554 -0.318 0.000 3.174 188 T HA 0.612 4.962 4.350 0.000 0.000 0.269 188 T C 1.145 175.503 174.700 -0.570 0.000 1.017 188 T CA 1.009 62.550 62.100 -0.932 0.000 0.899 188 T CB 0.589 68.906 68.868 -0.917 0.000 1.077 188 T HN 0.897 nan 8.240 nan 0.000 0.552 189 S N 1.350 116.949 115.700 -0.170 0.000 2.666 189 S HA 0.280 4.750 4.470 0.000 0.000 0.239 189 S C 0.823 175.440 174.600 0.027 0.000 1.031 189 S CA -0.114 58.069 58.200 -0.028 0.000 1.015 189 S CB 0.723 63.924 63.200 0.001 0.000 0.981 189 S HN 0.868 nan 8.310 nan 0.000 0.547 190 T N -0.411 114.178 114.554 0.059 0.000 2.773 190 T HA 0.372 4.722 4.350 0.000 0.000 0.278 190 T C 0.770 175.544 174.700 0.123 0.000 1.011 190 T CA -0.589 61.558 62.100 0.078 0.000 1.014 190 T CB 1.253 70.153 68.868 0.054 0.000 1.293 190 T HN 0.000 nan 8.240 nan 0.000 0.554 191 E N 0.015 120.265 120.200 0.084 0.000 2.478 191 E HA -0.044 4.306 4.350 0.000 0.000 0.198 191 E C 0.229 176.876 176.600 0.079 0.000 1.046 191 E CA 0.383 56.826 56.400 0.072 0.000 0.870 191 E CB -0.060 29.668 29.700 0.046 0.000 0.818 191 E HN 0.697 nan 8.360 nan 0.000 0.527 192 Q N 0.305 120.160 119.800 0.092 0.000 2.312 192 Q HA 0.553 4.893 4.340 0.000 0.000 0.236 192 Q C -0.715 175.327 176.000 0.070 0.000 0.965 192 Q CA -0.190 55.662 55.803 0.081 0.000 0.894 192 Q CB 1.624 30.399 28.738 0.062 0.000 1.225 192 Q HN 0.264 nan 8.270 nan 0.000 0.478 193 A N 1.060 123.904 122.820 0.039 0.000 2.449 193 A HA 0.416 4.736 4.320 0.000 0.000 0.302 193 A C -1.020 176.575 177.584 0.019 0.000 1.048 193 A CA -0.656 51.388 52.037 0.011 0.000 0.708 193 A CB 0.497 19.467 19.000 -0.049 0.000 1.274 193 A HN 0.813 nan 8.150 nan 0.000 0.410 194 Y N 0.838 121.224 120.300 0.143 0.000 2.439 194 Y HA 0.038 4.588 4.550 0.000 0.000 0.292 194 Y C 0.707 176.643 175.900 0.060 0.000 1.130 194 Y CA 1.219 59.378 58.100 0.098 0.000 1.254 194 Y CB 0.091 38.597 38.460 0.076 0.000 1.000 194 Y HN 0.499 nan 8.280 nan 0.000 0.554 195 K N 1.460 121.965 120.400 0.175 0.000 2.530 195 K HA 0.235 4.555 4.320 0.000 0.000 0.230 195 K C -1.019 175.571 176.600 -0.016 0.000 1.002 195 K CA -0.272 56.031 56.287 0.026 0.000 1.014 195 K CB 0.650 33.059 32.500 -0.152 0.000 1.286 195 K HN 0.071 nan 8.250 nan 0.000 0.480 196 N N 3.385 122.129 118.700 0.073 0.000 2.443 196 N HA 0.448 5.188 4.740 0.000 0.000 0.295 196 N C -0.759 174.832 175.510 0.135 0.000 1.076 196 N CA -0.416 52.694 53.050 0.100 0.000 0.919 196 N CB 1.594 40.194 38.487 0.190 0.000 1.176 196 N HN 0.280 nan 8.380 nan 0.000 0.487 197 I N 2.773 123.413 120.570 0.116 0.000 2.571 197 I HA 0.196 4.366 4.170 0.000 0.000 0.286 197 I C -2.342 173.861 176.117 0.144 0.000 1.134 197 I CA -1.916 59.472 61.300 0.146 0.000 1.052 197 I CB 2.087 40.166 38.000 0.133 0.000 1.237 197 I HN 0.235 nan 8.210 nan 0.000 0.435 198 P HA 0.154 nan 4.420 nan 0.000 0.228 198 P C -0.605 176.865 177.300 0.284 0.000 1.748 198 P CA 0.174 63.490 63.100 0.359 0.000 0.909 198 P CB -0.575 31.478 31.700 0.588 0.000 1.882 199 F N 2.834 122.732 119.950 -0.086 0.000 2.529 199 F HA 0.552 5.079 4.527 0.000 0.000 0.320 199 F C -1.305 174.359 175.800 -0.228 0.000 1.118 199 F CA -1.353 56.522 58.000 -0.208 0.000 0.915 199 F CB 1.506 40.246 39.000 -0.433 0.000 1.161 199 F HN -0.027 nan 8.300 nan 0.000 0.445 200 Y N 5.098 124.729 120.300 -1.115 0.000 2.605 200 Y HA 0.845 5.395 4.550 0.000 0.000 0.343 200 Y C -1.206 173.950 175.900 -1.240 0.000 1.036 200 Y CA -1.793 55.699 58.100 -1.014 0.000 1.065 200 Y CB 1.568 39.679 38.460 -0.581 0.000 1.288 200 Y HN 0.786 nan 8.280 nan 0.000 0.481 201 M N 1.129 120.400 119.600 -0.549 0.000 2.631 201 M HA 0.839 5.319 4.480 0.000 0.000 0.288 201 M C -1.149 175.074 176.300 -0.128 0.000 1.260 201 M CA -0.704 54.337 55.300 -0.431 0.000 0.842 201 M CB 2.518 34.912 32.600 -0.344 0.000 1.743 201 M HN 0.890 nan 8.290 nan 0.000 0.461 202 T N -2.339 112.049 114.554 -0.277 0.000 2.888 202 T HA 0.436 4.786 4.350 0.000 0.000 0.288 202 T C 0.302 174.941 174.700 -0.102 0.000 1.063 202 T CA -0.590 61.421 62.100 -0.148 0.000 1.010 202 T CB 1.176 69.854 68.868 -0.317 0.000 1.214 202 T HN 0.848 nan 8.240 nan 0.000 0.533 203 N N 0.184 118.898 118.700 0.022 0.000 2.434 203 N HA -0.008 4.732 4.740 0.000 0.000 0.196 203 N C 0.782 176.280 175.510 -0.019 0.000 1.183 203 N CA -0.203 52.842 53.050 -0.008 0.000 0.849 203 N CB -0.244 38.273 38.487 0.049 0.000 0.992 203 N HN 0.496 nan 8.380 nan 0.000 0.460 204 R N -0.205 120.272 120.500 -0.039 0.000 2.393 204 R HA 0.235 4.575 4.340 0.000 0.000 0.244 204 R C 0.581 176.932 176.300 0.084 0.000 0.920 204 R CA 0.427 56.561 56.100 0.057 0.000 1.076 204 R CB -0.185 30.224 30.300 0.183 0.000 1.119 204 R HN 0.352 nan 8.270 nan 0.000 0.524 205 G N 1.753 110.539 108.800 -0.024 0.000 2.165 205 G HA2 -0.292 3.668 3.960 0.000 0.000 0.226 205 G HA3 -0.292 3.668 3.960 0.000 0.000 0.226 205 G C -0.347 174.609 174.900 0.094 0.000 1.035 205 G CA 0.540 45.650 45.100 0.018 0.000 0.744 205 G HN 0.501 nan 8.290 nan 0.000 0.501 206 Y N -2.213 118.084 120.300 -0.005 0.000 2.615 206 Y HA 0.828 5.378 4.550 0.000 0.000 0.341 206 Y C 0.271 176.126 175.900 -0.075 0.000 1.089 206 Y CA -1.260 56.828 58.100 -0.021 0.000 1.049 206 Y CB 0.963 39.410 38.460 -0.022 0.000 1.296 206 Y HN 0.743 nan 8.280 nan 0.000 0.470 207 G N 0.044 108.866 108.800 0.037 0.000 2.680 207 G HA2 0.625 4.585 3.960 0.000 0.000 0.290 207 G HA3 0.625 4.585 3.960 0.000 0.000 0.290 207 G C -2.052 172.745 174.900 -0.172 0.000 1.355 207 G CA -0.817 44.136 45.100 -0.245 0.000 0.903 207 G HN 1.468 nan 8.290 nan 0.000 0.474 208 V N 0.253 119.800 119.914 -0.613 0.000 2.777 208 V HA 0.746 4.866 4.120 0.000 0.000 0.306 208 V C -1.791 174.213 176.094 -0.151 0.000 1.112 208 V CA -0.897 61.202 62.300 -0.334 0.000 0.917 208 V CB 1.580 33.180 31.823 -0.372 0.000 1.018 208 V HN 0.931 nan 8.190 nan 0.000 0.426 209 L N 7.376 128.778 121.223 0.298 0.000 2.287 209 L HA 0.746 5.087 4.340 0.000 0.000 0.287 209 L C -0.645 176.460 176.870 0.391 0.000 1.022 209 L CA -0.015 55.100 54.840 0.458 0.000 0.814 209 L CB 1.759 44.216 42.059 0.662 0.000 1.217 209 L HN 0.588 nan 8.230 nan 0.000 0.420 210 V N 5.030 125.126 119.914 0.303 0.000 2.364 210 V HA 0.272 4.392 4.120 0.000 0.000 0.272 210 V C 0.423 176.779 176.094 0.437 0.000 1.036 210 V CA -0.546 61.902 62.300 0.246 0.000 0.880 210 V CB 0.916 32.711 31.823 -0.047 0.000 0.991 210 V HN 0.794 nan 8.190 nan 0.000 0.460 211 N N 4.387 123.304 118.700 0.362 0.000 3.303 211 N HA 0.079 4.819 4.740 0.000 0.000 0.304 211 N C -0.429 174.968 175.510 -0.188 0.000 1.302 211 N CA 0.070 53.295 53.050 0.292 0.000 1.213 211 N CB -0.421 38.266 38.487 0.333 0.000 1.481 211 N HN 0.710 nan 8.380 nan 0.000 0.546 212 H N 0.145 119.343 119.070 0.213 0.000 3.018 212 H HA 0.225 4.781 4.556 0.000 0.000 0.334 212 H C -2.038 173.241 175.328 -0.083 0.000 0.983 212 H CA -1.270 54.784 56.048 0.010 0.000 1.363 212 H CB 2.204 32.001 29.762 0.058 0.000 1.668 212 H HN 0.220 nan 8.280 nan 0.000 0.513 213 P HA -0.107 nan 4.420 nan 0.000 0.227 213 P C 1.035 178.426 177.300 0.152 0.000 1.161 213 P CA 0.616 63.571 63.100 -0.242 0.000 0.788 213 P CB 0.540 31.953 31.700 -0.478 0.000 0.822 214 Q N -0.010 119.898 119.800 0.181 0.000 2.700 214 Q HA -0.038 4.302 4.340 0.000 0.000 0.191 214 Q C 0.116 176.344 176.000 0.380 0.000 1.134 214 Q CA -0.096 55.893 55.803 0.311 0.000 1.193 214 Q CB -0.751 28.116 28.738 0.215 0.000 1.250 214 Q HN -0.005 nan 8.270 nan 0.000 0.670 215 C N 1.336 120.863 119.300 0.379 0.000 2.651 215 C HA 0.340 4.800 4.460 0.000 0.000 0.410 215 C C -0.011 175.087 174.990 0.180 0.000 1.372 215 C CA -0.397 58.798 59.018 0.295 0.000 1.707 215 C CB -1.211 26.506 27.740 -0.039 0.000 2.501 215 C HN 0.434 nan 8.230 nan 0.000 0.598 216 V N 6.847 126.899 119.914 0.229 0.000 2.427 216 V HA 0.423 4.543 4.120 0.000 0.000 0.286 216 V C 0.331 176.475 176.094 0.084 0.000 1.034 216 V CA -0.083 62.276 62.300 0.097 0.000 0.893 216 V CB 1.798 33.675 31.823 0.089 0.000 0.982 216 V HN 0.901 nan 8.190 nan 0.000 0.452 217 S N 5.137 120.808 115.700 -0.049 0.000 2.461 217 S HA 0.627 5.097 4.470 0.000 0.000 0.322 217 S C -0.906 173.661 174.600 -0.055 0.000 1.063 217 S CA -0.437 57.762 58.200 -0.001 0.000 1.120 217 S CB -0.197 62.968 63.200 -0.058 0.000 0.968 217 S HN 0.394 nan 8.310 nan 0.000 0.467 218 F N 3.035 123.030 119.950 0.075 0.000 2.408 218 F HA 0.428 4.955 4.527 0.000 0.000 0.344 218 F C 0.858 176.660 175.800 0.004 0.000 1.112 218 F CA -0.617 57.432 58.000 0.082 0.000 1.096 218 F CB 1.259 40.288 39.000 0.050 0.000 1.129 218 F HN 0.398 nan 8.300 nan 0.000 0.486 219 E N 3.589 123.870 120.200 0.135 0.000 2.121 219 E HA 0.228 4.578 4.350 0.000 0.000 0.255 219 E C -0.886 175.727 176.600 0.022 0.000 0.906 219 E CA -0.339 56.084 56.400 0.039 0.000 0.745 219 E CB 1.635 31.319 29.700 -0.028 0.000 1.155 219 E HN 0.239 nan 8.360 nan 0.000 0.424 220 V N 1.949 121.858 119.914 -0.009 0.000 2.299 220 V HA 0.237 4.357 4.120 0.000 0.000 0.255 220 V C 1.383 177.421 176.094 -0.094 0.000 1.100 220 V CA 0.280 62.528 62.300 -0.086 0.000 0.938 220 V CB 0.289 32.012 31.823 -0.166 0.000 1.139 220 V HN 0.918 nan 8.190 nan 0.000 0.490 221 G N 4.534 113.287 108.800 -0.078 0.000 2.187 221 G HA2 -0.312 3.648 3.960 0.000 0.000 0.261 221 G HA3 -0.312 3.648 3.960 0.000 0.000 0.261 221 G C 0.879 175.742 174.900 -0.063 0.000 1.000 221 G CA 0.817 45.876 45.100 -0.070 0.000 0.718 221 G HN 1.016 nan 8.290 nan 0.000 0.519 222 S N -1.794 113.872 115.700 -0.058 0.000 2.512 222 S HA 0.362 4.832 4.470 0.000 0.000 0.216 222 S C 1.410 175.974 174.600 -0.060 0.000 1.006 222 S CA 0.920 59.087 58.200 -0.055 0.000 0.915 222 S CB 0.638 63.809 63.200 -0.047 0.000 0.824 222 S HN 0.665 nan 8.310 nan 0.000 0.497 223 E N 0.981 121.140 120.200 -0.068 0.000 2.280 223 E HA 0.214 4.564 4.350 0.000 0.000 0.197 223 E C -0.463 176.086 176.600 -0.085 0.000 0.913 223 E CA 0.057 56.407 56.400 -0.083 0.000 0.995 223 E CB 0.489 30.128 29.700 -0.103 0.000 0.991 223 E HN 0.019 nan 8.360 nan 0.000 0.484 224 K N 1.933 122.286 120.400 -0.078 0.000 2.339 224 K HA 0.163 4.483 4.320 0.000 0.000 0.264 224 K C 0.800 177.362 176.600 -0.063 0.000 0.986 224 K CA -0.108 56.133 56.287 -0.076 0.000 0.866 224 K CB 1.895 34.353 32.500 -0.069 0.000 1.103 224 K HN 0.193 nan 8.250 nan 0.000 0.441 225 V N 0.109 119.987 119.914 -0.062 0.000 2.809 225 V HA -0.086 4.034 4.120 0.000 0.000 0.256 225 V C 1.094 177.161 176.094 -0.045 0.000 1.080 225 V CA 1.591 63.859 62.300 -0.053 0.000 1.102 225 V CB -0.376 31.418 31.823 -0.050 0.000 0.705 225 V HN 0.623 nan 8.190 nan 0.000 0.475 226 S N -1.034 114.642 115.700 -0.039 0.000 2.561 226 S HA 0.512 4.982 4.470 0.000 0.000 0.245 226 S C -0.023 174.571 174.600 -0.011 0.000 1.001 226 S CA -0.608 57.578 58.200 -0.023 0.000 1.002 226 S CB -0.266 62.923 63.200 -0.018 0.000 0.805 226 S HN 0.649 nan 8.310 nan 0.000 0.458 227 K N 0.460 120.848 120.400 -0.020 0.000 2.523 227 K HA 0.538 4.858 4.320 0.000 0.000 0.257 227 K C -1.473 175.114 176.600 -0.022 0.000 0.932 227 K CA -0.566 55.718 56.287 -0.005 0.000 0.812 227 K CB 2.458 34.950 32.500 -0.012 0.000 1.326 227 K HN 0.047 nan 8.250 nan 0.000 0.433 228 V N 3.105 123.018 119.914 -0.003 0.000 2.389 228 V HA 0.179 4.299 4.120 0.000 0.000 0.264 228 V C -0.069 176.060 176.094 0.059 0.000 1.049 228 V CA -0.370 61.929 62.300 -0.002 0.000 0.932 228 V CB 0.867 32.616 31.823 -0.124 0.000 1.011 228 V HN 0.649 nan 8.190 nan 0.000 0.475 229 Q N 5.339 125.152 119.800 0.022 0.000 2.243 229 Q HA 0.605 4.945 4.340 0.000 0.000 0.252 229 Q C -1.294 174.703 176.000 -0.005 0.000 0.909 229 Q CA -0.520 55.239 55.803 -0.073 0.000 0.922 229 Q CB 1.193 29.891 28.738 -0.067 0.000 1.215 229 Q HN 0.711 nan 8.270 nan 0.000 0.427 230 F N 0.498 120.384 119.950 -0.107 0.000 2.578 230 F HA 0.743 5.270 4.527 0.000 0.000 0.311 230 F C -1.040 174.652 175.800 -0.179 0.000 1.094 230 F CA -0.937 56.865 58.000 -0.331 0.000 0.923 230 F CB 1.567 40.132 39.000 -0.725 0.000 1.230 230 F HN 0.452 nan 8.300 nan 0.000 0.450 231 S N 1.757 117.440 115.700 -0.028 0.000 2.569 231 S HA 0.889 5.359 4.470 0.000 0.000 0.280 231 S C -1.819 172.775 174.600 -0.009 0.000 1.111 231 S CA -0.847 57.357 58.200 0.007 0.000 0.887 231 S CB 1.811 64.965 63.200 -0.076 0.000 1.095 231 S HN 1.368 nan 8.310 nan 0.000 0.476 232 V N 0.838 120.769 119.914 0.028 0.000 2.932 232 V HA 0.520 4.640 4.120 0.000 0.000 0.307 232 V C -1.028 175.101 176.094 0.058 0.000 1.147 232 V CA -0.662 61.615 62.300 -0.040 0.000 0.951 232 V CB 1.898 33.509 31.823 -0.354 0.000 1.031 232 V HN 1.124 nan 8.190 nan 0.000 0.426 233 E N 3.938 124.159 120.200 0.034 0.000 2.029 233 E HA 0.537 4.887 4.350 0.000 0.000 0.276 233 E C -0.565 175.933 176.600 -0.170 0.000 1.163 233 E CA 0.285 56.561 56.400 -0.207 0.000 0.909 233 E CB 0.482 30.011 29.700 -0.286 0.000 1.046 233 E HN 0.779 nan 8.360 nan 0.000 0.406 234 S N 3.247 118.862 115.700 -0.141 0.000 2.597 234 S HA 0.088 4.558 4.470 0.000 0.000 0.274 234 S C -0.089 174.543 174.600 0.053 0.000 1.132 234 S CA -0.722 57.426 58.200 -0.086 0.000 0.835 234 S CB 1.290 64.319 63.200 -0.286 0.000 1.092 234 S HN 0.510 nan 8.310 nan 0.000 0.457 235 E N 0.801 121.101 120.200 0.165 0.000 2.502 235 E HA 0.167 4.517 4.350 0.000 0.000 0.194 235 E C -0.229 176.568 176.600 0.327 0.000 1.062 235 E CA 0.586 57.148 56.400 0.270 0.000 0.867 235 E CB 0.013 29.870 29.700 0.261 0.000 0.888 235 E HN 0.616 nan 8.360 nan 0.000 0.510 236 Y N -1.895 118.514 120.300 0.182 0.000 2.615 236 Y HA 0.613 5.163 4.550 0.000 0.000 0.341 236 Y C -1.319 174.730 175.900 0.247 0.000 1.089 236 Y CA -1.770 56.447 58.100 0.194 0.000 1.049 236 Y CB 0.920 39.473 38.460 0.154 0.000 1.296 236 Y HN -0.210 nan 8.280 nan 0.000 0.470 237 L N 2.395 123.782 121.223 0.274 0.000 2.362 237 L HA 0.645 4.985 4.340 0.000 0.000 0.275 237 L C -1.149 176.035 176.870 0.523 0.000 0.998 237 L CA -0.623 54.412 54.840 0.324 0.000 0.820 237 L CB 1.950 44.178 42.059 0.282 0.000 1.270 237 L HN 0.921 nan 8.230 nan 0.000 0.415 238 E N 3.800 124.375 120.200 0.626 0.000 2.275 238 E HA 0.554 4.904 4.350 0.000 0.000 0.270 238 E C -2.019 174.689 176.600 0.179 0.000 0.882 238 E CA -0.594 55.946 56.400 0.233 0.000 0.758 238 E CB 1.639 31.437 29.700 0.164 0.000 1.195 238 E HN 0.571 nan 8.360 nan 0.000 0.419 239 Y N 1.104 121.322 120.300 -0.136 0.000 2.615 239 Y HA 0.707 5.257 4.550 0.000 0.000 0.341 239 Y C -1.724 173.912 175.900 -0.440 0.000 1.089 239 Y CA -1.487 56.529 58.100 -0.140 0.000 1.049 239 Y CB 1.042 39.552 38.460 0.083 0.000 1.296 239 Y HN 0.268 nan 8.280 nan 0.000 0.470 240 F N 1.092 121.186 119.950 0.241 0.000 2.493 240 F HA 0.622 5.149 4.527 0.000 0.000 0.329 240 F C -0.659 175.191 175.800 0.082 0.000 1.126 240 F CA -1.261 56.781 58.000 0.070 0.000 0.937 240 F CB 2.118 41.194 39.000 0.126 0.000 1.146 240 F HN 0.334 nan 8.300 nan 0.000 0.442 241 V N 5.094 125.074 119.914 0.110 0.000 2.432 241 V HA 0.360 4.480 4.120 0.000 0.000 0.275 241 V C 0.088 176.216 176.094 0.057 0.000 1.043 241 V CA -0.505 61.789 62.300 -0.010 0.000 0.925 241 V CB 1.223 32.829 31.823 -0.362 0.000 0.985 241 V HN 0.551 nan 8.190 nan 0.000 0.466 242 I N 3.704 124.339 120.570 0.108 0.000 2.382 242 I HA 0.330 4.500 4.170 0.000 0.000 0.285 242 I C -0.211 175.980 176.117 0.124 0.000 1.007 242 I CA -0.466 60.902 61.300 0.114 0.000 1.142 242 I CB 1.694 39.819 38.000 0.209 0.000 1.289 242 I HN 0.545 nan 8.210 nan 0.000 0.453 243 D N 4.210 124.658 120.400 0.080 0.000 2.362 243 D HA 0.310 4.950 4.640 0.000 0.000 0.242 243 D C 0.689 177.035 176.300 0.076 0.000 1.132 243 D CA 0.326 54.378 54.000 0.086 0.000 0.907 243 D CB 1.624 42.453 40.800 0.048 0.000 1.195 243 D HN 0.594 nan 8.370 nan 0.000 0.429 244 G N 1.020 109.867 108.800 0.079 0.000 2.756 244 G HA2 0.111 4.071 3.960 0.000 0.000 0.203 244 G HA3 0.111 4.071 3.960 0.000 0.000 0.203 244 G C -1.478 173.436 174.900 0.023 0.000 2.015 244 G CA -0.084 45.043 45.100 0.044 0.000 0.835 244 G HN 0.601 nan 8.290 nan 0.000 0.648 245 P HA 0.157 nan 4.420 nan 0.000 0.257 245 P C 0.215 177.525 177.300 0.017 0.000 1.281 245 P CA 0.644 63.764 63.100 0.034 0.000 0.826 245 P CB 0.122 31.840 31.700 0.030 0.000 1.237 246 T N -4.368 110.184 114.554 -0.003 0.000 2.945 246 T HA 0.437 4.787 4.350 0.000 0.000 0.286 246 T C -2.135 172.542 174.700 -0.039 0.000 1.025 246 T CA -2.296 59.788 62.100 -0.026 0.000 1.039 246 T CB 1.835 70.680 68.868 -0.038 0.000 1.068 246 T HN -0.351 nan 8.240 nan 0.000 0.497 247 P HA -0.091 nan 4.420 nan 0.000 0.216 247 P C 1.398 178.659 177.300 -0.066 0.000 1.153 247 P CA 1.299 64.346 63.100 -0.088 0.000 0.858 247 P CB 0.085 31.697 31.700 -0.147 0.000 0.789 248 K N -0.744 119.611 120.400 -0.074 0.000 2.097 248 K HA -0.064 4.256 4.320 0.000 0.000 0.206 248 K C 2.101 178.672 176.600 -0.048 0.000 1.049 248 K CA 1.534 57.779 56.287 -0.070 0.000 0.933 248 K CB -0.568 31.883 32.500 -0.083 0.000 0.717 248 K HN 0.071 nan 8.250 nan 0.000 0.442 249 A N 1.007 123.806 122.820 -0.035 0.000 1.968 249 A HA -0.061 4.259 4.320 0.000 0.000 0.217 249 A C 2.332 179.917 177.584 0.002 0.000 1.169 249 A CA 0.854 52.878 52.037 -0.021 0.000 0.638 249 A CB -0.432 18.558 19.000 -0.016 0.000 0.812 249 A HN 0.038 nan 8.150 nan 0.000 0.446 250 V N 0.227 120.152 119.914 0.019 0.000 2.282 250 V HA -0.293 3.827 4.120 0.000 0.000 0.249 250 V C 2.526 178.668 176.094 0.080 0.000 1.057 250 V CA 2.166 64.508 62.300 0.070 0.000 1.032 250 V CB -0.735 31.142 31.823 0.089 0.000 0.645 250 V HN 0.583 nan 8.190 nan 0.000 0.447 251 L N -0.333 120.909 121.223 0.032 0.000 2.179 251 L HA -0.106 4.234 4.340 0.000 0.000 0.208 251 L C 2.404 179.261 176.870 -0.021 0.000 1.096 251 L CA 1.341 56.182 54.840 0.001 0.000 0.779 251 L CB -0.588 41.445 42.059 -0.044 0.000 0.922 251 L HN 0.380 nan 8.230 nan 0.000 0.443 252 D N 0.698 121.078 120.400 -0.034 0.000 2.092 252 D HA -0.204 4.436 4.640 0.000 0.000 0.193 252 D C 2.300 178.573 176.300 -0.045 0.000 0.994 252 D CA 1.567 55.536 54.000 -0.052 0.000 0.828 252 D CB 0.120 40.891 40.800 -0.048 0.000 0.963 252 D HN 0.114 nan 8.370 nan 0.000 0.450 253 R N -1.232 119.259 120.500 -0.016 0.000 2.075 253 R HA -0.144 4.196 4.340 0.000 0.000 0.232 253 R C 2.421 178.722 176.300 0.001 0.000 1.126 253 R CA 1.028 57.116 56.100 -0.019 0.000 0.963 253 R CB -0.533 29.759 30.300 -0.013 0.000 0.858 253 R HN 0.330 nan 8.270 nan 0.000 0.435 254 Y N 1.906 122.141 120.300 -0.109 0.000 2.165 254 Y HA -0.266 4.284 4.550 0.000 0.000 0.286 254 Y C 2.437 178.200 175.900 -0.229 0.000 1.155 254 Y CA 2.150 60.136 58.100 -0.190 0.000 1.164 254 Y CB -0.401 37.751 38.460 -0.513 0.000 0.978 254 Y HN 0.093 nan 8.280 nan 0.000 0.513 255 T N -1.535 112.839 114.554 -0.300 0.000 2.985 255 T HA -0.114 4.236 4.350 0.000 0.000 0.266 255 T C 1.996 176.507 174.700 -0.316 0.000 1.076 255 T CA 1.062 62.920 62.100 -0.404 0.000 1.135 255 T CB -0.459 68.247 68.868 -0.270 0.000 0.890 255 T HN 0.412 nan 8.240 nan 0.000 0.480 256 R N -0.325 120.060 120.500 -0.192 0.000 2.096 256 R HA -0.064 4.276 4.340 0.000 0.000 0.235 256 R C 2.130 178.364 176.300 -0.109 0.000 1.127 256 R CA 1.229 57.251 56.100 -0.131 0.000 0.968 256 R CB -0.469 29.783 30.300 -0.081 0.000 0.861 256 R HN 0.412 nan 8.270 nan 0.000 0.440 257 F N 1.046 120.785 119.950 -0.353 0.000 2.163 257 F HA -0.053 4.474 4.527 0.000 0.000 0.297 257 F C 2.045 177.572 175.800 -0.456 0.000 1.094 257 F CA 1.900 59.669 58.000 -0.385 0.000 1.290 257 F CB -0.332 38.427 39.000 -0.402 0.000 1.017 257 F HN 0.140 nan 8.300 nan 0.000 0.483 258 T N -2.672 111.436 114.554 -0.743 0.000 2.985 258 T HA 0.550 4.900 4.350 0.000 0.000 0.254 258 T C 0.710 175.042 174.700 -0.613 0.000 1.021 258 T CA 0.300 61.887 62.100 -0.855 0.000 0.957 258 T CB 0.156 68.334 68.868 -1.149 0.000 1.047 258 T HN 0.558 nan 8.240 nan 0.000 0.511 259 G N 1.163 109.648 108.800 -0.525 0.000 2.312 259 G HA2 0.305 4.265 3.960 0.000 0.000 0.322 259 G HA3 0.305 4.265 3.960 0.000 0.000 0.322 259 G C -1.516 173.142 174.900 -0.405 0.000 1.645 259 G CA -1.255 43.592 45.100 -0.422 0.000 0.919 259 G HN 0.281 nan 8.290 nan 0.000 0.699 260 R N 1.268 121.585 120.500 -0.305 0.000 2.410 260 R HA 0.482 4.822 4.340 0.000 0.000 0.288 260 R C -2.384 173.755 176.300 -0.268 0.000 1.051 260 R CA -1.993 53.957 56.100 -0.249 0.000 1.021 260 R CB 0.715 30.921 30.300 -0.156 0.000 1.032 260 R HN 0.309 nan 8.270 nan 0.000 0.481 261 P HA -0.022 nan 4.420 nan 0.000 0.265 261 P C -0.564 176.730 177.300 -0.011 0.000 1.193 261 P CA 0.318 