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 1xdp_1_B DATA FIRST_RESID 2 DATA SEQUENCE GQEKLYIEKE LSWLSFNERV LQEAADKSNP LIERMRFLGI YSNNLDEFYK DATA SEQUENCE VRFAELKRRI IISEEQGSNS HSRHLLGKIQ SRVLKADQEF DGLYNELLLE DATA SEQUENCE MARNQIFLIN ERQLSVNQQN WLRHYFKQYL RQHITPILIN PDTDLVQFLK DATA SEQUENCE DDYTYLAVEI IRGDTIRYAL LEIPSDKVPR FVNLPPEAPR RRKPMILLDN DATA SEQUENCE ILRYCLDDIF KGFFDYDALN AYSMKMTRDA EYDLVHEMEA SLMELMSSSL DATA SEQUENCE KQRLTAEPVR FVYQRDMPNA LVEVLREKLT ISRYDSIVPG GRYHNFKDFI DATA SEQUENCE NFPNVGKANL VNKPLPRLRH IWFDKAQFRN GFDAIRERDV LLYYPYHTFE DATA SEQUENCE HVLELLRQAS FDPSVLAIKI NIYRVAKDSR IIDSMIHAAH NGKKVTVVVE DATA SEQUENCE LQARFDEEAN IHWAKRLTEA GVHVIFSAPG LKIHAKLFLI SRKENGEVVR DATA SEQUENCE YAHIGTGNFN EKTARLYTDY SLLTADARIT NEVRRVFNFI ENPYRPVTFD DATA SEQUENCE YLMVSPQNSR RLLYEMVDRE IANAQQGLPS GITLKLNNLV DKGLVDRLYA DATA SEQUENCE ASSSGVPVNL LVRGMCSLIP NLEGISDNIR AISIVDRYLE HDRVYIFENG DATA SEQUENCE GDKKVYLSSA DWMTRNIDYR IEVATPLLDP RLKQRVLDII DILFSDTVKA DATA SEQUENCE RYIDKELSNR YVPRGNRRKV RAQLAIYDYI KSLEQPE 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 2 G C 0.000 174.844 174.900 -0.094 0.000 0.946 2 G CA 0.000 45.042 45.100 -0.096 0.000 0.502 3 Q N -0.087 119.670 119.800 -0.072 0.000 2.313 3 Q HA 0.226 4.566 4.340 0.001 0.000 0.263 3 Q C 0.053 176.016 176.000 -0.063 0.000 0.820 3 Q CA 0.238 56.004 55.803 -0.063 0.000 0.974 3 Q CB 1.808 30.516 28.738 -0.050 0.000 1.156 3 Q HN 0.591 nan 8.270 nan 0.000 0.517 4 E N 1.311 121.468 120.200 -0.071 0.000 3.428 4 E HA 0.155 4.506 4.350 0.001 0.000 0.286 4 E C -1.425 175.119 176.600 -0.093 0.000 1.204 4 E CA -0.214 56.140 56.400 -0.076 0.000 1.015 4 E CB 0.924 30.575 29.700 -0.081 0.000 1.370 4 E HN 0.006 nan 8.360 nan 0.000 0.391 5 K N 1.384 121.739 120.400 -0.075 0.000 2.396 5 K HA -0.184 4.136 4.320 0.001 0.000 0.248 5 K C 0.750 177.271 176.600 -0.132 0.000 1.076 5 K CA 0.099 56.344 56.287 -0.069 0.000 1.162 5 K CB 0.401 32.888 32.500 -0.022 0.000 0.743 5 K HN 0.293 nan 8.250 nan 0.000 0.490 6 L N 5.159 126.236 121.223 -0.243 0.000 2.354 6 L HA 0.094 4.434 4.340 0.001 0.000 0.212 6 L C -0.298 176.271 176.870 -0.502 0.000 1.091 6 L CA 1.122 55.669 54.840 -0.487 0.000 0.828 6 L CB 0.228 41.836 42.059 -0.752 0.000 0.973 6 L HN 0.516 nan 8.230 nan 0.000 0.461 7 Y N -1.453 118.912 120.300 0.109 0.000 2.605 7 Y HA 0.552 5.103 4.550 0.001 0.000 0.343 7 Y C -0.269 175.685 175.900 0.090 0.000 1.036 7 Y CA -1.283 56.896 58.100 0.131 0.000 1.065 7 Y CB 1.272 39.804 38.460 0.121 0.000 1.288 7 Y HN -0.366 nan 8.280 nan 0.000 0.481 8 I N 1.835 122.563 120.570 0.263 0.000 2.460 8 I HA 0.243 4.413 4.170 0.001 0.000 0.298 8 I C -0.522 175.694 176.117 0.165 0.000 0.989 8 I CA -1.141 60.263 61.300 0.172 0.000 1.173 8 I CB 1.410 39.491 38.000 0.136 0.000 1.338 8 I HN 0.516 nan 8.210 nan 0.000 0.456 9 E N 5.674 125.961 120.200 0.144 0.000 2.415 9 E HA -0.050 4.300 4.350 0.001 0.000 0.263 9 E C 0.742 177.432 176.600 0.149 0.000 0.995 9 E CA -0.020 56.463 56.400 0.138 0.000 0.915 9 E CB 0.534 30.317 29.700 0.137 0.000 0.951 9 E HN 0.588 nan 8.360 nan 0.000 0.449 10 K N 2.767 123.250 120.400 0.139 0.000 2.063 10 K HA -0.237 4.083 4.320 0.001 0.000 0.208 10 K C 1.119 177.863 176.600 0.240 0.000 1.048 10 K CA 1.477 57.861 56.287 0.162 0.000 0.928 10 K CB -0.048 32.529 32.500 0.127 0.000 0.713 10 K HN 0.164 nan 8.250 nan 0.000 0.442 11 E N 1.435 121.783 120.200 0.246 0.000 2.058 11 E HA -0.103 4.247 4.350 0.001 0.000 0.194 11 E C 2.095 178.912 176.600 0.361 0.000 0.997 11 E CA 1.368 57.990 56.400 0.370 0.000 0.801 11 E CB -0.271 29.627 29.700 0.329 0.000 0.746 11 E HN 0.265 nan 8.360 nan 0.000 0.450 12 L N 0.083 121.455 121.223 0.248 0.000 2.046 12 L HA -0.156 4.184 4.340 0.001 0.000 0.208 12 L C 2.501 179.466 176.870 0.158 0.000 1.077 12 L CA 1.187 56.137 54.840 0.184 0.000 0.747 12 L CB -0.524 41.621 42.059 0.144 0.000 0.896 12 L HN 0.147 nan 8.230 nan 0.000 0.432 13 S N -0.904 114.897 115.700 0.168 0.000 2.399 13 S HA -0.236 4.235 4.470 0.001 0.000 0.231 13 S C 1.681 176.366 174.600 0.140 0.000 1.022 13 S CA 1.097 59.374 58.200 0.129 0.000 0.983 13 S CB -0.344 62.931 63.200 0.125 0.000 0.803 13 S HN 0.532 nan 8.310 nan 0.000 0.480 14 W N 1.681 123.025 121.300 0.073 0.000 2.363 14 W HA -0.010 4.650 4.660 0.001 0.000 0.296 14 W C 1.661 178.187 176.519 0.013 0.000 1.212 14 W CA 1.105 58.498 57.345 0.081 0.000 1.260 14 W CB -0.270 29.257 29.460 0.112 0.000 1.131 14 W HN 0.259 nan 8.180 nan 0.000 0.530 15 L N -0.203 121.095 121.223 0.125 0.000 2.141 15 L HA -0.202 4.138 4.340 0.001 0.000 0.209 15 L C 2.761 179.526 176.870 -0.175 0.000 1.094 15 L CA 1.495 56.282 54.840 -0.088 0.000 0.763 15 L CB -1.144 40.893 42.059 -0.036 0.000 0.908 15 L HN -0.028 nan 8.230 nan 0.000 0.437 16 S N -0.036 115.611 115.700 -0.089 0.000 2.382 16 S HA -0.227 4.244 4.470 0.001 0.000 0.228 16 S C 1.967 176.455 174.600 -0.186 0.000 1.027 16 S CA 1.225 59.367 58.200 -0.097 0.000 0.991 16 S CB -0.309 62.873 63.200 -0.030 0.000 0.823 16 S HN 0.451 nan 8.310 nan 0.000 0.469 17 F N 2.892 122.623 119.950 -0.366 0.000 2.113 17 F HA 0.018 4.546 4.527 0.001 0.000 0.297 17 F C 2.028 177.528 175.800 -0.500 0.000 1.103 17 F CA 1.953 59.683 58.000 -0.450 0.000 1.248 17 F CB -0.987 37.661 39.000 -0.587 0.000 0.999 17 F HN 0.251 nan 8.300 nan 0.000 0.475 18 N N 0.744 118.731 118.700 -1.188 0.000 2.289 18 N HA -0.210 4.530 4.740 0.001 0.000 0.184 18 N C 1.837 177.069 175.510 -0.464 0.000 1.016 18 N CA 1.372 53.789 53.050 -1.054 0.000 0.872 18 N CB -0.399 37.541 38.487 -0.911 0.000 0.973 18 N HN 0.631 nan 8.380 nan 0.000 0.433 19 E N -0.076 119.914 120.200 -0.350 0.000 2.110 19 E HA -0.118 4.233 4.350 0.001 0.000 0.193 19 E C 1.934 178.365 176.600 -0.282 0.000 0.988 19 E CA 0.684 56.969 56.400 -0.192 0.000 0.804 19 E CB 0.049 29.657 29.700 -0.153 0.000 0.745 19 E HN 0.279 nan 8.360 nan 0.000 0.458 20 R N -0.346 119.915 120.500 -0.399 0.000 2.152 20 R HA -0.099 4.241 4.340 0.001 0.000 0.232 20 R C 2.232 178.263 176.300 -0.449 0.000 1.117 20 R CA 0.933 56.792 56.100 -0.402 0.000 0.981 20 R CB 0.075 30.131 30.300 -0.407 0.000 0.870 20 R HN 0.105 nan 8.270 nan 0.000 0.451 21 V N 0.846 120.437 119.914 -0.538 0.000 2.379 21 V HA -0.207 3.913 4.120 0.001 0.000 0.245 21 V C 2.211 178.086 176.094 -0.365 0.000 1.044 21 V CA 1.366 63.385 62.300 -0.468 0.000 1.036 21 V CB -0.324 31.269 31.823 -0.383 0.000 0.664 21 V HN 0.358 nan 8.190 nan 0.000 0.453 22 L N -0.371 120.696 121.223 -0.261 0.000 2.079 22 L HA -0.261 4.079 4.340 0.001 0.000 0.210 22 L C 2.748 179.460 176.870 -0.263 0.000 1.081 22 L CA 1.685 56.342 54.840 -0.305 0.000 0.752 22 L CB -0.330 41.475 42.059 -0.422 0.000 0.896 22 L HN 0.429 nan 8.230 nan 0.000 0.433 23 Q N -0.653 118.999 119.800 -0.247 0.000 2.181 23 Q HA -0.237 4.104 4.340 0.001 0.000 0.205 23 Q C 1.943 177.825 176.000 -0.196 0.000 0.980 23 Q CA 1.285 56.991 55.803 -0.161 0.000 0.862 23 Q CB 0.003 28.681 28.738 -0.099 0.000 0.905 23 Q HN 0.468 nan 8.270 nan 0.000 0.429 24 E N 0.172 120.136 120.200 -0.393 0.000 2.150 24 E HA -0.108 4.242 4.350 0.001 0.000 0.193 24 E C 1.791 178.219 176.600 -0.286 0.000 0.985 24 E CA 0.975 57.043 56.400 -0.554 0.000 0.814 24 E CB -0.082 28.712 29.700 -1.510 0.000 0.752 24 E HN 0.345 nan 8.360 nan 0.000 0.466 25 A N 0.807 123.509 122.820 -0.196 0.000 2.066 25 A HA 0.097 4.417 4.320 0.001 0.000 0.218 25 A C 2.166 179.723 177.584 -0.045 0.000 1.157 25 A CA 1.406 53.451 52.037 0.014 0.000 0.670 25 A CB -0.067 18.937 19.000 0.007 0.000 0.804 25 A HN 0.206 nan 8.150 nan 0.000 0.453 26 A N -0.831 121.932 122.820 -0.095 0.000 2.220 26 A HA 0.184 4.505 4.320 0.001 0.000 0.211 26 A C 0.672 178.208 177.584 -0.080 0.000 1.176 26 A CA 0.374 52.356 52.037 -0.092 0.000 0.834 26 A CB -0.108 18.829 19.000 -0.104 0.000 0.868 26 A HN 0.318 nan 8.150 nan 0.000 0.488 27 D N 0.908 121.265 120.400 -0.072 0.000 2.359 27 D HA 0.101 4.741 4.640 0.001 0.000 0.250 27 D C 0.740 177.008 176.300 -0.052 0.000 1.264 27 D CA -0.049 53.909 54.000 -0.070 0.000 0.911 27 D CB 0.628 41.394 40.800 -0.057 0.000 1.056 27 D HN 0.007 nan 8.370 nan 0.000 0.499 28 K N 1.790 122.149 120.400 -0.069 0.000 2.442 28 K HA -0.110 4.211 4.320 0.001 0.000 0.198 28 K C 1.688 178.257 176.600 -0.050 0.000 1.044 28 K CA 0.494 56.745 56.287 -0.060 0.000 0.948 28 K CB -0.341 32.117 32.500 -0.070 0.000 0.762 28 K HN 0.457 nan 8.250 nan 0.000 0.472 29 S N 0.416 116.084 115.700 -0.053 0.000 2.489 29 S HA -0.020 4.450 4.470 0.001 0.000 0.228 29 S C 0.712 175.300 174.600 -0.021 0.000 0.995 29 S CA -0.131 58.043 58.200 -0.043 0.000 0.934 29 S CB -0.078 63.090 63.200 -0.052 0.000 0.771 29 S HN 0.126 nan 8.310 nan 0.000 0.522 30 N N 2.931 121.631 118.700 -0.000 0.000 2.515 30 N HA 0.452 5.192 4.740 0.001 0.000 0.279 30 N C -3.009 172.508 175.510 0.012 0.000 1.164 30 N CA -1.825 51.245 53.050 0.033 0.000 0.982 30 N CB 0.578 39.134 38.487 0.116 0.000 1.170 30 N HN 0.147 nan 8.380 nan 0.000 0.474 31 P HA -0.008 nan 4.420 nan 0.000 0.265 31 P C 1.158 178.448 177.300 -0.017 0.000 1.193 31 P CA -0.352 62.738 63.100 -0.018 0.000 0.765 31 P CB 0.622 32.305 31.700 -0.028 0.000 0.823 32 L N 5.416 126.619 121.223 -0.033 0.000 1.991 32 L HA -0.245 4.095 4.340 0.001 0.000 0.221 32 L C 1.733 178.574 176.870 -0.048 0.000 1.079 32 L CA 2.301 57.113 54.840 -0.046 0.000 0.778 32 L CB -1.008 41.013 42.059 -0.065 0.000 0.893 32 L HN 0.362 nan 8.230 nan 0.000 0.437 33 I N -0.337 120.211 120.570 -0.037 0.000 2.493 33 I HA -0.168 4.002 4.170 0.001 0.000 0.254 33 I C 2.457 178.553 176.117 -0.034 0.000 1.160 33 I CA 0.982 62.269 61.300 -0.022 0.000 1.445 33 I CB -1.420 36.599 38.000 0.032 0.000 1.086 33 I HN 0.420 nan 8.210 nan 0.000 0.433 34 E N 0.724 120.893 120.200 -0.051 0.000 2.106 34 E HA -0.151 4.199 4.350 0.001 0.000 0.192 34 E C 2.297 178.849 176.600 -0.079 0.000 0.984 34 E CA 0.711 57.033 56.400 -0.129 0.000 0.806 34 E CB -0.185 29.445 29.700 -0.117 0.000 0.750 34 E HN 0.484 nan 8.360 nan 0.000 0.458 35 R N -0.048 120.494 120.500 0.069 0.000 2.081 35 R HA -0.029 4.311 4.340 0.001 0.000 0.235 35 R C 2.413 178.789 176.300 0.126 0.000 1.131 35 R CA 1.066 57.278 56.100 0.186 0.000 0.960 35 R CB -0.130 30.219 30.300 0.081 0.000 0.856 35 R HN 0.138 nan 8.270 nan 0.000 0.436 36 M N 0.142 119.752 119.600 0.017 0.000 2.117 36 M HA -0.157 4.323 4.480 0.001 0.000 0.262 36 M C 2.014 178.400 176.300 0.144 0.000 1.065 36 M CA 1.677 56.981 55.300 0.008 0.000 1.114 36 M CB -0.608 31.840 32.600 -0.254 0.000 1.361 36 M HN 0.090 nan 8.290 nan 0.000 0.408 37 R N -1.375 119.172 120.500 0.080 0.000 2.148 37 R HA -0.065 4.275 4.340 0.001 0.000 0.227 37 R C 2.057 178.433 176.300 0.126 0.000 1.103 37 R CA 0.949 57.110 56.100 0.101 0.000 0.983 37 R CB -0.284 29.993 30.300 -0.037 0.000 0.874 37 R HN 0.292 nan 8.270 nan 0.000 0.451 38 F N 0.540 120.563 119.950 0.121 0.000 2.325 38 F HA -0.098 4.430 4.527 0.000 0.000 0.299 38 F C 1.976 177.877 175.800 0.169 0.000 1.090 38 F CA 0.522 58.588 58.000 0.110 0.000 1.392 38 F CB 0.083 39.109 39.000 0.044 0.000 1.053 38 F HN -0.023 nan 8.300 nan 0.000 0.521 39 L N -0.741 120.703 121.223 0.367 0.000 2.141 39 L HA -0.145 4.196 4.340 0.001 0.000 0.209 39 L C 2.671 179.804 176.870 0.438 0.000 1.094 39 L CA 1.229 56.311 54.840 0.404 0.000 0.763 39 L CB -1.200 40.991 42.059 0.221 0.000 0.908 39 L HN 0.208 nan 8.230 nan 0.000 0.437 40 G N 0.274 109.313 108.800 0.398 0.000 2.394 40 G HA2 -0.158 3.803 3.960 0.001 0.000 0.214 40 G HA3 -0.158 3.803 3.960 0.001 0.000 0.214 40 G C 1.584 176.666 174.900 0.304 0.000 1.176 40 G CA 0.348 45.678 45.100 0.383 0.000 0.786 40 G HN 0.231 nan 8.290 nan 0.000 0.533 41 I N -0.583 120.169 120.570 0.302 0.000 2.179 41 I HA -0.169 4.001 4.170 0.001 0.000 0.242 41 I C 2.455 178.715 176.117 0.238 0.000 1.088 41 I CA 1.276 62.738 61.300 0.269 0.000 1.357 41 I CB -0.352 37.843 38.000 0.325 0.000 1.051 41 I HN 0.236 nan 8.210 nan 0.000 0.409 42 Y N 1.785 122.162 120.300 0.129 0.000 2.081 42 Y HA -0.340 4.210 4.550 0.001 0.000 0.280 42 Y C 2.793 178.691 175.900 -0.003 0.000 1.163 42 Y CA 2.145 60.254 58.100 0.015 0.000 1.135 42 Y CB -0.365 38.086 38.460 -0.014 0.000 0.970 42 Y HN 0.060 nan 8.280 nan 0.000 0.498 43 S N 0.253 115.990 115.700 0.062 0.000 2.348 43 S HA -0.257 4.213 4.470 0.001 0.000 0.221 43 S C 1.796 176.399 174.600 0.006 0.000 1.033 43 S CA 1.548 59.714 58.200 -0.058 0.000 1.010 43 S CB -0.761 62.485 63.200 0.077 0.000 0.891 43 S HN 0.640 nan 8.310 nan 0.000 0.442 44 N N 1.959 120.719 118.700 0.100 0.000 2.149 44 N HA -0.117 4.623 4.740 0.001 0.000 0.188 44 N C 1.414 176.988 175.510 0.105 0.000 1.019 44 N CA 1.389 54.508 53.050 0.116 0.000 0.857 44 N CB -0.304 38.271 38.487 0.146 0.000 0.997 44 N HN 0.217 nan 8.380 nan 0.000 0.426 45 N N 0.119 118.889 118.700 0.117 0.000 2.120 45 N HA -0.128 4.612 4.740 0.001 0.000 0.188 45 N C 1.550 177.224 175.510 0.274 0.000 1.024 45 N CA 0.625 53.825 53.050 0.249 0.000 0.852 45 N CB -0.514 38.136 38.487 0.273 0.000 1.003 45 N HN 0.276 nan 8.380 nan 0.000 0.424 46 L N 1.723 122.987 121.223 0.069 0.000 2.056 46 L HA -0.106 4.234 4.340 0.001 0.000 0.207 46 L C 1.384 178.350 176.870 0.159 0.000 1.078 46 L CA 1.757 56.622 54.840 0.042 0.000 0.749 46 L CB -0.691 41.268 42.059 -0.168 0.000 0.901 46 L HN -0.004 nan 8.230 nan 0.000 0.433 47 D N -0.480 120.004 120.400 0.141 0.000 2.104 47 D HA -0.248 4.393 4.640 0.001 0.000 0.194 47 D C 2.073 178.454 176.300 0.136 0.000 0.994 47 D CA 1.509 55.613 54.000 0.175 0.000 0.830 47 D CB -0.042 40.838 40.800 0.134 0.000 0.959 47 D HN 0.448 nan 8.370 nan 0.000 0.452 48 E N -0.074 120.159 120.200 0.055 0.000 2.118 48 E HA -0.182 4.168 4.350 0.001 0.000 0.195 48 E C 1.906 178.451 176.600 -0.092 0.000 0.992 48 E CA 0.646 57.014 56.400 -0.053 0.000 0.804 48 E CB -0.501 29.142 29.700 -0.096 0.000 0.741 48 E HN 0.238 nan 8.360 nan 0.000 0.458 49 F N -0.185 119.551 119.950 -0.357 0.000 2.095 49 F HA -0.236 4.292 4.527 0.001 0.000 0.298 49 F C 1.652 177.192 175.800 -0.434 0.000 1.104 49 F CA 1.802 59.379 58.000 -0.704 0.000 1.232 49 F CB -0.584 37.769 39.000 -1.078 0.000 0.987 49 F HN 0.121 nan 8.300 nan 0.000 0.475 50 Y N 0.334 120.519 120.300 -0.192 0.000 2.153 50 Y HA -0.141 4.409 4.550 0.001 0.000 0.289 50 Y C 2.478 178.327 175.900 -0.085 0.000 1.127 50 Y CA 1.673 59.652 58.100 -0.202 0.000 1.131 50 Y CB -0.526 37.858 38.460 -0.126 0.000 0.995 50 Y HN -0.089 nan 8.280 nan 0.000 0.505 51 K N -0.594 119.891 120.400 0.142 0.000 2.160 51 K HA -0.160 4.160 4.320 0.001 0.000 0.206 51 K C 1.561 178.221 176.600 0.099 0.000 1.047 51 K CA 1.664 58.040 56.287 0.149 0.000 0.930 51 K CB -0.188 32.453 32.500 0.236 0.000 0.720 51 K HN 0.155 nan 8.250 nan 0.000 0.450 52 V N 0.004 119.917 119.914 -0.002 0.000 3.050 52 V HA -0.026 4.094 4.120 0.001 0.000 0.223 52 V C 1.928 177.937 176.094 -0.141 0.000 1.162 52 V CA 0.308 62.591 62.300 -0.029 0.000 1.247 52 V CB -0.315 31.501 31.823 -0.012 0.000 1.125 52 V HN 0.092 nan 8.190 nan 0.000 0.508 53 R N -0.320 119.993 120.500 -0.312 0.000 2.091 53 R HA -0.176 4.164 4.340 0.001 0.000 0.238 53 R C 2.207 178.250 176.300 -0.428 0.000 1.136 53 R CA 2.023 57.884 56.100 -0.398 0.000 0.959 53 R CB -0.735 29.219 30.300 -0.578 0.000 0.856 53 R HN 0.448 nan 8.270 nan 0.000 0.437 54 F N 1.591 121.075 119.950 -0.777 0.000 2.084 54 F HA -0.077 4.450 4.527 0.001 0.000 0.296 54 F C 2.541 178.205 175.800 -0.226 0.000 1.111 54 F CA 1.222 58.895 58.000 -0.545 0.000 1.224 54 F CB -0.535 38.154 39.000 -0.518 0.000 0.991 54 F HN 0.012 nan 8.300 nan 0.000 0.471 55 A N -0.371 122.436 122.820 -0.022 0.000 1.948 55 A HA -0.276 4.045 4.320 0.001 0.000 0.220 55 A C 2.204 179.749 177.584 -0.066 0.000 1.177 55 A CA 2.044 54.077 52.037 -0.008 0.000 0.636 55 A CB -1.013 18.021 19.000 0.057 0.000 0.815 55 A HN 0.542 nan 8.150 nan 0.000 0.449 56 E N -1.008 119.141 120.200 -0.085 0.000 2.110 56 E HA -0.179 4.172 4.350 0.001 0.000 0.193 56 E C 1.901 178.436 176.600 -0.107 0.000 0.988 56 E CA 1.211 57.575 56.400 -0.061 0.000 0.804 56 E CB -0.139 29.523 29.700 -0.065 0.000 0.745 56 E HN 0.531 nan 8.360 nan 0.000 0.458 57 L N 1.306 122.409 121.223 -0.199 0.000 2.072 57 L HA -0.119 4.221 4.340 0.001 0.000 0.205 57 L C 1.886 178.611 176.870 -0.242 0.000 1.079 57 L CA 1.722 56.424 54.840 -0.230 0.000 0.752 57 L CB -0.137 41.721 42.059 -0.335 0.000 0.906 57 L HN -0.104 nan 8.230 nan 0.000 0.436 58 K N -0.608 119.609 120.400 -0.305 0.000 2.152 58 K HA -0.170 4.150 4.320 0.001 0.000 0.206 58 K C 2.106 178.634 176.600 -0.121 0.000 1.048 58 K CA 1.668 57.824 56.287 -0.218 0.000 0.933 58 K CB -0.135 32.274 32.500 -0.153 0.000 0.721 58 K HN 0.397 nan 8.250 nan 0.000 0.447 59 R N 0.044 120.483 120.500 -0.102 0.000 2.161 59 R HA 0.037 4.377 4.340 0.001 0.000 0.213 59 R C 2.177 178.428 176.300 -0.082 0.000 1.055 59 R CA 0.486 56.531 56.100 -0.092 0.000 0.996 59 R CB -0.018 30.234 30.300 -0.080 0.000 0.901 59 R HN 0.133 nan 8.270 nan 0.000 0.456 60 R N 0.534 120.989 120.500 -0.075 0.000 2.115 60 R HA 0.031 4.371 4.340 0.001 0.000 0.226 60 R C 2.066 178.334 176.300 -0.054 0.000 1.100 60 R CA 1.002 57.068 56.100 -0.057 0.000 0.980 60 R CB -0.062 30.206 30.300 -0.054 0.000 0.875 60 R HN 0.216 nan 8.270 nan 0.000 0.445 61 I N 0.132 120.661 120.570 -0.067 0.000 2.584 61 I HA -0.167 4.003 4.170 0.001 0.000 0.255 61 I C 2.160 178.245 176.117 -0.053 0.000 1.145 61 I CA 0.807 62.075 61.300 -0.053 0.000 1.462 61 I CB -0.096 37.868 38.000 -0.060 0.000 1.102 61 I HN 0.088 nan 8.210 nan 0.000 0.433 62 I N 1.186 121.716 120.570 -0.067 0.000 2.142 62 I HA -0.307 3.864 4.170 0.001 0.000 0.240 62 I C 2.516 178.592 176.117 -0.069 0.000 1.078 62 I CA 1.821 63.078 61.300 -0.072 0.000 1.343 62 I CB -0.174 37.770 38.000 -0.094 0.000 1.046 62 I HN 0.140 nan 8.210 nan 0.000 0.405 63 I N -0.375 120.153 120.570 -0.069 0.000 2.208 63 I HA -0.320 3.850 4.170 0.001 0.000 0.245 63 I C 2.753 178.847 176.117 -0.038 0.000 1.097 63 I CA 1.243 62.510 61.300 -0.056 0.000 1.363 63 I CB -0.479 37.494 38.000 -0.045 0.000 1.051 63 I HN 0.184 nan 8.210 nan 0.000 0.413 64 S N 0.505 116.185 115.700 -0.034 0.000 2.343 64 S HA -0.215 4.256 4.470 0.001 0.000 0.219 64 S C 1.909 176.494 174.600 -0.025 0.000 1.033 64 S CA 1.657 59.843 58.200 -0.023 0.000 1.014 64 S CB -0.222 62.967 63.200 -0.018 0.000 0.915 64 S HN 0.438 nan 8.310 nan 0.000 0.435 65 E N 0.683 120.865 120.200 -0.030 0.000 2.153 65 E HA -0.154 4.196 4.350 0.001 0.000 0.194 65 E C 2.123 178.704 176.600 -0.031 0.000 0.988 65 E CA 0.694 57.076 56.400 -0.030 0.000 0.811 65 E CB -0.163 29.518 29.700 -0.033 0.000 0.746 65 E HN 0.509 nan 8.360 nan 0.000 0.466 66 E N 0.846 121.024 120.200 -0.037 0.000 2.095 66 E HA -0.303 4.047 4.350 0.001 0.000 0.212 66 E C 2.001 178.585 176.600 -0.028 0.000 1.044 66 E CA 1.749 58.127 56.400 -0.037 0.000 0.857 66 E CB -0.068 29.608 29.700 -0.040 0.000 0.764 66 E HN 0.277 nan 8.360 nan 0.000 0.462 67 Q N -1.016 118.771 119.800 -0.022 0.000 2.384 67 Q HA 0.148 4.488 4.340 0.001 0.000 0.207 67 Q C -0.377 175.614 176.000 -0.015 0.000 0.904 67 Q CA 0.549 56.342 55.803 -0.017 0.000 0.933 67 Q CB 0.938 29.669 28.738 -0.012 0.000 1.077 67 Q HN 0.292 nan 8.270 nan 0.000 0.522 68 G N 0.793 109.582 108.800 -0.018 0.000 3.101 68 G HA2 -0.062 3.898 3.960 0.001 0.000 0.672 68 G HA3 -0.062 3.898 3.960 0.001 0.000 0.672 68 G C -0.815 174.075 174.900 -0.016 0.000 1.331 68 G CA -0.291 44.799 45.100 -0.018 0.000 0.925 68 G HN 0.241 nan 8.290 nan 0.000 0.596 69 S N 1.210 116.898 115.700 -0.020 0.000 2.472 69 S HA 0.628 5.099 4.470 0.001 0.000 0.303 69 S C 0.730 175.314 174.600 -0.028 0.000 1.099 69 S CA -0.912 57.278 58.200 -0.017 0.000 1.077 69 S CB 2.037 65.228 63.200 -0.015 0.000 1.031 69 S HN 0.532 nan 8.310 nan 0.000 0.487 70 N N 1.406 120.096 118.700 -0.017 0.000 2.373 70 N HA 0.039 4.779 4.740 0.001 0.000 0.181 70 N C 0.661 176.151 175.510 -0.034 0.000 1.082 70 N CA 0.311 53.345 53.050 -0.028 0.000 0.885 70 N CB 0.278 38.767 38.487 0.005 0.000 0.977 70 N HN 0.817 nan 8.380 nan 0.000 0.462 71 S N 0.327 116.036 115.700 0.015 0.000 2.614 71 S HA 0.163 4.633 4.470 0.001 0.000 0.265 71 S C -0.014 174.618 174.600 0.053 0.000 1.303 71 S CA -0.368 57.897 58.200 0.108 0.000 1.000 71 S CB 0.452 63.716 63.200 0.107 0.000 0.935 71 S HN 0.175 nan 8.310 nan 0.000 0.551 72 H N 1.457 120.578 119.070 0.085 0.000 2.680 72 H HA 0.310 4.867 4.556 0.001 0.000 0.224 72 H C 1.563 176.995 175.328 0.173 0.000 1.866 72 H CA 0.171 56.325 56.048 0.178 0.000 1.302 72 H CB -0.540 29.321 29.762 0.164 0.000 1.709 72 H HN 0.799 nan 8.280 nan 0.000 0.537 73 S N 1.179 116.977 115.700 0.162 0.000 2.369 73 S HA -0.299 4.172 4.470 0.001 0.000 0.225 73 S C 2.194 176.856 174.600 0.103 0.000 1.043 73 S CA 0.882 59.142 58.200 0.100 0.000 1.074 73 S CB 0.164 63.384 63.200 0.034 0.000 0.962 73 S HN 0.353 nan 8.310 nan 0.000 0.433 74 R N 1.315 121.855 120.500 0.067 0.000 2.103 74 R HA -0.048 4.292 4.340 0.001 0.000 0.242 74 R C 2.253 178.552 176.300 -0.002 0.000 1.142 74 R CA 1.804 57.906 56.100 0.002 0.000 0.960 74 R CB -1.812 28.440 30.300 -0.080 0.000 0.858 74 R HN 0.713 nan 8.270 nan 0.000 0.439 75 H N -0.100 119.039 119.070 0.115 0.000 2.518 75 H HA -0.099 4.458 4.556 0.001 0.000 0.292 75 H C 1.836 177.226 175.328 0.103 0.000 1.068 75 H CA 1.127 57.242 56.048 0.111 0.000 1.275 75 H CB 0.077 29.916 29.762 0.127 0.000 1.375 75 H HN 0.060 nan 8.280 nan 0.000 0.563 76 L N 0.210 121.553 121.223 0.200 0.000 2.121 76 L HA -0.064 4.276 4.340 0.001 0.000 0.200 76 L C 2.090 179.060 176.870 0.167 0.000 1.077 76 L CA 0.908 55.848 54.840 0.167 0.000 0.766 76 L CB -0.614 41.529 42.059 0.139 0.000 0.931 76 L HN 0.032 nan 8.230 nan 0.000 0.452 77 L N 0.148 121.458 121.223 0.145 0.000 2.129 77 L HA -0.147 4.194 4.340 0.001 0.000 0.212 77 L C 2.501 179.486 176.870 0.191 0.000 1.087 77 L CA 1.871 56.828 54.840 0.196 0.000 0.757 77 L CB -2.453 39.694 42.059 0.147 0.000 0.896 77 L HN 0.497 nan 8.230 nan 0.000 0.434 78 G N -0.309 108.567 108.800 0.127 0.000 2.404 78 G HA2 -0.217 3.743 3.960 0.001 0.000 0.215 78 G HA3 -0.217 3.743 3.960 0.001 0.000 0.215 78 G C 1.768 176.740 174.900 0.121 0.000 1.174 78 G CA 0.249 45.410 45.100 0.101 0.000 0.780 78 G HN 0.306 nan 8.290 nan 0.000 0.537 79 K N 0.142 120.622 120.400 0.134 0.000 2.009 79 K HA -0.039 4.282 4.320 0.001 0.000 0.210 79 K C 2.473 179.162 176.600 0.147 0.000 1.049 79 K CA 1.139 57.504 56.287 0.130 0.000 0.929 79 K CB -0.413 32.167 32.500 0.134 0.000 0.714 79 K HN 0.332 nan 8.250 nan 0.000 0.440 80 I N 1.431 122.121 120.570 0.200 0.000 2.069 80 I HA -0.378 3.793 4.170 0.001 0.000 0.237 80 I C 2.951 179.189 176.117 0.202 0.000 1.053 80 I CA 1.592 63.041 61.300 0.249 0.000 1.311 80 I CB -0.475 37.778 38.000 0.421 0.000 1.030 80 I HN 0.330 nan 8.210 nan 0.000 0.398 81 Q N 0.344 120.270 119.800 0.210 0.000 2.152 81 Q HA -0.256 4.085 4.340 0.001 0.000 0.206 81 Q C 2.258 178.323 176.000 0.109 0.000 0.985 81 Q CA 2.245 58.140 55.803 0.153 0.000 0.863 81 Q CB -0.046 28.778 28.738 0.142 0.000 0.904 81 Q HN 0.494 nan 8.270 nan 0.000 0.422 82 S N 0.005 115.767 115.700 0.104 0.000 2.361 82 S HA -0.206 4.264 4.470 0.001 0.000 0.214 82 S C 1.813 176.455 174.600 0.070 0.000 1.034 82 S CA 1.492 59.739 58.200 0.078 0.000 1.025 82 S CB -0.159 63.087 63.200 0.077 0.000 0.996 82 S HN 0.406 nan 8.310 nan 0.000 0.422 83 R N 0.574 121.118 120.500 0.073 0.000 2.133 83 R HA -0.057 4.284 4.340 0.001 0.000 0.247 83 R C 2.222 178.555 176.300 0.055 0.000 1.151 83 R CA 1.488 57.622 56.100 0.056 0.000 0.971 83 R CB -1.317 29.015 30.300 0.054 0.000 0.866 83 R HN 0.381 nan 8.270 nan 0.000 0.447 84 V N 0.657 120.613 119.914 0.069 0.000 2.295 84 V HA -0.233 3.887 4.120 0.001 0.000 0.246 84 V C 2.185 178.322 176.094 0.072 0.000 1.049 84 V CA 1.867 64.212 62.300 0.075 0.000 1.024 84 V CB -0.431 31.464 31.823 0.119 0.000 0.648 84 V HN 0.253 nan 8.190 nan 0.000 0.447 85 L N -0.266 120.994 121.223 0.061 0.000 2.056 85 L HA -0.199 4.142 4.340 0.001 0.000 0.207 85 L C 2.569 179.462 176.870 0.039 0.000 1.078 85 L CA 1.897 56.764 54.840 0.044 0.000 0.749 85 L CB -0.636 