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 1fwx_1_C DATA FIRST_RESID 9 DATA SEQUENCE DGSVAPGQLD DYYGFWSSGQ SGEMRILGIP SMRELMRVPV FNRCSATGWG DATA SEQUENCE QTNESVRIHE RTMSHDNGDL HHVHMSFTEG KYDGRFLFMN DKANTRVARV DATA SEQUENCE RCDVMKCDAI LEIPNAKGIH GLRPQKWPRS NYVFCNGEDE TPLVNDGTNM DATA SEQUENCE EDVAYVNVFT AVDADKWEVA WQVLVSGNLD NCDADYEGKW AFSTSYNSEK DATA SEQUENCE GMTLPEMTAA EMDHIVVFNI AEIEKAIAAG DYQELNGVXX KVVDGRKESL DATA SEQUENCE FTRYIPIANN PHGCNMAPDK KHLCVAGKLS PTVTVLDVTR FDAVFYENAX DATA SEQUENCE PRSAVVAEPE LGLGPLHTAF DGRGNAYTSL FLDSQVVKWN IEDAIRAYAG DATA SEQUENCE EKVDPIKDKL DVHYQPGHLK TVMGETLDAT NDWLVCLSKF SKDRFLNVGP DATA SEQUENCE LKPENDQLID ISGDKMVLVH DGPTFAEPHD AIAVHPSILS DIKSVWDRND DATA SEQUENCE PMWAETRAQA EADGVDIDNE EVIRDGNKVR VYMSSVAPSF SIESFTVKEG DATA SEQUENCE DEVTVIVTNL DEIDDLTHGF TMGNYGVAME IGPQMTSSVT FVAANPGVYW DATA SEQUENCE YYCQWFCHAL HMEMRGRMLV EPKXXXXXXX XXXXXXXXXX XWTXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XASXXXXXXX XXXXXXXXXX XXXXXXXXXX XNXXXXXXXX XDXXXXXXXX DATA SEQUENCE XERTKKFLAA NGKRI 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.476 176.300 0.293 0.000 2.045 9 D CA 0.000 54.117 54.000 0.195 0.000 0.868 9 D CB 0.000 40.866 40.800 0.110 0.000 0.688 10 G N 0.095 109.031 108.800 0.227 0.000 3.026 10 G HA2 0.084 4.043 3.960 -0.000 0.000 0.208 10 G HA3 0.084 4.043 3.960 -0.000 0.000 0.208 10 G C 0.578 175.659 174.900 0.302 0.000 1.169 10 G CA 0.246 45.468 45.100 0.204 0.000 0.788 10 G HN 0.368 nan 8.290 nan 0.000 0.533 11 S N -0.291 115.553 115.700 0.240 0.000 2.548 11 S HA 0.508 4.978 4.470 -0.000 0.000 0.277 11 S C -0.439 174.186 174.600 0.041 0.000 1.315 11 S CA -0.584 57.686 58.200 0.117 0.000 1.050 11 S CB 2.124 65.386 63.200 0.103 0.000 0.918 11 S HN -0.008 nan 8.310 nan 0.000 0.497 12 V N 2.925 122.828 119.914 -0.019 0.000 2.349 12 V HA 0.654 4.774 4.120 -0.000 0.000 0.284 12 V C 0.637 176.705 176.094 -0.043 0.000 1.014 12 V CA -0.599 61.678 62.300 -0.039 0.000 0.826 12 V CB 0.596 32.371 31.823 -0.079 0.000 1.009 12 V HN 1.206 nan 8.190 nan 0.000 0.431 13 A N 7.129 129.932 122.820 -0.028 0.000 2.313 13 A HA 0.747 5.067 4.320 -0.000 0.000 0.261 13 A C -2.439 175.121 177.584 -0.040 0.000 1.090 13 A CA -1.399 50.621 52.037 -0.029 0.000 0.807 13 A CB -0.070 18.920 19.000 -0.017 0.000 1.055 13 A HN 0.641 nan 8.150 nan 0.000 0.492 14 P HA 0.277 nan 4.420 nan 0.000 0.264 14 P C 0.933 178.209 177.300 -0.039 0.000 1.193 14 P CA 1.920 64.995 63.100 -0.043 0.000 0.763 14 P CB 0.636 32.313 31.700 -0.038 0.000 0.810 15 G N 1.662 110.436 108.800 -0.044 0.000 2.241 15 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 15 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 15 G C 0.088 174.962 174.900 -0.043 0.000 0.998 15 G CA -0.323 44.753 45.100 -0.040 0.000 0.621 15 G HN 0.567 nan 8.290 nan 0.000 0.519 16 Q N -0.120 119.651 119.800 -0.048 0.000 2.205 16 Q HA 0.781 5.121 4.340 -0.000 0.000 0.249 16 Q C 0.011 175.966 176.000 -0.074 0.000 0.948 16 Q CA -0.498 55.274 55.803 -0.052 0.000 0.895 16 Q CB 1.806 30.520 28.738 -0.041 0.000 1.249 16 Q HN 0.386 nan 8.270 nan 0.000 0.458 17 L N 0.404 121.573 121.223 -0.089 0.000 2.319 17 L HA 0.442 4.782 4.340 -0.000 0.000 0.267 17 L C -0.103 176.678 176.870 -0.148 0.000 1.011 17 L CA -1.034 53.730 54.840 -0.126 0.000 0.818 17 L CB 1.641 43.618 42.059 -0.135 0.000 1.316 17 L HN 0.537 nan 8.230 nan 0.000 0.432 18 D N 0.510 120.793 120.400 -0.196 0.000 2.368 18 D HA -0.010 4.630 4.640 -0.000 0.000 0.240 18 D C -0.158 175.996 176.300 -0.245 0.000 1.169 18 D CA -0.014 53.863 54.000 -0.204 0.000 0.906 18 D CB 1.469 42.121 40.800 -0.246 0.000 1.187 18 D HN 0.520 nan 8.370 nan 0.000 0.435 19 D N -0.149 120.107 120.400 -0.239 0.000 2.305 19 D HA -0.010 4.629 4.640 -0.000 0.000 0.206 19 D C -0.064 175.796 176.300 -0.733 0.000 0.974 19 D CA 0.934 54.647 54.000 -0.477 0.000 0.871 19 D CB 0.451 40.962 40.800 -0.482 0.000 0.947 19 D HN 0.391 nan 8.370 nan 0.000 0.516 20 Y N -1.301 118.918 120.300 -0.135 0.000 2.588 20 Y HA 0.348 4.898 4.550 -0.000 0.000 0.343 20 Y C -0.722 175.084 175.900 -0.157 0.000 1.065 20 Y CA -1.305 56.747 58.100 -0.080 0.000 1.038 20 Y CB 0.975 39.457 38.460 0.036 0.000 1.297 20 Y HN -0.278 nan 8.280 nan 0.000 0.467 21 Y N 0.587 120.888 120.300 0.002 0.000 2.308 21 Y HA 0.564 5.114 4.550 -0.000 0.000 0.329 21 Y C 0.691 176.375 175.900 -0.360 0.000 1.111 21 Y CA -0.544 57.392 58.100 -0.273 0.000 1.179 21 Y CB 1.442 39.662 38.460 -0.401 0.000 1.201 21 Y HN 0.695 nan 8.280 nan 0.000 0.483 22 G N 3.092 111.732 108.800 -0.268 0.000 2.417 22 G HA2 0.554 4.514 3.960 -0.000 0.000 0.320 22 G HA3 0.554 4.514 3.960 -0.000 0.000 0.320 22 G C -1.708 173.069 174.900 -0.205 0.000 1.204 22 G CA -0.453 44.634 45.100 -0.022 0.000 0.923 22 G HN 0.367 nan 8.290 nan 0.000 0.466 23 F N 1.901 122.034 119.950 0.304 0.000 2.347 23 F HA 0.412 4.939 4.527 -0.000 0.000 0.366 23 F C 0.096 176.029 175.800 0.222 0.000 1.107 23 F CA -1.255 56.865 58.000 0.199 0.000 1.058 23 F CB 1.272 40.279 39.000 0.011 0.000 1.236 23 F HN 0.349 nan 8.300 nan 0.000 0.456 24 W N 3.065 124.423 121.300 0.097 0.000 2.438 24 W HA 0.395 5.055 4.660 -0.000 0.000 0.324 24 W C 0.288 176.845 176.519 0.064 0.000 1.119 24 W CA -0.690 56.687 57.345 0.054 0.000 1.221 24 W CB 2.335 31.812 29.460 0.027 0.000 1.253 24 W HN 0.496 nan 8.180 nan 0.000 0.555 25 S N 0.564 116.337 115.700 0.123 0.000 2.681 25 S HA 0.342 4.811 4.470 -0.000 0.000 0.270 25 S C 0.495 175.224 174.600 0.215 0.000 1.209 25 S CA -0.159 58.122 58.200 0.134 0.000 0.988 25 S CB 1.656 64.900 63.200 0.073 0.000 1.006 25 S HN 0.437 nan 8.310 nan 0.000 0.558 26 S N -1.448 114.374 115.700 0.203 0.000 2.893 26 S HA 0.521 4.991 4.470 -0.000 0.000 0.258 26 S C 1.192 175.891 174.600 0.165 0.000 1.034 26 S CA 0.166 58.487 58.200 0.201 0.000 1.167 26 S CB -0.748 62.577 63.200 0.209 0.000 1.137 26 S HN 1.988 nan 8.310 nan 0.000 0.650 27 G N 3.730 112.643 108.800 0.188 0.000 2.611 27 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.301 27 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.301 27 G C 0.935 175.930 174.900 0.158 0.000 1.233 27 G CA 0.754 45.951 45.100 0.161 0.000 0.993 27 G HN 0.788 nan 8.290 nan 0.000 0.553 28 Q N 0.336 120.207 119.800 0.118 0.000 2.515 28 Q HA -0.001 4.339 4.340 -0.000 0.000 0.215 28 Q C 2.309 178.403 176.000 0.157 0.000 0.983 28 Q CA 2.127 58.005 55.803 0.125 0.000 0.905 28 Q CB -0.390 28.398 28.738 0.083 0.000 0.961 28 Q HN 0.486 nan 8.270 nan 0.000 0.503 29 S N 0.358 116.162 115.700 0.172 0.000 2.453 29 S HA 0.135 4.605 4.470 -0.000 0.000 0.231 29 S C 1.358 176.106 174.600 0.246 0.000 1.005 29 S CA 0.803 59.145 58.200 0.238 0.000 0.949 29 S CB -0.262 63.104 63.200 0.277 0.000 0.774 29 S HN 0.791 nan 8.310 nan 0.000 0.510 30 G N 2.201 111.158 108.800 0.262 0.000 2.166 30 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 30 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 30 G C -0.127 174.939 174.900 0.277 0.000 0.986 30 G CA 0.861 46.174 45.100 0.355 0.000 0.683 30 G HN 0.669 nan 8.290 nan 0.000 0.527 31 E N -1.278 119.037 120.200 0.191 0.000 2.299 31 E HA 0.777 5.126 4.350 -0.000 0.000 0.260 31 E C -0.013 176.641 176.600 0.090 0.000 0.944 31 E CA -1.466 54.988 56.400 0.089 0.000 0.815 31 E CB 1.399 31.152 29.700 0.090 0.000 1.252 31 E HN 0.231 nan 8.360 nan 0.000 0.418 32 M N 1.238 120.856 119.600 0.029 0.000 2.404 32 M HA 0.437 4.917 4.480 -0.000 0.000 0.338 32 M C -1.059 175.304 176.300 0.105 0.000 1.150 32 M CA -0.548 54.796 55.300 0.075 0.000 1.016 32 M CB 1.427 34.035 32.600 0.012 0.000 1.672 32 M HN 0.566 nan 8.290 nan 0.000 0.448 33 R N 3.864 124.472 120.500 0.181 0.000 2.740 33 R HA 0.708 5.048 4.340 -0.000 0.000 0.282 33 R C -1.339 175.062 176.300 0.168 0.000 0.969 33 R CA -0.691 55.491 56.100 0.138 0.000 0.918 33 R CB 2.217 32.581 30.300 0.106 0.000 1.175 33 R HN 0.694 nan 8.270 nan 0.000 0.464 34 I N 3.944 124.551 120.570 0.062 0.000 2.406 34 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 34 I C -0.478 175.549 176.117 -0.150 0.000 0.999 34 I CA -0.577 60.723 61.300 -0.001 0.000 1.124 34 I CB 1.236 39.273 38.000 0.062 0.000 1.289 34 I HN 0.278 nan 8.210 nan 0.000 0.441 35 L N 4.561 125.636 121.223 -0.248 0.000 2.301 35 L HA 0.752 5.092 4.340 -0.000 0.000 0.264 35 L C 0.316 177.001 176.870 -0.310 0.000 1.016 35 L CA -0.941 53.676 54.840 -0.372 0.000 0.821 35 L CB 1.933 43.555 42.059 -0.728 0.000 1.346 35 L HN 0.590 nan 8.230 nan 0.000 0.429 36 G N 1.397 110.011 108.800 -0.310 0.000 2.343 36 G HA2 0.619 4.579 3.960 -0.000 0.000 0.319 36 G HA3 0.619 4.579 3.960 -0.000 0.000 0.319 36 G C -0.703 174.055 174.900 -0.237 0.000 1.126 36 G CA -0.320 44.611 45.100 -0.281 0.000 0.889 36 G HN 0.211 nan 8.290 nan 0.000 0.457 37 I N 3.696 124.170 120.570 -0.160 0.000 2.441 37 I HA 0.330 4.499 4.170 -0.000 0.000 0.295 37 I C -1.675 174.369 176.117 -0.121 0.000 0.994 37 I CA -2.908 58.309 61.300 -0.137 0.000 1.144 37 I CB 2.426 40.428 38.000 0.002 0.000 1.314 37 I HN 0.317 nan 8.210 nan 0.000 0.445 38 P HA 0.007 nan 4.420 nan 0.000 0.257 38 P C 1.067 178.183 177.300 -0.306 0.000 1.281 38 P CA 0.353 63.158 63.100 -0.492 0.000 0.826 38 P CB 0.330 31.508 31.700 -0.869 0.000 1.237 39 S N -0.248 115.303 115.700 -0.247 0.000 2.419 39 S HA -0.113 4.357 4.470 -0.000 0.000 0.233 39 S C 1.408 175.807 174.600 -0.335 0.000 1.016 39 S CA 0.787 58.823 58.200 -0.273 0.000 0.974 39 S CB -1.005 62.063 63.200 -0.220 0.000 0.786 39 S HN -0.043 nan 8.310 nan 0.000 0.492 40 M N -0.831 118.583 119.600 -0.310 0.000 2.899 40 M HA -0.145 4.335 4.480 -0.000 0.000 0.195 40 M C -0.202 175.886 176.300 -0.354 0.000 0.603 40 M CA 0.850 55.947 55.300 -0.339 0.000 0.712 40 M CB -2.500 29.931 32.600 -0.281 0.000 2.569 40 M HN 0.525 nan 8.290 nan 0.000 0.406 41 R N 1.183 121.499 120.500 -0.308 0.000 2.441 41 R HA 0.391 4.730 4.340 -0.000 0.000 0.284 41 R C 0.689 176.817 176.300 -0.286 0.000 1.070 41 R CA -0.425 55.515 56.100 -0.266 0.000 1.047 41 R CB 0.937 31.109 30.300 -0.214 0.000 1.016 41 R HN 0.227 nan 8.270 nan 0.000 0.477 42 E N 3.515 123.562 120.200 -0.254 0.000 2.129 42 E HA 0.013 4.363 4.350 -0.000 0.000 0.283 42 E C 0.404 176.905 176.600 -0.164 0.000 1.080 42 E CA -0.138 56.120 56.400 -0.235 0.000 0.867 42 E CB 0.578 30.159 29.700 -0.199 0.000 1.056 42 E HN 0.543 nan 8.360 nan 0.000 0.404 43 L N 4.002 125.132 121.223 -0.154 0.000 2.307 43 L HA 0.170 4.509 4.340 -0.000 0.000 0.211 43 L C 0.644 177.485 176.870 -0.048 0.000 1.099 43 L CA 0.317 55.094 54.840 -0.105 0.000 0.816 43 L CB 0.020 42.009 42.059 -0.117 0.000 0.952 43 L HN 0.566 nan 8.230 nan 0.000 0.455 44 M N -0.914 118.665 119.600 -0.035 0.000 2.694 44 M HA 0.387 4.867 4.480 -0.000 0.000 0.276 44 M C -1.855 174.454 176.300 0.015 0.000 1.167 44 M CA -0.492 54.814 55.300 0.009 0.000 0.849 44 M CB 1.897 34.520 32.600 0.039 0.000 1.705 44 M HN -0.159 nan 8.290 nan 0.000 0.504 45 R N 1.648 122.166 120.500 0.029 0.000 2.480 45 R HA 0.789 5.129 4.340 -0.000 0.000 0.306 45 R C -1.521 174.784 176.300 0.010 0.000 0.958 45 R CA -0.961 55.155 56.100 0.027 0.000 0.861 45 R CB 2.053 32.371 30.300 0.031 0.000 1.171 45 R HN 0.505 nan 8.270 nan 0.000 0.445 46 V N 5.216 125.114 119.914 -0.027 0.000 2.328 46 V HA 0.294 4.414 4.120 -0.000 0.000 0.278 46 V C -1.876 174.087 176.094 -0.219 0.000 1.021 46 V CA -1.997 60.230 62.300 -0.122 0.000 0.838 46 V CB 1.337 33.080 31.823 -0.134 0.000 0.999 46 V HN 0.656 nan 8.190 nan 0.000 0.447 47 P HA 0.266 nan 4.420 nan 0.000 0.275 47 P C -0.072 176.732 177.300 -0.826 0.000 1.227 47 P CA 0.226 63.083 63.100 -0.404 0.000 0.781 47 P CB 2.508 34.044 31.700 -0.274 0.000 0.906 48 V N 2.077 121.722 119.914 -0.449 0.000 3.914 48 V HA 0.106 4.226 4.120 -0.000 0.000 0.187 48 V C 1.415 177.466 176.094 -0.072 0.000 1.258 48 V CA 0.733 62.737 62.300 -0.493 0.000 1.298 48 V CB -0.782 30.616 31.823 -0.708 0.000 1.453 48 V HN 0.257 nan 8.190 nan 0.000 0.553 49 F N 2.151 122.280 119.950 0.298 0.000 2.749 49 F HA 0.303 4.830 4.527 -0.000 0.000 0.300 49 F C 0.985 177.000 175.800 0.358 0.000 1.103 49 F CA -0.761 57.462 58.000 0.371 0.000 1.342 49 F CB -0.690 38.456 39.000 0.242 0.000 1.098 49 F HN 0.382 nan 8.300 nan 0.000 0.586 50 N N -0.135 118.830 118.700 0.440 0.000 2.489 50 N HA 0.406 5.145 4.740 -0.000 0.000 0.284 50 N C -0.314 175.434 175.510 0.396 0.000 1.158 50 N CA -1.012 52.251 53.050 0.355 0.000 0.965 50 N CB 0.884 39.530 38.487 0.265 0.000 1.195 50 N HN -0.110 nan 8.380 nan 0.000 0.506 51 R N 1.106 121.782 120.500 0.293 0.000 2.202 51 R HA 0.260 4.600 4.340 -0.000 0.000 0.334 51 R C -1.374 175.072 176.300 0.243 0.000 1.036 51 R CA -0.611 55.646 56.100 0.261 0.000 0.878 51 R CB 0.012 30.412 30.300 0.167 0.000 1.067 51 R HN 0.762 nan 8.270 nan 0.000 0.457 52 C N 4.788 124.267 119.300 0.298 0.000 2.227 52 C HA 0.245 4.705 4.460 -0.000 0.000 0.333 52 C C 1.852 176.963 174.990 0.203 0.000 1.145 52 C CA -0.122 59.043 59.018 0.244 0.000 1.643 52 C CB -0.703 27.210 27.740 0.288 0.000 2.185 52 C HN 1.067 nan 8.230 nan 0.000 0.497 53 S N 4.188 119.975 115.700 0.145 0.000 2.400 53 S HA -0.129 4.341 4.470 -0.000 0.000 0.232 53 S C 1.979 176.653 174.600 0.123 0.000 1.025 53 S CA 2.055 60.325 58.200 0.115 0.000 0.993 53 S CB -0.026 63.219 63.200 0.075 0.000 0.808 53 S HN 1.001 nan 8.310 nan 0.000 0.478 54 A N 0.586 123.482 122.820 0.127 0.000 1.872 54 A HA -0.007 4.313 4.320 -0.000 0.000 0.214 54 A C 2.449 180.240 177.584 0.344 0.000 1.187 54 A CA 2.023 54.135 52.037 0.124 0.000 0.614 54 A CB -1.258 17.777 19.000 0.059 0.000 0.826 54 A HN 0.741 nan 8.150 nan 0.000 0.442 55 T N -5.170 109.615 114.554 0.385 0.000 3.037 55 T HA 0.415 4.764 4.350 -0.000 0.000 0.251 55 T C 1.402 176.300 174.700 0.330 0.000 1.079 55 T CA 1.173 63.533 62.100 0.434 0.000 1.067 55 T CB 0.377 69.468 68.868 0.371 0.000 0.948 55 T HN 1.729 nan 8.240 nan 0.000 0.496 56 G N 0.514 109.490 108.800 0.293 0.000 2.175 56 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.244 56 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.244 56 G C -0.051 174.996 174.900 0.245 0.000 0.982 56 G CA -0.146 45.092 45.100 0.230 0.000 0.641 56 G HN 0.647 nan 8.290 nan 0.000 0.527 57 W N 1.192 122.573 121.300 0.136 0.000 2.347 57 W HA 0.366 5.025 4.660 -0.000 0.000 0.333 57 W C 1.115 177.728 176.519 0.157 0.000 1.383 57 W CA 1.513 58.945 57.345 0.146 0.000 1.283 57 W CB 0.049 29.595 29.460 0.144 0.000 1.253 57 W HN 1.317 nan 8.180 nan 0.000 0.563 58 G N 3.292 111.931 108.800 -0.267 0.000 2.213 58 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.226 58 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.226 58 G C 0.623 175.453 174.900 -0.116 0.000 0.992 58 G CA 0.526 45.515 45.100 -0.186 0.000 0.632 58 G HN 0.580 nan 8.290 nan 0.000 0.511 59 Q N 0.239 120.006 119.800 -0.054 0.000 2.534 59 Q HA 0.205 4.545 4.340 -0.000 0.000 0.252 59 Q C 1.431 177.420 176.000 -0.020 0.000 0.850 59 Q CA 1.114 56.909 55.803 -0.013 0.000 0.974 59 Q CB 0.409 29.175 28.738 0.046 0.000 1.205 59 Q HN 0.690 nan 8.270 nan 0.000 0.593 60 T N -0.823 113.720 114.554 -0.018 0.000 2.903 60 T HA 0.089 4.439 4.350 -0.000 0.000 0.314 60 T C 0.505 175.165 174.700 -0.068 0.000 1.078 60 T CA 0.347 62.432 62.100 -0.026 0.000 1.114 60 T CB 0.649 69.517 68.868 -0.001 0.000 0.987 60 T HN 0.285 nan 8.240 nan 0.000 0.548 61 N N 0.762 119.425 118.700 -0.062 0.000 2.244 61 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 61 N C 1.683 177.157 175.510 -0.060 0.000 1.016 61 N CA 0.923 53.935 53.050 -0.065 0.000 0.866 61 N CB -0.056 38.390 38.487 -0.069 0.000 0.980 61 N HN 0.682 nan 8.380 nan 0.000 0.430 62 E N 0.207 120.381 120.200 -0.043 0.000 2.072 62 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 62 E C 2.188 178.729 176.600 -0.098 0.000 0.985 62 E CA 1.240 57.630 56.400 -0.017 0.000 0.801 62 E CB -0.142 29.591 29.700 0.055 0.000 0.750 62 E HN 0.368 nan 8.360 nan 0.000 0.452 63 S N -0.138 115.431 115.700 -0.218 0.000 2.387 63 S HA -0.088 4.382 4.470 -0.000 0.000 0.226 63 S C 2.176 176.542 174.600 -0.391 0.000 1.026 63 S CA 0.828 58.655 58.200 -0.622 0.000 0.972 63 S CB -0.572 62.025 63.200 -1.004 0.000 0.814 63 S HN 0.072 nan 8.310 nan 0.000 0.477 64 V N 2.651 122.446 119.914 -0.198 0.000 2.287 64 V HA -0.205 3.914 4.120 -0.000 0.000 0.248 64 V C 2.934 179.006 176.094 -0.037 0.000 1.053 64 V CA 2.325 64.573 62.300 -0.086 0.000 1.027 64 V CB -0.932 30.845 31.823 -0.076 0.000 0.646 64 V HN 0.539 nan 8.190 nan 0.000 0.447 65 R N -0.171 120.297 120.500 -0.054 0.000 2.091 65 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 65 R C 2.229 178.523 176.300 -0.010 0.000 1.136 65 R CA 1.920 58.006 56.100 -0.023 0.000 0.959 65 R CB -0.319 29.968 30.300 -0.021 0.000 0.856 65 R HN 0.501 nan 8.270 nan 0.000 0.437 66 I N -0.344 120.195 120.570 -0.052 0.000 2.252 66 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 66 I C 2.278 178.385 176.117 -0.016 0.000 1.102 66 I CA 1.080 62.357 61.300 -0.039 0.000 1.385 66 I CB -0.499 37.465 38.000 -0.060 0.000 1.064 66 I HN 0.322 nan 8.210 nan 0.000 0.414 67 H N 1.028 120.079 119.070 -0.033 0.000 2.321 67 H HA -0.120 4.436 4.556 -0.000 0.000 0.300 67 H C 1.934 177.296 175.328 0.056 0.000 1.087 67 H CA 1.502 57.573 56.048 0.038 0.000 1.319 67 H CB -0.023 29.727 29.762 -0.020 0.000 1.379 67 H HN 0.443 nan 8.280 nan 0.000 0.501 68 E N 0.458 120.748 120.200 0.149 0.000 2.358 68 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 68 E C 2.235 178.876 176.600 0.068 0.000 1.010 68 E CA -0.215 56.239 56.400 0.089 0.000 0.856 68 E CB 0.153 29.880 29.700 0.045 0.000 0.795 68 E HN 0.279 nan 8.360 nan 0.000 0.504 69 R N 0.943 121.482 120.500 0.066 0.000 2.134 69 R HA -0.179 4.161 4.340 -0.000 0.000 0.248 69 R C 2.011 178.342 176.300 0.052 0.000 1.143 69 R CA 2.134 58.267 56.100 0.054 0.000 0.957 69 R CB -0.227 30.109 30.300 0.061 0.000 0.867 69 R HN 0.224 nan 8.270 nan 0.000 0.441 70 T N -2.866 111.729 114.554 0.069 0.000 3.085 70 T HA 0.295 4.645 4.350 -0.000 0.000 0.264 70 T C 0.659 175.390 174.700 0.053 0.000 1.019 70 T CA -0.410 61.720 62.100 0.050 0.000 0.910 70 T CB 0.115 69.008 68.868 0.042 0.000 1.059 70 T HN 0.006 nan 8.240 nan 0.000 0.542 71 M N 2.943 122.585 119.600 0.070 0.000 2.284 71 M HA 0.132 4.612 4.480 -0.000 0.000 0.351 71 M C 1.716 178.044 176.300 0.045 0.000 1.443 71 M CA -0.095 55.247 55.300 0.071 0.000 1.031 71 M CB 0.897 33.543 32.600 0.077 0.000 1.893 71 M HN 0.450 nan 8.290 nan 0.000 0.456 72 S N 1.954 117.680 115.700 0.042 0.000 2.489 72 S HA 0.016 4.486 4.470 -0.000 0.000 0.228 72 S C 0.346 174.965 174.600 0.031 0.000 0.995 72 S CA 0.547 58.764 58.200 0.028 0.000 0.934 72 S CB 0.024 63.237 63.200 0.021 0.000 0.771 72 S HN 0.812 nan 8.310 nan 0.000 0.522 73 H N -0.075 119.000 119.070 0.008 0.000 2.871 73 H HA 0.137 4.692 4.556 -0.000 0.000 0.251 73 H C -1.755 173.607 175.328 0.056 0.000 1.311 73 H CA 0.075 56.168 56.048 0.074 0.000 1.525 73 H CB 0.491 30.338 29.762 0.142 0.000 1.844 73 H HN 0.387 nan 8.280 nan 0.000 0.474 74 D N 0.055 120.606 120.400 0.252 0.000 2.563 74 D HA 0.102 4.742 4.640 -0.000 0.000 0.237 74 D C -0.027 176.410 176.300 0.228 0.000 1.282 74 D CA -0.240 53.878 54.000 0.197 0.000 0.816 74 D CB 0.251 41.131 40.800 0.133 0.000 1.066 74 D HN 0.586 nan 8.370 nan 0.000 0.501 75 N N -1.521 117.326 118.700 0.245 0.000 2.494 75 N HA 0.647 5.386 4.740 -0.000 0.000 0.270 75 N C -0.622 174.991 175.510 0.171 0.000 1.285 75 N CA -0.929 52.243 53.050 0.204 0.000 0.812 75 N CB 2.277 40.854 38.487 0.150 0.000 1.557 75 N HN 0.025 nan 8.380 nan 0.000 0.487 76 G N -0.446 108.457 108.800 0.173 0.000 2.660 76 G HA2 0.433 4.393 3.960 -0.000 0.000 0.290 76 G HA3 0.433 4.393 3.960 -0.000 0.000 0.290 76 G C -2.128 172.831 174.900 0.098 0.000 1.432 76 G CA -0.515 44.620 45.100 0.057 0.000 0.807 76 G HN 0.654 nan 8.290 nan 0.000 0.485 77 D N 0.027 120.443 120.400 0.025 0.000 2.346 77 D HA 0.375 5.015 4.640 -0.000 0.000 0.255 77 D C -0.880 175.542 176.300 0.203 0.000 1.276 77 D CA -0.460 53.626 54.000 0.143 0.000 0.941 77 D CB 1.281 42.163 40.800 0.138 0.000 1.199 77 D HN 0.396 nan 8.370 nan 0.000 0.537 78 L N 4.510 125.900 121.223 0.279 0.000 2.264 78 L HA 0.439 4.779 4.340 -0.000 0.000 0.287 78 L C 0.116 177.127 176.870 0.235 0.000 1.039 78 L CA 0.233 55.248 54.840 0.291 0.000 0.829 