63.342 63.100 -0.127 0.000 0.765 261 P CB 0.542 32.213 31.700 -0.049 0.000 0.823 262 A N 3.509 126.317 122.820 -0.021 0.000 2.313 262 A HA 0.332 4.652 4.320 0.000 0.000 0.261 262 A C -0.284 177.396 177.584 0.161 0.000 1.090 262 A CA -0.305 51.780 52.037 0.081 0.000 0.807 262 A CB -0.145 18.955 19.000 0.168 0.000 1.055 262 A HN 0.575 nan 8.150 nan 0.000 0.492 263 L N 2.765 124.068 121.223 0.133 0.000 2.283 263 L HA 0.450 4.790 4.340 0.000 0.000 0.287 263 L C -2.189 174.707 176.870 0.043 0.000 1.073 263 L CA -1.694 53.186 54.840 0.067 0.000 0.822 263 L CB 0.476 42.570 42.059 0.059 0.000 1.186 263 L HN 0.363 nan 8.230 nan 0.000 0.436 264 P HA 0.253 nan 4.420 nan 0.000 0.271 264 P C -2.641 174.786 177.300 0.211 0.000 1.218 264 P CA -1.248 61.830 63.100 -0.037 0.000 0.780 264 P CB -0.206 31.314 31.700 -0.301 0.000 0.901 265 P HA -0.068 nan 4.420 nan 0.000 0.269 265 P C 0.326 177.672 177.300 0.077 0.000 1.217 265 P CA 0.118 63.203 63.100 -0.025 0.000 0.783 265 P CB 0.574 32.047 31.700 -0.380 0.000 0.898 266 A N 2.898 125.727 122.820 0.016 0.000 1.930 266 A HA -0.132 4.188 4.320 0.000 0.000 0.217 266 A C 2.097 179.841 177.584 0.268 0.000 1.175 266 A CA 1.157 53.207 52.037 0.021 0.000 0.627 266 A CB -1.635 17.225 19.000 -0.233 0.000 0.815 266 A HN 0.835 nan 8.150 nan 0.000 0.443 267 W N 1.060 122.468 121.300 0.180 0.000 2.364 267 W HA -0.190 4.470 4.660 0.000 0.000 0.281 267 W C 1.777 178.411 176.519 0.192 0.000 1.219 267 W CA 1.421 58.838 57.345 0.120 0.000 1.220 267 W CB -1.364 28.113 29.460 0.030 0.000 1.127 267 W HN 0.515 nan 8.180 nan 0.000 0.556 268 S N 0.494 116.135 115.700 -0.097 0.000 2.474 268 S HA -0.165 4.305 4.470 0.000 0.000 0.235 268 S C 1.413 176.220 174.600 0.345 0.000 0.997 268 S CA 0.691 58.919 58.200 0.047 0.000 0.949 268 S CB -1.390 61.646 63.200 -0.273 0.000 0.766 268 S HN 0.199 nan 8.310 nan 0.000 0.517 269 F N 2.565 122.603 119.950 0.146 0.000 2.802 269 F HA 0.333 4.860 4.527 0.000 0.000 0.300 269 F C 1.924 177.773 175.800 0.081 0.000 1.168 269 F CA -0.086 57.904 58.000 -0.016 0.000 1.433 269 F CB -0.549 38.436 39.000 -0.025 0.000 1.115 269 F HN 0.336 nan 8.300 nan 0.000 0.582 270 G N 0.025 108.995 108.800 0.283 0.000 2.508 270 G HA2 0.312 4.272 3.960 0.000 0.000 0.278 270 G HA3 0.312 4.272 3.960 0.000 0.000 0.278 270 G C -1.048 174.133 174.900 0.469 0.000 1.389 270 G CA -0.599 44.608 45.100 0.178 0.000 1.050 270 G HN -0.006 nan 8.290 nan 0.000 0.522 271 L N 0.083 121.697 121.223 0.652 0.000 2.315 271 L HA 0.457 4.797 4.340 0.000 0.000 0.283 271 L C -0.913 176.194 176.870 0.395 0.000 1.089 271 L CA -0.951 54.158 54.840 0.449 0.000 0.833 271 L CB 0.171 42.411 42.059 0.302 0.000 1.170 271 L HN 0.406 nan 8.230 nan 0.000 0.442 272 W N 6.056 127.397 121.300 0.069 0.000 2.313 272 W HA 0.517 5.177 4.660 0.000 0.000 0.328 272 W C -0.343 176.113 176.519 -0.105 0.000 1.197 272 W CA -0.512 56.801 57.345 -0.054 0.000 1.235 272 W CB 0.584 29.921 29.460 -0.205 0.000 1.158 272 W HN 0.299 nan 8.180 nan 0.000 0.578 273 L N 2.674 123.923 121.223 0.042 0.000 2.385 273 L HA 0.590 4.930 4.340 0.000 0.000 0.273 273 L C -0.728 175.929 176.870 -0.356 0.000 0.990 273 L CA -0.384 54.390 54.840 -0.111 0.000 0.821 273 L CB 1.995 44.009 42.059 -0.075 0.000 1.279 273 L HN 0.400 nan 8.230 nan 0.000 0.412 274 T N 0.977 115.327 114.554 -0.339 0.000 2.841 274 T HA 0.119 4.469 4.350 0.000 0.000 0.283 274 T C 0.851 175.178 174.700 -0.621 0.000 1.000 274 T CA -0.357 61.465 62.100 -0.463 0.000 0.977 274 T CB 1.889 70.764 68.868 0.012 0.000 0.979 274 T HN 0.645 nan 8.240 nan 0.000 0.446 275 T N 2.255 116.404 114.554 -0.675 0.000 2.929 275 T HA 0.043 4.393 4.350 0.000 0.000 0.271 275 T C 0.584 175.100 174.700 -0.306 0.000 1.085 275 T CA 1.458 63.241 62.100 -0.528 0.000 1.125 275 T CB -0.408 68.127 68.868 -0.556 0.000 0.874 275 T HN 0.792 nan 8.240 nan 0.000 0.494 276 S N -2.100 113.381 115.700 -0.365 0.000 4.142 276 S HA -0.107 4.363 4.470 0.000 0.000 0.650 276 S C -0.353 174.270 174.600 0.039 0.000 0.953 276 S CA -0.147 57.822 58.200 -0.385 0.000 1.129 276 S CB -1.500 61.577 63.200 -0.206 0.000 0.339 276 S HN 0.247 nan 8.310 nan 0.000 1.455 277 F N 2.223 122.112 119.950 -0.102 0.000 2.084 277 F HA 0.135 4.662 4.527 0.000 0.000 0.283 277 F C 2.650 178.662 175.800 0.352 0.000 1.141 277 F CA 2.365 60.470 58.000 0.175 0.000 1.146 277 F CB -1.298 37.811 39.000 0.182 0.000 1.035 277 F HN 0.795 nan 8.300 nan 0.000 0.485 278 T N -1.521 112.975 114.554 -0.096 0.000 3.107 278 T HA 0.100 4.450 4.350 0.000 0.000 0.249 278 T C 0.908 175.476 174.700 -0.219 0.000 1.096 278 T CA 0.426 62.324 62.100 -0.336 0.000 1.012 278 T CB -1.672 66.921 68.868 -0.459 0.000 0.977 278 T HN 0.453 nan 8.240 nan 0.000 0.527 279 T N 1.700 116.268 114.554 0.023 0.000 2.933 279 T HA 0.072 4.422 4.350 0.000 0.000 0.306 279 T C 0.226 174.950 174.700 0.040 0.000 1.045 279 T CA -0.561 61.609 62.100 0.116 0.000 1.143 279 T CB -0.088 69.032 68.868 0.420 0.000 1.003 279 T HN 0.330 nan 8.240 nan 0.000 0.540 280 N N 2.284 120.938 118.700 -0.077 0.000 2.374 280 N HA 0.381 5.121 4.740 0.000 0.000 0.241 280 N C -0.847 174.747 175.510 0.139 0.000 1.262 280 N CA 0.253 53.217 53.050 -0.143 0.000 0.880 280 N CB -0.017 38.387 38.487 -0.139 0.000 1.105 280 N HN 0.864 nan 8.380 nan 0.000 0.438 281 Y N -1.378 118.948 120.300 0.043 0.000 2.643 281 Y HA 0.290 4.840 4.550 0.000 0.000 0.347 281 Y C -1.895 174.064 175.900 0.098 0.000 1.208 281 Y CA -1.239 56.958 58.100 0.163 0.000 1.245 281 Y CB 0.468 39.129 38.460 0.334 0.000 1.369 281 Y HN 0.551 nan 8.280 nan 0.000 0.487 282 D N 1.074 121.671 120.400 0.328 0.000 2.752 282 D HA 0.150 4.790 4.640 0.000 0.000 0.313 282 D C 0.124 176.711 176.300 0.477 0.000 1.225 282 D CA -0.430 53.642 54.000 0.121 0.000 0.976 282 D CB 1.752 42.523 40.800 -0.048 0.000 1.443 282 D HN 0.830 nan 8.370 nan 0.000 0.515 283 E N -0.211 120.278 120.200 0.483 0.000 2.209 283 E HA -0.158 4.192 4.350 0.000 0.000 0.196 283 E C 1.770 178.510 176.600 0.233 0.000 0.993 283 E CA 1.483 58.148 56.400 0.441 0.000 0.819 283 E CB -0.165 29.735 29.700 0.334 0.000 0.745 283 E HN 0.473 nan 8.360 nan 0.000 0.477 284 A N 0.053 122.979 122.820 0.177 0.000 1.898 284 A HA -0.085 4.235 4.320 0.000 0.000 0.214 284 A C 2.346 180.000 177.584 0.117 0.000 1.183 284 A CA 1.564 53.668 52.037 0.111 0.000 0.622 284 A CB -0.710 18.337 19.000 0.079 0.000 0.824 284 A HN 0.310 nan 8.150 nan 0.000 0.444 285 T N -0.006 114.648 114.554 0.167 0.000 2.720 285 T HA -0.136 4.214 4.350 0.000 0.000 0.268 285 T C 1.871 176.693 174.700 0.202 0.000 1.037 285 T CA 1.673 63.889 62.100 0.193 0.000 1.144 285 T CB -0.445 68.594 68.868 0.285 0.000 0.864 285 T HN 0.149 nan 8.240 nan 0.000 0.444 286 V N 2.501 122.528 119.914 0.188 0.000 2.295 286 V HA -0.172 3.948 4.120 0.000 0.000 0.246 286 V C 2.470 178.509 176.094 -0.092 0.000 1.049 286 V CA 1.484 63.777 62.300 -0.012 0.000 1.024 286 V CB -0.558 31.193 31.823 -0.119 0.000 0.648 286 V HN 0.505 nan 8.190 nan 0.000 0.447 287 N N 0.144 118.824 118.700 -0.033 0.000 2.166 287 N HA -0.155 4.585 4.740 0.000 0.000 0.186 287 N C 2.158 177.674 175.510 0.010 0.000 1.019 287 N CA 1.719 54.744 53.050 -0.041 0.000 0.856 287 N CB -0.217 38.258 38.487 -0.020 0.000 0.993 287 N HN 0.522 nan 8.380 nan 0.000 0.426 288 S N 0.265 115.993 115.700 0.048 0.000 2.399 288 S HA -0.084 4.386 4.470 0.000 0.000 0.231 288 S C 1.849 176.512 174.600 0.105 0.000 1.022 288 S CA 0.504 58.738 58.200 0.057 0.000 0.983 288 S CB -0.308 62.918 63.200 0.043 0.000 0.803 288 S HN 0.157 nan 8.310 nan 0.000 0.480 289 F N 1.710 121.662 119.950 0.003 0.000 2.051 289 F HA 0.057 4.584 4.527 0.000 0.000 0.296 289 F C 2.090 177.894 175.800 0.006 0.000 1.122 289 F CA 1.251 59.252 58.000 0.000 0.000 1.201 289 F CB -0.699 38.242 39.000 -0.097 0.000 0.978 289 F HN 0.209 nan 8.300 nan 0.000 0.472 290 I N -0.199 120.454 120.570 0.137 0.000 2.226 290 I HA -0.311 3.859 4.170 0.000 0.000 0.245 290 I C 2.003 178.146 176.117 0.044 0.000 1.100 290 I CA 1.514 62.823 61.300 0.015 0.000 1.374 290 I CB -0.470 37.440 38.000 -0.150 0.000 1.057 290 I HN 0.058 nan 8.210 nan 0.000 0.413 291 D N 0.684 121.104 120.400 0.034 0.000 2.144 291 D HA -0.127 4.513 4.640 0.000 0.000 0.199 291 D C 2.236 178.546 176.300 0.017 0.000 0.984 291 D CA 1.504 55.511 54.000 0.012 0.000 0.834 291 D CB -0.634 40.164 40.800 -0.003 0.000 0.955 291 D HN 0.400 nan 8.370 nan 0.000 0.465 292 G N 0.729 109.578 108.800 0.082 0.000 2.440 292 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 292 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 292 G C 1.573 176.482 174.900 0.016 0.000 1.154 292 G CA 0.612 45.732 45.100 0.033 0.000 0.767 292 G HN 0.099 nan 8.290 nan 0.000 0.552 293 M N 1.192 120.930 119.600 0.230 0.000 2.059 293 M HA -0.005 4.475 4.480 0.000 0.000 0.259 293 M C 3.099 179.432 176.300 0.057 0.000 1.072 293 M CA 1.565 56.991 55.300 0.209 0.000 1.117 293 M CB -1.388 31.332 32.600 0.200 0.000 1.320 293 M HN 0.316 nan 8.290 nan 0.000 0.408 294 A N -0.201 122.629 122.820 0.016 0.000 1.940 294 A HA -0.197 4.123 4.320 0.000 0.000 0.219 294 A C 2.024 179.581 177.584 -0.044 0.000 1.176 294 A CA 1.897 53.921 52.037 -0.021 0.000 0.631 294 A CB -0.872 18.109 19.000 -0.032 0.000 0.814 294 A HN 0.610 nan 8.150 nan 0.000 0.446 295 E N -0.940 119.217 120.200 -0.072 0.000 2.265 295 E HA -0.130 4.221 4.350 0.000 0.000 0.196 295 E C 1.450 177.972 176.600 -0.131 0.000 0.996 295 E CA 0.770 57.104 56.400 -0.110 0.000 0.832 295 E CB -0.041 29.568 29.700 -0.151 0.000 0.756 295 E HN 0.516 nan 8.360 nan 0.000 0.491 296 R N 0.312 120.735 120.500 -0.129 0.000 2.546 296 R HA 0.150 4.490 4.340 0.000 0.000 0.320 296 R C -0.302 175.985 176.300 -0.022 0.000 1.021 296 R CA -0.109 55.927 56.100 -0.107 0.000 1.088 296 R CB 0.374 30.571 30.300 -0.172 0.000 1.278 296 R HN 0.069 nan 8.270 nan 0.000 0.557 297 N N 1.042 119.731 118.700 -0.018 0.000 2.721 297 N HA -0.197 4.543 4.740 0.000 0.000 0.249 297 N C -0.881 174.649 175.510 0.032 0.000 1.072 297 N CA 0.895 53.946 53.050 0.002 0.000 0.710 297 N CB -1.235 37.252 38.487 -0.000 0.000 0.993 297 N HN 0.311 nan 8.380 nan 0.000 0.547 298 L N 0.839 122.094 121.223 0.053 0.000 2.268 298 L HA 0.358 4.698 4.340 0.000 0.000 0.289 298 L C -1.949 174.942 176.870 0.036 0.000 1.064 298 L CA -1.561 53.331 54.840 0.087 0.000 0.824 298 L CB 0.646 42.801 42.059 0.161 0.000 1.202 298 L HN -0.268 nan 8.230 nan 0.000 0.433 299 P HA 0.137 nan 4.420 nan 0.000 0.271 299 P C -0.884 176.260 177.300 -0.260 0.000 1.216 299 P CA -0.088 62.963 63.100 -0.083 0.000 0.771 299 P CB 0.898 32.632 31.700 0.058 0.000 0.864 300 L N 4.046 124.966 121.223 -0.505 0.000 2.410 300 L HA 0.327 4.667 4.340 0.000 0.000 0.270 300 L C 0.020 176.458 176.870 -0.719 0.000 0.983 300 L CA -0.423 54.126 54.840 -0.484 0.000 0.822 300 L CB 1.869 43.822 42.059 -0.177 0.000 1.285 300 L HN 0.577 nan 8.230 nan 0.000 0.409 301 H N 2.422 121.490 119.070 -0.002 0.000 2.926 301 H HA 0.308 4.864 4.556 0.000 0.000 0.249 301 H C -0.421 174.796 175.328 -0.184 0.000 0.963 301 H CA -0.035 55.984 56.048 -0.048 0.000 1.158 301 H CB 1.217 31.010 29.762 0.050 0.000 1.445 301 H HN 0.228 nan 8.280 nan 0.000 0.452 302 V N 1.409 121.208 119.914 -0.192 0.000 2.577 302 V HA 0.220 4.340 4.120 0.000 0.000 0.303 302 V C -1.460 174.482 176.094 -0.252 0.000 1.042 302 V CA -0.911 61.122 62.300 -0.446 0.000 0.872 302 V CB 2.273 33.335 31.823 -1.268 0.000 0.998 302 V HN 0.145 nan 8.190 nan 0.000 0.423 303 F N 4.102 123.855 119.950 -0.328 0.000 2.436 303 F HA 0.728 5.255 4.527 0.000 0.000 0.340 303 F C -0.322 175.330 175.800 -0.247 0.000 1.113 303 F CA -0.399 57.422 58.000 -0.298 0.000 1.022 303 F CB 1.314 40.101 39.000 -0.356 0.000 1.128 303 F HN 0.716 nan 8.300 nan 0.000 0.466 304 H N 5.358 123.593 119.070 -1.391 0.000 2.505 304 H HA 0.432 4.988 4.556 0.000 0.000 0.338 304 H C -1.693 173.052 175.328 -0.971 0.000 1.057 304 H CA -0.759 54.812 56.048 -0.796 0.000 1.202 304 H CB 0.814 30.346 29.762 -0.384 0.000 1.466 304 H HN 0.509 nan 8.280 nan 0.000 0.499 305 F N 4.089 123.514 119.950 -0.875 0.000 2.421 305 F HA 0.170 4.698 4.527 0.000 0.000 0.358 305 F C 0.802 176.350 175.800 -0.421 0.000 1.115 305 F CA -0.165 57.587 58.000 -0.414 0.000 1.160 305 F CB 0.536 39.468 39.000 -0.113 0.000 1.123 305 F HN 0.633 nan 8.300 nan 0.000 0.508 306 D N 1.285 121.752 120.400 0.112 0.000 2.453 306 D HA 0.125 4.766 4.640 0.000 0.000 0.282 306 D C 1.362 177.826 176.300 0.273 0.000 1.222 306 D CA -0.594 53.590 54.000 0.307 0.000 1.079 306 D CB 0.719 41.761 40.800 0.403 0.000 1.128 306 D HN 0.560 nan 8.370 nan 0.000 0.568 307 C N -0.247 118.858 119.300 -0.325 0.000 2.385 307 C HA -0.214 4.246 4.460 0.000 0.000 0.275 307 C C 2.310 177.073 174.990 -0.378 0.000 1.199 307 C CA 0.521 58.955 59.018 -0.974 0.000 1.782 307 C CB -1.245 25.537 27.740 -1.596 0.000 2.068 307 C HN 0.440 nan 8.230 nan 0.000 0.471 308 F N 1.174 121.243 119.950 0.199 0.000 2.769 308 F HA 0.068 4.595 4.527 0.000 0.000 0.304 308 F C 1.999 178.012 175.800 0.356 0.000 1.158 308 F CA -0.186 57.930 58.000 0.193 0.000 1.398 308 F CB -0.855 38.077 39.000 -0.113 0.000 1.094 308 F HN 0.584 nan 8.300 nan 0.000 0.553 309 W N -0.396 121.200 121.300 0.494 0.000 2.465 309 W HA 0.057 4.717 4.660 0.000 0.000 0.268 309 W C 0.180 176.808 176.519 0.182 0.000 1.242 309 W CA 0.314 57.884 57.345 0.375 0.000 1.248 309 W CB -0.619 28.720 29.460 -0.203 0.000 1.118 309 W HN -0.018 nan 8.180 nan 0.000 0.587 310 M N 1.152 120.515 119.600 -0.394 0.000 2.679 310 M HA 0.308 4.788 4.480 0.000 0.000 0.287 310 M C -0.016 176.190 176.300 -0.157 0.000 1.202 310 M CA -0.671 54.379 55.300 -0.417 0.000 0.911 310 M CB 1.396 33.596 32.600 -0.667 0.000 1.556 310 M HN -0.427 nan 8.290 nan 0.000 0.511 311 K N 0.758 121.011 120.400 -0.246 0.000 2.218 311 K HA 0.467 4.788 4.320 0.000 0.000 0.276 311 K C -0.524 175.678 176.600 -0.664 0.000 1.022 311 K CA -0.350 55.776 56.287 -0.268 0.000 0.946 311 K CB 1.077 33.462 32.500 -0.191 0.000 1.000 311 K HN 0.687 nan 8.250 nan 0.000 0.468 312 A N 2.724 125.191 122.820 -0.588 0.000 2.565 312 A HA 0.094 4.414 4.320 0.000 0.000 0.237 312 A C -0.137 176.680 177.584 -1.279 0.000 1.053 312 A CA 0.209 51.570 52.037 -1.128 0.000 0.755 312 A CB -0.731 17.840 19.000 -0.714 0.000 0.980 312 A HN 0.798 nan 8.150 nan 0.000 0.506 313 F N -0.928 118.011 119.950 -1.685 0.000 2.973 313 F HA -0.262 4.265 4.527 0.000 0.000 0.299 313 F C 1.234 176.621 175.800 -0.690 0.000 0.737 313 F CA 1.627 59.051 58.000 -0.961 0.000 1.151 313 F CB -2.101 36.618 39.000 -0.468 0.000 1.440 313 F HN 0.755 nan 8.300 nan 0.000 0.367 314 Q N -1.467 117.879 119.800 -0.756 0.000 2.194 314 Q HA 0.054 4.394 4.340 0.000 0.000 0.214 314 Q C 0.463 176.344 176.000 -0.197 0.000 0.838 314 Q CA -0.310 55.285 55.803 -0.348 0.000 0.972 314 Q CB 0.451 29.015 28.738 -0.289 0.000 1.131 314 Q HN 0.376 nan 8.270 nan 0.000 0.498 315 W N 0.389 121.675 121.300 -0.022 0.000 2.209 315 W HA -0.056 4.604 4.660 0.000 0.000 0.344 315 W C 0.961 177.597 176.519 0.194 0.000 1.285 315 W CA -0.889 56.491 57.345 0.059 0.000 1.267 315 W CB 0.109 29.654 29.460 0.142 0.000 1.167 315 W HN 0.104 nan 8.180 nan 0.000 0.574 316 C N 3.680 123.236 119.300 0.427 0.000 3.188 316 C HA -0.269 4.191 4.460 0.000 0.000 0.242 316 C C 1.465 176.422 174.990 -0.054 0.000 1.459 316 C CA 1.217 60.248 59.018 0.021 0.000 2.067 316 C CB -2.251 25.435 27.740 -0.089 0.000 1.376 316 C HN 0.606 nan 8.230 nan 0.000 0.495 317 D N -1.553 118.828 120.400 -0.031 0.000 2.369 317 D HA 0.069 4.709 4.640 0.000 0.000 0.211 317 D C 0.931 177.394 176.300 0.271 0.000 1.077 317 D CA -0.200 53.923 54.000 0.205 0.000 0.842 317 D CB -0.324 40.606 40.800 0.215 0.000 0.947 317 D HN 0.486 nan 8.370 nan 0.000 0.509 318 F N -0.163 119.841 119.950 0.091 0.000 2.914 318 F HA -0.208 4.319 4.527 0.000 0.000 0.304 318 F C -0.137 175.757 175.800 0.156 0.000 0.712 318 F CA 0.497 58.569 58.000 0.119 0.000 1.211 318 F CB -1.875 37.200 39.000 0.124 0.000 1.515 318 F HN -0.034 nan 8.300 nan 0.000 0.350 319 E N 0.438 120.741 120.200 0.172 0.000 2.229 319 E HA 0.147 4.497 4.350 0.000 0.000 0.283 319 E C -0.146 176.575 176.600 0.202 0.000 1.030 319 E CA -0.511 56.035 56.400 0.244 0.000 0.836 319 E CB 0.328 30.145 29.700 0.196 0.000 1.068 319 E HN 0.202 nan 8.360 nan 0.000 0.401 320 W N 1.724 123.263 121.300 0.398 0.000 2.223 320 W HA -0.024 4.636 4.660 0.000 0.000 0.334 320 W C 1.057 177.750 176.519 0.290 0.000 1.334 320 W CA 0.091 57.721 57.345 0.474 0.000 1.246 320 W CB 0.343 30.072 29.460 0.447 0.000 1.184 320 W HN 0.307 nan 8.180 nan 0.000 0.563 321 D N 4.845 125.539 120.400 0.491 0.000 2.389 321 D HA -0.021 4.619 4.640 0.000 0.000 0.263 321 D C -1.327 175.147 176.300 0.290 0.000 1.255 321 D CA -1.187 52.987 54.000 0.291 0.000 0.914 321 D CB 1.214 42.143 40.800 0.214 0.000 1.116 321 D HN 0.071 nan 8.370 nan 0.000 0.502 322 P HA -0.011 nan 4.420 nan 0.000 0.224 322 P C 1.662 179.019 177.300 0.094 0.000 1.157 322 P CA 0.476 63.677 63.100 0.167 0.000 0.799 322 P CB 0.251 32.030 31.700 0.131 0.000 0.809 323 L N -1.410 119.843 121.223 0.050 0.000 2.109 323 L HA -0.070 4.270 4.340 0.000 0.000 0.207 323 L C 2.219 179.060 176.870 -0.049 0.000 1.086 323 L CA 1.545 56.385 54.840 0.001 0.000 0.760 323 L CB -1.643 40.406 42.059 -0.017 0.000 0.910 323 L HN -0.011 nan 8.230 nan 0.000 0.437 324 T N -0.847 113.645 114.554 -0.103 0.000 2.901 324 T HA 0.084 4.434 4.350 0.000 0.000 0.252 324 T C 0.153 174.558 174.700 -0.491 0.000 1.035 324 T CA 0.768 62.650 62.100 -0.362 0.000 1.142 324 T CB 0.052 68.609 68.868 -0.518 0.000 0.869 324 T HN -0.011 nan 8.240 nan 0.000 0.442 325 F N 1.268 121.357 119.950 0.231 0.000 2.453 325 F HA 0.398 4.925 4.527 0.000 0.000 0.358 325 F C -2.200 173.665 175.800 0.108 0.000 1.129 325 F CA -2.922 55.196 58.000 0.196 0.000 1.200 325 F CB 1.293 40.482 39.000 0.316 0.000 1.431 325 F HN -0.023 nan 8.300 nan 0.000 0.503 326 P HA -0.091 nan 4.420 nan 0.000 0.226 326 P C 0.088 177.421 177.300 0.055 0.000 1.153 326 P CA 1.234 64.398 63.100 0.107 0.000 0.777 326 P CB 0.348 32.088 31.700 0.067 0.000 0.794 327 D N -1.689 118.726 120.400 0.026 0.000 2.517 327 D HA 0.162 4.802 4.640 0.000 0.000 0.263 327 D C -2.051 174.123 176.300 -0.209 0.000 1.233 327 D CA -2.113 51.844 54.000 -0.070 0.000 0.849 327 D CB 0.445 41.221 40.800 -0.040 0.000 1.261 327 D HN -0.149 nan 8.370 nan 0.000 0.516 328 P HA -0.113 nan 4.420 nan 0.000 0.215 328 P C 1.251 178.140 177.300 -0.685 0.000 1.157 328 P CA 0.910 63.452 63.100 -0.931 0.000 0.863 328 P CB 0.433 31.114 31.700 -1.700 0.000 0.787 329 E N -0.353 119.571 120.200 -0.461 0.000 2.047 329 E HA -0.131 4.219 4.350 0.000 0.000 0.191 329 E C 2.249 178.714 176.600 -0.225 0.000 0.987 329 E CA 1.432 57.648 56.400 -0.307 0.000 0.799 329 E CB -1.084 28.489 29.700 -0.211 0.000 0.752 329 E HN 0.092 nan 8.360 nan 0.000 0.449 330 G N 1.594 110.284 108.800 -0.183 0.000 2.529 330 G HA2 -0.394 3.566 3.960 0.000 0.000 0.219 330 G HA3 -0.394 3.566 3.960 0.000 0.000 0.219 330 G C 1.591 176.416 174.900 -0.126 0.000 1.177 330 G CA 1.315 46.338 45.100 -0.127 0.000 0.773 330 G HN 0.381 nan 8.290 nan 0.000 0.573 331 M N -0.171 119.337 119.600 -0.153 0.000 2.086 331 M HA 0.008 4.488 4.480 0.000 0.000 0.261 331 M C 2.553 178.781 176.300 -0.121 0.000 1.067 331 M CA 1.548 56.779 55.300 -0.115 0.000 1.116 331 M CB -0.223 32.302 32.600 -0.124 0.000 1.348 331 M HN 0.259 nan 8.290 nan 0.000 0.407 332 I N -0.048 120.402 120.570 -0.200 0.000 2.179 332 I HA -0.293 3.877 4.170 0.000 0.000 0.242 332 I C 2.430 178.476 176.117 -0.119 0.000 1.088 332 I CA 1.305 62.519 61.300 -0.144 0.000 1.357 332 I CB -0.305 37.568 38.000 -0.212 0.000 1.051 332 I HN 0.276 nan 8.210 nan 0.000 0.409 333 R N 0.332 120.753 120.500 -0.132 0.000 2.120 333 R HA -0.091 4.249 4.340 0.000 0.000 0.234 333 R C 2.347 178.589 176.300 -0.096 0.000 1.123 333 R CA 1.200 57.232 56.100 -0.113 0.000 0.975 333 R CB -0.262 29.974 30.300 -0.107 0.000 0.866 333 R HN 0.270 nan 8.270 nan 0.000 0.446 334 R N -0.062 120.386 120.500 -0.087 0.000 2.066 334 R HA -0.064 4.276 4.340 0.000 0.000 0.232 334 R C 2.244 178.495 176.300 -0.082 0.000 1.131 334 R CA 1.380 57.435 56.100 -0.075 0.000 0.955 334 R CB -0.515 29.749 30.300 -0.060 0.000 0.851 334 R HN 0.205 nan 8.270 nan 0.000 0.432 335 L N 0.731 121.903 121.223 -0.085 0.000 2.042 335 L HA -0.232 4.108 4.340 0.000 0.000 0.210 335 L C 2.501 179.305 176.870 -0.111 0.000 1.076 335 L