41.444 42.059 0.035 0.000 0.901 85 L HN 0.318 nan 8.230 nan 0.000 0.433 86 K N 0.529 120.952 120.400 0.039 0.000 2.097 86 K HA -0.178 4.143 4.320 0.001 0.000 0.206 86 K C 2.122 178.737 176.600 0.025 0.000 1.049 86 K CA 1.340 57.644 56.287 0.028 0.000 0.933 86 K CB -0.054 32.461 32.500 0.025 0.000 0.717 86 K HN 0.263 nan 8.250 nan 0.000 0.442 87 A N 0.998 123.842 122.820 0.040 0.000 1.930 87 A HA -0.177 4.143 4.320 0.001 0.000 0.217 87 A C 1.774 179.391 177.584 0.054 0.000 1.175 87 A CA 1.903 53.966 52.037 0.042 0.000 0.627 87 A CB -0.644 18.424 19.000 0.114 0.000 0.815 87 A HN 0.550 nan 8.150 nan 0.000 0.443 88 D N -0.801 119.642 120.400 0.072 0.000 2.123 88 D HA -0.182 4.459 4.640 0.001 0.000 0.196 88 D C 2.122 178.472 176.300 0.082 0.000 0.992 88 D CA 1.491 55.536 54.000 0.075 0.000 0.833 88 D CB -0.044 40.784 40.800 0.046 0.000 0.954 88 D HN 0.391 nan 8.370 nan 0.000 0.455 89 Q N 0.187 120.014 119.800 0.045 0.000 2.061 89 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 89 Q C 2.242 178.250 176.000 0.013 0.000 0.984 89 Q CA 1.390 57.210 55.803 0.028 0.000 0.846 89 Q CB -0.346 28.400 28.738 0.014 0.000 0.902 89 Q HN 0.566 nan 8.270 nan 0.000 0.421 90 E N -0.011 120.188 120.200 -0.002 0.000 2.153 90 E HA -0.158 4.192 4.350 0.001 0.000 0.194 90 E C 1.707 178.270 176.600 -0.062 0.000 0.988 90 E CA 0.630 57.005 56.400 -0.042 0.000 0.811 90 E CB -0.228 29.433 29.700 -0.064 0.000 0.746 90 E HN 0.187 nan 8.360 nan 0.000 0.466 91 F N 2.434 122.256 119.950 -0.213 0.000 2.046 91 F HA -0.256 4.271 4.527 0.000 0.000 0.297 91 F C 1.837 177.522 175.800 -0.192 0.000 1.123 91 F CA 1.731 59.557 58.000 -0.289 0.000 1.199 91 F CB -0.204 38.602 39.000 -0.323 0.000 0.972 91 F HN -0.073 nan 8.300 nan 0.000 0.474 92 D N -0.009 120.334 120.400 -0.095 0.000 2.158 92 D HA -0.176 4.464 4.640 0.001 0.000 0.197 92 D C 2.408 178.656 176.300 -0.087 0.000 0.995 92 D CA 1.527 55.475 54.000 -0.087 0.000 0.846 92 D CB -0.848 39.970 40.800 0.030 0.000 0.941 92 D HN 0.487 nan 8.370 nan 0.000 0.456 93 G N 1.024 109.771 108.800 -0.089 0.000 2.446 93 G HA2 -0.213 3.747 3.960 0.001 0.000 0.217 93 G HA3 -0.213 3.747 3.960 0.001 0.000 0.217 93 G C 1.861 176.681 174.900 -0.134 0.000 1.168 93 G CA 0.232 45.279 45.100 -0.089 0.000 0.771 93 G HN 0.235 nan 8.290 nan 0.000 0.551 94 L N -1.025 120.083 121.223 -0.192 0.000 2.046 94 L HA -0.073 4.268 4.340 0.001 0.000 0.208 94 L C 2.573 179.303 176.870 -0.233 0.000 1.077 94 L CA 1.269 55.978 54.840 -0.219 0.000 0.747 94 L CB -0.473 41.429 42.059 -0.262 0.000 0.896 94 L HN 0.294 nan 8.230 nan 0.000 0.432 95 Y N 1.650 121.652 120.300 -0.497 0.000 2.030 95 Y HA -0.337 4.213 4.550 0.001 0.000 0.274 95 Y C 2.587 178.359 175.900 -0.212 0.000 1.153 95 Y CA 1.896 59.733 58.100 -0.437 0.000 1.115 95 Y CB -0.607 37.518 38.460 -0.558 0.000 0.969 95 Y HN 0.241 nan 8.280 nan 0.000 0.488 96 N N 0.588 119.134 118.700 -0.256 0.000 2.094 96 N HA -0.235 4.505 4.740 0.001 0.000 0.191 96 N C 1.943 177.315 175.510 -0.230 0.000 1.023 96 N CA 1.712 54.599 53.050 -0.271 0.000 0.857 96 N CB -0.595 37.825 38.487 -0.112 0.000 1.013 96 N HN 0.646 nan 8.380 nan 0.000 0.426 97 E N 0.895 120.986 120.200 -0.182 0.000 2.077 97 E HA -0.101 4.250 4.350 0.001 0.000 0.193 97 E C 1.971 178.468 176.600 -0.172 0.000 0.989 97 E CA 0.674 56.983 56.400 -0.152 0.000 0.800 97 E CB -0.001 29.621 29.700 -0.130 0.000 0.746 97 E HN 0.292 nan 8.360 nan 0.000 0.452 98 L N 0.534 121.635 121.223 -0.203 0.000 2.217 98 L HA -0.116 4.225 4.340 0.001 0.000 0.211 98 L C 2.435 179.162 176.870 -0.239 0.000 1.107 98 L CA 0.352 55.073 54.840 -0.199 0.000 0.783 98 L CB -0.187 41.766 42.059 -0.177 0.000 0.919 98 L HN 0.242 nan 8.230 nan 0.000 0.442 99 L N -0.579 120.457 121.223 -0.313 0.000 2.027 99 L HA -0.210 4.130 4.340 0.001 0.000 0.206 99 L C 2.487 179.224 176.870 -0.222 0.000 1.074 99 L CA 1.184 55.844 54.840 -0.300 0.000 0.745 99 L CB -0.368 41.464 42.059 -0.379 0.000 0.898 99 L HN 0.263 nan 8.230 nan 0.000 0.433 100 L N -0.356 120.753 121.223 -0.191 0.000 2.017 100 L HA -0.249 4.091 4.340 0.001 0.000 0.208 100 L C 2.541 179.313 176.870 -0.163 0.000 1.073 100 L CA 1.536 56.287 54.840 -0.149 0.000 0.745 100 L CB -0.555 41.434 42.059 -0.115 0.000 0.894 100 L HN 0.351 nan 8.230 nan 0.000 0.432 101 E N 0.135 120.240 120.200 -0.159 0.000 2.204 101 E HA -0.224 4.126 4.350 0.001 0.000 0.195 101 E C 2.319 178.811 176.600 -0.181 0.000 0.990 101 E CA 0.981 57.292 56.400 -0.149 0.000 0.821 101 E CB 0.051 29.674 29.700 -0.129 0.000 0.750 101 E HN 0.432 nan 8.360 nan 0.000 0.477 102 M N -0.284 119.187 119.600 -0.216 0.000 2.254 102 M HA -0.039 4.442 4.480 0.001 0.000 0.265 102 M C 2.352 178.408 176.300 -0.406 0.000 1.066 102 M CA 1.023 56.172 55.300 -0.251 0.000 1.123 102 M CB 0.033 32.500 32.600 -0.221 0.000 1.388 102 M HN 0.203 nan 8.290 nan 0.000 0.425 103 A N 0.948 123.498 122.820 -0.451 0.000 1.902 103 A HA -0.157 4.163 4.320 0.001 0.000 0.217 103 A C 2.077 179.372 177.584 -0.481 0.000 1.181 103 A CA 1.451 53.058 52.037 -0.717 0.000 0.623 103 A CB -0.558 18.241 19.000 -0.335 0.000 0.818 103 A HN 0.462 nan 8.150 nan 0.000 0.443 104 R N -0.091 120.257 120.500 -0.254 0.000 2.237 104 R HA 0.030 4.370 4.340 0.001 0.000 0.219 104 R C 0.717 176.929 176.300 -0.148 0.000 1.080 104 R CA 1.008 57.020 56.100 -0.146 0.000 0.995 104 R CB -0.184 30.053 30.300 -0.106 0.000 0.875 104 R HN 0.452 nan 8.270 nan 0.000 0.462 105 N N 0.659 119.235 118.700 -0.207 0.000 2.235 105 N HA -0.009 4.731 4.740 0.001 0.000 0.209 105 N C -0.274 175.130 175.510 -0.177 0.000 1.122 105 N CA 0.150 53.105 53.050 -0.159 0.000 0.845 105 N CB 0.842 39.244 38.487 -0.141 0.000 1.004 105 N HN 0.069 nan 8.380 nan 0.000 0.499 106 Q N -0.550 119.083 119.800 -0.277 0.000 2.466 106 Q HA -0.136 4.204 4.340 0.001 0.000 0.248 106 Q C -0.428 175.405 176.000 -0.278 0.000 0.791 106 Q CA 0.794 56.492 55.803 -0.175 0.000 1.225 106 Q CB -2.025 26.738 28.738 0.041 0.000 1.418 106 Q HN 0.470 nan 8.270 nan 0.000 0.662 107 I N 1.016 121.233 120.570 -0.587 0.000 2.362 107 I HA 0.423 4.593 4.170 0.001 0.000 0.289 107 I C -0.262 175.500 176.117 -0.591 0.000 0.994 107 I CA -0.613 60.482 61.300 -0.341 0.000 1.158 107 I CB 0.724 38.623 38.000 -0.168 0.000 1.315 107 I HN -0.174 nan 8.210 nan 0.000 0.451 108 F N 6.890 126.823 119.950 -0.028 0.000 2.460 108 F HA 0.410 4.938 4.527 0.001 0.000 0.341 108 F C -0.396 175.401 175.800 -0.005 0.000 1.130 108 F CA -0.830 57.155 58.000 -0.025 0.000 0.962 108 F CB 1.394 40.371 39.000 -0.039 0.000 1.171 108 F HN 0.212 nan 8.300 nan 0.000 0.436 109 L N 6.431 127.739 121.223 0.142 0.000 2.262 109 L HA 0.634 4.974 4.340 0.001 0.000 0.288 109 L C -0.275 176.671 176.870 0.127 0.000 1.035 109 L CA -0.520 54.404 54.840 0.141 0.000 0.820 109 L CB 0.077 42.229 42.059 0.155 0.000 1.204 109 L HN 0.590 nan 8.230 nan 0.000 0.424 110 I N 1.681 122.319 120.570 0.114 0.000 3.133 110 I HA 0.742 4.912 4.170 0.001 0.000 0.311 110 I C -0.715 175.459 176.117 0.095 0.000 1.072 110 I CA -0.948 60.409 61.300 0.095 0.000 1.015 110 I CB 2.192 40.227 38.000 0.059 0.000 1.233 110 I HN 0.639 nan 8.210 nan 0.000 0.473 111 N N 0.136 118.896 118.700 0.101 0.000 2.531 111 N HA 0.215 4.955 4.740 0.001 0.000 0.290 111 N C 0.580 176.137 175.510 0.078 0.000 1.257 111 N CA -0.569 52.555 53.050 0.123 0.000 0.863 111 N CB 0.448 39.044 38.487 0.182 0.000 1.320 111 N HN 0.720 nan 8.380 nan 0.000 0.538 112 E N 0.414 120.675 120.200 0.102 0.000 2.273 112 E HA -0.261 4.090 4.350 0.001 0.000 0.198 112 E C 0.501 177.149 176.600 0.080 0.000 1.002 112 E CA 1.322 57.778 56.400 0.093 0.000 0.828 112 E CB -0.261 29.576 29.700 0.228 0.000 0.747 112 E HN 0.673 nan 8.360 nan 0.000 0.491 113 R N 0.176 120.726 120.500 0.083 0.000 2.356 113 R HA 0.135 4.475 4.340 0.001 0.000 0.234 113 R C 0.721 177.044 176.300 0.039 0.000 0.929 113 R CA 0.264 56.407 56.100 0.071 0.000 1.084 113 R CB 0.268 30.611 30.300 0.072 0.000 1.105 113 R HN 0.292 nan 8.270 nan 0.000 0.515 114 Q N 0.402 120.212 119.800 0.016 0.000 2.106 114 Q HA 0.255 4.595 4.340 0.001 0.000 0.273 114 Q C -0.686 175.288 176.000 -0.044 0.000 0.853 114 Q CA -0.158 55.643 55.803 -0.003 0.000 1.118 114 Q CB 1.029 29.776 28.738 0.015 0.000 1.240 114 Q HN 0.155 nan 8.270 nan 0.000 0.445 115 L N 1.595 122.772 121.223 -0.077 0.000 2.357 115 L HA 0.384 4.724 4.340 0.001 0.000 0.273 115 L C 0.676 177.491 176.870 -0.093 0.000 1.080 115 L CA -0.712 54.053 54.840 -0.126 0.000 0.803 115 L CB 1.345 43.245 42.059 -0.265 0.000 1.174 115 L HN 0.164 nan 8.230 nan 0.000 0.443 116 S N 0.749 116.395 115.700 -0.090 0.000 2.565 116 S HA 0.161 4.631 4.470 0.001 0.000 0.276 116 S C 0.630 175.208 174.600 -0.038 0.000 1.326 116 S CA -0.952 57.211 58.200 -0.062 0.000 1.045 116 S CB 1.429 64.585 63.200 -0.074 0.000 0.918 116 S HN 0.346 nan 8.310 nan 0.000 0.505 117 V N 2.831 122.739 119.914 -0.010 0.000 3.494 117 V HA -0.016 4.104 4.120 0.001 0.000 0.272 117 V C 1.465 177.578 176.094 0.033 0.000 1.233 117 V CA 1.536 63.849 62.300 0.022 0.000 1.205 117 V CB -2.367 29.475 31.823 0.031 0.000 0.958 117 V HN 0.954 nan 8.190 nan 0.000 0.495 118 N N -0.250 118.461 118.700 0.018 0.000 2.559 118 N HA 0.005 4.745 4.740 0.001 0.000 0.247 118 N C 1.657 177.209 175.510 0.069 0.000 1.063 118 N CA 0.307 53.380 53.050 0.038 0.000 0.876 118 N CB 0.284 38.774 38.487 0.005 0.000 1.608 118 N HN 0.355 nan 8.380 nan 0.000 0.467 119 Q N 0.173 119.983 119.800 0.016 0.000 2.291 119 Q HA -0.061 4.279 4.340 0.001 0.000 0.205 119 Q C 1.545 177.603 176.000 0.097 0.000 0.970 119 Q CA 1.069 56.896 55.803 0.040 0.000 0.876 119 Q CB 0.037 28.730 28.738 -0.074 0.000 0.935 119 Q HN 0.543 nan 8.270 nan 0.000 0.455 120 Q N 0.421 120.216 119.800 -0.009 0.000 2.020 120 Q HA -0.139 4.201 4.340 0.001 0.000 0.202 120 Q C 1.809 177.922 176.000 0.188 0.000 0.982 120 Q CA 1.074 56.827 55.803 -0.083 0.000 0.838 120 Q CB -0.143 28.555 28.738 -0.067 0.000 0.899 120 Q HN 0.436 nan 8.270 nan 0.000 0.423 121 N N 0.275 119.096 118.700 0.201 0.000 2.104 121 N HA -0.207 4.533 4.740 0.001 0.000 0.190 121 N C 1.396 177.070 175.510 0.273 0.000 1.024 121 N CA 1.260 54.446 53.050 0.227 0.000 0.853 121 N CB -0.435 38.160 38.487 0.180 0.000 1.008 121 N HN 0.375 nan 8.380 nan 0.000 0.424 122 W N 2.144 123.504 121.300 0.101 0.000 2.358 122 W HA -0.001 4.659 4.660 0.001 0.000 0.303 122 W C 2.153 178.799 176.519 0.212 0.000 1.208 122 W CA 0.830 58.243 57.345 0.114 0.000 1.274 122 W CB -0.405 29.072 29.460 0.027 0.000 1.138 122 W HN -0.032 nan 8.180 nan 0.000 0.515 123 L N 0.247 121.701 121.223 0.385 0.000 2.056 123 L HA -0.203 4.138 4.340 0.001 0.000 0.207 123 L C 2.715 179.775 176.870 0.316 0.000 1.078 123 L CA 1.587 56.616 54.840 0.314 0.000 0.749 123 L CB -0.701 41.538 42.059 0.299 0.000 0.901 123 L HN -0.032 nan 8.230 nan 0.000 0.433 124 R N -1.311 119.381 120.500 0.320 0.000 2.083 124 R HA -0.233 4.107 4.340 0.001 0.000 0.237 124 R C 2.361 178.817 176.300 0.259 0.000 1.137 124 R CA 1.524 57.797 56.100 0.289 0.000 0.951 124 R CB -0.692 29.756 30.300 0.247 0.000 0.851 124 R HN 0.434 nan 8.270 nan 0.000 0.434 125 H N 0.100 119.224 119.070 0.089 0.000 2.326 125 H HA -0.172 4.384 4.556 0.001 0.000 0.301 125 H C 1.835 177.141 175.328 -0.036 0.000 1.081 125 H CA 1.770 57.823 56.048 0.008 0.000 1.334 125 H CB -0.289 29.439 29.762 -0.058 0.000 1.385 125 H HN 0.249 nan 8.280 nan 0.000 0.504 126 Y N 0.370 120.591 120.300 -0.133 0.000 2.333 126 Y HA -0.222 4.328 4.550 0.001 0.000 0.290 126 Y C 2.272 178.205 175.900 0.055 0.000 1.144 126 Y CA 1.566 59.515 58.100 -0.250 0.000 1.228 126 Y CB -0.752 37.132 38.460 -0.959 0.000 0.985 126 Y HN 0.173 nan 8.280 nan 0.000 0.542 127 F N 0.668 120.646 119.950 0.046 0.000 2.163 127 F HA -0.049 4.479 4.527 0.001 0.000 0.297 127 F C 2.073 177.843 175.800 -0.049 0.000 1.094 127 F CA 1.679 59.702 58.000 0.038 0.000 1.290 127 F CB -0.221 38.854 39.000 0.126 0.000 1.017 127 F HN -0.138 nan 8.300 nan 0.000 0.483 128 K N -0.092 120.263 120.400 -0.074 0.000 2.001 128 K HA -0.164 4.157 4.320 0.001 0.000 0.208 128 K C 2.100 178.509 176.600 -0.318 0.000 1.048 128 K CA 1.547 57.711 56.287 -0.206 0.000 0.932 128 K CB -0.313 32.109 32.500 -0.130 0.000 0.715 128 K HN 0.202 nan 8.250 nan 0.000 0.437 129 Q N -0.635 118.989 119.800 -0.294 0.000 2.170 129 Q HA -0.139 4.202 4.340 0.001 0.000 0.203 129 Q C 1.246 176.859 176.000 -0.644 0.000 0.976 129 Q CA 1.694 57.253 55.803 -0.407 0.000 0.858 129 Q CB 0.116 28.705 28.738 -0.248 0.000 0.907 129 Q HN 0.499 nan 8.270 nan 0.000 0.433 130 Y N -2.245 117.763 120.300 -0.487 0.000 2.494 130 Y HA 0.203 4.754 4.550 0.001 0.000 0.271 130 Y C 1.809 177.504 175.900 -0.342 0.000 1.113 130 Y CA -0.137 57.697 58.100 -0.444 0.000 1.240 130 Y CB 0.368 38.436 38.460 -0.653 0.000 1.268 130 Y HN -0.116 nan 8.280 nan 0.000 0.510 131 L N -0.790 120.222 121.223 -0.352 0.000 2.362 131 L HA 0.138 4.478 4.340 0.001 0.000 0.204 131 L C 2.493 179.064 176.870 -0.499 0.000 1.060 131 L CA 0.305 54.956 54.840 -0.315 0.000 0.827 131 L CB -0.270 41.650 42.059 -0.232 0.000 1.027 131 L HN -0.021 nan 8.230 nan 0.000 0.474 132 R N 1.584 121.466 120.500 -1.030 0.000 2.159 132 R HA -0.319 4.022 4.340 0.001 0.000 0.252 132 R C 2.229 178.350 176.300 -0.298 0.000 1.144 132 R CA 2.780 58.472 56.100 -0.680 0.000 0.961 132 R CB -0.463 29.529 30.300 -0.512 0.000 0.877 132 R HN 0.600 nan 8.270 nan 0.000 0.444 133 Q N -1.359 118.250 119.800 -0.318 0.000 2.248 133 Q HA -0.196 4.145 4.340 0.001 0.000 0.208 133 Q C 1.116 176.913 176.000 -0.339 0.000 0.984 133 Q CA 1.798 57.408 55.803 -0.323 0.000 0.875 133 Q CB -0.301 28.191 28.738 -0.410 0.000 0.910 133 Q HN 0.611 nan 8.270 nan 0.000 0.433 134 H N -0.442 118.565 119.070 -0.106 0.000 2.592 134 H HA 0.247 4.804 4.556 0.001 0.000 0.265 134 H C 0.107 175.433 175.328 -0.003 0.000 0.955 134 H CA -0.043 55.980 56.048 -0.040 0.000 1.175 134 H CB 0.868 30.616 29.762 -0.024 0.000 1.433 134 H HN 0.198 nan 8.280 nan 0.000 0.537 135 I N 2.802 123.423 120.570 0.085 0.000 2.307 135 I HA 0.123 4.293 4.170 0.001 0.000 0.287 135 I C 0.034 176.187 176.117 0.060 0.000 1.054 135 I CA 0.106 61.472 61.300 0.109 0.000 1.218 135 I CB 0.717 38.829 38.000 0.187 0.000 1.398 135 I HN -0.147 nan 8.210 nan 0.000 0.475 136 T N 7.522 122.112 114.554 0.060 0.000 2.833 136 T HA 0.356 4.706 4.350 0.001 0.000 0.297 136 T C -2.341 172.381 174.700 0.036 0.000 1.015 136 T CA -1.294 60.818 62.100 0.021 0.000 0.963 136 T CB 1.450 70.324 68.868 0.010 0.000 0.955 136 T HN 0.244 nan 8.240 nan 0.000 0.449 137 P HA 0.144 nan 4.420 nan 0.000 0.261 137 P C -0.629 176.722 177.300 0.086 0.000 1.183 137 P CA 0.022 63.124 63.100 0.003 0.000 0.761 137 P CB 0.247 31.847 31.700 -0.168 0.000 0.785 138 I N 4.547 125.207 120.570 0.149 0.000 2.347 138 I HA 0.144 4.314 4.170 0.001 0.000 0.283 138 I C 0.220 176.442 176.117 0.175 0.000 1.058 138 I CA -0.556 60.843 61.300 0.165 0.000 1.202 138 I CB 0.218 38.358 38.000 0.233 0.000 1.386 138 I HN 0.126 nan 8.210 nan 0.000 0.475 139 L N 6.898 128.222 121.223 0.167 0.000 2.477 139 L HA 0.187 4.528 4.340 0.001 0.000 0.272 139 L C 0.149 177.117 176.870 0.162 0.000 1.157 139 L CA 0.168 55.120 54.840 0.187 0.000 0.889 139 L CB 0.076 42.261 42.059 0.210 0.000 1.158 139 L HN 0.483 nan 8.230 nan 0.000 0.473 140 I N 4.591 125.260 120.570 0.166 0.000 2.281 140 I HA 0.152 4.323 4.170 0.001 0.000 0.293 140 I C 0.052 176.249 176.117 0.133 0.000 1.085 140 I CA -0.058 61.326 61.300 0.141 0.000 1.257 140 I CB -0.084 37.999 38.000 0.138 0.000 1.430 140 I HN 0.657 nan 8.210 nan 0.000 0.489 141 N N 8.232 126.995 118.700 0.105 0.000 2.525 141 N HA 0.407 5.148 4.740 0.001 0.000 0.288 141 N C -1.660 173.888 175.510 0.064 0.000 1.242 141 N CA -1.665 51.435 53.050 0.084 0.000 0.905 141 N CB 1.025 39.555 38.487 0.072 0.000 1.258 141 N HN 0.175 nan 8.380 nan 0.000 0.551 142 P HA -0.149 nan 4.420 nan 0.000 0.216 142 P C 0.125 177.442 177.300 0.029 0.000 1.150 142 P CA 1.650 64.771 63.100 0.035 0.000 0.843 142 P CB 0.238 31.956 31.700 0.029 0.000 0.787 143 D N -1.744 118.675 120.400 0.032 0.000 2.349 143 D HA 0.028 4.668 4.640 0.001 0.000 0.214 143 D C 0.259 176.584 176.300 0.043 0.000 1.063 143 D CA 0.129 54.146 54.000 0.028 0.000 0.847 143 D CB -0.651 40.161 40.800 0.020 0.000 0.933 143 D HN 0.071 nan 8.370 nan 0.000 0.513 144 T N 2.448 117.038 114.554 0.060 0.000 2.907 144 T HA 0.196 4.546 4.350 0.001 0.000 0.298 144 T C 0.018 174.778 174.700 0.100 0.000 1.017 144 T CA -0.252 61.910 62.100 0.104 0.000 1.118 144 T CB 1.233 70.177 68.868 0.126 0.000 0.948 144 T HN 0.203 nan 8.240 nan 0.000 0.531 145 D N 3.869 124.372 120.400 0.172 0.000 2.378 145 D HA 0.132 4.773 4.640 0.001 0.000 0.265 145 D C 1.072 177.344 176.300 -0.046 0.000 1.229 145 D CA -0.478 53.559 54.000 0.061 0.000 0.914 145 D CB 0.320 41.150 40.800 0.050 0.000 1.140 145 D HN 0.363 nan 8.370 nan 0.000 0.516 146 L N 0.943 122.006 121.223 -0.266 0.000 2.051 146 L HA -0.278 4.063 4.340 0.001 0.000 0.214 146 L C 2.459 178.929 176.870 -0.667 0.000 1.076 146 L CA 1.308 55.710 54.840 -0.730 0.000 0.758 146 L CB -0.982 40.760 42.059 -0.529 0.000 0.890 146 L HN 0.241 nan 8.230 nan 0.000 0.433 147 V N -0.702 118.997 119.914 -0.359 0.000 2.255 147 V HA -0.446 3.674 4.120 0.001 0.000 0.258 147 V C 2.372 178.327 176.094 -0.232 0.000 1.069 147 V CA 2.442 64.592 62.300 -0.250 0.000 1.082 147 V CB -1.315 30.422 31.823 -0.144 0.000 0.707 147 V HN 0.525 nan 8.190 nan 0.000 0.466 148 Q N 0.361 120.070 119.800 -0.152 0.000 1.809 148 Q HA -0.121 4.220 4.340 0.001 0.000 0.269 148 Q C 2.092 178.045 176.000 -0.078 0.000 0.984 148 Q CA 1.954 57.727 55.803 -0.049 0.000 0.885 148 Q CB -0.454 28.339 28.738 0.092 0.000 0.933 148 Q HN 0.846 nan 8.270 nan 0.000 0.422 149 F N 0.497 120.409 119.950 -0.064 0.000 2.724 149 F HA 0.096 4.623 4.527 0.001 0.000 0.297 149 F C 0.343 176.098 175.800 -0.076 0.000 1.200 149 F CA -0.175 57.788 58.000 -0.062 0.000 1.468 149 F CB -0.428 38.542 39.000 -0.050 0.000 1.116 149 F HN -0.030 nan 8.300 nan 0.000 0.599 150 L N 3.104 123.993 121.223 -0.556 0.000 2.278 150 L HA 0.257 4.597 4.340 0.001 0.000 0.287 150 L C 0.153 176.934 176.870 -0.149 0.000 1.072 150 L CA -0.597 53.962 54.840 -0.467 0.000 0.819 150 L CB 0.205 41.888 42.059 -0.626 0.000 1.176 150 L HN 0.030 nan 8.230 nan 0.000 0.435 151 K N 3.539 123.946 120.400 0.012 0.000 2.485 151 K HA 0.002 4.322 4.320 0.001 0.000 0.277 151 K C -0.264 176.400 176.600 0.107 0.000 0.990 151 K CA -0.153 56.094 56.287 -0.066 0.000 0.994 151 K CB 0.430 32.593 32.500 -0.563 0.000 0.906 151 K HN 0.570 nan 8.250 nan 0.000 0.488 152 D N 1.603 122.056 120.400 0.088 0.000 2.345 152 D HA -0.001 4.640 4.640 0.001 0.000 0.247 152 D C -0.002 176.472 176.300 0.290 0.000 1.108 152 D CA 0.306 54.398 54.000 0.152 0.000 0.894 152 D CB 0.676 41.532 40.800 0.093 0.000 1.203 152 D HN 0.498 nan 8.370 nan 0.000 0.430 153 D N 0.488 121.034 120.400 0.242 0.000 3.067 153 D HA -0.274 4.366 4.640 0.001 0.000 0.216 153 D C -0.683 175.765 176.300 0.245 0.000 1.162 153 D CA 1.028 55.164 54.000 0.226 0.000 0.960 153 D CB -1.008 39.909 40.800 0.195 0.000 1.129 153 D HN 0.350 nan 8.370 nan 0.000 0.408 154 Y N 0.142 120.492 120.300 0.082 0.000 2.335 154 Y HA 0.424 4.975 4.550 0.001 0.000 0.323 154 Y C 1.041 176.918 175.900 -0.039 0.000 1.224 154 Y CA -0.398 57.684 58.100 -0.030 0.000 1.241 154 Y CB 1.226 39.598 38.460 -0.145 0.000 1.235 154 Y HN -0.263 nan 8.280 nan 0.000 0.492 155 T N 3.478 118.030 114.554 -0.005 0.000 2.806 155 T HA 0.372 4.722 4.350 0.001 0.000 0.290 155 T C -1.168 173.494 174.700 -0.064 0.000 0.966 155 T CA -0.366 61.781 62.100 0.079 0.000 1.060 155 T CB -0.021 68.915 68.868 0.113 0.000 0.927 155 T HN 0.295 nan 8.240 nan 0.000 0.485 156 Y N 1.577 122.004 120.300 0.211 0.000 2.429 156 Y HA 0.531 5.081 4.550 0.001 0.000 0.342 156 Y C -0.325 175.690 175.900 0.192 0.000 1.004 156 Y CA -1.306 56.905 58.100 0.186 0.000 1.075 156 Y CB 1.382 39.930 38.460 0.147 0.000 1.214 156 Y HN 0.365 nan 8.280 nan 0.000 0.455 157 L N 3.393 124.808 121.223 0.320 0.000 2.259 157 L HA 0.564 4.904 4.340 0.001 0.000 0.288 157 L C -0.051 176.976 176.870 0.262 0.000 1.051 157 L CA -0.560 54.429 54.840 0.249 0.000 0.824 157 L CB 0.290 42.463 42.059 0.190 0.000 1.206 157 L HN 0.734 nan 8.230 nan 0.000 0.429 158 A N 5.217 128.193 122.820 0.259 0.000 2.347 158 A HA 0.600 4.921 4.320 0.001 0.000 0.287 158 A C -0.325 177.396 177.584 0.229 0.000 1.199 158 A CA -0.404 51.767 52.037 0.222 0.000 0.851 158 A CB 0.141 19.253 19.000 0.186 0.000 1.118 158 A HN 0.435 nan 8.150 nan 0.000 0.525 159 V N 2.615 122.641 119.914 0.187 0.000 2.532 159 V HA 0.357 4.477 4.120 0.001 0.000 0.295 159 V C 0.376 176.549 176.094 0.130 0.000 1.041 159 V CA -0.599 61.755 62.300 0.089 0.000 0.926 159 V CB 1.624 33.414 31.823 -0.055 0.000 0.992 159 V HN 0.948 nan 8.190 nan 0.000 0.457 160 E N 4.061 124.315 120.200 0.090 0.000 2.102 160 E HA 0.336 4.687 4.350 0.001 0.000 0.263 160 E C -1.091 175.406 176.600 -0.172 0.000 0.894 160 E CA -0.683 55.794 56.400 0.129 0.000 0.746 160 E CB 0.842 30.728 29.700 0.309 0.000 1.129 160 E HN 0.515 nan 8.360 nan 0.000 0.416 161 I N 6.812 127.205 120.570 -0.296 0.000 2.308 161 I HA 0.227 4.398 4.170 0.001 0.000 0.293 161 I C 0.161 176.167 176.117 -0.184 0.000 1.078 161 I CA -0.269 60.808 61.300 -0.372 0.000 1.292 161 I CB -0.043 37.741 38.000 -0.360 0.000 1.423 161 I HN 0.531 nan 8.210 nan 0.000 0.493 162 I N 6.873 127.377 120.570 -0.110 0.000 2.354 162 I HA 0.397 4.567 4.170 0.001 0.000 0.292 162 I C 0.484 176.640 176.117 0.065 0.000 0.989 162 I CA -0.545 60.741 61.300 -0.023 0.000 1.188 162 I CB 1.385 39.378 38.000 -0.010 0.000 1.342 162 I HN 0.384 nan 8.210 nan 0.000 0.457 163 R N 4.887 125.418 120.500 0.052 0.000 2.521 163 R HA 0.442 4.782 4.340 0.001 0.000 0.295 163 R C 0.206 176.527 176.300 0.036 0.000 1.183 163 R CA 0.262 56.404 56.100 0.070 0.000 0.957 163 R CB 1.409 31.762 30.300 0.088 0.000 1.171 163 R HN 0.955 nan 8.270 nan 0.000 0.494 164 G N 3.887 112.706 108.800 0.032 0.000 2.583 164 G HA2 -0.395 3.566 3.960 0.001 0.000 0.292 164 G HA3 -0.395 3.566 3.960 0.001 0.000 0.292 164 G C 0.277 175.186 174.900 0.015 0.000 1.203 164 G CA 0.619 45.731 45.100 0.021 0.000 0.987 164 G HN 0.700 nan 8.290 nan 0.000 0.554 165 D N 0.602 121.008 120.400 0.010 0.000 2.325 165 D HA 0.203 4.844 4.640 0.001 0.000 0.225 165 D C 0.855 177.153 176.300 -0.004 0.000 1.096 165 D CA 0.977 54.981 54.000 0.006 0.000 0.844 165 D CB -0.218 40.586 40.800 0.007 0.000 0.925 165 D HN 0.375 nan 8.370 nan 0.000 0.513 166 T N 1.037 115.588 114.554 -0.005 0.000 2.882 166 T HA 0.510 4.861 4.350 0.001 0.000 0.287 166 T C 0.094 174.760 174.700 -0.056 0.000 0.992 166 T CA -0.304 61.784 62.100 -0.021 0.000 1.076 166 T CB 1.150 70.017 68.868 -0.001 0.000 0.961 166 T HN 0.059 nan 8.240 nan 0.000 0.490 167 I N 3.726 124.225 120.570 -0.118 0.000 2.500 167 I HA 0.414 4.585 4.170 0.001 0.000 0.286 167 I C 0.121 175.976 176.117 -0.436 0.000 1.063 167 I CA -0.808 60.336 61.300 -0.260 0.000 1.062 167 I CB 1.790 39.618 38.000 -0.286 0.000 1.223 167 I HN 0.384 nan 8.210 nan 0.000 0.435 168 R N 4.738 124.986 120.500 -0.419 0.000 2.782 168 R HA 0.725 5.065 4.340 0.001 0.000 0.258 168 R C -1.557 174.413 176.300 -0.550 0.000 1.055 168 R CA -0.922 54.960 56.100 -0.364 0.000 1.065 168 R CB 2.042 32.304 30.300 -0.063 0.000 1.172 168 R HN 0.426 nan 8.270 nan 0.000 0.510 169 Y N -0.743 119.566 120.300 0.015 0.000 2.457 169 Y HA 0.623 5.173 4.550 0.001 0.000 0.343 169 Y C -0.349 175.573 175.900 0.036 0.000 0.994 169 Y CA -1.013 57.089 58.100 0.002 0.000 1.031 169 Y CB 2.604 41.071 38.460 0.011 0.000 1.246 169 Y HN 0.665 nan 8.280 nan 0.000 0.449 170 A N 3.347 126.299 122.820 0.220 0.000 2.515 170 A HA 0.886 5.206 4.320 0.001 0.000 0.296 170 A C -1.901 175.814 177.584 0.219 0.000 1.094 170 A CA -0.771 51.397 52.037 0.218 0.000 0.718 170 A CB 1.548 20.723 19.000 0.292 0.000 1.307 170 A HN 0.721 nan 8.150 nan 0.000 0.408 171 L N 1.149 122.497 121.223 0.208 0.000 2.346 171 L HA 0.576 4.916 4.340 0.001 0.000 0.274 171 L C -1.087 175.959 176.870 0.293 0.000 1.007 