78 L CB 0.547 42.830 42.059 0.373 0.000 1.211 78 L HN 0.462 nan 8.230 nan 0.000 0.427 79 H N 3.066 122.034 119.070 -0.170 0.000 2.418 79 H HA 0.204 4.760 4.556 -0.000 0.000 0.300 79 H C -0.271 174.902 175.328 -0.259 0.000 1.041 79 H CA 0.434 56.262 56.048 -0.367 0.000 1.364 79 H CB 0.416 29.612 29.762 -0.943 0.000 1.439 79 H HN 0.644 nan 8.280 nan 0.000 0.540 80 H N 0.232 119.365 119.070 0.106 0.000 2.529 80 H HA 0.415 4.971 4.556 -0.000 0.000 0.348 80 H C -1.017 174.283 175.328 -0.047 0.000 1.079 80 H CA -0.862 55.173 56.048 -0.021 0.000 1.198 80 H CB 2.571 32.395 29.762 0.104 0.000 1.521 80 H HN -0.118 nan 8.280 nan 0.000 0.514 81 V N 4.657 124.471 119.914 -0.167 0.000 2.483 81 V HA 0.232 4.352 4.120 -0.000 0.000 0.297 81 V C -0.500 175.321 176.094 -0.456 0.000 1.027 81 V CA -0.681 61.520 62.300 -0.165 0.000 0.855 81 V CB 1.101 32.884 31.823 -0.068 0.000 0.995 81 V HN 0.836 nan 8.190 nan 0.000 0.424 82 H N 4.148 123.305 119.070 0.145 0.000 2.768 82 H HA 0.542 5.098 4.556 -0.000 0.000 0.371 82 H C -0.497 174.847 175.328 0.025 0.000 1.151 82 H CA -0.658 55.499 56.048 0.183 0.000 1.165 82 H CB 2.517 32.503 29.762 0.372 0.000 1.722 82 H HN 0.593 nan 8.280 nan 0.000 0.543 83 M N 1.416 121.017 119.600 0.001 0.000 2.444 83 M HA 0.294 4.774 4.480 -0.000 0.000 0.319 83 M C 0.094 176.465 176.300 0.119 0.000 1.183 83 M CA -0.558 54.557 55.300 -0.308 0.000 1.032 83 M CB 0.991 33.076 32.600 -0.858 0.000 1.569 83 M HN 0.665 nan 8.290 nan 0.000 0.468 84 S N 1.938 117.656 115.700 0.029 0.000 2.579 84 S HA 0.390 4.860 4.470 -0.000 0.000 0.275 84 S C -0.736 174.080 174.600 0.360 0.000 1.345 84 S CA -0.407 58.040 58.200 0.412 0.000 1.031 84 S CB 0.166 63.541 63.200 0.293 0.000 0.892 84 S HN 0.472 nan 8.310 nan 0.000 0.529 85 F N 0.057 120.157 119.950 0.249 0.000 2.523 85 F HA 0.611 5.138 4.527 -0.000 0.000 0.329 85 F C 0.657 176.493 175.800 0.060 0.000 1.061 85 F CA -0.670 57.433 58.000 0.172 0.000 0.967 85 F CB 2.459 41.543 39.000 0.140 0.000 1.218 85 F HN 0.546 nan 8.300 nan 0.000 0.480 86 T N 1.429 116.104 114.554 0.202 0.000 3.170 86 T HA 0.260 4.610 4.350 -0.000 0.000 0.315 86 T C -1.025 173.644 174.700 -0.051 0.000 0.967 86 T CA -0.852 61.257 62.100 0.015 0.000 1.024 86 T CB 0.725 69.580 68.868 -0.021 0.000 1.018 86 T HN 0.638 nan 8.240 nan 0.000 0.449 87 E N 1.828 121.852 120.200 -0.294 0.000 2.230 87 E HA -0.247 4.103 4.350 -0.000 0.000 0.206 87 E C 1.070 177.771 176.600 0.169 0.000 1.309 87 E CA 0.753 56.791 56.400 -0.603 0.000 0.697 87 E CB -1.442 27.904 29.700 -0.590 0.000 1.146 87 E HN 1.282 nan 8.360 nan 0.000 0.363 88 G N 0.088 109.183 108.800 0.492 0.000 2.189 88 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.267 88 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.267 88 G C 0.146 175.394 174.900 0.579 0.000 0.975 88 G CA 1.176 46.718 45.100 0.736 0.000 0.644 88 G HN 0.348 nan 8.290 nan 0.000 0.537 89 K N -0.969 119.623 120.400 0.320 0.000 2.443 89 K HA 0.585 4.905 4.320 -0.000 0.000 0.251 89 K C -0.624 175.865 176.600 -0.185 0.000 0.972 89 K CA -1.179 55.114 56.287 0.011 0.000 0.833 89 K CB 1.397 33.928 32.500 0.051 0.000 1.317 89 K HN 0.003 nan 8.250 nan 0.000 0.441 90 Y N 1.772 121.876 120.300 -0.326 0.000 2.497 90 Y HA -0.044 4.506 4.550 -0.000 0.000 0.334 90 Y C 1.061 176.857 175.900 -0.172 0.000 1.199 90 Y CA -0.208 57.668 58.100 -0.373 0.000 1.425 90 Y CB 0.316 38.619 38.460 -0.262 0.000 1.291 90 Y HN 0.701 nan 8.280 nan 0.000 0.562 91 D N -1.424 118.988 120.400 0.021 0.000 2.469 91 D HA 0.177 4.817 4.640 -0.000 0.000 0.215 91 D C 1.436 177.675 176.300 -0.101 0.000 1.154 91 D CA 0.261 54.243 54.000 -0.028 0.000 0.832 91 D CB 0.055 40.840 40.800 -0.025 0.000 1.008 91 D HN 0.699 nan 8.370 nan 0.000 0.506 92 G N 0.926 109.638 108.800 -0.146 0.000 2.233 92 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.270 92 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.270 92 G C 1.108 175.811 174.900 -0.329 0.000 1.011 92 G CA 0.803 45.760 45.100 -0.239 0.000 0.762 92 G HN 0.435 nan 8.290 nan 0.000 0.511 93 R N -1.451 118.832 120.500 -0.362 0.000 2.064 93 R HA 0.435 4.774 4.340 -0.000 0.000 0.221 93 R C 0.731 176.535 176.300 -0.827 0.000 1.136 93 R CA 0.949 56.694 56.100 -0.593 0.000 0.980 93 R CB 0.203 30.168 30.300 -0.559 0.000 0.876 93 R HN 0.411 nan 8.270 nan 0.000 0.437 94 F N -0.566 119.124 119.950 -0.433 0.000 2.629 94 F HA 0.491 5.017 4.527 -0.000 0.000 0.316 94 F C -0.686 174.544 175.800 -0.950 0.000 1.081 94 F CA -1.215 56.380 58.000 -0.675 0.000 0.954 94 F CB 1.795 40.342 39.000 -0.756 0.000 1.337 94 F HN -0.241 nan 8.300 nan 0.000 0.474 95 L N 1.723 122.505 121.223 -0.734 0.000 2.385 95 L HA 0.558 4.897 4.340 -0.000 0.000 0.273 95 L C -1.413 175.036 176.870 -0.701 0.000 0.990 95 L CA -0.518 53.883 54.840 -0.732 0.000 0.821 95 L CB 1.918 43.620 42.059 -0.595 0.000 1.279 95 L HN 0.460 nan 8.230 nan 0.000 0.412 96 F N 3.765 123.691 119.950 -0.040 0.000 2.522 96 F HA 0.761 5.288 4.527 -0.000 0.000 0.324 96 F C 0.237 176.110 175.800 0.122 0.000 1.077 96 F CA -0.862 57.165 58.000 0.045 0.000 0.944 96 F CB 2.039 41.166 39.000 0.213 0.000 1.175 96 F HN 0.298 nan 8.300 nan 0.000 0.468 97 M N 1.058 120.881 119.600 0.373 0.000 2.578 97 M HA 0.517 4.997 4.480 -0.000 0.000 0.276 97 M C -2.089 174.434 176.300 0.373 0.000 1.245 97 M CA -0.848 54.641 55.300 0.315 0.000 0.871 97 M CB 2.529 35.258 32.600 0.215 0.000 1.722 97 M HN 0.705 nan 8.290 nan 0.000 0.473 98 N N -0.423 118.448 118.700 0.284 0.000 2.485 98 N HA 0.671 5.411 4.740 -0.000 0.000 0.280 98 N C -1.663 173.923 175.510 0.126 0.000 1.205 98 N CA -0.583 52.578 53.050 0.185 0.000 0.959 98 N CB 1.692 40.208 38.487 0.048 0.000 1.206 98 N HN 0.716 nan 8.380 nan 0.000 0.545 99 D N -1.058 119.267 120.400 -0.125 0.000 2.402 99 D HA 0.151 4.790 4.640 -0.000 0.000 0.252 99 D C -0.229 175.913 176.300 -0.264 0.000 1.294 99 D CA -0.612 53.135 54.000 -0.422 0.000 0.948 99 D CB 1.289 41.397 40.800 -1.154 0.000 1.202 99 D HN 0.688 nan 8.370 nan 0.000 0.561 100 K N 2.538 122.827 120.400 -0.185 0.000 2.296 100 K HA 0.069 4.388 4.320 -0.000 0.000 0.200 100 K C 1.523 178.046 176.600 -0.129 0.000 1.048 100 K CA 0.928 57.124 56.287 -0.151 0.000 0.966 100 K CB 0.198 32.583 32.500 -0.193 0.000 0.754 100 K HN 0.379 nan 8.250 nan 0.000 0.466 101 A N 1.409 124.145 122.820 -0.139 0.000 1.873 101 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 101 A C 1.202 178.669 177.584 -0.195 0.000 1.186 101 A CA 1.293 53.253 52.037 -0.128 0.000 0.616 101 A CB -0.114 18.826 19.000 -0.099 0.000 0.823 101 A HN 0.338 nan 8.150 nan 0.000 0.442 102 N N -0.314 118.212 118.700 -0.289 0.000 2.416 102 N HA 0.129 4.868 4.740 -0.000 0.000 0.267 102 N C -0.895 174.481 175.510 -0.222 0.000 1.294 102 N CA 0.556 53.408 53.050 -0.329 0.000 0.891 102 N CB 0.527 38.618 38.487 -0.659 0.000 1.238 102 N HN 0.243 nan 8.380 nan 0.000 0.508 103 T N 1.021 115.463 114.554 -0.187 0.000 3.357 103 T HA -0.231 4.119 4.350 -0.000 0.000 0.422 103 T C 0.191 174.824 174.700 -0.112 0.000 0.768 103 T CA 0.996 63.015 62.100 -0.135 0.000 2.153 103 T CB -1.038 67.769 68.868 -0.101 0.000 1.688 103 T HN 0.425 nan 8.240 nan 0.000 0.659 104 R N -0.401 120.015 120.500 -0.141 0.000 2.855 104 R HA 0.815 5.155 4.340 -0.000 0.000 0.266 104 R C -0.563 175.766 176.300 0.048 0.000 1.034 104 R CA -1.177 54.904 56.100 -0.033 0.000 0.944 104 R CB 2.020 32.334 30.300 0.024 0.000 1.219 104 R HN 0.275 nan 8.270 nan 0.000 0.474 105 V N -1.921 118.127 119.914 0.224 0.000 2.841 105 V HA 0.967 5.087 4.120 -0.000 0.000 0.310 105 V C -1.005 175.517 176.094 0.715 0.000 1.090 105 V CA -0.848 61.679 62.300 0.378 0.000 0.930 105 V CB 1.725 33.616 31.823 0.114 0.000 1.014 105 V HN 0.916 nan 8.190 nan 0.000 0.425 106 A N 4.010 127.254 122.820 0.708 0.000 2.423 106 A HA 0.973 5.293 4.320 -0.000 0.000 0.304 106 A C -0.527 177.053 177.584 -0.006 0.000 1.104 106 A CA -1.035 51.225 52.037 0.372 0.000 0.757 106 A CB 2.150 21.139 19.000 -0.018 0.000 1.313 106 A HN 1.116 nan 8.150 nan 0.000 0.423 107 R N 1.174 121.328 120.500 -0.577 0.000 2.670 107 R HA 0.681 5.021 4.340 -0.000 0.000 0.289 107 R C -2.089 173.897 176.300 -0.524 0.000 0.965 107 R CA -0.304 55.299 56.100 -0.827 0.000 0.899 107 R CB 1.818 31.139 30.300 -1.632 0.000 1.173 107 R HN 0.499 nan 8.270 nan 0.000 0.456 108 V N 4.580 124.242 119.914 -0.419 0.000 2.540 108 V HA 0.457 4.577 4.120 -0.000 0.000 0.302 108 V C -0.039 175.959 176.094 -0.160 0.000 1.035 108 V CA -0.900 61.225 62.300 -0.292 0.000 0.873 108 V CB 1.866 33.508 31.823 -0.301 0.000 0.992 108 V HN 0.744 nan 8.190 nan 0.000 0.428 109 R N 2.346 122.794 120.500 -0.088 0.000 2.316 109 R HA 0.199 4.539 4.340 -0.000 0.000 0.314 109 R C 0.648 176.816 176.300 -0.221 0.000 1.069 109 R CA -0.349 55.719 56.100 -0.054 0.000 0.959 109 R CB 0.517 30.788 30.300 -0.049 0.000 0.987 109 R HN 0.846 nan 8.270 nan 0.000 0.446 110 C N 1.853 120.960 119.300 -0.322 0.000 2.446 110 C HA -0.088 4.372 4.460 -0.000 0.000 0.279 110 C C 2.140 176.947 174.990 -0.305 0.000 1.366 110 C CA 0.697 59.502 59.018 -0.355 0.000 1.763 110 C CB -0.654 26.832 27.740 -0.424 0.000 1.929 110 C HN 0.887 nan 8.230 nan 0.000 0.509 111 D N 1.583 121.797 120.400 -0.311 0.000 2.178 111 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 111 D C 1.520 177.621 176.300 -0.332 0.000 0.974 111 D CA 2.041 55.865 54.000 -0.293 0.000 0.841 111 D CB -0.482 40.149 40.800 -0.281 0.000 0.953 111 D HN 0.472 nan 8.370 nan 0.000 0.478 112 V N -4.376 115.320 119.914 -0.363 0.000 3.432 112 V HA 0.339 4.458 4.120 -0.000 0.000 0.298 112 V C 0.652 176.580 176.094 -0.278 0.000 1.464 112 V CA -0.509 61.500 62.300 -0.484 0.000 1.046 112 V CB 0.012 31.290 31.823 -0.907 0.000 0.887 112 V HN -0.082 nan 8.190 nan 0.000 0.441 113 M N 0.812 120.288 119.600 -0.208 0.000 2.350 113 M HA -0.122 4.358 4.480 -0.000 0.000 0.190 113 M C -0.478 175.754 176.300 -0.113 0.000 0.710 113 M CA 1.329 56.544 55.300 -0.142 0.000 0.495 113 M CB -1.789 30.769 32.600 -0.071 0.000 1.136 113 M HN 0.602 nan 8.290 nan 0.000 0.901 114 K N -0.322 120.007 120.400 -0.119 0.000 2.498 114 K HA 0.421 4.741 4.320 -0.000 0.000 0.254 114 K C -0.482 176.011 176.600 -0.177 0.000 0.933 114 K CA -0.560 55.657 56.287 -0.116 0.000 0.806 114 K CB 2.660 35.227 32.500 0.112 0.000 1.301 114 K HN 0.441 nan 8.250 nan 0.000 0.432 115 C N 3.589 122.676 119.300 -0.356 0.000 2.648 115 C HA 0.124 4.584 4.460 -0.000 0.000 0.415 115 C C 1.249 176.212 174.990 -0.044 0.000 1.366 115 C CA 0.178 59.017 59.018 -0.298 0.000 1.756 115 C CB -0.900 26.554 27.740 -0.477 0.000 2.549 115 C HN 0.863 nan 8.230 nan 0.000 0.597 116 D N 3.861 124.210 120.400 -0.085 0.000 2.441 116 D HA 0.296 4.936 4.640 -0.000 0.000 0.210 116 D C 0.025 176.284 176.300 -0.069 0.000 1.102 116 D CA 0.469 54.462 54.000 -0.012 0.000 0.840 116 D CB 0.312 41.100 40.800 -0.020 0.000 0.990 116 D HN 0.800 nan 8.370 nan 0.000 0.505 117 A N 0.146 122.860 122.820 -0.177 0.000 2.566 117 A HA 0.638 4.958 4.320 -0.000 0.000 0.297 117 A C -1.578 175.973 177.584 -0.055 0.000 1.059 117 A CA -0.724 51.223 52.037 -0.150 0.000 0.691 117 A CB 1.125 19.938 19.000 -0.312 0.000 1.282 117 A HN 0.125 nan 8.150 nan 0.000 0.401 118 I N 1.652 122.345 120.570 0.206 0.000 2.582 118 I HA 0.558 4.728 4.170 -0.000 0.000 0.292 118 I C -1.289 175.070 176.117 0.403 0.000 1.066 118 I CA -0.856 60.659 61.300 0.358 0.000 1.053 118 I CB 2.196 40.335 38.000 0.231 0.000 1.241 118 I HN 0.605 nan 8.210 nan 0.000 0.421 119 L N 5.937 127.384 121.223 0.373 0.000 2.409 119 L HA 0.472 4.812 4.340 -0.000 0.000 0.272 119 L C -0.470 176.427 176.870 0.045 0.000 0.980 119 L CA -0.105 54.788 54.840 0.089 0.000 0.826 119 L CB 1.811 43.700 42.059 -0.284 0.000 1.268 119 L HN 0.603 nan 8.230 nan 0.000 0.407 120 E N 5.093 125.312 120.200 0.031 0.000 2.229 120 E HA 0.293 4.643 4.350 -0.000 0.000 0.283 120 E C -1.008 175.555 176.600 -0.061 0.000 1.030 120 E CA -0.654 55.754 56.400 0.014 0.000 0.836 120 E CB 0.817 30.543 29.700 0.044 0.000 1.068 120 E HN 0.551 nan 8.360 nan 0.000 0.401 121 I N 7.790 128.309 120.570 -0.085 0.000 2.304 121 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 121 I C -1.885 174.174 176.117 -0.098 0.000 1.018 121 I CA -2.506 58.718 61.300 -0.127 0.000 1.260 121 I CB 0.550 38.455 38.000 -0.157 0.000 1.390 121 I HN 0.484 nan 8.210 nan 0.000 0.475 122 P HA 0.278 nan 4.420 nan 0.000 0.276 122 P C 0.060 177.316 177.300 -0.073 0.000 1.252 122 P CA -0.021 63.036 63.100 -0.072 0.000 0.802 122 P CB 1.214 32.877 31.700 -0.063 0.000 1.035 123 N N -2.711 115.954 118.700 -0.058 0.000 1.922 123 N HA -0.230 4.510 4.740 -0.000 0.000 0.219 123 N C 0.650 176.129 175.510 -0.051 0.000 0.931 123 N CA 2.337 55.356 53.050 -0.050 0.000 3.603 123 N CB -2.229 36.233 38.487 -0.040 0.000 0.737 123 N HN 0.706 nan 8.380 nan 0.000 0.353 124 A N 2.015 124.800 122.820 -0.059 0.000 2.313 124 A HA 0.547 4.866 4.320 -0.000 0.000 0.261 124 A C 0.369 177.919 177.584 -0.057 0.000 1.090 124 A CA 0.405 52.413 52.037 -0.049 0.000 0.807 124 A CB 0.610 19.572 19.000 -0.063 0.000 1.055 124 A HN 0.164 nan 8.150 nan 0.000 0.492 125 K N -0.184 120.188 120.400 -0.046 0.000 2.513 125 K HA 0.523 4.843 4.320 -0.000 0.000 0.251 125 K C -0.174 176.401 176.600 -0.043 0.000 0.939 125 K CA 0.273 56.527 56.287 -0.056 0.000 0.793 125 K CB 1.512 33.975 32.500 -0.061 0.000 1.241 125 K HN 1.929 nan 8.250 nan 0.000 0.431 126 G N 3.667 112.432 108.800 -0.059 0.000 2.462 126 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.283 126 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.283 126 G C -0.017 174.865 174.900 -0.031 0.000 1.043 126 G CA -0.644 44.424 45.100 -0.053 0.000 1.300 126 G HN 0.405 nan 8.290 nan 0.000 0.518 127 I N 2.435 122.973 120.570 -0.054 0.000 2.581 127 I HA 0.131 4.301 4.170 -0.000 0.000 0.285 127 I C 1.280 177.394 176.117 -0.004 0.000 1.129 127 I CA 0.405 61.687 61.300 -0.029 0.000 1.397 127 I CB 0.222 38.184 38.000 -0.063 0.000 1.399 127 I HN 0.631 nan 8.210 nan 0.000 0.537 128 H N 5.444 124.475 119.070 -0.064 0.000 3.466 128 H HA 0.229 4.785 4.556 -0.000 0.000 0.213 128 H C 0.864 176.257 175.328 0.108 0.000 1.290 128 H CA 0.177 56.163 56.048 -0.104 0.000 1.639 128 H CB 0.947 30.689 29.762 -0.033 0.000 1.500 128 H HN 0.574 nan 8.280 nan 0.000 0.504 129 G N 1.437 110.263 108.800 0.044 0.000 2.391 129 G HA2 0.312 4.272 3.960 -0.000 0.000 0.234 129 G HA3 0.312 4.272 3.960 -0.000 0.000 0.234 129 G C -0.811 174.216 174.900 0.212 0.000 1.284 129 G CA 0.134 45.326 45.100 0.153 0.000 0.873 129 G HN 0.430 nan 8.290 nan 0.000 0.549 130 L N 1.989 123.375 121.223 0.272 0.000 2.588 130 L HA 0.692 5.032 4.340 -0.000 0.000 0.263 130 L C -0.745 176.243 176.870 0.197 0.000 0.935 130 L CA -0.820 54.152 54.840 0.221 0.000 0.891 130 L CB 1.410 43.620 42.059 0.252 0.000 1.318 130 L HN 0.683 nan 8.230 nan 0.000 0.409 131 R N 4.943 125.501 120.500 0.096 0.000 2.643 131 R HA 0.543 4.883 4.340 -0.000 0.000 0.269 131 R C -2.949 173.356 176.300 0.008 0.000 1.037 131 R CA -1.489 54.579 56.100 -0.052 0.000 0.894 131 R CB 2.867 33.073 30.300 -0.158 0.000 1.238 131 R HN 0.368 nan 8.270 nan 0.000 0.459 132 P HA 0.056 nan 4.420 nan 0.000 0.279 132 P C -1.296 175.901 177.300 -0.172 0.000 1.252 132 P CA -0.537 62.506 63.100 -0.095 0.000 0.811 132 P CB 0.990 32.809 31.700 0.199 0.000 1.035 133 Q N 1.424 121.087 119.800 -0.229 0.000 2.392 133 Q HA 0.036 4.376 4.340 -0.000 0.000 0.262 133 Q C 0.389 176.217 176.000 -0.286 0.000 1.003 133 Q CA 0.248 56.001 55.803 -0.082 0.000 0.888 133 Q CB 0.595 29.319 28.738 -0.023 0.000 1.260 133 Q HN 0.327 nan 8.270 nan 0.000 0.435 134 K N 2.646 122.838 120.400 -0.347 0.000 2.308 134 K HA 0.121 4.441 4.320 -0.000 0.000 0.197 134 K C -0.114 176.513 176.600 0.044 0.000 1.049 134 K CA 0.093 56.071 56.287 -0.515 0.000 0.991 134 K CB 0.660 32.714 32.500 -0.743 0.000 0.836 134 K HN 0.575 nan 8.250 nan 0.000 0.500 135 W N 2.332 123.589 121.300 -0.072 0.000 2.998 135 W HA 0.206 4.865 4.660 -0.000 0.000 0.335 135 W C -2.699 173.830 176.519 0.017 0.000 1.110 135 W CA -2.150 55.209 57.345 0.023 0.000 1.230 135 W CB 1.766 31.262 29.460 0.060 0.000 1.405 135 W HN -0.215 nan 8.180 nan 0.000 0.493 136 P HA -0.041 nan 4.420 nan 0.000 0.236 136 P C -0.122 176.903 177.300 -0.458 0.000 1.177 136 P CA 1.057 63.700 63.100 -0.762 0.000 0.773 136 P CB 1.041 32.479 31.700 -0.437 0.000 0.878 137 R N -3.051 117.341 120.500 -0.179 0.000 2.752 137 R HA 0.394 4.734 4.340 -0.000 0.000 0.277 137 R C -1.138 175.154 176.300 -0.014 0.000 1.024 137 R CA -0.715 55.348 56.100 -0.061 0.000 0.866 137 R CB -0.301 29.955 30.300 -0.074 0.000 1.278 137 R HN -0.398 nan 8.270 nan 0.000 0.473 138 S N 1.024 116.769 115.700 0.074 0.000 3.900 138 S HA 0.079 4.548 4.470 -0.000 0.000 0.248 138 S C 0.323 174.871 174.600 -0.085 0.000 1.310 138 S CA -0.414 57.804 58.200 0.030 0.000 0.915 138 S CB -0.643 62.694 63.200 0.228 0.000 1.588 138 S HN 0.547 nan 8.310 nan 0.000 0.472 139 N N 0.937 119.506 118.700 -0.217 0.000 2.270 139 N HA -0.013 4.727 4.740 -0.000 0.000 0.181 139 N C -0.484 174.727 175.510 -0.498 0.000 1.016 139 N CA 0.942 53.767 53.050 -0.375 0.000 0.870 139 N CB 0.139 38.295 38.487 -0.551 0.000 0.979 139 N HN 0.436 nan 8.380 nan 0.000 0.431 140 Y N -0.491 119.558 120.300 -0.419 0.000 2.549 140 Y HA 0.546 5.096 4.550 -0.000 0.000 0.339 140 Y C -0.284 175.070 175.900 -0.911 0.000 1.053 140 Y CA -1.127 56.527 58.100 -0.743 0.000 1.105 140 Y CB 1.317 39.128 38.460 -1.083 0.000 1.258 140 Y HN -0.382 nan 8.280 nan 0.000 0.478 141 V N 3.515 122.962 119.914 -0.777 0.000 2.443 141 V HA 0.358 4.478 4.120 -0.000 0.000 0.293 141 V C -1.053 174.591 176.094 -0.751 0.000 1.021 141 V CA -0.938 60.922 62.300 -0.732 0.000 0.848 141 V CB 0.555 31.959 31.823 -0.697 0.000 0.998 141 V HN 0.462 nan 8.190 nan 0.000 0.424 142 F N 4.253 124.000 119.950 -0.340 0.000 2.385 142 F HA 0.704 5.230 4.527 -0.000 0.000 0.336 142 F C 0.604 176.196 175.800 -0.346 0.000 1.100 142 F CA -0.710 57.012 58.000 -0.465 0.000 1.116 142 F CB 1.238 40.124 39.000 -0.190 0.000 1.166 142 F HN 0.644 nan 8.300 nan 0.000 0.511 143 C N 0.773 119.882 119.300 -0.319 0.000 2.985 143 C HA 0.614 5.074 4.460 -0.000 0.000 0.314 143 C C -1.025 173.903 174.990 -0.104 0.000 1.215 143 C CA -1.310 57.629 59.018 -0.133 0.000 1.414 143 C CB 0.869 28.523 27.740 -0.144 0.000 1.842 143 C HN 0.893 nan 8.230 nan 0.000 0.477 144 N N 0.022 118.779 118.700 0.096 0.000 2.473 144 N HA 0.590 5.329 4.740 -0.000 0.000 0.291 144 N C -0.048 175.524 175.510 0.103 0.000 1.083 144 N CA -0.243 52.916 53.050 0.182 0.000 0.951 144 N CB 1.522 40.163 38.487 0.257 0.000 1.164 144 N HN 1.070 nan 8.380 nan 0.000 0.480 145 G N 0.489 109.346 108.800 0.095 0.000 2.356 145 G HA2 0.047 4.007 3.960 -0.000 0.000 0.312 145 G HA3 0.047 4.007 3.960 -0.000 0.000 0.312 145 G C 0.421 175.360 174.900 0.065 0.000 1.096 145 G CA -0.313 44.815 45.100 0.048 0.000 0.950 145 G HN 0.683 nan 8.290 nan 0.000 0.428 146 E N 1.817 122.050 120.200 0.056 0.000 2.158 146 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 146 E C -0.181 176.419 176.600 0.001 0.000 0.982 146 E CA 0.348 56.768 56.400 0.034 0.000 0.823 146 E CB 0.245 29.973 29.700 0.046 0.000 0.766 146 E HN 0.436 nan 8.360 nan 0.000 0.468 147 D N 2.547 122.953 120.400 0.009 0.000 2.277 147 D HA 0.018 4.658 4.640 -0.000 0.000 0.249 147 D C -0.340 175.973 176.300 0.020 0.000 1.134 147 D CA -0.068 53.941 54.000 0.016 0.000 0.863 147 D CB 1.100 41.903 40.800 0.005 0.000 1.143 147 D HN 0.166 nan 8.370 nan 0.000 0.458 148 E N 0.933 121.169 120.200 0.060 0.000 2.316 148 E HA 0.339 4.689 4.350 -0.000 0.000 0.275 148 E C 0.065 176.688 176.600 0.039 0.000 1.029 148 E CA -0.579 55.883 56.400 0.103 0.000 0.871 148 E CB 0.791 30.607 29.700 0.193 0.000 1.022 148 E HN 0.407 nan 8.360 nan 0.000 0.418 149 T N -1.282 113.197 114.554 -0.125 0.000 2.853 149 T HA 0.464 4.814 4.350 -0.000 0.000 0.311 149 T C -2.988 171.442 174.700 -0.449 0.000 1.307 149 T CA -1.955 59.857 62.100 -0.481 0.000 1.019 149 T CB 1.805 70.503 68.868 -0.283 0.000 1.264 149 T HN 0.258 nan 8.240 nan 0.000 0.497 150 P HA 0.147 nan 4.420 nan 0.000 0.268 150 P C 1.158 178.380 177.300 -0.131 0.000 1.205 150 P CA -0.571 62.375 63.100 -0.257 0.000 0.771 150 P CB 0.996 32.565 31.700 -0.218 0.000 0.858 151 L N 3.949 125.143 