CA 1.455 56.233 54.840 -0.103 0.000 0.749 335 L CB -0.358 41.646 42.059 -0.092 0.000 0.893 335 L HN 0.109 nan 8.230 nan 0.000 0.432 336 K N -0.043 120.290 120.400 -0.112 0.000 2.057 336 K HA -0.139 4.181 4.320 0.000 0.000 0.207 336 K C 2.123 178.650 176.600 -0.121 0.000 1.049 336 K CA 1.323 57.530 56.287 -0.133 0.000 0.931 336 K CB -0.206 32.211 32.500 -0.138 0.000 0.714 336 K HN 0.292 nan 8.250 nan 0.000 0.440 337 A N 1.103 123.862 122.820 -0.102 0.000 1.972 337 A HA -0.152 4.168 4.320 0.000 0.000 0.219 337 A C 1.394 178.928 177.584 -0.083 0.000 1.169 337 A CA 1.349 53.334 52.037 -0.087 0.000 0.635 337 A CB -0.302 18.653 19.000 -0.075 0.000 0.810 337 A HN 0.194 nan 8.150 nan 0.000 0.446 338 K N -0.468 119.879 120.400 -0.087 0.000 2.616 338 K HA 0.056 4.376 4.320 0.000 0.000 0.192 338 K C 0.812 177.358 176.600 -0.090 0.000 1.031 338 K CA 0.588 56.824 56.287 -0.085 0.000 1.004 338 K CB -0.646 31.799 32.500 -0.092 0.000 0.810 338 K HN 0.770 nan 8.250 nan 0.000 0.497 339 G N 1.687 110.428 108.800 -0.099 0.000 2.291 339 G HA2 -0.245 3.715 3.960 0.000 0.000 0.271 339 G HA3 -0.245 3.715 3.960 0.000 0.000 0.271 339 G C -0.367 174.463 174.900 -0.116 0.000 1.099 339 G CA -0.221 44.821 45.100 -0.098 0.000 0.919 339 G HN 0.233 nan 8.290 nan 0.000 0.496 340 L N -0.304 120.825 121.223 -0.157 0.000 2.381 340 L HA 0.577 4.917 4.340 0.000 0.000 0.268 340 L C 0.194 176.893 176.870 -0.286 0.000 0.997 340 L CA -1.267 53.462 54.840 -0.186 0.000 0.818 340 L CB 1.736 43.707 42.059 -0.148 0.000 1.310 340 L HN -0.044 nan 8.230 nan 0.000 0.416 341 K N 2.455 122.611 120.400 -0.406 0.000 2.118 341 K HA 0.539 4.859 4.320 0.000 0.000 0.264 341 K C -0.888 175.479 176.600 -0.387 0.000 1.000 341 K CA -0.725 55.211 56.287 -0.585 0.000 0.929 341 K CB 1.929 33.740 32.500 -1.149 0.000 1.021 341 K HN 0.204 nan 8.250 nan 0.000 0.463 342 I N 1.055 121.432 120.570 -0.323 0.000 2.406 342 I HA 0.146 4.316 4.170 0.000 0.000 0.290 342 I C -0.193 175.826 176.117 -0.163 0.000 0.999 342 I CA -1.089 60.128 61.300 -0.139 0.000 1.124 342 I CB 1.263 39.254 38.000 -0.014 0.000 1.289 342 I HN 0.534 nan 8.210 nan 0.000 0.441 343 C N 7.622 126.872 119.300 -0.083 0.000 2.435 343 C HA 0.905 5.365 4.460 0.000 0.000 0.333 343 C C -0.171 174.879 174.990 0.101 0.000 1.202 343 C CA -0.302 58.732 59.018 0.026 0.000 1.830 343 C CB 0.690 28.577 27.740 0.245 0.000 2.326 343 C HN 0.670 nan 8.230 nan 0.000 0.507 344 V N 2.959 122.945 119.914 0.118 0.000 2.876 344 V HA 0.659 4.779 4.120 0.000 0.000 0.312 344 V C -0.835 175.578 176.094 0.532 0.000 1.085 344 V CA -0.905 61.475 62.300 0.134 0.000 0.945 344 V CB 1.404 33.048 31.823 -0.299 0.000 1.017 344 V HN 1.089 nan 8.190 nan 0.000 0.428 345 W N 5.631 127.193 121.300 0.437 0.000 2.216 345 W HA 0.683 5.343 4.660 0.000 0.000 0.326 345 W C -0.192 176.667 176.519 0.568 0.000 1.319 345 W CA 0.009 57.677 57.345 0.539 0.000 1.213 345 W CB 0.735 30.470 29.460 0.459 0.000 1.171 345 W HN 0.856 nan 8.180 nan 0.000 0.557 346 I N 4.195 124.675 120.570 -0.150 0.000 3.174 346 I HA 0.662 4.832 4.170 0.000 0.000 0.313 346 I C -0.783 174.776 176.117 -0.930 0.000 1.155 346 I CA -1.209 59.902 61.300 -0.315 0.000 0.977 346 I CB 2.225 40.280 38.000 0.092 0.000 1.248 346 I HN 0.589 nan 8.210 nan 0.000 0.453 347 N N 1.403 119.759 118.700 -0.574 0.000 3.039 347 N HA 0.543 5.283 4.740 0.000 0.000 0.257 347 N C -2.965 172.465 175.510 -0.133 0.000 1.497 347 N CA -1.707 51.121 53.050 -0.369 0.000 0.861 347 N CB 1.584 39.723 38.487 -0.580 0.000 1.479 347 N HN 0.410 nan 8.380 nan 0.000 0.547 348 P HA 0.324 nan 4.420 nan 0.000 0.262 348 P C -1.176 176.266 177.300 0.237 0.000 1.651 348 P CA 0.173 63.169 63.100 -0.173 0.000 1.119 348 P CB -0.323 31.048 31.700 -0.549 0.000 1.552 349 Y N -0.097 120.387 120.300 0.308 0.000 2.598 349 Y HA 0.626 5.176 4.550 0.000 0.000 0.340 349 Y C 0.333 176.407 175.900 0.290 0.000 1.038 349 Y CA -2.509 55.735 58.100 0.239 0.000 1.100 349 Y CB 1.512 40.129 38.460 0.261 0.000 1.281 349 Y HN -0.220 nan 8.280 nan 0.000 0.488 350 I N 0.553 121.327 120.570 0.340 0.000 2.656 350 I HA 0.689 4.859 4.170 0.000 0.000 0.292 350 I C -0.211 176.115 176.117 0.348 0.000 1.144 350 I CA -0.629 60.852 61.300 0.302 0.000 1.038 350 I CB 1.877 39.945 38.000 0.113 0.000 1.244 350 I HN 0.765 nan 8.210 nan 0.000 0.420 351 G N 4.076 113.042 108.800 0.277 0.000 2.444 351 G HA2 0.155 4.115 3.960 0.000 0.000 0.268 351 G HA3 0.155 4.115 3.960 0.000 0.000 0.268 351 G C 0.195 175.091 174.900 -0.007 0.000 1.203 351 G CA -0.236 44.948 45.100 0.139 0.000 0.835 351 G HN 0.835 nan 8.290 nan 0.000 0.543 352 Q N 0.415 120.000 119.800 -0.359 0.000 2.226 352 Q HA -0.115 4.225 4.340 0.000 0.000 0.204 352 Q C 2.284 178.012 176.000 -0.454 0.000 0.975 352 Q CA 1.233 56.482 55.803 -0.924 0.000 0.866 352 Q CB -0.002 28.224 28.738 -0.853 0.000 0.915 352 Q HN 0.692 nan 8.270 nan 0.000 0.440 353 K N 0.184 120.432 120.400 -0.253 0.000 2.360 353 K HA -0.053 4.267 4.320 0.000 0.000 0.201 353 K C 0.457 177.011 176.600 -0.078 0.000 1.046 353 K CA 0.352 56.545 56.287 -0.157 0.000 0.945 353 K CB 0.039 32.467 32.500 -0.120 0.000 0.750 353 K HN -0.027 nan 8.250 nan 0.000 0.464 354 S N 1.174 116.857 115.700 -0.028 0.000 2.510 354 S HA 0.125 4.595 4.470 0.000 0.000 0.279 354 S C -1.847 172.811 174.600 0.096 0.000 1.284 354 S CA -1.581 56.645 58.200 0.044 0.000 1.059 354 S CB 1.041 64.300 63.200 0.099 0.000 0.901 354 S HN 0.048 nan 8.310 nan 0.000 0.491 355 P HA -0.113 nan 4.420 nan 0.000 0.218 355 P C 1.233 178.619 177.300 0.143 0.000 1.146 355 P CA 0.774 63.934 63.100 0.100 0.000 0.820 355 P CB 0.044 31.801 31.700 0.095 0.000 0.778 356 V N -1.837 118.187 119.914 0.183 0.000 2.951 356 V HA -0.138 3.982 4.120 0.000 0.000 0.255 356 V C 2.035 178.196 176.094 0.112 0.000 1.088 356 V CA 0.820 63.242 62.300 0.204 0.000 1.109 356 V CB -1.177 30.847 31.823 0.334 0.000 0.724 356 V HN 0.003 nan 8.190 nan 0.000 0.471 357 F N 1.740 121.684 119.950 -0.010 0.000 2.065 357 F HA -0.263 4.264 4.527 0.000 0.000 0.298 357 F C 2.441 178.187 175.800 -0.090 0.000 1.112 357 F CA 2.452 60.410 58.000 -0.069 0.000 1.212 357 F CB -0.215 38.752 39.000 -0.054 0.000 0.975 357 F HN 0.003 nan 8.300 nan 0.000 0.476 358 K N 0.278 120.823 120.400 0.241 0.000 2.063 358 K HA -0.272 4.048 4.320 0.000 0.000 0.208 358 K C 2.278 178.844 176.600 -0.057 0.000 1.048 358 K CA 1.798 58.148 56.287 0.105 0.000 0.928 358 K CB -0.399 32.167 32.500 0.110 0.000 0.713 358 K HN 0.531 nan 8.250 nan 0.000 0.442 359 E N 0.648 120.815 120.200 -0.055 0.000 2.038 359 E HA -0.222 4.128 4.350 0.000 0.000 0.195 359 E C 2.044 178.467 176.600 -0.295 0.000 1.000 359 E CA 1.329 57.661 56.400 -0.113 0.000 0.803 359 E CB -0.107 29.586 29.700 -0.011 0.000 0.750 359 E HN 0.319 nan 8.360 nan 0.000 0.448 360 L N 0.675 121.667 121.223 -0.385 0.000 2.046 360 L HA -0.220 4.120 4.340 0.000 0.000 0.208 360 L C 3.003 179.587 176.870 -0.478 0.000 1.077 360 L CA 1.609 56.129 54.840 -0.535 0.000 0.747 360 L CB -0.604 41.109 42.059 -0.577 0.000 0.896 360 L HN 0.313 nan 8.230 nan 0.000 0.432 361 Q N 0.455 119.980 119.800 -0.458 0.000 2.061 361 Q HA -0.257 4.083 4.340 0.000 0.000 0.204 361 Q C 2.049 177.907 176.000 -0.237 0.000 0.984 361 Q CA 1.968 57.561 55.803 -0.351 0.000 0.846 361 Q CB 0.017 28.584 28.738 -0.285 0.000 0.902 361 Q HN 0.548 nan 8.270 nan 0.000 0.421 362 E N 0.007 120.080 120.200 -0.211 0.000 2.150 362 E HA -0.157 4.193 4.350 0.000 0.000 0.193 362 E C 1.745 178.218 176.600 -0.211 0.000 0.985 362 E CA 0.934 57.237 56.400 -0.162 0.000 0.814 362 E CB 0.096 29.726 29.700 -0.117 0.000 0.752 362 E HN 0.279 nan 8.360 nan 0.000 0.466 363 K N -0.424 119.752 120.400 -0.373 0.000 2.426 363 K HA 0.062 4.382 4.320 0.000 0.000 0.193 363 K C 0.859 177.216 176.600 -0.404 0.000 1.028 363 K CA 0.453 56.424 56.287 -0.527 0.000 1.047 363 K CB 0.608 32.434 32.500 -1.124 0.000 0.821 363 K HN 0.201 nan 8.250 nan 0.000 0.513 364 G N 1.189 109.833 108.800 -0.260 0.000 2.182 364 G HA2 -0.239 3.721 3.960 0.000 0.000 0.248 364 G HA3 -0.239 3.721 3.960 0.000 0.000 0.248 364 G C 0.067 175.025 174.900 0.097 0.000 1.042 364 G CA -0.101 44.965 45.100 -0.056 0.000 0.775 364 G HN 0.253 nan 8.290 nan 0.000 0.501 365 Y N -0.678 119.524 120.300 -0.164 0.000 2.457 365 Y HA 0.440 4.990 4.550 0.000 0.000 0.263 365 Y C 1.639 177.433 175.900 -0.177 0.000 1.164 365 Y CA -0.619 57.386 58.100 -0.158 0.000 1.274 365 Y CB 0.133 38.469 38.460 -0.206 0.000 1.097 365 Y HN 0.337 nan 8.280 nan 0.000 0.523 366 L N 0.181 121.349 121.223 -0.092 0.000 2.331 366 L HA 0.338 4.678 4.340 0.000 0.000 0.275 366 L C -0.318 176.463 176.870 -0.149 0.000 1.022 366 L CA -1.395 53.327 54.840 -0.197 0.000 0.812 366 L CB 1.434 43.286 42.059 -0.344 0.000 1.257 366 L HN -0.208 nan 8.230 nan 0.000 0.435 367 L N 2.880 123.981 121.223 -0.203 0.000 2.578 367 L HA 0.039 4.379 4.340 0.000 0.000 0.279 367 L C -0.201 176.550 176.870 -0.197 0.000 1.227 367 L CA 0.817 55.468 54.840 -0.315 0.000 0.900 367 L CB -0.224 41.520 42.059 -0.525 0.000 1.144 367 L HN 0.488 nan 8.230 nan 0.000 0.496 368 K N 5.124 125.407 120.400 -0.195 0.000 2.208 368 K HA 0.524 4.844 4.320 0.000 0.000 0.247 368 K C -0.296 176.254 176.600 -0.084 0.000 0.953 368 K CA -0.884 55.348 56.287 -0.091 0.000 0.837 368 K CB 1.566 34.035 32.500 -0.053 0.000 1.131 368 K HN 0.551 nan 8.250 nan 0.000 0.431 369 R N 1.339 121.837 120.500 -0.004 0.000 2.707 369 R HA 0.059 4.399 4.340 0.000 0.000 0.270 369 R C -1.721 174.574 176.300 -0.009 0.000 1.083 369 R CA -1.589 54.520 56.100 0.016 0.000 1.182 369 R CB -0.084 30.248 30.300 0.053 0.000 1.084 369 R HN 0.357 nan 8.270 nan 0.000 0.528 370 P HA -0.233 nan 4.420 nan 0.000 0.217 370 P C 0.464 177.766 177.300 0.004 0.000 1.151 370 P CA 1.573 64.674 63.100 0.003 0.000 0.849 370 P CB 0.048 31.756 31.700 0.014 0.000 0.787 371 D N -1.947 118.457 120.400 0.007 0.000 2.348 371 D HA -0.012 4.628 4.640 0.000 0.000 0.216 371 D C 1.508 177.808 176.300 0.001 0.000 0.970 371 D CA 1.243 55.245 54.000 0.004 0.000 0.889 371 D CB -0.943 39.859 40.800 0.005 0.000 0.912 371 D HN 0.285 nan 8.370 nan 0.000 0.524 372 G N -0.292 108.507 108.800 -0.002 0.000 2.195 372 G HA2 -0.262 3.698 3.960 0.000 0.000 0.224 372 G HA3 -0.262 3.698 3.960 0.000 0.000 0.224 372 G C 0.447 175.342 174.900 -0.008 0.000 0.990 372 G CA 0.381 45.478 45.100 -0.004 0.000 0.639 372 G HN 0.843 nan 8.290 nan 0.000 0.514 373 S N 0.411 116.107 115.700 -0.007 0.000 2.608 373 S HA 0.687 5.157 4.470 0.000 0.000 0.261 373 S C 0.671 175.264 174.600 -0.011 0.000 1.314 373 S CA -0.638 57.556 58.200 -0.010 0.000 0.992 373 S CB 1.091 64.284 63.200 -0.012 0.000 0.935 373 S HN 0.710 nan 8.310 nan 0.000 0.564 374 L N 0.727 121.943 121.223 -0.011 0.000 2.426 374 L HA 0.240 4.580 4.340 0.000 0.000 0.271 374 L C 0.114 176.992 176.870 0.013 0.000 1.169 374 L CA -0.596 54.241 54.840 -0.005 0.000 0.836 374 L CB 0.209 42.269 42.059 0.001 0.000 1.112 374 L HN 0.822 nan 8.230 nan 0.000 0.465 375 W N 4.325 125.535 121.300 -0.150 0.000 2.304 375 W HA 0.244 4.904 4.660 0.000 0.000 0.313 375 W C -0.260 176.165 176.519 -0.157 0.000 1.323 375 W CA 0.102 57.340 57.345 -0.178 0.000 1.223 375 W CB 0.480 29.778 29.460 -0.270 0.000 1.237 375 W HN 0.459 nan 8.180 nan 0.000 0.535 376 Q N 5.127 124.413 119.800 -0.856 0.000 2.462 376 Q HA 0.400 4.740 4.340 0.000 0.000 0.285 376 Q C -1.091 174.414 176.000 -0.826 0.000 1.035 376 Q CA -0.856 54.578 55.803 -0.615 0.000 0.799 376 Q CB 2.738 31.343 28.738 -0.221 0.000 1.452 376 Q HN 0.581 nan 8.270 nan 0.000 0.404 377 W N 0.132 121.102 121.300 -0.550 0.000 2.826 377 W HA 0.446 5.106 4.660 0.000 0.000 0.410 377 W C -1.115 175.316 176.519 -0.146 0.000 1.128 377 W CA -0.785 56.350 57.345 -0.350 0.000 1.176 377 W CB -0.245 29.008 29.460 -0.345 0.000 1.475 377 W HN 0.506 nan 8.180 nan 0.000 0.588 378 D N 0.305 120.704 120.400 -0.001 0.000 2.369 378 D HA 0.087 4.727 4.640 0.000 0.000 0.211 378 D C -0.151 176.046 176.300 -0.171 0.000 1.077 378 D CA 0.185 54.136 54.000 -0.081 0.000 0.842 378 D CB 0.684 41.433 40.800 -0.084 0.000 0.947 378 D HN 0.143 nan 8.370 nan 0.000 0.509 379 K N 0.648 120.741 120.400 -0.513 0.000 2.298 379 K HA 0.011 4.331 4.320 0.000 0.000 0.280 379 K C 0.632 177.238 176.600 0.010 0.000 1.032 379 K CA -0.338 55.691 56.287 -0.431 0.000 0.958 379 K CB 1.626 33.573 32.500 -0.922 0.000 0.978 379 K HN 0.121 nan 8.250 nan 0.000 0.472 380 W N 0.724 122.029 121.300 0.008 0.000 0.644 380 W HA -0.377 4.283 4.660 0.000 0.000 0.217 380 W C -0.818 175.859 176.519 0.264 0.000 0.935 380 W CA 1.610 59.049 57.345 0.158 0.000 0.519 380 W CB -0.457 29.080 29.460 0.129 0.000 1.885 380 W HN 0.563 nan 8.180 nan 0.000 0.774 381 Q N 0.416 120.312 119.800 0.160 0.000 2.423 381 Q HA 0.424 4.764 4.340 0.000 0.000 0.278 381 Q C -2.342 173.709 176.000 0.086 0.000 1.097 381 Q CA -1.798 54.082 55.803 0.128 0.000 0.809 381 Q CB 1.543 30.422 28.738 0.235 0.000 1.391 381 Q HN -0.130 nan 8.270 nan 0.000 0.428 382 P HA 0.056 nan 4.420 nan 0.000 0.271 382 P C 0.262 177.502 177.300 -0.100 0.000 1.233 382 P CA 0.569 63.597 63.100 -0.119 0.000 0.764 382 P CB 0.140 31.661 31.700 -0.298 0.000 0.825 383 G N 3.425 112.179 108.800 -0.077 0.000 2.393 383 G HA2 -0.281 3.679 3.960 0.000 0.000 0.299 383 G HA3 -0.281 3.679 3.960 0.000 0.000 0.299 383 G C -0.073 174.842 174.900 0.025 0.000 0.990 383 G CA -0.293 44.758 45.100 -0.081 0.000 1.118 383 G HN 0.595 nan 8.290 nan 0.000 0.513 384 L N 0.281 121.609 121.223 0.175 0.000 2.410 384 L HA 0.596 4.936 4.340 0.000 0.000 0.273 384 L C 0.761 177.793 176.870 0.269 0.000 1.152 384 L CA 0.265 55.281 54.840 0.293 0.000 0.855 384 L CB 0.601 42.922 42.059 0.438 0.000 1.129 384 L HN 0.547 nan 8.230 nan 0.000 0.463 385 A N 6.351 129.353 122.820 0.303 0.000 2.309 385 A HA 0.785 5.105 4.320 0.000 0.000 0.317 385 A C -0.735 176.893 177.584 0.074 0.000 1.134 385 A CA -0.739 51.400 52.037 0.170 0.000 0.866 385 A CB 1.081 20.116 19.000 0.058 0.000 1.329 385 A HN 0.683 nan 8.150 nan 0.000 0.477 386 I N 0.420 120.970 120.570 -0.033 0.000 2.465 386 I HA 0.236 4.406 4.170 0.000 0.000 0.291 386 I C -1.230 174.793 176.117 -0.156 0.000 1.014 386 I CA -0.439 60.841 61.300 -0.033 0.000 1.093 386 I CB 1.541 39.443 38.000 -0.164 0.000 1.267 386 I HN 0.630 nan 8.210 nan 0.000 0.431 387 Y N 3.541 123.741 120.300 -0.166 0.000 2.650 387 Y HA -0.057 4.493 4.550 0.000 0.000 0.331 387 Y C 0.895 176.561 175.900 -0.389 0.000 1.165 387 Y CA 0.162 58.029 58.100 -0.387 0.000 1.473 387 Y CB 0.058 38.058 38.460 -0.766 0.000 1.224 387 Y HN 0.436 nan 8.280 nan 0.000 0.533 388 D N 4.556 124.935 120.400 -0.035 0.000 2.416 388 D HA -0.012 4.628 4.640 0.000 0.000 0.240 388 D C 0.141 176.586 176.300 0.242 0.000 1.250 388 D CA 0.297 54.413 54.000 0.194 0.000 0.967 388 D CB -0.300 40.589 40.800 0.149 0.000 1.059 388 D HN 0.567 nan 8.370 nan 0.000 0.512 389 F N 0.995 121.143 119.950 0.331 0.000 2.802 389 F HA -0.068 4.459 4.527 0.000 0.000 0.300 389 F C 2.338 178.177 175.800 0.065 0.000 1.168 389 F CA 0.215 58.245 58.000 0.051 0.000 1.433 389 F CB 0.302 39.184 39.000 -0.197 0.000 1.115 389 F HN 0.321 nan 8.300 nan 0.000 0.582 390 T N -3.316 111.467 114.554 0.383 0.000 3.129 390 T HA -0.025 4.325 4.350 0.000 0.000 0.251 390 T C 0.519 175.377 174.700 0.263 0.000 1.117 390 T CA -0.163 62.123 62.100 0.310 0.000 1.034 390 T CB -0.395 68.702 68.868 0.382 0.000 0.968 390 T HN 0.012 nan 8.240 nan 0.000 0.526 391 N N 1.924 120.653 118.700 0.050 0.000 2.546 391 N HA 0.331 5.071 4.740 0.000 0.000 0.238 391 N C -2.272 173.044 175.510 -0.324 0.000 0.984 391 N CA -2.554 50.202 53.050 -0.490 0.000 0.935 391 N CB 1.988 40.131 38.487 -0.573 0.000 1.122 391 N HN -0.089 nan 8.380 nan 0.000 0.510 392 P HA -0.138 nan 4.420 nan 0.000 0.218 392 P C 0.340 177.546 177.300 -0.157 0.000 1.152 392 P CA 1.308 64.337 63.100 -0.119 0.000 0.857 392 P CB 0.454 32.129 31.700 -0.042 0.000 0.787 393 D N -1.336 118.906 120.400 -0.264 0.000 2.149 393 D HA -0.047 4.593 4.640 0.000 0.000 0.201 393 D C 2.034 177.923 176.300 -0.684 0.000 0.972 393 D CA 1.316 55.128 54.000 -0.313 0.000 0.835 393 D CB -0.822 39.880 40.800 -0.163 0.000 0.966 393 D HN 0.045 nan 8.370 nan 0.000 0.476 394 A N 0.291 122.609 122.820 -0.838 0.000 1.877 394 A HA -0.197 4.123 4.320 0.000 0.000 0.216 394 A C 2.471 180.042 177.584 -0.022 0.000 1.186 394 A CA 1.355 53.022 52.037 -0.616 0.000 0.620 394 A CB -1.021 17.833 19.000 -0.243 0.000 0.822 394 A HN 0.356 nan 8.150 nan 0.000 0.443 395 C N -0.596 118.719 119.300 0.025 0.000 2.413 395 C HA -0.114 4.347 4.460 0.000 0.000 0.276 395 C C 2.725 177.760 174.990 0.074 0.000 1.248 395 C CA 1.476 60.553 59.018 0.098 0.000 1.742 395 C CB -1.066 26.672 27.740 -0.004 0.000 2.017 395 C HN 0.766 nan 8.230 nan 0.000 0.481 396 K N -0.680 119.730 120.400 0.018 0.000 2.025 396 K HA -0.220 4.100 4.320 0.000 0.000 0.207 396 K C 2.039 178.689 176.600 0.083 0.000 1.049 396 K CA 1.688 57.991 56.287 0.027 0.000 0.933 396 K CB -0.427 32.081 32.500 0.014 0.000 0.714 396 K HN 0.639 nan 8.250 nan 0.000 0.438 397 W N 0.562 121.835 121.300 -0.045 0.000 2.321 397 W HA -0.305 4.355 4.660 0.000 0.000 0.306 397 W C 1.930 178.480 176.519 0.053 0.000 1.217 397 W CA 2.085 59.462 57.345 0.053 0.000 1.257 397 W CB -0.352 29.197 29.460 0.149 0.000 1.145 397 W HN 0.233 nan 8.180 nan 0.000 0.509 398 Y N 0.245 120.703 120.300 0.263 0.000 2.243 398 Y HA -0.069 4.481 4.550 0.000 0.000 0.293 398 Y C 2.392 178.145 175.900 -0.245 0.000 1.124 398 Y CA 2.289 60.428 58.100 0.065 0.000 1.159 398 Y CB -0.830 37.753 38.460 0.205 0.000 1.008 398 Y HN -0.033 nan 8.280 nan 0.000 0.527 399 A N 0.122 122.964 122.820 0.037 0.000 1.933 399 A HA -0.204 4.116 4.320 0.000 0.000 0.218 399 A C 1.836 179.284 177.584 -0.226 0.000 1.175 399 A CA 2.048 54.022 52.037 -0.104 0.000 0.628 399 A CB -0.761 18.197 19.000 -0.070 0.000 0.814 399 A HN 0.513 nan 8.150 nan 0.000 0.444 400 D N -0.026 120.227 120.400 -0.245 0.000 2.117 400 D HA -0.117 4.523 4.640 0.000 0.000 0.197 400 D C 1.851 177.900 176.300 -0.417 0.000 0.987 400 D CA 1.066 54.895 54.000 -0.284 0.000 0.829 400 D CB -0.205 40.439 40.800 -0.259 0.000 0.961 400 D HN 0.241 nan 8.370 nan 0.000 0.460 401 K N 0.495 120.486 120.400 -0.682 0.000 2.103 401 K HA -0.064 4.256 4.320 0.000 0.000 0.207 401 K C 2.344 178.496 176.600 -0.747 0.000 1.048 401 K CA 0.391 56.162 56.287 -0.860 0.000 0.930 401 K CB -0.471 31.123 32.500 -1.510 0.000 0.716 401 K HN 0.278 nan 8.250 nan 0.000 0.444 402 L N 0.739 121.523 121.223 -0.731 0.000 2.109 402 L HA -0.147 4.193 4.340 0.000 0.000 0.207 402 L C 2.368 179.162 176.870 -0.127 0.000 1.086 402 L CA 1.164 55.728 54.840 -0.461 0.000 0.760 402 L CB -0.313 41.438 42.059 -0.514 0.000 0.910 402 L HN 0.137 nan 8.230 nan 0.000 0.437 403 K N 0.175 120.477 120.400 -0.162 0.000 2.057 403 K HA -0.126 4.194 4.320 0.000 0.000 0.207 403 K C 2.154 178.709 176.600 -0.074 0.000 1.049 403 K CA 1.328 57.562 56.287 -0.088 0.000 0.931 403 K CB -0.525 31.912 32.500 -0.104 0.000 0.714 403 K HN 0.387 nan 8.250 nan 0.000 0.440 404 G N 1.438 110.170 108.800 -0.114 0.000 2.442 404 G HA2 -0.237 3.723 3.960 0.000 0.000 0.219 404 G HA3 -0.237 3.723 3.960 0.000 0.000 0.219 404 G C 1.470 176.364 174.900 -0.010 0.000 1.141 404 G CA 0.698 45.756 45.100 -0.071 0.000 0.763 404 G HN 0.102 nan 8.290 nan 0.000 0.554 405 L N -0.075 121.162 121.223 0.024 0.000 2.068 405 L HA -0.015 4.325 4.340 0.000 0.000 0.204 405 L C 2.991 179.880 176.870 0.032 0.000 1.076 405 L CA 0.276 55.174 54.840 0.096 0.000 0.753 405 L CB -0.419 41.769 42.059 0.214 0.000 0.910 405 L HN 0.074 nan 8.230 nan 0.000 0.439 406 V N 0.309 120.250 119.914 0.045 0.000 2.332 406 V HA -0.309 3.811 4.120 0.000 0.000 0.248 406 V C 2.713 178.771 176.094 -0.061 0.000 1.055 406 V CA 1.830 64.111 62.300 -0.031 0.000 1.038 406 V CB -0.897 30.921 31.823 -0.008 0.000 0.651 406 V HN 0.493 nan 8.190 nan 0.000 0.450 407 A N -1.121 121.670 122.820 -0.049 0.000 2.070 407 A HA -0.199 4.121 4.320 0.000 0.000 0.220 407 A C 2.180 179.720 177.584 -0.073 0.000 1.159 407 A CA 2.005 54.007 52.037 -0.059 0.000 0.656 407 A CB -0.515 18.454 19.000 -0.052 0.000 0.800 407 A HN 0.537 nan 8.150 nan 0.000 0.453 408 M N -1.807 117.747 119.600 -0.076 0.000 2.541 408 M HA 0.182 4.662 4.480 0.000 0.000 0.252 408 M C 1.198 177.418 176.300 -0.133 0.000 1.125 408 M CA 1.089 56.324 55.300 -0.109 0.000 1.091 408 M CB 0.344 32.882 32.600 -0.104 0.000 1.420 408 M HN 0.590 nan 8.290 nan 0.000 0.486 