171 L CA -0.540 54.435 54.840 0.225 0.000 0.818 171 L CB 1.709 43.836 42.059 0.114 0.000 1.284 171 L HN 0.589 nan 8.230 nan 0.000 0.424 172 L N 2.801 124.226 121.223 0.338 0.000 2.325 172 L HA 0.419 4.760 4.340 0.001 0.000 0.281 172 L C -0.095 176.964 176.870 0.315 0.000 1.004 172 L CA -0.407 54.609 54.840 0.293 0.000 0.823 172 L CB 2.096 44.296 42.059 0.235 0.000 1.236 172 L HN 0.603 nan 8.230 nan 0.000 0.415 173 E N 4.182 124.536 120.200 0.257 0.000 2.259 173 E HA 0.216 4.567 4.350 0.001 0.000 0.281 173 E C -0.533 176.068 176.600 0.001 0.000 1.037 173 E CA -0.834 55.548 56.400 -0.031 0.000 0.854 173 E CB 0.954 30.699 29.700 0.075 0.000 1.051 173 E HN 0.360 nan 8.360 nan 0.000 0.409 174 I N 7.706 128.234 120.570 -0.069 0.000 2.421 174 I HA 0.081 4.251 4.170 0.001 0.000 0.291 174 I C -1.752 174.357 176.117 -0.013 0.000 1.089 174 I CA -2.332 58.963 61.300 -0.008 0.000 1.354 174 I CB 0.205 38.187 38.000 -0.030 0.000 1.413 174 I HN 0.415 nan 8.210 nan 0.000 0.513 175 P HA 0.120 nan 4.420 nan 0.000 0.225 175 P C 0.665 177.922 177.300 -0.072 0.000 1.768 175 P CA -0.079 63.026 63.100 0.008 0.000 0.943 175 P CB 0.264 31.967 31.700 0.005 0.000 1.936 176 S N 0.835 116.466 115.700 -0.115 0.000 2.500 176 S HA -0.091 4.380 4.470 0.001 0.000 0.239 176 S C 1.317 175.843 174.600 -0.123 0.000 0.989 176 S CA 1.025 59.137 58.200 -0.147 0.000 0.951 176 S CB -0.266 62.816 63.200 -0.197 0.000 0.759 176 S HN 0.474 nan 8.310 nan 0.000 0.523 177 D N 1.220 121.565 120.400 -0.092 0.000 2.213 177 D HA -0.002 4.638 4.640 0.001 0.000 0.205 177 D C 1.185 177.456 176.300 -0.048 0.000 0.961 177 D CA 0.704 54.681 54.000 -0.039 0.000 0.853 177 D CB -0.071 40.763 40.800 0.056 0.000 0.967 177 D HN 0.380 nan 8.370 nan 0.000 0.496 178 K N 0.275 120.606 120.400 -0.115 0.000 2.358 178 K HA 0.296 4.616 4.320 0.001 0.000 0.200 178 K C -0.146 176.293 176.600 -0.268 0.000 1.030 178 K CA 0.007 56.167 56.287 -0.211 0.000 1.097 178 K CB 2.081 34.352 32.500 -0.382 0.000 0.862 178 K HN -0.096 nan 8.250 nan 0.000 0.534 179 V N 2.326 122.132 119.914 -0.181 0.000 3.012 179 V HA 0.233 4.353 4.120 0.001 0.000 0.307 179 V C -2.546 173.515 176.094 -0.056 0.000 1.166 179 V CA -2.120 60.116 62.300 -0.107 0.000 0.974 179 V CB 2.438 34.195 31.823 -0.111 0.000 1.040 179 V HN 0.034 nan 8.190 nan 0.000 0.428 180 P HA 0.141 nan 4.420 nan 0.000 0.268 180 P C 0.046 177.297 177.300 -0.082 0.000 1.204 180 P CA -0.059 63.036 63.100 -0.009 0.000 0.768 180 P CB 0.946 32.669 31.700 0.037 0.000 0.842 181 R N 1.727 122.106 120.500 -0.202 0.000 2.307 181 R HA 0.080 4.420 4.340 0.001 0.000 0.199 181 R C -0.215 175.590 176.300 -0.825 0.000 1.000 181 R CA 0.460 56.256 56.100 -0.507 0.000 1.023 181 R CB -0.161 29.739 30.300 -0.668 0.000 0.908 181 R HN 0.415 nan 8.270 nan 0.000 0.473 182 F N -0.246 119.634 119.950 -0.117 0.000 2.553 182 F HA 0.329 4.857 4.527 0.001 0.000 0.335 182 F C -0.469 175.256 175.800 -0.126 0.000 1.148 182 F CA -1.005 56.903 58.000 -0.154 0.000 0.963 182 F CB 1.726 40.548 39.000 -0.298 0.000 1.217 182 F HN -0.392 nan 8.300 nan 0.000 0.441 183 V N 3.097 123.031 119.914 0.033 0.000 2.532 183 V HA 0.331 4.451 4.120 0.001 0.000 0.295 183 V C -0.100 175.949 176.094 -0.074 0.000 1.041 183 V CA -0.933 61.343 62.300 -0.040 0.000 0.926 183 V CB 1.599 33.341 31.823 -0.136 0.000 0.992 183 V HN 0.615 nan 8.190 nan 0.000 0.457 184 N N 3.947 122.576 118.700 -0.118 0.000 2.472 184 N HA 0.469 5.210 4.740 0.001 0.000 0.277 184 N C -0.616 174.683 175.510 -0.353 0.000 1.081 184 N CA -0.239 52.705 53.050 -0.177 0.000 0.973 184 N CB 1.765 40.159 38.487 -0.156 0.000 1.105 184 N HN 0.480 nan 8.380 nan 0.000 0.470 185 L N 3.002 123.997 121.223 -0.380 0.000 2.387 185 L HA 0.488 4.829 4.340 0.001 0.000 0.266 185 L C -1.869 174.595 176.870 -0.677 0.000 1.059 185 L CA -1.798 52.663 54.840 -0.632 0.000 0.801 185 L CB 1.131 42.979 42.059 -0.352 0.000 1.223 185 L HN 0.295 nan 8.230 nan 0.000 0.456 186 P HA 0.229 nan 4.420 nan 0.000 0.287 186 P C -2.610 174.470 177.300 -0.368 0.000 1.294 186 P CA -1.870 60.855 63.100 -0.625 0.000 0.776 186 P CB 0.530 31.762 31.700 -0.779 0.000 0.889 187 P HA -0.073 nan 4.420 nan 0.000 0.253 187 P C 1.081 178.273 177.300 -0.180 0.000 1.170 187 P CA 0.625 63.602 63.100 -0.204 0.000 0.806 187 P CB 0.211 31.817 31.700 -0.157 0.000 0.775 188 E N 4.959 125.050 120.200 -0.182 0.000 2.045 188 E HA -0.260 4.090 4.350 0.001 0.000 0.212 188 E C 1.335 177.868 176.600 -0.113 0.000 1.039 188 E CA 2.670 58.984 56.400 -0.142 0.000 0.860 188 E CB -0.446 29.168 29.700 -0.143 0.000 0.776 188 E HN 0.425 nan 8.360 nan 0.000 0.467 189 A N -0.543 122.208 122.820 -0.115 0.000 2.083 189 A HA 0.340 4.661 4.320 0.001 0.000 0.210 189 A C -1.600 175.934 177.584 -0.083 0.000 2.137 189 A CA 0.155 52.140 52.037 -0.088 0.000 1.008 189 A CB -1.149 17.805 19.000 -0.078 0.000 1.306 189 A HN 0.407 nan 8.150 nan 0.000 0.632 190 P HA 0.239 nan 4.420 nan 0.000 0.272 190 P C -0.633 176.624 177.300 -0.072 0.000 1.230 190 P CA -0.168 62.891 63.100 -0.069 0.000 0.788 190 P CB 0.630 32.291 31.700 -0.064 0.000 0.949 191 R N 0.518 120.986 120.500 -0.052 0.000 2.334 191 R HA 0.116 4.456 4.340 0.001 0.000 0.220 191 R C 1.930 178.211 176.300 -0.032 0.000 0.917 191 R CA -0.208 55.863 56.100 -0.049 0.000 1.073 191 R CB 0.139 30.415 30.300 -0.039 0.000 1.056 191 R HN 0.338 nan 8.270 nan 0.000 0.506 192 R N 0.738 121.223 120.500 -0.024 0.000 2.115 192 R HA 0.038 4.378 4.340 0.001 0.000 0.226 192 R C 0.611 176.943 176.300 0.052 0.000 1.100 192 R CA 0.603 56.710 56.100 0.013 0.000 0.980 192 R CB -0.118 30.195 30.300 0.023 0.000 0.875 192 R HN 0.012 nan 8.270 nan 0.000 0.445 193 R N 1.154 121.655 120.500 0.001 0.000 2.811 193 R HA 0.003 4.343 4.340 0.001 0.000 0.265 193 R C 0.410 176.748 176.300 0.063 0.000 1.026 193 R CA 0.772 56.882 56.100 0.017 0.000 1.142 193 R CB 0.344 30.536 30.300 -0.180 0.000 1.027 193 R HN -0.223 nan 8.270 nan 0.000 0.465 194 K N 1.899 122.403 120.400 0.174 0.000 3.394 194 K HA 0.189 4.510 4.320 0.001 0.000 0.166 194 K C -2.665 174.025 176.600 0.150 0.000 1.063 194 K CA -1.248 55.098 56.287 0.099 0.000 0.764 194 K CB 1.344 33.890 32.500 0.075 0.000 0.870 194 K HN 0.499 nan 8.250 nan 0.000 0.556 195 P HA 0.219 nan 4.420 nan 0.000 0.281 195 P C -0.286 177.001 177.300 -0.022 0.000 1.252 195 P CA -0.184 62.946 63.100 0.050 0.000 0.778 195 P CB 0.725 32.370 31.700 -0.090 0.000 0.895 196 M N 3.388 123.005 119.600 0.028 0.000 2.690 196 M HA 0.692 5.172 4.480 0.001 0.000 0.302 196 M C -0.433 175.898 176.300 0.050 0.000 1.234 196 M CA -1.195 54.109 55.300 0.006 0.000 0.853 196 M CB 2.849 35.452 32.600 0.004 0.000 1.748 196 M HN 0.175 nan 8.290 nan 0.000 0.469 197 I N 0.995 121.598 120.570 0.054 0.000 2.802 197 I HA 0.491 4.662 4.170 0.001 0.000 0.298 197 I C -1.690 174.463 176.117 0.060 0.000 1.176 197 I CA -1.092 60.248 61.300 0.066 0.000 1.025 197 I CB 2.322 40.347 38.000 0.042 0.000 1.243 197 I HN 0.722 nan 8.210 nan 0.000 0.424 198 L N 5.904 127.144 121.223 0.029 0.000 2.397 198 L HA 0.108 4.448 4.340 0.001 0.000 0.271 198 L C 0.980 177.819 176.870 -0.051 0.000 1.148 198 L CA -0.243 54.539 54.840 -0.097 0.000 0.825 198 L CB 1.342 43.297 42.059 -0.173 0.000 1.117 198 L HN 0.681 nan 8.230 nan 0.000 0.456 199 L N 2.298 123.450 121.223 -0.117 0.000 2.081 199 L HA -0.230 4.110 4.340 0.001 0.000 0.212 199 L C 1.725 178.630 176.870 0.057 0.000 1.080 199 L CA 1.941 56.776 54.840 -0.008 0.000 0.754 199 L CB -0.550 41.477 42.059 -0.054 0.000 0.893 199 L HN 0.670 nan 8.230 nan 0.000 0.433 200 D N -0.333 120.088 120.400 0.036 0.000 2.123 200 D HA -0.179 4.461 4.640 0.001 0.000 0.196 200 D C 1.790 178.175 176.300 0.142 0.000 0.992 200 D CA 1.427 55.490 54.000 0.105 0.000 0.833 200 D CB -0.464 40.428 40.800 0.155 0.000 0.954 200 D HN 0.415 nan 8.370 nan 0.000 0.455 201 N N 0.275 119.068 118.700 0.156 0.000 2.459 201 N HA -0.025 4.715 4.740 0.001 0.000 0.181 201 N C 1.856 177.465 175.510 0.166 0.000 1.046 201 N CA 0.220 53.373 53.050 0.171 0.000 0.904 201 N CB 0.106 38.703 38.487 0.183 0.000 0.964 201 N HN 0.333 nan 8.380 nan 0.000 0.444 202 I N 0.744 121.413 120.570 0.165 0.000 2.286 202 I HA -0.169 4.001 4.170 0.001 0.000 0.245 202 I C 1.982 178.199 176.117 0.166 0.000 1.104 202 I CA 0.736 62.161 61.300 0.209 0.000 1.397 202 I CB -0.150 38.012 38.000 0.270 0.000 1.072 202 I HN 0.034 nan 8.210 nan 0.000 0.417 203 L N 0.254 121.567 121.223 0.150 0.000 2.093 203 L HA -0.161 4.180 4.340 0.001 0.000 0.208 203 L C 2.711 179.605 176.870 0.040 0.000 1.085 203 L CA 1.304 56.196 54.840 0.087 0.000 0.755 203 L CB -0.684 41.463 42.059 0.147 0.000 0.904 203 L HN 0.197 nan 8.230 nan 0.000 0.435 204 R N -0.894 119.654 120.500 0.081 0.000 2.096 204 R HA -0.209 4.131 4.340 0.001 0.000 0.235 204 R C 2.299 178.624 176.300 0.043 0.000 1.127 204 R CA 1.626 57.757 56.100 0.051 0.000 0.968 204 R CB -0.437 29.905 30.300 0.070 0.000 0.861 204 R HN 0.246 nan 8.270 nan 0.000 0.440 205 Y N 0.056 120.349 120.300 -0.011 0.000 2.263 205 Y HA -0.143 4.407 4.550 0.001 0.000 0.292 205 Y C 1.603 177.462 175.900 -0.067 0.000 1.130 205 Y CA 0.703 58.793 58.100 -0.016 0.000 1.179 205 Y CB 0.096 38.566 38.460 0.016 0.000 0.998 205 Y HN 0.010 nan 8.280 nan 0.000 0.532 206 C N 0.514 119.678 119.300 -0.227 0.000 2.673 206 C HA 0.162 4.622 4.460 0.001 0.000 0.274 206 C C 2.507 177.302 174.990 -0.326 0.000 1.276 206 C CA -0.463 58.291 59.018 -0.438 0.000 1.701 206 C CB -1.770 25.444 27.740 -0.877 0.000 1.836 206 C HN 0.563 nan 8.230 nan 0.000 0.596 207 L N 1.323 122.449 121.223 -0.162 0.000 2.021 207 L HA -0.253 4.087 4.340 0.001 0.000 0.215 207 L C 2.468 179.405 176.870 0.112 0.000 1.074 207 L CA 2.172 57.025 54.840 0.021 0.000 0.760 207 L CB -0.593 41.451 42.059 -0.026 0.000 0.889 207 L HN 0.348 nan 8.230 nan 0.000 0.433 208 D N 0.036 120.435 120.400 -0.003 0.000 2.106 208 D HA -0.235 4.405 4.640 0.001 0.000 0.191 208 D C 1.693 178.084 176.300 0.152 0.000 0.997 208 D CA 1.548 55.618 54.000 0.117 0.000 0.834 208 D CB -0.008 40.816 40.800 0.040 0.000 0.956 208 D HN 0.209 nan 8.370 nan 0.000 0.448 209 D N -0.674 119.731 120.400 0.009 0.000 2.265 209 D HA -0.107 4.534 4.640 0.001 0.000 0.208 209 D C 1.996 178.353 176.300 0.094 0.000 0.977 209 D CA 0.516 54.535 54.000 0.031 0.000 0.871 209 D CB -0.105 40.664 40.800 -0.051 0.000 0.925 209 D HN 0.429 nan 8.370 nan 0.000 0.485 210 I N -1.050 119.553 120.570 0.055 0.000 2.480 210 I HA -0.139 4.031 4.170 0.001 0.000 0.251 210 I C 1.332 177.378 176.117 -0.119 0.000 1.124 210 I CA 0.675 61.948 61.300 -0.044 0.000 1.444 210 I CB 0.025 37.887 38.000 -0.230 0.000 1.098 210 I HN -0.098 nan 8.210 nan 0.000 0.428 211 F N 0.888 120.931 119.950 0.155 0.000 2.653 211 F HA 0.082 4.610 4.527 0.001 0.000 0.288 211 F C 2.296 178.415 175.800 0.531 0.000 1.121 211 F CA 0.006 58.179 58.000 0.288 0.000 1.384 211 F CB -0.308 38.668 39.000 -0.039 0.000 1.115 211 F HN -0.106 nan 8.300 nan 0.000 0.599 212 K N 0.689 121.436 120.400 0.577 0.000 2.228 212 K HA -0.133 4.187 4.320 0.001 0.000 0.205 212 K C 2.190 178.879 176.600 0.149 0.000 1.045 212 K CA 1.664 58.139 56.287 0.314 0.000 0.931 212 K CB -1.190 31.406 32.500 0.161 0.000 0.727 212 K HN 0.274 nan 8.250 nan 0.000 0.458 213 G N 0.566 109.437 108.800 0.118 0.000 2.442 213 G HA2 -0.186 3.774 3.960 0.001 0.000 0.219 213 G HA3 -0.186 3.774 3.960 0.001 0.000 0.219 213 G C 0.741 175.253 174.900 -0.647 0.000 1.141 213 G CA 0.779 45.706 45.100 -0.287 0.000 0.763 213 G HN 0.426 nan 8.290 nan 0.000 0.554 214 F N -1.463 118.631 119.950 0.240 0.000 2.825 214 F HA 0.508 5.035 4.527 0.001 0.000 0.322 214 F C -0.632 175.017 175.800 -0.253 0.000 1.127 214 F CA -0.997 56.992 58.000 -0.019 0.000 1.164 214 F CB 0.642 39.560 39.000 -0.137 0.000 1.101 214 F HN -0.158 nan 8.300 nan 0.000 0.529 215 F N 0.153 120.285 119.950 0.304 0.000 2.578 215 F HA 0.469 4.997 4.527 0.001 0.000 0.311 215 F C -0.386 175.456 175.800 0.070 0.000 1.094 215 F CA -1.470 56.713 58.000 0.305 0.000 0.923 215 F CB 1.274 40.603 39.000 0.549 0.000 1.230 215 F HN -0.261 nan 8.300 nan 0.000 0.450 216 D N 2.109 122.623 120.400 0.190 0.000 2.193 216 D HA 0.474 5.114 4.640 0.001 0.000 0.244 216 D C -1.091 175.234 176.300 0.043 0.000 1.064 216 D CA 0.141 54.100 54.000 -0.068 0.000 0.845 216 D CB 1.770 42.555 40.800 -0.025 0.000 1.148 216 D HN 0.484 nan 8.370 nan 0.000 0.464 217 Y N -1.347 118.993 120.300 0.068 0.000 2.641 217 Y HA 0.299 4.849 4.550 0.001 0.000 0.333 217 Y C -0.161 175.743 175.900 0.007 0.000 1.174 217 Y CA -1.015 57.101 58.100 0.027 0.000 1.057 217 Y CB 0.686 39.146 38.460 0.001 0.000 1.322 217 Y HN 0.002 nan 8.280 nan 0.000 0.457 218 D N 1.158 121.687 120.400 0.213 0.000 2.262 218 D HA 0.409 5.049 4.640 0.001 0.000 0.212 218 D C 0.282 176.677 176.300 0.158 0.000 0.964 218 D CA 1.365 55.443 54.000 0.131 0.000 0.875 218 D CB 0.646 41.490 40.800 0.073 0.000 0.996 218 D HN 0.704 nan 8.370 nan 0.000 0.497 219 A N 0.195 123.104 122.820 0.148 0.000 2.594 219 A HA 0.668 4.988 4.320 0.001 0.000 0.295 219 A C -1.716 175.806 177.584 -0.104 0.000 1.071 219 A CA -0.599 51.468 52.037 0.049 0.000 0.685 219 A CB 1.298 20.313 19.000 0.024 0.000 1.285 219 A HN 0.053 nan 8.150 nan 0.000 0.405 220 L N 2.198 123.307 121.223 -0.190 0.000 2.376 220 L HA 0.479 4.820 4.340 0.001 0.000 0.275 220 L C -0.980 175.761 176.870 -0.214 0.000 0.987 220 L CA -0.786 53.843 54.840 -0.352 0.000 0.828 220 L CB 2.021 43.763 42.059 -0.528 0.000 1.249 220 L HN 0.654 nan 8.230 nan 0.000 0.409 221 N N 2.463 121.062 118.700 -0.168 0.000 2.284 221 N HA 0.722 5.463 4.740 0.001 0.000 0.300 221 N C -0.881 174.485 175.510 -0.241 0.000 1.047 221 N CA -0.419 52.530 53.050 -0.169 0.000 0.821 221 N CB 2.683 41.176 38.487 0.010 0.000 1.337 221 N HN 0.622 nan 8.380 nan 0.000 0.482 222 A N 1.870 124.424 122.820 -0.443 0.000 2.350 222 A HA 0.783 5.103 4.320 0.001 0.000 0.324 222 A C -1.609 175.573 177.584 -0.670 0.000 1.118 222 A CA -0.469 51.370 52.037 -0.330 0.000 0.783 222 A CB 0.730 19.649 19.000 -0.135 0.000 1.236 222 A HN 0.617 nan 8.150 nan 0.000 0.457 223 Y N 0.780 121.128 120.300 0.080 0.000 2.386 223 Y HA 0.436 4.986 4.550 0.001 0.000 0.334 223 Y C 0.691 176.680 175.900 0.148 0.000 1.002 223 Y CA -0.551 57.608 58.100 0.097 0.000 1.068 223 Y CB 2.117 40.643 38.460 0.109 0.000 1.203 223 Y HN 0.779 nan 8.280 nan 0.000 0.443 224 S N 4.042 119.890 115.700 0.247 0.000 2.585 224 S HA 0.755 5.225 4.470 0.001 0.000 0.273 224 S C -0.326 174.550 174.600 0.460 0.000 1.339 224 S CA -0.558 57.819 58.200 0.295 0.000 1.028 224 S CB 0.836 64.124 63.200 0.147 0.000 0.906 224 S HN 0.754 nan 8.310 nan 0.000 0.528 225 M N 0.188 120.060 119.600 0.454 0.000 2.578 225 M HA 0.701 5.182 4.480 0.001 0.000 0.276 225 M C -1.374 175.091 176.300 0.275 0.000 1.245 225 M CA -0.803 54.712 55.300 0.358 0.000 0.871 225 M CB 2.099 34.983 32.600 0.474 0.000 1.722 225 M HN 0.730 nan 8.290 nan 0.000 0.473 226 K N 2.112 122.586 120.400 0.124 0.000 2.525 226 K HA 0.655 4.975 4.320 0.001 0.000 0.254 226 K C -2.209 174.508 176.600 0.196 0.000 0.934 226 K CA -0.648 55.722 56.287 0.138 0.000 0.802 226 K CB 2.744 35.216 32.500 -0.047 0.000 1.295 226 K HN 1.018 nan 8.250 nan 0.000 0.433 227 M N 2.921 122.646 119.600 0.208 0.000 2.436 227 M HA 0.457 4.937 4.480 0.001 0.000 0.331 227 M C -1.409 174.959 176.300 0.113 0.000 1.135 227 M CA -0.088 55.304 55.300 0.153 0.000 0.987 227 M CB 2.222 34.863 32.600 0.068 0.000 1.687 227 M HN 0.692 nan 8.290 nan 0.000 0.445 228 T N 2.934 117.535 114.554 0.078 0.000 2.896 228 T HA 0.603 4.953 4.350 0.001 0.000 0.297 228 T C -1.466 173.259 174.700 0.041 0.000 1.108 228 T CA -0.761 61.380 62.100 0.068 0.000 1.004 228 T CB 2.112 71.015 68.868 0.059 0.000 1.159 228 T HN 0.759 nan 8.240 nan 0.000 0.499 229 R N 0.906 121.435 120.500 0.049 0.000 2.575 229 R HA 0.462 4.802 4.340 0.001 0.000 0.293 229 R C -1.318 175.013 176.300 0.051 0.000 0.983 229 R CA -0.612 55.505 56.100 0.027 0.000 0.887 229 R CB 1.061 31.368 30.300 0.012 0.000 1.184 229 R HN 0.567 nan 8.270 nan 0.000 0.445 230 D N 1.944 122.371 120.400 0.045 0.000 2.472 230 D HA 0.105 4.746 4.640 0.001 0.000 0.237 230 D C -0.186 176.159 176.300 0.075 0.000 1.141 230 D CA 0.823 54.867 54.000 0.074 0.000 0.875 230 D CB 0.914 41.755 40.800 0.069 0.000 1.192 230 D HN 0.604 nan 8.370 nan 0.000 0.450 231 A N 2.682 125.561 122.820 0.098 0.000 2.498 231 A HA 0.069 4.389 4.320 0.001 0.000 0.239 231 A C 0.168 177.800 177.584 0.080 0.000 1.068 231 A CA -0.307 51.784 52.037 0.090 0.000 0.766 231 A CB 0.040 19.123 19.000 0.139 0.000 1.003 231 A HN 0.575 nan 8.150 nan 0.000 0.497 232 E N 1.251 121.479 120.200 0.047 0.000 2.606 232 E HA -0.099 4.251 4.350 0.001 0.000 0.248 232 E C -0.630 176.021 176.600 0.085 0.000 1.005 232 E CA 0.293 56.725 56.400 0.053 0.000 0.946 232 E CB 0.010 29.709 29.700 -0.001 0.000 0.928 232 E HN 0.552 nan 8.360 nan 0.000 0.494 233 Y N 5.007 125.312 120.300 0.008 0.000 2.854 233 Y HA -0.164 4.386 4.550 0.001 0.000 0.372 233 Y C -0.077 175.830 175.900 0.012 0.000 1.330 233 Y CA 0.780 58.889 58.100 0.013 0.000 1.765 233 Y CB -0.098 38.365 38.460 0.005 0.000 1.277 233 Y HN 0.527 nan 8.280 nan 0.000 0.498 234 D N 3.311 123.582 120.400 -0.214 0.000 2.412 234 D HA -0.011 4.630 4.640 0.001 0.000 0.298 234 D C 1.834 178.145 176.300 0.018 0.000 1.136 234 D CA 0.267 54.142 54.000 -0.209 0.000 0.988 234 D CB 0.072 40.829 40.800 -0.072 0.000 1.712 234 D HN 0.615 nan 8.370 nan 0.000 0.503 235 L N 1.345 122.588 121.223 0.033 0.000 2.353 235 L HA -0.054 4.286 4.340 0.001 0.000 0.220 235 L C 2.206 179.087 176.870 0.019 0.000 1.133 235 L CA 0.556 55.413 54.840 0.029 0.000 0.798 235 L CB -0.005 42.077 42.059 0.039 0.000 0.922 235 L HN -0.061 nan 8.230 nan 0.000 0.445 236 V N -0.786 119.200 119.914 0.120 0.000 3.052 236 V HA -0.163 3.957 4.120 0.001 0.000 0.254 236 V C 2.178 178.403 176.094 0.217 0.000 1.100 236 V CA 1.175 63.593 62.300 0.197 0.000 1.112 236 V CB -0.691 31.356 31.823 0.373 0.000 0.738 236 V HN 0.594 nan 8.190 nan 0.000 0.469 237 H N 0.497 119.582 119.070 0.024 0.000 2.533 237 H HA 0.154 4.710 4.556 0.001 0.000 0.271 237 H C 1.075 176.368 175.328 -0.058 0.000 1.000 237 H CA 0.411 56.461 56.048 0.004 0.000 1.149 237 H CB 0.044 29.712 29.762 -0.157 0.000 1.375 237 H HN 0.517 nan 8.280 nan 0.000 0.582 238 E N 0.513 120.436 120.200 -0.462 0.000 2.437 238 E HA 0.145 4.495 4.350 0.001 0.000 0.189 238 E C 0.739 177.033 176.600 -0.509 0.000 1.054 238 E CA -0.023 56.086 56.400 -0.484 0.000 0.874 238 E CB 0.438 29.943 29.700 -0.325 0.000 1.011 238 E HN 0.523 nan 8.360 nan 0.000 0.474 239 M N -0.439 118.931 119.600 -0.382 0.000 2.139 239 M HA 0.097 4.577 4.480 0.001 0.000 0.343 239 M C -0.251 175.966 176.300 -0.138 0.000 0.886 239 M CA 0.063 55.101 55.300 -0.435 0.000 1.134 239 M CB 1.088 33.458 32.600 -0.383 0.000 2.064 239 M HN -0.084 nan 8.290 nan 0.000 0.699 240 E N 1.974 122.142 120.200 -0.053 0.000 1.985 240 E HA 0.248 4.598 4.350 0.001 0.000 0.268 240 E C 0.500 177.126 176.600 0.044 0.000 1.219 240 E CA -0.266 56.147 56.400 0.022 0.000 0.942 240 E CB 0.797 30.542 29.700 0.075 0.000 1.045 240 E HN 0.336 nan 8.360 nan 0.000 0.413 241 A N 2.678 125.533 122.820 0.058 0.000 2.134 241 A HA -0.062 4.259 4.320 0.001 0.000 0.223 241 A C 2.029 179.646 177.584 0.056 0.000 1.738 241 A CA 0.560 52.641 52.037 0.074 0.000 0.722 241 A CB -0.406 18.655 19.000 0.101 0.000 1.346 241 A HN 0.526 nan 8.150 nan 0.000 0.557 242 S N -0.275 115.454 115.700 0.048 0.000 2.489 242 S HA 0.115 4.586 4.470 0.001 0.000 0.228 242 S C 1.730 176.349 174.600 0.032 0.000 0.995 242 S CA 0.919 59.141 58.200 0.037 0.000 0.934 242 S CB -0.382 62.838 63.200 0.032 0.000 0.771 242 S HN 0.363 nan 8.310 nan 0.000 0.522 243 L N 0.013 121.257 121.223 0.034 0.000 2.102 243 L HA 0.273 4.613 4.340 0.001 0.000 0.202 243 L C 2.691 179.582 176.870 0.034 0.000 1.076 243 L CA 1.069 55.926 54.840 0.028 0.000 0.761 243 L CB -0.263 41.810 42.059 0.024 0.000 0.921 243 L HN 0.358 nan 8.230 nan 0.000 0.444 244 M N -0.611 119.019 119.600 0.049 0.000 2.563 244 M HA -0.064 4.417 4.480 0.001 0.000 0.231 244 M C 1.484 177.817 176.300 0.055 0.000 1.136 244 M CA 0.545 55.882 55.300 0.061 0.000 1.026 244 M CB 0.201 32.857 32.600 0.094 0.000 1.597 244 M HN 0.196 nan 8.290 nan 0.000 0.495 245 E N 0.145 120.373 120.200 0.046 0.000 2.474 245 E HA 0.027 4.378 4.350 0.001 0.000 0.194 245 E C 0.792 177.411 176.600 0.032 0.000 1.041 245 E CA 0.386 56.811 56.400 0.041 0.000 0.874 245 E CB 0.542 30.266 29.700 0.039 0.000 0.914 245 E HN 0.527 nan 8.360 nan 0.000 0.498 246 L N 0.715 121.955 121.223 0.028 0.000 3.410 246 L HA 0.311 4.652 4.340 0.001 0.000 0.309 246 L C 0.383 177.263 176.870 0.017 0.000 1.254 246 L CA -0.407 54.446 54.840 0.020 0.000 1.048 246 L CB 0.508 42.577 42.059 0.017 0.000 1.442 246 L HN 0.115 nan 8.230 nan 0.000 0.615 247 M N 1.861 121.474 119.600 0.022 0.000 2.252 247 M HA 0.119 4.600 4.480 0.001 0.000 0.329 247 M C 0.718 177.022 176.300 0.007 0.000 1.101 247 M CA 0.419 55.728 55.300 0.015 0.000 1.117 247 M CB 0.855 33.471 32.600 0.026 0.000 1.563 247 M HN 0.295 nan 8.290 nan 0.000 0.445 248 S N 2.344 118.042 115.700 -0.004 0.000 2.632 248 S HA 0.271 4.741 4.470 0.001 0.000 0.271 248 S C 0.764 175.355 174.600 -0.015 0.000 1.260 248 S CA -0.371 57.823 58.200 -0.010 0.000 1.010 248 S CB 1.243 64.433 63.200 -0.017 0.000 0.965 248 S HN 0.792 nan 8.310 nan 0.000 0.534 249 S N -0.239 115.452 115.700 -0.015 0.000 2.593 249 S HA 0.028 4.498 4.470 0.001 0.000 0.217 249 S C 1.205 175.786 174.600 -0.032 0.000 0.966 249 S CA 0.160 58.350 58.200 -0.018 0.000 0.914 249 S CB -0.655 62.538 63.200 -0.012 0.000 0.776 249 S HN 0.900 nan 8.310 nan 0.000 0.523 250 S N 0.176 115.852 115.700 -0.039 0.000 2.539 250 S HA 0.376 4.847 4.470 0.001 0.000 0.221 250 S C 1.031 175.589 174.600 -0.070 0.000 0.987 250 S CA -0.485 57.684 58.200 -0.053 0.000 0.929 250 S CB -0.169 63.003 63.200 -0.047 0.000 0.832 250 S HN 0.476 nan 8.310 nan 0.000 0.492 251 L N 1.109 122.292 121.223 -0.066 0.000 2.701 251 L HA 0.360 4.700 4.340 0.001 0.000 0.238 251 L C 2.026 178.832 176.870 -0.107 0.000 1.106 251 L CA 0.264 55.053 54.840 -0.085 0.000 0.898 251 L CB 0.181 42.202 42.059 -0.063 0.000 1.188 251 L HN 0.382 nan 8.230 nan 0.000 0.508 252 K N -1.277 119.077 120.400 -0.077 0.000 2.242 252 K HA -0.076 4.244 4.320 0.001 0.000 0.200 252 K C 1.795 178.346 176.600 -0.082 0.000 1.050 252 K CA 0.325 56.571 56.287 -0.068 0.000 0.981 252 K CB -0.089 32.403 32.500 -0.014 0.000 0.795 252 K HN 0.087 nan 8.250 nan 0.000 0.477 253 Q N 1.412 121.165 119.800 -0.077 0.000 2.424 253 Q HA 0.047 4.387 4.340 0.001 0.000 0.204 253 Q C 1.572 177.501 176.000 -0.119 0.000 0.933 253 Q CA 0.536 56.294 55.803 -0.075 0.000 0.929 253 Q CB 0.390 29.091 28.738 -0.061 0.000 1.037 253 Q HN 0.377 nan 8.270 nan 0.000 0.511 254 R N -0.548 119.864 120.500 -0.146 0.000 2.290 254 R HA 0.193 4.534 4.340 0.001 0.000 0.197 254 R C 1.634 177.814 176.300 -0.199 0.000 0.913 254 R CA 0.011 56.000 56.100 -0.186 0.000 1.040 254 R CB 0.445 30.647 30.300 -0.163 0.000 0.992 254 R HN 0.220 nan 8.270 nan 0.000 0.500 255 L N -0.878 120.198 121.223 -0.246 0.000 2.425 255 L HA 0.126 4.467 4.340 0.001 0.000 0.215 255 L C 1.296 177.879 176.870 -0.478 0.000 1.065 255 L CA 0.677 55.274 54.840 -0.405 0.000 0.842 255 L CB 0.552 42.254 42.059 -0.595 0.000 1.033 255 L HN 0.100 nan 8.230 nan 0.000 0.474 256 T N -0.059 114.322 114.554 -0.287 0.000 3.067 256 T HA 0.162 4.512 4.350 0.001 0.000 0.257 256 T C 0.953 175.677 174.700 0.040 0.000 1.105 256 T CA 0.322 62.398 62.100 -0.042 0.000 1.104 256 T CB -0.020 68.897 68.868 0.082 0.000 0.925 256 T HN 0.228 nan 8.240 nan 0.000 0.498 257 A N 3.688 126.520 122.820 0.020 0.000 2.541 257 A HA 0.203 4.523 4.320 0.001 0.000 0.293 257 A C 0.498 178.235 177.584 0.255 0.000 1.307 257 A CA -0.421 51.696 52.037 0.134 0.000 0.978 257 A CB -0.578 18.465 19.000 0.071 0.000 1.111 257 A HN 0.607 nan 8.150 nan 0.000 0.535 258 E N 4.649 124.948 120.200 0.165 0.000 2.129 258 E HA 0.327 4.677 4.350 0.001 0.000 0.283 258 E C -2.436 174.178 176.600 