121.223 -0.048 0.000 2.013 151 L HA -0.132 4.207 4.340 -0.000 0.000 0.212 151 L C 0.709 177.558 176.870 -0.034 0.000 1.073 151 L CA 1.830 56.655 54.840 -0.025 0.000 0.753 151 L CB -0.114 41.950 42.059 0.007 0.000 0.890 151 L HN 0.097 nan 8.230 nan 0.000 0.432 152 V N 1.366 121.262 119.914 -0.030 0.000 2.259 152 V HA 0.135 4.255 4.120 -0.000 0.000 0.267 152 V C -0.223 175.844 176.094 -0.046 0.000 1.051 152 V CA -0.404 61.880 62.300 -0.028 0.000 0.830 152 V CB 0.408 32.225 31.823 -0.009 0.000 1.080 152 V HN 0.310 nan 8.190 nan 0.000 0.467 153 N N 3.405 122.066 118.700 -0.065 0.000 3.050 153 N HA 0.081 4.820 4.740 -0.000 0.000 0.289 153 N C 0.630 176.108 175.510 -0.053 0.000 1.209 153 N CA -0.276 52.724 53.050 -0.084 0.000 1.154 153 N CB 0.293 38.713 38.487 -0.111 0.000 1.444 153 N HN 0.732 nan 8.380 nan 0.000 0.529 154 D N -0.077 120.303 120.400 -0.034 0.000 2.395 154 D HA 0.210 4.850 4.640 -0.000 0.000 0.213 154 D C 1.178 177.473 176.300 -0.008 0.000 1.110 154 D CA -0.046 53.944 54.000 -0.016 0.000 0.835 154 D CB -0.163 40.633 40.800 -0.006 0.000 0.965 154 D HN 0.253 nan 8.370 nan 0.000 0.505 155 G N 0.379 109.171 108.800 -0.013 0.000 2.148 155 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.254 155 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.254 155 G C 1.073 175.982 174.900 0.015 0.000 0.981 155 G CA 0.913 46.014 45.100 0.001 0.000 0.670 155 G HN 0.656 nan 8.290 nan 0.000 0.528 156 T N -2.292 112.271 114.554 0.015 0.000 3.023 156 T HA 0.225 4.575 4.350 -0.000 0.000 0.253 156 T C 1.119 175.839 174.700 0.032 0.000 1.038 156 T CA 1.021 63.134 62.100 0.022 0.000 0.962 156 T CB -0.017 68.861 68.868 0.017 0.000 1.018 156 T HN 0.717 nan 8.240 nan 0.000 0.521 157 N N 0.147 118.871 118.700 0.039 0.000 2.365 157 N HA 0.309 5.049 4.740 -0.000 0.000 0.257 157 N C 0.976 176.558 175.510 0.119 0.000 1.287 157 N CA -0.447 52.642 53.050 0.065 0.000 0.882 157 N CB -0.306 38.216 38.487 0.057 0.000 1.250 157 N HN 0.251 nan 8.380 nan 0.000 0.507 158 M N -0.254 119.411 119.600 0.110 0.000 2.374 158 M HA 0.015 4.494 4.480 -0.000 0.000 0.264 158 M C 0.853 177.286 176.300 0.221 0.000 1.067 158 M CA 1.178 56.589 55.300 0.184 0.000 1.103 158 M CB -0.035 32.633 32.600 0.114 0.000 1.402 158 M HN 0.120 nan 8.290 nan 0.000 0.444 159 E N 0.184 120.456 120.200 0.120 0.000 2.299 159 E HA -0.074 4.275 4.350 -0.000 0.000 0.193 159 E C 0.329 176.945 176.600 0.027 0.000 0.998 159 E CA 0.678 57.114 56.400 0.059 0.000 0.851 159 E CB -0.347 29.375 29.700 0.036 0.000 0.795 159 E HN 0.337 nan 8.360 nan 0.000 0.492 160 D N 1.271 121.717 120.400 0.076 0.000 2.671 160 D HA 0.006 4.645 4.640 -0.000 0.000 0.228 160 D C 1.012 177.307 176.300 -0.010 0.000 1.102 160 D CA -0.100 53.928 54.000 0.046 0.000 1.044 160 D CB -0.035 40.814 40.800 0.082 0.000 1.113 160 D HN -0.233 nan 8.370 nan 0.000 0.480 161 V N 1.952 121.718 119.914 -0.246 0.000 2.568 161 V HA -0.222 3.898 4.120 -0.000 0.000 0.253 161 V C 2.156 178.039 176.094 -0.353 0.000 1.072 161 V CA 1.672 63.565 62.300 -0.678 0.000 1.084 161 V CB -0.697 30.797 31.823 -0.549 0.000 0.676 161 V HN 0.606 nan 8.190 nan 0.000 0.469 162 A N -1.219 121.516 122.820 -0.142 0.000 2.081 162 A HA 0.110 4.430 4.320 -0.000 0.000 0.213 162 A C 0.323 177.913 177.584 0.010 0.000 1.374 162 A CA -0.007 51.993 52.037 -0.061 0.000 1.203 162 A CB -1.314 17.664 19.000 -0.038 0.000 0.786 162 A HN 0.645 nan 8.150 nan 0.000 0.535 163 Y N -3.862 116.443 120.300 0.009 0.000 2.508 163 Y HA -0.196 4.354 4.550 -0.000 0.000 0.021 163 Y C 0.368 176.278 175.900 0.017 0.000 1.704 163 Y CA 0.236 58.342 58.100 0.011 0.000 1.418 163 Y CB -0.552 37.913 38.460 0.007 0.000 2.063 163 Y HN 0.814 nan 8.280 nan 0.000 0.254 164 V N -1.037 118.965 119.914 0.148 0.000 3.182 164 V HA 0.767 4.887 4.120 -0.000 0.000 0.308 164 V C -1.019 175.125 176.094 0.083 0.000 1.240 164 V CA -1.141 61.222 62.300 0.106 0.000 1.063 164 V CB 2.424 34.296 31.823 0.083 0.000 1.076 164 V HN 0.713 nan 8.190 nan 0.000 0.446 165 N N -0.229 118.529 118.700 0.097 0.000 2.265 165 N HA 0.786 5.526 4.740 -0.000 0.000 0.300 165 N C -1.684 173.900 175.510 0.122 0.000 1.148 165 N CA -0.324 52.783 53.050 0.095 0.000 0.772 165 N CB 2.493 41.042 38.487 0.103 0.000 1.434 165 N HN 0.650 nan 8.380 nan 0.000 0.481 166 V N 2.083 122.062 119.914 0.108 0.000 2.588 166 V HA 0.416 4.535 4.120 -0.000 0.000 0.304 166 V C -0.795 175.388 176.094 0.149 0.000 1.042 166 V CA -0.828 61.543 62.300 0.119 0.000 0.877 166 V CB 1.700 33.548 31.823 0.041 0.000 0.996 166 V HN 0.535 nan 8.190 nan 0.000 0.425 167 F N 3.237 123.186 119.950 -0.001 0.000 2.404 167 F HA 0.749 5.276 4.527 -0.000 0.000 0.339 167 F C 0.257 175.952 175.800 -0.174 0.000 1.105 167 F CA 0.084 58.011 58.000 -0.122 0.000 1.087 167 F CB 1.678 40.480 39.000 -0.331 0.000 1.143 167 F HN 0.503 nan 8.300 nan 0.000 0.491 168 T N 4.950 118.948 114.554 -0.926 0.000 2.876 168 T HA 0.734 5.083 4.350 -0.000 0.000 0.289 168 T C -1.025 172.982 174.700 -1.153 0.000 1.014 168 T CA -0.606 60.995 62.100 -0.832 0.000 0.986 168 T CB 1.473 70.019 68.868 -0.536 0.000 1.021 168 T HN 0.773 nan 8.240 nan 0.000 0.458 169 A N 2.711 124.794 122.820 -1.229 0.000 2.267 169 A HA 0.706 5.026 4.320 -0.000 0.000 0.315 169 A C -0.347 176.591 177.584 -1.076 0.000 1.297 169 A CA -0.575 50.591 52.037 -1.452 0.000 0.865 169 A CB 0.447 17.743 19.000 -2.840 0.000 1.165 169 A HN 0.678 nan 8.150 nan 0.000 0.513 170 V N 2.950 122.360 119.914 -0.840 0.000 2.439 170 V HA 0.175 4.295 4.120 -0.000 0.000 0.282 170 V C 0.166 175.945 176.094 -0.525 0.000 1.039 170 V CA -0.666 61.205 62.300 -0.715 0.000 0.913 170 V CB 1.630 32.910 31.823 -0.904 0.000 0.983 170 V HN 0.914 nan 8.190 nan 0.000 0.460 171 D N 4.004 124.171 120.400 -0.389 0.000 2.349 171 D HA 0.143 4.783 4.640 -0.000 0.000 0.266 171 D C 1.050 177.245 176.300 -0.175 0.000 1.293 171 D CA 0.382 54.245 54.000 -0.229 0.000 0.926 171 D CB 1.660 42.363 40.800 -0.163 0.000 1.090 171 D HN 0.647 nan 8.370 nan 0.000 0.502 172 A N 4.441 127.170 122.820 -0.151 0.000 2.070 172 A HA -0.172 4.147 4.320 -0.000 0.000 0.220 172 A C 1.672 179.341 177.584 0.141 0.000 1.159 172 A CA 1.140 53.191 52.037 0.023 0.000 0.656 172 A CB 0.068 19.009 19.000 -0.097 0.000 0.800 172 A HN 0.585 nan 8.150 nan 0.000 0.453 173 D N -0.533 119.904 120.400 0.062 0.000 2.201 173 D HA -0.019 4.621 4.640 -0.000 0.000 0.209 173 D C 1.681 178.020 176.300 0.065 0.000 0.961 173 D CA 1.025 55.070 54.000 0.076 0.000 0.861 173 D CB -0.156 40.675 40.800 0.051 0.000 0.997 173 D HN 0.445 nan 8.370 nan 0.000 0.486 174 K N -0.505 119.926 120.400 0.050 0.000 2.361 174 K HA -0.005 4.315 4.320 -0.000 0.000 0.196 174 K C 0.224 176.903 176.600 0.133 0.000 1.039 174 K CA -0.260 56.059 56.287 0.053 0.000 1.001 174 K CB 0.871 33.372 32.500 0.002 0.000 0.795 174 K HN 0.187 nan 8.250 nan 0.000 0.495 175 W N 2.548 123.759 121.300 -0.148 0.000 5.820 175 W HA -0.263 4.397 4.660 -0.000 0.000 0.415 175 W C -1.169 175.275 176.519 -0.124 0.000 1.627 175 W CA 0.617 57.870 57.345 -0.154 0.000 0.991 175 W CB -0.685 28.690 29.460 -0.142 0.000 2.842 175 W HN 0.132 nan 8.180 nan 0.000 1.416 176 E N -0.278 119.764 120.200 -0.264 0.000 2.408 176 E HA 0.345 4.695 4.350 -0.000 0.000 0.275 176 E C -0.405 175.989 176.600 -0.345 0.000 0.935 176 E CA -0.893 55.353 56.400 -0.256 0.000 0.775 176 E CB 1.989 31.609 29.700 -0.133 0.000 1.277 176 E HN -0.134 nan 8.360 nan 0.000 0.455 177 V N 1.680 121.403 119.914 -0.318 0.000 2.655 177 V HA 0.096 4.216 4.120 -0.000 0.000 0.300 177 V C 1.111 177.021 176.094 -0.308 0.000 1.044 177 V CA 0.858 62.943 62.300 -0.358 0.000 1.095 177 V CB 0.923 32.568 31.823 -0.297 0.000 0.952 177 V HN 0.900 nan 8.190 nan 0.000 0.485 178 A N 5.754 128.325 122.820 -0.416 0.000 1.901 178 A HA 0.301 4.621 4.320 -0.000 0.000 0.210 178 A C 0.610 178.062 177.584 -0.221 0.000 1.208 178 A CA 0.721 52.563 52.037 -0.325 0.000 0.644 178 A CB 0.324 19.075 19.000 -0.416 0.000 0.863 178 A HN 0.965 nan 8.150 nan 0.000 0.454 179 W N -2.980 118.159 121.300 -0.267 0.000 2.982 179 W HA 0.640 5.300 4.660 -0.000 0.000 0.344 179 W C -1.707 174.629 176.519 -0.305 0.000 1.215 179 W CA -0.763 56.407 57.345 -0.293 0.000 1.182 179 W CB 0.308 29.597 29.460 -0.285 0.000 1.437 179 W HN 0.104 nan 8.180 nan 0.000 0.570 180 Q N 0.732 120.652 119.800 0.201 0.000 2.456 180 Q HA 0.645 4.985 4.340 -0.000 0.000 0.283 180 Q C -1.455 174.642 176.000 0.162 0.000 1.084 180 Q CA -1.093 54.775 55.803 0.110 0.000 0.801 180 Q CB 3.524 32.244 28.738 -0.029 0.000 1.434 180 Q HN 0.280 nan 8.270 nan 0.000 0.419 181 V N 2.077 122.105 119.914 0.191 0.000 2.525 181 V HA 0.306 4.426 4.120 -0.000 0.000 0.299 181 V C -0.955 175.279 176.094 0.233 0.000 1.034 181 V CA -0.807 61.610 62.300 0.196 0.000 0.863 181 V CB 1.538 33.552 31.823 0.318 0.000 0.999 181 V HN 0.573 nan 8.190 nan 0.000 0.423 182 L N 5.966 127.299 121.223 0.183 0.000 2.380 182 L HA 0.563 4.903 4.340 -0.000 0.000 0.273 182 L C 0.152 177.165 176.870 0.240 0.000 1.138 182 L CA 0.535 55.484 54.840 0.181 0.000 0.832 182 L CB 1.406 43.547 42.059 0.138 0.000 1.124 182 L HN 0.658 nan 8.230 nan 0.000 0.454 183 V N -0.222 119.838 119.914 0.244 0.000 3.102 183 V HA 0.725 4.845 4.120 -0.000 0.000 0.312 183 V C -0.084 176.147 176.094 0.229 0.000 1.135 183 V CA -0.817 61.658 62.300 0.292 0.000 1.022 183 V CB 1.962 33.989 31.823 0.341 0.000 1.056 183 V HN 0.641 nan 8.190 nan 0.000 0.436 184 S N 1.530 117.370 115.700 0.233 0.000 2.475 184 S HA 0.790 5.259 4.470 -0.000 0.000 0.281 184 S C 0.438 175.144 174.600 0.177 0.000 1.198 184 S CA 0.450 58.687 58.200 0.062 0.000 1.063 184 S CB 0.491 63.544 63.200 -0.246 0.000 0.972 184 S HN 2.225 nan 8.310 nan 0.000 0.486 185 G N 3.419 112.290 108.800 0.118 0.000 2.795 185 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.664 185 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.664 185 G C -0.421 174.521 174.900 0.071 0.000 1.381 185 G CA -0.324 44.834 45.100 0.098 0.000 0.853 185 G HN 0.947 nan 8.290 nan 0.000 0.545 186 N N -1.476 117.190 118.700 -0.056 0.000 2.495 186 N HA 0.745 5.485 4.740 -0.000 0.000 0.294 186 N C -0.056 175.416 175.510 -0.063 0.000 1.276 186 N CA -1.062 51.937 53.050 -0.086 0.000 0.973 186 N CB 1.051 39.396 38.487 -0.237 0.000 1.143 186 N HN 0.675 nan 8.380 nan 0.000 0.589 187 L N -0.556 120.649 121.223 -0.031 0.000 2.386 187 L HA 0.337 4.677 4.340 -0.000 0.000 0.271 187 L C -0.048 176.879 176.870 0.096 0.000 0.993 187 L CA -0.706 54.179 54.840 0.075 0.000 0.819 187 L CB 1.810 43.988 42.059 0.197 0.000 1.294 187 L HN 0.735 nan 8.230 nan 0.000 0.414 188 D N 1.028 121.536 120.400 0.179 0.000 2.949 188 D HA 0.165 4.805 4.640 -0.000 0.000 0.247 188 D C -0.095 176.450 176.300 0.408 0.000 1.552 188 D CA 0.422 54.642 54.000 0.367 0.000 1.231 188 D CB 0.591 41.642 40.800 0.418 0.000 0.990 188 D HN 0.585 nan 8.370 nan 0.000 0.270 189 N N -1.303 117.551 118.700 0.256 0.000 2.404 189 N HA 0.540 5.280 4.740 -0.000 0.000 0.297 189 N C -0.809 174.817 175.510 0.193 0.000 1.163 189 N CA -0.665 52.488 53.050 0.170 0.000 0.864 189 N CB 2.411 40.940 38.487 0.070 0.000 1.247 189 N HN 0.421 nan 8.380 nan 0.000 0.510 190 C N -1.194 118.219 119.300 0.189 0.000 3.171 190 C HA 0.790 5.250 4.460 -0.000 0.000 0.308 190 C C -1.264 173.859 174.990 0.222 0.000 1.334 190 C CA -0.735 58.431 59.018 0.247 0.000 1.473 190 C CB 1.805 29.731 27.740 0.311 0.000 1.866 190 C HN 0.691 nan 8.230 nan 0.000 0.465 191 D N -0.677 119.889 120.400 0.276 0.000 2.759 191 D HA 0.801 5.441 4.640 -0.000 0.000 0.321 191 D C -0.969 175.309 176.300 -0.037 0.000 1.267 191 D CA 0.130 54.270 54.000 0.234 0.000 0.933 191 D CB 2.217 43.271 40.800 0.422 0.000 1.431 191 D HN 1.261 nan 8.370 nan 0.000 0.504 192 A N 0.217 123.008 122.820 -0.048 0.000 2.485 192 A HA 0.636 4.956 4.320 -0.000 0.000 0.292 192 A C -0.479 177.089 177.584 -0.027 0.000 1.147 192 A CA -0.501 51.353 52.037 -0.305 0.000 0.750 192 A CB 1.316 20.301 19.000 -0.025 0.000 1.331 192 A HN 0.574 nan 8.150 nan 0.000 0.419 193 D N -1.084 119.345 120.400 0.049 0.000 2.469 193 D HA 0.169 4.808 4.640 -0.000 0.000 0.278 193 D C -0.327 176.008 176.300 0.058 0.000 1.231 193 D CA 0.146 54.327 54.000 0.300 0.000 1.075 193 D CB 0.236 41.330 40.800 0.490 0.000 1.121 193 D HN 0.447 nan 8.370 nan 0.000 0.571 194 Y N -1.379 118.992 120.300 0.119 0.000 2.507 194 Y HA 0.222 4.771 4.550 -0.000 0.000 0.254 194 Y C 1.227 177.070 175.900 -0.094 0.000 1.171 194 Y CA -0.138 57.999 58.100 0.062 0.000 1.238 194 Y CB 0.740 39.196 38.460 -0.008 0.000 1.148 194 Y HN 0.358 nan 8.280 nan 0.000 0.525 195 E N -1.400 118.818 120.200 0.029 0.000 2.572 195 E HA 0.222 4.571 4.350 -0.000 0.000 0.220 195 E C 1.441 178.083 176.600 0.069 0.000 0.945 195 E CA 0.455 56.751 56.400 -0.175 0.000 1.070 195 E CB 0.973 30.569 29.700 -0.173 0.000 1.090 195 E HN 0.363 nan 8.360 nan 0.000 0.506 196 G N 2.966 111.849 108.800 0.138 0.000 2.159 196 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.256 196 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.256 196 G C 0.986 175.890 174.900 0.007 0.000 0.977 196 G CA 0.912 46.104 45.100 0.153 0.000 0.652 196 G HN 0.335 nan 8.290 nan 0.000 0.531 197 K N -1.163 119.109 120.400 -0.214 0.000 2.379 197 K HA 0.273 4.593 4.320 -0.000 0.000 0.194 197 K C 0.533 176.662 176.600 -0.787 0.000 1.031 197 K CA 0.169 56.082 56.287 -0.624 0.000 1.037 197 K CB 0.408 32.316 32.500 -0.986 0.000 0.824 197 K HN 0.539 nan 8.250 nan 0.000 0.516 198 W N 0.181 121.497 121.300 0.026 0.000 3.029 198 W HA 0.619 5.279 4.660 -0.000 0.000 0.339 198 W C -1.074 175.189 176.519 -0.427 0.000 1.198 198 W CA -1.191 56.102 57.345 -0.087 0.000 1.148 198 W CB 1.649 31.191 29.460 0.138 0.000 1.451 198 W HN -0.046 nan 8.180 nan 0.000 0.564 199 A N 1.408 124.028 122.820 -0.334 0.000 2.549 199 A HA 0.947 5.267 4.320 -0.000 0.000 0.297 199 A C -1.856 175.394 177.584 -0.557 0.000 1.061 199 A CA -0.727 50.820 52.037 -0.817 0.000 0.690 199 A CB 0.996 19.385 19.000 -1.020 0.000 1.287 199 A HN 0.730 nan 8.150 nan 0.000 0.402 200 F N -0.670 119.307 119.950 0.045 0.000 2.654 200 F HA 0.877 5.404 4.527 -0.000 0.000 0.308 200 F C -0.096 175.725 175.800 0.035 0.000 1.108 200 F CA -1.046 56.948 58.000 -0.011 0.000 0.957 200 F CB 1.651 40.639 39.000 -0.020 0.000 1.309 200 F HN 0.639 nan 8.300 nan 0.000 0.446 201 S N 0.128 115.951 115.700 0.206 0.000 2.541 201 S HA 0.733 5.202 4.470 -0.000 0.000 0.271 201 S C -0.794 173.884 174.600 0.131 0.000 1.133 201 S CA -0.367 57.953 58.200 0.200 0.000 0.876 201 S CB 1.498 64.840 63.200 0.236 0.000 1.105 201 S HN 1.057 nan 8.310 nan 0.000 0.470 202 T N 1.024 115.660 114.554 0.136 0.000 2.849 202 T HA 0.676 5.026 4.350 -0.000 0.000 0.284 202 T C 0.044 174.771 174.700 0.046 0.000 1.004 202 T CA -0.655 61.499 62.100 0.089 0.000 1.021 202 T CB 1.324 70.260 68.868 0.112 0.000 1.013 202 T HN 0.605 nan 8.240 nan 0.000 0.527 203 S N 0.465 116.122 115.700 -0.071 0.000 2.619 203 S HA 0.435 4.904 4.470 -0.000 0.000 0.280 203 S C -0.344 174.164 174.600 -0.154 0.000 1.150 203 S CA -0.884 57.188 58.200 -0.213 0.000 0.978 203 S CB 0.630 63.522 63.200 -0.513 0.000 1.041 203 S HN 0.846 nan 8.310 nan 0.000 0.485 204 Y N 3.472 123.738 120.300 -0.056 0.000 2.458 204 Y HA 0.537 5.087 4.550 -0.000 0.000 0.254 204 Y C 0.625 176.493 175.900 -0.053 0.000 1.120 204 Y CA -0.207 57.865 58.100 -0.046 0.000 1.282 204 Y CB -0.071 38.387 38.460 -0.003 0.000 1.109 204 Y HN 0.539 nan 8.280 nan 0.000 0.526 205 N N 1.117 119.685 118.700 -0.221 0.000 2.914 205 N HA 0.086 4.826 4.740 -0.000 0.000 0.304 205 N C 0.474 175.922 175.510 -0.104 0.000 1.727 205 N CA 0.282 53.271 53.050 -0.101 0.000 0.986 205 N CB 0.202 38.600 38.487 -0.147 0.000 1.297 205 N HN 0.299 nan 8.380 nan 0.000 0.490 206 S N -0.242 115.401 115.700 -0.095 0.000 2.555 206 S HA -0.018 4.452 4.470 -0.000 0.000 0.230 206 S C 0.957 175.556 174.600 -0.003 0.000 0.978 206 S CA 0.480 58.657 58.200 -0.038 0.000 0.934 206 S CB -0.050 63.135 63.200 -0.025 0.000 0.766 206 S HN 0.344 nan 8.310 nan 0.000 0.533 207 E N 1.544 121.737 120.200 -0.012 0.000 2.435 207 E HA 0.179 4.529 4.350 -0.000 0.000 0.195 207 E C 0.344 176.934 176.600 -0.016 0.000 1.029 207 E CA 0.056 56.450 56.400 -0.010 0.000 0.865 207 E CB -0.358 29.340 29.700 -0.003 0.000 0.833 207 E HN 0.567 nan 8.360 nan 0.000 0.510 208 K N -0.703 119.688 120.400 -0.014 0.000 3.088 208 K HA -0.170 4.150 4.320 -0.000 0.000 0.273 208 K C 0.560 177.143 176.600 -0.030 0.000 1.111 208 K CA 0.360 56.638 56.287 -0.014 0.000 0.803 208 K CB -2.149 30.341 32.500 -0.017 0.000 1.226 208 K HN 0.312 nan 8.250 nan 0.000 0.485 209 G N 0.151 108.942 108.800 -0.015 0.000 2.634 209 G HA2 0.289 4.248 3.960 -0.000 0.000 0.255 209 G HA3 0.289 4.248 3.960 -0.000 0.000 0.255 209 G C 0.799 175.692 174.900 -0.011 0.000 1.205 209 G CA -0.523 44.566 45.100 -0.018 0.000 0.884 209 G HN 0.092 nan 8.290 nan 0.000 0.549 210 M N 0.212 119.800 119.600 -0.020 0.000 2.313 210 M HA 0.178 4.658 4.480 -0.000 0.000 0.273 210 M C 0.763 177.074 176.300 0.018 0.000 1.049 210 M CA 0.245 55.541 55.300 -0.005 0.000 1.004 210 M CB -0.218 32.356 32.600 -0.043 0.000 1.461 210 M HN 0.684 nan 8.290 nan 0.000 0.514 211 T N -3.005 111.560 114.554 0.018 0.000 2.864 211 T HA 0.455 4.805 4.350 -0.000 0.000 0.299 211 T C 0.567 175.283 174.700 0.027 0.000 1.166 211 T CA -0.833 61.280 62.100 0.022 0.000 1.007 211 T CB 1.912 70.787 68.868 0.010 0.000 1.219 211 T HN -0.021 nan 8.240 nan 0.000 0.506 212 L N 1.598 122.833 121.223 0.020 0.000 1.990 212 L HA 0.094 4.434 4.340 -0.000 0.000 0.213 212 L C -0.670 176.206 176.870 0.010 0.000 1.072 212 L CA 2.233 57.079 54.840 0.011 0.000 0.755 212 L CB -1.614 40.443 42.059 -0.004 0.000 0.889 212 L HN 0.643 nan 8.230 nan 0.000 0.432 213 P HA -0.193 nan 4.420 nan 0.000 0.217 213 P C 1.182 178.486 177.300 0.006 0.000 1.150 213 P CA 1.728 64.830 63.100 0.003 0.000 0.832 213 P CB -0.079 31.621 31.700 0.001 0.000 0.787 214 E N -0.405 119.800 120.200 0.008 0.000 2.152 214 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 214 E C 2.071 178.682 176.600 0.019 0.000 0.983 214 E CA 0.883 57.287 56.400 0.006 0.000 0.818 214 E CB -0.410 29.289 29.700 -0.002 0.000 0.758 214 E HN 0.305 nan 8.360 nan 0.000 0.467 215 M N 0.273 119.896 119.600 0.039 0.000 2.619 215 M HA -0.025 4.455 4.480 -0.000 0.000 0.251 215 M C 1.297 177.637 176.300 0.066 0.000 1.106 215 M CA 0.970 56.316 55.300 0.076 0.000 1.086 215 M CB 0.129 32.811 32.600 0.136 0.000 1.465 215 M HN 0.067 nan 8.290 nan 0.000 0.506 216 T N -4.305 110.267 114.554 0.031 0.000 3.170 216 T HA 0.446 4.796 4.350 -0.000 0.000 0.288 216 T C 1.307 176.012 174.700 0.009 0.000 0.992 216 T CA 0.157 62.267 62.100 0.017 0.000 0.909 216 T CB 0.263 69.131 68.868 0.000 0.000 1.133 216 T HN 0.199 nan 8.240 nan 0.000 0.530 217 A N 1.191 124.016 122.820 0.008 0.000 2.119 217 A HA 0.707 5.027 4.320 -0.000 0.000 0.216 217 A C 1.479 179.063 177.584 0.001 0.000 1.152 217 A CA 0.468 52.507 52.037 0.002 0.000 0.708 217 A CB -0.601 18.398 19.000 -0.001 0.000 0.805 217 A HN 0.804 nan 8.150 nan 0.000 0.460 218 A N -0.322 122.501 122.820 0.004 0.000 2.327 218 A HA 0.478 4.797 4.320 -0.000 0.000 0.283 218 A C 0.732 178.318 177.584 0.003 0.000 1.127 218 A CA 0.119 52.157 52.037 0.002 0.000 0.810 218 A CB 0.456 19.459 19.000 0.004 0.000 1.066 218 A HN 0.442 nan 8.150 nan 0.000 0.492 219 E N 1.281 121.482 120.200 0.002 0.000 2.285 219 E HA 0.012 4.361 4.350 -0.000 0.000 0.194 219 E C -0.237 176.366 176.600 0.005 0.000 0.997 219 E CA 0.759 57.160 56.400 0.002 0.000 0.845 219 E CB 0.073 29.773 29.700 0.000 0.000 0.782 219 E HN 0.637 nan 8.360 nan 0.000 0.491 220 M N 1.014 120.619 119.600 0.009 0.000 2.267 220 M HA 0.296 4.776 4.480 -0.000 0.000 0.289 220 M C -0.937 175.376 176.300 0.022 0.000 1.043 220 M CA -0.615 54.695 55.300 0.016 0.000 0.928 220 M CB 1.861 34.472 32.600 0.019 0.000 1.613 220 M HN -0.127 nan 8.290 nan 0.000 0.450 221 D N 1.369 121.777 120.400 0.013 0.000 2.540 221 D HA 0.586 5.225 4.640 -0.000 0.000 0.229 221 D C -0.166 176.155 176.300 0.035 0.000 1.258 221 D CA 0.331 54.312 54.000 -0.032 0.000 1.158 221 D CB 0.809 41.555 40.800 -0.090 0.000 1.178 221 D HN 0.758 nan 8.370 nan 0.000 0.541 222 H N -1.815 117.276 119.070 0.035 0.000 2.894 222 H HA 0.405 4.961 4.556 -0.000 0.000 