409 G N 0.120 108.846 108.800 -0.123 0.000 2.192 409 G HA2 -0.161 3.799 3.960 0.000 0.000 0.193 409 G HA3 -0.161 3.799 3.960 0.000 0.000 0.193 409 G C -0.140 174.661 174.900 -0.165 0.000 0.999 409 G CA -0.112 44.902 45.100 -0.143 0.000 0.659 409 G HN 0.265 nan 8.290 nan 0.000 0.503 410 V N 1.921 121.736 119.914 -0.165 0.000 2.572 410 V HA 0.233 4.353 4.120 0.000 0.000 0.291 410 V C 1.111 177.027 176.094 -0.298 0.000 1.039 410 V CA 0.735 62.894 62.300 -0.234 0.000 1.055 410 V CB 1.328 32.997 31.823 -0.257 0.000 0.969 410 V HN 0.351 nan 8.190 nan 0.000 0.482 411 D N 2.482 122.692 120.400 -0.316 0.000 2.277 411 D HA 0.092 4.732 4.640 0.000 0.000 0.209 411 D C 0.550 176.704 176.300 -0.242 0.000 0.970 411 D CA 0.913 54.756 54.000 -0.262 0.000 0.874 411 D CB 0.708 41.316 40.800 -0.320 0.000 0.982 411 D HN 0.735 nan 8.370 nan 0.000 0.504 412 C N -1.315 117.765 119.300 -0.366 0.000 3.336 412 C HA 0.788 5.249 4.460 0.000 0.000 0.339 412 C C -1.454 173.219 174.990 -0.528 0.000 1.468 412 C CA -1.297 57.542 59.018 -0.297 0.000 1.287 412 C CB 0.886 28.721 27.740 0.159 0.000 1.682 412 C HN 0.012 nan 8.230 nan 0.000 0.451 413 F N 0.354 120.404 119.950 0.167 0.000 2.578 413 F HA 0.567 5.094 4.527 0.000 0.000 0.311 413 F C 0.027 175.902 175.800 0.124 0.000 1.094 413 F CA -0.649 57.440 58.000 0.148 0.000 0.923 413 F CB 1.753 40.813 39.000 0.101 0.000 1.230 413 F HN 0.724 nan 8.300 nan 0.000 0.450 414 K N 2.112 122.700 120.400 0.313 0.000 2.273 414 K HA 0.235 4.555 4.320 0.000 0.000 0.287 414 K C -0.392 176.206 176.600 -0.004 0.000 1.089 414 K CA -0.275 56.063 56.287 0.085 0.000 0.909 414 K CB 0.517 33.020 32.500 0.006 0.000 1.123 414 K HN 0.726 nan 8.250 nan 0.000 0.473 415 T N 1.374 115.886 114.554 -0.070 0.000 2.992 415 T HA 0.106 4.456 4.350 0.000 0.000 0.299 415 T C -0.027 174.598 174.700 -0.125 0.000 1.027 415 T CA -0.924 61.081 62.100 -0.158 0.000 1.001 415 T CB 0.362 68.938 68.868 -0.487 0.000 1.005 415 T HN 0.396 nan 8.240 nan 0.000 0.599 416 D N 1.614 121.910 120.400 -0.173 0.000 2.344 416 D HA 0.482 5.122 4.640 0.000 0.000 0.244 416 D C 0.659 177.028 176.300 0.116 0.000 1.134 416 D CA -0.550 53.369 54.000 -0.136 0.000 0.930 416 D CB 0.212 40.917 40.800 -0.159 0.000 1.175 416 D HN 0.492 nan 8.370 nan 0.000 0.437 417 F N -0.240 119.663 119.950 -0.079 0.000 2.183 417 F HA -0.187 4.340 4.527 0.000 0.000 0.318 417 F C 1.729 177.606 175.800 0.129 0.000 0.129 417 F CA 1.202 59.184 58.000 -0.030 0.000 0.912 417 F CB -1.369 37.486 39.000 -0.242 0.000 4.135 417 F HN 0.564 nan 8.300 nan 0.000 0.137 418 G N -1.048 107.971 108.800 0.365 0.000 2.179 418 G HA2 -0.178 3.782 3.960 0.000 0.000 0.220 418 G HA3 -0.178 3.782 3.960 0.000 0.000 0.220 418 G C 0.611 175.707 174.900 0.327 0.000 0.990 418 G CA 0.638 45.979 45.100 0.401 0.000 0.646 418 G HN 1.015 nan 8.290 nan 0.000 0.517 419 E N 0.669 121.056 120.200 0.311 0.000 2.166 419 E HA 0.106 4.456 4.350 0.000 0.000 0.192 419 E C 1.472 178.077 176.600 0.008 0.000 0.967 419 E CA 0.119 56.605 56.400 0.144 0.000 0.840 419 E CB -0.242 29.592 29.700 0.222 0.000 0.795 419 E HN 0.458 nan 8.360 nan 0.000 0.470 420 R N 1.488 122.107 120.500 0.198 0.000 4.138 420 R HA 0.245 4.585 4.340 0.000 0.000 0.206 420 R C -0.404 175.842 176.300 -0.091 0.000 1.667 420 R CA -0.234 55.984 56.100 0.198 0.000 1.481 420 R CB 0.009 30.589 30.300 0.466 0.000 1.388 420 R HN 0.064 nan 8.270 nan 0.000 0.776 421 I N 3.894 124.318 120.570 -0.244 0.000 2.325 421 I HA 0.233 4.404 4.170 0.000 0.000 0.291 421 I C -1.726 174.281 176.117 -0.182 0.000 1.019 421 I CA -3.228 57.858 61.300 -0.356 0.000 1.302 421 I CB 0.873 38.636 38.000 -0.395 0.000 1.401 421 I HN 0.104 nan 8.210 nan 0.000 0.485 422 P HA 0.188 nan 4.420 nan 0.000 0.274 422 P C 0.441 177.634 177.300 -0.178 0.000 1.237 422 P CA -0.099 62.706 63.100 -0.493 0.000 0.793 422 P CB 0.972 31.863 31.700 -1.348 0.000 0.977 423 T N -3.848 110.712 114.554 0.010 0.000 3.023 423 T HA 0.029 4.379 4.350 0.000 0.000 0.253 423 T C 0.437 175.167 174.700 0.051 0.000 1.038 423 T CA -0.104 62.067 62.100 0.119 0.000 0.962 423 T CB -0.525 68.485 68.868 0.236 0.000 1.018 423 T HN 0.374 nan 8.240 nan 0.000 0.521 424 D N 3.039 123.440 120.400 0.002 0.000 2.845 424 D HA 0.342 4.982 4.640 0.000 0.000 0.235 424 D C 0.424 176.714 176.300 -0.017 0.000 1.158 424 D CA -0.435 53.586 54.000 0.035 0.000 0.990 424 D CB 0.070 40.931 40.800 0.101 0.000 1.094 424 D HN 0.502 nan 8.370 nan 0.000 0.486 425 V N -3.054 116.808 119.914 -0.087 0.000 3.202 425 V HA 0.585 4.705 4.120 0.000 0.000 0.306 425 V C -1.235 174.762 176.094 -0.161 0.000 1.283 425 V CA -1.255 60.922 62.300 -0.205 0.000 1.065 425 V CB 2.072 33.582 31.823 -0.521 0.000 1.079 425 V HN 0.181 nan 8.190 nan 0.000 0.448 426 Q N 0.382 120.053 119.800 -0.214 0.000 2.337 426 Q HA 0.414 4.754 4.340 0.000 0.000 0.264 426 Q C -1.831 174.095 176.000 -0.123 0.000 1.007 426 Q CA -0.469 55.284 55.803 -0.082 0.000 0.727 426 Q CB 1.435 30.159 28.738 -0.023 0.000 1.256 426 Q HN 0.791 nan 8.270 nan 0.000 0.467 427 W N 3.160 124.493 121.300 0.056 0.000 2.158 427 W HA 0.089 4.749 4.660 0.000 0.000 0.339 427 W C 1.200 177.803 176.519 0.141 0.000 1.294 427 W CA -0.364 57.045 57.345 0.106 0.000 1.231 427 W CB 0.296 29.826 29.460 0.117 0.000 1.143 427 W HN 0.741 nan 8.180 nan 0.000 0.571 428 F N 2.694 122.807 119.950 0.270 0.000 2.085 428 F HA -0.397 4.130 4.527 0.000 0.000 0.299 428 F C 2.198 178.106 175.800 0.180 0.000 1.096 428 F CA 2.557 60.671 58.000 0.190 0.000 1.227 428 F CB -0.135 38.978 39.000 0.188 0.000 0.983 428 F HN 0.411 nan 8.300 nan 0.000 0.482 429 D N -0.895 119.706 120.400 0.335 0.000 2.340 429 D HA 0.106 4.746 4.640 0.000 0.000 0.220 429 D C 1.610 177.970 176.300 0.099 0.000 1.039 429 D CA 0.774 54.870 54.000 0.161 0.000 0.866 429 D CB -0.686 40.268 40.800 0.256 0.000 0.913 429 D HN 0.471 nan 8.370 nan 0.000 0.523 430 G N 0.163 109.052 108.800 0.148 0.000 2.198 430 G HA2 -0.297 3.663 3.960 0.000 0.000 0.260 430 G HA3 -0.297 3.663 3.960 0.000 0.000 0.260 430 G C 0.313 175.290 174.900 0.129 0.000 1.025 430 G CA 0.361 45.535 45.100 0.123 0.000 0.769 430 G HN 0.424 nan 8.290 nan 0.000 0.507 431 S N -0.098 115.693 115.700 0.151 0.000 2.569 431 S HA 0.259 4.729 4.470 0.000 0.000 0.274 431 S C 0.559 175.220 174.600 0.101 0.000 1.353 431 S CA 0.128 58.355 58.200 0.045 0.000 1.023 431 S CB 0.819 63.951 63.200 -0.114 0.000 0.876 431 S HN 0.477 nan 8.310 nan 0.000 0.540 432 D N 1.829 122.251 120.400 0.037 0.000 2.363 432 D HA 0.148 4.788 4.640 0.000 0.000 0.263 432 D C -1.639 174.740 176.300 0.130 0.000 1.258 432 D CA -1.965 52.086 54.000 0.085 0.000 0.907 432 D CB 0.965 41.793 40.800 0.046 0.000 1.107 432 D HN 0.067 nan 8.370 nan 0.000 0.495 433 P HA -0.161 nan 4.420 nan 0.000 0.217 433 P C 1.228 178.708 177.300 0.300 0.000 1.148 433 P CA 0.974 64.302 63.100 0.379 0.000 0.828 433 P CB 0.303 32.210 31.700 0.346 0.000 0.783 434 Q N -0.048 119.900 119.800 0.246 0.000 2.119 434 Q HA -0.112 4.228 4.340 0.000 0.000 0.201 434 Q C 1.852 178.034 176.000 0.303 0.000 0.972 434 Q CA 1.382 57.372 55.803 0.311 0.000 0.847 434 Q CB -0.456 28.410 28.738 0.213 0.000 0.903 434 Q HN 0.445 nan 8.270 nan 0.000 0.433 435 K N -0.445 120.049 120.400 0.157 0.000 2.228 435 K HA 0.077 4.397 4.320 0.000 0.000 0.202 435 K C 1.931 178.566 176.600 0.058 0.000 1.051 435 K CA 0.386 56.718 56.287 0.076 0.000 0.960 435 K CB 0.081 32.546 32.500 -0.059 0.000 0.743 435 K HN 0.107 nan 8.250 nan 0.000 0.458 436 M N 0.307 119.915 119.600 0.012 0.000 2.419 436 M HA -0.078 4.402 4.480 0.000 0.000 0.264 436 M C 1.942 178.251 176.300 0.015 0.000 1.082 436 M CA 1.395 56.620 55.300 -0.126 0.000 1.119 436 M CB -0.781 31.465 32.600 -0.590 0.000 1.398 436 M HN 0.225 nan 8.290 nan 0.000 0.453 437 H N 1.075 120.138 119.070 -0.012 0.000 2.289 437 H HA -0.156 4.400 4.556 0.000 0.000 0.296 437 H C 1.753 176.986 175.328 -0.158 0.000 1.091 437 H CA 2.499 58.435 56.048 -0.187 0.000 1.274 437 H CB 0.196 29.568 29.762 -0.651 0.000 1.364 437 H HN 0.290 nan 8.280 nan 0.000 0.490 438 N N -0.903 117.794 118.700 -0.006 0.000 2.207 438 N HA -0.118 4.622 4.740 0.000 0.000 0.182 438 N C 1.822 177.451 175.510 0.199 0.000 1.020 438 N CA 1.259 54.360 53.050 0.085 0.000 0.858 438 N CB -0.540 38.099 38.487 0.254 0.000 0.991 438 N HN 0.500 nan 8.380 nan 0.000 0.427 439 H N -0.417 118.724 119.070 0.118 0.000 2.495 439 H HA -0.032 4.524 4.556 0.000 0.000 0.287 439 H C 1.742 177.175 175.328 0.175 0.000 1.033 439 H CA 0.950 57.090 56.048 0.154 0.000 1.307 439 H CB -0.267 29.525 29.762 0.050 0.000 1.401 439 H HN 0.251 nan 8.280 nan 0.000 0.555 440 Y N 0.383 120.673 120.300 -0.017 0.000 2.139 440 Y HA -0.340 4.210 4.550 0.000 0.000 0.282 440 Y C 2.542 178.493 175.900 0.086 0.000 1.179 440 Y CA 1.906 59.997 58.100 -0.015 0.000 1.161 440 Y CB -0.626 37.830 38.460 -0.007 0.000 0.970 440 Y HN 0.328 nan 8.280 nan 0.000 0.511 441 A N -0.592 122.397 122.820 0.282 0.000 1.908 441 A HA -0.289 4.031 4.320 0.000 0.000 0.218 441 A C 2.104 179.753 177.584 0.109 0.000 1.181 441 A CA 1.885 54.081 52.037 0.266 0.000 0.627 441 A CB -1.541 17.604 19.000 0.241 0.000 0.818 441 A HN 0.751 nan 8.150 nan 0.000 0.445 442 Y N 0.363 120.618 120.300 -0.074 0.000 2.163 442 Y HA -0.168 4.382 4.550 0.000 0.000 0.288 442 Y C 2.099 177.852 175.900 -0.245 0.000 1.136 442 Y CA 1.692 59.723 58.100 -0.115 0.000 1.147 442 Y CB -0.094 38.211 38.460 -0.258 0.000 0.987 442 Y HN 0.226 nan 8.280 nan 0.000 0.509 443 I N -0.097 120.296 120.570 -0.294 0.000 2.202 443 I HA -0.334 3.836 4.170 0.000 0.000 0.242 443 I C 2.398 178.191 176.117 -0.540 0.000 1.091 443 I CA 1.759 62.832 61.300 -0.378 0.000 1.368 443 I CB -1.600 36.232 38.000 -0.280 0.000 1.058 443 I HN 0.427 nan 8.210 nan 0.000 0.410 444 Y N 2.418 122.305 120.300 -0.688 0.000 2.030 444 Y HA -0.344 4.206 4.550 0.000 0.000 0.274 444 Y C 2.586 178.122 175.900 -0.606 0.000 1.153 444 Y CA 1.820 59.475 58.100 -0.741 0.000 1.115 444 Y CB -0.157 38.074 38.460 -0.382 0.000 0.969 444 Y HN 0.232 nan 8.280 nan 0.000 0.488 445 N N 0.493 118.825 118.700 -0.613 0.000 2.289 445 N HA -0.210 4.531 4.740 0.000 0.000 0.184 445 N C 1.759 176.670 175.510 -0.998 0.000 1.016 445 N CA 1.441 54.056 53.050 -0.725 0.000 0.872 445 N CB -0.324 37.890 38.487 -0.455 0.000 0.973 445 N HN 0.621 nan 8.380 nan 0.000 0.433 446 E N 1.412 120.878 120.200 -1.223 0.000 2.072 446 E HA -0.128 4.222 4.350 0.000 0.000 0.191 446 E C 2.202 178.365 176.600 -0.728 0.000 0.985 446 E CA 0.437 55.967 56.400 -1.450 0.000 0.801 446 E CB -0.013 29.058 29.700 -1.047 0.000 0.750 446 E HN 0.259 nan 8.360 nan 0.000 0.452 447 L N 0.543 121.408 121.223 -0.596 0.000 2.017 447 L HA -0.168 4.172 4.340 0.000 0.000 0.208 447 L C 2.327 179.008 176.870 -0.315 0.000 1.073 447 L CA 1.158 55.735 54.840 -0.438 0.000 0.745 447 L CB -0.181 41.518 42.059 -0.599 0.000 0.894 447 L HN 0.065 nan 8.230 nan 0.000 0.432 448 V N -0.597 119.121 119.914 -0.325 0.000 2.261 448 V HA -0.338 3.782 4.120 0.000 0.000 0.246 448 V C 2.196 178.245 176.094 -0.074 0.000 1.047 448 V CA 2.335 64.527 62.300 -0.181 0.000 1.015 448 V CB -1.071 30.642 31.823 -0.183 0.000 0.642 448 V HN 0.718 nan 8.190 nan 0.000 0.446 449 W N 1.297 122.384 121.300 -0.354 0.000 2.290 449 W HA -0.305 4.355 4.660 0.000 0.000 0.323 449 W C 2.399 178.831 176.519 -0.147 0.000 1.260 449 W CA 2.363 59.557 57.345 -0.252 0.000 1.266 449 W CB -0.390 28.789 29.460 -0.468 0.000 1.149 449 W HN 0.347 nan 8.180 nan 0.000 0.482 450 N N 0.187 118.853 118.700 -0.058 0.000 2.309 450 N HA -0.146 4.594 4.740 0.000 0.000 0.182 450 N C 1.636 177.076 175.510 -0.118 0.000 1.018 450 N CA 1.480 54.483 53.050 -0.078 0.000 0.876 450 N CB -0.816 37.640 38.487 -0.052 0.000 0.972 450 N HN 0.054 nan 8.380 nan 0.000 0.434 451 V N 0.933 120.779 119.914 -0.113 0.000 2.343 451 V HA -0.173 3.947 4.120 0.000 0.000 0.247 451 V C 2.205 178.249 176.094 -0.084 0.000 1.051 451 V CA 1.085 63.335 62.300 -0.084 0.000 1.036 451 V CB -0.302 31.483 31.823 -0.064 0.000 0.654 451 V HN 0.172 nan 8.190 nan 0.000 0.451 452 L N -0.349 120.795 121.223 -0.132 0.000 2.044 452 L HA -0.097 4.243 4.340 0.000 0.000 0.205 452 L C 2.338 179.053 176.870 -0.259 0.000 1.075 452 L CA 1.786 56.511 54.840 -0.192 0.000 0.747 452 L CB -1.061 40.817 42.059 -0.301 0.000 0.903 452 L HN 0.244 nan 8.230 nan 0.000 0.435 453 K N -0.437 119.746 120.400 -0.361 0.000 2.044 453 K HA -0.226 4.094 4.320 0.000 0.000 0.210 453 K C 1.594 178.115 176.600 -0.132 0.000 1.049 453 K CA 1.880 58.013 56.287 -0.258 0.000 0.927 453 K CB -0.098 32.283 32.500 -0.199 0.000 0.713 453 K HN 0.266 nan 8.250 nan 0.000 0.443 454 D N -0.963 119.373 120.400 -0.107 0.000 2.310 454 D HA -0.085 4.555 4.640 0.000 0.000 0.212 454 D C 1.621 177.883 176.300 -0.063 0.000 0.965 454 D CA 1.392 55.351 54.000 -0.069 0.000 0.879 454 D CB 0.171 40.935 40.800 -0.060 0.000 0.921 454 D HN 0.466 nan 8.370 nan 0.000 0.510 455 T N -2.638 111.871 114.554 -0.074 0.000 3.397 455 T HA -0.001 4.349 4.350 0.000 0.000 0.233 455 T C 1.988 176.651 174.700 -0.062 0.000 0.969 455 T CA 0.633 62.697 62.100 -0.061 0.000 1.316 455 T CB -0.721 68.116 68.868 -0.052 0.000 1.175 455 T HN -0.038 nan 8.240 nan 0.000 0.381 456 V N 0.237 120.108 119.914 -0.071 0.000 3.217 456 V HA 0.518 4.638 4.120 0.000 0.000 0.264 456 V C 1.297 177.359 176.094 -0.052 0.000 1.135 456 V CA 0.258 62.523 62.300 -0.058 0.000 1.142 456 V CB -1.691 30.102 31.823 -0.049 0.000 0.754 456 V HN 1.289 nan 8.190 nan 0.000 0.484 457 G N 0.251 109.004 108.800 -0.079 0.000 2.705 457 G HA2 -0.219 3.741 3.960 0.000 0.000 0.686 457 G HA3 -0.219 3.741 3.960 0.000 0.000 0.686 457 G C 0.143 174.982 174.900 -0.103 0.000 1.285 457 G CA 0.239 45.296 45.100 -0.072 0.000 0.800 457 G HN 0.549 nan 8.290 nan 0.000 0.611 458 E N 0.269 120.420 120.200 -0.080 0.000 2.058 458 E HA -0.219 4.131 4.350 0.000 0.000 0.194 458 E C 2.217 178.795 176.600 -0.036 0.000 0.997 458 E CA 2.247 58.599 56.400 -0.080 0.000 0.801 458 E CB -0.034 29.681 29.700 0.025 0.000 0.746 458 E HN 0.665 nan 8.360 nan 0.000 0.450 459 E N 0.579 120.789 120.200 0.017 0.000 2.265 459 E HA -0.154 4.196 4.350 0.000 0.000 0.196 459 E C 1.449 178.079 176.600 0.051 0.000 0.996 459 E CA 0.919 57.354 56.400 0.058 0.000 0.832 459 E CB -0.055 29.690 29.700 0.075 0.000 0.756 459 E HN 0.278 nan 8.360 nan 0.000 0.491 460 E N 0.259 120.473 120.200 0.023 0.000 2.472 460 E HA 0.224 4.574 4.350 0.000 0.000 0.196 460 E C 0.165 176.760 176.600 -0.008 0.000 1.033 460 E CA 0.304 56.755 56.400 0.085 0.000 0.886 460 E CB 0.288 30.062 29.700 0.123 0.000 0.944 460 E HN 0.247 nan 8.360 nan 0.000 0.492 461 A N 1.401 124.104 122.820 -0.196 0.000 2.488 461 A HA 0.336 4.656 4.320 0.000 0.000 0.249 461 A C 0.047 177.502 177.584 -0.215 0.000 1.083 461 A CA 0.053 51.809 52.037 -0.469 0.000 0.768 461 A CB 0.591 18.788 19.000 -1.339 0.000 1.017 461 A HN 0.026 nan 8.150 nan 0.000 0.496 462 V N 3.741 123.624 119.914 -0.052 0.000 3.147 462 V HA 0.636 4.756 4.120 0.000 0.000 0.299 462 V C -1.202 175.051 176.094 0.265 0.000 1.302 462 V CA -0.599 61.805 62.300 0.172 0.000 1.015 462 V CB 2.007 33.821 31.823 -0.015 0.000 1.086 462 V HN 0.902 nan 8.190 nan 0.000 0.437 463 L N 3.568 124.952 121.223 0.268 0.000 2.283 463 L HA 0.669 5.009 4.340 0.000 0.000 0.259 463 L C -1.582 175.393 176.870 0.176 0.000 1.027 463 L CA -0.676 54.294 54.840 0.216 0.000 0.828 463 L CB 2.372 44.517 42.059 0.144 0.000 1.380 463 L HN 0.547 nan 8.230 nan 0.000 0.425 464 F N 1.225 121.058 119.950 -0.195 0.000 2.366 464 F HA 0.586 5.113 4.527 0.000 0.000 0.366 464 F C 0.292 175.922 175.800 -0.283 0.000 1.096 464 F CA -0.853 56.928 58.000 -0.365 0.000 1.060 464 F CB 1.422 40.068 39.000 -0.591 0.000 1.282 464 F HN 0.335 nan 8.300 nan 0.000 0.450 465 A N 4.647 127.328 122.820 -0.231 0.000 2.292 465 A HA 0.540 4.860 4.320 0.000 0.000 0.319 465 A C 1.180 178.736 177.584 -0.047 0.000 1.206 465 A CA -0.561 51.351 52.037 -0.207 0.000 0.835 465 A CB 0.832 19.604 19.000 -0.380 0.000 1.164 465 A HN 0.870 nan 8.150 nan 0.000 0.505 466 R N 1.256 121.747 120.500 -0.016 0.000 2.140 466 R HA 0.038 4.378 4.340 0.000 0.000 0.213 466 R C 0.721 176.999 176.300 -0.036 0.000 1.059 466 R CA 1.345 57.419 56.100 -0.042 0.000 1.000 466 R CB 0.066 30.255 30.300 -0.185 0.000 0.910 466 R HN 0.823 nan 8.270 nan 0.000 0.455 467 S N -1.021 114.721 115.700 0.070 0.000 2.689 467 S HA 0.860 5.330 4.470 0.000 0.000 0.306 467 S C -0.695 174.026 174.600 0.201 0.000 1.104 467 S CA -0.475 57.821 58.200 0.161 0.000 0.973 467 S CB 2.396 65.722 63.200 0.211 0.000 1.121 467 S HN 0.242 nan 8.310 nan 0.000 0.523 468 A N 0.207 123.137 122.820 0.182 0.000 2.601 468 A HA 0.874 5.194 4.320 0.000 0.000 0.291 468 A C -0.566 177.140 177.584 0.204 0.000 1.075 468 A CA -0.432 51.730 52.037 0.210 0.000 0.671 468 A CB 1.032 20.073 19.000 0.069 0.000 1.277 468 A HN 1.511 nan 8.150 nan 0.000 0.417 469 S N -0.895 114.967 115.700 0.270 0.000 2.656 469 S HA 0.594 5.064 4.470 0.000 0.000 0.273 469 S C -0.907 173.805 174.600 0.186 0.000 1.168 469 S CA -0.206 58.148 58.200 0.256 0.000 0.817 469 S CB 1.303 64.691 63.200 0.313 0.000 1.146 469 S HN 1.616 nan 8.310 nan 0.000 0.475 470 V N 2.885 122.782 119.914 -0.027 0.000 2.583 470 V HA 0.363 4.483 4.120 0.000 0.000 0.302 470 V C 1.773 177.698 176.094 -0.282 0.000 1.033 470 V CA 2.163 64.265 62.300 -0.329 0.000 1.194 470 V CB -0.166 30.995 31.823 -1.104 0.000 0.879 470 V HN 1.547 nan 8.190 nan 0.000 0.482 471 G N 4.331 112.951 108.800 -0.300 0.000 2.259 471 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 471 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 471 G C 0.923 175.726 174.900 -0.161 0.000 1.001 471 G CA 0.224 45.169 45.100 -0.259 0.000 0.627 471 G HN 1.353 nan 8.290 nan 0.000 0.501 472 A N 1.075 123.899 122.820 0.007 0.000 2.167 472 A HA 0.224 4.544 4.320 0.000 0.000 0.214 472 A C 2.163 179.587 177.584 -0.267 0.000 1.151 472 A CA 1.986 54.033 52.037 0.017 0.000 0.735 472 A CB -0.352 18.879 19.000 0.385 0.000 0.802 472 A HN 0.938 nan 8.150 nan 0.000 0.467 473 Q N 0.904 120.244 119.800 -0.768 0.000 2.443 473 Q HA -0.184 4.156 4.340 0.000 0.000 0.213 473 Q C 0.986 176.607 176.000 -0.632 0.000 0.982 473 Q CA 1.734 56.951 55.803 -0.976 0.000 0.894 473 Q CB -0.520 27.250 28.738 -1.613 0.000 0.947 473 Q HN 0.657 nan 8.270 nan 0.000 0.480 474 K N 0.120 119.971 120.400 -0.915 0.000 2.365 474 K HA 0.006 4.327 4.320 0.000 0.000 0.199 474 K C -0.249 175.512 176.600 -1.399 0.000 1.045 474 K CA 0.529 56.142 56.287 -1.123 0.000 0.962 474 K CB 0.107 31.815 32.500 -1.320 0.000 0.759 474 K HN 0.176 nan 8.250 nan 0.000 0.469 475 F N 1.523 121.022 119.950 -0.752 0.000 2.438 475 F HA 0.297 4.824 4.527 0.000 0.000 0.315 475 F C -2.267 173.236 175.800 -0.495 0.000 1.258 475 F CA -3.618 53.705 58.000 -1.130 0.000 1.180 475 F CB -0.196 38.337 39.000 -0.778 0.000 1.412 475 F HN -0.184 nan 8.300 nan 0.000 0.544 476 P HA -0.010 nan 4.420 nan 0.000 0.273 476 P C 0.402 177.619 177.300 -0.137 0.000 1.258 476 P CA 0.213 63.288 63.100 -0.041 0.000 0.802 476 P CB 1.124 32.828 31.700 0.006 0.000 1.040 477 V N -1.156 118.612 119.914 -0.243 0.000 4.511 477 V HA -0.227 3.893 4.120 0.000 0.000 0.437 477 V C -1.248 174.551 176.094 -0.491 0.000 0.684 477 V CA 0.705 62.758 62.300 -0.412 0.000 1.739 477 V CB -2.420 28.947 31.823 -0.760 0.000 2.089 477 V HN 0.603 nan 8.190 nan 0.000 0.487 478 H N 5.568 124.561 119.070 -0.128 0.000 2.489 478 H HA 0.623 5.179 4.556 0.000 0.000 0.322 478 H C -0.204 174.989 175.328 -0.226 0.000 1.091 478 H CA 0.703 56.700 56.048 -0.085 0.000 1.291 478 H CB 1.169 30.947 29.762 0.026 0.000 1.436 478 H HN 0.938 nan 8.280 nan 0.000 0.480 479 W N 3.733 124.770 121.300 -0.439 0.000 2.433 479 W HA 0.402 5.062 4.660 0.000 0.000 0.315 479 W C 0.963 177.301 176.519 -0.301 0.000 1.087 479 W CA -0.876 56.099 57.345 -0.616 0.000 1.205 479 W CB 1.141 30.213 29.460 -0.647 0.000 1.288 479 W HN 0.732 nan 8.180 nan 0.000 0.504 480 G N 3.197 111.433 108.800 -0.941 0.000 2.498 480 G HA2 0.287 4.247 3.960 0.000 0.000 0.219 480 G HA3 0.287 4.247 3.960 0.000 0.000 0.219 480 G C 0.695 175.221 174.900 -0.623 0.000 1.119 480 G CA 0.799 45.664 45.100 -0.392 0.000 0.766 480 G HN 1.454 nan 8.290 nan 0.000 0.552 481 G N -0.329 107.415 108.800 -1.760 0.000 2.549 481 G HA2 -0.091 3.869 3.960 0.000 0.000 0.404 481 G HA3 -0.091 3.869 3.960 0.000 0.000 0.404 481 G C -1.224 173.143 174.900 -0.888 0.000 1.292 481 G CA -0.308 43.919 45.100 -1.455 