0.023 0.000 1.080 258 E CA -1.821 54.646 56.400 0.112 0.000 0.867 258 E CB 0.619 30.365 29.700 0.076 0.000 1.056 258 E HN 0.481 nan 8.360 nan 0.000 0.404 259 P HA 0.007 nan 4.420 nan 0.000 0.272 259 P C -0.441 176.732 177.300 -0.211 0.000 1.254 259 P CA -0.463 62.383 63.100 -0.423 0.000 0.795 259 P CB 0.827 32.232 31.700 -0.491 0.000 1.022 260 V N 0.977 120.753 119.914 -0.231 0.000 2.588 260 V HA 0.391 4.512 4.120 0.001 0.000 0.304 260 V C 0.626 176.683 176.094 -0.062 0.000 1.042 260 V CA -0.696 61.537 62.300 -0.111 0.000 0.877 260 V CB 1.743 33.500 31.823 -0.111 0.000 0.996 260 V HN 0.480 nan 8.190 nan 0.000 0.425 261 R N 3.011 123.505 120.500 -0.010 0.000 2.643 261 R HA 0.705 5.045 4.340 0.001 0.000 0.272 261 R C -1.429 174.950 176.300 0.131 0.000 0.995 261 R CA -0.611 55.500 56.100 0.018 0.000 1.032 261 R CB 2.113 32.388 30.300 -0.043 0.000 1.126 261 R HN 0.610 nan 8.270 nan 0.000 0.505 262 F N 1.090 120.999 119.950 -0.069 0.000 2.991 262 F HA 0.276 4.803 4.527 0.001 0.000 0.355 262 F C -1.866 173.938 175.800 0.005 0.000 1.262 262 F CA -0.739 57.237 58.000 -0.041 0.000 1.127 262 F CB 0.804 39.778 39.000 -0.043 0.000 1.447 262 F HN 0.124 nan 8.300 nan 0.000 0.584 263 V N 6.903 126.669 119.914 -0.247 0.000 2.532 263 V HA 0.557 4.678 4.120 0.001 0.000 0.295 263 V C -0.799 175.048 176.094 -0.412 0.000 1.041 263 V CA -0.543 61.505 62.300 -0.419 0.000 0.926 263 V CB 1.352 32.929 31.823 -0.410 0.000 0.992 263 V HN 0.712 nan 8.190 nan 0.000 0.457 264 Y N 0.857 120.877 120.300 -0.468 0.000 2.553 264 Y HA 0.626 5.176 4.550 0.001 0.000 0.347 264 Y C -0.325 175.594 175.900 0.030 0.000 1.019 264 Y CA -1.654 56.336 58.100 -0.182 0.000 1.032 264 Y CB 1.218 39.501 38.460 -0.296 0.000 1.284 264 Y HN 0.601 nan 8.280 nan 0.000 0.466 265 Q N 2.747 122.676 119.800 0.215 0.000 2.286 265 Q HA 0.109 4.449 4.340 0.001 0.000 0.290 265 Q C 0.788 176.798 176.000 0.016 0.000 1.049 265 Q CA 0.176 56.048 55.803 0.114 0.000 0.923 265 Q CB 0.751 29.622 28.738 0.222 0.000 1.183 265 Q HN 0.938 nan 8.270 nan 0.000 0.383 266 R N 2.453 122.900 120.500 -0.089 0.000 2.113 266 R HA -0.223 4.117 4.340 0.001 0.000 0.244 266 R C 1.190 177.521 176.300 0.051 0.000 1.142 266 R CA 2.171 58.221 56.100 -0.083 0.000 0.953 266 R CB -0.253 30.013 30.300 -0.057 0.000 0.860 266 R HN 0.761 nan 8.270 nan 0.000 0.438 267 D N 0.713 121.183 120.400 0.117 0.000 2.350 267 D HA -0.145 4.496 4.640 0.001 0.000 0.216 267 D C 0.887 177.132 176.300 -0.092 0.000 0.968 267 D CA 0.207 54.283 54.000 0.126 0.000 0.894 267 D CB -0.262 40.717 40.800 0.298 0.000 0.909 267 D HN 0.258 nan 8.370 nan 0.000 0.520 268 M N 2.087 121.595 119.600 -0.152 0.000 2.487 268 M HA -0.004 4.477 4.480 0.001 0.000 0.398 268 M C -2.330 173.724 176.300 -0.410 0.000 1.685 268 M CA -0.671 54.280 55.300 -0.583 0.000 0.988 268 M CB 0.369 32.924 32.600 -0.075 0.000 2.129 268 M HN -0.300 nan 8.290 nan 0.000 0.485 269 P HA -0.072 nan 4.420 nan 0.000 0.265 269 P C 0.130 177.324 177.300 -0.177 0.000 1.187 269 P CA 0.263 63.223 63.100 -0.233 0.000 0.766 269 P CB 0.388 31.991 31.700 -0.162 0.000 0.820 270 N N 2.802 121.441 118.700 -0.101 0.000 2.094 270 N HA -0.276 4.464 4.740 0.001 0.000 0.191 270 N C 1.531 176.981 175.510 -0.100 0.000 1.023 270 N CA 1.434 54.428 53.050 -0.094 0.000 0.857 270 N CB -0.135 38.324 38.487 -0.048 0.000 1.013 270 N HN 0.421 nan 8.380 nan 0.000 0.426 271 A N 1.910 124.697 122.820 -0.055 0.000 1.892 271 A HA -0.179 4.141 4.320 0.001 0.000 0.218 271 A C 2.321 179.837 177.584 -0.112 0.000 1.188 271 A CA 1.169 53.195 52.037 -0.019 0.000 0.631 271 A CB -0.985 18.067 19.000 0.087 0.000 0.822 271 A HN 0.443 nan 8.150 nan 0.000 0.447 272 L N -0.180 120.902 121.223 -0.236 0.000 1.994 272 L HA -0.175 4.166 4.340 0.001 0.000 0.208 272 L C 2.527 179.177 176.870 -0.366 0.000 1.071 272 L CA 1.763 56.277 54.840 -0.545 0.000 0.745 272 L CB -0.354 41.356 42.059 -0.582 0.000 0.892 272 L HN 0.293 nan 8.230 nan 0.000 0.431 273 V N -0.052 119.681 119.914 -0.301 0.000 2.380 273 V HA -0.304 3.816 4.120 0.001 0.000 0.251 273 V C 2.500 178.478 176.094 -0.193 0.000 1.063 273 V CA 1.907 64.026 62.300 -0.301 0.000 1.055 273 V CB -0.666 30.901 31.823 -0.427 0.000 0.657 273 V HN 0.501 nan 8.190 nan 0.000 0.455 274 E N -0.076 120.026 120.200 -0.163 0.000 2.107 274 E HA -0.113 4.237 4.350 0.001 0.000 0.191 274 E C 2.345 178.874 176.600 -0.119 0.000 0.982 274 E CA 1.112 57.446 56.400 -0.110 0.000 0.809 274 E CB -0.314 29.342 29.700 -0.073 0.000 0.756 274 E HN 0.530 nan 8.360 nan 0.000 0.459 275 V N 1.964 121.786 119.914 -0.154 0.000 2.261 275 V HA -0.259 3.861 4.120 0.001 0.000 0.246 275 V C 2.567 178.551 176.094 -0.184 0.000 1.047 275 V CA 1.525 63.737 62.300 -0.147 0.000 1.015 275 V CB -0.642 31.053 31.823 -0.213 0.000 0.642 275 V HN 0.195 nan 8.190 nan 0.000 0.446 276 L N -0.854 120.219 121.223 -0.249 0.000 2.083 276 L HA -0.179 4.162 4.340 0.001 0.000 0.209 276 L C 2.801 179.457 176.870 -0.357 0.000 1.083 276 L CA 1.553 56.189 54.840 -0.340 0.000 0.752 276 L CB -0.715 41.103 42.059 -0.402 0.000 0.899 276 L HN 0.228 nan 8.230 nan 0.000 0.433 277 R N 0.423 120.784 120.500 -0.232 0.000 2.082 277 R HA -0.198 4.143 4.340 0.001 0.000 0.234 277 R C 2.232 178.444 176.300 -0.147 0.000 1.136 277 R CA 1.951 57.955 56.100 -0.160 0.000 0.935 277 R CB -0.373 29.883 30.300 -0.073 0.000 0.842 277 R HN 0.463 nan 8.270 nan 0.000 0.430 278 E N 0.113 120.244 120.200 -0.116 0.000 2.118 278 E HA -0.181 4.169 4.350 0.001 0.000 0.195 278 E C 1.990 178.527 176.600 -0.106 0.000 0.992 278 E CA 0.971 57.318 56.400 -0.088 0.000 0.804 278 E CB 0.094 29.757 29.700 -0.063 0.000 0.741 278 E HN 0.125 nan 8.360 nan 0.000 0.458 279 K N 0.288 120.601 120.400 -0.145 0.000 2.155 279 K HA -0.042 4.279 4.320 0.001 0.000 0.203 279 K C 1.750 178.236 176.600 -0.191 0.000 1.052 279 K CA 0.750 56.943 56.287 -0.157 0.000 0.948 279 K CB 0.047 32.435 32.500 -0.187 0.000 0.728 279 K HN 0.220 nan 8.250 nan 0.000 0.448 280 L N 1.396 122.478 121.223 -0.235 0.000 2.700 280 L HA 0.082 4.422 4.340 0.001 0.000 0.234 280 L C -0.326 176.447 176.870 -0.162 0.000 1.156 280 L CA -0.164 54.532 54.840 -0.240 0.000 0.946 280 L CB -0.376 41.469 42.059 -0.357 0.000 1.216 280 L HN 0.047 nan 8.230 nan 0.000 0.493 281 T N 0.982 115.464 114.554 -0.119 0.000 3.549 281 T HA -0.222 4.129 4.350 0.001 0.000 0.398 281 T C 0.418 175.078 174.700 -0.066 0.000 0.766 281 T CA 0.510 62.566 62.100 -0.072 0.000 2.007 281 T CB -1.780 67.057 68.868 -0.051 0.000 1.727 281 T HN 0.248 nan 8.240 nan 0.000 0.693 282 I N 2.434 122.963 120.570 -0.069 0.000 2.349 282 I HA 0.079 4.250 4.170 0.001 0.000 0.302 282 I C 1.601 177.712 176.117 -0.010 0.000 1.180 282 I CA -0.389 60.882 61.300 -0.048 0.000 1.405 282 I CB -0.027 37.959 38.000 -0.022 0.000 1.474 282 I HN 0.554 nan 8.210 nan 0.000 0.632 283 S N 6.477 122.182 115.700 0.008 0.000 2.536 283 S HA 0.081 4.551 4.470 0.001 0.000 0.248 283 S C 1.497 176.161 174.600 0.107 0.000 1.287 283 S CA -0.275 57.977 58.200 0.088 0.000 0.978 283 S CB 0.275 63.606 63.200 0.218 0.000 0.992 283 S HN 0.743 nan 8.310 nan 0.000 0.539 284 R N 0.173 120.783 120.500 0.184 0.000 2.075 284 R HA -0.024 4.316 4.340 0.001 0.000 0.226 284 R C 1.885 178.312 176.300 0.212 0.000 1.114 284 R CA 1.354 57.548 56.100 0.157 0.000 0.972 284 R CB -0.959 29.412 30.300 0.118 0.000 0.869 284 R HN 0.815 nan 8.270 nan 0.000 0.437 285 Y N 0.288 120.593 120.300 0.008 0.000 2.470 285 Y HA 0.430 4.981 4.550 0.001 0.000 0.284 285 Y C -0.894 175.022 175.900 0.027 0.000 1.188 285 Y CA -2.019 56.089 58.100 0.014 0.000 1.269 285 Y CB -0.441 38.019 38.460 0.000 0.000 1.094 285 Y HN -0.125 nan 8.280 nan 0.000 0.518 286 D N 0.296 120.596 120.400 -0.166 0.000 2.268 286 D HA 0.403 5.043 4.640 0.001 0.000 0.249 286 D C -0.789 175.486 176.300 -0.042 0.000 1.008 286 D CA -0.419 53.461 54.000 -0.200 0.000 0.939 286 D CB 1.977 42.662 40.800 -0.193 0.000 1.170 286 D HN 0.095 nan 8.370 nan 0.000 0.468 287 S N 0.212 115.902 115.700 -0.018 0.000 2.521 287 S HA 0.656 5.127 4.470 0.001 0.000 0.295 287 S C -1.217 173.406 174.600 0.038 0.000 1.098 287 S CA -0.677 57.531 58.200 0.013 0.000 0.999 287 S CB 0.375 63.574 63.200 -0.002 0.000 1.034 287 S HN 0.223 nan 8.310 nan 0.000 0.483 288 I N 4.088 124.682 120.570 0.040 0.000 2.362 288 I HA 0.540 4.710 4.170 0.001 0.000 0.289 288 I C -0.797 175.317 176.117 -0.005 0.000 0.994 288 I CA -0.551 60.767 61.300 0.030 0.000 1.158 288 I CB 1.704 39.747 38.000 0.072 0.000 1.315 288 I HN 0.305 nan 8.210 nan 0.000 0.451 289 V N 7.732 127.586 119.914 -0.099 0.000 2.623 289 V HA 0.517 4.637 4.120 0.001 0.000 0.304 289 V C -2.441 173.377 176.094 -0.460 0.000 1.054 289 V CA -1.446 60.747 62.300 -0.179 0.000 0.882 289 V CB 2.426 34.127 31.823 -0.204 0.000 1.002 289 V HN 0.564 nan 8.190 nan 0.000 0.424 290 P HA 0.426 nan 4.420 nan 0.000 0.287 290 P C 0.080 177.102 177.300 -0.462 0.000 1.281 290 P CA -0.163 62.336 63.100 -1.003 0.000 0.781 290 P CB 1.756 33.038 31.700 -0.698 0.000 0.903 291 G N 1.801 110.395 108.800 -0.343 0.000 4.379 291 G HA2 0.507 4.468 3.960 0.001 0.000 0.243 291 G HA3 0.507 4.468 3.960 0.001 0.000 0.243 291 G C 0.107 175.026 174.900 0.032 0.000 1.009 291 G CA 0.092 45.130 45.100 -0.105 0.000 0.646 291 G HN 0.811 nan 8.290 nan 0.000 0.475 292 G N 0.159 108.941 108.800 -0.031 0.000 2.758 292 G HA2 -0.170 3.790 3.960 0.001 0.000 0.686 292 G HA3 -0.170 3.790 3.960 0.001 0.000 0.686 292 G C 0.626 175.405 174.900 -0.202 0.000 1.389 292 G CA 0.182 45.248 45.100 -0.057 0.000 0.845 292 G HN 0.714 nan 8.290 nan 0.000 0.572 293 R N -0.582 119.717 120.500 -0.334 0.000 2.092 293 R HA 0.063 4.403 4.340 0.001 0.000 0.231 293 R C 0.458 176.252 176.300 -0.843 0.000 1.119 293 R CA 1.424 57.154 56.100 -0.617 0.000 0.970 293 R CB -0.100 29.679 30.300 -0.868 0.000 0.864 293 R HN 0.574 nan 8.270 nan 0.000 0.440 294 Y N -0.017 120.101 120.300 -0.303 0.000 2.393 294 Y HA 0.406 4.956 4.550 0.001 0.000 0.341 294 Y C -0.004 175.614 175.900 -0.471 0.000 0.988 294 Y CA -1.307 56.544 58.100 -0.415 0.000 1.078 294 Y CB 1.475 39.695 38.460 -0.401 0.000 1.203 294 Y HN 0.015 nan 8.280 nan 0.000 0.453 295 H N 0.810 119.939 119.070 0.099 0.000 2.797 295 H HA 0.343 4.899 4.556 0.001 0.000 0.362 295 H C -0.322 175.028 175.328 0.036 0.000 1.183 295 H CA -1.391 54.717 56.048 0.100 0.000 1.197 295 H CB 1.506 31.325 29.762 0.094 0.000 1.835 295 H HN 0.656 nan 8.280 nan 0.000 0.567 296 N N 0.402 119.237 118.700 0.225 0.000 2.746 296 N HA -0.185 4.556 4.740 0.001 0.000 0.250 296 N C 0.247 175.842 175.510 0.141 0.000 1.055 296 N CA 0.266 53.407 53.050 0.151 0.000 0.699 296 N CB -1.551 36.986 38.487 0.084 0.000 0.919 296 N HN 0.507 nan 8.380 nan 0.000 0.548 297 F N 0.672 120.685 119.950 0.106 0.000 2.641 297 F HA -0.081 4.446 4.527 0.001 0.000 0.298 297 F C 2.188 178.103 175.800 0.191 0.000 1.146 297 F CA 0.977 59.003 58.000 0.043 0.000 1.464 297 F CB 0.206 39.157 39.000 -0.082 0.000 1.101 297 F HN 0.269 nan 8.300 nan 0.000 0.585 298 K N -0.875 119.724 120.400 0.331 0.000 2.555 298 K HA -0.104 4.216 4.320 0.001 0.000 0.193 298 K C 0.639 177.434 176.600 0.325 0.000 1.032 298 K CA 1.238 57.705 56.287 0.298 0.000 1.004 298 K CB -0.212 32.413 32.500 0.208 0.000 0.804 298 K HN 0.107 nan 8.250 nan 0.000 0.496 299 D N 0.582 121.212 120.400 0.383 0.000 2.323 299 D HA -0.013 4.627 4.640 0.001 0.000 0.209 299 D C 0.859 177.475 176.300 0.526 0.000 0.973 299 D CA 0.446 54.660 54.000 0.358 0.000 0.874 299 D CB -0.093 40.850 40.800 0.238 0.000 0.930 299 D HN 0.177 nan 8.370 nan 0.000 0.521 300 F N 0.640 120.810 119.950 0.367 0.000 2.546 300 F HA 0.059 4.586 4.527 0.001 0.000 0.298 300 F C 2.015 177.982 175.800 0.279 0.000 1.120 300 F CA 0.085 58.326 58.000 0.402 0.000 1.456 300 F CB -0.478 38.745 39.000 0.372 0.000 1.088 300 F HN 0.004 nan 8.300 nan 0.000 0.572 301 I N -0.030 120.775 120.570 0.393 0.000 2.454 301 I HA -0.289 3.882 4.170 0.001 0.000 0.254 301 I C 0.876 177.098 176.117 0.175 0.000 1.156 301 I CA 1.222 62.666 61.300 0.240 0.000 1.433 301 I CB -0.294 37.828 38.000 0.202 0.000 1.082 301 I HN 0.094 nan 8.210 nan 0.000 0.432 302 N N 0.403 119.220 118.700 0.196 0.000 2.389 302 N HA 0.106 4.846 4.740 0.001 0.000 0.260 302 N C -0.277 175.266 175.510 0.055 0.000 1.191 302 N CA -0.222 52.898 53.050 0.117 0.000 0.885 302 N CB 0.308 38.862 38.487 0.112 0.000 1.162 302 N HN 0.080 nan 8.380 nan 0.000 0.512 303 F N 4.493 124.365 119.950 -0.130 0.000 2.578 303 F HA 0.133 4.661 4.527 0.000 0.000 0.381 303 F C -1.584 174.019 175.800 -0.329 0.000 1.069 303 F CA -1.533 56.201 58.000 -0.443 0.000 1.231 303 F CB 0.548 39.274 39.000 -0.457 0.000 1.086 303 F HN 0.069 nan 8.300 nan 0.000 0.564 304 P HA -0.013 nan 4.420 nan 0.000 0.271 304 P C -1.157 175.923 177.300 -0.368 0.000 1.218 304 P CA -0.287 62.509 63.100 -0.507 0.000 0.780 304 P CB 0.713 32.092 31.700 -0.534 0.000 0.901 305 N N 2.539 121.135 118.700 -0.174 0.000 2.645 305 N HA 0.080 4.820 4.740 0.001 0.000 0.233 305 N C 0.829 176.277 175.510 -0.103 0.000 1.058 305 N CA -0.225 52.772 53.050 -0.089 0.000 0.942 305 N CB -0.214 38.242 38.487 -0.050 0.000 1.210 305 N HN -0.021 nan 8.380 nan 0.000 0.512 306 V N 2.330 122.174 119.914 -0.117 0.000 2.358 306 V HA 0.019 4.139 4.120 0.001 0.000 0.246 306 V C 1.812 177.868 176.094 -0.065 0.000 1.047 306 V CA 1.955 64.194 62.300 -0.102 0.000 1.035 306 V CB -0.995 30.764 31.823 -0.106 0.000 0.658 306 V HN 0.683 nan 8.190 nan 0.000 0.452 307 G N -0.383 108.386 108.800 -0.052 0.000 2.580 307 G HA2 0.142 4.103 3.960 0.001 0.000 0.225 307 G HA3 0.142 4.103 3.960 0.001 0.000 0.225 307 G C 0.066 174.942 174.900 -0.039 0.000 1.521 307 G CA -0.430 44.644 45.100 -0.044 0.000 1.068 307 G HN 0.360 nan 8.290 nan 0.000 0.564 308 K N -0.717 119.662 120.400 -0.036 0.000 2.098 308 K HA 0.441 4.762 4.320 0.001 0.000 0.244 308 K C 1.436 178.017 176.600 -0.031 0.000 1.014 308 K CA -0.044 56.224 56.287 -0.032 0.000 0.917 308 K CB 1.227 33.709 32.500 -0.029 0.000 1.072 308 K HN 0.319 nan 8.250 nan 0.000 0.477 309 A N 1.509 124.312 122.820 -0.028 0.000 2.139 309 A HA -0.204 4.117 4.320 0.001 0.000 0.221 309 A C 1.503 179.069 177.584 -0.030 0.000 1.159 309 A CA 1.464 53.484 52.037 -0.028 0.000 0.662 309 A CB -0.601 18.384 19.000 -0.024 0.000 0.796 309 A HN 0.706 nan 8.150 nan 0.000 0.463 310 N N 0.294 118.976 118.700 -0.031 0.000 2.149 310 N HA -0.128 4.612 4.740 0.001 0.000 0.188 310 N C 1.402 176.891 175.510 -0.034 0.000 1.019 310 N CA 1.505 54.536 53.050 -0.032 0.000 0.857 310 N CB -0.376 38.091 38.487 -0.033 0.000 0.997 310 N HN 0.575 nan 8.380 nan 0.000 0.426 311 L N 0.703 121.906 121.223 -0.035 0.000 2.551 311 L HA 0.043 4.384 4.340 0.001 0.000 0.228 311 L C 0.332 177.183 176.870 -0.032 0.000 1.153 311 L CA 0.267 55.087 54.840 -0.034 0.000 0.851 311 L CB -0.056 41.984 42.059 -0.032 0.000 0.959 311 L HN -0.146 nan 8.230 nan 0.000 0.451 312 V N -0.938 118.955 119.914 -0.034 0.000 2.876 312 V HA 0.274 4.395 4.120 0.001 0.000 0.312 312 V C -0.090 175.979 176.094 -0.043 0.000 1.085 312 V CA -1.142 61.135 62.300 -0.039 0.000 0.945 312 V CB 2.130 33.932 31.823 -0.036 0.000 1.017 312 V HN 0.072 nan 8.190 nan 0.000 0.428 313 N N 1.974 120.643 118.700 -0.052 0.000 2.395 313 N HA 0.094 4.834 4.740 0.001 0.000 0.246 313 N C -0.457 175.019 175.510 -0.056 0.000 1.246 313 N CA -0.149 52.866 53.050 -0.060 0.000 0.879 313 N CB 0.583 39.023 38.487 -0.078 0.000 1.098 313 N HN 0.570 nan 8.380 nan 0.000 0.444 314 K N 2.019 122.381 120.400 -0.063 0.000 2.258 314 K HA 0.313 4.634 4.320 0.001 0.000 0.284 314 K C -2.147 174.410 176.600 -0.071 0.000 1.051 314 K CA -1.430 54.822 56.287 -0.058 0.000 0.923 314 K CB -0.240 32.224 32.500 -0.060 0.000 1.046 314 K HN 0.361 nan 8.250 nan 0.000 0.474 315 P HA -0.046 nan 4.420 nan 0.000 0.265 315 P C -0.756 176.506 177.300 -0.064 0.000 1.187 315 P CA 0.049 63.132 63.100 -0.029 0.000 0.766 315 P CB 0.578 32.279 31.700 0.002 0.000 0.820 316 L N 4.659 125.855 121.223 -0.045 0.000 2.371 316 L HA 0.287 4.627 4.340 0.001 0.000 0.262 316 L C -2.065 174.904 176.870 0.165 0.000 1.054 316 L CA -2.084 52.668 54.840 -0.147 0.000 0.924 316 L CB 0.871 42.791 42.059 -0.233 0.000 1.295 316 L HN 0.172 nan 8.230 nan 0.000 0.441 317 P HA -0.056 nan 4.420 nan 0.000 0.257 317 P C -0.451 177.036 177.300 0.311 0.000 1.162 317 P CA 0.200 63.431 63.100 0.219 0.000 0.762 317 P CB 0.220 32.034 31.700 0.189 0.000 0.753 318 R N 3.614 124.243 120.500 0.215 0.000 2.480 318 R HA 0.117 4.457 4.340 0.001 0.000 0.303 318 R C 0.262 176.683 176.300 0.200 0.000 0.985 318 R CA -0.257 55.962 56.100 0.200 0.000 1.051 318 R CB -0.256 30.129 30.300 0.140 0.000 0.935 318 R HN 0.459 nan 8.270 nan 0.000 0.410 319 L N 3.293 124.638 121.223 0.202 0.000 2.418 319 L HA 0.339 4.679 4.340 0.001 0.000 0.265 319 L C 0.948 178.044 176.870 0.377 0.000 1.143 319 L CA -0.746 54.229 54.840 0.226 0.000 0.809 319 L CB 0.358 42.488 42.059 0.120 0.000 1.124 319 L HN 0.383 nan 8.230 nan 0.000 0.456 320 R N -0.074 120.642 120.500 0.361 0.000 2.457 320 R HA 0.201 4.542 4.340 0.001 0.000 0.284 320 R C -0.554 176.141 176.300 0.659 0.000 1.024 320 R CA -0.858 55.551 56.100 0.514 0.000 1.025 320 R CB 0.828 31.339 30.300 0.351 0.000 1.063 320 R HN 0.452 nan 8.270 nan 0.000 0.493 321 H N 3.535 123.013 119.070 0.681 0.000 3.109 321 H HA 0.066 4.623 4.556 0.001 0.000 0.266 321 H C 1.324 176.835 175.328 0.304 0.000 1.334 321 H CA -0.360 55.862 56.048 0.290 0.000 1.456 321 H CB 0.027 29.787 29.762 -0.003 0.000 1.587 321 H HN 0.458 nan 8.280 nan 0.000 0.500 322 I N 3.816 124.461 120.570 0.124 0.000 2.285 322 I HA -0.377 3.793 4.170 0.001 0.000 0.253 322 I C 2.442 178.570 176.117 0.018 0.000 1.104 322 I CA 1.145 62.493 61.300 0.079 0.000 1.372 322 I CB -0.977 37.060 38.000 0.062 0.000 1.057 322 I HN 0.753 nan 8.210 nan 0.000 0.431 323 W N 1.119 122.181 121.300 -0.397 0.000 2.321 323 W HA -0.304 4.356 4.660 0.000 0.000 0.306 323 W C 2.386 178.878 176.519 -0.045 0.000 1.217 323 W CA 1.439 58.614 57.345 -0.283 0.000 1.257 323 W CB -0.770 28.359 29.460 -0.551 0.000 1.145 323 W HN 0.095 nan 8.180 nan 0.000 0.509 324 F N 1.122 121.088 119.950 0.027 0.000 2.333 324 F HA -0.197 4.331 4.527 0.001 0.000 0.300 324 F C 1.773 177.597 175.800 0.040 0.000 1.083 324 F CA 1.532 59.535 58.000 0.004 0.000 1.395 324 F CB -0.450 38.510 39.000 -0.068 0.000 1.056 324 F HN -0.223 nan 8.300 nan 0.000 0.529 325 D N -0.116 120.400 120.400 0.194 0.000 2.340 325 D HA 0.024 4.664 4.640 0.001 0.000 0.217 325 D C 0.319 176.618 176.300 -0.002 0.000 1.081 325 D CA 0.172 54.241 54.000 0.115 0.000 0.842 325 D CB -0.083 40.789 40.800 0.121 0.000 0.934 325 D HN 0.192 nan 8.370 nan 0.000 0.511 326 K N 0.762 121.099 120.400 -0.105 0.000 2.451 326 K HA 0.202 4.522 4.320 0.001 0.000 0.280 326 K C 1.204 177.638 176.600 -0.277 0.000 1.020 326 K CA -0.238 55.870 56.287 -0.298 0.000 1.008 326 K CB 1.297 33.381 32.500 -0.693 0.000 0.917 326 K HN -0.102 nan 8.250 nan 0.000 0.478 327 A N 3.812 126.496 122.820 -0.227 0.000 1.978 327 A HA -0.265 4.055 4.320 0.001 0.000 0.220 327 A C 2.022 179.469 177.584 -0.229 0.000 1.170 327 A CA 1.639 53.576 52.037 -0.167 0.000 0.636 327 A CB -0.507 18.417 19.000 -0.128 0.000 0.810 327 A HN 0.931 nan 8.150 nan 0.000 0.448 328 Q N -1.224 118.328 119.800 -0.414 0.000 2.181 328 Q HA -0.076 4.264 4.340 0.001 0.000 0.205 328 Q C -0.010 175.766 176.000 -0.374 0.000 0.980 328 Q CA 0.712 56.241 55.803 -0.457 0.000 0.862 328 Q CB -0.580 27.767 28.738 -0.651 0.000 0.905 328 Q HN 0.632 nan 8.270 nan 0.000 0.429 329 F N 0.837 120.694 119.950 -0.155 0.000 2.404 329 F HA 0.314 4.842 4.527 0.001 0.000 0.345 329 F C 1.476 177.245 175.800 -0.051 0.000 1.110 329 F CA -1.064 56.870 58.000 -0.110 0.000 1.130 329 F CB 1.017 39.916 39.000 -0.168 0.000 1.129 329 F HN -0.113 nan 8.300 nan 0.000 0.500 330 R N 1.700 122.313 120.500 0.189 0.000 2.300 330 R HA 0.078 4.419 4.340 0.001 0.000 0.199 330 R C -0.739 175.623 176.300 0.103 0.000 0.920 330 R CA 0.393 56.560 56.100 0.112 0.000 1.046 330 R CB -0.079 30.274 30.300 0.088 0.000 0.984 330 R HN 0.956 nan 8.270 nan 0.000 0.493 331 N N -4.608 114.162 118.700 0.118 0.000 3.501 331 N HA 0.042 4.782 4.740 0.001 0.000 0.235 331 N C 0.495 176.007 175.510 0.003 0.000 1.442 331 N CA -0.189 52.894 53.050 0.055 0.000 0.872 331 N CB -0.115 38.401 38.487 0.050 0.000 1.414 331 N HN -0.155 nan 8.380 nan 0.000 0.485 332 G N 0.059 108.781 108.800 -0.130 0.000 2.513 332 G HA2 -0.264 3.697 3.960 0.001 0.000 0.219 332 G HA3 -0.264 3.697 3.960 0.001 0.000 0.219 332 G C 0.834 175.598 174.900 -0.226 0.000 1.160 332 G CA 1.238 46.252 45.100 -0.143 0.000 0.767 332 G HN 0.482 nan 8.290 nan 0.000 0.571 333 F N 1.481 121.353 119.950 -0.130 0.000 2.091 333 F HA -0.104 4.423 4.527 0.000 0.000 0.299 333 F C 2.623 178.411 175.800 -0.020 0.000 1.103 333 F CA 1.342 59.199 58.000 -0.238 0.000 1.228 333 F CB -0.277 38.456 39.000 -0.445 0.000 0.984 333 F HN 0.068 nan 8.300 nan 0.000 0.477 334 D N 0.445 120.913 120.400 0.114 0.000 2.149 334 D HA -0.179 4.461 4.640 0.001 0.000 0.198 334 D C 2.296 178.350 176.300 -0.409 0.000 0.990 334 D CA 1.459 55.482 54.000 0.038 0.000 0.839 334 D CB -0.645 40.264 40.800 0.182 0.000 0.948 334 D HN 0.305 nan 8.370 nan 0.000 0.460 335 A N 0.766 123.099 122.820 -0.811 0.000 1.873 335 A HA -0.109 4.211 4.320 0.001 0.000 0.215 335 A C 2.371 179.753 177.584 -0.336 0.000 1.186 335 A CA 0.856 52.088 52.037 -1.342 0.000 0.616 335 A CB -0.649 17.775 19.000 -0.960 0.000 0.823 335 A HN 0.189 nan 8.150 nan 0.000 0.442 336 I N -1.220 119.282 120.570 -0.113 0.000 2.439 336 I HA -0.157 4.013 4.170 0.001 0.000 0.251 336 I C 2.628 178.817 176.117 0.120 0.000 1.139 336 I CA 1.164 62.504 61.300 0.066 0.000 1.438 336 I CB -0.264 37.898 38.000 0.269 0.000 1.085 336 I HN 0.325 nan 8.210 nan 0.000 0.427 337 R N 1.030 121.642 120.500 0.187 0.000 2.148 337 R HA -0.199 4.141 4.340 0.001 0.000 0.223 337 R C 2.113 178.466 176.300 0.088 0.000 1.088 337 R CA 1.375 57.555 56.100 0.133 0.000 0.985 337 R CB 0.069 30.485 30.300 0.193 0.000 0.880 337 R HN 0.299 nan 8.270 nan 0.000 0.451 338 E N 0.082 120.351 120.200 0.115 0.000 2.046 338 E HA -0.036 4.314 4.350 0.001 0.000 0.190 338 E C -0.139 176.549 176.600 0.145 0.000 0.982 338 E CA 1.028 57.559 56.400 0.218 0.000 0.800 338 E CB 0.352 30.335 29.700 0.472 0.000 0.756 338 E HN 0.084 nan 8.360 nan 0.000 0.449 339 R N 0.152 120.681 120.500 0.048 0.000 2.643 339 R HA 0.236 4.576 4.340 0.001 0.000 0.269 339 R C -1.492 174.685 176.300 -0.207 0.000 1.037 339 R CA -0.876 55.132 56.100 -0.153 0.000 0.894 339 R CB 1.349 31.389 30.300 -0.433 0.000 1.238 339 R HN 0.038 nan 8.270 nan 0.000 0.459 340 D N 1.095 121.378 120.400 -0.195 0.000 2.423 340 D HA 0.172 4.813 4.640 0.001 0.000 0.238 340 D C -0.448 175.704 176.300 -0.247 0.000 1.142 340 D CA 0.337 54.232 54.000 -0.174 0.000 0.884 340 D CB 1.134 41.840 40.800 -0.158 0.000 1.199 340 D HN 0.010 nan 8.370 nan 0.000 0.438 341 V N 2.648 122.445 119.914 -0.196 0.000 2.540 341 V HA 0.379 4.499 4.120 0.001 0.000 0.302 341 V C -0.426 175.556 176.094 -0.188 0.000 1.035 341 V CA -0.879 61.280 62.300 -0.235 0.000 0.873 341 V CB 1.869 33.563 31.823 -0.214 0.000 0.992 341 V HN 0.285 nan 8.190 nan 0.000 0.428 342 L N 5.867 126.942 121.223 -0.246 0.000 2.349 342 L HA 0.719 5.060 4.340 0.001 0.000 0.278 342 L C -1.264 175.480 176.870 -0.210 0.000 0.996 342 L CA -0.157 54.583 54.840 -0.166 0.000 0.825 342 L CB 1.448 43.432 42.059 -0.126 0.000 1.243 342 L HN 0.445 nan 8.230 nan 0.000 0.412 343 L N 5.375 126.520 121.223 -0.131 0.000 2.346 343 L HA 0.463 4.803 4.340 0.001 0.000 0.274 343 L C -1.195 175.678 176.870 0.004 0.000 1.007 343 L CA -0.352 54.378 54.840 -0.184 0.000 0.818 343 L CB 1.527 43.417 42.059 -0.281 0.000 1.284 343 L HN 0.595 nan 8.230 nan 0.000 0.424 344 Y N 2.977 123.328 120.300 0.084 0.000 2.376 344 Y HA 0.466 5.016 4.550 0.001 0.000 0.326 344 Y C -0.889 175.001 175.900 -0.016 0.000 0.970 344 Y CA -0.887 57.115 58.100 -0.163 0.000 1.248 344 Y CB 0.923 39.310 38.460 -0.122 0.000 1.117 344 Y HN 0.523 nan 8.280 nan 0.000 0.476 345 Y N 6.350 126.688 