0.282 222 H C -1.268 174.065 175.328 0.009 0.000 1.448 222 H CA -0.786 55.278 56.048 0.026 0.000 1.158 222 H CB 0.427 30.232 29.762 0.071 0.000 1.818 222 H HN 0.307 nan 8.280 nan 0.000 0.493 223 I N 0.070 120.766 120.570 0.210 0.000 2.509 223 I HA 0.637 4.806 4.170 -0.000 0.000 0.293 223 I C -0.757 175.341 176.117 -0.032 0.000 1.020 223 I CA -1.226 60.125 61.300 0.085 0.000 1.088 223 I CB 2.168 40.159 38.000 -0.015 0.000 1.267 223 I HN 0.351 nan 8.210 nan 0.000 0.430 224 V N 6.981 126.782 119.914 -0.187 0.000 2.398 224 V HA 0.526 4.646 4.120 -0.000 0.000 0.286 224 V C -0.414 175.194 176.094 -0.810 0.000 1.026 224 V CA -0.327 61.535 62.300 -0.730 0.000 0.868 224 V CB 1.714 32.986 31.823 -0.918 0.000 0.982 224 V HN 0.643 nan 8.190 nan 0.000 0.443 225 V N 8.092 127.523 119.914 -0.806 0.000 2.394 225 V HA 0.471 4.590 4.120 -0.000 0.000 0.282 225 V C -0.375 175.422 176.094 -0.496 0.000 1.031 225 V CA -0.315 61.656 62.300 -0.548 0.000 0.881 225 V CB 1.200 32.628 31.823 -0.658 0.000 0.982 225 V HN 0.764 nan 8.190 nan 0.000 0.451 226 F N 3.367 123.248 119.950 -0.114 0.000 2.410 226 F HA 0.375 4.902 4.527 -0.000 0.000 0.349 226 F C 0.832 176.699 175.800 0.112 0.000 1.117 226 F CA -0.556 57.404 58.000 -0.066 0.000 1.104 226 F CB 0.811 39.641 39.000 -0.283 0.000 1.122 226 F HN 0.394 nan 8.300 nan 0.000 0.483 227 N N 4.865 123.707 118.700 0.237 0.000 2.555 227 N HA 0.154 4.894 4.740 -0.000 0.000 0.244 227 N C 1.199 176.707 175.510 -0.003 0.000 1.114 227 N CA 0.166 53.231 53.050 0.025 0.000 0.963 227 N CB 0.237 38.581 38.487 -0.238 0.000 1.276 227 N HN 0.682 nan 8.380 nan 0.000 0.510 228 I N 1.918 122.469 120.570 -0.031 0.000 2.151 228 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 228 I C 2.219 178.315 176.117 -0.035 0.000 1.080 228 I CA 1.361 62.665 61.300 0.007 0.000 1.339 228 I CB -0.238 37.838 38.000 0.126 0.000 1.039 228 I HN 0.485 nan 8.210 nan 0.000 0.409 229 A N 0.439 123.207 122.820 -0.086 0.000 1.883 229 A HA -0.210 4.109 4.320 -0.000 0.000 0.217 229 A C 2.263 179.848 177.584 0.001 0.000 1.186 229 A CA 1.653 53.663 52.037 -0.045 0.000 0.624 229 A CB -0.467 18.480 19.000 -0.088 0.000 0.822 229 A HN 0.364 nan 8.150 nan 0.000 0.444 230 E N 0.006 120.226 120.200 0.034 0.000 2.077 230 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 230 E C 2.010 178.739 176.600 0.215 0.000 0.989 230 E CA 1.153 57.639 56.400 0.143 0.000 0.800 230 E CB -0.472 29.332 29.700 0.173 0.000 0.746 230 E HN 0.745 nan 8.360 nan 0.000 0.452 231 I N 1.126 121.726 120.570 0.050 0.000 2.179 231 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 231 I C 2.283 178.149 176.117 -0.418 0.000 1.088 231 I CA 1.230 62.301 61.300 -0.382 0.000 1.357 231 I CB -0.307 37.174 38.000 -0.866 0.000 1.051 231 I HN 0.074 nan 8.210 nan 0.000 0.409 232 E N 0.676 120.711 120.200 -0.275 0.000 2.153 232 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 232 E C 2.118 178.705 176.600 -0.022 0.000 0.988 232 E CA 1.030 57.359 56.400 -0.118 0.000 0.811 232 E CB -0.042 29.688 29.700 0.050 0.000 0.746 232 E HN 0.370 nan 8.360 nan 0.000 0.466 233 K N 0.716 121.126 120.400 0.016 0.000 2.057 233 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 233 K C 2.085 178.734 176.600 0.082 0.000 1.050 233 K CA 1.067 57.389 56.287 0.058 0.000 0.935 233 K CB -0.036 32.508 32.500 0.074 0.000 0.715 233 K HN 0.061 nan 8.250 nan 0.000 0.439 234 A N 1.419 124.309 122.820 0.117 0.000 1.898 234 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 234 A C 2.009 179.678 177.584 0.142 0.000 1.181 234 A CA 1.176 53.308 52.037 0.158 0.000 0.620 234 A CB -0.475 18.690 19.000 0.276 0.000 0.819 234 A HN 0.269 nan 8.150 nan 0.000 0.442 235 I N 0.174 120.786 120.570 0.070 0.000 2.163 235 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 235 I C 2.920 179.168 176.117 0.217 0.000 1.085 235 I CA 1.589 62.987 61.300 0.165 0.000 1.347 235 I CB -1.612 36.364 38.000 -0.040 0.000 1.044 235 I HN 0.367 nan 8.210 nan 0.000 0.408 236 A N 0.630 123.521 122.820 0.120 0.000 1.972 236 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 236 A C 2.410 180.051 177.584 0.094 0.000 1.169 236 A CA 1.686 53.786 52.037 0.105 0.000 0.635 236 A CB -0.582 18.462 19.000 0.074 0.000 0.810 236 A HN 0.427 nan 8.150 nan 0.000 0.446 237 A N -2.034 120.837 122.820 0.084 0.000 2.169 237 A HA 0.401 4.720 4.320 -0.000 0.000 0.212 237 A C 1.866 179.450 177.584 0.000 0.000 1.153 237 A CA 1.260 53.324 52.037 0.044 0.000 0.756 237 A CB -0.771 18.254 19.000 0.042 0.000 0.813 237 A HN 1.850 nan 8.150 nan 0.000 0.471 238 G N -0.457 108.350 108.800 0.013 0.000 2.157 238 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.248 238 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.248 238 G C -0.405 174.126 174.900 -0.615 0.000 0.979 238 G CA 0.177 45.122 45.100 -0.258 0.000 0.650 238 G HN 0.469 nan 8.290 nan 0.000 0.529 239 D N 0.782 121.034 120.400 -0.247 0.000 2.453 239 D HA 0.543 5.182 4.640 -0.000 0.000 0.223 239 D C 0.423 176.696 176.300 -0.044 0.000 1.183 239 D CA 0.713 54.618 54.000 -0.160 0.000 0.933 239 D CB -0.112 40.700 40.800 0.020 0.000 1.038 239 D HN 0.686 nan 8.370 nan 0.000 0.513 240 Y N -1.351 118.964 120.300 0.025 0.000 2.925 240 Y HA 0.256 4.806 4.550 -0.000 0.000 0.349 240 Y C -1.500 174.409 175.900 0.016 0.000 1.342 240 Y CA -1.495 56.610 58.100 0.008 0.000 1.093 240 Y CB 0.587 39.030 38.460 -0.028 0.000 1.571 240 Y HN 0.068 nan 8.280 nan 0.000 0.438 241 Q N 0.594 120.597 119.800 0.338 0.000 2.353 241 Q HA 0.483 4.823 4.340 -0.000 0.000 0.268 241 Q C -1.303 174.851 176.000 0.256 0.000 1.045 241 Q CA -0.977 54.960 55.803 0.223 0.000 0.811 241 Q CB 3.198 32.006 28.738 0.118 0.000 1.305 241 Q HN 0.700 nan 8.270 nan 0.000 0.447 242 E N 3.894 124.222 120.200 0.213 0.000 2.152 242 E HA 0.312 4.662 4.350 -0.000 0.000 0.285 242 E C -1.313 175.327 176.600 0.068 0.000 1.043 242 E CA -0.400 56.082 56.400 0.136 0.000 0.839 242 E CB 0.644 30.427 29.700 0.138 0.000 1.069 242 E HN 0.592 nan 8.360 nan 0.000 0.399 243 L N 5.037 126.280 121.223 0.033 0.000 2.372 243 L HA 0.337 4.676 4.340 -0.000 0.000 0.274 243 L C -0.057 176.810 176.870 -0.006 0.000 0.988 243 L CA -0.930 53.919 54.840 0.015 0.000 0.833 243 L CB 1.496 43.563 42.059 0.014 0.000 1.236 243 L HN 0.667 nan 8.230 nan 0.000 0.410 244 N N 3.100 121.798 118.700 -0.005 0.000 2.727 244 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 244 N C 0.991 176.488 175.510 -0.022 0.000 1.048 244 N CA 1.210 54.251 53.050 -0.014 0.000 0.714 244 N CB -0.571 37.902 38.487 -0.024 0.000 0.959 244 N HN 1.167 nan 8.380 nan 0.000 0.544 245 G N -2.970 105.822 108.800 -0.013 0.000 2.184 245 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.264 245 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.264 245 G C 0.179 175.053 174.900 -0.043 0.000 0.975 245 G CA 0.609 45.697 45.100 -0.020 0.000 0.642 245 G HN 0.468 nan 8.290 nan 0.000 0.536 250 V N 2.750 122.614 119.914 -0.083 0.000 2.487 250 V HA 0.498 4.618 4.120 -0.000 0.000 0.298 250 V C 0.006 176.121 176.094 0.035 0.000 1.028 250 V CA -0.930 61.365 62.300 -0.007 0.000 0.860 250 V CB 1.675 33.513 31.823 0.024 0.000 0.991 250 V HN 0.556 nan 8.190 nan 0.000 0.427 251 V N 0.417 120.293 119.914 -0.063 0.000 2.850 251 V HA 0.687 4.807 4.120 -0.000 0.000 0.315 251 V C -0.431 175.670 176.094 0.011 0.000 1.064 251 V CA -0.644 61.586 62.300 -0.117 0.000 0.979 251 V CB 2.006 33.415 31.823 -0.690 0.000 1.039 251 V HN 0.757 nan 8.190 nan 0.000 0.452 252 D N 2.444 122.946 120.400 0.170 0.000 2.359 252 D HA 0.496 5.136 4.640 -0.000 0.000 0.230 252 D C 0.757 177.261 176.300 0.341 0.000 1.118 252 D CA 0.272 54.403 54.000 0.218 0.000 0.844 252 D CB 1.318 42.227 40.800 0.182 0.000 1.059 252 D HN 0.913 nan 8.370 nan 0.000 0.493 253 G N 3.487 112.467 108.800 0.301 0.000 3.393 253 G HA2 0.034 3.993 3.960 -0.000 0.000 0.255 253 G HA3 0.034 3.993 3.960 -0.000 0.000 0.255 253 G C 0.735 175.798 174.900 0.271 0.000 1.097 253 G CA -0.338 44.964 45.100 0.337 0.000 0.780 253 G HN 0.311 nan 8.290 nan 0.000 0.540 254 R N 0.345 120.968 120.500 0.205 0.000 2.694 254 R HA 0.196 4.536 4.340 -0.000 0.000 0.268 254 R C 1.162 177.496 176.300 0.057 0.000 1.061 254 R CA -0.074 56.105 56.100 0.133 0.000 1.133 254 R CB 0.811 31.158 30.300 0.079 0.000 1.020 254 R HN 0.091 nan 8.270 nan 0.000 0.475 255 K N 1.759 122.097 120.400 -0.104 0.000 2.059 255 K HA -0.192 4.128 4.320 -0.000 0.000 0.212 255 K C 1.064 177.608 176.600 -0.093 0.000 1.050 255 K CA 1.747 57.928 56.287 -0.177 0.000 0.927 255 K CB -0.022 32.258 32.500 -0.365 0.000 0.714 255 K HN 0.624 nan 8.250 nan 0.000 0.447 256 E N 1.725 121.882 120.200 -0.071 0.000 2.506 256 E HA -0.050 4.300 4.350 -0.000 0.000 0.210 256 E C -0.260 176.327 176.600 -0.022 0.000 1.325 256 E CA 0.477 56.850 56.400 -0.046 0.000 1.273 256 E CB -0.692 28.987 29.700 -0.034 0.000 1.276 256 E HN 0.276 nan 8.360 nan 0.000 0.442 257 S N -1.254 114.372 115.700 -0.124 0.000 2.636 257 S HA 0.113 4.583 4.470 -0.000 0.000 0.268 257 S C -0.334 174.092 174.600 -0.290 0.000 1.021 257 S CA -0.731 57.299 58.200 -0.283 0.000 0.952 257 S CB -0.412 62.562 63.200 -0.376 0.000 1.216 257 S HN 0.031 nan 8.310 nan 0.000 0.472 258 L N 0.567 121.511 121.223 -0.465 0.000 2.728 258 L HA 0.521 4.861 4.340 -0.000 0.000 0.238 258 L C 0.983 177.872 176.870 0.031 0.000 1.143 258 L CA 0.402 55.137 54.840 -0.175 0.000 0.937 258 L CB -0.733 41.227 42.059 -0.166 0.000 1.225 258 L HN 0.670 nan 8.230 nan 0.000 0.507 259 F N -0.747 119.287 119.950 0.141 0.000 2.416 259 F HA 0.155 4.682 4.527 -0.000 0.000 0.296 259 F C 1.334 177.249 175.800 0.191 0.000 1.099 259 F CA -0.034 58.043 58.000 0.128 0.000 1.427 259 F CB -0.730 38.314 39.000 0.073 0.000 1.079 259 F HN 0.104 nan 8.300 nan 0.000 0.536 260 T N -1.814 112.900 114.554 0.268 0.000 2.864 260 T HA 0.750 5.100 4.350 -0.000 0.000 0.299 260 T C -0.808 173.658 174.700 -0.390 0.000 1.166 260 T CA -1.067 60.996 62.100 -0.062 0.000 1.007 260 T CB 3.128 71.815 68.868 -0.302 0.000 1.219 260 T HN -0.183 nan 8.240 nan 0.000 0.506 261 R N 0.480 120.571 120.500 -0.681 0.000 2.584 261 R HA 0.409 4.749 4.340 -0.000 0.000 0.276 261 R C -1.985 173.860 176.300 -0.757 0.000 1.046 261 R CA -0.696 54.944 56.100 -0.766 0.000 0.906 261 R CB 1.752 31.343 30.300 -1.183 0.000 1.215 261 R HN 0.806 nan 8.270 nan 0.000 0.449 262 Y N 2.541 122.551 120.300 -0.483 0.000 2.328 262 Y HA 0.497 5.047 4.550 -0.000 0.000 0.337 262 Y C 0.687 176.392 175.900 -0.325 0.000 0.966 262 Y CA -0.554 57.263 58.100 -0.471 0.000 1.136 262 Y CB 1.382 39.474 38.460 -0.613 0.000 1.170 262 Y HN 0.329 nan 8.280 nan 0.000 0.470 263 I N 6.797 127.281 120.570 -0.143 0.000 2.307 263 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 263 I C -2.267 173.864 176.117 0.024 0.000 1.021 263 I CA -2.396 58.852 61.300 -0.086 0.000 1.224 263 I CB 1.379 39.300 38.000 -0.131 0.000 1.376 263 I HN 0.326 nan 8.210 nan 0.000 0.470 264 P HA 0.101 nan 4.420 nan 0.000 0.263 264 P C -0.794 176.532 177.300 0.045 0.000 1.195 264 P CA 0.274 63.414 63.100 0.066 0.000 0.762 264 P CB 0.898 32.617 31.700 0.032 0.000 0.799 265 I N 2.144 122.746 120.570 0.053 0.000 2.545 265 I HA 0.280 4.450 4.170 -0.000 0.000 0.292 265 I C 0.543 176.670 176.117 0.018 0.000 1.040 265 I CA -1.521 59.795 61.300 0.026 0.000 1.068 265 I CB 1.818 39.832 38.000 0.025 0.000 1.251 265 I HN 0.299 nan 8.210 nan 0.000 0.424 266 A N 5.788 128.613 122.820 0.008 0.000 2.500 266 A HA 0.128 4.447 4.320 -0.000 0.000 0.285 266 A C 0.574 178.160 177.584 0.003 0.000 1.183 266 A CA 0.308 52.348 52.037 0.004 0.000 0.851 266 A CB -0.849 18.149 19.000 -0.002 0.000 1.091 266 A HN 0.807 nan 8.150 nan 0.000 0.521 267 N N 1.563 120.266 118.700 0.006 0.000 2.501 267 N HA -0.181 4.559 4.740 -0.000 0.000 0.291 267 N C -0.367 175.151 175.510 0.013 0.000 1.304 267 N CA 1.352 54.406 53.050 0.006 0.000 0.686 267 N CB -1.036 37.449 38.487 -0.003 0.000 0.924 267 N HN 0.836 nan 8.380 nan 0.000 0.533 268 N N -2.689 116.034 118.700 0.039 0.000 2.727 268 N HA -0.146 4.594 4.740 -0.000 0.000 0.251 268 N C -2.712 172.852 175.510 0.090 0.000 1.040 268 N CA 0.798 53.902 53.050 0.091 0.000 0.712 268 N CB -0.555 37.949 38.487 0.028 0.000 0.912 268 N HN 0.471 nan 8.380 nan 0.000 0.545 269 P HA -0.022 nan 4.420 nan 0.000 0.266 269 P C 0.516 177.925 177.300 0.181 0.000 1.193 269 P CA 0.473 63.628 63.100 0.092 0.000 0.770 269 P CB 0.721 32.458 31.700 0.061 0.000 0.836 270 H N 1.311 120.388 119.070 0.012 0.000 3.022 270 H HA 0.345 4.901 4.556 -0.000 0.000 0.180 270 H C 0.748 176.094 175.328 0.030 0.000 1.111 270 H CA 0.723 56.778 56.048 0.012 0.000 1.304 270 H CB -0.399 29.285 29.762 -0.131 0.000 1.290 270 H HN 0.450 nan 8.280 nan 0.000 0.441 271 G N 0.226 108.953 108.800 -0.120 0.000 2.414 271 G HA2 0.265 4.224 3.960 -0.000 0.000 0.236 271 G HA3 0.265 4.224 3.960 -0.000 0.000 0.236 271 G C -0.653 174.309 174.900 0.104 0.000 1.293 271 G CA 0.292 45.372 45.100 -0.033 0.000 0.869 271 G HN 0.566 nan 8.290 nan 0.000 0.556 272 C N 3.419 122.821 119.300 0.169 0.000 2.814 272 C HA 0.499 4.958 4.460 -0.000 0.000 0.269 272 C C -0.383 174.760 174.990 0.255 0.000 1.090 272 C CA -1.327 57.803 59.018 0.187 0.000 1.492 272 C CB -1.447 26.414 27.740 0.201 0.000 1.825 272 C HN 0.727 nan 8.230 nan 0.000 0.442 273 N N 3.821 122.697 118.700 0.293 0.000 2.407 273 N HA 0.552 5.292 4.740 -0.000 0.000 0.277 273 N C -0.574 175.219 175.510 0.472 0.000 0.995 273 N CA -0.386 52.914 53.050 0.416 0.000 0.903 273 N CB 1.418 40.172 38.487 0.445 0.000 1.218 273 N HN 0.544 nan 8.380 nan 0.000 0.487 274 M N 2.841 122.675 119.600 0.389 0.000 2.162 274 M HA 0.495 4.975 4.480 -0.000 0.000 0.356 274 M C -0.421 175.877 176.300 -0.004 0.000 1.303 274 M CA -0.470 54.969 55.300 0.231 0.000 1.116 274 M CB 0.491 33.286 32.600 0.324 0.000 1.632 274 M HN 0.662 nan 8.290 nan 0.000 0.469 275 A N 6.868 129.407 122.820 -0.468 0.000 2.322 275 A HA 0.554 4.874 4.320 -0.000 0.000 0.269 275 A C -1.942 175.408 177.584 -0.389 0.000 1.094 275 A CA -1.274 50.087 52.037 -1.128 0.000 0.807 275 A CB -0.349 17.978 19.000 -1.122 0.000 1.047 275 A HN 0.802 nan 8.150 nan 0.000 0.487 276 P HA -0.122 nan 4.420 nan 0.000 0.228 276 P C 0.262 177.325 177.300 -0.394 0.000 1.151 276 P CA 1.507 64.455 63.100 -0.254 0.000 0.770 276 P CB 0.012 31.663 31.700 -0.081 0.000 0.786 277 D N -0.806 119.401 120.400 -0.322 0.000 2.363 277 D HA -0.083 4.556 4.640 -0.000 0.000 0.226 277 D C 0.557 176.650 176.300 -0.345 0.000 1.020 277 D CA 0.202 54.035 54.000 -0.279 0.000 0.892 277 D CB -0.683 40.011 40.800 -0.177 0.000 0.900 277 D HN 0.029 nan 8.370 nan 0.000 0.531 278 K N -1.331 118.819 120.400 -0.417 0.000 3.472 278 K HA -0.262 4.058 4.320 -0.000 0.000 0.315 278 K C 0.675 177.169 176.600 -0.177 0.000 1.320 278 K CA 1.499 57.609 56.287 -0.295 0.000 0.962 278 K CB -1.294 30.984 32.500 -0.370 0.000 1.251 278 K HN 0.362 nan 8.250 nan 0.000 0.443 279 K N -0.580 119.634 120.400 -0.309 0.000 2.504 279 K HA 0.135 4.455 4.320 -0.000 0.000 0.203 279 K C 0.189 176.493 176.600 -0.492 0.000 1.350 279 K CA -0.155 55.868 56.287 -0.441 0.000 0.953 279 K CB 0.435 32.542 32.500 -0.655 0.000 1.243 279 K HN 0.135 nan 8.250 nan 0.000 0.534 280 H N 1.392 120.372 119.070 -0.151 0.000 2.488 280 H HA 0.277 4.833 4.556 -0.000 0.000 0.322 280 H C -1.006 174.238 175.328 -0.140 0.000 1.078 280 H CA -0.843 55.116 56.048 -0.148 0.000 1.260 280 H CB 1.652 31.345 29.762 -0.116 0.000 1.425 280 H HN -0.053 nan 8.280 nan 0.000 0.471 281 L N 3.656 124.867 121.223 -0.021 0.000 2.287 281 L HA 0.334 4.674 4.340 -0.000 0.000 0.287 281 L C -0.808 176.098 176.870 0.061 0.000 1.022 281 L CA -0.447 54.352 54.840 -0.068 0.000 0.814 281 L CB 0.632 42.477 42.059 -0.356 0.000 1.217 281 L HN 0.596 nan 8.230 nan 0.000 0.420 282 C N 4.918 124.346 119.300 0.213 0.000 2.273 282 C HA 0.661 5.121 4.460 -0.000 0.000 0.328 282 C C 0.002 175.113 174.990 0.201 0.000 1.275 282 C CA -0.954 58.233 59.018 0.282 0.000 1.704 282 C CB 0.642 28.688 27.740 0.511 0.000 2.326 282 C HN 0.580 nan 8.230 nan 0.000 0.517 283 V N 3.736 123.724 119.914 0.123 0.000 2.384 283 V HA 0.582 4.702 4.120 -0.000 0.000 0.287 283 V C 0.588 176.725 176.094 0.071 0.000 1.020 283 V CA -0.307 62.045 62.300 0.086 0.000 0.850 283 V CB 1.305 33.153 31.823 0.042 0.000 0.987 283 V HN 1.022 nan 8.190 nan 0.000 0.436 284 A N 3.555 126.419 122.820 0.073 0.000 2.409 284 A HA 0.554 4.874 4.320 -0.000 0.000 0.267 284 A C 1.419 179.019 177.584 0.026 0.000 1.127 284 A CA 0.339 52.402 52.037 0.042 0.000 0.795 284 A CB 0.564 19.579 19.000 0.025 0.000 1.061 284 A HN 1.117 nan 8.150 nan 0.000 0.502 285 G N 1.044 109.844 108.800 -0.000 0.000 2.813 285 G HA2 0.072 4.031 3.960 -0.000 0.000 0.209 285 G HA3 0.072 4.031 3.960 -0.000 0.000 0.209 285 G C 1.047 175.940 174.900 -0.012 0.000 1.150 285 G CA 0.694 45.790 45.100 -0.006 0.000 0.785 285 G HN 1.076 nan 8.290 nan 0.000 0.535 286 K N -0.945 119.442 120.400 -0.022 0.000 8.933 286 K HA -0.359 3.961 4.320 -0.000 0.000 0.433 286 K C 1.849 178.422 176.600 -0.045 0.000 0.526 286 K CA 2.324 58.578 56.287 -0.055 0.000 1.517 286 K CB -1.373 31.067 32.500 -0.101 0.000 0.800 286 K HN 0.213 nan 8.250 nan 0.000 1.082 287 L N 0.656 121.851 121.223 -0.047 0.000 2.362 287 L HA -0.011 4.329 4.340 -0.000 0.000 0.219 287 L C 1.131 177.989 176.870 -0.019 0.000 1.134 287 L CA 0.711 55.531 54.840 -0.033 0.000 0.807 287 L CB -0.075 41.964 42.059 -0.034 0.000 0.927 287 L HN 0.281 nan 8.230 nan 0.000 0.447 288 S N 0.625 116.313 115.700 -0.019 0.000 2.437 288 S HA 0.330 4.799 4.470 -0.000 0.000 0.305 288 S C -1.986 172.597 174.600 -0.027 0.000 1.109 288 S CA -1.623 56.565 58.200 -0.019 0.000 1.099 288 S CB 1.266 64.455 63.200 -0.018 0.000 1.004 288 S HN -0.073 nan 8.310 nan 0.000 0.475 289 P HA 0.094 nan 4.420 nan 0.000 0.286 289 P C 0.037 177.295 177.300 -0.070 0.000 1.577 289 P CA 0.179 63.256 63.100 -0.039 0.000 0.805 289 P CB -0.980 30.701 31.700 -0.031 0.000 1.706 290 T N -3.856 110.653 114.554 -0.076 0.000 2.804 290 T HA 0.588 4.938 4.350 -0.000 0.000 0.290 290 T C -0.893 173.732 174.700 -0.124 0.000 1.099 290 T CA -0.835 61.194 62.100 -0.118 0.000 1.011 290 T CB 1.856 70.668 68.868 -0.093 0.000 1.291 290 T HN -0.202 nan 8.240 nan 0.000 0.523 291 V N 1.302 121.108 119.914 -0.181 0.000 2.524 291 V HA 0.496 4.616 4.120 -0.000 0.000 0.297 291 V C -0.251 175.771 176.094 -0.120 0.000 1.035 291 V CA -0.706 61.516 62.300 -0.131 0.000 0.867 291 V CB 1.939 33.649 31.823 -0.187 0.000 1.004 291 V HN 1.157 nan 8.190 nan 0.000 0.426 292 T N 4.707 119.230 114.554 -0.053 0.000 2.771 292 T HA 0.487 4.836 4.350 -0.000 0.000 0.291 292 T C -0.137 174.549 174.700 -0.024 0.000 0.954 292 T CA -0.214 61.844 62.100 -0.071 0.000 1.045 292 T CB 1.282 70.119 68.868 -0.052 0.000 0.917 292 T HN 0.349 nan 8.240 nan 0.000 0.484 293 V N 5.693 125.569 119.914 -0.063 0.000 2.370 293 V HA 0.454 4.574 4.120 -0.000 0.000 0.283 293 V C -0.234 175.828 176.094 -0.053 0.000 1.023 293 V CA -0.756 61.541 62.300 -0.005 0.000 0.857 293 V CB 0.950 32.773 31.823 0.001 0.000 0.985 293 V HN 0.674 nan 8.190 nan 0.000 0.443 294 L N 3.849 125.063 121.223 -0.016 0.000 2.334 294 L HA 0.577 4.917 4.340 -0.000 0.000 0.276 294 L C -0.008 176.815 176.870 -0.078 0.000 1.014 294 L CA -0.352 54.466 54.840 -0.036 0.000 0.815 294 L CB 1.703 43.773 42.059 0.019 0.000 1.268 294 L HN 0.495 nan 8.230 nan 0.000 0.428 295 D N 1.340 121.664 120.400 -0.126 0.000 2.428 295 D HA 0.122 4.762 4.640 -0.000 0.000 0.221 295 D C 1.075 177.031 176.300 -0.573 0.000 1.123 295 D CA -0.307 53.571 54.000 -0.203 0.000 0.869 295 D CB 1.797 42.549 40.800 -0.080 0.000 1.032 295 D HN 0.399 nan 8.370 nan 0.000 0.506 296 V N 2.394 121.849 119.914 -0.765 0.000 2.660 296 V HA -0.227 3.892 4.120 -0.000 0.000 0.257 296 V C 1.966 177.608 176.094 -0.753 0.000 1.088 296 V CA 2.248 63.768 62.300 -1.300 0.000 1.106 296 V CB -1.698 29.768 31.823 -0.595 0.000 0.686 296 V HN 0.649 nan 8.190 nan 0.000 0.481 297 T N -1.916 112.432 114.554 -0.343 0.000 3.113 297 T HA -0.029 4.321 4.350 -0.000 0.000 0.263 297 T C 1.757 176.426 174.700 -0.053 0.000 1.143 297 T CA 1.088 63.127 62.100 -0.103 0.000 1.090 297 T CB -0.500 68.325 68.868 -0.072 0.000 0.922 297 T HN 0.608 nan 8.240 nan 0.000 0.521 298 R N -0.785 119.626 120.500 -0.148 0.000 2.312 298 R