0.000 0.935 481 G HN 0.155 nan 8.290 nan 0.000 0.512 482 D N 1.063 121.162 120.400 -0.502 0.000 2.348 482 D HA 0.440 5.080 4.640 0.000 0.000 0.259 482 D C 1.051 177.280 176.300 -0.118 0.000 1.296 482 D CA 0.755 54.543 54.000 -0.354 0.000 0.931 482 D CB -0.308 40.211 40.800 -0.469 0.000 1.067 482 D HN 0.937 nan 8.370 nan 0.000 0.503 483 C N 1.738 121.045 119.300 0.012 0.000 2.562 483 C HA 0.682 5.142 4.460 0.000 0.000 0.332 483 C C -0.107 174.940 174.990 0.095 0.000 1.201 483 C CA -1.177 57.915 59.018 0.123 0.000 1.803 483 C CB 0.009 27.929 27.740 0.299 0.000 2.328 483 C HN 0.441 nan 8.230 nan 0.000 0.500 484 Y N 0.180 120.620 120.300 0.233 0.000 2.403 484 Y HA 0.521 5.071 4.550 0.000 0.000 0.323 484 Y C 0.962 177.028 175.900 0.278 0.000 1.226 484 Y CA -0.230 57.998 58.100 0.215 0.000 1.235 484 Y CB 1.269 39.836 38.460 0.178 0.000 1.248 484 Y HN 0.932 nan 8.280 nan 0.000 0.489 485 A N 2.973 126.010 122.820 0.361 0.000 3.091 485 A HA 0.328 4.648 4.320 0.000 0.000 0.264 485 A C -0.707 177.052 177.584 0.292 0.000 1.673 485 A CA -0.201 52.001 52.037 0.275 0.000 1.362 485 A CB -1.707 17.379 19.000 0.143 0.000 1.137 485 A HN 0.802 nan 8.150 nan 0.000 0.617 486 N N -2.616 116.326 118.700 0.403 0.000 2.825 486 N HA 0.401 5.141 4.740 0.000 0.000 0.253 486 N C -0.115 175.542 175.510 0.245 0.000 1.426 486 N CA -0.774 52.393 53.050 0.194 0.000 0.851 486 N CB 0.345 38.944 38.487 0.187 0.000 1.470 486 N HN -0.094 nan 8.380 nan 0.000 0.517 487 Y N -0.121 120.359 120.300 0.299 0.000 2.200 487 Y HA -0.003 4.547 4.550 0.000 0.000 0.290 487 Y C 1.724 177.753 175.900 0.215 0.000 1.137 487 Y CA 1.310 59.583 58.100 0.287 0.000 1.163 487 Y CB -0.468 38.183 38.460 0.319 0.000 0.988 487 Y HN 0.665 nan 8.280 nan 0.000 0.518 488 E N -0.536 119.845 120.200 0.302 0.000 2.085 488 E HA -0.199 4.151 4.350 0.000 0.000 0.194 488 E C 2.487 179.177 176.600 0.151 0.000 0.994 488 E CA 1.627 58.123 56.400 0.159 0.000 0.801 488 E CB -0.540 29.233 29.700 0.121 0.000 0.743 488 E HN 0.197 nan 8.360 nan 0.000 0.453 489 S N -0.571 115.259 115.700 0.217 0.000 2.402 489 S HA -0.087 4.383 4.470 0.000 0.000 0.229 489 S C 1.868 176.605 174.600 0.228 0.000 1.021 489 S CA 1.072 59.428 58.200 0.260 0.000 0.974 489 S CB -0.156 63.291 63.200 0.412 0.000 0.800 489 S HN 0.281 nan 8.310 nan 0.000 0.484 490 M N 0.828 120.466 119.600 0.064 0.000 2.175 490 M HA -0.034 4.447 4.480 0.000 0.000 0.264 490 M C 2.081 178.456 176.300 0.125 0.000 1.063 490 M CA 1.568 56.675 55.300 -0.322 0.000 1.119 490 M CB -0.400 31.844 32.600 -0.594 0.000 1.377 490 M HN 0.441 nan 8.290 nan 0.000 0.415 491 A N 0.358 123.274 122.820 0.160 0.000 1.902 491 A HA -0.203 4.117 4.320 0.000 0.000 0.217 491 A C 1.795 179.375 177.584 -0.006 0.000 1.181 491 A CA 2.011 53.989 52.037 -0.100 0.000 0.623 491 A CB -0.817 17.930 19.000 -0.420 0.000 0.818 491 A HN 0.674 nan 8.150 nan 0.000 0.443 492 E N -0.453 119.791 120.200 0.074 0.000 2.110 492 E HA -0.150 4.200 4.350 0.000 0.000 0.193 492 E C 2.239 178.999 176.600 0.268 0.000 0.988 492 E CA 1.251 57.739 56.400 0.148 0.000 0.804 492 E CB -0.189 29.599 29.700 0.146 0.000 0.745 492 E HN 0.611 nan 8.360 nan 0.000 0.458 493 S N 0.664 116.528 115.700 0.274 0.000 2.383 493 S HA -0.125 4.345 4.470 0.000 0.000 0.227 493 S C 1.983 176.773 174.600 0.316 0.000 1.026 493 S CA 0.686 59.133 58.200 0.411 0.000 0.981 493 S CB -0.093 63.393 63.200 0.477 0.000 0.818 493 S HN 0.219 nan 8.310 nan 0.000 0.472 494 L N 2.204 123.558 121.223 0.219 0.000 2.046 494 L HA 0.064 4.404 4.340 0.000 0.000 0.208 494 L C 2.436 179.197 176.870 -0.182 0.000 1.077 494 L CA 1.713 56.563 54.840 0.016 0.000 0.747 494 L CB -0.759 41.234 42.059 -0.110 0.000 0.896 494 L HN 0.231 nan 8.230 nan 0.000 0.432 495 R N -0.366 120.081 120.500 -0.087 0.000 2.091 495 R HA -0.124 4.216 4.340 0.000 0.000 0.238 495 R C 2.191 178.352 176.300 -0.233 0.000 1.136 495 R CA 1.311 57.337 56.100 -0.122 0.000 0.959 495 R CB -1.115 29.156 30.300 -0.048 0.000 0.856 495 R HN 0.593 nan 8.270 nan 0.000 0.437 496 G N 0.198 108.882 108.800 -0.193 0.000 2.408 496 G HA2 -0.182 3.779 3.960 0.000 0.000 0.217 496 G HA3 -0.182 3.779 3.960 0.000 0.000 0.217 496 G C 1.493 175.964 174.900 -0.716 0.000 1.150 496 G CA 0.740 45.584 45.100 -0.427 0.000 0.776 496 G HN 0.454 nan 8.290 nan 0.000 0.542 497 G N 0.800 108.881 108.800 -1.199 0.000 2.408 497 G HA2 -0.084 3.876 3.960 0.000 0.000 0.217 497 G HA3 -0.084 3.876 3.960 0.000 0.000 0.217 497 G C 1.780 176.093 174.900 -0.979 0.000 1.150 497 G CA 0.555 44.388 45.100 -2.113 0.000 0.776 497 G HN 0.416 nan 8.290 nan 0.000 0.542 498 L N 0.583 121.430 121.223 -0.627 0.000 2.046 498 L HA -0.071 4.269 4.340 0.000 0.000 0.208 498 L C 3.154 179.843 176.870 -0.302 0.000 1.077 498 L CA 1.156 55.780 54.840 -0.360 0.000 0.747 498 L CB -0.408 41.516 42.059 -0.225 0.000 0.896 498 L HN 0.167 nan 8.230 nan 0.000 0.432 499 S N -0.144 115.357 115.700 -0.330 0.000 2.368 499 S HA -0.146 4.324 4.470 0.000 0.000 0.224 499 S C 1.973 176.419 174.600 -0.256 0.000 1.029 499 S CA 1.104 59.148 58.200 -0.260 0.000 0.988 499 S CB -0.210 62.808 63.200 -0.303 0.000 0.838 499 S HN 0.309 nan 8.310 nan 0.000 0.462 500 I N 1.183 121.536 120.570 -0.360 0.000 2.361 500 I HA -0.153 4.017 4.170 0.000 0.000 0.251 500 I C 2.236 178.288 176.117 -0.108 0.000 1.133 500 I CA 1.138 62.257 61.300 -0.303 0.000 1.413 500 I CB -0.484 37.260 38.000 -0.426 0.000 1.073 500 I HN 0.387 nan 8.210 nan 0.000 0.424 501 G N 0.576 109.281 108.800 -0.158 0.000 2.408 501 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 501 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 501 G C 1.515 176.370 174.900 -0.075 0.000 1.150 501 G CA 0.306 45.348 45.100 -0.097 0.000 0.776 501 G HN 0.390 nan 8.290 nan 0.000 0.542 502 L N 0.991 122.163 121.223 -0.085 0.000 2.610 502 L HA 0.130 4.470 4.340 0.000 0.000 0.232 502 L C 1.732 178.638 176.870 0.060 0.000 1.149 502 L CA 0.284 55.099 54.840 -0.041 0.000 0.872 502 L CB 0.388 42.410 42.059 -0.062 0.000 0.992 502 L HN 0.079 nan 8.230 nan 0.000 0.447 503 S N -0.698 115.032 115.700 0.050 0.000 2.650 503 S HA 0.358 4.828 4.470 0.000 0.000 0.240 503 S C 1.212 175.823 174.600 0.018 0.000 1.007 503 S CA 0.441 58.702 58.200 0.100 0.000 0.984 503 S CB 1.031 64.287 63.200 0.093 0.000 0.910 503 S HN 0.528 nan 8.310 nan 0.000 0.509 504 G N 1.213 109.995 108.800 -0.031 0.000 2.163 504 G HA2 -0.211 3.749 3.960 0.000 0.000 0.213 504 G HA3 -0.211 3.749 3.960 0.000 0.000 0.213 504 G C -0.154 174.582 174.900 -0.273 0.000 0.991 504 G CA -0.669 44.366 45.100 -0.110 0.000 0.653 504 G HN 0.438 nan 8.290 nan 0.000 0.518 505 F N 0.950 120.795 119.950 -0.175 0.000 2.410 505 F HA 0.558 5.085 4.527 0.000 0.000 0.349 505 F C 1.604 177.287 175.800 -0.195 0.000 1.117 505 F CA 0.211 58.103 58.000 -0.180 0.000 1.104 505 F CB 1.936 40.819 39.000 -0.194 0.000 1.122 505 F HN 0.002 nan 8.300 nan 0.000 0.483 506 G N 2.914 111.615 108.800 -0.165 0.000 2.551 506 G HA2 0.061 4.021 3.960 0.000 0.000 0.216 506 G HA3 0.061 4.021 3.960 0.000 0.000 0.216 506 G C -0.253 174.177 174.900 -0.784 0.000 1.137 506 G CA 0.452 45.211 45.100 -0.569 0.000 0.798 506 G HN 0.378 nan 8.290 nan 0.000 0.536 507 F N -2.203 117.839 119.950 0.152 0.000 2.596 507 F HA 0.601 5.128 4.527 0.000 0.000 0.311 507 F C -1.306 174.623 175.800 0.216 0.000 1.116 507 F CA -1.565 56.532 58.000 0.162 0.000 0.957 507 F CB 1.820 40.830 39.000 0.017 0.000 1.250 507 F HN 0.016 nan 8.300 nan 0.000 0.444 508 W N 2.954 124.343 121.300 0.148 0.000 3.259 508 W HA 0.662 5.322 4.660 0.000 0.000 0.331 508 W C -1.406 175.118 176.519 0.008 0.000 1.144 508 W CA -0.950 56.409 57.345 0.024 0.000 1.227 508 W CB 1.880 31.336 29.460 -0.006 0.000 1.371 508 W HN 0.607 nan 8.180 nan 0.000 0.491 509 S N 3.151 118.355 115.700 -0.828 0.000 2.715 509 S HA 0.940 5.410 4.470 0.000 0.000 0.307 509 S C -0.943 172.980 174.600 -1.128 0.000 1.119 509 S CA -0.613 57.087 58.200 -0.833 0.000 0.937 509 S CB 2.431 65.083 63.200 -0.914 0.000 1.150 509 S HN 0.823 nan 8.310 nan 0.000 0.521 510 H N -2.316 116.252 119.070 -0.837 0.000 2.967 510 H HA 0.644 5.200 4.556 0.000 0.000 0.318 510 H C -2.250 172.954 175.328 -0.207 0.000 1.375 510 H CA -1.003 54.635 56.048 -0.682 0.000 1.132 510 H CB 0.336 29.577 29.762 -0.869 0.000 1.848 510 H HN 0.427 nan 8.280 nan 0.000 0.524 511 D N 1.013 121.378 120.400 -0.057 0.000 2.225 511 D HA 0.272 4.912 4.640 0.000 0.000 0.248 511 D C -0.001 176.112 176.300 -0.313 0.000 1.096 511 D CA -0.331 53.629 54.000 -0.067 0.000 0.863 511 D CB 1.424 42.293 40.800 0.116 0.000 1.156 511 D HN 0.418 nan 8.370 nan 0.000 0.450 512 I N 1.790 122.159 120.570 -0.334 0.000 2.436 512 I HA 0.260 4.430 4.170 0.000 0.000 0.289 512 I C 1.521 177.324 176.117 -0.524 0.000 1.083 512 I CA 0.516 61.527 61.300 -0.482 0.000 1.372 512 I CB 0.578 38.387 38.000 -0.319 0.000 1.408 512 I HN 0.696 nan 8.210 nan 0.000 0.516 513 G N 3.758 111.994 108.800 -0.939 0.000 2.201 513 G HA2 0.037 3.997 3.960 0.000 0.000 0.212 513 G HA3 0.037 3.997 3.960 0.000 0.000 0.212 513 G C 0.499 174.968 174.900 -0.718 0.000 0.994 513 G CA -0.246 44.534 45.100 -0.533 0.000 0.644 513 G HN 1.459 nan 8.290 nan 0.000 0.508 514 G N -1.581 106.571 108.800 -1.080 0.000 2.699 514 G HA2 0.186 4.146 3.960 0.000 0.000 0.686 514 G HA3 0.186 4.146 3.960 0.000 0.000 0.686 514 G C 0.202 175.039 174.900 -0.105 0.000 1.301 514 G CA 0.052 44.855 45.100 -0.496 0.000 0.816 514 G HN 1.224 nan 8.290 nan 0.000 0.595 515 F N 1.308 121.210 119.950 -0.080 0.000 2.050 515 F HA 0.229 4.756 4.527 0.000 0.000 0.284 515 F C 1.922 177.726 175.800 0.008 0.000 1.194 515 F CA 1.800 59.836 58.000 0.060 0.000 1.131 515 F CB -0.203 38.835 39.000 0.063 0.000 1.009 515 F HN 0.626 nan 8.300 nan 0.000 0.487 516 E N 1.663 121.992 120.200 0.214 0.000 2.468 516 E HA -0.077 4.273 4.350 0.000 0.000 0.263 516 E C -0.277 176.322 176.600 -0.002 0.000 1.192 516 E CA 0.225 56.639 56.400 0.023 0.000 1.016 516 E CB -0.327 29.125 29.700 -0.413 0.000 0.980 516 E HN 0.456 nan 8.360 nan 0.000 0.467 517 N N -1.118 117.621 118.700 0.065 0.000 5.071 517 N HA -0.134 4.606 4.740 0.000 0.000 0.359 517 N C -1.159 174.404 175.510 0.089 0.000 1.477 517 N CA 0.763 53.884 53.050 0.119 0.000 2.762 517 N CB -0.120 38.499 38.487 0.219 0.000 0.485 517 N HN 0.415 nan 8.380 nan 0.000 0.771 518 T N 1.219 115.828 114.554 0.092 0.000 2.733 518 T HA 0.537 4.887 4.350 0.000 0.000 0.294 518 T C 0.278 175.044 174.700 0.110 0.000 0.956 518 T CA -0.495 61.649 62.100 0.072 0.000 0.987 518 T CB 1.353 70.238 68.868 0.028 0.000 0.920 518 T HN 0.597 nan 8.240 nan 0.000 0.470 519 A N 5.738 128.656 122.820 0.164 0.000 2.363 519 A HA 0.632 4.952 4.320 0.000 0.000 0.270 519 A C -2.108 175.593 177.584 0.194 0.000 1.121 519 A CA -1.736 50.391 52.037 0.150 0.000 0.800 519 A CB -0.185 18.896 19.000 0.134 0.000 1.052 519 A HN 0.526 nan 8.150 nan 0.000 0.493 520 P HA 0.062 nan 4.420 nan 0.000 0.265 520 P C 1.033 178.278 177.300 -0.092 0.000 1.187 520 P CA 0.759 63.828 63.100 -0.052 0.000 0.766 520 P CB 0.619 32.110 31.700 -0.348 0.000 0.820 521 A N 4.006 126.882 122.820 0.092 0.000 1.929 521 A HA -0.298 4.022 4.320 0.000 0.000 0.221 521 A C 2.001 179.488 177.584 -0.163 0.000 1.211 521 A CA 2.703 54.725 52.037 -0.025 0.000 0.657 521 A CB -2.030 17.031 19.000 0.100 0.000 0.827 521 A HN 0.837 nan 8.150 nan 0.000 0.462 522 H N -1.996 117.070 119.070 -0.007 0.000 2.389 522 H HA 0.052 4.608 4.556 0.000 0.000 0.299 522 H C 1.628 177.131 175.328 0.291 0.000 1.081 522 H CA 1.274 57.375 56.048 0.088 0.000 1.345 522 H CB -0.886 29.142 29.762 0.444 0.000 1.393 522 H HN 0.136 nan 8.280 nan 0.000 0.520 523 V N 0.699 120.520 119.914 -0.155 0.000 2.295 523 V HA -0.300 3.820 4.120 0.000 0.000 0.246 523 V C 2.340 178.557 176.094 0.205 0.000 1.049 523 V CA 2.128 64.405 62.300 -0.039 0.000 1.024 523 V CB -0.920 30.742 31.823 -0.269 0.000 0.648 523 V HN 0.467 nan 8.190 nan 0.000 0.447 524 Y N 1.114 121.338 120.300 -0.128 0.000 2.128 524 Y HA -0.299 4.251 4.550 0.000 0.000 0.284 524 Y C 2.541 178.407 175.900 -0.057 0.000 1.154 524 Y CA 2.225 60.196 58.100 -0.215 0.000 1.149 524 Y CB -0.194 37.782 38.460 -0.806 0.000 0.976 524 Y HN 0.124 nan 8.280 nan 0.000 0.505 525 K N -0.270 120.140 120.400 0.017 0.000 2.026 525 K HA -0.163 4.157 4.320 0.000 0.000 0.208 525 K C 2.170 178.881 176.600 0.184 0.000 1.048 525 K CA 1.505 57.819 56.287 0.045 0.000 0.929 525 K CB -0.066 32.350 32.500 -0.140 0.000 0.713 525 K HN 0.102 nan 8.250 nan 0.000 0.439 526 R N -0.378 120.321 120.500 0.332 0.000 2.081 526 R HA -0.130 4.210 4.340 0.000 0.000 0.235 526 R C 2.026 178.454 176.300 0.213 0.000 1.131 526 R CA 1.018 57.293 56.100 0.293 0.000 0.960 526 R CB -0.717 29.823 30.300 0.400 0.000 0.856 526 R HN 0.441 nan 8.270 nan 0.000 0.436 527 W N 0.946 122.301 121.300 0.092 0.000 2.402 527 W HA -0.146 4.514 4.660 0.000 0.000 0.286 527 W C 1.953 178.440 176.519 -0.053 0.000 1.221 527 W CA 0.242 57.649 57.345 0.104 0.000 1.257 527 W CB -0.466 29.031 29.460 0.061 0.000 1.120 527 W HN 0.059 nan 8.180 nan 0.000 0.551 528 C N 0.099 119.423 119.300 0.039 0.000 2.429 528 C HA -0.141 4.319 4.460 0.000 0.000 0.277 528 C C 3.067 177.989 174.990 -0.112 0.000 1.262 528 C CA 1.669 60.630 59.018 -0.096 0.000 1.733 528 C CB -1.545 26.118 27.740 -0.129 0.000 2.010 528 C HN 0.354 nan 8.230 nan 0.000 0.483 529 A N 0.075 122.719 122.820 -0.293 0.000 1.902 529 A HA -0.163 4.157 4.320 0.000 0.000 0.217 529 A C 1.959 179.470 177.584 -0.122 0.000 1.181 529 A CA 1.642 53.233 52.037 -0.744 0.000 0.623 529 A CB -0.799 17.684 19.000 -0.861 0.000 0.818 529 A HN 0.521 nan 8.150 nan 0.000 0.443 530 F N 1.460 121.363 119.950 -0.077 0.000 2.102 530 F HA -0.008 4.519 4.527 0.000 0.000 0.298 530 F C 2.229 178.196 175.800 0.278 0.000 1.105 530 F CA 1.329 59.401 58.000 0.121 0.000 1.239 530 F CB -1.100 37.937 39.000 0.061 0.000 0.991 530 F HN 0.166 nan 8.300 nan 0.000 0.474 531 G N 0.716 109.549 108.800 0.054 0.000 2.432 531 G HA2 -0.162 3.798 3.960 0.000 0.000 0.219 531 G HA3 -0.162 3.798 3.960 0.000 0.000 0.219 531 G C 1.557 176.422 174.900 -0.058 0.000 1.135 531 G CA 0.674 45.631 45.100 -0.239 0.000 0.767 531 G HN 0.365 nan 8.290 nan 0.000 0.550 532 L N -0.221 121.044 121.223 0.070 0.000 2.509 532 L HA 0.302 4.642 4.340 0.000 0.000 0.222 532 L C 1.253 178.259 176.870 0.227 0.000 1.123 532 L CA 0.527 55.458 54.840 0.151 0.000 0.856 532 L CB -0.065 42.128 42.059 0.224 0.000 0.985 532 L HN 0.131 nan 8.230 nan 0.000 0.456 533 L N -0.844 120.546 121.223 0.278 0.000 2.984 533 L HA 0.264 4.604 4.340 0.000 0.000 0.246 533 L C 0.533 177.681 176.870 0.464 0.000 1.268 533 L CA 0.249 55.306 54.840 0.361 0.000 1.054 533 L CB -0.376 41.901 42.059 0.363 0.000 1.393 533 L HN -0.019 nan 8.230 nan 0.000 0.532 534 S N -1.809 114.102 115.700 0.352 0.000 2.689 534 S HA 0.367 4.837 4.470 0.000 0.000 0.306 534 S C 1.234 175.990 174.600 0.260 0.000 1.104 534 S CA 0.038 58.449 58.200 0.351 0.000 0.973 534 S CB 1.918 65.323 63.200 0.340 0.000 1.121 534 S HN 0.380 nan 8.310 nan 0.000 0.523 535 S N 0.652 116.527 115.700 0.291 0.000 2.356 535 S HA -0.086 4.384 4.470 0.000 0.000 0.223 535 S C 0.149 174.645 174.600 -0.175 0.000 1.032 535 S CA 1.162 59.523 58.200 0.269 0.000 1.005 535 S CB -0.494 63.035 63.200 0.549 0.000 0.867 535 S HN 0.753 nan 8.310 nan 0.000 0.449 536 H N 0.073 119.131 119.070 -0.021 0.000 2.637 536 H HA 0.747 5.303 4.556 0.000 0.000 0.363 536 H C -1.106 174.110 175.328 -0.186 0.000 1.131 536 H CA -0.507 55.448 56.048 -0.155 0.000 1.183 536 H CB 2.127 31.688 29.762 -0.335 0.000 1.637 536 H HN 0.171 nan 8.280 nan 0.000 0.531 537 S N 2.319 118.002 115.700 -0.028 0.000 2.733 537 S HA 0.494 4.964 4.470 0.000 0.000 0.294 537 S C -0.698 173.917 174.600 0.026 0.000 1.149 537 S CA -0.915 57.247 58.200 -0.063 0.000 1.034 537 S CB 1.611 64.827 63.200 0.025 0.000 1.015 537 S HN 0.572 nan 8.310 nan 0.000 0.486 538 R N 2.784 123.249 120.500 -0.058 0.000 2.575 538 R HA 0.519 4.859 4.340 0.000 0.000 0.293 538 R C -1.529 174.754 176.300 -0.028 0.000 0.983 538 R CA -0.667 55.434 56.100 0.002 0.000 0.887 538 R CB 0.954 31.230 30.300 -0.040 0.000 1.184 538 R HN 0.617 nan 8.270 nan 0.000 0.445 539 L N 5.157 126.391 121.223 0.018 0.000 2.260 539 L HA 0.417 4.757 4.340 0.000 0.000 0.289 539 L C -0.687 176.209 176.870 0.043 0.000 1.057 539 L CA -0.064 54.786 54.840 0.018 0.000 0.811 539 L CB 0.680 42.766 42.059 0.045 0.000 1.184 539 L HN 0.858 nan 8.230 nan 0.000 0.429 540 H N 2.544 121.554 119.070 -0.100 0.000 2.961 540 H HA 0.518 5.074 4.556 0.000 0.000 0.278 540 H C -1.128 174.093 175.328 -0.178 0.000 1.338 540 H CA -0.191 55.767 56.048 -0.150 0.000 1.373 540 H CB 1.236 30.895 29.762 -0.171 0.000 1.915 540 H HN 0.631 nan 8.280 nan 0.000 0.500 541 G N 0.533 109.064 108.800 -0.449 0.000 2.706 541 G HA2 0.328 4.288 3.960 0.000 0.000 0.307 541 G HA3 0.328 4.288 3.960 0.000 0.000 0.307 541 G C -0.392 174.100 174.900 -0.679 0.000 1.307 541 G CA 0.017 44.911 45.100 -0.343 0.000 0.790 541 G HN 0.568 nan 8.290 nan 0.000 0.503 542 S N -1.096 114.370 115.700 -0.390 0.000 2.355 542 S HA 0.070 4.540 4.470 0.000 0.000 0.216 542 S C 1.908 176.543 174.600 0.058 0.000 1.037 542 S CA 1.957 60.112 58.200 -0.075 0.000 0.955 542 S CB -0.221 63.147 63.200 0.280 0.000 0.877 542 S HN 0.632 nan 8.310 nan 0.000 0.488 543 K N 0.123 120.538 120.400 0.026 0.000 2.567 543 K HA 0.290 4.610 4.320 0.000 0.000 0.199 543 K C 0.688 177.303 176.600 0.026 0.000 1.412 543 K CA 0.242 56.542 56.287 0.022 0.000 1.020 543 K CB -0.227 32.287 32.500 0.023 0.000 1.487 543 K HN 0.273 nan 8.250 nan 0.000 0.531 544 S N 0.686 116.395 115.700 0.015 0.000 2.579 544 S HA 0.109 4.579 4.470 0.000 0.000 0.275 544 S C -0.284 174.378 174.600 0.103 0.000 1.345 544 S CA -0.704 57.502 58.200 0.010 0.000 1.031 544 S CB 0.067 63.246 63.200 -0.035 0.000 0.892 544 S HN 0.126 nan 8.310 nan 0.000 0.529 545 Y N 1.407 121.623 120.300 -0.139 0.000 2.425 545 Y HA 0.325 4.875 4.550 0.000 0.000 0.331 545 Y C 1.457 177.275 175.900 -0.137 0.000 1.157 545 Y CA -0.691 57.333 58.100 -0.128 0.000 1.372 545 Y CB 0.675 39.013 38.460 -0.204 0.000 1.253 545 Y HN 0.665 nan 8.280 nan 0.000 0.536 546 R N 3.029 123.483 120.500 -0.078 0.000 2.609 546 R HA 0.145 4.485 4.340 0.000 0.000 0.326 546 R C -0.873 175.389 176.300 -0.064 0.000 1.090 546 R CA -0.215 55.862 56.100 -0.038 0.000 1.072 546 R CB -0.596 29.666 30.300 -0.064 0.000 1.330 546 R HN 0.395 nan 8.270 nan 0.000 0.572 547 V N -0.933 118.800 119.914 -0.301 0.000 2.408 547 V HA 0.305 4.425 4.120 0.000 0.000 0.267 547 V C -1.782 173.956 176.094 -0.593 0.000 1.047 547 V CA -1.676 60.196 62.300 -0.714 0.000 0.937 547 V CB 1.694 32.633 31.823 -1.473 0.000 0.999 547 V HN -0.055 nan 8.190 nan 0.000 0.472 548 P HA -0.132 nan 4.420 nan 0.000 0.216 548 P C 1.222 178.566 177.300 0.074 0.000 1.154 548 P CA 2.393 65.526 63.100 0.055 0.000 0.865 548 P CB -0.108 31.788 31.700 0.325 0.000 0.789 549 W N -0.771 120.592 121.300 0.104 0.000 2.721 549 W HA 0.269 4.929 4.660 0.000 0.000 0.245 549 W C 1.821 178.352 176.519 0.019 0.000 1.276 549 W CA 0.466 57.851 57.345 0.067 0.000 1.342 549 W CB -1.647 27.844 29.460 0.052 0.000 1.135 549 W HN -0.145 nan 8.180 nan 0.000 0.654 550 A N 0.614 123.218 122.820 -0.359 0.000 1.972 550 A HA -0.155 4.166 4.320 0.000 0.000 0.219 550 A C 1.666 179.088 177.584 -0.270 0.000 1.169 550 A CA 1.496 53.346 52.037 -0.312 0.000 0.635 550 A CB -1.065 17.661 19.000 -0.456 0.000 0.810 550 A HN 0.497 nan 8.150 nan 0.000 0.446 551 Y N 0.337 120.525 120.300 -0.188 0.000 2.138 551 Y HA 0.130 4.680 4.550 0.000 0.000 0.286 551 Y C 0.682 176.557 175.900 -0.043 0.000 1.115 551 Y CA 1.238 59.248 58.100 -0.150 0.000 1.105 551 Y CB 0.133 38.449 38.460 -0.240 0.000 1.004 551 Y HN 0.616 nan 8.280 nan 0.000 0.494 552 D N -3.848 116.663 120.400 0.185 0.000 2.808 552 D HA 0.042 4.682 4.640 0.000 0.000 0.294 552 D C -0.557 175.852 176.300 0.181 0.000 1.278 552 D CA -0.448 53.643 54.000 0.152 0.000 0.756 552 D CB 0.042 40.916 40.800 0.124 0.000 1.271 552 D HN -0.185 nan 8.370 nan 0.000 0.425 553 D N -0.173 120.323 120.400 0.161 0.000 2.144 553 D HA -0.103 4.537 4.640 0.000 0.000 0.200 553 D C 1.477 177.878 176.300 0.170 0.000 0.978 553 D CA 1.284 55.386 54.000 0.170 0.000 0.833 553 D CB 0.071 40.947 40.800 0.127 0.000 0.961 553 D HN 0.647 nan 8.370 nan 0.000 0.470 554 E N 0.417 120.705 120.200 0.146 0.000 2.118 554 E HA -0.158 4.193 4.350 0.000 0.000 0.195 554 E C 1.782 