120.300 0.063 0.000 2.316 345 Y HA 0.268 4.818 4.550 0.001 0.000 0.324 345 Y C -1.575 174.023 175.900 -0.504 0.000 1.267 345 Y CA -2.381 55.653 58.100 -0.109 0.000 1.311 345 Y CB 0.530 38.954 38.460 -0.060 0.000 1.267 345 Y HN 0.475 nan 8.280 nan 0.000 0.516 346 P HA 0.007 nan 4.420 nan 0.000 0.262 346 P C 0.197 177.336 177.300 -0.268 0.000 1.304 346 P CA 0.591 63.467 63.100 -0.372 0.000 0.859 346 P CB -0.043 31.241 31.700 -0.695 0.000 1.310 347 Y N -0.550 119.674 120.300 -0.126 0.000 2.193 347 Y HA -0.162 4.388 4.550 0.001 0.000 0.285 347 Y C 1.939 177.800 175.900 -0.065 0.000 1.166 347 Y CA 1.117 59.177 58.100 -0.067 0.000 1.181 347 Y CB -1.018 37.333 38.460 -0.181 0.000 0.976 347 Y HN 0.138 nan 8.280 nan 0.000 0.520 348 H N -0.598 118.623 119.070 0.251 0.000 2.559 348 H HA 0.310 4.867 4.556 0.000 0.000 0.343 348 H C 0.113 175.656 175.328 0.359 0.000 1.209 348 H CA -0.399 55.826 56.048 0.295 0.000 1.287 348 H CB 1.077 31.009 29.762 0.284 0.000 1.650 348 H HN -0.067 nan 8.280 nan 0.000 0.567 349 T N 0.549 115.384 114.554 0.468 0.000 2.913 349 T HA 0.046 4.397 4.350 0.001 0.000 0.287 349 T C 0.948 175.861 174.700 0.354 0.000 1.008 349 T CA -0.571 61.688 62.100 0.266 0.000 1.067 349 T CB 0.840 69.720 68.868 0.021 0.000 0.996 349 T HN 0.418 nan 8.240 nan 0.000 0.513 350 F N 0.710 120.630 119.950 -0.050 0.000 2.789 350 F HA 0.210 4.737 4.527 0.001 0.000 0.300 350 F C 1.954 177.704 175.800 -0.083 0.000 1.132 350 F CA -0.154 57.717 58.000 -0.216 0.000 1.404 350 F CB -0.264 38.481 39.000 -0.426 0.000 1.114 350 F HN 0.567 nan 8.300 nan 0.000 0.584 351 E N -0.022 120.107 120.200 -0.119 0.000 2.130 351 E HA -0.232 4.119 4.350 0.001 0.000 0.196 351 E C 2.173 178.571 176.600 -0.337 0.000 0.998 351 E CA 1.687 57.939 56.400 -0.247 0.000 0.806 351 E CB -0.426 29.124 29.700 -0.249 0.000 0.738 351 E HN 0.444 nan 8.360 nan 0.000 0.459 352 H N -0.929 118.015 119.070 -0.209 0.000 2.353 352 H HA -0.056 4.501 4.556 0.001 0.000 0.300 352 H C 2.191 177.286 175.328 -0.390 0.000 1.090 352 H CA 1.548 57.353 56.048 -0.405 0.000 1.327 352 H CB -0.402 29.056 29.762 -0.507 0.000 1.383 352 H HN 0.096 nan 8.280 nan 0.000 0.508 353 V N 1.225 121.012 119.914 -0.211 0.000 2.427 353 V HA -0.194 3.927 4.120 0.001 0.000 0.248 353 V C 2.797 178.688 176.094 -0.340 0.000 1.051 353 V CA 1.070 63.242 62.300 -0.213 0.000 1.048 353 V CB -0.544 31.098 31.823 -0.302 0.000 0.666 353 V HN 0.236 nan 8.190 nan 0.000 0.456 354 L N -0.450 120.480 121.223 -0.488 0.000 2.046 354 L HA -0.193 4.148 4.340 0.001 0.000 0.208 354 L C 2.541 179.262 176.870 -0.248 0.000 1.077 354 L CA 1.645 56.274 54.840 -0.352 0.000 0.747 354 L CB -0.601 41.279 42.059 -0.299 0.000 0.896 354 L HN 0.373 nan 8.230 nan 0.000 0.432 355 E N 0.032 120.091 120.200 -0.235 0.000 2.038 355 E HA -0.251 4.099 4.350 0.001 0.000 0.195 355 E C 2.286 178.765 176.600 -0.200 0.000 1.000 355 E CA 1.051 57.339 56.400 -0.185 0.000 0.803 355 E CB -0.100 29.488 29.700 -0.187 0.000 0.750 355 E HN 0.321 nan 8.360 nan 0.000 0.448 356 L N 0.909 121.981 121.223 -0.251 0.000 1.989 356 L HA -0.219 4.121 4.340 0.001 0.000 0.211 356 L C 2.339 179.042 176.870 -0.279 0.000 1.071 356 L CA 1.529 56.187 54.840 -0.303 0.000 0.749 356 L CB -0.466 41.461 42.059 -0.220 0.000 0.890 356 L HN 0.278 nan 8.230 nan 0.000 0.431 357 L N -0.612 120.431 121.223 -0.300 0.000 2.042 357 L HA -0.273 4.068 4.340 0.001 0.000 0.210 357 L C 2.830 179.580 176.870 -0.200 0.000 1.076 357 L CA 1.365 55.997 54.840 -0.346 0.000 0.749 357 L CB -0.559 41.238 42.059 -0.436 0.000 0.893 357 L HN 0.331 nan 8.230 nan 0.000 0.432 358 R N 0.015 120.427 120.500 -0.146 0.000 2.073 358 R HA -0.191 4.149 4.340 0.001 0.000 0.234 358 R C 2.321 178.674 176.300 0.087 0.000 1.134 358 R CA 1.593 57.671 56.100 -0.037 0.000 0.952 358 R CB -0.147 30.130 30.300 -0.038 0.000 0.850 358 R HN 0.408 nan 8.270 nan 0.000 0.433 359 Q N -0.260 119.529 119.800 -0.019 0.000 2.061 359 Q HA -0.177 4.164 4.340 0.001 0.000 0.204 359 Q C 2.142 177.992 176.000 -0.250 0.000 0.984 359 Q CA 1.907 57.591 55.803 -0.199 0.000 0.846 359 Q CB -0.195 28.397 28.738 -0.243 0.000 0.902 359 Q HN 0.471 nan 8.270 nan 0.000 0.421 360 A N 0.991 123.763 122.820 -0.079 0.000 1.940 360 A HA -0.221 4.099 4.320 0.001 0.000 0.219 360 A C 2.198 179.758 177.584 -0.040 0.000 1.176 360 A CA 1.845 53.892 52.037 0.016 0.000 0.631 360 A CB -0.704 18.304 19.000 0.014 0.000 0.814 360 A HN 0.495 nan 8.150 nan 0.000 0.446 361 S N -0.836 114.861 115.700 -0.005 0.000 2.474 361 S HA -0.053 4.417 4.470 0.001 0.000 0.235 361 S C 1.231 175.937 174.600 0.176 0.000 0.997 361 S CA 1.238 59.477 58.200 0.065 0.000 0.949 361 S CB -0.594 62.652 63.200 0.077 0.000 0.766 361 S HN 1.092 nan 8.310 nan 0.000 0.517 362 F N -0.243 119.699 119.950 -0.013 0.000 2.871 362 F HA 0.472 5.000 4.527 0.001 0.000 0.344 362 F C -0.055 175.749 175.800 0.007 0.000 1.078 362 F CA -0.891 57.108 58.000 -0.002 0.000 1.149 362 F CB -0.076 38.914 39.000 -0.016 0.000 1.087 362 F HN -0.037 nan 8.300 nan 0.000 0.557 363 D N 4.472 124.602 120.400 -0.449 0.000 2.451 363 D HA 0.059 4.699 4.640 0.001 0.000 0.254 363 D C -1.662 174.554 176.300 -0.139 0.000 1.204 363 D CA -1.612 52.181 54.000 -0.346 0.000 0.896 363 D CB 1.479 42.116 40.800 -0.270 0.000 1.136 363 D HN 0.061 nan 8.370 nan 0.000 0.499 364 P HA -0.135 nan 4.420 nan 0.000 0.221 364 P C 1.101 178.368 177.300 -0.055 0.000 1.145 364 P CA 1.075 64.160 63.100 -0.026 0.000 0.795 364 P CB 0.112 31.814 31.700 0.002 0.000 0.775 365 S N -2.321 113.321 115.700 -0.096 0.000 2.562 365 S HA 0.043 4.514 4.470 0.001 0.000 0.221 365 S C 0.758 175.273 174.600 -0.143 0.000 0.975 365 S CA -0.101 58.033 58.200 -0.110 0.000 0.918 365 S CB -0.898 62.227 63.200 -0.126 0.000 0.772 365 S HN -0.133 nan 8.310 nan 0.000 0.531 366 V N 2.690 122.510 119.914 -0.157 0.000 2.432 366 V HA 0.276 4.397 4.120 0.001 0.000 0.271 366 V C 0.942 176.988 176.094 -0.081 0.000 1.046 366 V CA -0.199 62.009 62.300 -0.153 0.000 0.945 366 V CB 1.007 32.739 31.823 -0.153 0.000 0.992 366 V HN 0.453 nan 8.190 nan 0.000 0.471 367 L N 4.455 125.640 121.223 -0.063 0.000 2.221 367 L HA 0.491 4.832 4.340 0.001 0.000 0.202 367 L C 0.919 177.772 176.870 -0.029 0.000 1.074 367 L CA 0.922 55.741 54.840 -0.035 0.000 0.795 367 L CB -0.050 41.995 42.059 -0.024 0.000 0.960 367 L HN 0.717 nan 8.230 nan 0.000 0.458 368 A N -0.188 122.612 122.820 -0.033 0.000 2.587 368 A HA 0.813 5.133 4.320 0.001 0.000 0.293 368 A C -1.392 176.160 177.584 -0.053 0.000 1.087 368 A CA -0.357 51.656 52.037 -0.039 0.000 0.692 368 A CB 1.612 20.593 19.000 -0.031 0.000 1.291 368 A HN 0.015 nan 8.150 nan 0.000 0.407 369 I N 0.719 121.236 120.570 -0.089 0.000 2.571 369 I HA 0.369 4.539 4.170 0.001 0.000 0.289 369 I C -0.624 175.371 176.117 -0.204 0.000 1.115 369 I CA -0.316 60.907 61.300 -0.128 0.000 1.045 369 I CB 2.428 40.337 38.000 -0.151 0.000 1.238 369 I HN 0.570 nan 8.210 nan 0.000 0.424 370 K N 6.408 126.628 120.400 -0.300 0.000 2.316 370 K HA 0.808 5.129 4.320 0.001 0.000 0.251 370 K C -1.316 175.030 176.600 -0.424 0.000 0.934 370 K CA -0.827 55.128 56.287 -0.554 0.000 0.802 370 K CB 3.335 35.139 32.500 -1.160 0.000 1.171 370 K HN 0.501 nan 8.250 nan 0.000 0.426 371 I N 1.083 121.524 120.570 -0.215 0.000 2.908 371 I HA 0.250 4.420 4.170 0.001 0.000 0.300 371 I C -1.712 174.520 176.117 0.191 0.000 1.385 371 I CA -0.796 60.539 61.300 0.057 0.000 1.004 371 I CB 2.284 40.152 38.000 -0.219 0.000 1.309 371 I HN 0.531 nan 8.210 nan 0.000 0.449 372 N N 6.982 125.850 118.700 0.280 0.000 2.438 372 N HA 0.507 5.248 4.740 0.001 0.000 0.282 372 N C -1.168 174.485 175.510 0.238 0.000 1.037 372 N CA -0.273 52.954 53.050 0.295 0.000 0.942 372 N CB 1.962 40.682 38.487 0.389 0.000 1.136 372 N HN 0.318 nan 8.380 nan 0.000 0.481 373 I N 3.250 123.942 120.570 0.203 0.000 2.411 373 I HA 0.126 4.297 4.170 0.001 0.000 0.284 373 I C 0.186 176.485 176.117 0.302 0.000 1.012 373 I CA -0.442 60.993 61.300 0.226 0.000 1.119 373 I CB 0.963 39.019 38.000 0.094 0.000 1.261 373 I HN 0.561 nan 8.210 nan 0.000 0.448 374 Y N 7.881 128.306 120.300 0.209 0.000 2.347 374 Y HA 0.341 4.891 4.550 0.001 0.000 0.274 374 Y C 0.439 176.454 175.900 0.191 0.000 1.124 374 Y CA 0.735 58.942 58.100 0.178 0.000 1.208 374 Y CB 0.621 39.161 38.460 0.133 0.000 1.142 374 Y HN 0.375 nan 8.280 nan 0.000 0.506 375 R N 1.188 121.810 120.500 0.203 0.000 2.468 375 R HA 0.474 4.814 4.340 0.001 0.000 0.302 375 R C -1.327 175.081 176.300 0.179 0.000 1.041 375 R CA -0.595 55.571 56.100 0.109 0.000 0.899 375 R CB 1.911 32.243 30.300 0.054 0.000 1.167 375 R HN 0.118 nan 8.270 nan 0.000 0.483 376 V N -0.179 119.879 119.914 0.240 0.000 2.966 376 V HA 0.817 4.937 4.120 0.001 0.000 0.317 376 V C 0.815 177.049 176.094 0.233 0.000 1.070 376 V CA -1.153 61.281 62.300 0.224 0.000 1.008 376 V CB 1.486 33.423 31.823 0.191 0.000 1.070 376 V HN 0.741 nan 8.190 nan 0.000 0.457 377 A N 1.232 124.147 122.820 0.159 0.000 2.346 377 A HA 0.335 4.655 4.320 0.001 0.000 0.255 377 A C 0.510 178.262 177.584 0.280 0.000 1.113 377 A CA -0.358 51.767 52.037 0.147 0.000 0.798 377 A CB -0.171 18.875 19.000 0.077 0.000 1.073 377 A HN 0.896 nan 8.150 nan 0.000 0.502 378 K N 1.156 121.695 120.400 0.232 0.000 2.383 378 K HA 0.160 4.480 4.320 0.001 0.000 0.286 378 K C -0.891 175.921 176.600 0.352 0.000 1.051 378 K CA 0.193 56.662 56.287 0.304 0.000 0.974 378 K CB 0.122 32.720 32.500 0.163 0.000 0.968 378 K HN 0.621 nan 8.250 nan 0.000 0.475 379 D N 1.260 122.048 120.400 0.648 0.000 2.705 379 D HA -0.160 4.480 4.640 0.001 0.000 0.240 379 D C -0.404 175.912 176.300 0.027 0.000 1.137 379 D CA 0.666 54.879 54.000 0.356 0.000 0.677 379 D CB -1.018 39.923 40.800 0.236 0.000 1.049 379 D HN 0.491 nan 8.370 nan 0.000 0.427 380 S N -0.672 114.945 115.700 -0.139 0.000 2.573 380 S HA -0.062 4.408 4.470 0.001 0.000 0.297 380 S C 1.681 176.184 174.600 -0.161 0.000 1.280 380 S CA 0.179 58.287 58.200 -0.153 0.000 1.061 380 S CB 0.725 63.769 63.200 -0.261 0.000 0.812 380 S HN 0.251 nan 8.310 nan 0.000 0.500 381 R N 3.380 123.835 120.500 -0.074 0.000 2.189 381 R HA 0.004 4.344 4.340 0.001 0.000 0.218 381 R C 1.905 178.136 176.300 -0.115 0.000 1.074 381 R CA 1.152 57.208 56.100 -0.073 0.000 0.991 381 R CB -0.218 30.054 30.300 -0.048 0.000 0.883 381 R HN 0.705 nan 8.270 nan 0.000 0.457 382 I N 0.670 121.159 120.570 -0.134 0.000 2.163 382 I HA -0.280 3.891 4.170 0.001 0.000 0.240 382 I C 2.097 178.072 176.117 -0.238 0.000 1.081 382 I CA 1.003 62.193 61.300 -0.184 0.000 1.353 382 I CB -0.272 37.629 38.000 -0.166 0.000 1.054 382 I HN 0.068 nan 8.210 nan 0.000 0.407 383 I N 0.956 121.330 120.570 -0.328 0.000 2.194 383 I HA -0.322 3.848 4.170 0.001 0.000 0.246 383 I C 2.118 178.085 176.117 -0.250 0.000 1.093 383 I CA 1.858 62.924 61.300 -0.390 0.000 1.355 383 I CB -1.425 36.144 38.000 -0.718 0.000 1.046 383 I HN 0.262 nan 8.210 nan 0.000 0.413 384 D N 0.702 120.990 120.400 -0.188 0.000 2.087 384 D HA -0.147 4.493 4.640 0.001 0.000 0.192 384 D C 2.402 178.738 176.300 0.060 0.000 0.993 384 D CA 1.793 55.765 54.000 -0.046 0.000 0.828 384 D CB 0.039 40.845 40.800 0.010 0.000 0.968 384 D HN 0.130 nan 8.370 nan 0.000 0.448 385 S N -0.393 115.306 115.700 -0.001 0.000 2.370 385 S HA -0.163 4.307 4.470 0.001 0.000 0.226 385 S C 1.873 176.453 174.600 -0.033 0.000 1.033 385 S CA 0.831 59.031 58.200 -0.000 0.000 1.011 385 S CB -0.146 62.993 63.200 -0.101 0.000 0.852 385 S HN 0.259 nan 8.310 nan 0.000 0.457 386 M N 0.692 120.220 119.600 -0.121 0.000 2.213 386 M HA 0.034 4.514 4.480 0.001 0.000 0.263 386 M C 1.963 178.176 176.300 -0.145 0.000 1.062 386 M CA 1.177 56.388 55.300 -0.149 0.000 1.105 386 M CB -1.211 31.274 32.600 -0.192 0.000 1.385 386 M HN 0.319 nan 8.290 nan 0.000 0.417 387 I N -1.458 119.014 120.570 -0.163 0.000 2.333 387 I HA -0.270 3.901 4.170 0.001 0.000 0.246 387 I C 2.215 178.100 176.117 -0.388 0.000 1.106 387 I CA 0.956 62.079 61.300 -0.295 0.000 1.411 387 I CB -0.401 37.431 38.000 -0.279 0.000 1.082 387 I HN 0.287 nan 8.210 nan 0.000 0.420 388 H N 0.505 119.482 119.070 -0.155 0.000 2.353 388 H HA -0.134 4.422 4.556 0.001 0.000 0.300 388 H C 2.336 177.648 175.328 -0.028 0.000 1.090 388 H CA 1.751 57.786 56.048 -0.022 0.000 1.327 388 H CB -0.088 29.681 29.762 0.012 0.000 1.383 388 H HN 0.333 nan 8.280 nan 0.000 0.508 389 A N 0.880 123.740 122.820 0.067 0.000 1.883 389 A HA -0.221 4.099 4.320 0.001 0.000 0.217 389 A C 2.555 180.131 177.584 -0.013 0.000 1.186 389 A CA 1.843 53.895 52.037 0.024 0.000 0.624 389 A CB -1.276 17.704 19.000 -0.034 0.000 0.822 389 A HN 0.505 nan 8.150 nan 0.000 0.444 390 A N -0.994 121.767 122.820 -0.098 0.000 1.883 390 A HA -0.246 4.074 4.320 0.001 0.000 0.217 390 A C 2.048 179.607 177.584 -0.043 0.000 1.186 390 A CA 1.892 53.862 52.037 -0.111 0.000 0.624 390 A CB -1.038 17.840 19.000 -0.204 0.000 0.822 390 A HN 0.651 nan 8.150 nan 0.000 0.444 391 H N 0.228 119.295 119.070 -0.004 0.000 2.387 391 H HA -0.075 4.481 4.556 0.000 0.000 0.299 391 H C 1.305 176.645 175.328 0.021 0.000 1.099 391 H CA 1.499 57.544 56.048 -0.004 0.000 1.315 391 H CB -0.325 29.421 29.762 -0.028 0.000 1.380 391 H HN 0.419 nan 8.280 nan 0.000 0.513 392 N N 0.057 118.852 118.700 0.158 0.000 2.515 392 N HA -0.023 4.717 4.740 0.001 0.000 0.191 392 N C 1.161 176.714 175.510 0.072 0.000 1.182 392 N CA 0.859 53.978 53.050 0.116 0.000 0.879 392 N CB 0.310 38.875 38.487 0.130 0.000 0.984 392 N HN 0.581 nan 8.380 nan 0.000 0.453 393 G N 0.419 109.254 108.800 0.058 0.000 2.179 393 G HA2 -0.274 3.686 3.960 0.001 0.000 0.260 393 G HA3 -0.274 3.686 3.960 0.001 0.000 0.260 393 G C 0.099 175.009 174.900 0.017 0.000 0.977 393 G CA 0.002 45.123 45.100 0.035 0.000 0.641 393 G HN 0.225 nan 8.290 nan 0.000 0.533 394 K N 0.476 120.882 120.400 0.010 0.000 2.319 394 K HA 0.277 4.598 4.320 0.001 0.000 0.265 394 K C 0.441 177.033 176.600 -0.013 0.000 1.000 394 K CA -0.361 55.922 56.287 -0.008 0.000 0.943 394 K CB 0.948 33.436 32.500 -0.020 0.000 0.950 394 K HN 0.366 nan 8.250 nan 0.000 0.485 395 K N 1.833 122.224 120.400 -0.015 0.000 2.284 395 K HA 0.164 4.484 4.320 0.001 0.000 0.287 395 K C -1.016 175.567 176.600 -0.028 0.000 1.081 395 K CA -0.380 55.903 56.287 -0.008 0.000 0.910 395 K CB 0.531 33.034 32.500 0.005 0.000 1.088 395 K HN 0.242 nan 8.250 nan 0.000 0.478 396 V N 4.195 124.091 119.914 -0.031 0.000 2.384 396 V HA 0.246 4.366 4.120 0.001 0.000 0.287 396 V C -0.240 175.819 176.094 -0.058 0.000 1.020 396 V CA -0.700 61.559 62.300 -0.068 0.000 0.850 396 V CB 1.616 33.387 31.823 -0.087 0.000 0.987 396 V HN 0.786 nan 8.190 nan 0.000 0.436 397 T N 4.535 119.020 114.554 -0.116 0.000 2.797 397 T HA 0.599 4.949 4.350 0.001 0.000 0.279 397 T C -0.478 174.114 174.700 -0.180 0.000 0.991 397 T CA -0.356 61.650 62.100 -0.157 0.000 0.979 397 T CB 1.645 70.397 68.868 -0.192 0.000 0.943 397 T HN 0.345 nan 8.240 nan 0.000 0.444 398 V N 4.310 124.123 119.914 -0.169 0.000 2.380 398 V HA 0.303 4.424 4.120 0.001 0.000 0.286 398 V C -0.073 175.939 176.094 -0.135 0.000 1.015 398 V CA -0.820 61.396 62.300 -0.139 0.000 0.834 398 V CB 1.668 33.404 31.823 -0.145 0.000 1.009 398 V HN 0.722 nan 8.190 nan 0.000 0.428 399 V N 6.314 126.214 119.914 -0.024 0.000 2.455 399 V HA 0.327 4.447 4.120 0.001 0.000 0.273 399 V C 0.161 176.228 176.094 -0.045 0.000 1.045 399 V CA -0.202 62.089 62.300 -0.014 0.000 0.976 399 V CB 1.508 33.416 31.823 0.141 0.000 0.993 399 V HN 0.720 nan 8.190 nan 0.000 0.475 400 V N 2.308 122.108 119.914 -0.189 0.000 2.487 400 V HA 0.650 4.771 4.120 0.001 0.000 0.298 400 V C -0.227 175.848 176.094 -0.033 0.000 1.028 400 V CA -0.830 61.382 62.300 -0.146 0.000 0.860 400 V CB 1.765 33.388 31.823 -0.334 0.000 0.991 400 V HN 0.779 nan 8.190 nan 0.000 0.427 401 E N 4.613 124.888 120.200 0.125 0.000 1.964 401 E HA 0.283 4.633 4.350 0.001 0.000 0.264 401 E C 0.838 177.531 176.600 0.154 0.000 1.120 401 E CA -0.295 56.225 56.400 0.200 0.000 1.061 401 E CB 0.381 30.303 29.700 0.371 0.000 1.190 401 E HN 0.900 nan 8.360 nan 0.000 0.459 402 L N 0.698 122.049 121.223 0.214 0.000 2.622 402 L HA 0.105 4.445 4.340 0.001 0.000 0.233 402 L C 0.314 177.257 176.870 0.122 0.000 1.156 402 L CA 0.648 55.612 54.840 0.206 0.000 0.866 402 L CB 0.010 42.295 42.059 0.377 0.000 0.980 402 L HN 0.256 nan 8.230 nan 0.000 0.448 403 Q N 1.074 120.950 119.800 0.128 0.000 2.404 403 Q HA 0.483 4.823 4.340 0.001 0.000 0.368 403 Q C 0.633 176.687 176.000 0.090 0.000 0.939 403 Q CA -0.126 55.737 55.803 0.101 0.000 1.099 403 Q CB 0.996 29.813 28.738 0.132 0.000 1.284 403 Q HN 0.588 nan 8.270 nan 0.000 0.421 404 A N 0.844 123.651 122.820 -0.021 0.000 2.790 404 A HA 0.250 4.570 4.320 0.001 0.000 0.225 404 A C 1.148 178.733 177.584 0.001 0.000 1.904 404 A CA 0.189 52.111 52.037 -0.192 0.000 0.878 404 A CB 0.457 19.146 19.000 -0.518 0.000 1.774 404 A HN 0.395 nan 8.150 nan 0.000 0.714 405 R N -3.409 117.111 120.500 0.034 0.000 2.102 405 R HA 0.273 4.613 4.340 0.001 0.000 0.208 405 R C 1.295 177.790 176.300 0.326 0.000 1.131 405 R CA 0.826 57.043 56.100 0.195 0.000 1.054 405 R CB -0.051 30.392 30.300 0.239 0.000 0.954 405 R HN 0.638 nan 8.270 nan 0.000 0.465 406 F N 0.331 120.283 119.950 0.003 0.000 2.495 406 F HA 0.199 4.726 4.527 0.001 0.000 0.272 406 F C 0.201 175.994 175.800 -0.011 0.000 0.919 406 F CA 0.046 58.055 58.000 0.014 0.000 1.178 406 F CB 0.563 39.590 39.000 0.047 0.000 1.030 406 F HN -0.223 nan 8.300 nan 0.000 0.777 407 D N 2.101 122.591 120.400 0.150 0.000 2.671 407 D HA 0.013 4.653 4.640 0.001 0.000 0.228 407 D C 0.827 177.113 176.300 -0.023 0.000 1.102 407 D CA 0.345 54.373 54.000 0.048 0.000 1.044 407 D CB -0.013 40.826 40.800 0.065 0.000 1.113 407 D HN 0.654 nan 8.370 nan 0.000 0.480 408 E N -0.219 119.956 120.200 -0.042 0.000 2.279 408 E HA -0.011 4.340 4.350 0.001 0.000 0.199 408 E C 1.108 177.674 176.600 -0.056 0.000 0.893 408 E CA -0.194 56.179 56.400 -0.045 0.000 0.978 408 E CB -0.192 29.484 29.700 -0.040 0.000 0.964 408 E HN 0.063 nan 8.360 nan 0.000 0.486 409 E N 1.262 121.410 120.200 -0.087 0.000 2.333 409 E HA -0.100 4.250 4.350 0.001 0.000 0.198 409 E C 1.914 178.436 176.600 -0.130 0.000 1.007 409 E CA 0.893 57.231 56.400 -0.104 0.000 0.845 409 E CB -0.027 29.615 29.700 -0.097 0.000 0.766 409 E HN 0.420 nan 8.360 nan 0.000 0.507 410 A N 1.493 124.212 122.820 -0.169 0.000 1.975 410 A HA -0.064 4.257 4.320 0.001 0.000 0.215 410 A C 1.693 178.988 177.584 -0.482 0.000 1.170 410 A CA 0.591 52.407 52.037 -0.369 0.000 0.656 410 A CB 0.011 18.772 19.000 -0.398 0.000 0.821 410 A HN 0.081 nan 8.150 nan 0.000 0.449 411 N N 0.026 118.642 118.700 -0.139 0.000 2.515 411 N HA 0.095 4.836 4.740 0.001 0.000 0.191 411 N C 1.114 176.735 175.510 0.185 0.000 1.182 411 N CA 0.549 53.676 53.050 0.129 0.000 0.879 411 N CB 0.016 38.612 38.487 0.182 0.000 0.984 411 N HN 0.586 nan 8.380 nan 0.000 0.453 412 I N -0.652 119.944 120.570 0.045 0.000 2.867 412 I HA -0.058 4.112 4.170 0.001 0.000 0.265 412 I C 1.680 177.798 176.117 0.002 0.000 1.162 412 I CA 0.461 61.788 61.300 0.045 0.000 1.471 412 I CB -0.023 37.886 38.000 -0.152 0.000 1.123 412 I HN 0.113 nan 8.210 nan 0.000 0.440 413 H N -0.521 118.571 119.070 0.036 0.000 2.497 413 H HA 0.019 4.576 4.556 0.001 0.000 0.282 413 H C 1.125 176.607 175.328 0.257 0.000 1.003 413 H CA 0.492 56.574 56.048 0.056 0.000 1.307 413 H CB -0.115 29.588 29.762 -0.098 0.000 1.437 413 H HN 0.421 nan 8.280 nan 0.000 0.544 414 W N 1.122 122.523 121.300 0.169 0.000 3.377 414 W HA 0.139 4.800 4.660 0.001 0.000 0.284 414 W C 1.236 177.804 176.519 0.081 0.000 1.324 414 W CA 0.093 57.497 57.345 0.098 0.000 1.568 414 W CB 0.263 29.761 29.460 0.063 0.000 1.028 414 W HN 0.208 nan 8.180 nan 0.000 0.753 415 A N -0.001 123.037 122.820 0.363 0.000 1.853 415 A HA -0.034 4.286 4.320 0.001 0.000 0.204 415 A C 1.901 179.619 177.584 0.223 0.000 1.724 415 A CA 0.207 52.413 52.037 0.281 0.000 1.105 415 A CB -0.145 19.111 19.000 0.427 0.000 1.101 415 A HN 0.231 nan 8.150 nan 0.000 0.495 416 K N 1.336 121.868 120.400 0.219 0.000 2.113 416 K HA -0.253 4.068 4.320 0.001 0.000 0.208 416 K C 1.893 178.575 176.600 0.138 0.000 1.047 416 K CA 1.894 58.281 56.287 0.167 0.000 0.928 416 K CB -0.427 32.176 32.500 0.170 0.000 0.716 416 K HN 0.567 nan 8.250 nan 0.000 0.446 417 R N 1.160 121.750 120.500 0.151 0.000 2.080 417 R HA 0.097 4.437 4.340 0.001 0.000 0.222 417 R C 2.427 178.761 176.300 0.057 0.000 1.107 417 R CA 0.588 56.749 56.100 0.102 0.000 0.980 417 R CB -0.895 29.472 30.300 0.111 0.000 0.879 417 R HN 0.046 nan 8.270 nan 0.000 0.439 418 L N 1.923 123.182 121.223 0.060 0.000 1.956 418 L HA -0.227 4.113 4.340 0.001 0.000 0.216 418 L C 2.831 179.712 176.870 0.019 0.000 1.073 418 L CA 2.435 57.279 54.840 0.006 0.000 0.762 418 L CB -1.176 40.889 42.059 0.011 0.000 0.889 418 L HN 0.497 nan 8.230 nan 0.000 0.433 419 T N -3.458 111.137 114.554 0.069 0.000 2.759 419 T HA -0.236 4.114 4.350 0.001 0.000 0.269 419 T C 1.743 176.478 174.700 0.060 0.000 1.042 419 T CA 1.253 63.401 62.100 0.080 0.000 1.140 419 T CB -0.350 68.589 68.868 0.118 0.000 0.864 419 T HN 0.257 nan 8.240 nan 0.000 0.455 420 E N 1.583 121.820 120.200 0.061 0.000 2.150 420 E HA -0.007 4.343 4.350 0.001 0.000 0.193 420 E C 2.333 178.964 176.600 0.052 0.000 0.985 420 E CA 1.110 57.544 56.400 0.058 0.000 0.814 420 E CB -0.345 29.395 29.700 0.066 0.000 0.752 420 E HN 0.683 nan 8.360 nan 0.000 0.466 421 A N -0.491 122.339 122.820 0.017 0.000 2.167 421 A HA 0.171 4.491 4.320 0.001 0.000 0.214 421 A C 1.638 179.198 177.584 -0.039 0.000 1.151 421 A CA 1.318 53.336 52.037 -0.032 0.000 0.735 421 A CB 0.006 18.859 19.000 -0.246 0.000 0.802 421 A HN 0.344 nan 8.150 nan 0.000 0.467 422 G N -2.054 106.741 108.800 -0.008 0.000 2.159 422 G HA2 -0.124 3.836 3.960 0.001 0.000 0.170 422 G HA3 -0.124 3.836 3.960 0.001 0.000 0.170 422 G C 0.023 174.926 174.900 0.005 0.000 1.007 422 G CA -0.083 45.020 45.100 0.005 0.000 0.672 422 G HN 0.646 nan 8.290 nan 0.000 0.507 423 V N 2.181 122.092 119.914 -0.005 0.000 2.488 423 V HA 0.403 4.524 4.120 0.001 0.000 0.277 423 V C 0.831 176.979 176.094 0.090 0.000 1.046 423 V CA -0.608 61.696 62.300 0.006 0.000 0.986 423 V CB 1.203 33.001 31.823 -0.042 0.000 0.989 423 V HN 0.458 nan 8.190 nan 0.000 0.475 424 H N 5.273 124.331 119.070 -0.020 0.000 2.864 424 H HA 0.407 4.963 4.556 0.001 0.000 0.281 424 H C -0.537 174.790 175.328 -0.002 0.000 1.093 424 H CA -0.281 55.770 56.048 0.005 0.000 1.453 424 H CB 0.669 30.434 29.762 0.006 0.000 1.462 424 H HN 0.352 nan 8.280 nan 0.000 0.480 425 V N 7.198 127.199 119.914 0.145 0.000 2.716 425 V HA 0.358 4.478 4.120 0.001 0.000 0.304 425 V C 0.503 176.549 176.094 -0.079 0.000 1.053 425 V CA -0.701 61.564 62.300 -0.059 0.000 0.984 425 V CB 1.623 33.444 31.823 -0.002 0.000 1.021 425 V HN 0.710 nan 8.190 nan 0.000 0.467 426 I N 2.423 122.876 120.570 -0.196 0.000 2.619 426 I HA 0.496 4.667 4.170 0.001 0.000 0.292 426 I C -1.189 174.850 176.117 -0.131 0.000 1.100 426 I CA -0.221 61.046 61.300 -0.055 0.000 1.043 426 I CB 2.211 40.157 38.000 -0.091 0.000 1.239 426 I HN 0.397 nan 8.210 nan 0.000 0.420 427 F N 2.064 122.045 119.950 0.051 0.000 2.541 427 F HA 0.412 4.939 4.527 0.001 0.000 0.331 427 F C 0.803 176.638 175.800 0.058 0.000 1.057 427 F CA -0.615 57.421 58.000 0.060 0.000 0.975 427 F CB 1.901 40.935 39.000 0.057 0.000 1.246 427 F HN 0.277 nan 8.300 nan 0.000 0.484 428 S N 1.708 117.578 115.700 0.283 0.000 2.488 428 S HA 0.519 4.990 4.470 0.001 0.000 0.278 428 S C -0.070 174.629 174.600 0.165 0.000 1.259 428 S CA -0.839 57.473 58.200 0.187 0.000 1.061 428 S CB -0.088 63.227 63.200 0.192 0.000 0.910 428 S HN 0.792 nan 8.310 nan 0.000 0.491 429 A N 7.652 130.537 122.820 0.109 0.000 2.540 429 A HA 0.318 4.638 4.320 0.001 0.000 0.239 429 A C -0.794 176.851 177.584 0.101 0.000 1.061 429 A CA -0.812 51.278 52.037 0.089 0.000 0.758 429 A CB -0.691 18.336 19.000 0.046 0.000 0.991 429 A HN 0.776 nan 8.150 nan 0.000 0.502 430 P HA -0.280 nan 4.420 nan 0.000 0.224 430 P C 1.019 178.435 177.300 0.193 0.000 1.031 430 P CA 2.787 65.967 63.100 0.134 0.000 1.031 430 P CB 