HA 0.354 4.694 4.340 -0.000 0.000 0.205 298 R C 1.617 178.010 176.300 0.155 0.000 0.904 298 R CA -0.019 56.085 56.100 0.006 0.000 1.052 298 R CB -0.148 30.151 30.300 -0.002 0.000 1.014 298 R HN 0.465 nan 8.270 nan 0.000 0.503 299 F N 1.276 121.171 119.950 -0.093 0.000 2.134 299 F HA -0.237 4.289 4.527 -0.000 0.000 0.299 299 F C 1.855 177.721 175.800 0.111 0.000 1.097 299 F CA 0.361 58.244 58.000 -0.195 0.000 1.264 299 F CB 0.002 38.486 39.000 -0.860 0.000 1.001 299 F HN 0.019 nan 8.300 nan 0.000 0.479 300 D N 0.678 121.367 120.400 0.481 0.000 2.116 300 D HA -0.197 4.443 4.640 -0.000 0.000 0.193 300 D C 2.235 178.839 176.300 0.506 0.000 0.998 300 D CA 1.432 55.803 54.000 0.617 0.000 0.836 300 D CB -0.446 40.651 40.800 0.496 0.000 0.951 300 D HN 0.215 nan 8.370 nan 0.000 0.449 301 A N 0.207 123.219 122.820 0.319 0.000 1.940 301 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 301 A C 2.483 180.164 177.584 0.161 0.000 1.176 301 A CA 1.330 53.500 52.037 0.222 0.000 0.631 301 A CB -0.644 18.443 19.000 0.144 0.000 0.814 301 A HN 0.183 nan 8.150 nan 0.000 0.446 302 V N -1.654 118.342 119.914 0.136 0.000 2.626 302 V HA -0.191 3.929 4.120 -0.000 0.000 0.252 302 V C 2.159 178.156 176.094 -0.162 0.000 1.067 302 V CA 1.755 64.035 62.300 -0.034 0.000 1.081 302 V CB -0.876 30.877 31.823 -0.116 0.000 0.686 302 V HN 0.562 nan 8.190 nan 0.000 0.468 303 F N -1.344 118.528 119.950 -0.129 0.000 2.220 303 F HA 0.065 4.592 4.527 -0.000 0.000 0.290 303 F C 1.915 177.423 175.800 -0.488 0.000 1.080 303 F CA 1.208 58.985 58.000 -0.372 0.000 1.318 303 F CB -0.174 38.500 39.000 -0.543 0.000 1.063 303 F HN 0.133 nan 8.300 nan 0.000 0.498 304 Y N -1.461 118.984 120.300 0.241 0.000 2.444 304 Y HA 0.220 4.770 4.550 -0.000 0.000 0.249 304 Y C 1.012 176.962 175.900 0.082 0.000 1.134 304 Y CA -0.005 58.179 58.100 0.140 0.000 1.261 304 Y CB 0.033 38.575 38.460 0.137 0.000 1.143 304 Y HN 0.006 nan 8.280 nan 0.000 0.523 305 E N -0.012 120.299 120.200 0.184 0.000 2.693 305 E HA 0.074 4.424 4.350 -0.000 0.000 0.214 305 E C -0.109 176.522 176.600 0.053 0.000 0.990 305 E CA -0.181 56.287 56.400 0.114 0.000 1.047 305 E CB 0.134 29.904 29.700 0.117 0.000 1.039 305 E HN 0.237 nan 8.360 nan 0.000 0.475 306 N N 0.889 119.599 118.700 0.017 0.000 2.693 306 N HA -0.242 4.498 4.740 -0.000 0.000 0.249 306 N C -0.393 175.104 175.510 -0.022 0.000 1.119 306 N CA 0.657 53.693 53.050 -0.024 0.000 0.717 306 N CB -0.816 37.661 38.487 -0.016 0.000 1.071 306 N HN 0.364 nan 8.380 nan 0.000 0.555 310 R N 1.091 121.582 120.500 -0.015 0.000 2.339 310 R HA 0.047 4.387 4.340 -0.000 0.000 0.199 310 R C 1.360 177.681 176.300 0.035 0.000 1.018 310 R CA 1.256 57.363 56.100 0.012 0.000 1.036 310 R CB -0.189 30.123 30.300 0.020 0.000 0.899 310 R HN 0.436 nan 8.270 nan 0.000 0.473 311 S N -0.441 115.279 115.700 0.033 0.000 2.555 311 S HA -0.021 4.449 4.470 -0.000 0.000 0.230 311 S C 1.808 176.442 174.600 0.058 0.000 0.978 311 S CA 0.715 58.944 58.200 0.049 0.000 0.934 311 S CB 0.307 63.531 63.200 0.039 0.000 0.766 311 S HN 0.308 nan 8.310 nan 0.000 0.533 312 A N 0.887 123.746 122.820 0.065 0.000 2.178 312 A HA 0.459 4.779 4.320 -0.000 0.000 0.211 312 A C 0.783 178.386 177.584 0.031 0.000 1.157 312 A CA -0.064 52.020 52.037 0.079 0.000 0.780 312 A CB -0.172 18.965 19.000 0.227 0.000 0.828 312 A HN 0.386 nan 8.150 nan 0.000 0.476 313 V N 1.498 121.418 119.914 0.010 0.000 2.470 313 V HA 0.147 4.267 4.120 -0.000 0.000 0.276 313 V C 1.284 177.301 176.094 -0.128 0.000 1.040 313 V CA 0.597 62.848 62.300 -0.081 0.000 1.008 313 V CB 1.199 32.961 31.823 -0.101 0.000 0.990 313 V HN 0.443 nan 8.190 nan 0.000 0.477 314 V N 1.801 121.591 119.914 -0.206 0.000 3.477 314 V HA 0.836 4.956 4.120 -0.000 0.000 0.297 314 V C 0.409 176.261 176.094 -0.403 0.000 1.433 314 V CA 0.508 62.712 62.300 -0.159 0.000 1.052 314 V CB 0.023 31.832 31.823 -0.024 0.000 0.895 314 V HN 0.983 nan 8.190 nan 0.000 0.438 315 A N 0.143 122.523 122.820 -0.733 0.000 2.599 315 A HA 0.784 5.104 4.320 -0.000 0.000 0.294 315 A C -0.753 176.483 177.584 -0.580 0.000 1.055 315 A CA -0.048 51.583 52.037 -0.677 0.000 0.683 315 A CB 1.496 20.375 19.000 -0.202 0.000 1.278 315 A HN 0.283 nan 8.150 nan 0.000 0.412 316 E N 1.450 121.428 120.200 -0.368 0.000 3.124 316 E HA 0.227 4.577 4.350 -0.000 0.000 0.331 316 E C -2.855 173.678 176.600 -0.111 0.000 1.139 316 E CA -0.961 55.317 56.400 -0.204 0.000 0.949 316 E CB 0.993 30.607 29.700 -0.143 0.000 1.423 316 E HN 0.577 nan 8.360 nan 0.000 0.388 317 P HA 0.091 nan 4.420 nan 0.000 0.275 317 P C -0.531 176.631 177.300 -0.231 0.000 1.227 317 P CA -0.196 62.781 63.100 -0.205 0.000 0.781 317 P CB 1.124 32.630 31.700 -0.324 0.000 0.906 318 E N 2.550 122.661 120.200 -0.148 0.000 2.129 318 E HA 0.139 4.488 4.350 -0.000 0.000 0.283 318 E C 0.267 176.772 176.600 -0.159 0.000 1.080 318 E CA -0.280 56.044 56.400 -0.127 0.000 0.867 318 E CB 0.129 29.787 29.700 -0.070 0.000 1.056 318 E HN 0.426 nan 8.360 nan 0.000 0.404 319 L N 3.532 124.640 121.223 -0.191 0.000 2.537 319 L HA 0.446 4.786 4.340 -0.000 0.000 0.224 319 L C 1.040 177.853 176.870 -0.095 0.000 1.065 319 L CA 0.377 55.102 54.840 -0.192 0.000 0.860 319 L CB 0.494 42.364 42.059 -0.314 0.000 1.086 319 L HN 0.699 nan 8.230 nan 0.000 0.482 320 G N -0.260 108.499 108.800 -0.070 0.000 2.341 320 G HA2 0.209 4.169 3.960 -0.000 0.000 0.293 320 G HA3 0.209 4.169 3.960 -0.000 0.000 0.293 320 G C -1.685 173.207 174.900 -0.014 0.000 1.298 320 G CA -0.979 44.104 45.100 -0.029 0.000 0.868 320 G HN -0.131 nan 8.290 nan 0.000 0.540 321 L N 1.237 122.465 121.223 0.008 0.000 2.281 321 L HA 0.504 4.844 4.340 -0.000 0.000 0.285 321 L C 1.340 178.245 176.870 0.058 0.000 1.074 321 L CA 0.657 55.512 54.840 0.026 0.000 0.817 321 L CB 0.907 42.985 42.059 0.032 0.000 1.168 321 L HN 1.918 nan 8.230 nan 0.000 0.434 322 G N 3.454 112.287 108.800 0.054 0.000 2.303 322 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.260 322 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.260 322 G C -2.577 172.367 174.900 0.072 0.000 1.106 322 G CA -1.047 44.104 45.100 0.085 0.000 0.900 322 G HN 0.430 nan 8.290 nan 0.000 0.495 323 P HA 0.356 nan 4.420 nan 0.000 0.267 323 P C 0.965 178.267 177.300 0.002 0.000 1.209 323 P CA -0.017 63.097 63.100 0.024 0.000 0.763 323 P CB 0.839 32.532 31.700 -0.011 0.000 0.816 324 L N 2.034 123.262 121.223 0.008 0.000 2.586 324 L HA 0.239 4.579 4.340 -0.000 0.000 0.204 324 L C 0.752 177.430 176.870 -0.320 0.000 1.053 324 L CA 0.436 55.205 54.840 -0.118 0.000 0.856 324 L CB 0.104 42.107 42.059 -0.094 0.000 1.192 324 L HN 0.455 nan 8.230 nan 0.000 0.484 325 H N -0.875 118.277 119.070 0.137 0.000 2.980 325 H HA 0.490 5.046 4.556 -0.000 0.000 0.367 325 H C -1.169 174.223 175.328 0.108 0.000 1.206 325 H CA -0.413 55.702 56.048 0.111 0.000 1.126 325 H CB 2.350 32.163 29.762 0.084 0.000 1.838 325 H HN -0.180 nan 8.280 nan 0.000 0.552 326 T N 1.023 115.698 114.554 0.202 0.000 2.886 326 T HA 0.683 5.033 4.350 -0.000 0.000 0.292 326 T C -0.416 174.110 174.700 -0.290 0.000 1.012 326 T CA -0.676 61.419 62.100 -0.007 0.000 0.982 326 T CB 1.961 70.822 68.868 -0.011 0.000 1.018 326 T HN 0.713 nan 8.240 nan 0.000 0.451 327 A N 2.337 124.928 122.820 -0.382 0.000 2.384 327 A HA 0.982 5.302 4.320 -0.000 0.000 0.312 327 A C -1.564 175.683 177.584 -0.563 0.000 1.113 327 A CA -0.784 51.027 52.037 -0.376 0.000 0.779 327 A CB 1.022 20.002 19.000 -0.034 0.000 1.307 327 A HN 0.694 nan 8.150 nan 0.000 0.436 328 F N 0.455 120.524 119.950 0.198 0.000 2.576 328 F HA 0.500 5.027 4.527 -0.000 0.000 0.313 328 F C 0.027 175.928 175.800 0.167 0.000 1.078 328 F CA -0.790 57.312 58.000 0.169 0.000 0.921 328 F CB 1.990 41.040 39.000 0.084 0.000 1.232 328 F HN 0.707 nan 8.300 nan 0.000 0.459 329 D N 0.023 120.650 120.400 0.379 0.000 2.549 329 D HA 0.409 5.049 4.640 -0.000 0.000 0.270 329 D C 1.012 177.412 176.300 0.168 0.000 1.181 329 D CA -0.767 53.376 54.000 0.238 0.000 1.070 329 D CB 0.617 41.570 40.800 0.256 0.000 1.154 329 D HN 0.617 nan 8.370 nan 0.000 0.602 330 G N -1.492 107.372 108.800 0.108 0.000 3.088 330 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.212 330 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.212 330 G C 0.757 175.685 174.900 0.046 0.000 1.173 330 G CA -0.302 44.839 45.100 0.068 0.000 0.779 330 G HN 0.348 nan 8.290 nan 0.000 0.540 331 R N -0.352 120.183 120.500 0.058 0.000 2.468 331 R HA 0.295 4.635 4.340 -0.000 0.000 0.280 331 R C 1.459 177.765 176.300 0.011 0.000 0.963 331 R CA 0.308 56.427 56.100 0.032 0.000 1.083 331 R CB 0.592 30.914 30.300 0.037 0.000 1.200 331 R HN 0.220 nan 8.270 nan 0.000 0.541 332 G N 1.206 110.013 108.800 0.012 0.000 2.143 332 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.249 332 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.249 332 G C -0.298 174.558 174.900 -0.074 0.000 0.981 332 G CA -0.290 44.796 45.100 -0.023 0.000 0.665 332 G HN 0.297 nan 8.290 nan 0.000 0.528 333 N N 0.545 119.205 118.700 -0.066 0.000 2.492 333 N HA 0.695 5.435 4.740 -0.000 0.000 0.289 333 N C 0.149 175.460 175.510 -0.332 0.000 1.133 333 N CA 0.519 53.417 53.050 -0.255 0.000 0.961 333 N CB 1.792 40.122 38.487 -0.261 0.000 1.186 333 N HN 0.681 nan 8.380 nan 0.000 0.493 334 A N 1.327 123.665 122.820 -0.803 0.000 2.355 334 A HA 0.696 5.016 4.320 -0.000 0.000 0.324 334 A C -1.648 175.371 177.584 -0.942 0.000 1.117 334 A CA -0.532 50.990 52.037 -0.858 0.000 0.785 334 A CB 0.725 18.848 19.000 -1.461 0.000 1.254 334 A HN 0.620 nan 8.150 nan 0.000 0.453 335 Y N 0.494 120.636 120.300 -0.263 0.000 2.326 335 Y HA 0.519 5.068 4.550 -0.000 0.000 0.329 335 Y C 0.274 176.220 175.900 0.077 0.000 0.973 335 Y CA -0.372 57.715 58.100 -0.022 0.000 1.162 335 Y CB 2.403 40.849 38.460 -0.022 0.000 1.147 335 Y HN 0.564 nan 8.280 nan 0.000 0.456 336 T N 2.197 116.952 114.554 0.335 0.000 2.829 336 T HA 0.408 4.758 4.350 -0.000 0.000 0.280 336 T C -0.275 174.553 174.700 0.212 0.000 0.999 336 T CA -1.039 61.232 62.100 0.285 0.000 0.983 336 T CB 0.987 70.052 68.868 0.328 0.000 0.968 336 T HN 0.588 nan 8.240 nan 0.000 0.446 337 S N 3.173 118.989 115.700 0.194 0.000 2.545 337 S HA 0.533 5.003 4.470 -0.000 0.000 0.275 337 S C -0.263 174.422 174.600 0.141 0.000 1.299 337 S CA -0.885 57.417 58.200 0.171 0.000 1.048 337 S CB 0.058 63.383 63.200 0.207 0.000 0.938 337 S HN 0.581 nan 8.310 nan 0.000 0.496 338 L N 4.154 125.446 121.223 0.116 0.000 2.313 338 L HA 0.393 4.733 4.340 -0.000 0.000 0.273 338 L C 0.696 177.640 176.870 0.123 0.000 1.028 338 L CA -0.626 54.275 54.840 0.101 0.000 0.871 338 L CB 0.467 42.561 42.059 0.058 0.000 1.242 338 L HN 0.815 nan 8.230 nan 0.000 0.434 339 F N 2.602 122.564 119.950 0.020 0.000 2.065 339 F HA -0.273 4.253 4.527 -0.000 0.000 0.298 339 F C 1.786 177.613 175.800 0.045 0.000 1.112 339 F CA 1.973 59.989 58.000 0.026 0.000 1.212 339 F CB 0.175 39.169 39.000 -0.009 0.000 0.975 339 F HN 0.370 nan 8.300 nan 0.000 0.476 340 L N -0.438 120.889 121.223 0.174 0.000 2.023 340 L HA -0.186 4.154 4.340 -0.000 0.000 0.205 340 L C 2.040 178.910 176.870 -0.000 0.000 1.073 340 L CA 1.422 56.307 54.840 0.074 0.000 0.745 340 L CB -0.818 41.321 42.059 0.133 0.000 0.900 340 L HN 0.018 nan 8.230 nan 0.000 0.435 341 D N -0.325 120.085 120.400 0.017 0.000 2.310 341 D HA -0.117 4.523 4.640 -0.000 0.000 0.212 341 D C 1.121 177.410 176.300 -0.019 0.000 0.965 341 D CA 0.683 54.685 54.000 0.003 0.000 0.879 341 D CB 0.059 40.865 40.800 0.010 0.000 0.921 341 D HN 0.168 nan 8.370 nan 0.000 0.510 342 S N -0.059 115.615 115.700 -0.043 0.000 3.711 342 S HA -0.218 4.252 4.470 -0.000 0.000 0.374 342 S C -0.207 174.351 174.600 -0.069 0.000 0.969 342 S CA 0.536 58.693 58.200 -0.071 0.000 1.198 342 S CB -1.206 61.963 63.200 -0.051 0.000 0.903 342 S HN 0.404 nan 8.310 nan 0.000 0.493 343 Q N -0.424 119.361 119.800 -0.025 0.000 2.615 343 Q HA 0.743 5.083 4.340 -0.000 0.000 0.298 343 Q C -1.136 174.888 176.000 0.041 0.000 1.023 343 Q CA -1.078 54.718 55.803 -0.012 0.000 0.768 343 Q CB 1.947 30.686 28.738 0.002 0.000 1.500 343 Q HN 0.213 nan 8.270 nan 0.000 0.441 344 V N 1.121 121.074 119.914 0.065 0.000 2.495 344 V HA 0.466 4.586 4.120 -0.000 0.000 0.298 344 V C -1.041 175.137 176.094 0.141 0.000 1.031 344 V CA -0.675 61.700 62.300 0.125 0.000 0.871 344 V CB 1.788 33.699 31.823 0.147 0.000 0.988 344 V HN 0.501 nan 8.190 nan 0.000 0.432 345 V N 6.041 126.057 119.914 0.170 0.000 2.448 345 V HA 0.535 4.655 4.120 -0.000 0.000 0.295 345 V C -0.131 176.103 176.094 0.234 0.000 1.025 345 V CA -0.637 61.764 62.300 0.168 0.000 0.859 345 V CB 1.593 33.485 31.823 0.115 0.000 0.988 345 V HN 0.911 nan 8.190 nan 0.000 0.431 346 K N 8.488 128.971 120.400 0.138 0.000 2.211 346 K HA 0.477 4.797 4.320 -0.000 0.000 0.275 346 K C -1.161 175.474 176.600 0.059 0.000 1.024 346 K CA -0.619 55.614 56.287 -0.089 0.000 0.887 346 K CB 0.815 33.246 32.500 -0.115 0.000 1.084 346 K HN 0.807 nan 8.250 nan 0.000 0.463 347 W N 2.947 124.097 121.300 -0.250 0.000 3.107 347 W HA 0.351 5.011 4.660 -0.000 0.000 0.331 347 W C -1.437 175.005 176.519 -0.129 0.000 1.204 347 W CA -1.069 56.192 57.345 -0.140 0.000 1.184 347 W CB 0.213 29.623 29.460 -0.084 0.000 1.421 347 W HN 0.434 nan 8.180 nan 0.000 0.544 348 N N 2.105 120.832 118.700 0.046 0.000 2.422 348 N HA 0.216 4.956 4.740 -0.000 0.000 0.266 348 N C 0.990 176.501 175.510 0.001 0.000 1.007 348 N CA -0.239 52.765 53.050 -0.078 0.000 0.941 348 N CB 1.232 39.711 38.487 -0.014 0.000 1.115 348 N HN 0.502 nan 8.380 nan 0.000 0.492 349 I N 3.042 123.496 120.570 -0.193 0.000 2.163 349 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 349 I C 1.542 177.638 176.117 -0.035 0.000 1.085 349 I CA 1.356 62.590 61.300 -0.110 0.000 1.347 349 I CB -0.043 37.830 38.000 -0.213 0.000 1.044 349 I HN 0.573 nan 8.210 nan 0.000 0.408 350 E N 1.012 121.187 120.200 -0.043 0.000 2.118 350 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 350 E C 1.773 178.385 176.600 0.021 0.000 0.992 350 E CA 1.355 57.746 56.400 -0.015 0.000 0.804 350 E CB -0.246 29.456 29.700 0.003 0.000 0.741 350 E HN 0.460 nan 8.360 nan 0.000 0.458 351 D N 0.248 120.674 120.400 0.044 0.000 2.117 351 D HA -0.081 4.559 4.640 -0.000 0.000 0.198 351 D C 1.917 178.270 176.300 0.088 0.000 0.982 351 D CA 1.340 55.378 54.000 0.062 0.000 0.828 351 D CB -0.261 40.580 40.800 0.068 0.000 0.967 351 D HN 0.214 nan 8.370 nan 0.000 0.464 352 A N 1.005 123.908 122.820 0.139 0.000 1.933 352 A HA -0.140 4.179 4.320 -0.000 0.000 0.218 352 A C 2.346 179.994 177.584 0.105 0.000 1.175 352 A CA 0.848 52.972 52.037 0.146 0.000 0.628 352 A CB -0.672 18.490 19.000 0.270 0.000 0.814 352 A HN 0.191 nan 8.150 nan 0.000 0.444 353 I N -1.076 119.532 120.570 0.063 0.000 2.315 353 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 353 I C 2.733 178.912 176.117 0.103 0.000 1.117 353 I CA 1.163 62.496 61.300 0.054 0.000 1.404 353 I CB -0.335 37.649 38.000 -0.026 0.000 1.071 353 I HN 0.300 nan 8.210 nan 0.000 0.419 354 R N 0.827 121.371 120.500 0.073 0.000 2.092 354 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 354 R C 2.487 178.825 176.300 0.063 0.000 1.119 354 R CA 1.334 57.471 56.100 0.061 0.000 0.970 354 R CB -0.413 29.913 30.300 0.042 0.000 0.864 354 R HN 0.327 nan 8.270 nan 0.000 0.440 355 A N 0.682 123.547 122.820 0.075 0.000 1.877 355 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 355 A C 1.995 179.626 177.584 0.078 0.000 1.186 355 A CA 1.182 53.257 52.037 0.063 0.000 0.620 355 A CB -0.782 18.257 19.000 0.064 0.000 0.822 355 A HN 0.409 nan 8.150 nan 0.000 0.443 356 Y N 0.794 121.089 120.300 -0.009 0.000 2.165 356 Y HA -0.143 4.407 4.550 -0.000 0.000 0.286 356 Y C 2.656 178.551 175.900 -0.008 0.000 1.155 356 Y CA 1.104 59.196 58.100 -0.013 0.000 1.164 356 Y CB -0.584 37.867 38.460 -0.014 0.000 0.978 356 Y HN 0.332 nan 8.280 nan 0.000 0.513 357 A N -0.656 122.210 122.820 0.077 0.000 1.873 357 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 357 A C 2.158 179.699 177.584 -0.072 0.000 1.193 357 A CA 2.449 54.486 52.037 -0.001 0.000 0.629 357 A CB -1.330 17.695 19.000 0.041 0.000 0.826 357 A HN 0.940 nan 8.150 nan 0.000 0.447 358 G N -2.206 106.569 108.800 -0.042 0.000 3.272 358 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.219 358 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.219 358 G C -0.092 174.795 174.900 -0.022 0.000 0.952 358 G CA 0.154 45.223 45.100 -0.052 0.000 0.833 358 G HN 0.499 nan 8.290 nan 0.000 0.608 359 E N 0.933 121.131 120.200 -0.005 0.000 2.408 359 E HA 0.310 4.660 4.350 -0.000 0.000 0.259 359 E C -0.144 176.458 176.600 0.004 0.000 1.110 359 E CA -0.005 56.396 56.400 0.002 0.000 0.929 359 E CB 0.540 30.248 29.700 0.012 0.000 0.971 359 E HN -0.119 nan 8.360 nan 0.000 0.438 360 K N 2.116 122.518 120.400 0.004 0.000 2.219 360 K HA 0.282 4.602 4.320 -0.000 0.000 0.280 360 K C -0.888 175.718 176.600 0.011 0.000 1.104 360 K CA -0.139 56.151 56.287 0.005 0.000 0.925 360 K CB 0.460 32.962 32.500 0.002 0.000 1.261 360 K HN 0.249 nan 8.250 nan 0.000 0.445 361 V N 1.869 121.792 119.914 0.016 0.000 3.023 361 V HA 0.198 4.317 4.120 -0.000 0.000 0.294 361 V C -1.848 174.262 176.094 0.027 0.000 1.324 361 V CA -0.959 61.354 62.300 0.022 0.000 0.979 361 V CB 2.395 34.235 31.823 0.027 0.000 1.093 361 V HN 0.611 nan 8.190 nan 0.000 0.434 362 D N 7.198 127.615 120.400 0.028 0.000 2.359 362 D HA 0.471 5.111 4.640 -0.000 0.000 0.230 362 D C -1.494 174.836 176.300 0.051 0.000 1.118 362 D CA -1.813 52.206 54.000 0.031 0.000 0.844 362 D CB 2.389 43.203 40.800 0.025 0.000 1.059 362 D HN 0.472 nan 8.370 nan 0.000 0.493 363 P HA -0.015 nan 4.420 nan 0.000 0.221 363 P C 0.845 178.240 177.300 0.157 0.000 1.150 363 P CA 0.273 63.449 63.100 0.127 0.000 0.800 363 P CB 0.551 32.348 31.700 0.162 0.000 0.787 364 I N 0.939 121.572 120.570 0.105 0.000 2.598 364 I HA 0.003 4.173 4.170 -0.000 0.000 0.284 364 I C 1.567 177.731 176.117 0.079 0.000 1.140 364 I CA 0.102 61.465 61.300 0.106 0.000 1.420 364 I CB 0.573 38.600 38.000 0.046 0.000 1.387 364 I HN -0.163 nan 8.210 nan 0.000 0.553 365 K N 3.244 123.691 120.400 0.079 0.000 2.365 365 K HA 0.245 4.565 4.320 -0.000 0.000 0.195 365 K C -0.172 176.456 176.600 0.047 0.000 1.079 365 K CA 0.345 56.660 56.287 0.047 0.000 0.979 365 K CB 0.215 32.728 32.500 0.022 0.000 0.929 365 K HN 0.640 nan 8.250 nan 0.000 0.523 366 D N -0.460 119.976 120.400 0.059 0.000 2.728 366 D HA 0.254 4.894 4.640 -0.000 0.000 0.249 366 D C -1.727 174.618 176.300 0.074 0.000 1.225 366 D CA -0.409 53.628 54.000 0.062 0.000 0.748 366 D CB 1.160 42.001 40.800 0.070 0.000 1.326 366 D HN -0.230 nan 8.370 nan 0.000 0.426 367 K N 1.215 121.654 120.400 0.065 0.000 2.482 367 K HA 0.618 4.937 4.320 -0.000 0.000 0.251 367 K C -1.438 175.195 176.600 0.055 0.000 0.936 367 K CA -0.981 55.344 56.287 0.063 0.000 0.791 367 K CB 2.479 35.005 32.500 0.043 0.000 1.213 367 K HN 0.327 nan 8.250 nan 0.000 0.428 368 L N 2.476 123.734 121.223 0.058 0.000 2.381 368 L HA 0.383 4.723 4.340 -0.000 0.000 0.274 368 L C -1.155 175.712 176.870 -0.004 0.000 0.988 368 L CA -0.335 54.529 54.840 0.039 0.000 0.824 368 L CB 1.574 43.672 42.059 0.064 0.000 1.263 368 L HN 0.494 nan 8.230 nan 0.000 0.410 369 D N 4.320 124.695 120.400 -0.041 0.000 2.383 369 D HA 0.323 4.963 4.640 -0.000 0.000 0.252 369 D C 0.082 176.214 176.300 -0.280 0.000 1.166 369 D CA 0.253 54.165 54.000 -0.146 0.000 0.879 369 D CB 1.480 42.192 40.800 -0.146 0.000 1.164 369 D HN 0.427 nan 8.370 nan 0.000 0.462 370 V N 0.558 120.274 119.914 -0.331 0.000 3.193 370 V HA 0.385 4.505 4.120 -0.000 0.000 0.320 370 V C 0.186 175.842 176.094 -0.729 0.000 1.112 370 V CA -0.769 61.324 62.300 -0.345 0.000 1.026 370 V CB 1.929 33.682 31.823 -0.117 0.000 1.128 370 V HN 0.475 nan 8.190 nan 0.000 0.452 371 H N 2.203 121.102 119.070 -0.284 0.000 2.680 371 H HA 0.438 4.994 4.556 -0.000 0.000 0.260 371 H C -1.455 173.438 175.328 -0.725 0.000 1.328 371 H CA -0.005 55.604 56.048 -0.732 0.000 1.269 371 H CB -0.192 29.083 29.762 -0.812 0.000 1.446 371 H HN 0.782 nan 8.280 nan 0.000 0.527 372 Y N -0.369 119.958 120.300 0.045 0.000 2.879 372 Y HA -0.207 4.342 4.550 -0.000 0.000 0.042 372 Y C 0.145 176.059 175.900 0.022 0.000 2.189 372 Y CA -0.784 57.370 58.100 0.091 0.000 1.141 372 Y CB -2.254 36.347 38.460 0.235 