178.482 176.600 0.166 0.000 0.992 554 E CA 1.059 57.547 56.400 0.147 0.000 0.804 554 E CB 0.120 29.894 29.700 0.124 0.000 0.741 554 E HN 0.014 nan 8.360 nan 0.000 0.458 555 S N -0.342 115.458 115.700 0.168 0.000 2.419 555 S HA -0.196 4.274 4.470 0.000 0.000 0.235 555 S C 1.957 176.737 174.600 0.299 0.000 1.019 555 S CA 1.015 59.355 58.200 0.233 0.000 0.982 555 S CB -0.290 63.051 63.200 0.235 0.000 0.789 555 S HN 0.466 nan 8.310 nan 0.000 0.490 556 C N 1.546 121.019 119.300 0.288 0.000 2.466 556 C HA -0.015 4.445 4.460 0.000 0.000 0.278 556 C C 2.425 177.564 174.990 0.248 0.000 1.288 556 C CA 0.248 59.448 59.018 0.303 0.000 1.722 556 C CB -1.069 26.846 27.740 0.292 0.000 2.017 556 C HN 0.564 nan 8.230 nan 0.000 0.488 557 D N 0.686 121.215 120.400 0.215 0.000 2.144 557 D HA -0.098 4.542 4.640 0.000 0.000 0.199 557 D C 2.165 178.614 176.300 0.248 0.000 0.984 557 D CA 1.046 55.165 54.000 0.197 0.000 0.834 557 D CB -0.480 40.416 40.800 0.161 0.000 0.955 557 D HN 0.286 nan 8.370 nan 0.000 0.465 558 V N 0.969 121.050 119.914 0.279 0.000 2.261 558 V HA -0.223 3.897 4.120 0.000 0.000 0.246 558 V C 2.757 179.122 176.094 0.451 0.000 1.047 558 V CA 1.114 63.649 62.300 0.391 0.000 1.015 558 V CB -0.609 31.423 31.823 0.348 0.000 0.642 558 V HN 0.042 nan 8.190 nan 0.000 0.446 559 V N -0.132 119.978 119.914 0.326 0.000 2.282 559 V HA -0.357 3.763 4.120 0.000 0.000 0.249 559 V C 2.564 178.819 176.094 0.268 0.000 1.057 559 V CA 2.665 65.135 62.300 0.284 0.000 1.032 559 V CB -0.800 31.174 31.823 0.251 0.000 0.645 559 V HN 0.470 nan 8.190 nan 0.000 0.447 560 R N -1.019 119.624 120.500 0.238 0.000 2.070 560 R HA -0.183 4.157 4.340 0.000 0.000 0.233 560 R C 2.250 178.628 176.300 0.130 0.000 1.137 560 R CA 2.110 58.311 56.100 0.167 0.000 0.945 560 R CB -0.434 29.950 30.300 0.141 0.000 0.845 560 R HN 0.496 nan 8.270 nan 0.000 0.430 561 F N -0.083 119.853 119.950 -0.024 0.000 2.095 561 F HA -0.188 4.339 4.527 0.000 0.000 0.298 561 F C 1.466 177.057 175.800 -0.350 0.000 1.104 561 F CA 1.601 59.454 58.000 -0.245 0.000 1.232 561 F CB -0.162 38.608 39.000 -0.385 0.000 0.987 561 F HN -0.016 nan 8.300 nan 0.000 0.475 562 F N -0.251 119.808 119.950 0.181 0.000 2.512 562 F HA -0.049 4.478 4.527 0.000 0.000 0.296 562 F C 2.362 178.178 175.800 0.027 0.000 1.110 562 F CA 1.266 59.316 58.000 0.083 0.000 1.446 562 F CB -1.053 38.063 39.000 0.194 0.000 1.092 562 F HN -0.151 nan 8.300 nan 0.000 0.554 563 T N -0.551 114.119 114.554 0.193 0.000 2.701 563 T HA -0.205 4.145 4.350 0.000 0.000 0.263 563 T C 1.930 176.671 174.700 0.069 0.000 1.040 563 T CA 1.360 63.556 62.100 0.161 0.000 1.147 563 T CB -0.383 68.597 68.868 0.187 0.000 0.865 563 T HN 0.239 nan 8.240 nan 0.000 0.426 564 Q N 0.271 120.054 119.800 -0.029 0.000 2.062 564 Q HA -0.175 4.165 4.340 0.000 0.000 0.209 564 Q C 2.362 178.258 176.000 -0.173 0.000 0.996 564 Q CA 1.564 57.298 55.803 -0.114 0.000 0.859 564 Q CB -0.498 28.114 28.738 -0.211 0.000 0.920 564 Q HN 0.300 nan 8.270 nan 0.000 0.415 565 L N 1.285 122.310 121.223 -0.329 0.000 1.990 565 L HA -0.259 4.081 4.340 0.000 0.000 0.213 565 L C 2.264 179.093 176.870 -0.068 0.000 1.072 565 L CA 2.022 56.674 54.840 -0.313 0.000 0.755 565 L CB -0.459 41.303 42.059 -0.495 0.000 0.889 565 L HN 0.076 nan 8.230 nan 0.000 0.432 566 K N -1.335 119.083 120.400 0.031 0.000 2.063 566 K HA -0.211 4.109 4.320 0.000 0.000 0.208 566 K C 2.094 178.758 176.600 0.107 0.000 1.048 566 K CA 1.917 58.270 56.287 0.111 0.000 0.928 566 K CB -0.327 32.271 32.500 0.164 0.000 0.713 566 K HN 0.549 nan 8.250 nan 0.000 0.442 567 C N 0.463 119.824 119.300 0.103 0.000 2.440 567 C HA 0.016 4.476 4.460 0.000 0.000 0.278 567 C C 2.496 177.624 174.990 0.230 0.000 1.295 567 C CA 0.426 59.546 59.018 0.171 0.000 1.738 567 C CB -0.820 27.000 27.740 0.134 0.000 1.987 567 C HN 0.483 nan 8.230 nan 0.000 0.492 568 R N 0.383 120.950 120.500 0.111 0.000 2.148 568 R HA 0.006 4.346 4.340 0.000 0.000 0.227 568 R C 1.920 178.283 176.300 0.106 0.000 1.103 568 R CA 1.025 57.196 56.100 0.118 0.000 0.983 568 R CB -0.278 30.024 30.300 0.004 0.000 0.874 568 R HN 0.584 nan 8.270 nan 0.000 0.451 569 M N -0.132 119.513 119.600 0.076 0.000 2.595 569 M HA 0.016 4.496 4.480 0.000 0.000 0.248 569 M C 1.590 177.893 176.300 0.005 0.000 1.119 569 M CA 0.453 55.802 55.300 0.082 0.000 1.079 569 M CB 0.101 32.782 32.600 0.135 0.000 1.472 569 M HN 0.029 nan 8.290 nan 0.000 0.501 570 M N 0.281 119.832 119.600 -0.081 0.000 2.202 570 M HA -0.104 4.376 4.480 0.000 0.000 0.262 570 M C -0.743 175.027 176.300 -0.882 0.000 1.063 570 M CA 1.738 56.799 55.300 -0.398 0.000 1.097 570 M CB -2.153 30.264 32.600 -0.305 0.000 1.382 570 M HN 0.014 nan 8.290 nan 0.000 0.413 571 P HA -0.161 nan 4.420 nan 0.000 0.217 571 P C 1.583 178.707 177.300 -0.293 0.000 1.151 571 P CA 1.117 63.821 63.100 -0.660 0.000 0.828 571 P CB -0.363 31.190 31.700 -0.244 0.000 0.788 572 Y N 0.305 120.458 120.300 -0.246 0.000 2.163 572 Y HA -0.159 4.391 4.550 0.000 0.000 0.288 572 Y C 1.956 177.755 175.900 -0.167 0.000 1.136 572 Y CA 1.426 59.443 58.100 -0.139 0.000 1.147 572 Y CB -1.143 37.276 38.460 -0.068 0.000 0.987 572 Y HN -0.247 nan 8.280 nan 0.000 0.509 573 L N -0.760 120.265 121.223 -0.330 0.000 2.027 573 L HA -0.196 4.145 4.340 0.000 0.000 0.206 573 L C 2.245 178.856 176.870 -0.433 0.000 1.074 573 L CA 1.704 56.306 54.840 -0.397 0.000 0.745 573 L CB -1.863 40.088 42.059 -0.179 0.000 0.898 573 L HN 0.325 nan 8.230 nan 0.000 0.433 574 Y N 0.239 120.115 120.300 -0.708 0.000 2.315 574 Y HA -0.268 4.282 4.550 0.000 0.000 0.288 574 Y C 2.754 178.416 175.900 -0.397 0.000 1.154 574 Y CA 1.563 59.242 58.100 -0.702 0.000 1.229 574 Y CB -0.110 37.761 38.460 -0.982 0.000 0.980 574 Y HN 0.121 nan 8.280 nan 0.000 0.540 575 R N 0.594 120.894 120.500 -0.333 0.000 2.075 575 R HA -0.063 4.277 4.340 0.000 0.000 0.226 575 R C 1.867 178.013 176.300 -0.256 0.000 1.114 575 R CA 1.642 57.603 56.100 -0.232 0.000 0.972 575 R CB -0.409 29.805 30.300 -0.143 0.000 0.869 575 R HN 0.166 nan 8.270 nan 0.000 0.437 576 E N 0.524 120.518 120.200 -0.344 0.000 2.153 576 E HA -0.108 4.242 4.350 0.000 0.000 0.194 576 E C 1.838 178.326 176.600 -0.185 0.000 0.988 576 E CA 1.326 57.553 56.400 -0.289 0.000 0.811 576 E CB -0.387 29.070 29.700 -0.405 0.000 0.746 576 E HN 0.448 nan 8.360 nan 0.000 0.466 577 A N 1.405 124.122 122.820 -0.172 0.000 1.972 577 A HA -0.053 4.268 4.320 0.000 0.000 0.219 577 A C 2.364 179.945 177.584 -0.005 0.000 1.169 577 A CA 1.776 53.847 52.037 0.058 0.000 0.635 577 A CB -0.370 18.667 19.000 0.062 0.000 0.810 577 A HN 0.257 nan 8.150 nan 0.000 0.446 578 A N -0.552 122.153 122.820 -0.192 0.000 2.016 578 A HA -0.024 4.296 4.320 0.000 0.000 0.217 578 A C 2.154 179.690 177.584 -0.080 0.000 1.162 578 A CA 1.032 52.987 52.037 -0.137 0.000 0.662 578 A CB -0.369 18.538 19.000 -0.155 0.000 0.812 578 A HN 0.519 nan 8.150 nan 0.000 0.450 579 R N -0.356 120.082 120.500 -0.102 0.000 2.105 579 R HA -0.140 4.200 4.340 0.000 0.000 0.239 579 R C 2.422 178.654 176.300 -0.112 0.000 1.135 579 R CA 1.258 57.297 56.100 -0.101 0.000 0.967 579 R CB -0.395 29.835 30.300 -0.117 0.000 0.861 579 R HN 0.519 nan 8.270 nan 0.000 0.442 580 A N 1.215 123.951 122.820 -0.139 0.000 1.902 580 A HA -0.208 4.112 4.320 0.000 0.000 0.217 580 A C 1.931 179.450 177.584 -0.108 0.000 1.181 580 A CA 1.557 53.463 52.037 -0.217 0.000 0.623 580 A CB -0.758 17.906 19.000 -0.560 0.000 0.818 580 A HN 0.453 nan 8.150 nan 0.000 0.443 581 N N 0.063 118.764 118.700 0.002 0.000 2.188 581 N HA -0.098 4.642 4.740 0.000 0.000 0.184 581 N C 1.832 177.319 175.510 -0.037 0.000 1.018 581 N CA 1.273 54.335 53.050 0.020 0.000 0.858 581 N CB -0.151 38.375 38.487 0.065 0.000 0.989 581 N HN 0.379 nan 8.380 nan 0.000 0.426 582 A N 0.474 123.265 122.820 -0.049 0.000 1.935 582 A HA 0.112 4.432 4.320 0.000 0.000 0.214 582 A C 2.047 179.588 177.584 -0.071 0.000 1.178 582 A CA 0.676 52.680 52.037 -0.054 0.000 0.640 582 A CB 0.090 19.060 19.000 -0.050 0.000 0.825 582 A HN 0.258 nan 8.150 nan 0.000 0.447 583 R N -2.642 117.807 120.500 -0.086 0.000 2.541 583 R HA 0.229 4.569 4.340 0.000 0.000 0.332 583 R C 0.922 177.157 176.300 -0.108 0.000 0.951 583 R CA 0.584 56.630 56.100 -0.090 0.000 1.136 583 R CB 0.769 31.020 30.300 -0.082 0.000 1.449 583 R HN 0.660 nan 8.270 nan 0.000 0.531 584 G N 1.638 110.358 108.800 -0.133 0.000 2.148 584 G HA2 -0.267 3.693 3.960 0.000 0.000 0.254 584 G HA3 -0.267 3.693 3.960 0.000 0.000 0.254 584 G C 0.135 174.939 174.900 -0.161 0.000 0.981 584 G CA 0.671 45.675 45.100 -0.160 0.000 0.670 584 G HN 0.249 nan 8.290 nan 0.000 0.528 585 T N 3.738 118.199 114.554 -0.155 0.000 2.752 585 T HA 0.469 4.819 4.350 0.000 0.000 0.295 585 T C -1.700 172.881 174.700 -0.199 0.000 0.923 585 T CA -0.380 61.630 62.100 -0.150 0.000 1.112 585 T CB 1.806 70.597 68.868 -0.128 0.000 0.884 585 T HN 0.296 nan 8.240 nan 0.000 0.525 586 P HA 0.194 nan 4.420 nan 0.000 0.274 586 P C 0.814 178.011 177.300 -0.171 0.000 1.231 586 P CA -0.419 62.547 63.100 -0.222 0.000 0.790 586 P CB 0.825 32.437 31.700 -0.148 0.000 0.951 587 M N 0.998 120.490 119.600 -0.181 0.000 2.117 587 M HA -0.060 4.420 4.480 0.000 0.000 0.262 587 M C 1.397 177.739 176.300 0.070 0.000 1.065 587 M CA 1.813 57.093 55.300 -0.032 0.000 1.114 587 M CB -0.118 32.526 32.600 0.074 0.000 1.361 587 M HN 0.379 nan 8.290 nan 0.000 0.408 588 M N 1.262 120.900 119.600 0.064 0.000 2.069 588 M HA 0.286 4.766 4.480 0.000 0.000 0.349 588 M C -1.060 175.250 176.300 0.017 0.000 1.194 588 M CA -0.111 55.240 55.300 0.086 0.000 1.081 588 M CB 0.472 33.047 32.600 -0.042 0.000 1.500 588 M HN -0.018 nan 8.290 nan 0.000 0.438 589 R N 3.568 124.128 120.500 0.100 0.000 2.514 589 R HA 0.728 5.068 4.340 0.000 0.000 0.301 589 R C -0.313 176.026 176.300 0.064 0.000 0.962 589 R CA -0.714 55.402 56.100 0.028 0.000 0.882 589 R CB 1.661 31.963 30.300 0.004 0.000 1.143 589 R HN 0.801 nan 8.270 nan 0.000 0.452 590 A N 3.152 125.961 122.820 -0.019 0.000 2.466 590 A HA 0.071 4.391 4.320 0.000 0.000 0.238 590 A C 1.183 178.783 177.584 0.028 0.000 1.074 590 A CA -0.204 51.827 52.037 -0.011 0.000 0.774 590 A CB 0.198 19.132 19.000 -0.109 0.000 1.015 590 A HN 0.777 nan 8.150 nan 0.000 0.498 591 M N 1.576 121.226 119.600 0.083 0.000 2.159 591 M HA -0.191 4.289 4.480 0.000 0.000 0.263 591 M C 2.049 178.434 176.300 0.141 0.000 1.063 591 M CA 2.239 57.650 55.300 0.185 0.000 1.110 591 M CB -1.496 31.208 32.600 0.172 0.000 1.374 591 M HN 0.991 nan 8.290 nan 0.000 0.411 592 M N -0.865 118.729 119.600 -0.010 0.000 2.202 592 M HA -0.142 4.338 4.480 0.000 0.000 0.262 592 M C 2.121 178.341 176.300 -0.133 0.000 1.063 592 M CA 1.826 57.068 55.300 -0.096 0.000 1.097 592 M CB -0.966 31.459 32.600 -0.292 0.000 1.382 592 M HN 0.242 nan 8.290 nan 0.000 0.413 593 M N -0.175 119.330 119.600 -0.158 0.000 2.156 593 M HA -0.120 4.360 4.480 0.000 0.000 0.264 593 M C 2.037 178.247 176.300 -0.150 0.000 1.067 593 M CA 1.998 57.199 55.300 -0.165 0.000 1.131 593 M CB -0.060 32.445 32.600 -0.158 0.000 1.368 593 M HN 0.437 nan 8.290 nan 0.000 0.416 594 E N 0.131 120.235 120.200 -0.160 0.000 2.158 594 E HA -0.043 4.307 4.350 0.000 0.000 0.191 594 E C -0.349 175.864 176.600 -0.646 0.000 0.982 594 E CA 1.104 57.265 56.400 -0.398 0.000 0.823 594 E CB 0.113 29.546 29.700 -0.445 0.000 0.766 594 E HN 0.533 nan 8.360 nan 0.000 0.468 595 F N 0.687 120.649 119.950 0.021 0.000 2.523 595 F HA 0.327 4.854 4.527 0.000 0.000 0.322 595 F C -1.751 174.052 175.800 0.006 0.000 1.361 595 F CA -1.877 56.146 58.000 0.039 0.000 1.151 595 F CB 1.645 40.701 39.000 0.093 0.000 1.391 595 F HN -0.015 nan 8.300 nan 0.000 0.566 596 P HA -0.128 nan 4.420 nan 0.000 0.222 596 P C 0.323 177.653 177.300 0.049 0.000 1.147 596 P CA 1.382 64.496 63.100 0.023 0.000 0.790 596 P CB 0.440 32.127 31.700 -0.023 0.000 0.780 597 D N -0.801 119.649 120.400 0.084 0.000 2.369 597 D HA 0.020 4.660 4.640 0.000 0.000 0.211 597 D C 0.246 176.599 176.300 0.088 0.000 1.077 597 D CA 0.246 54.290 54.000 0.074 0.000 0.842 597 D CB -0.030 40.813 40.800 0.071 0.000 0.947 597 D HN 0.142 nan 8.370 nan 0.000 0.509 598 D N 1.956 122.426 120.400 0.118 0.000 2.339 598 D HA 0.061 4.701 4.640 0.000 0.000 0.241 598 D C -1.303 175.015 176.300 0.030 0.000 1.183 598 D CA -1.902 52.154 54.000 0.092 0.000 0.859 598 D CB 1.940 42.821 40.800 0.136 0.000 1.067 598 D HN -0.041 nan 8.370 nan 0.000 0.484 599 P HA -0.058 nan 4.420 nan 0.000 0.226 599 P C 0.823 178.094 177.300 -0.047 0.000 1.153 599 P CA 0.367 63.467 63.100 0.000 0.000 0.777 599 P CB 0.289 31.997 31.700 0.013 0.000 0.794 600 A N -0.818 121.903 122.820 -0.166 0.000 2.167 600 A HA -0.029 4.291 4.320 0.000 0.000 0.214 600 A C 2.071 179.433 177.584 -0.370 0.000 1.151 600 A CA 0.756 52.560 52.037 -0.387 0.000 0.735 600 A CB -1.335 17.061 19.000 -1.006 0.000 0.802 600 A HN 0.256 nan 8.150 nan 0.000 0.467 601 C N -0.498 118.691 119.300 -0.184 0.000 2.696 601 C HA 0.086 4.546 4.460 0.000 0.000 0.264 601 C C 1.803 176.792 174.990 -0.001 0.000 1.288 601 C CA -0.063 58.913 59.018 -0.070 0.000 1.717 601 C CB -0.830 26.935 27.740 0.042 0.000 1.893 601 C HN 0.550 nan 8.230 nan 0.000 0.577 602 D N 0.674 121.076 120.400 0.003 0.000 2.149 602 D HA -0.122 4.518 4.640 0.000 0.000 0.198 602 D C 1.060 177.258 176.300 -0.171 0.000 0.990 602 D CA 1.670 55.627 54.000 -0.072 0.000 0.839 602 D CB -0.078 40.633 40.800 -0.148 0.000 0.948 602 D HN 0.585 nan 8.370 nan 0.000 0.460 603 Y N -0.399 119.945 120.300 0.074 0.000 2.481 603 Y HA 0.293 4.843 4.550 0.000 0.000 0.247 603 Y C 0.439 176.381 175.900 0.070 0.000 1.151 603 Y CA -0.389 57.748 58.100 0.063 0.000 1.238 603 Y CB 0.350 38.822 38.460 0.021 0.000 1.179 603 Y HN -0.221 nan 8.280 nan 0.000 0.524 604 L N 2.868 124.194 121.223 0.171 0.000 2.477 604 L HA 0.034 4.374 4.340 0.000 0.000 0.272 604 L C 0.335 177.267 176.870 0.104 0.000 1.157 604 L CA 0.474 55.395 54.840 0.134 0.000 0.889 604 L CB 0.427 42.523 42.059 0.063 0.000 1.158 604 L HN 0.328 nan 8.230 nan 0.000 0.473 605 D N 1.380 121.834 120.400 0.092 0.000 2.516 605 D HA 0.006 4.646 4.640 0.000 0.000 0.241 605 D C 1.141 177.450 176.300 0.014 0.000 1.246 605 D CA -0.197 53.829 54.000 0.042 0.000 0.808 605 D CB 0.282 41.092 40.800 0.016 0.000 1.147 605 D HN 0.384 nan 8.370 nan 0.000 0.527 606 R N 0.341 120.868 120.500 0.045 0.000 2.362 606 R HA 0.219 4.559 4.340 0.000 0.000 0.227 606 R C 0.444 176.850 176.300 0.176 0.000 0.905 606 R CA 0.154 56.283 56.100 0.047 0.000 1.067 606 R CB 0.581 30.880 30.300 -0.001 0.000 1.078 606 R HN 0.398 nan 8.270 nan 0.000 0.516 607 Q N -0.194 119.693 119.800 0.144 0.000 2.615 607 Q HA 0.489 4.829 4.340 0.000 0.000 0.298 607 Q C -1.251 174.875 176.000 0.210 0.000 1.023 607 Q CA -1.214 54.648 55.803 0.098 0.000 0.768 607 Q CB 1.764 30.489 28.738 -0.021 0.000 1.500 607 Q HN 0.065 nan 8.270 nan 0.000 0.441 608 Y N -2.481 117.821 120.300 0.003 0.000 2.713 608 Y HA 0.640 5.190 4.550 0.000 0.000 0.335 608 Y C -1.607 174.335 175.900 0.070 0.000 1.222 608 Y CA -1.610 56.511 58.100 0.035 0.000 1.061 608 Y CB 1.215 39.697 38.460 0.037 0.000 1.314 608 Y HN 0.492 nan 8.280 nan 0.000 0.453 609 M N 2.916 122.674 119.600 0.263 0.000 2.238 609 M HA 0.359 4.839 4.480 0.000 0.000 0.350 609 M C -1.271 175.206 176.300 0.296 0.000 1.138 609 M CA -0.742 54.678 55.300 0.202 0.000 1.040 609 M CB 1.393 34.110 32.600 0.196 0.000 1.639 609 M HN 0.726 nan 8.290 nan 0.000 0.451 610 L N 4.004 125.376 121.223 0.248 0.000 2.287 610 L HA 0.647 4.987 4.340 0.000 0.000 0.280 610 L C 0.461 177.486 176.870 0.258 0.000 1.055 610 L CA 0.691 55.718 54.840 0.312 0.000 0.863 610 L CB 0.019 42.276 42.059 0.330 0.000 1.245 610 L HN 0.956 nan 8.230 nan 0.000 0.432 611 G N 3.932 112.811 108.800 0.131 0.000 2.750 611 G HA2 -0.290 3.670 3.960 0.000 0.000 0.228 611 G HA3 -0.290 3.670 3.960 0.000 0.000 0.228 611 G C 0.356 175.324 174.900 0.113 0.000 1.367 611 G CA 0.023 45.138 45.100 0.025 0.000 0.871 611 G HN 0.529 nan 8.290 nan 0.000 0.560 612 D N 0.366 120.823 120.400 0.095 0.000 2.144 612 D HA -0.051 4.589 4.640 0.000 0.000 0.199 612 D C 2.058 178.424 176.300 0.111 0.000 0.984 612 D CA 1.678 55.715 54.000 0.062 0.000 0.834 612 D CB 0.001 40.829 40.800 0.047 0.000 0.955 612 D HN 0.372 nan 8.370 nan 0.000 0.465 613 N N -0.449 118.380 118.700 0.215 0.000 2.171 613 N HA 0.046 4.786 4.740 0.000 0.000 0.212 613 N C -0.200 175.340 175.510 0.049 0.000 1.184 613 N CA 0.013 53.102 53.050 0.064 0.000 0.888 613 N CB 2.276 40.723 38.487 -0.067 0.000 1.038 613 N HN 0.063 nan 8.380 nan 0.000 0.517 614 V N 1.154 121.163 119.914 0.159 0.000 2.531 614 V HA 0.515 4.635 4.120 0.000 0.000 0.301 614 V C -0.738 175.441 176.094 0.141 0.000 1.034 614 V CA -0.765 61.602 62.300 0.112 0.000 0.865 614 V CB 2.220 34.022 31.823 -0.036 0.000 0.995 614 V HN -0.080 nan 8.190 nan 0.000 0.424 615 M N 7.622 127.292 119.600 0.116 0.000 2.113 615 M HA 0.530 5.010 4.480 0.000 0.000 0.352 615 M C -1.161 174.972 176.300 -0.278 0.000 1.170 615 M CA -0.260 54.985 55.300 -0.091 0.000 1.053 615 M CB 1.108 33.558 32.600 -0.250 0.000 1.601 615 M HN 0.865 nan 8.290 nan 0.000 0.459 616 V N 5.228 124.859 119.914 -0.472 0.000 2.495 616 V HA 0.913 5.033 4.120 0.000 0.000 0.298 616 V C -1.021 174.733 176.094 -0.567 0.000 1.031 616 V CA -0.361 61.610 62.300 -0.548 0.000 0.871 616 V CB 1.483 33.013 31.823 -0.488 0.000 0.988 616 V HN 0.965 nan 8.190 nan 0.000 0.432 617 A N 7.577 130.145 122.820 -0.420 0.000 2.431 617 A HA 0.861 5.181 4.320 0.000 0.000 0.318 617 A C -2.806 174.637 177.584 -0.236 0.000 1.330 617 A CA -1.747 50.124 52.037 -0.276 0.000 0.804 617 A CB 0.853 19.677 19.000 -0.293 0.000 1.135 617 A HN 0.752 nan 8.150 nan 0.000 0.483 618 P HA 0.226 nan 4.420 nan 0.000 0.270 618 P C -0.355 176.659 177.300 -0.476 0.000 1.223 618 P CA -0.066 62.796 63.100 -0.397 0.000 0.785 618 P CB 0.790 32.074 31.700 -0.694 0.000 0.923 619 V N 2.565 122.198 119.914 -0.469 0.000 2.435 619 V HA 0.262 4.382 4.120 0.000 0.000 0.290 619 V C 0.156 175.928 176.094 -0.537 0.000 1.030 619 V CA 0.153 62.263 62.300 -0.317 0.000 0.881 619 V CB 0.621 32.356 31.823 -0.146 0.000 0.983 619 V HN 0.448 nan 8.190 nan 0.000 0.445 620 F N 2.202 121.985 119.950 -0.279 0.000 2.735 620 F HA 0.266 4.793 4.527 0.000 0.000 0.304 620 F C 1.013 176.245 175.800 -0.947 0.000 1.119 620 F CA -0.260 57.419 58.000 -0.535 0.000 1.280 620 F CB 0.771 39.636 39.000 -0.226 0.000 0.994 620 F HN 0.562 nan 8.300 nan 0.000 0.520 621 T N -4.443 109.734 114.554 -0.629 0.000 2.906 621 T HA 0.291 4.641 4.350 0.000 0.000 0.295 621 T C 0.800 175.383 174.700 -0.195 0.000 1.061 621 T CA -0.655 61.203 62.100 -0.402 0.000 1.000 621 T CB 2.409 71.214 68.868 -0.105 0.000 1.103 621 T HN 0.166 nan 8.240 nan 0.000 0.486 622 E N 1.119 121.372 120.200 0.089 0.000 2.051 622 E HA -0.141 4.209 4.350 0.000 0.000 0.192 622 E C 2.237 178.846 176.600 0.015 0.000 0.991 622 E CA 1.358 57.826 56.400 0.113 0.000 0.799 622 E CB -0.411 29.182 29.700 -0.180 0.000 0.748 622 E HN 0.825 nan 8.360 nan 0.000 0.449 623 A N -0.190 122.620 122.820 -0.017 0.000 2.067 623 A HA 0.024 4.344 4.320 0.000 0.000 0.219 623 A C 1.841 179.379 177.584 -0.078 0.000 1.158 623 A CA 1.536 53.550 52.037 -0.039 0.000 0.661 623 A CB -0.473 18.520 19.000 -0.011 0.000 0.801 623 A HN 0.551 nan 8.150 nan 0.000 0.452 624 G N -1.078 107.678 108.800 -0.074 0.000 2.163 624 G HA2 -0.161 3.799 3.960 0.000 0.000 0.213 624 G HA3 -0.161 3.799 3.960 0.000 0.000 0.213 624 G C -0.396 174.523 174.900 0.031 0.000 0.991 624 G CA 0.083 45.146 45.100 -0.061 0.000 0.653 624 G HN 0.509 nan 8.290 nan 0.000 0.518 625 D N 0.137 120.555 120.400 0.029 0.000 2.389 625 D HA 0.463 5.103 4.640 0.000 0.000 0.247 625 D C -0.125 176.238 176.300 0.105 0.000 1.128 625 D CA 0.492 54.537 54.000 0.074 0.000 0.884 625 D CB 2.506 43.334 40.800 0.047 0.000 1.194 625 D HN 0.351 nan 8.370 nan 0.000 0.441 626 V N 2.055 122.076 119.914 0.178 0.000 2.891 626 V HA 0.192 4.312 4.120 0.000 0.000 0.304 626 V C -1.574 174.712 176.094 0.320 0.000 1.171 626 V CA -0.566 61.875 62.300 0.234 0.000 0.943 626 V CB 2.277 34.224 31.823 0.207 0.000 1.037 626 V HN 0.460 nan 8.190 nan 0.000 0.427 627 Q N 5.175 125.174 119.800 0.332 0.000 2.342 627 Q HA 0.769 5.109 4.340 0.000 0.000 0.267 627 Q C -1.535 174.795 176.000 0.550 0.000 1.038 627 Q CA -0.535 55.481 55.803 0.355 0.000 0.832 627 Q CB 2.719 31.611 28.738 0.256 0.000 1.323 627 Q HN 0.738 nan 8.270 nan 0.000 0.448 628 F N -0.914 