0.049 31.829 31.700 0.134 0.000 0.742 431 G N -2.241 106.638 108.800 0.131 0.000 4.547 431 G HA2 0.422 4.382 3.960 0.001 0.000 0.301 431 G HA3 0.422 4.382 3.960 0.001 0.000 0.301 431 G C -0.768 174.120 174.900 -0.020 0.000 1.240 431 G CA 0.066 45.140 45.100 -0.043 0.000 0.970 431 G HN 0.202 nan 8.290 nan 0.000 0.574 432 L N 0.840 122.097 121.223 0.056 0.000 2.518 432 L HA 0.498 4.839 4.340 0.001 0.000 0.262 432 L C -0.818 176.114 176.870 0.104 0.000 0.982 432 L CA -0.432 54.451 54.840 0.072 0.000 0.873 432 L CB 1.228 43.317 42.059 0.050 0.000 1.198 432 L HN 0.039 nan 8.230 nan 0.000 0.427 433 K N 5.215 125.695 120.400 0.133 0.000 2.185 433 K HA 0.514 4.834 4.320 0.001 0.000 0.271 433 K C -0.252 176.452 176.600 0.173 0.000 1.013 433 K CA -0.430 55.974 56.287 0.196 0.000 0.943 433 K CB 1.795 34.458 32.500 0.271 0.000 0.998 433 K HN 0.505 nan 8.250 nan 0.000 0.468 434 I N 3.626 124.318 120.570 0.204 0.000 2.310 434 I HA 0.050 4.221 4.170 0.001 0.000 0.287 434 I C 0.993 177.204 176.117 0.156 0.000 1.073 434 I CA -0.200 61.189 61.300 0.149 0.000 1.216 434 I CB 0.384 38.459 38.000 0.124 0.000 1.415 434 I HN 0.757 nan 8.210 nan 0.000 0.480 435 H N 5.055 124.087 119.070 -0.063 0.000 2.592 435 H HA 0.289 4.845 4.556 0.001 0.000 0.265 435 H C 0.900 176.150 175.328 -0.131 0.000 0.955 435 H CA -0.028 55.854 56.048 -0.278 0.000 1.175 435 H CB 0.830 30.406 29.762 -0.310 0.000 1.433 435 H HN 0.683 nan 8.280 nan 0.000 0.537 436 A N 1.614 124.422 122.820 -0.020 0.000 2.540 436 A HA 0.065 4.385 4.320 0.001 0.000 0.239 436 A C 0.041 177.639 177.584 0.023 0.000 1.061 436 A CA 0.098 52.123 52.037 -0.020 0.000 0.758 436 A CB 0.136 19.118 19.000 -0.031 0.000 0.991 436 A HN 0.246 nan 8.150 nan 0.000 0.502 437 K N 2.160 122.582 120.400 0.037 0.000 2.291 437 K HA 0.548 4.868 4.320 0.001 0.000 0.242 437 K C -0.832 176.005 176.600 0.396 0.000 1.098 437 K CA 0.469 56.835 56.287 0.132 0.000 1.036 437 K CB 0.007 32.454 32.500 -0.089 0.000 1.655 437 K HN 0.594 nan 8.250 nan 0.000 0.432 438 L N 1.950 123.524 121.223 0.585 0.000 2.309 438 L HA 0.721 5.061 4.340 0.001 0.000 0.261 438 L C -0.763 176.595 176.870 0.813 0.000 1.021 438 L CA -1.539 53.662 54.840 0.601 0.000 0.823 438 L CB 1.392 43.604 42.059 0.255 0.000 1.366 438 L HN 0.297 nan 8.230 nan 0.000 0.423 439 F N 1.047 121.369 119.950 0.619 0.000 2.672 439 F HA 0.745 5.272 4.527 0.000 0.000 0.311 439 F C -2.205 173.785 175.800 0.316 0.000 1.113 439 F CA -1.404 56.807 58.000 0.352 0.000 0.996 439 F CB 1.149 40.171 39.000 0.036 0.000 1.286 439 F HN 0.288 nan 8.300 nan 0.000 0.441 440 L N 4.793 126.304 121.223 0.480 0.000 2.409 440 L HA 0.776 5.117 4.340 0.001 0.000 0.272 440 L C -1.649 175.359 176.870 0.229 0.000 0.980 440 L CA -0.672 54.376 54.840 0.346 0.000 0.826 440 L CB 1.708 43.878 42.059 0.185 0.000 1.268 440 L HN 0.712 nan 8.230 nan 0.000 0.407 441 I N 3.645 124.412 120.570 0.328 0.000 2.433 441 I HA 0.476 4.647 4.170 0.001 0.000 0.292 441 I C -0.392 175.855 176.117 0.216 0.000 1.001 441 I CA -0.412 61.027 61.300 0.233 0.000 1.119 441 I CB 1.959 40.156 38.000 0.328 0.000 1.289 441 I HN 0.568 nan 8.210 nan 0.000 0.438 442 S N 6.433 122.189 115.700 0.093 0.000 2.498 442 S HA 0.642 5.112 4.470 0.001 0.000 0.317 442 S C -0.506 174.092 174.600 -0.002 0.000 1.090 442 S CA -0.827 57.412 58.200 0.066 0.000 1.089 442 S CB 1.336 64.557 63.200 0.034 0.000 0.997 442 S HN 0.717 nan 8.310 nan 0.000 0.470 443 R N 1.364 121.857 120.500 -0.012 0.000 2.771 443 R HA 0.547 4.887 4.340 0.001 0.000 0.274 443 R C -1.337 174.924 176.300 -0.063 0.000 0.987 443 R CA -1.018 55.016 56.100 -0.109 0.000 0.908 443 R CB 1.275 31.372 30.300 -0.338 0.000 1.213 443 R HN 0.342 nan 8.270 nan 0.000 0.468 444 K N 1.559 121.915 120.400 -0.073 0.000 2.339 444 K HA 0.098 4.419 4.320 0.001 0.000 0.286 444 K C -0.823 175.751 176.600 -0.043 0.000 1.050 444 K CA -0.008 56.253 56.287 -0.044 0.000 0.956 444 K CB 0.828 33.305 32.500 -0.038 0.000 0.990 444 K HN 0.569 nan 8.250 nan 0.000 0.475 445 E N 3.779 123.969 120.200 -0.018 0.000 2.331 445 E HA 0.059 4.410 4.350 0.001 0.000 0.243 445 E C -1.139 175.462 176.600 0.001 0.000 0.925 445 E CA -0.786 55.612 56.400 -0.004 0.000 0.760 445 E CB 0.686 30.399 29.700 0.022 0.000 1.254 445 E HN 0.729 nan 8.360 nan 0.000 0.419 446 N N 2.113 120.812 118.700 -0.001 0.000 2.607 446 N HA -0.311 4.429 4.740 0.001 0.000 0.285 446 N C 0.677 176.188 175.510 0.000 0.000 1.151 446 N CA 1.159 54.209 53.050 0.002 0.000 0.749 446 N CB -1.404 37.088 38.487 0.008 0.000 0.923 446 N HN 0.846 nan 8.380 nan 0.000 0.552 447 G N -0.701 108.097 108.800 -0.003 0.000 2.900 447 G HA2 -0.364 3.596 3.960 0.001 0.000 0.223 447 G HA3 -0.364 3.596 3.960 0.001 0.000 0.223 447 G C -0.063 174.835 174.900 -0.003 0.000 1.293 447 G CA 0.454 45.552 45.100 -0.002 0.000 0.792 447 G HN 0.736 nan 8.290 nan 0.000 0.527 448 E N 0.507 120.705 120.200 -0.004 0.000 2.374 448 E HA 0.524 4.874 4.350 0.001 0.000 0.260 448 E C 0.004 176.599 176.600 -0.008 0.000 1.101 448 E CA -0.435 55.962 56.400 -0.006 0.000 0.907 448 E CB 1.790 31.486 29.700 -0.007 0.000 1.014 448 E HN 0.318 nan 8.360 nan 0.000 0.427 449 V N 2.450 122.359 119.914 -0.008 0.000 2.333 449 V HA 0.144 4.265 4.120 0.001 0.000 0.274 449 V C -0.072 176.013 176.094 -0.015 0.000 1.028 449 V CA -0.535 61.760 62.300 -0.008 0.000 0.851 449 V CB 1.323 33.145 31.823 -0.001 0.000 1.000 449 V HN 0.313 nan 8.190 nan 0.000 0.456 450 V N 6.766 126.671 119.914 -0.016 0.000 2.483 450 V HA 0.534 4.654 4.120 0.001 0.000 0.295 450 V C 0.170 176.230 176.094 -0.057 0.000 1.035 450 V CA -0.815 61.445 62.300 -0.067 0.000 0.896 450 V CB 1.894 33.666 31.823 -0.085 0.000 0.986 450 V HN 0.798 nan 8.190 nan 0.000 0.447 451 R N 3.183 123.604 120.500 -0.131 0.000 2.532 451 R HA 0.633 4.974 4.340 0.001 0.000 0.295 451 R C -1.693 174.504 176.300 -0.171 0.000 0.968 451 R CA -0.538 55.545 56.100 -0.028 0.000 0.916 451 R CB 1.606 31.920 30.300 0.024 0.000 1.124 451 R HN 0.611 nan 8.270 nan 0.000 0.463 452 Y N 0.434 120.828 120.300 0.157 0.000 2.376 452 Y HA 0.647 5.197 4.550 0.000 0.000 0.340 452 Y C -0.004 176.041 175.900 0.242 0.000 0.965 452 Y CA -0.802 57.431 58.100 0.221 0.000 1.078 452 Y CB 2.303 40.986 38.460 0.370 0.000 1.193 452 Y HN 0.656 nan 8.280 nan 0.000 0.452 453 A N 2.292 125.277 122.820 0.275 0.000 2.454 453 A HA 0.633 4.954 4.320 0.001 0.000 0.302 453 A C -1.846 175.738 177.584 -0.000 0.000 1.079 453 A CA -0.646 51.498 52.037 0.178 0.000 0.731 453 A CB 1.497 20.581 19.000 0.141 0.000 1.299 453 A HN 0.796 nan 8.150 nan 0.000 0.413 454 H N 1.863 120.708 119.070 -0.375 0.000 2.547 454 H HA 0.660 5.216 4.556 0.000 0.000 0.342 454 H C -1.866 173.340 175.328 -0.203 0.000 1.048 454 H CA -0.594 55.160 56.048 -0.490 0.000 1.204 454 H CB 0.948 29.923 29.762 -1.312 0.000 1.493 454 H HN 0.524 nan 8.280 nan 0.000 0.511 455 I N 4.684 124.902 120.570 -0.586 0.000 2.447 455 I HA 0.399 4.569 4.170 0.001 0.000 0.287 455 I C 0.478 176.290 176.117 -0.507 0.000 1.023 455 I CA -0.689 60.416 61.300 -0.325 0.000 1.083 455 I CB 2.001 39.901 38.000 -0.167 0.000 1.245 455 I HN 0.635 nan 8.210 nan 0.000 0.434 456 G N 2.126 110.776 108.800 -0.250 0.000 2.685 456 G HA2 0.511 4.471 3.960 0.001 0.000 0.298 456 G HA3 0.511 4.471 3.960 0.001 0.000 0.298 456 G C 0.445 175.358 174.900 0.023 0.000 1.277 456 G CA -0.145 44.903 45.100 -0.086 0.000 0.986 456 G HN 0.564 nan 8.290 nan 0.000 0.487 457 T N -3.191 111.433 114.554 0.117 0.000 3.015 457 T HA 0.408 4.758 4.350 0.001 0.000 0.250 457 T C 1.015 175.846 174.700 0.218 0.000 1.057 457 T CA 0.719 62.916 62.100 0.162 0.000 1.066 457 T CB 0.459 69.470 68.868 0.239 0.000 0.959 457 T HN 0.901 nan 8.240 nan 0.000 0.488 458 G N 1.598 110.497 108.800 0.165 0.000 2.537 458 G HA2 0.582 4.542 3.960 0.001 0.000 0.308 458 G HA3 0.582 4.542 3.960 0.001 0.000 0.308 458 G C -1.001 173.814 174.900 -0.142 0.000 1.237 458 G CA -1.218 43.928 45.100 0.076 0.000 0.968 458 G HN 0.461 nan 8.290 nan 0.000 0.481 459 N N -1.353 117.231 118.700 -0.194 0.000 2.408 459 N HA 0.290 5.030 4.740 0.001 0.000 0.260 459 N C -0.369 174.933 175.510 -0.346 0.000 1.242 459 N CA -0.736 52.169 53.050 -0.240 0.000 0.959 459 N CB 0.455 38.956 38.487 0.022 0.000 1.201 459 N HN 0.300 nan 8.380 nan 0.000 0.511 460 F N -0.930 119.042 119.950 0.037 0.000 2.575 460 F HA 0.103 4.630 4.527 0.000 0.000 0.380 460 F C 0.858 176.600 175.800 -0.097 0.000 1.153 460 F CA -0.150 57.910 58.000 0.101 0.000 1.360 460 F CB -0.982 38.158 39.000 0.234 0.000 1.722 460 F HN 0.446 nan 8.300 nan 0.000 0.647 461 N N 1.386 119.880 118.700 -0.343 0.000 2.476 461 N HA 0.087 4.828 4.740 0.001 0.000 0.257 461 N C 0.856 176.052 175.510 -0.524 0.000 0.970 461 N CA -0.098 52.773 53.050 -0.298 0.000 0.938 461 N CB 0.868 39.203 38.487 -0.254 0.000 1.144 461 N HN 0.394 nan 8.380 nan 0.000 0.500 462 E N 2.536 122.588 120.200 -0.247 0.000 2.097 462 E HA -0.231 4.120 4.350 0.001 0.000 0.196 462 E C 0.971 177.449 176.600 -0.205 0.000 1.000 462 E CA 1.676 57.983 56.400 -0.154 0.000 0.804 462 E CB 0.309 30.033 29.700 0.040 0.000 0.740 462 E HN 0.628 nan 8.360 nan 0.000 0.454 463 K N 0.090 120.381 120.400 -0.182 0.000 2.007 463 K HA -0.030 4.290 4.320 0.001 0.000 0.206 463 K C 2.432 178.868 176.600 -0.275 0.000 1.047 463 K CA 1.345 57.534 56.287 -0.163 0.000 0.937 463 K CB -0.355 32.083 32.500 -0.104 0.000 0.718 463 K HN -0.026 nan 8.250 nan 0.000 0.438 464 T N 1.494 115.795 114.554 -0.423 0.000 2.653 464 T HA -0.214 4.136 4.350 0.001 0.000 0.268 464 T C 1.903 176.232 174.700 -0.617 0.000 1.035 464 T CA 1.683 63.334 62.100 -0.747 0.000 1.154 464 T CB -0.372 67.950 68.868 -0.910 0.000 0.862 464 T HN 0.398 nan 8.240 nan 0.000 0.441 465 A N 0.918 123.367 122.820 -0.618 0.000 2.245 465 A HA -0.120 4.200 4.320 0.001 0.000 0.217 465 A C 2.121 179.490 177.584 -0.359 0.000 1.171 465 A CA 1.285 52.949 52.037 -0.622 0.000 0.688 465 A CB -0.376 18.030 19.000 -0.990 0.000 0.781 465 A HN 0.538 nan 8.150 nan 0.000 0.479 466 R N -1.508 118.823 120.500 -0.282 0.000 2.437 466 R HA 0.388 4.728 4.340 0.001 0.000 0.257 466 R C 0.741 176.926 176.300 -0.192 0.000 0.927 466 R CA 0.142 56.117 56.100 -0.208 0.000 1.078 466 R CB 0.226 30.455 30.300 -0.119 0.000 1.161 466 R HN 0.474 nan 8.270 nan 0.000 0.529 467 L N -1.001 120.164 121.223 -0.097 0.000 2.902 467 L HA 0.327 4.667 4.340 0.001 0.000 0.254 467 L C -0.396 176.640 176.870 0.276 0.000 1.115 467 L CA -0.025 54.888 54.840 0.121 0.000 0.947 467 L CB 0.410 42.633 42.059 0.273 0.000 1.369 467 L HN -0.023 nan 8.230 nan 0.000 0.538 468 Y N 1.271 121.457 120.300 -0.190 0.000 2.387 468 Y HA 0.397 4.948 4.550 0.000 0.000 0.336 468 Y C 0.766 176.563 175.900 -0.172 0.000 1.067 468 Y CA -2.218 55.809 58.100 -0.121 0.000 1.114 468 Y CB 1.226 39.587 38.460 -0.165 0.000 1.208 468 Y HN -0.112 nan 8.280 nan 0.000 0.458 469 T N 0.116 114.705 114.554 0.057 0.000 2.817 469 T HA 0.624 4.974 4.350 0.001 0.000 0.293 469 T C -0.720 174.063 174.700 0.139 0.000 0.964 469 T CA -0.545 61.504 62.100 -0.086 0.000 1.085 469 T CB 0.930 69.766 68.868 -0.053 0.000 0.921 469 T HN 0.491 nan 8.240 nan 0.000 0.502 470 D N 1.243 121.723 120.400 0.133 0.000 2.654 470 D HA 0.271 4.912 4.640 0.001 0.000 0.231 470 D C -1.208 175.213 176.300 0.202 0.000 1.239 470 D CA -0.415 53.758 54.000 0.289 0.000 0.790 470 D CB 1.885 42.903 40.800 0.364 0.000 1.480 470 D HN 0.588 nan 8.370 nan 0.000 0.442 471 Y N 0.084 120.539 120.300 0.259 0.000 2.453 471 Y HA 0.493 5.043 4.550 0.000 0.000 0.326 471 Y C 0.595 176.505 175.900 0.017 0.000 1.186 471 Y CA -0.273 57.877 58.100 0.084 0.000 1.200 471 Y CB 1.909 40.364 38.460 -0.008 0.000 1.247 471 Y HN 0.044 nan 8.280 nan 0.000 0.482 472 S N 2.350 118.116 115.700 0.110 0.000 2.672 472 S HA 0.418 4.888 4.470 0.001 0.000 0.291 472 S C -1.751 172.805 174.600 -0.074 0.000 1.145 472 S CA -0.554 57.678 58.200 0.054 0.000 1.013 472 S CB 0.816 64.232 63.200 0.360 0.000 1.017 472 S HN 0.472 nan 8.310 nan 0.000 0.487 473 L N 5.484 126.556 121.223 -0.253 0.000 2.272 473 L HA 0.642 4.982 4.340 0.001 0.000 0.289 473 L C -1.558 175.213 176.870 -0.165 0.000 1.032 473 L CA -0.412 54.313 54.840 -0.191 0.000 0.810 473 L CB 0.768 42.703 42.059 -0.206 0.000 1.205 473 L HN 0.429 nan 8.230 nan 0.000 0.422 474 L N 5.102 126.299 121.223 -0.043 0.000 2.316 474 L HA 0.622 4.962 4.340 0.001 0.000 0.280 474 L C 0.054 176.943 176.870 0.032 0.000 1.006 474 L CA -0.013 54.862 54.840 0.059 0.000 0.836 474 L CB 0.940 43.117 42.059 0.197 0.000 1.221 474 L HN 0.755 nan 8.230 nan 0.000 0.418 475 T N 1.429 116.008 114.554 0.042 0.000 2.883 475 T HA 0.783 5.133 4.350 0.001 0.000 0.296 475 T C 0.081 174.782 174.700 0.002 0.000 1.117 475 T CA 0.306 62.406 62.100 -0.000 0.000 1.006 475 T CB 1.919 70.747 68.868 -0.067 0.000 1.191 475 T HN 0.560 nan 8.240 nan 0.000 0.508 476 A N 1.676 124.443 122.820 -0.089 0.000 2.551 476 A HA 0.351 4.671 4.320 0.001 0.000 0.252 476 A C 0.400 177.872 177.584 -0.187 0.000 1.199 476 A CA -0.147 51.740 52.037 -0.250 0.000 0.972 476 A CB 0.038 18.805 19.000 -0.390 0.000 1.153 476 A HN 0.754 nan 8.150 nan 0.000 0.559 477 D N 1.235 121.553 120.400 -0.136 0.000 2.412 477 D HA 0.297 4.937 4.640 0.001 0.000 0.257 477 D C 1.359 177.571 176.300 -0.146 0.000 1.217 477 D CA 0.687 54.603 54.000 -0.140 0.000 0.897 477 D CB 1.272 41.981 40.800 -0.152 0.000 1.132 477 D HN 0.220 nan 8.370 nan 0.000 0.493 478 A N 5.364 128.105 122.820 -0.133 0.000 1.972 478 A HA -0.219 4.101 4.320 0.001 0.000 0.219 478 A C 2.115 179.616 177.584 -0.137 0.000 1.169 478 A CA 1.228 53.199 52.037 -0.109 0.000 0.635 478 A CB -0.133 18.819 19.000 -0.080 0.000 0.810 478 A HN 0.656 nan 8.150 nan 0.000 0.446 479 R N -0.471 119.888 120.500 -0.235 0.000 2.103 479 R HA -0.086 4.255 4.340 0.001 0.000 0.242 479 R C 1.793 177.840 176.300 -0.422 0.000 1.142 479 R CA 1.916 57.749 56.100 -0.444 0.000 0.960 479 R CB -0.437 29.350 30.300 -0.855 0.000 0.858 479 R HN 0.611 nan 8.270 nan 0.000 0.439 480 I N -1.124 119.260 120.570 -0.310 0.000 2.585 480 I HA -0.133 4.037 4.170 0.001 0.000 0.254 480 I C 2.074 178.167 176.117 -0.040 0.000 1.129 480 I CA 0.872 62.075 61.300 -0.161 0.000 1.455 480 I CB -0.143 37.764 38.000 -0.155 0.000 1.111 480 I HN 0.121 nan 8.210 nan 0.000 0.433 481 T N 0.933 115.459 114.554 -0.047 0.000 2.720 481 T HA -0.149 4.201 4.350 0.001 0.000 0.268 481 T C 1.756 176.491 174.700 0.058 0.000 1.037 481 T CA 1.547 63.654 62.100 0.011 0.000 1.144 481 T CB -0.200 68.648 68.868 -0.033 0.000 0.864 481 T HN 0.264 nan 8.240 nan 0.000 0.444 482 N N 1.081 119.803 118.700 0.037 0.000 2.142 482 N HA -0.056 4.685 4.740 0.001 0.000 0.186 482 N C 1.914 177.504 175.510 0.134 0.000 1.023 482 N CA 0.987 54.082 53.050 0.074 0.000 0.852 482 N CB -0.270 38.248 38.487 0.051 0.000 0.998 482 N HN 0.558 nan 8.380 nan 0.000 0.424 483 E N 0.551 120.846 120.200 0.159 0.000 2.153 483 E HA -0.073 4.277 4.350 0.001 0.000 0.194 483 E C 1.846 178.624 176.600 0.296 0.000 0.988 483 E CA 0.653 57.221 56.400 0.280 0.000 0.811 483 E CB 0.015 29.917 29.700 0.337 0.000 0.746 483 E HN 0.135 nan 8.360 nan 0.000 0.466 484 V N 1.321 121.358 119.914 0.205 0.000 2.809 484 V HA -0.180 3.940 4.120 0.001 0.000 0.256 484 V C 2.393 178.686 176.094 0.332 0.000 1.080 484 V CA 1.311 63.738 62.300 0.212 0.000 1.102 484 V CB -0.522 31.420 31.823 0.199 0.000 0.705 484 V HN 0.177 nan 8.190 nan 0.000 0.475 485 R N 0.150 120.828 120.500 0.297 0.000 2.073 485 R HA -0.060 4.280 4.340 0.001 0.000 0.229 485 R C 2.525 179.020 176.300 0.325 0.000 1.120 485 R CA 1.069 57.356 56.100 0.311 0.000 0.967 485 R CB -0.101 30.317 30.300 0.197 0.000 0.862 485 R HN 0.366 nan 8.270 nan 0.000 0.436 486 R N 0.022 120.702 120.500 0.300 0.000 2.092 486 R HA -0.071 4.270 4.340 0.001 0.000 0.231 486 R C 2.222 178.794 176.300 0.454 0.000 1.119 486 R CA 1.312 57.601 56.100 0.315 0.000 0.970 486 R CB -0.205 30.216 30.300 0.202 0.000 0.864 486 R HN 0.125 nan 8.270 nan 0.000 0.440 487 V N 0.562 120.727 119.914 0.418 0.000 2.295 487 V HA -0.259 3.861 4.120 0.001 0.000 0.246 487 V C 1.970 178.183 176.094 0.199 0.000 1.049 487 V CA 1.859 64.313 62.300 0.256 0.000 1.024 487 V CB -0.543 31.242 31.823 -0.063 0.000 0.648 487 V HN 0.178 nan 8.190 nan 0.000 0.447 488 F N 0.627 120.714 119.950 0.228 0.000 2.134 488 F HA -0.151 4.377 4.527 0.000 0.000 0.299 488 F C 2.467 178.361 175.800 0.158 0.000 1.097 488 F CA 1.685 59.782 58.000 0.162 0.000 1.264 488 F CB -0.491 38.585 39.000 0.126 0.000 1.001 488 F HN 0.193 nan 8.300 nan 0.000 0.479 489 N N -0.110 118.810 118.700 0.365 0.000 2.223 489 N HA -0.202 4.538 4.740 0.001 0.000 0.185 489 N C 1.783 177.453 175.510 0.268 0.000 1.016 489 N CA 1.025 54.236 53.050 0.269 0.000 0.863 489 N CB -0.763 37.861 38.487 0.228 0.000 0.983 489 N HN 0.225 nan 8.380 nan 0.000 0.429 490 F N 2.093 122.142 119.950 0.165 0.000 2.102 490 F HA -0.047 4.481 4.527 0.001 0.000 0.298 490 F C 2.084 177.934 175.800 0.084 0.000 1.105 490 F CA 1.003 59.083 58.000 0.134 0.000 1.239 490 F CB -0.543 38.580 39.000 0.206 0.000 0.991 490 F HN -0.094 nan 8.300 nan 0.000 0.474 491 I N 0.291 120.798 120.570 -0.105 0.000 2.264 491 I HA -0.285 3.885 4.170 0.001 0.000 0.248 491 I C 2.254 178.300 176.117 -0.119 0.000 1.111 491 I CA 1.741 62.909 61.300 -0.219 0.000 1.382 491 I CB -0.576 37.400 38.000 -0.040 0.000 1.060 491 I HN 0.256 nan 8.210 nan 0.000 0.418 492 E N 0.101 120.311 120.200 0.017 0.000 2.112 492 E HA -0.092 4.259 4.350 0.001 0.000 0.190 492 E C 0.759 177.403 176.600 0.073 0.000 0.979 492 E CA 0.593 57.035 56.400 0.070 0.000 0.814 492 E CB 0.075 29.854 29.700 0.132 0.000 0.762 492 E HN 0.252 nan 8.360 nan 0.000 0.460 493 N N -0.014 118.720 118.700 0.057 0.000 2.727 493 N HA 0.086 4.826 4.740 0.001 0.000 0.252 493 N C -2.401 173.118 175.510 0.015 0.000 1.283 493 N CA -1.430 51.687 53.050 0.112 0.000 0.782 493 N CB 1.281 39.885 38.487 0.194 0.000 1.199 493 N HN -0.122 nan 8.380 nan 0.000 0.520 494 P HA 0.022 nan 4.420 nan 0.000 0.245 494 P C 0.459 177.618 177.300 -0.236 0.000 1.212 494 P CA 0.411 63.281 63.100 -0.382 0.000 0.774 494 P CB 0.052 31.314 31.700 -0.730 0.000 0.999 495 Y N 0.032 120.377 120.300 0.076 0.000 2.314 495 Y HA 0.087 4.637 4.550 0.001 0.000 0.294 495 Y C 1.680 177.636 175.900 0.093 0.000 1.119 495 Y CA 0.131 58.277 58.100 0.078 0.000 1.179 495 Y CB -0.255 38.237 38.460 0.052 0.000 1.025 495 Y HN -0.242 nan 8.280 nan 0.000 0.541 496 R N 2.981 123.628 120.500 0.244 0.000 2.442 496 R HA 0.114 4.455 4.340 0.001 0.000 0.291 496 R C -2.407 173.982 176.300 0.148 0.000 1.069 496 R CA -1.501 54.701 56.100 0.170 0.000 1.022 496 R CB -0.279 30.111 30.300 0.150 0.000 0.976 496 R HN 0.115 nan 8.270 nan 0.000 0.443 497 P HA 0.092 nan 4.420 nan 0.000 0.270 497 P C -0.499 176.803 177.300 0.005 0.000 1.223 497 P CA -0.110 63.022 63.100 0.053 0.000 0.785 497 P CB 0.876 32.591 31.700 0.025 0.000 0.923 498 V N 0.641 120.513 119.914 -0.071 0.000 3.178 498 V HA 0.577 4.697 4.120 0.001 0.000 0.302 498 V C -0.164 175.727 176.094 -0.337 0.000 1.262 498 V CA -0.529 61.636 62.300 -0.226 0.000 1.030 498 V CB 2.383 34.045 31.823 -0.268 0.000 1.074 498 V HN 0.889 nan 8.190 nan 0.000 0.438 499 T N -0.492 113.744 114.554 -0.531 0.000 2.916 499 T HA 0.829 5.179 4.350 0.001 0.000 0.305 499 T C -1.355 172.912 174.700 -0.722 0.000 1.119 499 T CA -0.501 61.336 62.100 -0.439 0.000 1.008 499 T CB 1.735 70.471 68.868 -0.220 0.000 1.129 499 T HN 0.242 nan 8.240 nan 0.000 0.480 500 F N 1.071 120.969 119.950 -0.086 0.000 2.507 500 F HA 0.455 4.982 4.527 0.000 0.000 0.325 500 F C 0.724 176.491 175.800 -0.056 0.000 1.116 500 F CA -0.975 56.996 58.000 -0.047 0.000 0.930 500 F CB 2.119 41.087 39.000 -0.053 0.000 1.146 500 F HN 0.611 nan 8.300 nan 0.000 0.447 501 D N 1.469 121.921 120.400 0.086 0.000 2.366 501 D HA 0.002 4.642 4.640 0.001 0.000 0.205 501 D C 0.760 176.891 176.300 -0.282 0.000 1.022 501 D CA 1.093 55.014 54.000 -0.132 0.000 0.868 501 D CB 0.482 41.128 40.800 -0.258 0.000 0.953 501 D HN 0.539 nan 8.370 nan 0.000 0.514 502 Y N -0.008 120.365 120.300 0.123 0.000 2.817 502 Y HA 0.172 4.722 4.550 0.001 0.000 0.257 502 Y C 0.682 176.671 175.900 0.148 0.000 1.055 502 Y CA -0.510 57.654 58.100 0.107 0.000 1.319 502 Y CB 0.117 38.615 38.460 0.063 0.000 1.481 502 Y HN -0.206 nan 8.280 nan 0.000 0.471 503 L N 1.481 122.886 121.223 0.303 0.000 2.461 503 L HA 0.061 4.402 4.340 0.001 0.000 0.272 503 L C 0.082 176.983 176.870 0.052 0.000 1.197 503 L CA 0.454 55.382 54.840 0.146 0.000 0.836 503 L CB 0.415 42.484 42.059 0.018 0.000 1.105 503 L HN 0.199 nan 8.230 nan 0.000 0.477 504 M N 3.557 123.167 119.600 0.017 0.000 2.180 504 M HA 0.506 4.986 4.480 0.001 0.000 0.350 504 M C -1.494 174.701 176.300 -0.176 0.000 1.125 504 M CA -0.490 54.773 55.300 -0.062 0.000 1.031 504 M CB 0.901 33.487 32.600 -0.024 0.000 1.623 504 M HN 0.262 nan 8.290 nan 0.000 0.451 505 V N 4.120 123.864 119.914 -0.282 0.000 2.447 505 V HA 0.349 4.470 4.120 0.001 0.000 0.292 505 V C -0.346 175.605 176.094 -0.239 0.000 1.021 505 V CA -0.704 61.370 62.300 -0.377 0.000 0.850 505 V CB 1.787 33.093 31.823 -0.862 0.000 1.005 505 V HN 0.936 nan 8.190 nan 0.000 0.426 506 S N 6.938 122.556 115.700 -0.137 0.000 2.562 506 S HA 0.443 4.913 4.470 0.001 0.000 0.275 506 S C -2.170 172.422 174.600 -0.015 0.000 1.281 506 S CA -0.868 57.278 58.200 -0.090 0.000 1.045 506 S CB 1.440 64.606 63.200 -0.057 0.000 0.962 506 S HN 0.713 nan 8.310 nan 0.000 0.503 507 P HA 0.277 nan 4.420 nan 0.000 0.239 507 P C -0.256 176.990 177.300 -0.090 0.000 1.880 507 P CA -0.104 62.947 63.100 -0.081 0.000 1.088 507 P CB 0.804 32.443 31.700 -0.101 0.000 1.721 508 Q N 0.820 120.549 119.800 -0.119 0.000 2.387 508 Q HA 0.092 4.432 4.340 0.001 0.000 0.208 508 Q C 1.593 177.523 176.000 -0.117 0.000 0.935 508 Q CA 1.415 57.142 55.803 -0.127 0.000 0.891 508 Q CB 0.050 28.656 28.738 -0.221 0.000 1.007 508 Q HN -0.017 nan 8.270 nan 0.000 0.548 509 N N -1.064 117.555 118.700 -0.135 0.000 2.420 509 N HA 0.113 4.853 4.740 0.001 0.000 0.185 509 N C 1.137 176.540 175.510 -0.177 0.000 1.033 509 N CA 1.059 54.036 53.050 -0.122 0.000 0.879 509 N CB 0.114 38.539 38.487 -0.105 0.000 1.071 509 N HN 0.088 nan 8.380 nan 0.000 0.437 510 S N 0.872 116.454 115.700 -0.197 0.000 2.180 510 S HA -0.386 4.084 4.470 0.001 0.000 0.422 510 S C 1.782 176.165 174.600 -0.362 0.000 1.021 510 S CA 2.115 60.165 58.200 -0.250 0.000 2.417 510 S CB -0.825 62.232 63.200 -0.238 0.000 1.807 510 S HN 0.425 nan 8.310 nan 0.000 0.507 511 R N 1.033 121.267 120.500 -0.444 0.000 2.094 511 R HA -0.143 4.197 4.340 0.001 0.000 0.239 511 R C 2.645 178.538 176.300 -0.679 0.000 1.137 511 R CA 1.973 57.648 56.100 -0.708 0.000 0.943 511 R CB -0.288 29.577 30.300 -0.725 0.000 0.850 511 R HN 0.400 nan 8.270 nan 0.000 0.433 512 R N 0.212 120.459 120.500 -0.422 0.000 2.103 512 R HA -0.190 4.151 4.340 0.001 0.000 0.242 512 R C 2.299 178.475 176.300 -0.207 0.000 1.142 512 R CA 1.813 57.756 56.100 -0.261 0.000 0.960 512 R CB -0.402 29.796 30.300 -0.169 0.000 0.858 512 R HN 0.279 nan 8.270 nan 0.000 0.439 513 L N 0.964 122.053 121.223 -0.224 0.000 2.093 513 L HA -0.105 4.235 4.340 0.001 0.000 0.208 513 L C 1.975 178.694 176.870 -0.253 0.000 1.085 513 L CA 1.552 56.269 54.840 -0.205 0.000 0.755 513 L CB -0.259 41.687 42.059 -0.188 0.000 0.904 513 L HN 0.210 nan 8.230 nan 0.000 0.435 514 L N -2.223 118.822 121.223 -0.296 0.000 2.044 514 L HA -0.208 4.133 4.340 0.001 0.000 0.205 514 L C 2.504 179.313 176.870 -0.102 0.000 1.075 514 L CA 1.333 56.008 54.840 -0.275 0.000 0.747 514 L CB -0.854 40.929 42.059 -0.460 0.000 0.903 514 L HN 0.253 nan 8.230 nan 0.000 0.435 515 Y N 0.576 120.728 120.300 -0.246 0.000 2.114 515 Y HA -0.329 4.221 4.550 0.000 0.000 0.282 515 Y C 2.729 178.535 175.900 -0.156 0.000 1.165 515 Y CA 0.909 58.904 58.100 -0.174 0.000 1.148 515 Y CB -0.134 38.237 38.460 -0.148 0.000 0.972 515 Y HN 0.283 nan 8.280 nan 0.000 0.504 516 E N 0.061 120.260 120.200 -0.002 0.000 2.097 516 E HA -0.264 4.086 4.350 0.001 0.000 0.196 516 E C 2.130 178.643 176.600 -0.145 0.000 1.000 516 E CA 1.536 57.893 56.400 -0.072 0.000 0.804 