0.000 1.832 372 Y HN 0.604 nan 8.280 nan 0.000 0.294 373 Q N -1.377 118.404 119.800 -0.033 0.000 2.398 373 Q HA -0.136 4.204 4.340 -0.000 0.000 0.355 373 Q C -2.491 173.424 176.000 -0.142 0.000 1.334 373 Q CA 1.218 56.746 55.803 -0.457 0.000 0.993 373 Q CB -0.527 27.697 28.738 -0.857 0.000 1.112 373 Q HN 0.469 nan 8.270 nan 0.000 0.305 374 P HA 0.269 nan 4.420 nan 0.000 0.279 374 P C 0.319 177.781 177.300 0.270 0.000 1.239 374 P CA 0.228 63.402 63.100 0.124 0.000 0.789 374 P CB 1.755 33.513 31.700 0.096 0.000 0.933 375 G N 2.359 111.314 108.800 0.258 0.000 2.930 375 G HA2 0.130 4.090 3.960 -0.000 0.000 0.209 375 G HA3 0.130 4.090 3.960 -0.000 0.000 0.209 375 G C 0.044 175.176 174.900 0.387 0.000 2.018 375 G CA 0.030 45.325 45.100 0.324 0.000 0.751 375 G HN 0.537 nan 8.290 nan 0.000 0.770 376 H N 0.540 119.763 119.070 0.256 0.000 2.690 376 H HA 0.462 5.018 4.556 -0.000 0.000 0.365 376 H C -0.088 175.264 175.328 0.039 0.000 1.142 376 H CA 0.514 56.555 56.048 -0.012 0.000 1.417 376 H CB 1.318 30.970 29.762 -0.183 0.000 1.446 376 H HN 0.418 nan 8.280 nan 0.000 0.599 377 L N -0.045 121.279 121.223 0.168 0.000 2.466 377 L HA 0.724 5.064 4.340 -0.000 0.000 0.258 377 L C -1.207 175.697 176.870 0.057 0.000 0.973 377 L CA -1.063 53.838 54.840 0.101 0.000 0.826 377 L CB 2.488 44.624 42.059 0.128 0.000 1.372 377 L HN 0.285 nan 8.230 nan 0.000 0.409 378 K N 1.228 121.634 120.400 0.009 0.000 2.523 378 K HA 0.654 4.973 4.320 -0.000 0.000 0.257 378 K C -0.844 175.756 176.600 -0.001 0.000 0.932 378 K CA -0.021 56.272 56.287 0.009 0.000 0.812 378 K CB 2.282 34.769 32.500 -0.021 0.000 1.326 378 K HN 0.931 nan 8.250 nan 0.000 0.433 379 T N -0.741 113.824 114.554 0.017 0.000 2.927 379 T HA 0.460 4.809 4.350 -0.000 0.000 0.281 379 T C -0.113 174.608 174.700 0.035 0.000 0.998 379 T CA -0.910 61.189 62.100 -0.002 0.000 1.019 379 T CB 1.166 70.034 68.868 -0.001 0.000 1.061 379 T HN 0.198 nan 8.240 nan 0.000 0.518 380 V N 3.990 123.898 119.914 -0.010 0.000 2.458 380 V HA 0.049 4.169 4.120 -0.000 0.000 0.287 380 V C 1.261 177.382 176.094 0.045 0.000 1.009 380 V CA 0.204 62.465 62.300 -0.065 0.000 1.091 380 V CB -0.915 30.692 31.823 -0.360 0.000 0.960 380 V HN 1.048 nan 8.190 nan 0.000 0.476 381 M N 2.860 122.551 119.600 0.152 0.000 2.612 381 M HA -0.215 4.265 4.480 -0.000 0.000 0.194 381 M C 1.472 177.848 176.300 0.127 0.000 0.530 381 M CA 0.979 56.385 55.300 0.176 0.000 0.548 381 M CB -1.659 31.025 32.600 0.141 0.000 2.013 381 M HN 0.820 nan 8.290 nan 0.000 0.711 382 G N 0.374 109.283 108.800 0.181 0.000 2.498 382 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.219 382 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.219 382 G C 1.007 176.104 174.900 0.329 0.000 1.119 382 G CA 0.940 46.186 45.100 0.243 0.000 0.766 382 G HN 0.719 nan 8.290 nan 0.000 0.552 383 E N 0.002 120.384 120.200 0.303 0.000 2.419 383 E HA 0.158 4.508 4.350 -0.000 0.000 0.190 383 E C 0.696 177.522 176.600 0.376 0.000 1.040 383 E CA 0.040 56.667 56.400 0.378 0.000 0.900 383 E CB 0.454 30.420 29.700 0.444 0.000 1.054 383 E HN 0.456 nan 8.360 nan 0.000 0.462 384 T N -3.893 110.797 114.554 0.226 0.000 2.864 384 T HA 0.336 4.686 4.350 -0.000 0.000 0.289 384 T C 0.789 175.644 174.700 0.258 0.000 1.082 384 T CA -0.809 61.432 62.100 0.236 0.000 1.009 384 T CB 0.832 69.531 68.868 -0.281 0.000 1.234 384 T HN -0.037 nan 8.240 nan 0.000 0.526 385 L N 0.130 121.507 121.223 0.257 0.000 2.456 385 L HA 0.082 4.422 4.340 -0.000 0.000 0.224 385 L C 1.149 178.055 176.870 0.060 0.000 1.148 385 L CA 0.867 55.765 54.840 0.098 0.000 0.825 385 L CB -0.325 41.800 42.059 0.110 0.000 0.937 385 L HN 0.676 nan 8.230 nan 0.000 0.450 386 D N 0.845 121.281 120.400 0.061 0.000 2.358 386 D HA 0.146 4.786 4.640 -0.000 0.000 0.224 386 D C 0.939 177.284 176.300 0.074 0.000 1.123 386 D CA 0.092 54.126 54.000 0.056 0.000 0.833 386 D CB 0.279 41.111 40.800 0.052 0.000 0.946 386 D HN 0.138 nan 8.370 nan 0.000 0.505 387 A N 1.488 124.358 122.820 0.084 0.000 2.580 387 A HA 0.182 4.502 4.320 -0.000 0.000 0.244 387 A C 1.186 178.823 177.584 0.089 0.000 1.045 387 A CA 0.315 52.415 52.037 0.105 0.000 0.761 387 A CB -0.062 19.024 19.000 0.144 0.000 0.962 387 A HN 0.235 nan 8.150 nan 0.000 0.512 388 T N 0.070 114.670 114.554 0.077 0.000 2.880 388 T HA 0.447 4.797 4.350 -0.000 0.000 0.279 388 T C 0.418 175.142 174.700 0.040 0.000 0.990 388 T CA -0.547 61.592 62.100 0.065 0.000 0.938 388 T CB 0.808 69.717 68.868 0.067 0.000 1.206 388 T HN 0.527 nan 8.240 nan 0.000 0.573 389 N N 0.173 118.883 118.700 0.017 0.000 2.238 389 N HA 0.143 4.882 4.740 -0.000 0.000 0.235 389 N C -0.096 175.356 175.510 -0.096 0.000 1.209 389 N CA 0.080 53.124 53.050 -0.011 0.000 0.879 389 N CB 0.602 39.097 38.487 0.013 0.000 1.136 389 N HN 0.757 nan 8.380 nan 0.000 0.517 390 D N -0.643 119.666 120.400 -0.152 0.000 2.468 390 D HA -0.009 4.630 4.640 -0.000 0.000 0.243 390 D C 0.306 176.281 176.300 -0.543 0.000 0.994 390 D CA 0.589 54.347 54.000 -0.404 0.000 0.932 390 D CB -0.229 40.291 40.800 -0.467 0.000 1.078 390 D HN 0.079 nan 8.370 nan 0.000 0.473 391 W N -0.217 121.055 121.300 -0.047 0.000 2.719 391 W HA 0.654 5.314 4.660 -0.000 0.000 0.352 391 W C -1.013 175.430 176.519 -0.128 0.000 1.085 391 W CA -1.329 55.979 57.345 -0.063 0.000 1.187 391 W CB 1.696 31.144 29.460 -0.020 0.000 1.417 391 W HN -0.104 nan 8.180 nan 0.000 0.557 392 L N 2.289 123.635 121.223 0.204 0.000 2.470 392 L HA 0.672 5.012 4.340 -0.000 0.000 0.268 392 L C -1.491 175.435 176.870 0.093 0.000 0.964 392 L CA -0.720 54.132 54.840 0.020 0.000 0.839 392 L CB 1.665 43.625 42.059 -0.165 0.000 1.276 392 L HN 0.218 nan 8.230 nan 0.000 0.403 393 V N 4.059 124.014 119.914 0.068 0.000 2.398 393 V HA 0.447 4.567 4.120 -0.000 0.000 0.286 393 V C -0.310 175.827 176.094 0.072 0.000 1.026 393 V CA -0.528 61.831 62.300 0.097 0.000 0.868 393 V CB 1.426 33.309 31.823 0.101 0.000 0.982 393 V HN 0.920 nan 8.190 nan 0.000 0.443 394 C N 7.474 126.836 119.300 0.104 0.000 2.319 394 C HA 0.732 5.192 4.460 -0.000 0.000 0.323 394 C C -0.423 174.640 174.990 0.120 0.000 1.277 394 C CA -0.638 58.442 59.018 0.103 0.000 1.517 394 C CB -0.294 27.506 27.740 0.099 0.000 2.206 394 C HN 0.781 nan 8.230 nan 0.000 0.486 395 L N 6.356 127.647 121.223 0.113 0.000 2.272 395 L HA 0.412 4.752 4.340 -0.000 0.000 0.284 395 L C 0.650 177.588 176.870 0.113 0.000 1.045 395 L CA 0.643 55.554 54.840 0.120 0.000 0.842 395 L CB 0.951 43.054 42.059 0.073 0.000 1.224 395 L HN 0.634 nan 8.230 nan 0.000 0.430 396 S N 1.841 117.606 115.700 0.109 0.000 2.672 396 S HA 0.425 4.895 4.470 -0.000 0.000 0.276 396 S C 0.975 175.601 174.600 0.043 0.000 1.207 396 S CA -0.798 57.451 58.200 0.083 0.000 1.002 396 S CB 1.307 64.557 63.200 0.083 0.000 0.998 396 S HN 0.431 nan 8.310 nan 0.000 0.542 397 K N 0.242 120.613 120.400 -0.049 0.000 2.367 397 K HA 0.273 4.593 4.320 -0.000 0.000 0.194 397 K C -0.753 175.668 176.600 -0.298 0.000 1.027 397 K CA 0.474 56.626 56.287 -0.226 0.000 1.075 397 K CB 0.060 32.340 32.500 -0.366 0.000 0.845 397 K HN 0.395 nan 8.250 nan 0.000 0.529 398 F N 0.064 120.119 119.950 0.175 0.000 2.576 398 F HA 0.181 4.708 4.527 -0.000 0.000 0.313 398 F C 1.204 177.209 175.800 0.341 0.000 1.078 398 F CA -1.152 56.972 58.000 0.207 0.000 0.921 398 F CB 2.012 41.110 39.000 0.163 0.000 1.232 398 F HN -0.157 nan 8.300 nan 0.000 0.459 399 S N -0.204 115.825 115.700 0.548 0.000 2.593 399 S HA 0.212 4.682 4.470 -0.000 0.000 0.235 399 S C 0.946 175.838 174.600 0.487 0.000 1.059 399 S CA 0.035 58.562 58.200 0.545 0.000 0.953 399 S CB 0.091 63.640 63.200 0.581 0.000 0.897 399 S HN 0.659 nan 8.310 nan 0.000 0.507 400 K N 1.827 122.404 120.400 0.295 0.000 2.026 400 K HA -0.301 4.019 4.320 -0.000 0.000 0.145 400 K C 0.612 177.281 176.600 0.115 0.000 0.872 400 K CA 2.339 58.676 56.287 0.084 0.000 0.349 400 K CB -1.578 30.785 32.500 -0.228 0.000 0.715 400 K HN 0.623 nan 8.250 nan 0.000 0.815 401 D N 0.794 121.253 120.400 0.099 0.000 2.340 401 D HA -0.026 4.613 4.640 -0.000 0.000 0.220 401 D C 1.309 177.612 176.300 0.005 0.000 1.039 401 D CA 0.404 54.439 54.000 0.059 0.000 0.866 401 D CB 0.042 40.861 40.800 0.033 0.000 0.913 401 D HN 0.196 nan 8.370 nan 0.000 0.523 402 R N -0.474 120.005 120.500 -0.035 0.000 2.235 402 R HA 0.120 4.460 4.340 -0.000 0.000 0.213 402 R C -0.159 175.661 176.300 -0.800 0.000 1.059 402 R CA 0.508 56.335 56.100 -0.455 0.000 0.997 402 R CB -0.071 29.859 30.300 -0.616 0.000 0.884 402 R HN 0.236 nan 8.270 nan 0.000 0.462 403 F N -1.219 118.770 119.950 0.065 0.000 2.650 403 F HA 0.363 4.890 4.527 -0.000 0.000 0.320 403 F C 0.303 176.127 175.800 0.041 0.000 1.091 403 F CA -1.171 56.857 58.000 0.046 0.000 0.962 403 F CB 0.613 39.645 39.000 0.053 0.000 1.363 403 F HN -0.346 nan 8.300 nan 0.000 0.482 404 L N 1.886 123.255 121.223 0.243 0.000 2.525 404 L HA 0.003 4.342 4.340 -0.000 0.000 0.278 404 L C 0.330 177.282 176.870 0.138 0.000 1.218 404 L CA -0.031 54.892 54.840 0.137 0.000 0.878 404 L CB -0.004 42.117 42.059 0.102 0.000 1.127 404 L HN 0.541 nan 8.230 nan 0.000 0.492 405 N N 2.307 121.065 118.700 0.097 0.000 2.440 405 N HA 0.042 4.782 4.740 -0.000 0.000 0.265 405 N C 0.298 175.853 175.510 0.076 0.000 1.239 405 N CA -0.140 52.962 53.050 0.087 0.000 0.909 405 N CB 1.096 39.619 38.487 0.060 0.000 1.066 405 N HN 0.391 nan 8.380 nan 0.000 0.474 406 V N 1.039 121.003 119.914 0.083 0.000 3.319 406 V HA 0.648 4.767 4.120 -0.000 0.000 0.317 406 V C 0.931 177.064 176.094 0.065 0.000 1.411 406 V CA 0.238 62.578 62.300 0.067 0.000 1.112 406 V CB -0.705 31.158 31.823 0.067 0.000 1.031 406 V HN 0.820 nan 8.190 nan 0.000 0.448 407 G N 0.733 109.571 108.800 0.064 0.000 2.422 407 G HA2 -0.032 3.927 3.960 -0.000 0.000 0.607 407 G HA3 -0.032 3.927 3.960 -0.000 0.000 0.607 407 G C -2.172 172.766 174.900 0.063 0.000 1.270 407 G CA -0.185 44.950 45.100 0.058 0.000 0.992 407 G HN 0.172 nan 8.290 nan 0.000 0.499 408 P HA 0.088 nan 4.420 nan 0.000 0.221 408 P C 0.954 178.298 177.300 0.074 0.000 1.145 408 P CA 0.679 63.814 63.100 0.058 0.000 0.795 408 P CB 0.218 31.949 31.700 0.051 0.000 0.775 409 L N 0.001 121.275 121.223 0.086 0.000 2.280 409 L HA 0.316 4.655 4.340 -0.000 0.000 0.287 409 L C -0.134 176.803 176.870 0.112 0.000 1.023 409 L CA -0.534 54.366 54.840 0.099 0.000 0.819 409 L CB 0.959 43.087 42.059 0.115 0.000 1.212 409 L HN -0.152 nan 8.230 nan 0.000 0.420 410 K N 5.695 126.166 120.400 0.118 0.000 2.221 410 K HA 0.595 4.914 4.320 -0.000 0.000 0.243 410 K C -2.397 174.277 176.600 0.124 0.000 0.968 410 K CA -1.661 54.708 56.287 0.137 0.000 0.846 410 K CB 1.756 34.358 32.500 0.170 0.000 1.141 410 K HN 0.426 nan 8.250 nan 0.000 0.434 411 P HA 0.067 nan 4.420 nan 0.000 0.274 411 P C -0.797 176.571 177.300 0.113 0.000 1.246 411 P CA -0.211 62.927 63.100 0.063 0.000 0.795 411 P CB 0.688 32.349 31.700 -0.065 0.000 1.006 412 E N 0.708 120.953 120.200 0.074 0.000 2.322 412 E HA 0.265 4.615 4.350 -0.000 0.000 0.257 412 E C -0.088 176.626 176.600 0.190 0.000 1.155 412 E CA -0.414 56.054 56.400 0.113 0.000 0.936 412 E CB 0.176 29.907 29.700 0.052 0.000 1.130 412 E HN 0.356 nan 8.360 nan 0.000 0.465 413 N N 1.400 120.239 118.700 0.232 0.000 2.531 413 N HA 0.141 4.881 4.740 -0.000 0.000 0.268 413 N C -1.789 173.859 175.510 0.229 0.000 1.023 413 N CA -0.396 52.836 53.050 0.304 0.000 0.896 413 N CB 0.619 39.315 38.487 0.349 0.000 1.233 413 N HN 0.104 nan 8.380 nan 0.000 0.512 414 D N 2.406 122.949 120.400 0.238 0.000 2.443 414 D HA 0.196 4.836 4.640 -0.000 0.000 0.221 414 D C -0.121 176.319 176.300 0.232 0.000 1.097 414 D CA -0.060 54.093 54.000 0.256 0.000 0.865 414 D CB 1.035 42.074 40.800 0.398 0.000 1.034 414 D HN 0.455 nan 8.370 nan 0.000 0.511 415 Q N 0.908 120.824 119.800 0.194 0.000 2.235 415 Q HA 0.459 4.799 4.340 -0.000 0.000 0.250 415 Q C -0.450 175.647 176.000 0.163 0.000 0.909 415 Q CA -0.958 54.949 55.803 0.174 0.000 0.910 415 Q CB 2.223 31.047 28.738 0.145 0.000 1.223 415 Q HN 0.306 nan 8.270 nan 0.000 0.432 416 L N 3.330 124.648 121.223 0.157 0.000 2.275 416 L HA 0.502 4.841 4.340 -0.000 0.000 0.288 416 L C -1.333 175.640 176.870 0.172 0.000 1.046 416 L CA 0.036 54.956 54.840 0.133 0.000 0.805 416 L CB 0.788 42.874 42.059 0.045 0.000 1.193 416 L HN 0.540 nan 8.230 nan 0.000 0.426 417 I N 4.059 124.769 120.570 0.233 0.000 2.509 417 I HA 0.310 4.479 4.170 -0.000 0.000 0.293 417 I C -0.780 175.527 176.117 0.318 0.000 1.020 417 I CA -0.765 60.670 61.300 0.224 0.000 1.088 417 I CB 1.923 39.998 38.000 0.124 0.000 1.267 417 I HN 0.513 nan 8.210 nan 0.000 0.430 418 D N 6.888 127.418 120.400 0.216 0.000 2.316 418 D HA 0.253 4.893 4.640 -0.000 0.000 0.245 418 D C 0.439 176.706 176.300 -0.055 0.000 1.171 418 D CA -0.177 53.816 54.000 -0.012 0.000 0.856 418 D CB 1.108 41.864 40.800 -0.073 0.000 1.090 418 D HN 0.556 nan 8.370 nan 0.000 0.476 419 I N 1.073 121.569 120.570 -0.123 0.000 3.927 419 I HA 0.113 4.282 4.170 -0.000 0.000 0.332 419 I C 1.369 177.453 176.117 -0.056 0.000 1.485 419 I CA -0.424 60.837 61.300 -0.065 0.000 1.131 419 I CB 0.208 38.102 38.000 -0.177 0.000 1.092 419 I HN 0.131 nan 8.210 nan 0.000 0.410 420 S N 0.643 116.262 115.700 -0.134 0.000 2.447 420 S HA 0.142 4.612 4.470 -0.000 0.000 0.233 420 S C 1.161 175.734 174.600 -0.046 0.000 1.006 420 S CA 0.473 58.606 58.200 -0.111 0.000 0.957 420 S CB -0.571 62.520 63.200 -0.182 0.000 0.773 420 S HN 0.579 nan 8.310 nan 0.000 0.507 421 G N 0.316 109.099 108.800 -0.028 0.000 2.753 421 G HA2 0.456 4.415 3.960 -0.000 0.000 0.285 421 G HA3 0.456 4.415 3.960 -0.000 0.000 0.285 421 G C -0.315 174.600 174.900 0.026 0.000 1.344 421 G CA -0.298 44.801 45.100 -0.003 0.000 1.050 421 G HN 0.079 nan 8.290 nan 0.000 0.532 422 D N -0.401 120.014 120.400 0.024 0.000 2.144 422 D HA 0.021 4.660 4.640 -0.000 0.000 0.200 422 D C 0.626 176.954 176.300 0.046 0.000 0.978 422 D CA 1.102 55.122 54.000 0.033 0.000 0.833 422 D CB 0.230 41.044 40.800 0.024 0.000 0.961 422 D HN 0.027 nan 8.370 nan 0.000 0.470 423 K N 0.798 121.223 120.400 0.041 0.000 2.235 423 K HA 0.327 4.647 4.320 -0.000 0.000 0.266 423 K C 0.107 176.742 176.600 0.057 0.000 0.980 423 K CA -0.346 55.971 56.287 0.050 0.000 0.849 423 K CB 1.866 34.389 32.500 0.038 0.000 1.098 423 K HN 0.053 nan 8.250 nan 0.000 0.445 424 M N 1.845 121.495 119.600 0.083 0.000 2.248 424 M HA 0.118 4.598 4.480 -0.000 0.000 0.337 424 M C 0.011 176.350 176.300 0.065 0.000 1.121 424 M CA -0.137 55.215 55.300 0.087 0.000 1.155 424 M CB 0.437 33.113 32.600 0.127 0.000 1.514 424 M HN 0.089 nan 8.290 nan 0.000 0.452 425 V N 4.007 123.957 119.914 0.060 0.000 2.483 425 V HA 0.301 4.421 4.120 -0.000 0.000 0.297 425 V C -0.603 175.537 176.094 0.077 0.000 1.027 425 V CA -0.938 61.396 62.300 0.057 0.000 0.855 425 V CB 1.695 33.542 31.823 0.039 0.000 0.995 425 V HN 0.650 nan 8.190 nan 0.000 0.424 426 L N 6.633 127.898 121.223 0.070 0.000 2.410 426 L HA 0.373 4.712 4.340 -0.000 0.000 0.273 426 L C 0.826 177.723 176.870 0.045 0.000 1.144 426 L CA 0.836 55.721 54.840 0.076 0.000 0.863 426 L CB 1.361 43.470 42.059 0.083 0.000 1.140 426 L HN 0.628 nan 8.230 nan 0.000 0.463 427 V N 1.430 121.360 119.914 0.027 0.000 3.219 427 V HA 0.436 4.556 4.120 -0.000 0.000 0.240 427 V C 0.298 176.242 176.094 -0.249 0.000 1.222 427 V CA 0.020 62.248 62.300 -0.121 0.000 1.181 427 V CB -0.058 31.686 31.823 -0.132 0.000 0.941 427 V HN 0.789 nan 8.190 nan 0.000 0.471 428 H N 0.542 119.644 119.070 0.054 0.000 2.806 428 H HA 0.728 5.284 4.556 -0.000 0.000 0.367 428 H C -1.728 173.637 175.328 0.061 0.000 1.136 428 H CA -0.716 55.351 56.048 0.031 0.000 1.178 428 H CB 2.032 31.780 29.762 -0.023 0.000 1.718 428 H HN 0.306 nan 8.280 nan 0.000 0.540 429 D N 0.882 121.421 120.400 0.231 0.000 2.381 429 D HA 0.384 5.024 4.640 -0.000 0.000 0.235 429 D C 0.181 176.672 176.300 0.318 0.000 1.068 429 D CA -0.272 53.871 54.000 0.238 0.000 0.832 429 D CB 1.617 42.487 40.800 0.118 0.000 1.101 429 D HN 0.701 nan 8.370 nan 0.000 0.515 430 G N 2.958 111.917 108.800 0.265 0.000 2.522 430 G HA2 0.471 4.431 3.960 -0.000 0.000 0.318 430 G HA3 0.471 4.431 3.960 -0.000 0.000 0.318 430 G C -2.648 172.279 174.900 0.046 0.000 1.192 430 G CA -1.429 43.737 45.100 0.110 0.000 0.988 430 G HN 0.182 nan 8.290 nan 0.000 0.480 431 P HA 0.250 nan 4.420 nan 0.000 0.276 431 P C -0.183 176.996 177.300 -0.202 0.000 1.235 431 P CA 0.070 62.876 63.100 -0.489 0.000 0.772 431 P CB 1.412 32.451 31.700 -1.101 0.000 0.871 432 T N 0.392 114.903 114.554 -0.072 0.000 2.912 432 T HA 0.472 4.822 4.350 -0.000 0.000 0.299 432 T C -0.563 174.183 174.700 0.077 0.000 1.052 432 T CA -0.800 61.307 62.100 0.012 0.000 0.996 432 T CB 0.933 69.846 68.868 0.075 0.000 1.070 432 T HN 0.153 nan 8.240 nan 0.000 0.465 433 F N 3.210 123.148 119.950 -0.021 0.000 2.459 433 F HA 0.500 5.027 4.527 -0.000 0.000 0.346 433 F C 1.155 176.979 175.800 0.039 0.000 1.128 433 F CA -0.243 57.760 58.000 0.005 0.000 1.268 433 F CB 0.064 39.065 39.000 0.002 0.000 1.161 433 F HN 1.145 nan 8.300 nan 0.000 0.583 434 A N 4.889 126.972 122.820 -1.228 0.000 1.633 434 A HA -0.221 4.099 4.320 -0.000 0.000 0.242 434 A C 0.626 177.985 177.584 -0.376 0.000 1.141 434 A CA 1.366 52.849 52.037 -0.923 0.000 0.839 434 A CB -1.843 16.331 19.000 -1.377 0.000 1.116 434 A HN 0.915 nan 8.150 nan 0.000 0.290 435 E N -1.447 118.621 120.200 -0.220 0.000 2.811 435 E HA -0.180 4.170 4.350 -0.000 0.000 0.150 435 E C -2.454 174.092 176.600 -0.090 0.000 1.823 435 E CA 0.615 56.923 56.400 -0.152 0.000 0.661 435 E CB -0.820 28.758 29.700 -0.204 0.000 1.086 435 E HN 0.600 nan 8.360 nan 0.000 0.354 436 P HA 0.109 nan 4.420 nan 0.000 0.278 436 P C 0.148 177.400 177.300 -0.079 0.000 1.238 436 P CA -0.225 62.923 63.100 0.079 0.000 0.794 436 P CB 0.788 32.648 31.700 0.267 0.000 0.955 437 H N -0.032 119.020 119.070 -0.031 0.000 2.343 437 H HA 0.162 4.718 4.556 -0.000 0.000 0.322 437 H C 0.111 175.393 175.328 -0.076 0.000 1.194 437 H CA 0.736 56.829 56.048 0.075 0.000 1.780 437 H CB 0.118 29.946 29.762 0.110 0.000 1.521 437 H HN 0.423 nan 8.280 nan 0.000 0.638 438 D N -0.194 120.049 120.400 -0.262 0.000 2.487 438 D HA 0.589 5.229 4.640 -0.000 0.000 0.262 438 D C -0.876 175.137 176.300 -0.478 0.000 1.130 438 D CA -0.373 53.260 54.000 -0.611 0.000 1.038 438 D CB 1.745 42.021 40.800 -0.874 0.000 1.142 438 D HN 0.519 nan 8.370 nan 0.000 0.575 439 A N -0.182 122.339 122.820 -0.499 0.000 2.586 439 A HA 0.616 4.936 4.320 -0.000 0.000 0.291 439 A C -1.378 176.018 177.584 -0.313 0.000 1.062 439 A CA -0.623 51.072 52.037 -0.572 0.000 0.666 439 A CB 0.550 18.721 19.000 -1.383 0.000 1.281 439 A HN 0.577 nan 8.150 nan 0.000 0.421 440 I N -2.472 118.013 120.570 -0.141 0.000 3.074 440 I HA 0.965 5.135 4.170 -0.000 0.000 0.310 440 I C -0.291 175.897 176.117 0.118 0.000 1.153 440 I CA -1.211 60.118 61.300 0.049 0.000 0.993 440 I CB 2.297 40.389 38.000 0.152 0.000 1.237 440 I HN 1.213 nan 8.210 nan 0.000 0.443 441 A N 3.265 126.184 122.820 0.164 0.000 2.374 441 A HA 0.831 5.151 4.320 -0.000 0.000 0.305 441 A C -1.136 176.596 177.584 0.246 0.000 1.053 441 A CA -0.603 51.525 52.037 0.152 0.000 0.726 441 A CB 1.742 20.766 19.000 0.039 0.000 1.229 441 A HN 0.554 nan 8.150 nan 0.000 0.431 442 V N 3.003 123.098 119.914 0.303 0.000 2.604 442 V HA 0.326 4.446 4.120 -0.000 0.000 0.305 442 V C -0.021 176.372 176.094 0.499 0.000 1.043 442 V CA -0.775 61.761 62.300 0.393 0.000 0.888 442 V CB 1.736 33.745 31.823 0.310 0.000 0.995 442 V HN 0.974 nan 8.190 nan 0.000 0.429 443 H N 6.054 125.389 119.070 0.442 0.000 2.886 443 H HA 0.133 4.689 4.556 -0.000 0.000 0.329 443 H C -1.897 173.601 175.328 0.282 0.000 1.044 443 H CA -1.282 55.016 56.048 0.416 0.000 1.456 443 H CB 2.015 31.969 29.762 0.320 0.000 1.464 443 H HN 0.350 nan 8.280 nan 0.000 0.573 444 P HA -0.194 nan 4.420 nan 0.000 0.218 444 P C 1.525 178.975 177.300 0.250 0.000 1.146 444 P CA 1.996 65.250 63.100 0.257 0.000 0.813 444 P CB 0.129 31.886 31.700 0.096 0.000 0.778 445 S N -1.318 114.639 115.700 0.428 0.000 2.442 445 S HA -0.115 4.355 4.470 -0.000 0.000 0.236 445 S C 1.840 176.525 174.600 0.141 0.000 1.007 445 S CA 0.935 59.289 58.200 0.257 0.000 0.965 445 S CB -1.458 61.875 63.200 0.221 0.000 0.773 445 S HN 0.130 nan 8.310 nan 0.000 0.504 446 I N 0.454 121.122 120.570 0.163 0.000 2.617 446 I HA 0.076 