119.229 119.950 0.322 0.000 2.654 628 F HA 0.494 5.021 4.527 0.000 0.000 0.308 628 F C -1.886 173.631 175.800 -0.471 0.000 1.108 628 F CA -1.367 56.588 58.000 -0.075 0.000 0.957 628 F CB 0.842 39.776 39.000 -0.111 0.000 1.309 628 F HN 0.456 nan 8.300 nan 0.000 0.446 629 Y N 3.233 122.887 120.300 -1.077 0.000 2.323 629 Y HA 0.732 5.282 4.550 0.000 0.000 0.331 629 Y C -1.638 173.869 175.900 -0.655 0.000 1.092 629 Y CA -1.181 56.173 58.100 -1.243 0.000 1.150 629 Y CB 1.290 38.794 38.460 -1.594 0.000 1.200 629 Y HN 0.729 nan 8.280 nan 0.000 0.472 630 L N 9.103 129.462 121.223 -1.440 0.000 2.322 630 L HA 0.572 4.912 4.340 0.000 0.000 0.281 630 L C -2.263 173.694 176.870 -1.523 0.000 1.014 630 L CA -2.854 51.169 54.840 -1.361 0.000 0.815 630 L CB 1.437 42.866 42.059 -1.049 0.000 1.247 630 L HN 0.603 nan 8.230 nan 0.000 0.421 631 P HA 0.062 nan 4.420 nan 0.000 0.275 631 P C -0.741 176.502 177.300 -0.095 0.000 1.270 631 P CA -0.537 62.242 63.100 -0.534 0.000 0.791 631 P CB 0.450 31.532 31.700 -1.029 0.000 1.089 632 E N -0.204 119.990 120.200 -0.010 0.000 2.442 632 E HA 0.359 4.709 4.350 0.000 0.000 0.262 632 E C 0.194 176.860 176.600 0.111 0.000 1.004 632 E CA 0.633 57.072 56.400 0.065 0.000 0.928 632 E CB -0.498 29.242 29.700 0.066 0.000 0.937 632 E HN 0.660 nan 8.360 nan 0.000 0.446 633 G N 2.854 111.702 108.800 0.079 0.000 2.354 633 G HA2 -0.092 3.868 3.960 0.000 0.000 0.582 633 G HA3 -0.092 3.868 3.960 0.000 0.000 0.582 633 G C -1.297 173.625 174.900 0.038 0.000 1.316 633 G CA -0.649 44.432 45.100 -0.031 0.000 0.995 633 G HN 0.619 nan 8.290 nan 0.000 0.573 634 R N -0.031 120.429 120.500 -0.066 0.000 2.239 634 R HA 0.509 4.849 4.340 0.000 0.000 0.332 634 R C -0.647 175.651 176.300 -0.003 0.000 0.988 634 R CA -0.690 55.430 56.100 0.033 0.000 0.859 634 R CB 0.353 30.665 30.300 0.020 0.000 1.148 634 R HN 0.453 nan 8.270 nan 0.000 0.482 635 W N 2.181 123.462 121.300 -0.031 0.000 2.303 635 W HA 0.323 4.983 4.660 0.000 0.000 0.334 635 W C 0.072 176.682 176.519 0.153 0.000 1.197 635 W CA -0.156 57.201 57.345 0.020 0.000 1.262 635 W CB 1.384 30.812 29.460 -0.052 0.000 1.153 635 W HN 0.299 nan 8.180 nan 0.000 0.596 636 T N 1.691 116.515 114.554 0.450 0.000 2.848 636 T HA 0.087 4.437 4.350 0.000 0.000 0.285 636 T C -0.719 174.142 174.700 0.268 0.000 0.995 636 T CA -0.663 61.692 62.100 0.424 0.000 0.970 636 T CB 0.913 70.076 68.868 0.490 0.000 0.976 636 T HN 0.283 nan 8.240 nan 0.000 0.441 637 H N 3.309 122.386 119.070 0.013 0.000 2.929 637 H HA 0.062 4.618 4.556 0.000 0.000 0.317 637 H C 0.997 176.136 175.328 -0.315 0.000 1.031 637 H CA -0.426 55.280 56.048 -0.570 0.000 1.466 637 H CB 0.803 30.160 29.762 -0.676 0.000 1.482 637 H HN 0.517 nan 8.280 nan 0.000 0.561 638 L N 6.228 127.127 121.223 -0.539 0.000 2.051 638 L HA -0.221 4.119 4.340 0.000 0.000 0.214 638 L C 1.644 178.655 176.870 0.236 0.000 1.076 638 L CA 2.460 57.240 54.840 -0.101 0.000 0.758 638 L CB -0.518 41.500 42.059 -0.068 0.000 0.890 638 L HN 0.858 nan 8.230 nan 0.000 0.433 639 W N -5.339 116.117 121.300 0.259 0.000 2.413 639 W HA 0.296 4.956 4.660 0.000 0.000 0.288 639 W C 1.673 178.272 176.519 0.133 0.000 0.958 639 W CA -0.124 57.305 57.345 0.139 0.000 1.333 639 W CB -0.656 28.850 29.460 0.078 0.000 1.002 639 W HN -0.052 nan 8.180 nan 0.000 0.562 640 H N 1.012 119.860 119.070 -0.370 0.000 2.525 640 H HA 0.088 4.644 4.556 0.000 0.000 0.275 640 H C 0.888 176.162 175.328 -0.090 0.000 0.984 640 H CA 0.927 56.761 56.048 -0.358 0.000 1.264 640 H CB -0.249 29.049 29.762 -0.772 0.000 1.432 640 H HN 0.174 nan 8.280 nan 0.000 0.549 641 N N 0.965 119.747 118.700 0.136 0.000 2.900 641 N HA -0.175 4.565 4.740 0.000 0.000 0.240 641 N C -0.523 175.091 175.510 0.173 0.000 0.953 641 N CA 1.087 54.242 53.050 0.175 0.000 0.950 641 N CB -0.968 37.606 38.487 0.145 0.000 1.102 641 N HN 0.698 nan 8.380 nan 0.000 0.593 642 D N 0.110 120.612 120.400 0.171 0.000 2.357 642 D HA 0.110 4.750 4.640 0.000 0.000 0.242 642 D C -0.160 176.303 176.300 0.273 0.000 1.153 642 D CA 0.362 54.468 54.000 0.176 0.000 0.918 642 D CB 0.906 41.789 40.800 0.140 0.000 1.181 642 D HN 0.303 nan 8.370 nan 0.000 0.435 643 E N 0.132 120.449 120.200 0.196 0.000 2.227 643 E HA 0.607 4.957 4.350 0.000 0.000 0.268 643 E C -0.745 175.906 176.600 0.084 0.000 0.907 643 E CA -0.898 55.614 56.400 0.186 0.000 0.786 643 E CB 2.345 32.127 29.700 0.136 0.000 1.191 643 E HN 0.359 nan 8.360 nan 0.000 0.411 644 L N 1.707 122.946 121.223 0.027 0.000 2.455 644 L HA 0.369 4.709 4.340 0.000 0.000 0.264 644 L C -0.907 175.965 176.870 0.003 0.000 0.968 644 L CA -1.036 53.717 54.840 -0.145 0.000 0.827 644 L CB 2.157 43.845 42.059 -0.618 0.000 1.317 644 L HN 0.404 nan 8.230 nan 0.000 0.407 645 D N 1.465 121.896 120.400 0.051 0.000 2.302 645 D HA 0.369 5.009 4.640 0.000 0.000 0.248 645 D C 0.206 176.586 176.300 0.133 0.000 1.094 645 D CA 0.192 54.254 54.000 0.102 0.000 0.897 645 D CB 2.140 42.985 40.800 0.076 0.000 1.200 645 D HN 0.658 nan 8.370 nan 0.000 0.429 646 G N -0.647 108.219 108.800 0.110 0.000 2.583 646 G HA2 0.335 4.295 3.960 0.000 0.000 0.280 646 G HA3 0.335 4.295 3.960 0.000 0.000 0.280 646 G C 0.287 175.120 174.900 -0.113 0.000 1.376 646 G CA 0.053 45.157 45.100 0.006 0.000 1.043 646 G HN 0.558 nan 8.290 nan 0.000 0.538 647 S N -1.766 113.783 115.700 -0.251 0.000 3.561 647 S HA -0.186 4.284 4.470 0.000 0.000 0.318 647 S C 0.390 174.967 174.600 -0.038 0.000 1.181 647 S CA 1.900 60.047 58.200 -0.089 0.000 0.916 647 S CB -1.334 61.878 63.200 0.019 0.000 0.966 647 S HN 1.428 nan 8.310 nan 0.000 0.550 648 R N -1.652 118.663 120.500 -0.308 0.000 2.728 648 R HA 0.554 4.894 4.340 0.000 0.000 0.274 648 R C -1.285 174.768 176.300 -0.411 0.000 1.030 648 R CA -1.144 54.859 56.100 -0.161 0.000 0.876 648 R CB -0.058 30.113 30.300 -0.216 0.000 1.259 648 R HN 0.191 nan 8.270 nan 0.000 0.468 649 W N 0.975 122.086 121.300 -0.316 0.000 2.303 649 W HA 0.444 5.104 4.660 0.000 0.000 0.334 649 W C 0.321 176.364 176.519 -0.793 0.000 1.197 649 W CA 0.420 57.520 57.345 -0.409 0.000 1.262 649 W CB 0.875 30.222 29.460 -0.188 0.000 1.153 649 W HN 0.306 nan 8.180 nan 0.000 0.596 650 H N 1.426 120.276 119.070 -0.367 0.000 2.768 650 H HA 0.357 4.913 4.556 0.000 0.000 0.371 650 H C -1.081 174.015 175.328 -0.387 0.000 1.151 650 H CA -1.140 54.600 56.048 -0.513 0.000 1.165 650 H CB 2.464 31.657 29.762 -0.949 0.000 1.722 650 H HN 0.254 nan 8.280 nan 0.000 0.543 651 K N 2.039 122.414 120.400 -0.040 0.000 2.345 651 K HA 0.386 4.706 4.320 0.000 0.000 0.255 651 K C -1.047 175.622 176.600 0.115 0.000 0.934 651 K CA -0.432 55.885 56.287 0.050 0.000 0.801 651 K CB 1.730 34.249 32.500 0.032 0.000 1.137 651 K HN 0.616 nan 8.250 nan 0.000 0.424 652 Q N 1.481 121.412 119.800 0.218 0.000 2.501 652 Q HA 0.238 4.578 4.340 0.000 0.000 0.288 652 Q C -1.659 174.470 176.000 0.214 0.000 1.051 652 Q CA -1.091 54.859 55.803 0.245 0.000 0.788 652 Q CB 2.558 31.586 28.738 0.484 0.000 1.469 652 Q HN 0.412 nan 8.270 nan 0.000 0.416 653 Q N 1.570 121.419 119.800 0.083 0.000 2.330 653 Q HA 0.329 4.669 4.340 0.000 0.000 0.269 653 Q C -1.691 174.268 176.000 -0.067 0.000 1.022 653 Q CA -0.216 55.621 55.803 0.056 0.000 0.796 653 Q CB 1.289 30.023 28.738 -0.006 0.000 1.271 653 Q HN 0.714 nan 8.270 nan 0.000 0.450 654 H N 1.685 120.754 119.070 -0.002 0.000 2.538 654 H HA 0.422 4.978 4.556 0.000 0.000 0.353 654 H C 0.128 175.395 175.328 -0.101 0.000 1.109 654 H CA -0.566 55.479 56.048 -0.004 0.000 1.192 654 H CB 1.969 31.768 29.762 0.062 0.000 1.555 654 H HN 0.816 nan 8.280 nan 0.000 0.518 655 G N 0.643 109.439 108.800 -0.007 0.000 2.611 655 G HA2 0.078 4.038 3.960 0.000 0.000 0.273 655 G HA3 0.078 4.038 3.960 0.000 0.000 0.273 655 G C 0.188 175.053 174.900 -0.057 0.000 1.305 655 G CA -0.374 44.647 45.100 -0.131 0.000 1.010 655 G HN 0.500 nan 8.290 nan 0.000 0.509 656 F N -1.265 118.789 119.950 0.173 0.000 2.748 656 F HA 0.138 4.665 4.527 0.000 0.000 0.299 656 F C 2.066 178.010 175.800 0.240 0.000 1.154 656 F CA 0.074 58.196 58.000 0.203 0.000 1.446 656 F CB 0.117 39.234 39.000 0.196 0.000 1.112 656 F HN 0.089 nan 8.300 nan 0.000 0.584 657 L N -1.428 119.968 121.223 0.289 0.000 2.607 657 L HA 0.230 4.570 4.340 0.000 0.000 0.228 657 L C 0.601 177.578 176.870 0.178 0.000 1.123 657 L CA 0.256 55.130 54.840 0.056 0.000 0.890 657 L CB -0.414 41.505 42.059 -0.234 0.000 1.103 657 L HN -0.044 nan 8.230 nan 0.000 0.468 658 S N -0.596 115.384 115.700 0.467 0.000 2.627 658 S HA 0.891 5.361 4.470 0.000 0.000 0.283 658 S C -1.139 173.746 174.600 0.476 0.000 1.127 658 S CA -0.605 57.989 58.200 0.658 0.000 0.863 658 S CB 1.285 64.901 63.200 0.694 0.000 1.121 658 S HN 0.123 nan 8.310 nan 0.000 0.479 659 L N -0.672 120.726 121.223 0.292 0.000 2.940 659 L HA 0.705 5.045 4.340 0.000 0.000 0.270 659 L C -3.166 173.441 176.870 -0.438 0.000 1.030 659 L CA -2.322 52.319 54.840 -0.332 0.000 0.928 659 L CB 1.488 43.467 42.059 -0.132 0.000 1.506 659 L HN 0.338 nan 8.230 nan 0.000 0.405 660 P HA 0.187 nan 4.420 nan 0.000 0.264 660 P C -0.953 176.013 177.300 -0.557 0.000 1.229 660 P CA 0.149 62.928 63.100 -0.536 0.000 0.780 660 P CB 0.724 31.848 31.700 -0.961 0.000 0.808 661 V N 5.981 125.361 119.914 -0.890 0.000 2.385 661 V HA 0.284 4.404 4.120 0.000 0.000 0.277 661 V C -0.818 174.639 176.094 -1.061 0.000 1.012 661 V CA -0.513 61.325 62.300 -0.771 0.000 0.832 661 V CB 0.224 31.721 31.823 -0.544 0.000 1.028 661 V HN 0.372 nan 8.190 nan 0.000 0.436 662 Y N 2.524 122.565 120.300 -0.431 0.000 2.352 662 Y HA 0.653 5.203 4.550 0.000 0.000 0.339 662 Y C 0.155 176.100 175.900 0.075 0.000 0.992 662 Y CA -0.793 57.191 58.100 -0.194 0.000 1.100 662 Y CB 2.244 40.613 38.460 -0.153 0.000 1.192 662 Y HN 0.368 nan 8.280 nan 0.000 0.458 663 V N 4.780 124.736 119.914 0.070 0.000 2.472 663 V HA 0.433 4.553 4.120 0.000 0.000 0.290 663 V C 0.262 176.187 176.094 -0.282 0.000 1.037 663 V CA -1.240 60.900 62.300 -0.266 0.000 0.908 663 V CB 1.249 32.448 31.823 -1.039 0.000 0.985 663 V HN 0.716 nan 8.190 nan 0.000 0.454 664 R N 2.122 122.282 120.500 -0.567 0.000 2.784 664 R HA 0.160 4.500 4.340 0.000 0.000 0.266 664 R C -0.059 175.884 176.300 -0.594 0.000 1.044 664 R CA -0.380 55.071 56.100 -1.082 0.000 1.151 664 R CB 0.359 30.214 30.300 -0.741 0.000 1.037 664 R HN 0.936 nan 8.270 nan 0.000 0.478 665 D N 0.727 120.782 120.400 -0.575 0.000 2.377 665 D HA -0.042 4.598 4.640 0.000 0.000 0.245 665 D C -0.175 176.016 176.300 -0.180 0.000 1.196 665 D CA -0.440 53.401 54.000 -0.264 0.000 0.962 665 D CB 0.281 40.935 40.800 -0.243 0.000 1.127 665 D HN 0.475 nan 8.370 nan 0.000 0.471 666 N N -1.216 117.427 118.700 -0.095 0.000 2.735 666 N HA -0.149 4.591 4.740 0.000 0.000 0.248 666 N C -0.926 174.583 175.510 -0.001 0.000 1.083 666 N CA 0.974 53.994 53.050 -0.049 0.000 0.703 666 N CB -1.516 36.926 38.487 -0.074 0.000 1.005 666 N HN 0.550 nan 8.380 nan 0.000 0.550 667 T N 0.859 115.440 114.554 0.044 0.000 2.863 667 T HA 0.590 4.940 4.350 0.000 0.000 0.285 667 T C -0.208 174.609 174.700 0.196 0.000 1.009 667 T CA -0.578 61.562 62.100 0.067 0.000 0.989 667 T CB 2.372 71.216 68.868 -0.040 0.000 1.004 667 T HN 0.174 nan 8.240 nan 0.000 0.455 668 L N 4.187 125.507 121.223 0.161 0.000 2.343 668 L HA 0.751 5.091 4.340 0.000 0.000 0.278 668 L C -1.619 175.398 176.870 0.245 0.000 0.996 668 L CA -0.772 54.201 54.840 0.221 0.000 0.831 668 L CB 1.076 43.213 42.059 0.129 0.000 1.232 668 L HN 0.532 nan 8.230 nan 0.000 0.413 669 L N 4.690 126.109 121.223 0.327 0.000 2.334 669 L HA 0.902 5.242 4.340 0.000 0.000 0.276 669 L C -0.306 176.730 176.870 0.277 0.000 1.014 669 L CA -0.200 54.770 54.840 0.217 0.000 0.815 669 L CB 1.893 44.011 42.059 0.099 0.000 1.268 669 L HN 0.774 nan 8.230 nan 0.000 0.428 670 A N 4.904 127.823 122.820 0.164 0.000 2.249 670 A HA 0.669 4.989 4.320 0.000 0.000 0.314 670 A C -1.147 176.429 177.584 -0.013 0.000 1.290 670 A CA -0.463 51.545 52.037 -0.049 0.000 0.893 670 A CB 0.139 19.048 19.000 -0.153 0.000 1.165 670 A HN 0.495 nan 8.150 nan 0.000 0.530 671 L N 2.227 123.459 121.223 0.015 0.000 2.343 671 L HA 0.641 4.981 4.340 0.000 0.000 0.275 671 L C 1.090 177.999 176.870 0.065 0.000 1.056 671 L CA 0.063 54.934 54.840 0.052 0.000 0.804 671 L CB 1.276 43.387 42.059 0.086 0.000 1.203 671 L HN 0.763 nan 8.230 nan 0.000 0.440 672 G N 0.703 109.604 108.800 0.168 0.000 2.502 672 G HA2 0.335 4.295 3.960 0.000 0.000 0.305 672 G HA3 0.335 4.295 3.960 0.000 0.000 0.305 672 G C 0.353 175.370 174.900 0.196 0.000 1.190 672 G CA -0.405 44.903 45.100 0.348 0.000 0.933 672 G HN 0.750 nan 8.290 nan 0.000 0.503 673 N N -0.385 118.408 118.700 0.155 0.000 2.238 673 N HA 0.020 4.760 4.740 0.000 0.000 0.222 673 N C -0.297 175.094 175.510 -0.200 0.000 1.133 673 N CA -0.452 52.590 53.050 -0.012 0.000 0.854 673 N CB 0.388 38.886 38.487 0.018 0.000 1.041 673 N HN 0.310 nan 8.380 nan 0.000 0.510 674 N N 1.188 119.589 118.700 -0.499 0.000 2.354 674 N HA 0.108 4.848 4.740 0.000 0.000 0.287 674 N C -1.007 174.262 175.510 -0.401 0.000 1.016 674 N CA -0.291 52.364 53.050 -0.659 0.000 0.871 674 N CB 1.650 39.359 38.487 -1.297 0.000 1.299 674 N HN 0.177 nan 8.380 nan 0.000 0.482 675 D N 1.702 121.978 120.400 -0.207 0.000 2.501 675 D HA 0.088 4.728 4.640 0.000 0.000 0.224 675 D C 0.265 176.543 176.300 -0.038 0.000 1.202 675 D CA 0.255 54.194 54.000 -0.102 0.000 0.829 675 D CB 0.499 41.236 40.800 -0.104 0.000 1.023 675 D HN 0.311 nan 8.370 nan 0.000 0.499 676 Q N 0.333 120.108 119.800 -0.040 0.000 2.378 676 Q HA 0.205 4.545 4.340 0.000 0.000 0.229 676 Q C 0.511 176.638 176.000 0.213 0.000 0.882 676 Q CA 0.522 56.359 55.803 0.057 0.000 0.936 676 Q CB 1.361 30.101 28.738 0.003 0.000 1.092 676 Q HN 0.529 nan 8.270 nan 0.000 0.535 677 R N -0.854 119.716 120.500 0.117 0.000 2.739 677 R HA 0.409 4.749 4.340 0.000 0.000 0.271 677 R C -2.545 173.849 176.300 0.158 0.000 1.010 677 R CA -1.457 54.702 56.100 0.098 0.000 0.897 677 R CB 1.104 31.493 30.300 0.148 0.000 1.236 677 R HN -0.309 nan 8.270 nan 0.000 0.466 678 P HA -0.048 nan 4.420 nan 0.000 0.220 678 P C -0.624 176.916 177.300 0.399 0.000 1.154 678 P CA 0.965 64.212 63.100 0.245 0.000 0.830 678 P CB -0.027 31.753 31.700 0.133 0.000 0.803 679 D N 0.875 121.430 120.400 0.259 0.000 2.428 679 D HA 0.215 4.855 4.640 0.000 0.000 0.221 679 D C -0.105 176.186 176.300 -0.014 0.000 1.123 679 D CA -0.788 53.239 54.000 0.046 0.000 0.869 679 D CB -0.100 40.730 40.800 0.049 0.000 1.032 679 D HN 0.279 nan 8.370 nan 0.000 0.506 680 Y N -1.264 118.768 120.300 -0.447 0.000 2.764 680 Y HA 0.440 4.990 4.550 0.000 0.000 0.331 680 Y C -1.150 174.261 175.900 -0.815 0.000 1.280 680 Y CA -1.803 56.031 58.100 -0.444 0.000 1.065 680 Y CB 0.980 39.337 38.460 -0.172 0.000 1.319 680 Y HN 0.024 nan 8.280 nan 0.000 0.453 681 V N 3.860 123.583 119.914 -0.320 0.000 2.326 681 V HA 0.059 4.179 4.120 0.000 0.000 0.249 681 V C -0.081 175.817 176.094 -0.326 0.000 1.114 681 V CA -0.322 61.710 62.300 -0.447 0.000 1.028 681 V CB -0.762 30.865 31.823 -0.327 0.000 1.170 681 V HN 0.830 nan 8.190 nan 0.000 0.494 682 W N 4.605 125.750 121.300 -0.258 0.000 2.425 682 W HA -0.094 4.566 4.660 0.000 0.000 0.277 682 W C 2.150 178.630 176.519 -0.066 0.000 1.231 682 W CA 1.465 58.676 57.345 -0.224 0.000 1.248 682 W CB -0.784 28.532 29.460 -0.239 0.000 1.117 682 W HN 0.964 nan 8.180 nan 0.000 0.568 683 H N -0.806 118.364 119.070 0.167 0.000 2.547 683 H HA 0.243 4.799 4.556 0.000 0.000 0.266 683 H C -0.526 174.843 175.328 0.069 0.000 0.988 683 H CA 0.450 56.565 56.048 0.111 0.000 1.147 683 H CB -0.337 29.485 29.762 0.099 0.000 1.365 683 H HN 0.106 nan 8.280 nan 0.000 0.589 684 E N 0.267 120.347 120.200 -0.200 0.000 2.145 684 E HA 0.391 4.741 4.350 0.000 0.000 0.270 684 E C 0.155 176.774 176.600 0.031 0.000 0.906 684 E CA -0.220 56.134 56.400 -0.075 0.000 0.761 684 E CB 1.587 31.195 29.700 -0.153 0.000 1.116 684 E HN 0.512 nan 8.360 nan 0.000 0.408 685 G N 2.969 111.820 108.800 0.085 0.000 2.175 685 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 685 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 685 G C 0.459 175.423 174.900 0.106 0.000 0.982 685 G CA 0.083 45.235 45.100 0.087 0.000 0.641 685 G HN 0.535 nan 8.290 nan 0.000 0.527 686 T N 1.213 115.829 114.554 0.102 0.000 2.867 686 T HA 0.380 4.730 4.350 0.000 0.000 0.290 686 T C 0.618 175.286 174.700 -0.054 0.000 1.025 686 T CA 0.918 62.987 62.100 -0.052 0.000 1.146 686 T CB 1.298 70.027 68.868 -0.232 0.000 1.024 686 T HN 1.604 nan 8.240 nan 0.000 0.519 687 A N 3.780 126.536 122.820 -0.107 0.000 2.267 687 A HA 0.659 4.979 4.320 0.000 0.000 0.315 687 A C -0.403 177.130 177.584 -0.085 0.000 1.297 687 A CA -0.752 51.279 52.037 -0.010 0.000 0.865 687 A CB 0.098 19.166 19.000 0.113 0.000 1.165 687 A HN 0.680 nan 8.150 nan 0.000 0.513 688 F N 1.882 121.895 119.950 0.104 0.000 2.379 688 F HA 0.430 4.957 4.527 0.000 0.000 0.332 688 F C 0.923 176.650 175.800 -0.122 0.000 1.096 688 F CA 0.366 58.424 58.000 0.096 0.000 1.105 688 F CB 1.206 40.256 39.000 0.084 0.000 1.189 688 F HN 0.499 nan 8.300 nan 0.000 0.515 689 H N 3.167 122.393 119.070 0.260 0.000 2.667 689 H HA 0.399 4.955 4.556 0.000 0.000 0.353 689 H C -1.411 173.928 175.328 0.018 0.000 1.072 689 H CA -0.841 55.240 56.048 0.055 0.000 1.214 689 H CB 2.548 32.332 29.762 0.037 0.000 1.600 689 H HN 0.392 nan 8.280 nan 0.000 0.527 690 L N 4.038 125.203 121.223 -0.096 0.000 2.313 690 L HA 0.402 4.742 4.340 0.000 0.000 0.283 690 L C -1.430 175.312 176.870 -0.214 0.000 1.013 690 L CA -0.321 54.505 54.840 -0.025 0.000 0.816 690 L CB 0.408 42.464 42.059 -0.005 0.000 1.236 690 L HN 0.367 nan 8.230 nan 0.000 0.419 691 F N 4.273 124.244 119.950 0.035 0.000 2.426 691 F HA 0.375 4.902 4.527 0.000 0.000 0.348 691 F C 0.680 176.461 175.800 -0.031 0.000 1.124 691 F CA -0.998 57.008 58.000 0.009 0.000 1.008 691 F CB 0.964 39.955 39.000 -0.014 0.000 1.139 691 F HN 0.503 nan 8.300 nan 0.000 0.452 692 N N 2.728 121.485 118.700 0.094 0.000 2.722 692 N HA -0.243 4.497 4.740 0.000 0.000 0.274 692 N C -0.496 175.001 175.510 -0.022 0.000 0.987 692 N CA 0.425 53.490 53.050 0.025 0.000 0.817 692 N CB -0.677 37.820 38.487 0.017 0.000 0.921 692 N HN 0.611 nan 8.380 nan 0.000 0.565 693 L N 0.666 121.885 121.223 -0.007 0.000 2.597 693 L HA -0.054 4.286 4.340 0.000 0.000 0.271 693 L C 1.054 177.895 176.870 -0.047 0.000 1.157 693 L CA 0.603 55.431 54.840 -0.020 0.000 0.928 693 L CB 0.173 42.241 42.059 0.014 0.000 1.216 693 L HN 0.351 nan 8.230 nan 0.000 0.481 694 Q N 2.322 122.038 119.800 -0.140 0.000 2.382 694 Q HA 0.061 4.401 4.340 0.000 0.000 0.229 694 Q C -0.308 175.720 176.000 0.048 0.000 1.006 694 Q CA -0.644 55.083 55.803 -0.128 0.000 0.916 694 Q CB 0.953 29.469 28.738 -0.370 0.000 1.235 694 Q HN 0.463 nan 8.270 nan 0.000 0.512 695 D N -0.067 120.380 120.400 0.078 0.000 2.450 695 D HA 0.101 4.741 4.640 0.000 0.000 0.247 695 D C 0.415 176.835 176.300 0.200 0.000 1.162 695 D CA 1.532 55.597 54.000 0.109 0.000 0.879 695 D CB 0.229 41.069 40.800 0.067 0.000 1.163 695 D HN 0.703 nan 8.370 nan 0.000 0.472 696 G N 3.156 112.033 108.800 0.127 0.000 2.182 696 G HA2 -0.196 3.764 3.960 0.000 0.000 0.248 696 G HA3 -0.196 3.764 3.960 0.000 0.000 0.248 696 G C 0.120 174.991 174.900 -0.048 0.000 1.042 696 G CA 0.162 45.288 45.100 0.043 0.000 0.775 696 G HN 0.733 nan 8.290 nan 0.000 0.501 697 H N -0.776 118.291 119.070 -0.005 0.000 2.855 697 H HA 0.661 5.217 4.556 0.000 0.000 0.363 697 H C -0.604 174.718 175.328 -0.011 0.000 1.185 697 H CA -0.631 55.412 56.048 -0.008 0.000 1.174 697 H CB 2.352 32.109 29.762 -0.008 0.000 1.857 697 H HN 0.315 nan 8.280 nan 0.000 0.565 698 E N 0.458 120.719 120.200 0.102 0.000 2.317 698 E HA 0.614 4.964 4.350 0.000 0.000 0.270 698 E C -1.726 174.904 176.600 0.050 0.000 0.885 698 E CA -0.957 55.471 56.400 0.046 0.000 0.760 698 E CB 2.434 32.136 29.700 0.002 0.000 1.227 698 E HN 0.686 nan 8.360 nan 0.000 0.434 699 A N 2.806 125.643 122.820 0.028 0.000 2.371 699 A HA 0.634 4.954 4.320 0.000 0.000 0.311 699 A C -1.350 176.231 177.584 -0.004 0.000 1.068 699 A CA -0.565 51.486 52.037 0.024 0.000 0.744 699 A CB 1.544 20.569 19.000 0.043 0.000 1.239 699 A HN 0.303 nan 8.150 nan 0.000 0.435 700 V N 1.136 121.048 119.914 -0.005 0.000 2.540 700 V HA 0.539 4.659 4.120 0.000 0.000 0.302 700 V C -0.537 175.555 176.094 -0.002 0.000 1.035 700 V CA -0.596 61.683 62.300 -0.034 0.000 0.873 700 V CB 1.449 33.247 31.823 -0.043 0.000 0.992 700 V HN 1.110 nan 8.190 nan 