516 E CB -0.176 29.463 29.700 -0.102 0.000 0.740 516 E HN 0.552 nan 8.360 nan 0.000 0.454 517 M N -0.075 119.357 119.600 -0.281 0.000 2.200 517 M HA -0.110 4.371 4.480 0.001 0.000 0.265 517 M C 2.378 178.509 176.300 -0.282 0.000 1.066 517 M CA 0.776 55.770 55.300 -0.509 0.000 1.127 517 M CB 0.042 31.868 32.600 -1.290 0.000 1.379 517 M HN 0.018 nan 8.290 nan 0.000 0.420 518 V N 0.717 120.590 119.914 -0.068 0.000 2.307 518 V HA -0.260 3.860 4.120 0.001 0.000 0.245 518 V C 1.712 177.831 176.094 0.042 0.000 1.045 518 V CA 1.893 64.264 62.300 0.119 0.000 1.024 518 V CB -0.718 31.189 31.823 0.140 0.000 0.651 518 V HN 0.381 nan 8.190 nan 0.000 0.449 519 D N -0.253 120.141 120.400 -0.010 0.000 2.182 519 D HA -0.197 4.444 4.640 0.001 0.000 0.201 519 D C 2.237 178.530 176.300 -0.012 0.000 0.986 519 D CA 1.291 55.280 54.000 -0.019 0.000 0.847 519 D CB -0.296 40.484 40.800 -0.032 0.000 0.942 519 D HN 0.382 nan 8.370 nan 0.000 0.467 520 R N 0.709 121.194 120.500 -0.025 0.000 2.092 520 R HA -0.101 4.239 4.340 0.001 0.000 0.231 520 R C 1.734 178.045 176.300 0.018 0.000 1.119 520 R CA 0.979 57.069 56.100 -0.016 0.000 0.970 520 R CB 0.203 30.477 30.300 -0.042 0.000 0.864 520 R HN 0.006 nan 8.270 nan 0.000 0.440 521 E N 0.691 120.922 120.200 0.052 0.000 2.106 521 E HA -0.159 4.191 4.350 0.001 0.000 0.192 521 E C 2.068 178.699 176.600 0.052 0.000 0.984 521 E CA 0.992 57.440 56.400 0.081 0.000 0.806 521 E CB -0.132 29.657 29.700 0.149 0.000 0.750 521 E HN 0.460 nan 8.360 nan 0.000 0.458 522 I N 1.301 121.896 120.570 0.042 0.000 2.163 522 I HA -0.299 3.872 4.170 0.001 0.000 0.243 522 I C 2.523 178.649 176.117 0.015 0.000 1.085 522 I CA 1.214 62.530 61.300 0.026 0.000 1.347 522 I CB -0.389 37.620 38.000 0.014 0.000 1.044 522 I HN 0.013 nan 8.210 nan 0.000 0.408 523 A N 1.123 123.949 122.820 0.010 0.000 1.865 523 A HA -0.247 4.073 4.320 0.001 0.000 0.217 523 A C 2.059 179.648 177.584 0.008 0.000 1.191 523 A CA 2.165 54.205 52.037 0.004 0.000 0.623 523 A CB -0.818 18.182 19.000 -0.001 0.000 0.826 523 A HN 0.428 nan 8.150 nan 0.000 0.444 524 N N 0.575 119.283 118.700 0.014 0.000 2.061 524 N HA -0.174 4.566 4.740 0.001 0.000 0.193 524 N C 1.898 177.416 175.510 0.014 0.000 1.030 524 N CA 1.790 54.849 53.050 0.015 0.000 0.856 524 N CB -0.754 37.747 38.487 0.023 0.000 1.023 524 N HN 0.501 nan 8.380 nan 0.000 0.424 525 A N 1.441 124.271 122.820 0.017 0.000 1.865 525 A HA -0.202 4.118 4.320 0.001 0.000 0.217 525 A C 2.038 179.627 177.584 0.008 0.000 1.191 525 A CA 1.577 53.622 52.037 0.014 0.000 0.623 525 A CB -0.858 18.152 19.000 0.017 0.000 0.826 525 A HN 0.413 nan 8.150 nan 0.000 0.444 526 Q N -0.666 119.138 119.800 0.007 0.000 2.443 526 Q HA -0.176 4.164 4.340 0.001 0.000 0.213 526 Q C 1.068 177.070 176.000 0.002 0.000 0.982 526 Q CA 1.268 57.073 55.803 0.004 0.000 0.894 526 Q CB -0.139 28.600 28.738 0.002 0.000 0.947 526 Q HN 0.774 nan 8.270 nan 0.000 0.480 527 Q N -1.123 118.679 119.800 0.003 0.000 2.172 527 Q HA 0.193 4.533 4.340 0.001 0.000 0.217 527 Q C 0.542 176.544 176.000 0.002 0.000 0.832 527 Q CA 0.199 56.003 55.803 0.002 0.000 1.010 527 Q CB 1.151 29.890 28.738 0.002 0.000 1.133 527 Q HN 0.452 nan 8.270 nan 0.000 0.489 528 G N 1.155 109.957 108.800 0.003 0.000 2.166 528 G HA2 -0.297 3.663 3.960 0.001 0.000 0.260 528 G HA3 -0.297 3.663 3.960 0.001 0.000 0.260 528 G C 0.048 174.950 174.900 0.004 0.000 0.986 528 G CA 0.203 45.304 45.100 0.002 0.000 0.683 528 G HN 0.306 nan 8.290 nan 0.000 0.527 529 L N 1.769 122.996 121.223 0.006 0.000 2.375 529 L HA 0.426 4.766 4.340 0.001 0.000 0.271 529 L C -1.205 175.670 176.870 0.010 0.000 1.107 529 L CA -2.250 52.595 54.840 0.008 0.000 0.806 529 L CB 0.885 42.950 42.059 0.010 0.000 1.146 529 L HN -0.048 nan 8.230 nan 0.000 0.447 530 P HA 0.036 nan 4.420 nan 0.000 0.266 530 P C -0.863 176.447 177.300 0.017 0.000 1.195 530 P CA -0.014 63.091 63.100 0.008 0.000 0.768 530 P CB 1.054 32.757 31.700 0.004 0.000 0.838 531 S N 0.990 116.700 115.700 0.017 0.000 2.705 531 S HA 0.922 5.392 4.470 0.001 0.000 0.280 531 S C -0.485 174.128 174.600 0.021 0.000 1.174 531 S CA -0.384 57.836 58.200 0.032 0.000 0.823 531 S CB 1.676 64.899 63.200 0.040 0.000 1.162 531 S HN 0.807 nan 8.310 nan 0.000 0.487 532 G N -0.206 108.618 108.800 0.040 0.000 2.378 532 G HA2 0.456 4.416 3.960 0.001 0.000 0.302 532 G HA3 0.456 4.416 3.960 0.001 0.000 0.302 532 G C -1.945 172.953 174.900 -0.003 0.000 1.669 532 G CA -0.864 44.236 45.100 -0.000 0.000 0.920 532 G HN 0.884 nan 8.290 nan 0.000 0.697 533 I N 1.468 121.998 120.570 -0.067 0.000 2.468 533 I HA 0.454 4.624 4.170 0.001 0.000 0.285 533 I C -0.369 175.604 176.117 -0.240 0.000 1.039 533 I CA -0.639 60.553 61.300 -0.180 0.000 1.074 533 I CB 2.528 40.488 38.000 -0.067 0.000 1.228 533 I HN 0.366 nan 8.210 nan 0.000 0.436 534 T N 7.317 121.682 114.554 -0.316 0.000 2.809 534 T HA 0.653 5.003 4.350 0.001 0.000 0.284 534 T C -0.388 174.173 174.700 -0.232 0.000 0.992 534 T CA -0.446 61.495 62.100 -0.265 0.000 0.957 534 T CB 1.155 69.860 68.868 -0.271 0.000 0.942 534 T HN 0.271 nan 8.240 nan 0.000 0.439 535 L N 2.868 123.987 121.223 -0.174 0.000 2.365 535 L HA 0.705 5.045 4.340 0.001 0.000 0.273 535 L C -0.303 176.540 176.870 -0.045 0.000 1.000 535 L CA -1.212 53.510 54.840 -0.196 0.000 0.819 535 L CB 2.066 43.811 42.059 -0.524 0.000 1.284 535 L HN 0.382 nan 8.230 nan 0.000 0.418 536 K N 4.048 124.439 120.400 -0.014 0.000 2.521 536 K HA 0.748 5.069 4.320 0.001 0.000 0.248 536 K C -1.659 174.930 176.600 -0.019 0.000 0.978 536 K CA -0.104 56.187 56.287 0.006 0.000 0.947 536 K CB 0.633 33.170 32.500 0.061 0.000 1.165 536 K HN 0.539 nan 8.250 nan 0.000 0.445 537 L N 2.181 123.358 121.223 -0.075 0.000 2.303 537 L HA 0.546 4.887 4.340 0.001 0.000 0.256 537 L C 0.647 177.465 176.870 -0.086 0.000 1.034 537 L CA -1.161 53.635 54.840 -0.074 0.000 0.832 537 L CB 1.764 43.737 42.059 -0.143 0.000 1.403 537 L HN 0.439 nan 8.230 nan 0.000 0.419 538 N N 0.114 118.758 118.700 -0.094 0.000 2.415 538 N HA 0.103 4.843 4.740 0.001 0.000 0.174 538 N C -0.699 174.745 175.510 -0.109 0.000 1.048 538 N CA 0.405 53.373 53.050 -0.135 0.000 0.895 538 N CB 0.197 38.570 38.487 -0.191 0.000 1.036 538 N HN 0.597 nan 8.380 nan 0.000 0.449 539 N N -0.377 118.291 118.700 -0.052 0.000 2.367 539 N HA 0.354 5.094 4.740 0.001 0.000 0.278 539 N C -1.972 173.557 175.510 0.031 0.000 1.117 539 N CA -0.585 52.458 53.050 -0.012 0.000 0.867 539 N CB 2.410 40.907 38.487 0.015 0.000 1.649 539 N HN -0.129 nan 8.380 nan 0.000 0.479 540 L N 2.458 123.706 121.223 0.041 0.000 2.427 540 L HA 0.593 4.933 4.340 0.001 0.000 0.264 540 L C -1.149 175.774 176.870 0.089 0.000 0.989 540 L CA -0.175 54.716 54.840 0.085 0.000 0.865 540 L CB 1.253 43.323 42.059 0.017 0.000 1.209 540 L HN 0.603 nan 8.230 nan 0.000 0.430 541 V N 1.618 121.592 119.914 0.100 0.000 3.332 541 V HA 0.181 4.301 4.120 0.001 0.000 0.263 541 V C 0.308 176.412 176.094 0.017 0.000 1.562 541 V CA 0.029 62.364 62.300 0.057 0.000 1.040 541 V CB 0.573 32.429 31.823 0.055 0.000 0.857 541 V HN 0.769 nan 8.190 nan 0.000 0.428 542 D N 1.452 121.877 120.400 0.041 0.000 2.531 542 D HA -0.023 4.617 4.640 0.001 0.000 0.239 542 D C 1.481 177.752 176.300 -0.049 0.000 1.144 542 D CA 0.362 54.359 54.000 -0.006 0.000 0.869 542 D CB 0.758 41.546 40.800 -0.019 0.000 1.160 542 D HN -0.054 nan 8.370 nan 0.000 0.484 543 K N 3.332 123.671 120.400 -0.102 0.000 1.987 543 K HA -0.138 4.183 4.320 0.001 0.000 0.216 543 K C 2.010 178.574 176.600 -0.060 0.000 1.051 543 K CA 1.562 57.744 56.287 -0.174 0.000 0.942 543 K CB -0.863 31.533 32.500 -0.174 0.000 0.722 543 K HN 0.686 nan 8.250 nan 0.000 0.444 544 G N 1.274 110.077 108.800 0.005 0.000 2.475 544 G HA2 -0.230 3.730 3.960 0.001 0.000 0.220 544 G HA3 -0.230 3.730 3.960 0.001 0.000 0.220 544 G C 1.715 176.652 174.900 0.061 0.000 1.125 544 G CA 0.829 45.976 45.100 0.079 0.000 0.755 544 G HN 0.272 nan 8.290 nan 0.000 0.565 545 L N -0.150 121.107 121.223 0.057 0.000 2.162 545 L HA 0.034 4.374 4.340 0.001 0.000 0.205 545 L C 2.915 179.819 176.870 0.057 0.000 1.086 545 L CA 0.064 54.925 54.840 0.036 0.000 0.778 545 L CB -0.194 41.789 42.059 -0.125 0.000 0.928 545 L HN 0.082 nan 8.230 nan 0.000 0.446 546 V N -0.206 119.706 119.914 -0.003 0.000 2.307 546 V HA -0.271 3.849 4.120 0.001 0.000 0.245 546 V C 2.055 177.979 176.094 -0.283 0.000 1.045 546 V CA 1.822 64.022 62.300 -0.167 0.000 1.024 546 V CB -0.471 31.263 31.823 -0.147 0.000 0.651 546 V HN 0.408 nan 8.190 nan 0.000 0.449 547 D N -0.287 120.094 120.400 -0.033 0.000 2.149 547 D HA -0.147 4.493 4.640 0.001 0.000 0.198 547 D C 2.400 178.724 176.300 0.040 0.000 0.990 547 D CA 0.917 54.993 54.000 0.127 0.000 0.839 547 D CB -0.278 40.608 40.800 0.143 0.000 0.948 547 D HN 0.193 nan 8.370 nan 0.000 0.460 548 R N 0.283 120.748 120.500 -0.058 0.000 2.075 548 R HA 0.009 4.350 4.340 0.001 0.000 0.232 548 R C 2.531 178.842 176.300 0.018 0.000 1.126 548 R CA 0.350 56.399 56.100 -0.084 0.000 0.963 548 R CB -0.815 29.384 30.300 -0.168 0.000 0.858 548 R HN 0.311 nan 8.270 nan 0.000 0.435 549 L N -0.884 120.358 121.223 0.031 0.000 2.056 549 L HA -0.182 4.158 4.340 0.001 0.000 0.207 549 L C 2.354 179.281 176.870 0.095 0.000 1.078 549 L CA 1.377 56.251 54.840 0.056 0.000 0.749 549 L CB -0.649 41.421 42.059 0.018 0.000 0.901 549 L HN 0.220 nan 8.230 nan 0.000 0.433 550 Y N -0.065 120.274 120.300 0.066 0.000 2.128 550 Y HA -0.338 4.212 4.550 0.001 0.000 0.284 550 Y C 2.756 178.666 175.900 0.017 0.000 1.154 550 Y CA 0.543 58.666 58.100 0.038 0.000 1.149 550 Y CB -0.290 38.194 38.460 0.039 0.000 0.976 550 Y HN 0.209 nan 8.280 nan 0.000 0.505 551 A N 0.238 123.166 122.820 0.180 0.000 1.940 551 A HA -0.239 4.081 4.320 0.001 0.000 0.219 551 A C 2.360 179.983 177.584 0.065 0.000 1.176 551 A CA 1.840 53.928 52.037 0.084 0.000 0.631 551 A CB -1.131 17.886 19.000 0.029 0.000 0.814 551 A HN 0.474 nan 8.150 nan 0.000 0.446 552 A N -0.849 122.015 122.820 0.074 0.000 1.873 552 A HA -0.078 4.242 4.320 0.001 0.000 0.215 552 A C 2.489 180.110 177.584 0.061 0.000 1.186 552 A CA 2.167 54.243 52.037 0.066 0.000 0.616 552 A CB -1.072 17.977 19.000 0.082 0.000 0.823 552 A HN 0.611 nan 8.150 nan 0.000 0.442 553 S N -0.121 115.627 115.700 0.080 0.000 2.354 553 S HA -0.170 4.300 4.470 0.001 0.000 0.219 553 S C 2.178 176.804 174.600 0.044 0.000 1.035 553 S CA 2.095 60.333 58.200 0.064 0.000 1.037 553 S CB -0.611 62.645 63.200 0.093 0.000 0.956 553 S HN 0.548 nan 8.310 nan 0.000 0.428 554 S N 0.912 116.641 115.700 0.048 0.000 2.441 554 S HA -0.053 4.417 4.470 0.001 0.000 0.242 554 S C 1.809 176.419 174.600 0.016 0.000 1.018 554 S CA 1.246 59.459 58.200 0.021 0.000 0.988 554 S CB -0.386 62.824 63.200 0.017 0.000 0.778 554 S HN 0.549 nan 8.310 nan 0.000 0.498 555 S N -0.481 115.234 115.700 0.024 0.000 2.575 555 S HA 0.382 4.853 4.470 0.001 0.000 0.215 555 S C 1.337 175.946 174.600 0.015 0.000 0.966 555 S CA 0.457 58.667 58.200 0.016 0.000 0.911 555 S CB 0.492 63.704 63.200 0.019 0.000 0.780 555 S HN 0.738 nan 8.310 nan 0.000 0.514 556 G N 0.921 109.731 108.800 0.016 0.000 2.134 556 G HA2 -0.212 3.749 3.960 0.001 0.000 0.209 556 G HA3 -0.212 3.749 3.960 0.001 0.000 0.209 556 G C -0.031 174.877 174.900 0.014 0.000 0.993 556 G CA -0.145 44.962 45.100 0.011 0.000 0.669 556 G HN 0.377 nan 8.290 nan 0.000 0.519 557 V N 1.264 121.192 119.914 0.023 0.000 2.465 557 V HA 0.474 4.595 4.120 0.001 0.000 0.279 557 V C -1.808 174.294 176.094 0.013 0.000 1.045 557 V CA -1.719 60.596 62.300 0.025 0.000 0.938 557 V CB 1.618 33.468 31.823 0.045 0.000 0.986 557 V HN 0.115 nan 8.190 nan 0.000 0.467 558 P HA 0.239 nan 4.420 nan 0.000 0.280 558 P C -0.804 176.471 177.300 -0.043 0.000 1.300 558 P CA -0.028 63.056 63.100 -0.026 0.000 0.785 558 P CB 0.640 32.314 31.700 -0.043 0.000 0.874 559 V N 5.153 125.046 119.914 -0.035 0.000 2.357 559 V HA 0.336 4.456 4.120 0.001 0.000 0.284 559 V C 0.036 176.088 176.094 -0.070 0.000 1.018 559 V CA -0.502 61.767 62.300 -0.051 0.000 0.841 559 V CB 1.273 33.090 31.823 -0.010 0.000 0.991 559 V HN 0.446 nan 8.190 nan 0.000 0.437 560 N N 5.697 124.314 118.700 -0.138 0.000 2.407 560 N HA 0.619 5.359 4.740 0.001 0.000 0.277 560 N C -1.163 174.360 175.510 0.023 0.000 0.995 560 N CA -0.365 52.594 53.050 -0.152 0.000 0.903 560 N CB 2.615 40.749 38.487 -0.588 0.000 1.218 560 N HN 0.516 nan 8.380 nan 0.000 0.487 561 L N 2.093 123.439 121.223 0.205 0.000 2.341 561 L HA 0.496 4.836 4.340 0.001 0.000 0.278 561 L C -0.588 176.400 176.870 0.195 0.000 1.005 561 L CA -0.964 53.976 54.840 0.168 0.000 0.818 561 L CB 1.972 44.044 42.059 0.021 0.000 1.259 561 L HN 0.218 nan 8.230 nan 0.000 0.418 562 L N 5.196 126.465 121.223 0.076 0.000 2.387 562 L HA 0.481 4.821 4.340 0.001 0.000 0.259 562 L C -0.786 176.019 176.870 -0.107 0.000 1.050 562 L CA -0.257 54.484 54.840 -0.164 0.000 0.922 562 L CB 1.274 43.083 42.059 -0.415 0.000 1.280 562 L HN 0.279 nan 8.230 nan 0.000 0.449 563 V N 5.626 125.488 119.914 -0.086 0.000 2.370 563 V HA 0.394 4.514 4.120 0.001 0.000 0.283 563 V C 1.073 177.120 176.094 -0.079 0.000 1.023 563 V CA -0.498 61.753 62.300 -0.081 0.000 0.857 563 V CB 1.261 33.047 31.823 -0.062 0.000 0.985 563 V HN 0.808 nan 8.190 nan 0.000 0.443 564 R N 3.777 124.220 120.500 -0.095 0.000 2.173 564 R HA 0.298 4.639 4.340 0.001 0.000 0.208 564 R C 1.189 177.406 176.300 -0.138 0.000 1.035 564 R CA 1.052 57.106 56.100 -0.076 0.000 1.004 564 R CB -0.055 30.206 30.300 -0.065 0.000 0.917 564 R HN 0.656 nan 8.270 nan 0.000 0.462 565 G N 0.986 109.626 108.800 -0.267 0.000 3.434 565 G HA2 0.298 4.258 3.960 0.001 0.000 0.192 565 G HA3 0.298 4.258 3.960 0.001 0.000 0.192 565 G C -0.294 174.505 174.900 -0.169 0.000 1.704 565 G CA -0.842 43.985 45.100 -0.456 0.000 0.936 565 G HN 0.078 nan 8.290 nan 0.000 0.623 566 M N 0.318 119.875 119.600 -0.072 0.000 2.188 566 M HA 0.349 4.829 4.480 0.001 0.000 0.354 566 M C -0.864 175.458 176.300 0.037 0.000 1.342 566 M CA 0.003 55.332 55.300 0.048 0.000 1.117 566 M CB 1.052 33.734 32.600 0.137 0.000 1.670 566 M HN 0.263 nan 8.290 nan 0.000 0.466 567 C N 3.484 122.816 119.300 0.053 0.000 2.478 567 C HA 0.432 4.893 4.460 0.001 0.000 0.334 567 C C 1.327 176.370 174.990 0.087 0.000 1.106 567 C CA -0.429 58.621 59.018 0.053 0.000 1.363 567 C CB 0.326 28.086 27.740 0.034 0.000 1.941 567 C HN 1.056 nan 8.230 nan 0.000 0.436 568 S N 4.460 120.221 115.700 0.102 0.000 2.496 568 S HA 0.029 4.500 4.470 0.001 0.000 0.224 568 S C 0.609 175.331 174.600 0.203 0.000 0.996 568 S CA -0.006 58.285 58.200 0.151 0.000 0.927 568 S CB -0.240 63.044 63.200 0.141 0.000 0.774 568 S HN 0.875 nan 8.310 nan 0.000 0.524 569 L N 2.389 123.699 121.223 0.144 0.000 2.455 569 L HA 0.386 4.726 4.340 0.001 0.000 0.272 569 L C -0.861 176.124 176.870 0.192 0.000 1.174 569 L CA -0.251 54.676 54.840 0.146 0.000 0.869 569 L CB 0.316 42.373 42.059 -0.005 0.000 1.130 569 L HN 0.234 nan 8.230 nan 0.000 0.474 570 I N 8.086 128.834 120.570 0.297 0.000 2.307 570 I HA 0.333 4.504 4.170 0.001 0.000 0.289 570 I C -2.006 174.220 176.117 0.182 0.000 1.021 570 I CA -1.901 59.509 61.300 0.183 0.000 1.224 570 I CB 1.066 39.132 38.000 0.110 0.000 1.376 570 I HN 0.523 nan 8.210 nan 0.000 0.470 571 P HA 0.174 nan 4.420 nan 0.000 0.281 571 P C -0.437 176.878 177.300 0.025 0.000 1.249 571 P CA -0.099 63.053 63.100 0.086 0.000 0.810 571 P CB 0.914 32.652 31.700 0.063 0.000 1.008 572 N N -0.765 117.941 118.700 0.010 0.000 2.829 572 N HA -0.133 4.607 4.740 0.001 0.000 0.250 572 N C -0.438 175.046 175.510 -0.044 0.000 1.090 572 N CA 0.569 53.603 53.050 -0.028 0.000 0.781 572 N CB -1.803 36.651 38.487 -0.055 0.000 1.124 572 N HN 0.506 nan 8.380 nan 0.000 0.559 573 L N 2.214 123.405 121.223 -0.055 0.000 2.369 573 L HA 0.073 4.413 4.340 0.001 0.000 0.279 573 L C 1.055 177.869 176.870 -0.093 0.000 1.108 573 L CA -0.203 54.581 54.840 -0.094 0.000 0.852 573 L CB 0.342 42.304 42.059 -0.162 0.000 1.169 573 L HN 0.141 nan 8.230 nan 0.000 0.452 574 E N 2.834 122.987 120.200 -0.078 0.000 2.694 574 E HA 0.047 4.398 4.350 0.001 0.000 0.250 574 E C 1.020 177.573 176.600 -0.079 0.000 0.963 574 E CA 0.371 56.731 56.400 -0.067 0.000 0.949 574 E CB 0.062 29.728 29.700 -0.058 0.000 0.911 574 E HN 0.852 nan 8.360 nan 0.000 0.500 575 G N 3.164 111.925 108.800 -0.066 0.000 2.155 575 G HA2 -0.285 3.675 3.960 0.001 0.000 0.257 575 G HA3 -0.285 3.675 3.960 0.001 0.000 0.257 575 G C 0.487 175.332 174.900 -0.092 0.000 0.983 575 G CA 0.545 45.605 45.100 -0.067 0.000 0.676 575 G HN 0.654 nan 8.290 nan 0.000 0.528 576 I N -0.847 119.652 120.570 -0.119 0.000 4.317 576 I HA 0.168 4.339 4.170 0.001 0.000 0.289 576 I C 1.465 177.516 176.117 -0.110 0.000 1.164 576 I CA 0.937 62.122 61.300 -0.192 0.000 1.312 576 I CB 0.655 38.432 38.000 -0.371 0.000 1.569 576 I HN 0.385 nan 8.210 nan 0.000 0.450 577 S N -0.641 115.022 115.700 -0.061 0.000 2.794 577 S HA 0.219 4.689 4.470 0.001 0.000 0.244 577 S C 0.196 174.812 174.600 0.027 0.000 1.045 577 S CA -0.641 57.594 58.200 0.059 0.000 1.114 577 S CB -0.229 63.067 63.200 0.159 0.000 1.085 577 S HN 0.109 nan 8.310 nan 0.000 0.488 578 D N 2.579 122.979 120.400 -0.000 0.000 2.178 578 D HA -0.078 4.562 4.640 0.001 0.000 0.201 578 D C 0.696 176.995 176.300 -0.001 0.000 0.980 578 D CA 0.810 54.804 54.000 -0.010 0.000 0.842 578 D CB -0.108 40.681 40.800 -0.018 0.000 0.948 578 D HN 0.502 nan 8.370 nan 0.000 0.472 579 N N 0.331 119.039 118.700 0.013 0.000 2.251 579 N HA 0.146 4.887 4.740 0.001 0.000 0.217 579 N C 0.037 175.558 175.510 0.017 0.000 1.124 579 N CA 0.024 53.080 53.050 0.011 0.000 0.843 579 N CB 1.367 39.860 38.487 0.011 0.000 1.024 579 N HN 0.244 nan 8.380 nan 0.000 0.501 580 I N 0.959 121.548 120.570 0.032 0.000 2.339 580 I HA 0.250 4.420 4.170 0.001 0.000 0.290 580 I C 0.356 176.497 176.117 0.040 0.000 0.994 580 I CA -0.625 60.699 61.300 0.041 0.000 1.191 580 I CB 1.663 39.710 38.000 0.077 0.000 1.343 580 I HN -0.276 nan 8.210 nan 0.000 0.458 581 R N 5.724 126.253 120.500 0.048 0.000 2.265 581 R HA 0.741 5.081 4.340 0.001 0.000 0.328 581 R C -1.148 175.240 176.300 0.148 0.000 0.969 581 R CA -0.442 55.712 56.100 0.090 0.000 0.832 581 R CB 1.482 31.844 30.300 0.102 0.000 1.139 581 R HN 0.751 nan 8.270 nan 0.000 0.457 582 A N 6.586 129.497 122.820 0.151 0.000 2.318 582 A HA 0.594 4.914 4.320 0.001 0.000 0.317 582 A C -0.394 177.296 177.584 0.178 0.000 1.159 582 A CA -0.831 51.294 52.037 0.148 0.000 0.799 582 A CB 0.595 19.650 19.000 0.092 0.000 1.194 582 A HN 0.818 nan 8.150 nan 0.000 0.479 583 I N -0.876 119.757 120.570 0.105 0.000 3.042 583 I HA 0.901 5.071 4.170 0.001 0.000 0.310 583 I C -0.425 175.641 176.117 -0.085 0.000 1.117 583 I CA -0.804 60.500 61.300 0.006 0.000 1.003 583 I CB 2.332 40.288 38.000 -0.073 0.000 1.228 583 I HN 0.461 nan 8.210 nan 0.000 0.443 584 S N 2.866 118.492 115.700 -0.123 0.000 2.541 584 S HA 0.725 5.196 4.470 0.001 0.000 0.280 584 S C -1.176 173.333 174.600 -0.152 0.000 1.112 584 S CA -0.608 57.520 58.200 -0.121 0.000 0.925 584 S CB 1.440 64.596 63.200 -0.075 0.000 1.067 584 S HN 0.587 nan 8.310 nan 0.000 0.479 585 I N 4.004 124.500 120.570 -0.124 0.000 2.410 585 I HA 0.467 4.638 4.170 0.001 0.000 0.286 585 I C -1.053 175.031 176.117 -0.056 0.000 1.009 585 I CA -0.791 60.443 61.300 -0.109 0.000 1.111 585 I CB 1.942 39.883 38.000 -0.099 0.000 1.262 585 I HN 0.324 nan 8.210 nan 0.000 0.443 586 V N 5.812 125.676 119.914 -0.083 0.000 2.444 586 V HA 0.504 4.624 4.120 0.001 0.000 0.294 586 V C -0.505 175.547 176.094 -0.070 0.000 1.022 586 V CA -0.243 62.019 62.300 -0.062 0.000 0.850 586 V CB 1.829 33.562 31.823 -0.149 0.000 0.992 586 V HN 0.708 nan 8.190 nan 0.000 0.426 587 D N 2.398 122.803 120.400 0.008 0.000 3.344 587 D HA 0.304 4.945 4.640 0.001 0.000 0.308 587 D C 1.154 177.552 176.300 0.164 0.000 1.356 587 D CA -0.671 53.353 54.000 0.040 0.000 0.998 587 D CB 1.232 42.043 40.800 0.018 0.000 1.370 587 D HN 0.217 nan 8.370 nan 0.000 0.610 588 R N -0.626 119.931 120.500 0.094 0.000 2.081 588 R HA -0.054 4.286 4.340 0.001 0.000 0.235 588 R C 0.101 176.479 176.300 0.130 0.000 1.131 588 R CA 0.984 57.116 56.100 0.054 0.000 0.960 588 R CB -0.199 29.961 30.300 -0.233 0.000 0.856 588 R HN 0.423 nan 8.270 nan 0.000 0.436 589 Y N 0.853 121.186 120.300 0.055 0.000 2.323 589 Y HA 0.247 4.797 4.550 0.000 0.000 0.331 589 Y C 0.191 176.108 175.900 0.029 0.000 1.092 589 Y CA -1.191 56.917 58.100 0.012 0.000 1.150 589 Y CB 1.545 39.957 38.460 -0.080 0.000 1.200 589 Y HN 0.007 nan 8.280 nan 0.000 0.472 590 L N 4.985 126.307 121.223 0.164 0.000 2.456 590 L HA 0.095 4.436 4.340 0.001 0.000 0.277 590 L C -0.114 176.763 176.870 0.012 0.000 1.124 590 L CA -0.346 54.499 54.840 0.008 0.000 0.880 590 L CB 0.167 42.053 42.059 -0.288 0.000 1.192 590 L HN 0.632 nan 8.230 nan 0.000 0.463 591 E N 4.773 125.011 120.200 0.063 0.000 2.406 591 E HA -0.085 4.265 4.350 0.001 0.000 0.258 591 E C 0.271 176.916 176.600 0.076 0.000 1.043 591 E CA 0.449 56.901 56.400 0.088 0.000 0.929 591 E CB 0.414 30.151 29.700 0.062 0.000 0.969 591 E HN 0.542 nan 8.360 nan 0.000 0.462 592 H N 2.655 121.747 119.070 0.036 0.000 3.440 592 H HA 0.007 4.564 4.556 0.000 0.000 0.259 592 H C -0.147 175.258 175.328 0.128 0.000 1.120 592 H CA -0.102 55.979 56.048 0.054 0.000 1.191 592 H CB 0.945 30.753 29.762 0.077 0.000 1.537 592 H HN 0.554 nan 8.280 nan 0.000 0.547 593 D N 1.113 121.656 120.400 0.239 0.000 2.360 593 D HA 0.099 4.740 4.640 0.001 0.000 0.242 593 D C -0.335 176.057 176.300 0.154 0.000 1.184 593 D CA -0.127 54.031 54.000 0.263 0.000 0.930 593 D CB 1.656 42.669 40.800 0.354 0.000 1.161 593 D HN 0.166 nan 8.370 nan 0.000 0.447 594 R N -0.024 120.569 120.500 0.155 0.000 2.532 594 R HA 0.492 4.832 4.340 0.001 0.000 0.297 594 R C -0.982 175.309 176.300 -0.015 0.000 0.984 594 R CA -1.009 55.132 56.100 0.068 0.000 0.884 594 R CB 2.297 32.632 30.300 0.058 0.000 1.182 594 R HN 0.468 nan 8.270 nan 0.000 0.442 595 V N 2.022 121.932 119.914 -0.007 0.000 2.925 595 V HA 0.623 4.743 4.120 0.001 0.000 0.311 595 V C -1.739 174.410 176.094 0.092 0.000 1.104 595 V CA -0.617 61.633 62.300 -0.084 0.000 0.954 595 V CB 2.089 33.871 31.823 -0.067 0.000 1.022 595 V HN 0.766 nan 8.190 nan 0.000 0.427 596 Y N 5.184 125.497 120.300 0.022 0.000 2.331 596 Y HA 0.726 5.276 4.550 0.001 0.000 0.334 596 Y C -0.089 175.754 175.900 -0.095 0.000 0.960 596 Y CA -1.181 56.872 58.100 -0.078 0.000 1.130 596 Y CB 2.181 40.724 38.460 0.138 0.000 1.164 596 Y HN 0.538 nan 8.280 nan 0.000 0.458 597 I N 4.314 124.756 120.570 -0.214 0.000 2.436 597 I HA 0.368 4.538 4.170 0.001 0.000 0.289 597 I C -1.263 174.595 176.117 -0.432 0.000 1.010 597 I CA -0.622 60.570 61.300 -0.180 0.000 1.098 597 I CB 1.428 39.355 38.000 -0.122 0.000 1.266 597 I HN 0.437 nan 8.210 nan 0.000 0.434 598 F N 4.019 124.044 119.950 0.126 0.000 2.477 598 F HA 0.304 4.832 4.527 0.000 0.000 0.335 598 F C 1.221 177.055 175.800 0.056 0.000 1.130 598 F CA -0.629 57.428 58.000 0.095 0.000 0.948 598 F CB 1.718 40.798 39.000 0.133 0.000 1.154 598 F HN 0.456 nan 8.300 nan 0.000 0.439 599 E N 2.581 122.877 120.200 0.160 0.000 2.065 599 E HA -0.323 4.028 4.350 0.001 0.000 0.201 599 E C 0.738 177.403 176.600 0.108 0.000 1.016 599 E CA 2.109 58.564 56.400 0.092 0.000 0.818 599 E CB -0.194 29.540 29.700 0.057 0.000 0.749 599 E HN 0.629 nan 8.360 nan 0.000 0.453 600 N N -1.528 117.253 118.700 0.135 0.000 2.746 600 N HA -0.212 4.529 4.740 0.001 0.000 0.250 600 N C 0.482 176.027 175.510 0.057 0.000 1.055 600 N CA 1.818 54.927 53.050 0.099 0.000 0.699 600 N CB -1.510 37.042 38.487 0.110 0.000 0.919 600 N HN 0.587 nan 8.380 nan 0.000 0.548 601 G N -1.440 107.388 108.800 0.047 0.000 2.270 601 G HA2 -0.133 3.827 3.960 0.001 0.000 0.268 601 G HA3 -0.133 3.827 3.960 0.001 0.000 0.268 601 G C 1.502 176.415 174.900 0.022 0.000 0.982 601 G CA 1.226 46.343 45.100 0.029 0.000 0.628 601 G HN 1.882 nan 8.290 nan 0.000 0.544 602 G N -0.917 107.899 108.800 0.026 0.000 2.738 602 G HA2 0.013 3.974 3.960 0.001 0.000 0.195 602 G HA3 0.013 3.974 3.960 0.001 0.000 0.195 602 G C -0.007 174.903 174.900 0.016 