4.246 4.170 -0.000 0.000 0.256 446 I C 1.344 177.452 176.117 -0.015 0.000 1.167 446 I CA 0.876 62.218 61.300 0.071 0.000 1.469 446 I CB -0.116 37.952 38.000 0.113 0.000 1.098 446 I HN 0.265 nan 8.210 nan 0.000 0.436 447 L N 0.274 121.479 121.223 -0.030 0.000 2.741 447 L HA 0.112 4.452 4.340 -0.000 0.000 0.237 447 L C 2.279 179.098 176.870 -0.085 0.000 1.178 447 L CA -0.018 54.733 54.840 -0.149 0.000 0.973 447 L CB -0.143 41.685 42.059 -0.385 0.000 1.255 447 L HN 0.199 nan 8.230 nan 0.000 0.498 448 S N -0.452 115.238 115.700 -0.018 0.000 2.393 448 S HA -0.295 4.175 4.470 -0.000 0.000 0.234 448 S C 1.327 175.907 174.600 -0.034 0.000 1.064 448 S CA 1.941 60.140 58.200 -0.001 0.000 1.088 448 S CB -0.384 62.818 63.200 0.003 0.000 0.939 448 S HN 0.429 nan 8.310 nan 0.000 0.448 449 D N 1.633 121.991 120.400 -0.071 0.000 2.332 449 D HA 0.295 4.935 4.640 -0.000 0.000 0.244 449 D C 0.305 176.532 176.300 -0.122 0.000 1.136 449 D CA 0.043 53.987 54.000 -0.094 0.000 0.884 449 D CB -0.507 40.222 40.800 -0.118 0.000 0.906 449 D HN 0.550 nan 8.370 nan 0.000 0.520 450 I N 1.083 121.580 120.570 -0.120 0.000 2.692 450 I HA -0.049 4.121 4.170 -0.000 0.000 0.284 450 I C 1.126 177.167 176.117 -0.127 0.000 1.159 450 I CA 0.061 61.274 61.300 -0.144 0.000 1.423 450 I CB 0.660 38.584 38.000 -0.127 0.000 1.380 450 I HN -0.352 nan 8.210 nan 0.000 0.580 451 K N 3.654 123.949 120.400 -0.174 0.000 2.126 451 K HA 0.240 4.560 4.320 -0.000 0.000 0.257 451 K C 0.600 177.116 176.600 -0.139 0.000 1.007 451 K CA -0.421 55.766 56.287 -0.168 0.000 0.928 451 K CB 0.974 33.325 32.500 -0.247 0.000 1.013 451 K HN 0.536 nan 8.250 nan 0.000 0.473 452 S N -0.019 115.624 115.700 -0.095 0.000 2.468 452 S HA 0.016 4.486 4.470 -0.000 0.000 0.226 452 S C 0.535 175.106 174.600 -0.049 0.000 1.051 452 S CA -0.100 58.066 58.200 -0.057 0.000 0.943 452 S CB 0.303 63.488 63.200 -0.025 0.000 0.810 452 S HN 0.560 nan 8.310 nan 0.000 0.509 453 V N -2.440 117.448 119.914 -0.044 0.000 3.130 453 V HA 0.705 4.825 4.120 -0.000 0.000 0.310 453 V C -1.540 174.569 176.094 0.024 0.000 1.158 453 V CA -1.692 60.628 62.300 0.034 0.000 1.029 453 V CB 0.755 32.633 31.823 0.092 0.000 1.057 453 V HN 0.347 nan 8.190 nan 0.000 0.436 454 W N 0.004 121.352 121.300 0.080 0.000 2.129 454 W HA 0.531 5.191 4.660 -0.001 0.000 0.349 454 W C 0.050 176.653 176.519 0.140 0.000 1.279 454 W CA 0.426 57.857 57.345 0.144 0.000 1.306 454 W CB 0.249 29.896 29.460 0.313 0.000 1.140 454 W HN 0.570 nan 8.180 nan 0.000 0.613 455 D N 1.330 121.966 120.400 0.393 0.000 2.210 455 D HA 0.155 4.795 4.640 -0.000 0.000 0.249 455 D C 1.405 177.939 176.300 0.391 0.000 1.078 455 D CA -0.361 53.793 54.000 0.257 0.000 0.875 455 D CB 1.164 42.040 40.800 0.126 0.000 1.175 455 D HN 0.091 nan 8.370 nan 0.000 0.440 456 R N 1.641 122.332 120.500 0.320 0.000 2.105 456 R HA -0.086 4.254 4.340 -0.000 0.000 0.239 456 R C 0.310 176.872 176.300 0.436 0.000 1.135 456 R CA 0.916 57.249 56.100 0.388 0.000 0.967 456 R CB -0.238 30.194 30.300 0.220 0.000 0.861 456 R HN 0.363 nan 8.270 nan 0.000 0.442 457 N N 1.541 120.367 118.700 0.210 0.000 2.389 457 N HA -0.019 4.721 4.740 -0.000 0.000 0.237 457 N C -0.373 175.061 175.510 -0.126 0.000 1.148 457 N CA 0.046 53.145 53.050 0.082 0.000 0.854 457 N CB -0.102 38.412 38.487 0.045 0.000 1.115 457 N HN 0.146 nan 8.380 nan 0.000 0.492 458 D N 0.789 121.000 120.400 -0.316 0.000 2.455 458 D HA 0.021 4.661 4.640 -0.000 0.000 0.241 458 D C -1.448 174.373 176.300 -0.797 0.000 1.138 458 D CA -1.386 52.265 54.000 -0.581 0.000 0.877 458 D CB 1.836 42.206 40.800 -0.717 0.000 1.187 458 D HN 0.030 nan 8.370 nan 0.000 0.451 459 P HA -0.122 nan 4.420 nan 0.000 0.221 459 P C 1.717 178.817 177.300 -0.333 0.000 1.145 459 P CA 0.669 63.587 63.100 -0.302 0.000 0.795 459 P CB 0.166 31.777 31.700 -0.149 0.000 0.775 460 M N -1.686 117.655 119.600 -0.432 0.000 2.108 460 M HA -0.156 4.323 4.480 -0.000 0.000 0.257 460 M C 1.013 177.252 176.300 -0.102 0.000 1.071 460 M CA 1.818 56.979 55.300 -0.233 0.000 1.093 460 M CB -1.324 31.158 32.600 -0.197 0.000 1.345 460 M HN 0.226 nan 8.290 nan 0.000 0.403 461 W N -2.015 119.252 121.300 -0.054 0.000 2.570 461 W HA 0.696 5.356 4.660 -0.000 0.000 0.410 461 W C 1.287 177.782 176.519 -0.040 0.000 0.889 461 W CA -0.105 57.198 57.345 -0.070 0.000 2.386 461 W CB -1.454 27.937 29.460 -0.115 0.000 1.228 461 W HN 0.046 nan 8.180 nan 0.000 0.692 462 A N 0.790 123.573 122.820 -0.063 0.000 1.908 462 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 462 A C 2.083 179.688 177.584 0.035 0.000 1.181 462 A CA 2.156 54.176 52.037 -0.028 0.000 0.627 462 A CB -0.547 18.411 19.000 -0.069 0.000 0.818 462 A HN 0.557 nan 8.150 nan 0.000 0.445 463 E N -0.833 119.386 120.200 0.032 0.000 2.106 463 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 463 E C 1.914 178.543 176.600 0.048 0.000 0.984 463 E CA 1.531 57.948 56.400 0.029 0.000 0.806 463 E CB -0.138 29.570 29.700 0.013 0.000 0.750 463 E HN 0.564 nan 8.360 nan 0.000 0.458 464 T N 0.702 115.304 114.554 0.079 0.000 2.746 464 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 464 T C 1.840 176.605 174.700 0.107 0.000 1.039 464 T CA 1.389 63.534 62.100 0.075 0.000 1.142 464 T CB -0.255 68.661 68.868 0.080 0.000 0.866 464 T HN 0.188 nan 8.240 nan 0.000 0.444 465 R N 1.040 121.632 120.500 0.152 0.000 2.081 465 R HA -0.020 4.320 4.340 -0.000 0.000 0.235 465 R C 2.640 178.985 176.300 0.074 0.000 1.131 465 R CA 1.373 57.554 56.100 0.135 0.000 0.960 465 R CB -0.496 29.912 30.300 0.179 0.000 0.856 465 R HN 0.362 nan 8.270 nan 0.000 0.436 466 A N 0.729 123.584 122.820 0.058 0.000 1.908 466 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 466 A C 2.073 179.672 177.584 0.027 0.000 1.181 466 A CA 1.792 53.848 52.037 0.031 0.000 0.627 466 A CB -0.621 18.392 19.000 0.021 0.000 0.818 466 A HN 0.487 nan 8.150 nan 0.000 0.445 467 Q N -0.223 119.602 119.800 0.042 0.000 2.167 467 Q HA 0.044 4.384 4.340 -0.000 0.000 0.202 467 Q C 1.970 178.012 176.000 0.069 0.000 0.970 467 Q CA 1.918 57.750 55.803 0.049 0.000 0.855 467 Q CB -0.591 28.177 28.738 0.051 0.000 0.911 467 Q HN 0.548 nan 8.270 nan 0.000 0.438 468 A N 0.622 123.492 122.820 0.084 0.000 1.877 468 A HA -0.227 4.092 4.320 -0.000 0.000 0.216 468 A C 1.931 179.444 177.584 -0.117 0.000 1.186 468 A CA 1.713 53.729 52.037 -0.034 0.000 0.620 468 A CB -0.668 18.324 19.000 -0.013 0.000 0.822 468 A HN 0.576 nan 8.150 nan 0.000 0.443 469 E N -0.194 119.974 120.200 -0.053 0.000 2.118 469 E HA -0.127 4.222 4.350 -0.000 0.000 0.195 469 E C 2.201 178.770 176.600 -0.050 0.000 0.992 469 E CA 0.942 57.310 56.400 -0.053 0.000 0.804 469 E CB -0.304 29.383 29.700 -0.022 0.000 0.741 469 E HN 0.629 nan 8.360 nan 0.000 0.458 470 A N 1.549 124.350 122.820 -0.032 0.000 1.969 470 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 470 A C 1.454 179.014 177.584 -0.040 0.000 1.169 470 A CA 1.340 53.361 52.037 -0.026 0.000 0.635 470 A CB -0.065 18.929 19.000 -0.010 0.000 0.810 470 A HN 0.055 nan 8.150 nan 0.000 0.445 471 D N -1.059 119.304 120.400 -0.062 0.000 2.340 471 D HA 0.232 4.872 4.640 -0.000 0.000 0.220 471 D C 1.336 177.559 176.300 -0.129 0.000 1.039 471 D CA 1.015 54.963 54.000 -0.087 0.000 0.866 471 D CB -0.030 40.711 40.800 -0.099 0.000 0.913 471 D HN 0.567 nan 8.370 nan 0.000 0.523 472 G N 1.035 109.762 108.800 -0.122 0.000 2.153 472 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.252 472 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.252 472 G C 0.470 175.271 174.900 -0.165 0.000 0.994 472 G CA 0.602 45.634 45.100 -0.114 0.000 0.698 472 G HN 0.445 nan 8.290 nan 0.000 0.521 473 V N -2.210 117.545 119.914 -0.264 0.000 2.532 473 V HA 0.811 4.930 4.120 -0.000 0.000 0.295 473 V C -0.273 175.668 176.094 -0.256 0.000 1.041 473 V CA -0.817 61.270 62.300 -0.355 0.000 0.926 473 V CB 2.223 33.576 31.823 -0.783 0.000 0.992 473 V HN 0.212 nan 8.190 nan 0.000 0.457 474 D N 3.564 123.856 120.400 -0.180 0.000 2.460 474 D HA 0.356 4.996 4.640 -0.000 0.000 0.232 474 D C 1.031 177.276 176.300 -0.092 0.000 1.079 474 D CA -0.451 53.487 54.000 -0.102 0.000 0.864 474 D CB 1.151 41.919 40.800 -0.053 0.000 1.048 474 D HN 0.709 nan 8.370 nan 0.000 0.523 475 I N -0.141 120.381 120.570 -0.080 0.000 3.176 475 I HA 0.050 4.220 4.170 -0.000 0.000 0.275 475 I C 0.379 176.469 176.117 -0.044 0.000 1.298 475 I CA 0.434 61.695 61.300 -0.064 0.000 1.445 475 I CB 0.147 38.117 38.000 -0.049 0.000 1.075 475 I HN 0.070 nan 8.210 nan 0.000 0.482 476 D N 1.315 121.709 120.400 -0.010 0.000 2.355 476 D HA 0.000 4.640 4.640 -0.000 0.000 0.218 476 D C 1.193 177.510 176.300 0.028 0.000 1.004 476 D CA 0.443 54.453 54.000 0.016 0.000 0.880 476 D CB 0.173 40.995 40.800 0.036 0.000 0.911 476 D HN 0.552 nan 8.370 nan 0.000 0.528 477 N N -0.142 118.574 118.700 0.027 0.000 3.490 477 N HA 0.092 4.831 4.740 -0.000 0.000 0.213 477 N C 0.447 176.024 175.510 0.111 0.000 1.237 477 N CA 0.088 53.185 53.050 0.078 0.000 1.142 477 N CB 0.787 39.318 38.487 0.074 0.000 1.246 477 N HN -0.020 nan 8.380 nan 0.000 0.684 478 E N 0.351 120.478 120.200 -0.121 0.000 2.794 478 E HA 0.147 4.497 4.350 -0.000 0.000 0.203 478 E C -1.075 175.497 176.600 -0.048 0.000 0.953 478 E CA -0.003 56.342 56.400 -0.092 0.000 1.284 478 E CB 1.198 30.915 29.700 0.028 0.000 1.077 478 E HN 0.287 nan 8.360 nan 0.000 0.508 479 E N 1.430 121.604 120.200 -0.042 0.000 2.415 479 E HA 0.122 4.472 4.350 -0.000 0.000 0.263 479 E C -0.498 176.107 176.600 0.009 0.000 0.995 479 E CA 0.242 56.627 56.400 -0.025 0.000 0.915 479 E CB 1.398 31.050 29.700 -0.081 0.000 0.951 479 E HN -0.142 nan 8.360 nan 0.000 0.449 480 V N 5.489 125.398 119.914 -0.008 0.000 2.350 480 V HA 0.194 4.314 4.120 -0.000 0.000 0.285 480 V C -0.278 175.817 176.094 0.001 0.000 1.014 480 V CA -0.756 61.526 62.300 -0.029 0.000 0.831 480 V CB 0.943 32.747 31.823 -0.031 0.000 1.000 480 V HN 0.554 nan 8.190 nan 0.000 0.433 481 I N 5.744 126.325 120.570 0.019 0.000 2.315 481 I HA 0.483 4.652 4.170 -0.000 0.000 0.291 481 I C 0.329 176.441 176.117 -0.009 0.000 1.006 481 I CA -0.513 60.798 61.300 0.018 0.000 1.265 481 I CB 1.439 39.478 38.000 0.066 0.000 1.387 481 I HN 0.467 nan 8.210 nan 0.000 0.475 482 R N 4.164 124.659 120.500 -0.007 0.000 2.229 482 R HA 0.322 4.662 4.340 -0.000 0.000 0.328 482 R C -0.596 175.695 176.300 -0.014 0.000 1.009 482 R CA -0.512 55.581 56.100 -0.011 0.000 0.864 482 R CB 1.174 31.471 30.300 -0.003 0.000 1.085 482 R HN 0.447 nan 8.270 nan 0.000 0.453 483 D N 2.160 122.548 120.400 -0.021 0.000 2.443 483 D HA 0.282 4.922 4.640 -0.000 0.000 0.281 483 D C 0.805 177.092 176.300 -0.023 0.000 1.210 483 D CA 0.311 54.299 54.000 -0.021 0.000 0.875 483 D CB 0.497 41.282 40.800 -0.024 0.000 1.125 483 D HN 0.754 nan 8.370 nan 0.000 0.503 484 G N 3.690 112.480 108.800 -0.017 0.000 2.556 484 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.283 484 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.283 484 G C 0.680 175.570 174.900 -0.017 0.000 1.177 484 G CA 0.343 45.434 45.100 -0.016 0.000 0.978 484 G HN 0.615 nan 8.290 nan 0.000 0.554 485 N N 1.466 120.154 118.700 -0.020 0.000 2.362 485 N HA 0.209 4.949 4.740 -0.000 0.000 0.211 485 N C 0.310 175.799 175.510 -0.035 0.000 1.170 485 N CA 0.792 53.830 53.050 -0.021 0.000 0.828 485 N CB 0.213 38.690 38.487 -0.017 0.000 1.034 485 N HN 0.787 nan 8.380 nan 0.000 0.475 486 K N -0.309 120.065 120.400 -0.043 0.000 2.318 486 K HA 0.630 4.950 4.320 -0.000 0.000 0.249 486 K C -1.238 175.319 176.600 -0.073 0.000 0.942 486 K CA -0.993 55.252 56.287 -0.069 0.000 0.808 486 K CB 2.905 35.362 32.500 -0.072 0.000 1.189 486 K HN -0.189 nan 8.250 nan 0.000 0.428 487 V N 2.233 122.081 119.914 -0.110 0.000 2.623 487 V HA 0.405 4.524 4.120 -0.000 0.000 0.304 487 V C -0.810 175.168 176.094 -0.194 0.000 1.054 487 V CA -0.918 61.315 62.300 -0.112 0.000 0.882 487 V CB 1.820 33.599 31.823 -0.074 0.000 1.002 487 V HN 0.670 nan 8.190 nan 0.000 0.424 488 R N 2.992 123.381 120.500 -0.185 0.000 2.288 488 R HA 0.669 5.009 4.340 -0.000 0.000 0.326 488 R C -1.220 174.857 176.300 -0.372 0.000 0.959 488 R CA -0.549 55.363 56.100 -0.313 0.000 0.834 488 R CB 2.104 32.272 30.300 -0.220 0.000 1.157 488 R HN 0.540 nan 8.270 nan 0.000 0.470 489 V N 4.781 124.353 119.914 -0.569 0.000 2.370 489 V HA 0.269 4.389 4.120 -0.000 0.000 0.279 489 V C -0.693 174.990 176.094 -0.686 0.000 1.029 489 V CA -0.662 61.273 62.300 -0.608 0.000 0.870 489 V CB 0.650 31.904 31.823 -0.947 0.000 0.984 489 V HN 0.569 nan 8.190 nan 0.000 0.451 490 Y N 5.012 125.083 120.300 -0.381 0.000 2.331 490 Y HA 0.693 5.243 4.550 -0.000 0.000 0.338 490 Y C 0.292 175.969 175.900 -0.373 0.000 0.992 490 Y CA -0.338 57.554 58.100 -0.346 0.000 1.121 490 Y CB 1.621 39.927 38.460 -0.256 0.000 1.184 490 Y HN 0.506 nan 8.280 nan 0.000 0.469 491 M N 1.383 120.811 119.600 -0.286 0.000 2.690 491 M HA 0.594 5.074 4.480 -0.000 0.000 0.302 491 M C -0.884 175.228 176.300 -0.313 0.000 1.234 491 M CA -0.586 54.520 55.300 -0.324 0.000 0.853 491 M CB 2.425 34.822 32.600 -0.338 0.000 1.748 491 M HN 0.493 nan 8.290 nan 0.000 0.469 492 S N 0.599 116.049 115.700 -0.415 0.000 2.526 492 S HA 0.637 5.106 4.470 -0.000 0.000 0.293 492 S C -1.040 173.368 174.600 -0.321 0.000 1.092 492 S CA -0.869 57.095 58.200 -0.394 0.000 0.980 492 S CB 1.880 64.738 63.200 -0.569 0.000 1.048 492 S HN 0.660 nan 8.310 nan 0.000 0.483 493 S N 1.026 116.602 115.700 -0.206 0.000 2.498 493 S HA 0.757 5.227 4.470 -0.000 0.000 0.317 493 S C -0.960 173.516 174.600 -0.207 0.000 1.090 493 S CA -0.646 57.384 58.200 -0.283 0.000 1.089 493 S CB 0.973 63.952 63.200 -0.367 0.000 0.997 493 S HN 0.417 nan 8.310 nan 0.000 0.470 494 V N 2.839 122.657 119.914 -0.161 0.000 2.501 494 V HA 0.612 4.731 4.120 -0.000 0.000 0.277 494 V C 0.618 176.702 176.094 -0.017 0.000 1.004 494 V CA -0.654 61.665 62.300 0.033 0.000 0.862 494 V CB 0.773 32.733 31.823 0.228 0.000 1.035 494 V HN 1.287 nan 8.190 nan 0.000 0.448 495 A N 7.008 129.856 122.820 0.046 0.000 2.622 495 A HA 0.180 4.500 4.320 -0.000 0.000 0.235 495 A C -1.007 176.534 177.584 -0.071 0.000 1.013 495 A CA 0.434 52.520 52.037 0.083 0.000 0.765 495 A CB 0.000 19.208 19.000 0.346 0.000 0.921 495 A HN 0.693 nan 8.150 nan 0.000 0.506 496 P HA 0.211 nan 4.420 nan 0.000 0.254 496 P C -0.636 176.536 177.300 -0.213 0.000 1.620 496 P CA 0.021 62.934 63.100 -0.311 0.000 1.050 496 P CB 0.201 31.502 31.700 -0.666 0.000 1.539 497 S N -0.582 115.003 115.700 -0.191 0.000 2.588 497 S HA 0.561 5.031 4.470 -0.000 0.000 0.275 497 S C -0.550 173.932 174.600 -0.196 0.000 1.130 497 S CA -0.434 57.681 58.200 -0.142 0.000 0.855 497 S CB 0.929 64.160 63.200 0.051 0.000 1.116 497 S HN -0.066 nan 8.310 nan 0.000 0.472 498 F N 1.664 121.637 119.950 0.037 0.000 2.370 498 F HA 0.257 4.784 4.527 -0.000 0.000 0.324 498 F C 2.064 177.824 175.800 -0.065 0.000 1.116 498 F CA -0.265 57.724 58.000 -0.019 0.000 1.123 498 F CB 1.009 40.097 39.000 0.147 0.000 1.238 498 F HN 0.745 nan 8.300 nan 0.000 0.536 499 S N 0.611 116.213 115.700 -0.163 0.000 2.481 499 S HA 0.101 4.571 4.470 -0.000 0.000 0.231 499 S C 0.358 174.955 174.600 -0.005 0.000 0.996 499 S CA 0.512 58.426 58.200 -0.476 0.000 0.942 499 S CB -0.478 61.886 63.200 -1.393 0.000 0.768 499 S HN 0.412 nan 8.310 nan 0.000 0.520 500 I N 1.419 122.035 120.570 0.077 0.000 2.404 500 I HA 0.324 4.494 4.170 -0.000 0.000 0.293 500 I C 0.635 176.935 176.117 0.305 0.000 0.992 500 I CA -0.528 60.867 61.300 0.158 0.000 1.149 500 I CB 2.121 40.160 38.000 0.065 0.000 1.315 500 I HN 0.116 nan 8.210 nan 0.000 0.446 501 E N 3.047 123.398 120.200 0.251 0.000 2.340 501 E HA 0.046 4.396 4.350 -0.000 0.000 0.194 501 E C -0.079 176.609 176.600 0.147 0.000 0.996 501 E CA 0.256 56.780 56.400 0.207 0.000 0.869 501 E CB 0.470 30.256 29.700 0.143 0.000 0.835 501 E HN 0.689 nan 8.360 nan 0.000 0.493 502 S N 0.114 115.940 115.700 0.209 0.000 2.580 502 S HA 0.482 4.952 4.470 -0.000 0.000 0.281 502 S C -1.193 173.562 174.600 0.257 0.000 1.129 502 S CA -1.211 57.076 58.200 0.144 0.000 0.862 502 S CB 0.525 63.686 63.200 -0.066 0.000 1.090 502 S HN 0.210 nan 8.310 nan 0.000 0.451 503 F N -1.012 118.962 119.950 0.041 0.000 2.613 503 F HA 0.901 5.427 4.527 -0.001 0.000 0.310 503 F C -0.851 174.949 175.800 0.000 0.000 1.085 503 F CA -0.796 57.211 58.000 0.012 0.000 0.945 503 F CB 1.361 40.358 39.000 -0.005 0.000 1.298 503 F HN 0.563 nan 8.300 nan 0.000 0.455 504 T N 2.754 117.352 114.554 0.072 0.000 2.823 504 T HA 0.713 5.063 4.350 -0.000 0.000 0.279 504 T C -0.404 174.336 174.700 0.067 0.000 0.998 504 T CA -0.509 61.576 62.100 -0.024 0.000 0.994 504 T CB 1.638 70.501 68.868 -0.008 0.000 0.960 504 T HN 0.948 nan 8.240 nan 0.000 0.448 505 V N 0.124 120.051 119.914 0.022 0.000 3.156 505 V HA 0.752 4.871 4.120 -0.000 0.000 0.310 505 V C -1.131 174.988 176.094 0.041 0.000 1.234 505 V CA -1.359 60.979 62.300 0.064 0.000 1.065 505 V CB 1.919 33.806 31.823 0.106 0.000 1.088 505 V HN 0.719 nan 8.190 nan 0.000 0.451 506 K N 0.310 120.737 120.400 0.045 0.000 2.203 506 K HA 0.454 4.774 4.320 -0.000 0.000 0.251 506 K C -0.537 176.097 176.600 0.057 0.000 0.944 506 K CA -0.604 55.708 56.287 0.041 0.000 0.829 506 K CB 2.199 34.716 32.500 0.028 0.000 1.125 506 K HN 0.887 nan 8.250 nan 0.000 0.430 507 E N 0.572 120.808 120.200 0.060 0.000 2.493 507 E HA -0.043 4.307 4.350 -0.000 0.000 0.255 507 E C 0.497 177.130 176.600 0.055 0.000 0.999 507 E CA 1.000 57.443 56.400 0.072 0.000 0.934 507 E CB 0.035 29.773 29.700 0.063 0.000 0.940 507 E HN 0.823 nan 8.360 nan 0.000 0.473 508 G N 4.188 113.026 108.800 0.063 0.000 2.213 508 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.226 508 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.226 508 G C -0.148 174.769 174.900 0.028 0.000 0.992 508 G CA -0.040 45.083 45.100 0.040 0.000 0.632 508 G HN 0.626 nan 8.290 nan 0.000 0.511 509 D N 1.182 121.601 120.400 0.032 0.000 2.443 509 D HA 0.351 4.991 4.640 -0.000 0.000 0.239 509 D C 0.565 176.845 176.300 -0.033 0.000 1.136 509 D CA 0.260 54.259 54.000 -0.001 0.000 0.879 509 D CB 0.937 41.739 40.800 0.004 0.000 1.195 509 D HN 0.511 nan 8.370 nan 0.000 0.443 510 E N 1.994 122.149 120.200 -0.075 0.000 2.001 510 E HA 0.255 4.605 4.350 -0.000 0.000 0.279 510 E C -1.074 175.383 176.600 -0.238 0.000 1.045 510 E CA -0.608 55.713 56.400 -0.132 0.000 0.833 510 E CB 0.502 30.140 29.700 -0.104 0.000 1.077 510 E HN 0.069 nan 8.360 nan 0.000 0.397 511 V N 4.183 123.832 119.914 -0.442 0.000 2.481 511 V HA 0.298 4.418 4.120 -0.000 0.000 0.286 511 V C 0.162 175.808 176.094 -0.747 0.000 1.042 511 V CA -0.502 61.432 62.300 -0.611 0.000 0.928 511 V CB 1.705 33.069 31.823 -0.765 0.000 0.986 511 V HN 0.668 nan 8.190 nan 0.000 0.462 512 T N 4.037 118.283 114.554 -0.514 0.000 2.809 512 T HA 0.518 4.868 4.350 -0.000 0.000 0.284 512 T C -0.488 173.909 174.700 -0.505 0.000 0.992 512 T CA -0.354 61.476 62.100 -0.449 0.000 0.957 512 T CB 1.578 70.237 68.868 -0.350 0.000 0.942 512 T HN 0.351 nan 8.240 nan 0.000 0.439 513 V N 4.928 124.554 119.914 -0.480 0.000 2.370 513 V HA 0.496 4.616 4.120 -0.000 0.000 0.283 513 V C -0.487 175.216 176.094 -0.651 0.000 1.023 513 V CA -0.768 61.146 62.300 -0.644 0.000 0.857 513 V CB 1.080 32.448 31.823 -0.757 0.000 0.985 513 V HN 0.734 nan 8.190 nan 0.000 0.443 514 I N 5.801 125.940 120.570 -0.718 0.000 2.362 514 I HA 0.505 4.675 4.170 -0.000 0.000 0.289 514 I C -0.241 175.566 176.117 -0.517 0.000 0.994 514 I CA -0.207 60.736 61.300 -0.595 0.000 1.158 514 I CB 1.831 39.421 38.000 -0.684 0.000 1.315 514 I HN 0.275 nan 8.210 nan 0.000 0.451 515 V N 4.846 124.493 119.914 -0.445 0.000 2.540 515 V HA 0.578 4.698 4.120 -0.000 0.000 0.302 515 V C -0.118 175.789 176.094 -0.313 0.000 1.035 515 V CA -0.487 61.601 62.300 -0.354 0.000 0.873 515 V CB 2.063 33.703 31.823 -0.305 0.000 0.992 515 V HN 0.720 nan 8.190 nan 0.000 0.428 516 T N 3.645 118.038 114.554 -0.269 0.000 2.792 516 T HA 0.314 4.664 4.350 -0.000 0.000 0.280 516 T C -0.205 174.376 174.700 -0.197 0.000 0.990 516 T CA -0.429 61.498 62.100 -0.288 0.000 0.960 516 T CB 1.028 69.745 68.868 -0.251 0.000 0.939 516 T HN 0.607 nan 8.240 nan 0.000 0.439 517 N N 3.605 122.195 118.700 -0.183 0.000 2.437 517 N HA 0.191 4.931 4.740 -0.000 0.000 0.243 517 N C 0.639 176.132 175.510 -0.027 0.000 