0.000 0.428 701 C N 4.945 124.232 119.300 -0.023 0.000 2.364 701 C HA 0.643 5.103 4.460 0.000 0.000 0.324 701 C C -0.233 174.776 174.990 0.033 0.000 1.234 701 C CA -0.362 58.697 59.018 0.068 0.000 1.417 701 C CB 0.305 28.161 27.740 0.193 0.000 2.101 701 C HN 0.992 nan 8.230 nan 0.000 0.466 702 E N 4.282 124.518 120.200 0.060 0.000 2.113 702 E HA 0.449 4.799 4.350 0.000 0.000 0.273 702 E C -0.831 175.840 176.600 0.118 0.000 0.924 702 E CA -0.430 55.997 56.400 0.045 0.000 0.764 702 E CB 1.885 31.589 29.700 0.007 0.000 1.104 702 E HN 0.591 nan 8.360 nan 0.000 0.406 703 V N 5.727 125.755 119.914 0.191 0.000 2.407 703 V HA 0.287 4.407 4.120 0.000 0.000 0.278 703 V C -1.943 174.281 176.094 0.217 0.000 1.037 703 V CA -1.743 60.702 62.300 0.242 0.000 0.900 703 V CB 0.993 33.057 31.823 0.403 0.000 0.983 703 V HN 0.594 nan 8.190 nan 0.000 0.459 704 P HA 0.479 nan 4.420 nan 0.000 0.282 704 P C -0.595 176.952 177.300 0.412 0.000 1.259 704 P CA -0.415 62.845 63.100 0.266 0.000 0.826 704 P CB 1.559 33.410 31.700 0.252 0.000 1.064 705 A N 1.470 124.469 122.820 0.299 0.000 2.240 705 A HA 0.537 4.857 4.320 0.000 0.000 0.292 705 A C 1.679 179.455 177.584 0.319 0.000 1.121 705 A CA 0.155 52.337 52.037 0.242 0.000 0.851 705 A CB -0.553 18.507 19.000 0.100 0.000 1.167 705 A HN 0.500 nan 8.150 nan 0.000 0.503 706 A N -0.379 122.485 122.820 0.073 0.000 2.070 706 A HA -0.103 4.217 4.320 0.000 0.000 0.220 706 A C 1.239 178.946 177.584 0.206 0.000 1.159 706 A CA 2.114 54.130 52.037 -0.034 0.000 0.656 706 A CB -0.636 18.255 19.000 -0.182 0.000 0.800 706 A HN 0.854 nan 8.150 nan 0.000 0.453 707 D N -3.087 117.444 120.400 0.218 0.000 2.349 707 D HA 0.317 4.957 4.640 0.000 0.000 0.214 707 D C 1.122 177.567 176.300 0.242 0.000 1.063 707 D CA 0.864 54.992 54.000 0.213 0.000 0.847 707 D CB -0.317 40.554 40.800 0.118 0.000 0.933 707 D HN 0.675 nan 8.370 nan 0.000 0.513 708 G N 0.180 109.181 108.800 0.334 0.000 2.217 708 G HA2 -0.287 3.673 3.960 0.000 0.000 0.246 708 G HA3 -0.287 3.673 3.960 0.000 0.000 0.246 708 G C 0.487 175.454 174.900 0.112 0.000 0.990 708 G CA 0.335 45.550 45.100 0.191 0.000 0.627 708 G HN 0.814 nan 8.290 nan 0.000 0.522 709 S N -0.432 115.336 115.700 0.114 0.000 2.614 709 S HA 0.622 5.092 4.470 0.000 0.000 0.265 709 S C 0.405 175.055 174.600 0.083 0.000 1.303 709 S CA -0.132 58.111 58.200 0.072 0.000 1.000 709 S CB 2.152 65.385 63.200 0.055 0.000 0.935 709 S HN 1.032 nan 8.310 nan 0.000 0.551 710 V N 2.521 122.466 119.914 0.053 0.000 2.427 710 V HA 0.203 4.323 4.120 0.000 0.000 0.268 710 V C 1.032 177.158 176.094 0.054 0.000 1.046 710 V CA -0.113 62.221 62.300 0.056 0.000 0.970 710 V CB 0.348 32.183 31.823 0.020 0.000 1.001 710 V HN 0.960 nan 8.190 nan 0.000 0.476 711 I N 4.389 125.007 120.570 0.080 0.000 3.035 711 I HA 0.286 4.456 4.170 0.000 0.000 0.271 711 I C 0.095 176.299 176.117 0.146 0.000 1.190 711 I CA 0.636 61.961 61.300 0.042 0.000 1.472 711 I CB 0.461 38.408 38.000 -0.088 0.000 1.116 711 I HN 0.553 nan 8.210 nan 0.000 0.443 712 F N -0.234 119.712 119.950 -0.007 0.000 2.615 712 F HA 0.431 4.958 4.527 0.000 0.000 0.312 712 F C -1.177 174.613 175.800 -0.017 0.000 1.119 712 F CA -0.486 57.508 58.000 -0.009 0.000 0.979 712 F CB 1.619 40.636 39.000 0.028 0.000 1.266 712 F HN -0.411 nan 8.300 nan 0.000 0.444 713 T N 6.725 120.777 114.554 -0.837 0.000 2.841 713 T HA 0.499 4.849 4.350 0.000 0.000 0.285 713 T C -1.414 172.663 174.700 -1.038 0.000 0.991 713 T CA -0.554 61.149 62.100 -0.661 0.000 0.966 713 T CB 1.408 70.061 68.868 -0.358 0.000 0.962 713 T HN 0.523 nan 8.240 nan 0.000 0.438 714 L N 3.972 124.731 121.223 -0.773 0.000 2.325 714 L HA 0.574 4.915 4.340 0.000 0.000 0.281 714 L C -0.515 176.127 176.870 -0.381 0.000 1.004 714 L CA -0.683 53.731 54.840 -0.710 0.000 0.823 714 L CB 1.407 42.907 42.059 -0.932 0.000 1.236 714 L HN 0.598 nan 8.230 nan 0.000 0.415 715 K N 3.555 123.786 120.400 -0.281 0.000 2.259 715 K HA 0.807 5.127 4.320 0.000 0.000 0.249 715 K C -0.936 175.600 176.600 -0.107 0.000 0.942 715 K CA -0.702 55.490 56.287 -0.158 0.000 0.816 715 K CB 2.588 35.014 32.500 -0.124 0.000 1.155 715 K HN 0.592 nan 8.250 nan 0.000 0.428 716 A N 1.350 124.134 122.820 -0.059 0.000 2.411 716 A HA 0.678 4.998 4.320 0.000 0.000 0.285 716 A C -1.292 176.290 177.584 -0.002 0.000 1.129 716 A CA -0.633 51.389 52.037 -0.025 0.000 0.736 716 A CB 1.231 20.223 19.000 -0.014 0.000 1.186 716 A HN 0.701 nan 8.150 nan 0.000 0.445 717 A N 2.552 125.373 122.820 0.001 0.000 2.342 717 A HA 0.833 5.153 4.320 0.000 0.000 0.323 717 A C -0.086 177.511 177.584 0.021 0.000 1.125 717 A CA -0.639 51.405 52.037 0.012 0.000 0.785 717 A CB 0.974 19.973 19.000 -0.002 0.000 1.221 717 A HN 0.804 nan 8.150 nan 0.000 0.463 718 R N 1.871 122.393 120.500 0.037 0.000 2.393 718 R HA 0.505 4.845 4.340 0.000 0.000 0.315 718 R C -0.189 176.133 176.300 0.037 0.000 0.952 718 R CA -0.177 55.946 56.100 0.038 0.000 0.842 718 R CB 1.652 31.982 30.300 0.049 0.000 1.163 718 R HN 0.775 nan 8.270 nan 0.000 0.450 719 T N 1.057 115.626 114.554 0.025 0.000 3.026 719 T HA 0.278 4.628 4.350 0.000 0.000 0.245 719 T C 0.656 175.368 174.700 0.019 0.000 1.004 719 T CA 0.955 63.066 62.100 0.018 0.000 1.069 719 T CB 0.536 69.410 68.868 0.010 0.000 1.005 719 T HN 0.778 nan 8.240 nan 0.000 0.472 720 G N 0.338 109.150 108.800 0.019 0.000 2.683 720 G HA2 0.155 4.115 3.960 0.000 0.000 0.149 720 G HA3 0.155 4.115 3.960 0.000 0.000 0.149 720 G C 0.313 175.224 174.900 0.019 0.000 1.467 720 G CA -0.082 45.029 45.100 0.019 0.000 0.806 720 G HN 0.220 nan 8.290 nan 0.000 0.709 721 N N 0.908 119.617 118.700 0.015 0.000 2.238 721 N HA 0.272 5.012 4.740 0.000 0.000 0.235 721 N C -0.779 174.739 175.510 0.013 0.000 1.209 721 N CA 0.101 53.160 53.050 0.014 0.000 0.879 721 N CB 1.428 39.922 38.487 0.012 0.000 1.136 721 N HN 0.162 nan 8.380 nan 0.000 0.517 722 T N 1.650 116.213 114.554 0.014 0.000 2.770 722 T HA 0.427 4.777 4.350 0.000 0.000 0.283 722 T C -0.136 174.573 174.700 0.016 0.000 0.988 722 T CA -0.484 61.624 62.100 0.014 0.000 0.957 722 T CB 1.459 70.334 68.868 0.012 0.000 0.930 722 T HN 0.061 nan 8.240 nan 0.000 0.443 723 I N 2.659 123.239 120.570 0.016 0.000 2.406 723 I HA 0.575 4.745 4.170 0.000 0.000 0.290 723 I C -0.919 175.208 176.117 0.018 0.000 0.999 723 I CA -0.392 60.918 61.300 0.018 0.000 1.124 723 I CB 1.660 39.671 38.000 0.019 0.000 1.289 723 I HN 0.435 nan 8.210 nan 0.000 0.441 724 T N 6.628 121.191 114.554 0.014 0.000 2.824 724 T HA 0.560 4.910 4.350 0.000 0.000 0.280 724 T C -0.390 174.316 174.700 0.010 0.000 0.995 724 T CA -0.440 61.669 62.100 0.014 0.000 1.009 724 T CB 2.022 70.894 68.868 0.008 0.000 0.955 724 T HN 0.434 nan 8.240 nan 0.000 0.452 725 V N 3.881 123.808 119.914 0.023 0.000 2.483 725 V HA 0.627 4.747 4.120 0.000 0.000 0.297 725 V C -0.185 175.929 176.094 0.034 0.000 1.027 725 V CA -0.805 61.509 62.300 0.025 0.000 0.855 725 V CB 1.749 33.619 31.823 0.078 0.000 0.995 725 V HN 1.133 nan 8.190 nan 0.000 0.424 726 T N 1.475 116.015 114.554 -0.022 0.000 2.886 726 T HA 0.813 5.163 4.350 0.000 0.000 0.292 726 T C -0.029 174.602 174.700 -0.114 0.000 1.012 726 T CA -0.662 61.426 62.100 -0.022 0.000 0.982 726 T CB 2.045 70.893 68.868 -0.034 0.000 1.018 726 T HN 0.889 nan 8.240 nan 0.000 0.451 727 G N 0.203 108.974 108.800 -0.049 0.000 2.481 727 G HA2 0.793 4.753 3.960 0.000 0.000 0.315 727 G HA3 0.793 4.753 3.960 0.000 0.000 0.315 727 G C -1.326 173.495 174.900 -0.131 0.000 1.231 727 G CA -1.079 43.890 45.100 -0.217 0.000 0.968 727 G HN 1.142 nan 8.290 nan 0.000 0.482 728 A N -0.011 122.598 122.820 -0.353 0.000 2.437 728 A HA 1.000 5.320 4.320 0.000 0.000 0.293 728 A C 0.321 177.894 177.584 -0.019 0.000 1.038 728 A CA 0.486 52.458 52.037 -0.108 0.000 0.708 728 A CB 1.182 20.102 19.000 -0.133 0.000 1.251 728 A HN 2.672 nan 8.150 nan 0.000 0.409 729 G N 0.749 109.653 108.800 0.173 0.000 2.428 729 G HA2 0.135 4.095 3.960 0.000 0.000 0.202 729 G HA3 0.135 4.095 3.960 0.000 0.000 0.202 729 G C -0.362 174.751 174.900 0.356 0.000 1.247 729 G CA -0.021 45.220 45.100 0.234 0.000 1.020 729 G HN 1.217 nan 8.290 nan 0.000 0.529 730 E N 0.345 120.692 120.200 0.245 0.000 2.156 730 E HA 0.637 4.987 4.350 0.000 0.000 0.279 730 E C -0.048 176.550 176.600 -0.003 0.000 0.965 730 E CA -0.121 56.344 56.400 0.108 0.000 0.789 730 E CB 1.096 30.797 29.700 0.001 0.000 1.098 730 E HN 1.727 nan 8.360 nan 0.000 0.397 731 A N 4.031 126.808 122.820 -0.072 0.000 2.594 731 A HA 0.574 4.894 4.320 0.000 0.000 0.296 731 A C -1.587 176.056 177.584 0.100 0.000 1.061 731 A CA -0.882 51.062 52.037 -0.153 0.000 0.689 731 A CB 1.600 19.920 19.000 -1.132 0.000 1.280 731 A HN 0.536 nan 8.150 nan 0.000 0.406 732 K N 1.141 121.642 120.400 0.168 0.000 2.375 732 K HA 0.596 4.916 4.320 0.000 0.000 0.249 732 K C -0.186 176.498 176.600 0.139 0.000 0.942 732 K CA -0.676 55.684 56.287 0.122 0.000 0.806 732 K CB 1.236 33.771 32.500 0.059 0.000 1.227 732 K HN 0.631 nan 8.250 nan 0.000 0.430 733 N N 1.485 120.194 118.700 0.014 0.000 2.701 733 N HA -0.207 4.533 4.740 0.000 0.000 0.252 733 N C -0.821 174.734 175.510 0.074 0.000 1.002 733 N CA 0.967 54.005 53.050 -0.021 0.000 0.758 733 N CB -0.821 37.662 38.487 -0.007 0.000 0.937 733 N HN 0.584 nan 8.380 nan 0.000 0.538 734 W N -0.869 120.466 121.300 0.058 0.000 2.332 734 W HA 0.692 5.352 4.660 0.000 0.000 0.351 734 W C -0.145 176.468 176.519 0.156 0.000 1.195 734 W CA -0.384 57.048 57.345 0.146 0.000 1.334 734 W CB 0.525 30.186 29.460 0.334 0.000 1.206 734 W HN -0.158 nan 8.180 nan 0.000 0.637 735 T N 2.507 117.430 114.554 0.614 0.000 2.883 735 T HA 0.485 4.835 4.350 0.000 0.000 0.296 735 T C -1.348 173.665 174.700 0.522 0.000 1.117 735 T CA -0.756 61.558 62.100 0.357 0.000 1.006 735 T CB 1.902 70.866 68.868 0.159 0.000 1.191 735 T HN 0.399 nan 8.240 nan 0.000 0.508 736 L N 2.361 123.762 121.223 0.298 0.000 2.446 736 L HA 0.544 4.884 4.340 0.000 0.000 0.268 736 L C -0.859 176.029 176.870 0.029 0.000 0.975 736 L CA -0.500 54.479 54.840 0.232 0.000 0.848 736 L CB 0.910 43.137 42.059 0.280 0.000 1.225 736 L HN 0.869 nan 8.230 nan 0.000 0.410 737 C N 6.493 125.711 119.300 -0.137 0.000 2.330 737 C HA 0.487 4.947 4.460 0.000 0.000 0.344 737 C C 0.355 175.270 174.990 -0.125 0.000 1.273 737 C CA -0.670 58.246 59.018 -0.170 0.000 1.879 737 C CB 0.074 27.624 27.740 -0.317 0.000 2.376 737 C HN 0.731 nan 8.230 nan 0.000 0.534 738 L N 7.942 129.123 121.223 -0.071 0.000 2.328 738 L HA 0.368 4.708 4.340 0.000 0.000 0.280 738 L C 0.641 177.460 176.870 -0.086 0.000 1.111 738 L CA -0.212 54.587 54.840 -0.068 0.000 0.909 738 L CB -0.316 41.725 42.059 -0.029 0.000 1.277 738 L HN 0.617 nan 8.230 nan 0.000 0.433 739 R N 3.681 124.078 120.500 -0.173 0.000 2.502 739 R HA -0.024 4.316 4.340 0.000 0.000 0.292 739 R C 0.611 176.868 176.300 -0.071 0.000 0.998 739 R CA 0.118 56.112 56.100 -0.176 0.000 1.056 739 R CB 0.046 30.071 30.300 -0.458 0.000 0.939 739 R HN 0.625 nan 8.270 nan 0.000 0.411 740 N N 0.104 118.795 118.700 -0.016 0.000 2.741 740 N HA -0.177 4.563 4.740 0.000 0.000 0.251 740 N C -1.012 174.502 175.510 0.008 0.000 1.112 740 N CA 0.872 53.931 53.050 0.015 0.000 0.750 740 N CB -0.630 37.879 38.487 0.037 0.000 1.119 740 N HN 0.233 nan 8.380 nan 0.000 0.561 741 V N 1.517 121.429 119.914 -0.003 0.000 2.304 741 V HA 0.180 4.300 4.120 0.000 0.000 0.278 741 V C 1.620 177.717 176.094 0.004 0.000 1.018 741 V CA -0.482 61.818 62.300 0.001 0.000 0.814 741 V CB 1.707 33.526 31.823 -0.006 0.000 1.021 741 V HN 0.024 nan 8.190 nan 0.000 0.440 742 V N 2.515 122.435 119.914 0.009 0.000 2.283 742 V HA 0.051 4.171 4.120 0.000 0.000 0.243 742 V C 0.940 177.039 176.094 0.009 0.000 1.039 742 V CA 1.167 63.474 62.300 0.011 0.000 1.016 742 V CB -0.367 31.464 31.823 0.014 0.000 0.650 742 V HN 0.706 nan 8.190 nan 0.000 0.449 743 K N -0.307 120.097 120.400 0.008 0.000 2.316 743 K HA 0.661 4.981 4.320 0.000 0.000 0.251 743 K C -1.847 174.756 176.600 0.006 0.000 0.934 743 K CA -0.478 55.813 56.287 0.007 0.000 0.802 743 K CB 2.745 35.249 32.500 0.008 0.000 1.171 743 K HN 0.057 nan 8.250 nan 0.000 0.426 744 V N 3.062 122.979 119.914 0.005 0.000 2.914 744 V HA 0.143 4.263 4.120 0.000 0.000 0.314 744 V C 0.826 176.923 176.094 0.005 0.000 1.084 744 V CA -0.645 61.658 62.300 0.006 0.000 0.963 744 V CB 1.829 33.656 31.823 0.006 0.000 1.025 744 V HN 1.028 nan 8.190 nan 0.000 0.432 745 N N 2.210 120.913 118.700 0.006 0.000 2.188 745 N HA 0.146 4.886 4.740 0.000 0.000 0.184 745 N C 0.399 175.912 175.510 0.005 0.000 1.018 745 N CA 1.319 54.373 53.050 0.006 0.000 0.858 745 N CB 0.096 38.587 38.487 0.006 0.000 0.989 745 N HN 0.902 nan 8.380 nan 0.000 0.426 746 G N -0.981 107.823 108.800 0.005 0.000 2.523 746 G HA2 0.477 4.437 3.960 0.000 0.000 0.291 746 G HA3 0.477 4.437 3.960 0.000 0.000 0.291 746 G C -2.233 172.670 174.900 0.005 0.000 1.450 746 G CA -0.682 44.421 45.100 0.004 0.000 0.790 746 G HN 0.102 nan 8.290 nan 0.000 0.496 747 L N 0.891 122.116 121.223 0.004 0.000 2.661 747 L HA 0.369 4.709 4.340 0.000 0.000 0.263 747 L C -1.038 175.834 176.870 0.002 0.000 0.956 747 L CA -0.744 54.098 54.840 0.004 0.000 0.918 747 L CB 1.921 43.980 42.059 0.001 0.000 1.280 747 L HN 0.588 nan 8.230 nan 0.000 0.416 748 Q N 3.123 122.926 119.800 0.005 0.000 2.314 748 Q HA 0.342 4.682 4.340 0.000 0.000 0.259 748 Q C -0.631 175.371 176.000 0.004 0.000 0.951 748 Q CA -0.487 55.318 55.803 0.004 0.000 0.909 748 Q CB 1.889 30.631 28.738 0.007 0.000 1.236 748 Q HN 0.619 nan 8.270 nan 0.000 0.444 749 D N 0.551 120.949 120.400 -0.003 0.000 3.110 749 D HA -0.106 4.534 4.640 0.000 0.000 0.214 749 D C -0.224 176.062 176.300 -0.023 0.000 1.112 749 D CA 1.661 55.656 54.000 -0.008 0.000 0.927 749 D CB -1.013 39.789 40.800 0.002 0.000 1.095 749 D HN 0.861 nan 8.370 nan 0.000 0.429 750 G N -1.204 107.581 108.800 -0.025 0.000 2.673 750 G HA2 0.573 4.533 3.960 0.000 0.000 0.292 750 G HA3 0.573 4.533 3.960 0.000 0.000 0.292 750 G C -0.447 174.432 174.900 -0.035 0.000 1.450 750 G CA -0.036 45.038 45.100 -0.044 0.000 0.837 750 G HN 0.381 nan 8.290 nan 0.000 0.505 751 S N -0.584 115.089 115.700 -0.045 0.000 2.632 751 S HA 0.695 5.165 4.470 0.000 0.000 0.271 751 S C -0.045 174.538 174.600 -0.027 0.000 1.260 751 S CA -0.557 57.623 58.200 -0.033 0.000 1.010 751 S CB 1.631 64.808 63.200 -0.037 0.000 0.965 751 S HN 1.041 nan 8.310 nan 0.000 0.534 752 Q N -0.001 119.789 119.800 -0.017 0.000 2.433 752 Q HA 0.798 5.138 4.340 0.000 0.000 0.279 752 Q C -1.486 174.510 176.000 -0.008 0.000 1.105 752 Q CA -1.534 54.263 55.803 -0.010 0.000 0.815 752 Q CB 2.097 30.832 28.738 -0.005 0.000 1.403 752 Q HN 1.032 nan 8.270 nan 0.000 0.435 753 A N 1.508 124.326 122.820 -0.003 0.000 2.540 753 A HA 0.408 4.728 4.320 0.000 0.000 0.297 753 A C -1.132 176.455 177.584 0.005 0.000 1.056 753 A CA -0.765 51.272 52.037 0.000 0.000 0.700 753 A CB 1.642 20.642 19.000 -0.001 0.000 1.280 753 A HN 0.802 nan 8.150 nan 0.000 0.398 754 E N 0.549 120.754 120.200 0.009 0.000 2.391 754 E HA 0.532 4.882 4.350 0.000 0.000 0.255 754 E C 0.318 176.930 176.600 0.020 0.000 1.187 754 E CA 0.594 57.002 56.400 0.013 0.000 0.941 754 E CB 0.925 30.633 29.700 0.014 0.000 1.010 754 E HN 0.946 nan 8.360 nan 0.000 0.458 755 S N -0.980 114.736 115.700 0.026 0.000 2.595 755 S HA 0.035 4.505 4.470 0.000 0.000 0.270 755 S C 0.636 175.263 174.600 0.045 0.000 1.145 755 S CA -0.554 57.669 58.200 0.038 0.000 0.825 755 S CB 1.019 64.246 63.200 0.044 0.000 1.107 755 S HN 0.673 nan 8.310 nan 0.000 0.461 756 E N 1.207 121.441 120.200 0.056 0.000 2.070 756 E HA -0.290 4.060 4.350 0.000 0.000 0.197 756 E C 1.484 178.126 176.600 0.070 0.000 1.004 756 E CA 1.669 58.108 56.400 0.064 0.000 0.805 756 E CB -0.534 29.213 29.700 0.078 0.000 0.744 756 E HN 0.753 nan 8.360 nan 0.000 0.451 757 Q N 0.649 120.499 119.800 0.083 0.000 2.389 757 Q HA 0.173 4.513 4.340 0.000 0.000 0.204 757 Q C 0.524 176.555 176.000 0.051 0.000 0.944 757 Q CA 0.544 56.400 55.803 0.088 0.000 0.908 757 Q CB 0.837 29.654 28.738 0.132 0.000 1.002 757 Q HN 0.409 nan 8.270 nan 0.000 0.493 758 G N 0.018 108.841 108.800 0.038 0.000 2.361 758 G HA2 -0.020 3.940 3.960 0.000 0.000 0.331 758 G HA3 -0.020 3.940 3.960 0.000 0.000 0.331 758 G C -1.940 172.965 174.900 0.008 0.000 1.324 758 G CA -1.154 43.955 45.100 0.015 0.000 0.984 758 G HN 0.025 nan 8.290 nan 0.000 0.586 759 L N 0.144 121.367 121.223 -0.001 0.000 2.455 759 L HA 0.542 4.882 4.340 0.000 0.000 0.272 759 L C 0.486 177.351 176.870 -0.008 0.000 1.174 759 L CA 0.006 54.846 54.840 -0.001 0.000 0.869 759 L CB 1.131 43.191 42.059 0.000 0.000 1.130 759 L HN 0.509 nan 8.230 nan 0.000 0.474 760 V N 6.121 126.033 119.914 -0.003 0.000 2.370 760 V HA 0.393 4.513 4.120 0.000 0.000 0.283 760 V C -0.160 175.934 176.094 0.001 0.000 1.023 760 V CA -0.647 61.650 62.300 -0.005 0.000 0.857 760 V CB 1.546 33.369 31.823 -0.000 0.000 0.985 760 V HN 0.489 nan 8.190 nan 0.000 0.443 761 V N 5.031 124.952 119.914 0.012 0.000 2.483 761 V HA 0.575 4.695 4.120 0.000 0.000 0.295 761 V C -0.134 175.954 176.094 -0.010 0.000 1.035 761 V CA -0.793 61.511 62.300 0.006 0.000 0.896 761 V CB 1.910 33.749 31.823 0.026 0.000 0.986 761 V HN 0.916 nan 8.190 nan 0.000 0.447 762 K N 7.216 127.578 120.400 -0.062 0.000 2.397 762 K HA 0.659 4.979 4.320 0.000 0.000 0.253 762 K C -2.906 173.571 176.600 -0.206 0.000 0.932 762 K CA -1.632 54.563 56.287 -0.152 0.000 0.795 762 K CB 2.660 35.085 32.500 -0.126 0.000 1.159 762 K HN 0.418 nan 8.250 nan 0.000 0.424 763 P HA 0.241 nan 4.420 nan 0.000 0.283 763 P C -1.630 175.529 177.300 -0.234 0.000 1.271 763 P CA -0.469 62.455 63.100 -0.295 0.000 0.841 763 P CB 1.261 32.683 31.700 -0.463 0.000 1.122 764 Q N 0.196 119.920 119.800 -0.127 0.000 2.296 764 Q HA 0.473 4.813 4.340 0.000 0.000 0.254 764 Q C 0.210 176.190 176.000 -0.034 0.000 0.936 764 Q CA -0.518 55.234 55.803 -0.085 0.000 0.834 764 Q CB 1.104 29.799 28.738 -0.071 0.000 1.340 764 Q HN 0.804 nan 8.270 nan 0.000 0.428 765 G N 2.902 111.696 108.800 -0.011 0.000 2.241 765 G HA2 -0.356 3.604 3.960 0.000 0.000 0.244 765 G HA3 -0.356 3.604 3.960 0.000 0.000 0.244 765 G C 0.474 175.398 174.900 0.040 0.000 0.998 765 G CA 0.075 45.184 45.100 0.015 0.000 0.621 765 G HN 0.796 nan 8.290 nan 0.000 0.519 766 N N -1.025 117.706 118.700 0.053 0.000 2.738 766 N HA -0.077 4.663 4.740 0.000 0.000 0.249 766 N C 0.641 176.190 175.510 0.066 0.000 1.047 766 N CA 1.963 55.069 53.050 0.092 0.000 0.707 766 N CB -1.282 37.297 38.487 0.153 0.000 0.937 766 N HN 1.838 nan 8.380 nan 0.000 0.545 767 A N 0.072 122.919 122.820 0.044 0.000 2.965 767 A HA 0.299 4.619 4.320 0.000 0.000 0.304 767 A C 0.432 178.036 177.584 0.034 0.000 1.214 767 A CA -0.472 51.586 52.037 0.034 0.000 0.977 767 A CB 0.212 19.226 19.000 0.023 0.000 1.127 767 A HN 0.341 nan 8.150 nan 0.000 0.572 768 L N 1.482 122.736 121.223 0.052 0.000 2.534 768 L HA 0.266 4.606 4.340 0.000 0.000 0.271 768 L C -0.618 176.278 176.870 0.044 0.000 1.178 768 L CA 1.521 56.392 54.840 0.053 0.000 0.907 768 L CB 0.107 42.223 42.059 0.095 0.000 1.164 768 L HN 0.338 nan 8.230 nan 0.000 0.482 769 T N 5.768 120.341 114.554 0.031 0.000 2.933 769 T HA 0.590 4.940 4.350 0.000 0.000 0.305 769 T C -0.623 174.089 174.700 0.021 0.000 1.092 769 T CA -0.386 61.728 62.100 0.024 0.000 1.008 769 T CB 1.989 70.867 68.868 0.018 0.000 1.102 769 T HN 0.358 nan 8.240 nan 0.000 0.469 770 I N 2.059 122.641 120.570 0.020 0.000 2.509 770 I HA 0.553 4.723 4.170 0.000 0.000 0.293 770 I C 0.181 176.306 176.117 0.013 0.000 1.020 770 I CA -0.439 60.871 61.300 0.016 0.000 1.088 770 I CB 2.340 40.351 38.000 0.019 0.000 1.267 770 I HN 0.584 nan 8.210 nan 0.000 0.430 771 T N 6.347 120.907 114.554 0.011 0.000 2.792 771 T HA 0.591 4.941 4.350 0.000 0.000 0.280 771 T C -0.551 174.154 174.700 0.009 0.000 0.990 771 T CA -0.647 61.459 62.100 0.010 0.000 0.960 771 T CB 0.500 69.373 68.868 0.009 0.000 0.939 771 T HN 0.194 nan 8.240 nan 0.000 0.439 772 L N 4.211 125.440 121.223 0.010 0.000 2.436 772 L HA 0.422 4.762 4.340 0.000 0.000 0.265 772 L C 1.658 178.534 176.870 0.008 0.000 1.168 772 L CA 0.145 54.990 54.840 0.009 0.000 0.815 772 L CB -0.432 41.633 42.059 0.010 0.000 1.109 772 L HN 1.081 nan 8.230 nan 0.000 0.462 773 H N 0.000 119.075 119.070 0.008 0.000 2.539 773 H HA 0.000 4.556 4.556 0.000 0.000 0.296 773 H CA 0.000 56.053 56.048 0.008 0.000 1.023 773 H CB 0.000 29.767 29.762 0.007 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496