0.000 1.001 602 G CA 0.703 45.813 45.100 0.016 0.000 0.759 602 G HN 1.091 nan 8.290 nan 0.000 0.494 603 D N 2.031 122.445 120.400 0.023 0.000 2.943 603 D HA 0.353 4.994 4.640 0.001 0.000 0.249 603 D C 0.694 177.013 176.300 0.033 0.000 1.231 603 D CA -0.357 53.654 54.000 0.019 0.000 0.979 603 D CB -0.455 40.356 40.800 0.017 0.000 1.053 603 D HN 0.319 nan 8.370 nan 0.000 0.504 604 K N 1.626 122.045 120.400 0.032 0.000 2.510 604 K HA -0.140 4.181 4.320 0.001 0.000 0.272 604 K C 0.210 176.844 176.600 0.055 0.000 1.025 604 K CA 0.824 57.139 56.287 0.047 0.000 1.134 604 K CB 0.437 32.945 32.500 0.013 0.000 0.827 604 K HN 0.230 nan 8.250 nan 0.000 0.485 605 K N 2.316 122.797 120.400 0.135 0.000 2.213 605 K HA 0.328 4.648 4.320 0.001 0.000 0.270 605 K C -0.867 175.826 176.600 0.155 0.000 1.002 605 K CA -0.731 55.642 56.287 0.144 0.000 0.868 605 K CB 1.629 34.331 32.500 0.337 0.000 1.093 605 K HN 0.157 nan 8.250 nan 0.000 0.454 606 V N 4.204 124.088 119.914 -0.050 0.000 2.444 606 V HA 0.358 4.478 4.120 0.001 0.000 0.294 606 V C -1.201 174.761 176.094 -0.218 0.000 1.022 606 V CA -0.941 61.324 62.300 -0.058 0.000 0.850 606 V CB 0.643 32.391 31.823 -0.126 0.000 0.992 606 V HN 0.599 nan 8.190 nan 0.000 0.426 607 Y N 4.249 124.529 120.300 -0.032 0.000 2.446 607 Y HA 0.693 5.244 4.550 0.001 0.000 0.345 607 Y C -0.089 175.623 175.900 -0.312 0.000 0.984 607 Y CA -0.827 57.199 58.100 -0.123 0.000 1.058 607 Y CB 1.940 40.378 38.460 -0.036 0.000 1.220 607 Y HN 0.432 nan 8.280 nan 0.000 0.455 608 L N 2.535 123.657 121.223 -0.169 0.000 2.307 608 L HA 0.697 5.037 4.340 0.001 0.000 0.284 608 L C -0.090 176.656 176.870 -0.206 0.000 1.023 608 L CA -0.533 54.171 54.840 -0.226 0.000 0.810 608 L CB 1.827 43.746 42.059 -0.233 0.000 1.231 608 L HN 0.606 nan 8.230 nan 0.000 0.423 609 S N -0.069 115.492 115.700 -0.232 0.000 2.595 609 S HA 0.408 4.878 4.470 0.001 0.000 0.281 609 S C 0.406 175.014 174.600 0.013 0.000 1.117 609 S CA -0.190 57.922 58.200 -0.147 0.000 0.873 609 S CB 1.947 64.961 63.200 -0.310 0.000 1.108 609 S HN 0.657 nan 8.310 nan 0.000 0.477 610 S N 1.451 117.194 115.700 0.072 0.000 2.556 610 S HA 0.528 4.999 4.470 0.001 0.000 0.216 610 S C 0.375 175.121 174.600 0.244 0.000 0.970 610 S CA 0.058 58.345 58.200 0.145 0.000 0.912 610 S CB 0.022 63.278 63.200 0.093 0.000 0.790 610 S HN 1.026 nan 8.310 nan 0.000 0.504 611 A N 1.243 124.190 122.820 0.211 0.000 2.331 611 A HA 0.667 4.988 4.320 0.001 0.000 0.320 611 A C -0.584 177.176 177.584 0.293 0.000 1.138 611 A CA -0.707 51.461 52.037 0.218 0.000 0.790 611 A CB 0.788 19.908 19.000 0.200 0.000 1.206 611 A HN 0.267 nan 8.150 nan 0.000 0.470 612 D N 0.630 121.144 120.400 0.191 0.000 2.411 612 D HA 0.194 4.834 4.640 0.001 0.000 0.251 612 D C -0.473 176.051 176.300 0.373 0.000 1.201 612 D CA 0.152 54.282 54.000 0.218 0.000 0.996 612 D CB 0.508 41.360 40.800 0.087 0.000 1.101 612 D HN 0.598 nan 8.370 nan 0.000 0.504 613 W N 1.331 122.626 121.300 -0.009 0.000 1.694 613 W HA 0.277 4.937 4.660 0.000 0.000 0.425 613 W C -0.082 176.418 176.519 -0.032 0.000 0.615 613 W CA -0.324 56.995 57.345 -0.043 0.000 2.237 613 W CB -0.858 28.557 29.460 -0.074 0.000 1.478 613 W HN -0.035 nan 8.180 nan 0.000 0.427 614 M N 0.047 119.730 119.600 0.138 0.000 2.508 614 M HA 0.177 4.657 4.480 0.001 0.000 0.327 614 M C 1.536 177.861 176.300 0.040 0.000 1.160 614 M CA -0.315 55.029 55.300 0.074 0.000 0.980 614 M CB 1.969 34.603 32.600 0.057 0.000 1.693 614 M HN -0.152 nan 8.290 nan 0.000 0.452 615 T N 0.967 115.548 114.554 0.045 0.000 2.653 615 T HA -0.214 4.136 4.350 0.001 0.000 0.268 615 T C 1.603 176.407 174.700 0.173 0.000 1.035 615 T CA 2.040 64.188 62.100 0.081 0.000 1.154 615 T CB -0.408 68.537 68.868 0.129 0.000 0.862 615 T HN 0.695 nan 8.240 nan 0.000 0.441 616 R N 1.807 122.410 120.500 0.172 0.000 2.127 616 R HA -0.031 4.309 4.340 0.001 0.000 0.238 616 R C 1.855 178.234 176.300 0.131 0.000 1.134 616 R CA 1.594 57.828 56.100 0.222 0.000 0.975 616 R CB -0.534 29.800 30.300 0.057 0.000 0.865 616 R HN 0.365 nan 8.270 nan 0.000 0.447 617 N N 0.245 118.973 118.700 0.048 0.000 2.463 617 N HA -0.012 4.728 4.740 0.001 0.000 0.181 617 N C 1.160 176.657 175.510 -0.022 0.000 1.078 617 N CA 0.829 53.883 53.050 0.007 0.000 0.902 617 N CB 0.192 38.689 38.487 0.016 0.000 0.970 617 N HN 0.250 nan 8.380 nan 0.000 0.451 618 I N 0.611 121.145 120.570 -0.059 0.000 3.039 618 I HA -0.007 4.164 4.170 0.001 0.000 0.270 618 I C 1.255 177.259 176.117 -0.187 0.000 1.150 618 I CA 0.965 62.174 61.300 -0.151 0.000 1.448 618 I CB 0.179 38.038 38.000 -0.234 0.000 1.197 618 I HN -0.134 nan 8.210 nan 0.000 0.450 619 D N -1.327 118.931 120.400 -0.238 0.000 2.449 619 D HA 0.092 4.733 4.640 0.001 0.000 0.210 619 D C 0.612 176.559 176.300 -0.588 0.000 1.094 619 D CA 0.609 54.331 54.000 -0.463 0.000 0.846 619 D CB 0.578 40.967 40.800 -0.686 0.000 1.003 619 D HN 0.329 nan 8.370 nan 0.000 0.504 620 Y N 0.426 120.700 120.300 -0.044 0.000 2.682 620 Y HA 0.392 4.942 4.550 0.001 0.000 0.251 620 Y C 0.557 176.446 175.900 -0.019 0.000 1.172 620 Y CA -0.359 57.720 58.100 -0.035 0.000 1.186 620 Y CB 0.811 39.242 38.460 -0.048 0.000 1.216 620 Y HN -0.384 nan 8.280 nan 0.000 0.540 621 R N 0.025 120.576 120.500 0.085 0.000 2.739 621 R HA 0.536 4.876 4.340 0.001 0.000 0.271 621 R C -1.423 174.914 176.300 0.061 0.000 1.010 621 R CA -0.966 55.181 56.100 0.079 0.000 0.897 621 R CB 2.246 32.586 30.300 0.067 0.000 1.236 621 R HN -0.004 nan 8.270 nan 0.000 0.466 622 I N 2.586 123.202 120.570 0.078 0.000 2.312 622 I HA 0.222 4.393 4.170 0.001 0.000 0.291 622 I C -0.002 176.150 176.117 0.059 0.000 1.031 622 I CA 0.058 61.404 61.300 0.078 0.000 1.293 622 I CB 0.823 38.874 38.000 0.085 0.000 1.403 622 I HN 0.337 nan 8.210 nan 0.000 0.484 623 E N 5.749 125.965 120.200 0.027 0.000 2.392 623 E HA 0.686 5.037 4.350 0.001 0.000 0.269 623 E C -1.299 175.288 176.600 -0.021 0.000 0.924 623 E CA -0.793 55.630 56.400 0.038 0.000 0.784 623 E CB 3.375 33.114 29.700 0.065 0.000 1.292 623 E HN 0.169 nan 8.360 nan 0.000 0.447 624 V N 0.316 120.225 119.914 -0.008 0.000 2.733 624 V HA 0.658 4.778 4.120 0.001 0.000 0.306 624 V C -0.938 175.150 176.094 -0.009 0.000 1.084 624 V CA -0.783 61.489 62.300 -0.048 0.000 0.905 624 V CB 1.797 33.571 31.823 -0.082 0.000 1.010 624 V HN 0.801 nan 8.190 nan 0.000 0.424 625 A N 2.911 125.736 122.820 0.008 0.000 2.355 625 A HA 0.943 5.264 4.320 0.001 0.000 0.317 625 A C -0.231 177.424 177.584 0.118 0.000 1.094 625 A CA -0.559 51.502 52.037 0.040 0.000 0.764 625 A CB 1.633 20.676 19.000 0.071 0.000 1.230 625 A HN 0.756 nan 8.150 nan 0.000 0.448 626 T N 3.702 118.309 114.554 0.087 0.000 2.863 626 T HA 0.706 5.057 4.350 0.001 0.000 0.285 626 T C -2.791 171.878 174.700 -0.051 0.000 1.009 626 T CA -1.297 60.835 62.100 0.053 0.000 0.989 626 T CB 1.836 70.671 68.868 -0.055 0.000 1.004 626 T HN 0.567 nan 8.240 nan 0.000 0.455 627 P HA 0.414 nan 4.420 nan 0.000 0.279 627 P C -0.971 176.136 177.300 -0.321 0.000 1.276 627 P CA -0.720 62.008 63.100 -0.620 0.000 0.801 627 P CB 1.098 32.448 31.700 -0.584 0.000 1.127 628 L N 1.695 122.730 121.223 -0.314 0.000 2.295 628 L HA 0.296 4.636 4.340 0.001 0.000 0.281 628 L C 1.613 178.377 176.870 -0.176 0.000 1.018 628 L CA -0.505 54.201 54.840 -0.225 0.000 0.841 628 L CB 0.905 42.827 42.059 -0.228 0.000 1.218 628 L HN 0.281 nan 8.230 nan 0.000 0.424 629 L N 0.762 121.896 121.223 -0.148 0.000 2.270 629 L HA 0.060 4.401 4.340 0.001 0.000 0.210 629 L C 0.885 177.695 176.870 -0.100 0.000 1.104 629 L CA 0.471 55.245 54.840 -0.109 0.000 0.804 629 L CB -0.052 41.940 42.059 -0.111 0.000 0.937 629 L HN 0.619 nan 8.230 nan 0.000 0.450 630 D N 1.794 122.124 120.400 -0.117 0.000 2.336 630 D HA 0.059 4.699 4.640 0.001 0.000 0.249 630 D C -1.478 174.761 176.300 -0.102 0.000 1.213 630 D CA -2.068 51.867 54.000 -0.108 0.000 0.870 630 D CB 1.558 42.281 40.800 -0.127 0.000 1.076 630 D HN -0.038 nan 8.370 nan 0.000 0.483 631 P HA -0.157 nan 4.420 nan 0.000 0.221 631 P C 1.096 178.355 177.300 -0.069 0.000 1.145 631 P CA 0.822 63.881 63.100 -0.068 0.000 0.795 631 P CB 0.461 32.131 31.700 -0.049 0.000 0.775 632 R N -0.528 119.926 120.500 -0.077 0.000 2.092 632 R HA 0.039 4.380 4.340 0.001 0.000 0.231 632 R C 2.635 178.888 176.300 -0.078 0.000 1.119 632 R CA 0.967 57.023 56.100 -0.073 0.000 0.970 632 R CB -0.642 29.603 30.300 -0.092 0.000 0.864 632 R HN 0.254 nan 8.270 nan 0.000 0.440 633 L N 0.382 121.539 121.223 -0.110 0.000 2.131 633 L HA -0.074 4.266 4.340 0.001 0.000 0.206 633 L C 2.514 179.303 176.870 -0.135 0.000 1.087 633 L CA 1.035 55.800 54.840 -0.126 0.000 0.767 633 L CB -0.398 41.563 42.059 -0.164 0.000 0.917 633 L HN 0.118 nan 8.230 nan 0.000 0.441 634 K N 0.397 120.718 120.400 -0.133 0.000 2.044 634 K HA -0.304 4.016 4.320 0.001 0.000 0.210 634 K C 2.253 178.791 176.600 -0.104 0.000 1.049 634 K CA 1.886 58.093 56.287 -0.133 0.000 0.927 634 K CB -0.051 32.383 32.500 -0.109 0.000 0.713 634 K HN 0.027 nan 8.250 nan 0.000 0.443 635 Q N 0.929 120.687 119.800 -0.070 0.000 2.124 635 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 635 Q C 2.010 177.993 176.000 -0.027 0.000 0.977 635 Q CA 1.787 57.565 55.803 -0.042 0.000 0.850 635 Q CB -0.206 28.522 28.738 -0.017 0.000 0.901 635 Q HN 0.342 nan 8.270 nan 0.000 0.429 636 R N -0.950 119.546 120.500 -0.007 0.000 2.091 636 R HA -0.121 4.219 4.340 0.001 0.000 0.238 636 R C 1.976 178.255 176.300 -0.034 0.000 1.136 636 R CA 1.652 57.792 56.100 0.066 0.000 0.959 636 R CB -0.283 30.065 30.300 0.080 0.000 0.856 636 R HN 0.235 nan 8.270 nan 0.000 0.437 637 V N 1.394 121.234 119.914 -0.123 0.000 2.295 637 V HA -0.246 3.874 4.120 0.001 0.000 0.246 637 V C 2.407 178.416 176.094 -0.142 0.000 1.049 637 V CA 1.727 63.912 62.300 -0.193 0.000 1.024 637 V CB -0.412 31.208 31.823 -0.338 0.000 0.648 637 V HN 0.349 nan 8.190 nan 0.000 0.447 638 L N -0.138 121.013 121.223 -0.120 0.000 2.042 638 L HA -0.218 4.122 4.340 0.001 0.000 0.210 638 L C 2.420 179.219 176.870 -0.118 0.000 1.076 638 L CA 1.676 56.458 54.840 -0.098 0.000 0.749 638 L CB -0.827 41.185 42.059 -0.079 0.000 0.893 638 L HN 0.365 nan 8.230 nan 0.000 0.432 639 D N 0.277 120.577 120.400 -0.166 0.000 2.117 639 D HA -0.170 4.471 4.640 0.001 0.000 0.197 639 D C 2.265 178.347 176.300 -0.364 0.000 0.987 639 D CA 1.329 55.155 54.000 -0.289 0.000 0.829 639 D CB -0.141 40.380 40.800 -0.465 0.000 0.961 639 D HN 0.329 nan 8.370 nan 0.000 0.460 640 I N 0.844 121.202 120.570 -0.353 0.000 2.226 640 I HA -0.220 3.950 4.170 0.001 0.000 0.245 640 I C 2.199 178.249 176.117 -0.110 0.000 1.100 640 I CA 0.490 61.630 61.300 -0.266 0.000 1.374 640 I CB -0.024 37.844 38.000 -0.220 0.000 1.057 640 I HN -0.018 nan 8.210 nan 0.000 0.413 641 I N 0.421 120.960 120.570 -0.052 0.000 2.226 641 I HA -0.280 3.891 4.170 0.001 0.000 0.245 641 I C 2.190 178.393 176.117 0.143 0.000 1.100 641 I CA 1.591 62.940 61.300 0.081 0.000 1.374 641 I CB -1.325 36.727 38.000 0.087 0.000 1.057 641 I HN 0.266 nan 8.210 nan 0.000 0.413 642 D N 1.020 121.437 120.400 0.028 0.000 2.116 642 D HA -0.181 4.459 4.640 0.001 0.000 0.193 642 D C 2.349 178.673 176.300 0.039 0.000 0.998 642 D CA 1.295 55.311 54.000 0.027 0.000 0.836 642 D CB -0.128 40.646 40.800 -0.044 0.000 0.951 642 D HN 0.322 nan 8.370 nan 0.000 0.449 643 I N 0.520 121.072 120.570 -0.031 0.000 2.226 643 I HA -0.251 3.919 4.170 0.001 0.000 0.245 643 I C 2.494 178.613 176.117 0.003 0.000 1.100 643 I CA 0.613 61.896 61.300 -0.028 0.000 1.374 643 I CB -0.162 37.790 38.000 -0.080 0.000 1.057 643 I HN -0.002 nan 8.210 nan 0.000 0.413 644 L N -0.410 120.815 121.223 0.003 0.000 2.012 644 L HA -0.220 4.121 4.340 0.001 0.000 0.210 644 L C 2.255 179.047 176.870 -0.131 0.000 1.073 644 L CA 1.586 56.386 54.840 -0.066 0.000 0.748 644 L CB -0.526 41.466 42.059 -0.113 0.000 0.891 644 L HN 0.134 nan 8.230 nan 0.000 0.431 645 F N -0.486 119.447 119.950 -0.029 0.000 2.771 645 F HA -0.095 4.433 4.527 0.000 0.000 0.299 645 F C 2.336 178.120 175.800 -0.027 0.000 1.177 645 F CA 0.824 58.806 58.000 -0.029 0.000 1.450 645 F CB -0.184 38.798 39.000 -0.029 0.000 1.114 645 F HN 0.127 nan 8.300 nan 0.000 0.587 646 S N -2.288 113.473 115.700 0.101 0.000 2.554 646 S HA 0.020 4.490 4.470 0.001 0.000 0.226 646 S C 0.368 174.978 174.600 0.016 0.000 0.980 646 S CA -0.613 57.622 58.200 0.058 0.000 0.939 646 S CB -0.356 62.870 63.200 0.045 0.000 0.832 646 S HN 0.206 nan 8.310 nan 0.000 0.486 647 D N 2.950 123.342 120.400 -0.014 0.000 2.425 647 D HA 0.061 4.701 4.640 0.001 0.000 0.247 647 D C 0.269 176.546 176.300 -0.039 0.000 1.147 647 D CA 0.832 54.814 54.000 -0.031 0.000 0.879 647 D CB 1.120 41.885 40.800 -0.058 0.000 1.179 647 D HN 0.434 nan 8.370 nan 0.000 0.456 648 T N 0.526 115.066 114.554 -0.022 0.000 3.393 648 T HA 0.288 4.639 4.350 0.001 0.000 0.298 648 T C 0.759 175.456 174.700 -0.004 0.000 1.004 648 T CA -0.458 61.629 62.100 -0.022 0.000 0.956 648 T CB 0.094 68.955 68.868 -0.012 0.000 1.182 648 T HN 0.191 nan 8.240 nan 0.000 0.497 649 V N 0.016 119.935 119.914 0.008 0.000 3.229 649 V HA 0.374 4.494 4.120 0.001 0.000 0.239 649 V C 1.669 177.821 176.094 0.096 0.000 1.390 649 V CA -0.098 62.218 62.300 0.027 0.000 1.231 649 V CB 0.568 32.394 31.823 0.004 0.000 1.025 649 V HN 0.196 nan 8.190 nan 0.000 0.461 650 K N 0.705 121.135 120.400 0.050 0.000 2.402 650 K HA 0.479 4.799 4.320 0.001 0.000 0.203 650 K C 0.682 177.226 176.600 -0.093 0.000 1.077 650 K CA 0.474 56.779 56.287 0.030 0.000 1.051 650 K CB 1.163 33.657 32.500 -0.010 0.000 0.907 650 K HN 0.347 nan 8.250 nan 0.000 0.554 651 A N 2.031 124.786 122.820 -0.108 0.000 2.450 651 A HA 0.370 4.690 4.320 0.001 0.000 0.255 651 A C -0.223 177.170 177.584 -0.317 0.000 1.096 651 A CA 0.114 52.026 52.037 -0.208 0.000 0.778 651 A CB 0.157 19.033 19.000 -0.208 0.000 1.031 651 A HN 0.145 nan 8.150 nan 0.000 0.494 652 R N 0.793 121.083 120.500 -0.350 0.000 2.740 652 R HA 0.473 4.813 4.340 0.001 0.000 0.282 652 R C -1.347 174.820 176.300 -0.223 0.000 0.969 652 R CA -0.424 55.446 56.100 -0.383 0.000 0.918 652 R CB 1.565 31.604 30.300 -0.435 0.000 1.175 652 R HN 0.798 nan 8.270 nan 0.000 0.464 653 Y N 1.755 121.993 120.300 -0.103 0.000 2.301 653 Y HA 0.305 4.855 4.550 0.001 0.000 0.328 653 Y C 0.516 176.385 175.900 -0.052 0.000 1.242 653 Y CA -0.481 57.588 58.100 -0.052 0.000 1.323 653 Y CB 0.976 39.422 38.460 -0.023 0.000 1.266 653 Y HN 0.252 nan 8.280 nan 0.000 0.527 654 I N 3.004 123.679 120.570 0.175 0.000 2.354 654 I HA 0.235 4.406 4.170 0.001 0.000 0.292 654 I C -1.116 175.040 176.117 0.065 0.000 0.989 654 I CA -0.406 60.944 61.300 0.083 0.000 1.188 654 I CB 1.214 39.253 38.000 0.066 0.000 1.342 654 I HN 0.665 nan 8.210 nan 0.000 0.457 655 D N 3.096 123.522 120.400 0.043 0.000 2.579 655 D HA 0.285 4.925 4.640 0.001 0.000 0.257 655 D C 0.144 176.459 176.300 0.024 0.000 1.176 655 D CA -0.992 53.019 54.000 0.018 0.000 0.914 655 D CB 1.009 41.809 40.800 -0.000 0.000 1.431 655 D HN 0.437 nan 8.370 nan 0.000 0.454 656 K N -0.532 119.877 120.400 0.015 0.000 2.283 656 K HA -0.061 4.259 4.320 0.001 0.000 0.202 656 K C 0.549 177.161 176.600 0.018 0.000 1.048 656 K CA 1.084 57.383 56.287 0.020 0.000 0.948 656 K CB -0.184 32.319 32.500 0.005 0.000 0.742 656 K HN 0.280 nan 8.250 nan 0.000 0.458 657 E N 1.258 121.466 120.200 0.012 0.000 2.481 657 E HA 0.132 4.483 4.350 0.001 0.000 0.195 657 E C 0.210 176.820 176.600 0.016 0.000 1.047 657 E CA 0.159 56.567 56.400 0.012 0.000 0.867 657 E CB -0.232 29.472 29.700 0.007 0.000 0.858 657 E HN 0.235 nan 8.360 nan 0.000 0.513 658 L N 0.903 122.137 121.223 0.019 0.000 3.976 658 L HA -0.331 4.010 4.340 0.001 0.000 0.418 658 L C 1.509 178.379 176.870 0.000 0.000 1.177 658 L CA 0.483 55.331 54.840 0.013 0.000 0.968 658 L CB -2.470 39.601 42.059 0.019 0.000 1.933 658 L HN 0.318 nan 8.230 nan 0.000 0.976 659 S N -1.114 114.591 115.700 0.007 0.000 2.419 659 S HA -0.184 4.287 4.470 0.001 0.000 0.235 659 S C 1.276 175.871 174.600 -0.008 0.000 1.019 659 S CA 1.077 59.281 58.200 0.007 0.000 0.982 659 S CB -0.131 63.082 63.200 0.022 0.000 0.789 659 S HN 0.701 nan 8.310 nan 0.000 0.490 660 N N 0.973 119.657 118.700 -0.026 0.000 2.741 660 N HA -0.142 4.599 4.740 0.001 0.000 0.250 660 N C -0.553 174.902 175.510 -0.092 0.000 1.115 660 N CA 0.777 53.771 53.050 -0.094 0.000 0.724 660 N CB -1.328 37.078 38.487 -0.135 0.000 1.090 660 N HN 0.662 nan 8.380 nan 0.000 0.558 661 R N -0.182 120.330 120.500 0.020 0.000 2.698 661 R HA 0.042 4.382 4.340 0.001 0.000 0.266 661 R C 0.144 176.473 176.300 0.049 0.000 1.026 661 R CA 0.298 56.460 56.100 0.104 0.000 1.102 661 R CB 0.250 30.649 30.300 0.166 0.000 0.978 661 R HN 0.090 nan 8.270 nan 0.000 0.436 662 Y N 0.422 120.704 120.300 -0.030 0.000 2.301 662 Y HA 0.084 4.634 4.550 0.000 0.000 0.328 662 Y C 0.567 176.358 175.900 -0.181 0.000 1.242 662 Y CA -0.411 57.621 58.100 -0.114 0.000 1.323 662 Y CB 0.963 39.364 38.460 -0.098 0.000 1.266 662 Y HN 0.213 nan 8.280 nan 0.000 0.527 663 V N 5.798 125.565 119.914 -0.245 0.000 2.446 663 V HA 0.093 4.213 4.120 0.001 0.000 0.276 663 V C -2.030 174.009 176.094 -0.091 0.000 1.030 663 V CA -1.572 60.460 62.300 -0.446 0.000 1.033 663 V CB 0.007 31.476 31.823 -0.590 0.000 0.993 663 V HN 0.592 nan 8.190 nan 0.000 0.477 664 P HA 0.233 nan 4.420 nan 0.000 0.271 664 P C -0.521 176.797 177.300 0.029 0.000 1.216 664 P CA -0.413 62.716 63.100 0.048 0.000 0.776 664 P CB 0.391 32.145 31.700 0.091 0.000 0.881 665 R N 1.776 122.285 120.500 0.014 0.000 2.229 665 R HA 0.602 4.942 4.340 0.001 0.000 0.328 665 R C 0.713 177.025 176.300 0.019 0.000 1.009 665 R CA -0.650 55.458 56.100 0.012 0.000 0.864 665 R CB 0.599 30.900 30.300 0.001 0.000 1.085 665 R HN 0.478 nan 8.270 nan 0.000 0.453 666 G N 1.992 110.808 108.800 0.026 0.000 2.792 666 G HA2 -0.167 3.793 3.960 0.001 0.000 0.147 666 G HA3 -0.167 3.793 3.960 0.001 0.000 0.147 666 G C 0.338 175.247 174.900 0.015 0.000 1.838 666 G CA -0.242 44.873 45.100 0.024 0.000 0.980 666 G HN 0.697 nan 8.290 nan 0.000 0.436 667 N N 0.797 119.506 118.700 0.014 0.000 2.273 667 N HA 0.098 4.839 4.740 0.001 0.000 0.231 667 N C 0.026 175.543 175.510 0.011 0.000 1.134 667 N CA -0.114 52.942 53.050 0.010 0.000 0.856 667 N CB 0.361 38.853 38.487 0.009 0.000 1.068 667 N HN 0.462 nan 8.380 nan 0.000 0.510 668 R N 0.345 120.854 120.500 0.014 0.000 2.404 668 R HA 0.393 4.734 4.340 0.001 0.000 0.291 668 R C -0.048 176.260 176.300 0.012 0.000 1.025 668 R CA -0.668 55.441 56.100 0.015 0.000 0.991 668 R CB 1.339 31.651 30.300 0.020 0.000 1.053 668 R HN -0.113 nan 8.270 nan 0.000 0.479 669 R N 1.770 122.277 120.500 0.012 0.000 2.505 669 R HA -0.141 4.199 4.340 0.001 0.000 0.274 669 R C 0.124 176.429 176.300 0.009 0.000 0.955 669 R CA 0.779 56.885 56.100 0.011 0.000 1.109 669 R CB 0.292 30.601 30.300 0.015 0.000 0.890 669 R HN 0.534 nan 8.270 nan 0.000 0.415 670 K N 2.920 123.323 120.400 0.005 0.000 2.383 670 K HA 0.116 4.437 4.320 0.001 0.000 0.286 670 K C -0.973 175.631 176.600 0.006 0.000 1.051 670 K CA -0.023 56.265 56.287 0.001 0.000 0.974 670 K CB 0.615 33.113 32.500 -0.004 0.000 0.968 670 K HN 0.239 nan 8.250 nan 0.000 0.475 671 V N 5.471 125.388 119.914 0.006 0.000 2.638 671 V HA 0.342 4.462 4.120 0.001 0.000 0.306 671 V C -0.522 175.577 176.094 0.009 0.000 1.052 671 V CA -0.872 61.435 62.300 0.011 0.000 0.885 671 V CB 1.780 33.611 31.823 0.014 0.000 0.999 671 V HN 0.749 nan 8.190 nan 0.000 0.424 672 R N 3.288 123.798 120.500 0.017 0.000 2.312 672 R HA 0.588 4.928 4.340 0.001 0.000 0.310 672 R C 1.161 177.483 176.300 0.038 0.000 1.064 672 R CA 0.336 56.447 56.100 0.018 0.000 0.983 672 R CB 1.159 31.467 30.300 0.014 0.000 1.139 672 R HN 0.939 nan 8.270 nan 0.000 0.536 673 A N 3.491 126.330 122.820 0.032 0.000 1.879 673 A HA -0.344 3.977 4.320 0.001 0.000 0.222 673 A C 1.707 179.360 177.584 0.114 0.000 1.368 673 A CA 1.952 54.020 52.037 0.052 0.000 0.707 673 A CB -0.624 18.396 19.000 0.033 0.000 0.846 673 A HN 0.884 nan 8.150 nan 0.000 0.468 674 Q N -0.869 119.027 119.800 0.160 0.000 2.173 674 Q HA -0.194 4.146 4.340 0.001 0.000 0.208 674 Q C 2.217 178.406 176.000 0.316 0.000 0.989 674 Q CA 1.675 57.664 55.803 0.310 0.000 0.872 674 Q CB -0.386 28.466 28.738 0.190 0.000 0.909 674 Q HN 0.733 nan 8.270 nan 0.000 0.420 675 L N -0.174 121.144 121.223 0.159 0.000 2.072 675 L HA -0.117 4.223 4.340 0.001 0.000 0.205 675 L C 2.501 179.489 176.870 0.198 0.000 1.079 675 L CA 0.842 55.772 54.840 0.150 0.000 0.752 675 L CB -0.457 41.635 42.059 0.055 0.000 0.906 675 L HN 0.191 nan 8.230 nan 0.000 0.436 676 A N 0.112 123.016 122.820 0.140 0.000 1.898 676 A HA -0.166 4.154 4.320 0.001 0.000 0.216 676 A C 2.193 179.864 177.584 0.145 0.000 1.181 676 A CA 1.337 53.450 52.037 0.127 0.000 0.620 676 A CB -0.628 18.417 19.000 0.075 0.000 0.819 676 A HN 0.340 nan 8.150 nan 0.000 0.442 677 I N -1.951 118.679 120.570 0.100 0.000 2.163 677 I HA -0.287 3.884 4.170 0.001 0.000 0.243 677 I C 2.457 178.576 176.117 0.005 0.000 1.085 677 I CA 1.835 63.120 61.300 -0.025 0.000 1.347 677 I CB -0.418 37.418 38.000 -0.272 0.000 1.044 677 I HN 0.538 nan 8.210 nan 0.000 0.408 678 Y N 2.004 122.356 120.300 0.087 0.000 2.165 678 Y HA -0.332 4.218 4.550 0.001 0.000 0.286 678 Y C 2.246 178.235 175.900 0.148 0.000 1.155 678 Y CA 1.841 60.089 58.100 0.247 0.000 1.164 678 Y CB -0.336 38.337 38.460 0.354 0.000 0.978 678 Y HN 0.234 nan 8.280 nan 0.000 0.513 679 D N -1.043 119.558 120.400 0.334 0.000 2.097 679 D HA -0.246 4.394 4.640 0.001 0.000 0.195 679 D C 1.950 178.326 176.300 0.126 0.000 0.989 679 D CA 1.722 55.862 54.000 0.233 0.000 0.827 679 D CB -0.838 40.083 40.800 0.201 0.000 0.966 679 D HN 0.485 nan 8.370 nan 0.000 0.456 680 Y N 1.717 122.024 120.300 0.012 0.000 2.128 680 Y HA -0.221 4.330 4.550 0.001 0.000 0.284 680 Y C 2.182 178.055 175.900 -0.044 0.000 1.154 680 Y CA 1.341 59.431 58.100 -0.015 0.000 1.149 680 Y CB -0.197 38.246 38.460 -0.027 0.000 0.976 680 Y HN -0.126 nan 8.280 nan 0.000 0.505 681 I N 0.503 121.025 120.570 -0.079 0.000 2.252 681 I HA -0.229 3.942 4.170 0.001 0.000 0.245 681 I C 2.278 178.267 176.117 -0.214 0.000 1.102 681 I CA 1.523 62.701 61.300 -0.203 0.000 1.385 681 I CB -1.389 36.449 38.000 -0.270 0.000 1.064 681 I HN 0.196 nan 8.210 nan 0.000 0.414 682 K N 1.379 121.640 120.400 -0.232 0.000 2.063 682 K HA -0.170 4.150 4.320 0.001 0.000 0.208 682 K C 2.375 178.932 176.600 -0.071 0.000 1.048 682 K CA 1.895 58.091 56.287 -0.152 0.000 0.928 682 K CB -0.551 31.900 32.500 -0.081 0.000 0.713 682 K HN 0.144 nan 8.250 nan 0.000 0.442 683 S N -0.364 115.280 115.700 -0.092 0.000 2.399 683 S HA -0.050 4.421 4.470 0.001 0.000 0.231 683 S C 1.729 176.253 174.600 -0.127 0.000 1.022 683 S CA 1.169 59.314 58.200 -0.092 0.000 0.983 683 S CB -0.216 62.920 63.200 -0.106 0.000 0.803 683 S HN 0.388 nan 8.310 nan 0.000 0.480 684 L N 0.635 121.744 121.223 -0.190 0.000 2.270 684 L HA 0.151 4.491 4.340 0.001 0.000 0.210 684 L C 1.622 178.490 176.870 -0.002 0.000 1.104 684 L CA 0.657 55.421 54.840 -0.127 0.000 0.804 684 L CB -0.285 41.684 42.059 -0.150 0.000 0.937 684 L HN 0.195 nan 8.230 nan 0.000 0.450 685 E N 0.795 121.012 120.200 0.029 0.000 2.320 685 E HA 0.077 4.428 4.350 0.001 0.000 0.189 685 E C -0.044 176.590 176.600 0.056 0.000 1.100 685 E CA 0.155 56.605 56.400 0.083 0.000 1.009 685 E CB -0.016 29.767 29.700 0.138 0.000 1.145 685 E HN 0.484 nan 8.360 nan 0.000 0.454 686 Q N 1.050 120.868 119.800 0.030 0.000 2.257 686 Q HA 0.285 4.625 4.340 0.001 0.000 0.255 686 Q C -2.226 173.790 176.000 0.028 0.000 0.920 686 Q CA -2.041 53.780 55.803 0.030 0.000 0.927 686 Q CB 0.796 29.546 28.738 0.019 0.000 1.229 686 Q HN -0.086 nan 8.270 nan 0.000 0.433 687 P HA -0.187 nan 4.420 nan 0.000 0.255 687 P C -0.614 176.695 177.300 0.015 0.000 1.132 687 P CA 0.787 63.899 63.100 0.020 0.000 0.766 687 P CB 0.330 32.040 31.700 0.018 0.000 0.715 688 E N 0.000 120.208 120.200 0.013 0.000 2.725 688 E HA 0.000 4.350 4.350 0.001 0.000 0.291 688 E CA 0.000 56.408 56.400 0.014 0.000 0.976 688 E CB 0.000 29.707 29.700 0.012 0.000 0.812 688 E HN 0.000 nan 8.360 nan 0.000 0.440