1.041 517 N CA -0.414 52.599 53.050 -0.062 0.000 0.940 517 N CB 0.365 38.843 38.487 -0.016 0.000 1.133 517 N HN 0.572 nan 8.380 nan 0.000 0.506 518 L N 1.003 122.230 121.223 0.006 0.000 2.591 518 L HA 0.146 4.485 4.340 -0.000 0.000 0.228 518 L C 0.194 177.115 176.870 0.084 0.000 1.133 518 L CA 0.175 55.043 54.840 0.047 0.000 0.880 518 L CB -0.119 41.988 42.059 0.079 0.000 1.033 518 L HN 0.358 nan 8.230 nan 0.000 0.450 519 D N 1.133 121.598 120.400 0.109 0.000 2.424 519 D HA 0.008 4.648 4.640 -0.000 0.000 0.244 519 D C 0.661 177.017 176.300 0.093 0.000 1.134 519 D CA 0.414 54.487 54.000 0.122 0.000 0.881 519 D CB 1.220 42.123 40.800 0.172 0.000 1.191 519 D HN 0.252 nan 8.370 nan 0.000 0.445 520 E N 0.945 121.194 120.200 0.082 0.000 2.498 520 E HA 0.159 4.509 4.350 -0.000 0.000 0.203 520 E C 0.536 177.172 176.600 0.061 0.000 1.013 520 E CA -0.273 56.171 56.400 0.073 0.000 0.927 520 E CB 0.949 30.688 29.700 0.066 0.000 1.012 520 E HN 0.422 nan 8.360 nan 0.000 0.482 521 I N 1.910 122.514 120.570 0.057 0.000 2.519 521 I HA 0.045 4.214 4.170 -0.000 0.000 0.287 521 I C 0.009 176.146 176.117 0.033 0.000 1.047 521 I CA -0.521 60.805 61.300 0.043 0.000 1.381 521 I CB 0.764 38.790 38.000 0.044 0.000 1.417 521 I HN -0.130 nan 8.210 nan 0.000 0.540 522 D N 5.951 126.366 120.400 0.025 0.000 2.488 522 D HA -0.055 4.585 4.640 -0.000 0.000 0.238 522 D C 0.619 176.926 176.300 0.013 0.000 1.138 522 D CA 0.987 54.998 54.000 0.018 0.000 0.873 522 D CB 0.639 41.445 40.800 0.010 0.000 1.183 522 D HN 0.699 nan 8.370 nan 0.000 0.458 523 D N 1.249 121.656 120.400 0.011 0.000 2.911 523 D HA -0.223 4.417 4.640 -0.000 0.000 0.199 523 D C 0.023 176.316 176.300 -0.011 0.000 1.041 523 D CA 0.372 54.377 54.000 0.010 0.000 1.013 523 D CB -1.014 39.796 40.800 0.017 0.000 1.093 523 D HN 0.328 nan 8.370 nan 0.000 0.431 524 L N 2.199 123.404 121.223 -0.030 0.000 2.399 524 L HA 0.329 4.669 4.340 -0.000 0.000 0.257 524 L C -0.104 176.636 176.870 -0.217 0.000 1.236 524 L CA 0.366 55.149 54.840 -0.096 0.000 1.144 524 L CB -0.189 41.843 42.059 -0.046 0.000 1.379 524 L HN -0.080 nan 8.230 nan 0.000 0.414 525 T N 2.930 117.338 114.554 -0.243 0.000 2.909 525 T HA 0.433 4.783 4.350 -0.000 0.000 0.289 525 T C -0.249 174.194 174.700 -0.429 0.000 1.005 525 T CA -0.289 61.582 62.100 -0.381 0.000 1.084 525 T CB 0.738 69.230 68.868 -0.628 0.000 0.975 525 T HN 0.351 nan 8.240 nan 0.000 0.509 526 H N -0.375 118.612 119.070 -0.139 0.000 2.834 526 H HA 0.703 5.259 4.556 -0.001 0.000 0.369 526 H C 0.248 175.633 175.328 0.096 0.000 1.174 526 H CA -0.640 55.437 56.048 0.049 0.000 1.165 526 H CB 2.068 31.831 29.762 0.001 0.000 1.820 526 H HN 0.845 nan 8.280 nan 0.000 0.558 527 G N -0.149 108.945 108.800 0.490 0.000 2.680 527 G HA2 0.489 4.449 3.960 -0.000 0.000 0.290 527 G HA3 0.489 4.449 3.960 -0.000 0.000 0.290 527 G C -2.015 173.206 174.900 0.536 0.000 1.355 527 G CA -0.565 44.846 45.100 0.518 0.000 0.903 527 G HN 0.365 nan 8.290 nan 0.000 0.474 528 F N 1.051 121.146 119.950 0.242 0.000 2.612 528 F HA 0.608 5.134 4.527 -0.000 0.000 0.332 528 F C -0.511 175.283 175.800 -0.009 0.000 1.167 528 F CA -0.387 57.690 58.000 0.128 0.000 0.970 528 F CB 2.103 41.114 39.000 0.018 0.000 1.234 528 F HN 0.414 nan 8.300 nan 0.000 0.453 529 T N 6.848 121.074 114.554 -0.546 0.000 2.824 529 T HA 0.413 4.763 4.350 -0.000 0.000 0.282 529 T C -0.824 173.529 174.700 -0.577 0.000 0.993 529 T CA -0.454 61.341 62.100 -0.509 0.000 0.967 529 T CB 1.452 69.856 68.868 -0.773 0.000 0.960 529 T HN 0.567 nan 8.240 nan 0.000 0.441 530 M N 3.464 122.887 119.600 -0.296 0.000 2.061 530 M HA 0.530 5.010 4.480 -0.000 0.000 0.346 530 M C 0.536 176.828 176.300 -0.014 0.000 1.112 530 M CA -0.618 54.563 55.300 -0.197 0.000 1.021 530 M CB 0.241 32.693 32.600 -0.248 0.000 1.530 530 M HN 0.685 nan 8.290 nan 0.000 0.437 531 G N 4.128 113.006 108.800 0.130 0.000 2.225 531 G HA2 0.115 4.074 3.960 -0.000 0.000 0.245 531 G HA3 0.115 4.074 3.960 -0.000 0.000 0.245 531 G C 0.382 175.444 174.900 0.270 0.000 1.249 531 G CA -0.148 45.100 45.100 0.248 0.000 0.919 531 G HN 0.991 nan 8.290 nan 0.000 0.486 532 N N 0.219 119.048 118.700 0.215 0.000 2.863 532 N HA -0.212 4.528 4.740 -0.000 0.000 0.245 532 N C 0.351 175.928 175.510 0.111 0.000 1.001 532 N CA 1.558 54.722 53.050 0.191 0.000 0.901 532 N CB -1.222 37.451 38.487 0.311 0.000 1.124 532 N HN 0.667 nan 8.380 nan 0.000 0.582 533 Y N -0.097 120.103 120.300 -0.165 0.000 2.458 533 Y HA 0.400 4.949 4.550 -0.000 0.000 0.256 533 Y C 1.660 177.436 175.900 -0.207 0.000 1.159 533 Y CA 0.423 58.344 58.100 -0.298 0.000 1.261 533 Y CB 0.239 38.361 38.460 -0.564 0.000 1.119 533 Y HN 0.209 nan 8.280 nan 0.000 0.524 534 G N 1.036 109.825 108.800 -0.019 0.000 2.295 534 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.287 534 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.287 534 G C -0.592 174.314 174.900 0.011 0.000 1.055 534 G CA 0.486 45.580 45.100 -0.010 0.000 0.922 534 G HN 0.137 nan 8.290 nan 0.000 0.503 535 V N -0.453 119.470 119.914 0.015 0.000 2.577 535 V HA 0.899 5.019 4.120 -0.000 0.000 0.303 535 V C 0.190 176.319 176.094 0.059 0.000 1.042 535 V CA -0.158 62.173 62.300 0.052 0.000 0.872 535 V CB 1.809 33.659 31.823 0.045 0.000 0.998 535 V HN 1.621 nan 8.190 nan 0.000 0.423 536 A N 6.673 129.557 122.820 0.105 0.000 2.491 536 A HA 0.946 5.266 4.320 -0.000 0.000 0.293 536 A C -0.903 176.797 177.584 0.194 0.000 1.047 536 A CA -0.537 51.571 52.037 0.119 0.000 0.735 536 A CB 1.832 20.880 19.000 0.080 0.000 1.281 536 A HN 1.145 nan 8.150 nan 0.000 0.398 537 M N 0.900 120.650 119.600 0.251 0.000 2.569 537 M HA 0.720 5.200 4.480 -0.000 0.000 0.279 537 M C -0.724 175.743 176.300 0.279 0.000 1.253 537 M CA -0.524 54.925 55.300 0.247 0.000 0.867 537 M CB 1.907 34.602 32.600 0.159 0.000 1.727 537 M HN 0.691 nan 8.290 nan 0.000 0.467 538 E N 1.665 121.972 120.200 0.178 0.000 2.266 538 E HA 0.562 4.912 4.350 -0.000 0.000 0.277 538 E C -1.664 174.842 176.600 -0.158 0.000 1.018 538 E CA -0.632 55.703 56.400 -0.109 0.000 0.840 538 E CB 1.202 30.749 29.700 -0.255 0.000 1.082 538 E HN 0.719 nan 8.360 nan 0.000 0.395 539 I N 4.008 124.432 120.570 -0.244 0.000 2.641 539 I HA 0.275 4.445 4.170 -0.000 0.000 0.275 539 I C 0.424 176.399 176.117 -0.237 0.000 1.129 539 I CA -0.384 60.787 61.300 -0.216 0.000 1.094 539 I CB 1.547 39.485 38.000 -0.104 0.000 1.232 539 I HN 0.590 nan 8.210 nan 0.000 0.503 540 G N 4.634 113.289 108.800 -0.242 0.000 2.684 540 G HA2 0.402 4.361 3.960 -0.000 0.000 0.255 540 G HA3 0.402 4.361 3.960 -0.000 0.000 0.255 540 G C -2.663 172.232 174.900 -0.009 0.000 1.219 540 G CA -1.238 43.806 45.100 -0.094 0.000 0.901 540 G HN 0.241 nan 8.290 nan 0.000 0.548 541 P HA 0.065 nan 4.420 nan 0.000 0.260 541 P C -0.084 177.324 177.300 0.179 0.000 1.185 541 P CA 0.412 63.577 63.100 0.109 0.000 0.763 541 P CB 0.646 32.409 31.700 0.105 0.000 0.776 542 Q N -0.878 118.972 119.800 0.083 0.000 2.460 542 Q HA -0.221 4.119 4.340 -0.000 0.000 0.248 542 Q C -0.040 175.930 176.000 -0.049 0.000 0.847 542 Q CA 1.230 57.084 55.803 0.086 0.000 1.214 542 Q CB -1.950 26.919 28.738 0.219 0.000 1.523 542 Q HN 0.598 nan 8.270 nan 0.000 0.602 543 M N 0.216 119.620 119.600 -0.327 0.000 2.409 543 M HA 0.370 4.850 4.480 -0.000 0.000 0.329 543 M C -0.571 175.062 176.300 -1.112 0.000 1.180 543 M CA 0.019 54.740 55.300 -0.965 0.000 1.053 543 M CB 1.524 33.547 32.600 -0.961 0.000 1.586 543 M HN -0.017 nan 8.290 nan 0.000 0.461 544 T N 2.634 116.058 114.554 -1.885 0.000 2.812 544 T HA 0.560 4.910 4.350 -0.000 0.000 0.282 544 T C -1.184 173.022 174.700 -0.822 0.000 0.990 544 T CA -0.544 60.805 62.100 -1.252 0.000 0.960 544 T CB 1.447 69.447 68.868 -1.448 0.000 0.948 544 T HN 0.704 nan 8.240 nan 0.000 0.438 545 S N 1.780 117.192 115.700 -0.481 0.000 2.569 545 S HA 0.877 5.347 4.470 -0.000 0.000 0.280 545 S C -0.738 173.704 174.600 -0.263 0.000 1.111 545 S CA -0.965 57.064 58.200 -0.285 0.000 0.887 545 S CB 1.902 64.970 63.200 -0.220 0.000 1.095 545 S HN 0.864 nan 8.310 nan 0.000 0.476 546 S N 0.012 115.597 115.700 -0.192 0.000 2.556 546 S HA 0.870 5.339 4.470 -0.000 0.000 0.271 546 S C -1.328 173.183 174.600 -0.148 0.000 1.135 546 S CA -0.831 57.233 58.200 -0.226 0.000 0.858 546 S CB 1.664 64.724 63.200 -0.233 0.000 1.114 546 S HN 0.836 nan 8.310 nan 0.000 0.468 547 V N 0.979 120.801 119.914 -0.153 0.000 3.012 547 V HA 0.784 4.904 4.120 -0.000 0.000 0.307 547 V C -1.261 174.803 176.094 -0.051 0.000 1.166 547 V CA -0.079 62.195 62.300 -0.043 0.000 0.974 547 V CB 2.333 34.194 31.823 0.064 0.000 1.040 547 V HN 1.191 nan 8.190 nan 0.000 0.428 548 T N 6.667 121.209 114.554 -0.019 0.000 2.856 548 T HA 0.873 5.223 4.350 -0.000 0.000 0.283 548 T C -1.019 173.717 174.700 0.060 0.000 1.008 548 T CA -0.173 61.862 62.100 -0.108 0.000 0.997 548 T CB 1.281 70.072 68.868 -0.128 0.000 0.992 548 T HN 0.859 nan 8.240 nan 0.000 0.454 549 F N -0.248 119.705 119.950 0.006 0.000 2.686 549 F HA 0.740 5.267 4.527 -0.000 0.000 0.311 549 F C -1.022 174.804 175.800 0.045 0.000 1.128 549 F CA -1.734 56.289 58.000 0.038 0.000 0.946 549 F CB 0.748 39.817 39.000 0.115 0.000 1.336 549 F HN 0.403 nan 8.300 nan 0.000 0.457 550 V N 0.198 120.279 119.914 0.278 0.000 2.350 550 V HA 0.830 4.950 4.120 -0.000 0.000 0.276 550 V C 0.309 176.588 176.094 0.308 0.000 1.028 550 V CA -0.469 61.931 62.300 0.167 0.000 0.860 550 V CB 0.472 32.334 31.823 0.065 0.000 0.990 550 V HN 1.415 nan 8.190 nan 0.000 0.453 551 A N 4.173 127.202 122.820 0.349 0.000 3.052 551 A HA 0.590 4.910 4.320 -0.000 0.000 0.266 551 A C 1.339 179.041 177.584 0.195 0.000 1.855 551 A CA 0.355 52.652 52.037 0.433 0.000 1.473 551 A CB -0.697 18.514 19.000 0.352 0.000 1.038 551 A HN 1.801 nan 8.150 nan 0.000 0.619 552 A N 1.656 124.514 122.820 0.063 0.000 2.412 552 A HA 0.332 4.652 4.320 -0.000 0.000 0.253 552 A C 0.264 177.837 177.584 -0.017 0.000 1.334 552 A CA -0.199 51.838 52.037 0.001 0.000 0.929 552 A CB -0.284 18.690 19.000 -0.043 0.000 0.983 552 A HN 0.531 nan 8.150 nan 0.000 0.508 553 N N 0.696 119.423 118.700 0.046 0.000 2.655 553 N HA 0.277 5.016 4.740 -0.000 0.000 0.277 553 N C -3.328 172.352 175.510 0.284 0.000 1.177 553 N CA -0.807 52.307 53.050 0.107 0.000 0.882 553 N CB 2.461 40.957 38.487 0.016 0.000 1.481 553 N HN 0.067 nan 8.380 nan 0.000 0.547 554 P HA 0.437 nan 4.420 nan 0.000 0.272 554 P C 0.356 177.834 177.300 0.297 0.000 1.240 554 P CA 0.445 63.688 63.100 0.238 0.000 0.791 554 P CB 0.906 32.678 31.700 0.121 0.000 0.978 555 G N -0.834 108.064 108.800 0.162 0.000 2.408 555 G HA2 0.007 3.967 3.960 -0.000 0.000 0.682 555 G HA3 0.007 3.967 3.960 -0.000 0.000 0.682 555 G C -1.299 173.463 174.900 -0.230 0.000 1.303 555 G CA -0.657 44.401 45.100 -0.070 0.000 0.966 555 G HN 0.432 nan 8.290 nan 0.000 0.560 556 V N 0.534 120.192 119.914 -0.428 0.000 2.546 556 V HA 0.651 4.771 4.120 -0.000 0.000 0.284 556 V C -0.380 175.280 176.094 -0.724 0.000 1.050 556 V CA 0.033 62.070 62.300 -0.439 0.000 0.981 556 V CB 0.758 32.381 31.823 -0.332 0.000 0.990 556 V HN 0.671 nan 8.190 nan 0.000 0.474 557 Y N 1.689 121.828 120.300 -0.268 0.000 2.470 557 Y HA 0.512 5.062 4.550 -0.000 0.000 0.341 557 Y C -0.702 175.028 175.900 -0.284 0.000 1.021 557 Y CA -0.803 57.192 58.100 -0.175 0.000 1.025 557 Y CB 1.625 39.942 38.460 -0.238 0.000 1.266 557 Y HN 0.607 nan 8.280 nan 0.000 0.448 558 W N 3.438 124.718 121.300 -0.033 0.000 2.496 558 W HA 0.537 5.197 4.660 -0.000 0.000 0.327 558 W C -0.993 175.474 176.519 -0.087 0.000 1.086 558 W CA -0.837 56.414 57.345 -0.157 0.000 1.222 558 W CB 0.852 30.226 29.460 -0.145 0.000 1.304 558 W HN 0.390 nan 8.180 nan 0.000 0.547 559 Y N 2.022 122.367 120.300 0.074 0.000 2.364 559 Y HA 0.713 5.263 4.550 -0.000 0.000 0.340 559 Y C -0.746 175.108 175.900 -0.076 0.000 0.975 559 Y CA -2.338 55.586 58.100 -0.293 0.000 1.089 559 Y CB 0.337 38.321 38.460 -0.793 0.000 1.192 559 Y HN 0.487 nan 8.280 nan 0.000 0.454 560 Y N 0.697 120.975 120.300 -0.036 0.000 2.669 560 Y HA 0.689 5.238 4.550 -0.000 0.000 0.335 560 Y C -0.958 175.130 175.900 0.313 0.000 1.116 560 Y CA -2.683 55.518 58.100 0.170 0.000 1.081 560 Y CB 0.628 39.102 38.460 0.023 0.000 1.297 560 Y HN 0.959 nan 8.280 nan 0.000 0.484 561 C N 3.482 123.071 119.300 0.482 0.000 2.415 561 C HA 0.289 4.749 4.460 -0.000 0.000 0.369 561 C C 0.956 176.225 174.990 0.464 0.000 1.279 561 C CA -0.094 59.184 59.018 0.432 0.000 1.886 561 C CB -0.151 27.783 27.740 0.323 0.000 2.468 561 C HN 0.962 nan 8.230 nan 0.000 0.553 562 Q N 4.466 124.509 119.800 0.405 0.000 2.247 562 Q HA 0.090 4.430 4.340 -0.000 0.000 0.204 562 Q C -0.137 176.046 176.000 0.305 0.000 0.872 562 Q CA 0.168 56.193 55.803 0.370 0.000 0.951 562 Q CB 0.234 29.050 28.738 0.129 0.000 1.099 562 Q HN 0.881 nan 8.270 nan 0.000 0.501 563 W N 1.255 122.730 121.300 0.292 0.000 2.322 563 W HA 0.335 4.994 4.660 -0.001 0.000 0.321 563 W C -0.926 175.544 176.519 -0.082 0.000 0.991 563 W CA -1.621 55.796 57.345 0.119 0.000 1.448 563 W CB 0.467 29.984 29.460 0.095 0.000 1.239 563 W HN -0.026 nan 8.180 nan 0.000 0.399 564 F N 3.913 123.603 119.950 -0.433 0.000 2.512 564 F HA -0.187 4.340 4.527 -0.001 0.000 0.406 564 F C 1.399 177.052 175.800 -0.245 0.000 0.990 564 F CA 1.128 58.601 58.000 -0.879 0.000 1.137 564 F CB 0.485 39.188 39.000 -0.496 0.000 0.960 564 F HN 0.377 nan 8.300 nan 0.000 0.533 565 C N 3.616 122.958 119.300 0.071 0.000 3.882 565 C HA 0.418 4.878 4.460 -0.000 0.000 0.340 565 C C 0.026 175.196 174.990 0.301 0.000 1.563 565 C CA -0.240 58.879 59.018 0.167 0.000 1.870 565 C CB -0.850 26.931 27.740 0.068 0.000 2.795 565 C HN 0.838 nan 8.230 nan 0.000 0.692 566 H N -0.869 118.338 119.070 0.227 0.000 2.950 566 H HA 0.442 4.998 4.556 -0.000 0.000 0.307 566 H C 0.572 176.057 175.328 0.261 0.000 1.403 566 H CA 0.420 56.594 56.048 0.210 0.000 1.145 566 H CB 1.625 31.486 29.762 0.166 0.000 1.844 566 H HN -0.038 nan 8.280 nan 0.000 0.515 567 A N 1.874 124.745 122.820 0.085 0.000 2.070 567 A HA -0.004 4.316 4.320 -0.000 0.000 0.220 567 A C 1.644 179.434 177.584 0.343 0.000 1.159 567 A CA 1.211 53.387 52.037 0.231 0.000 0.656 567 A CB -0.335 18.689 19.000 0.040 0.000 0.800 567 A HN 0.431 nan 8.150 nan 0.000 0.453 568 L N -0.913 120.656 121.223 0.577 0.000 2.848 568 L HA 0.127 4.467 4.340 -0.000 0.000 0.240 568 L C 1.636 178.557 176.870 0.085 0.000 1.232 568 L CA -0.021 54.957 54.840 0.231 0.000 1.031 568 L CB -0.385 41.743 42.059 0.114 0.000 1.338 568 L HN 0.573 nan 8.230 nan 0.000 0.509 569 H N 0.885 119.918 119.070 -0.063 0.000 2.352 569 H HA -0.199 4.357 4.556 -0.001 0.000 0.299 569 H C 2.168 177.361 175.328 -0.225 0.000 1.097 569 H CA 1.920 57.816 56.048 -0.252 0.000 1.311 569 H CB 0.310 29.588 29.762 -0.806 0.000 1.377 569 H HN 0.131 nan 8.280 nan 0.000 0.504 570 M N 0.772 120.153 119.600 -0.365 0.000 2.202 570 M HA -0.108 4.372 4.480 -0.000 0.000 0.262 570 M C 1.262 177.406 176.300 -0.260 0.000 1.063 570 M CA 1.327 56.415 55.300 -0.353 0.000 1.097 570 M CB -0.601 31.889 32.600 -0.183 0.000 1.382 570 M HN 0.561 nan 8.290 nan 0.000 0.413 571 E N -0.590 119.515 120.200 -0.159 0.000 2.465 571 E HA 0.062 4.412 4.350 -0.000 0.000 0.191 571 E C 0.741 177.321 176.600 -0.033 0.000 1.053 571 E CA -0.065 56.279 56.400 -0.094 0.000 0.869 571 E CB -0.606 29.066 29.700 -0.048 0.000 0.977 571 E HN 0.456 nan 8.360 nan 0.000 0.483 572 M N 2.794 122.354 119.600 -0.066 0.000 3.237 572 M HA 0.095 4.575 4.480 -0.000 0.000 0.266 572 M C -0.536 175.921 176.300 0.260 0.000 1.456 572 M CA 0.024 55.325 55.300 0.002 0.000 1.593 572 M CB -0.266 32.256 32.600 -0.130 0.000 1.129 572 M HN -0.024 nan 8.290 nan 0.000 0.547 573 R N 1.387 122.083 120.500 0.328 0.000 2.710 573 R HA 0.906 5.246 4.340 -0.000 0.000 0.270 573 R C -1.076 175.353 176.300 0.216 0.000 1.021 573 R CA -1.136 55.184 56.100 0.367 0.000 0.889 573 R CB 1.204 31.652 30.300 0.246 0.000 1.243 573 R HN 0.398 nan 8.270 nan 0.000 0.464 574 G N 0.834 109.377 108.800 -0.428 0.000 2.766 574 G HA2 0.656 4.615 3.960 -0.000 0.000 0.288 574 G HA3 0.656 4.615 3.960 -0.000 0.000 0.288 574 G C -1.433 172.618 174.900 -1.415 0.000 1.408 574 G CA -1.257 43.368 45.100 -0.792 0.000 0.852 574 G HN 0.442 nan 8.290 nan 0.000 0.487 575 R N -0.541 119.355 120.500 -1.006 0.000 2.637 575 R HA 0.613 4.952 4.340 -0.000 0.000 0.291 575 R C -0.414 175.608 176.300 -0.464 0.000 0.963 575 R CA -0.640 54.887 56.100 -0.955 0.000 0.901 575 R CB 2.480 32.113 30.300 -1.113 0.000 1.160 575 R HN 0.501 nan 8.270 nan 0.000 0.457 576 M N 4.284 123.597 119.600 -0.477 0.000 2.114 576 M HA 0.386 4.866 4.480 -0.000 0.000 0.332 576 M C -1.611 174.400 176.300 -0.483 0.000 1.014 576 M CA -0.574 54.261 55.300 -0.775 0.000 0.956 576 M CB 0.848 33.048 32.600 -0.667 0.000 1.551 576 M HN 0.517 nan 8.290 nan 0.000 0.427 577 L N 6.247 127.200 121.223 -0.451 0.000 2.265 577 L HA 0.499 4.838 4.340 -0.000 0.000 0.289 577 L C -0.853 175.937 176.870 -0.133 0.000 1.033 577 L CA -0.949 53.749 54.840 -0.236 0.000 0.814 577 L CB 1.290 43.231 42.059 -0.196 0.000 1.203 577 L HN 0.449 nan 8.230 nan 0.000 0.423 578 V N 3.172 123.073 119.914 -0.022 0.000 2.294 578 V HA 0.198 4.318 4.120 -0.000 0.000 0.272 578 V C 0.274 176.397 176.094 0.048 0.000 1.027 578 V CA -0.739 61.590 62.300 0.048 0.000 0.823 578 V CB 0.908 32.826 31.823 0.158 0.000 1.030 578 V HN 0.715 nan 8.190 nan 0.000 0.457 579 E N 6.931 127.146 120.200 0.024 0.000 2.373 579 E HA 0.200 4.550 4.350 -0.000 0.000 0.267 579 E C -2.205 174.415 176.600 0.035 0.000 1.032 579 E CA -1.514 54.898 56.400 0.020 0.000 0.889 579 E CB 0.609 30.314 29.700 0.009 0.000 0.984 579 E HN 0.450 nan 8.360 nan 0.000 0.425 580 P HA -0.098 nan 4.420 nan 0.000 0.268 580 P C -0.279 177.037 177.300 0.028 0.000 1.208 580 P CA 0.166 63.285 63.100 0.033 0.000 0.777 580 P CB 0.811 32.525 31.700 0.024 0.000 0.875 861 R N 0.234 120.756 120.500 0.037 0.000 2.081 861 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 861 R C 1.461 177.814 176.300 0.087 0.000 1.131 861 R CA 2.255 58.386 56.100 0.051 0.000 0.960 861 R CB -0.303 30.014 30.300 0.029 0.000 0.856 861 R HN 0.158 nan 8.270 nan 0.000 0.436 862 T N 0.728 115.330 114.554 0.080 0.000 2.777 862 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 862 T C 1.534 176.301 174.700 0.112 0.000 1.040 862 T CA 1.305 63.476 62.100 0.120 0.000 1.141 862 T CB -0.016 68.915 68.868 0.104 0.000 0.868 862 T HN 0.310 nan 8.240 nan 0.000 0.444 863 K N 0.993 121.428 120.400 0.059 0.000 2.063 863 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 863 K C 2.380 178.990 176.600 0.017 0.000 1.048 863 K CA 1.164 57.464 56.287 0.022 0.000 0.928 863 K CB -0.066 32.442 32.500 0.013 0.000 0.713 863 K HN 0.292 nan 8.250 nan 0.000 0.442 864 K N -0.014 120.413 120.400 0.045 0.000 2.103 864 K HA -0.114 4.205 4.320 -0.000 0.000 0.204 864 K C 2.013 178.636 176.600 0.038 0.000 1.052 864 K CA 1.060 57.366 56.287 0.033 0.000 0.945 864 K CB -0.190 32.336 32.500 0.045 0.000 0.722 864 K HN 0.072 nan 8.250 nan 0.000 0.443 865 F N 2.141 122.078 119.950 -0.023 0.000 2.075 865 F HA -0.165 4.362 4.527 -0.000 0.000 0.297 865 F C 1.762 177.539 175.800 -0.038 0.000 1.113 865 F CA 1.338 59.327 58.000 -0.019 0.000 1.218 865 F CB -0.326 38.672 39.000 -0.004 0.000 0.984 865 F HN -0.138 nan 8.300 nan 0.000 0.472 866 L N 0.137 121.238 121.223 -0.203 0.000 2.083 866 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 866 L C 2.834 179.541 176.870 -0.272 0.000 1.083 866 L CA 1.153 55.803 54.840 -0.317 0.000 0.752 866 L CB -1.255 40.695 42.059 -0.181 0.000 0.899 866 L HN 0.298 nan 8.230 nan 0.000 0.433 867 A N 0.140 122.857 122.820 -0.171 0.000 1.908 867 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 867 A C 2.447 179.940 177.584 -0.152 0.000 1.181 867 A CA 1.718 53.679 52.037 -0.128 0.000 0.627 867 A CB -0.678 18.276 19.000 -0.076 0.000 0.818 867 A HN 0.405 nan 8.150 nan 0.000 0.445 868 A N -0.688 122.016 122.820 -0.194 0.000 2.172 868 A HA -0.048 4.271 4.320 -0.000 0.000 0.216 868 A C 1.258 178.706 177.584 -0.227 0.000 1.154 868 A CA 1.433 53.361 52.037 -0.181 0.000 0.701 868 A CB -0.495 18.407 19.000 -0.163 0.000 0.789 868 A HN 0.603 nan 8.150 nan 0.000 0.465 869 N N -1.165 117.349 118.700 -0.310 0.000 2.282 869 N HA 0.365 5.105 4.740 -0.000 0.000 0.240 869 N C 0.692 176.101 175.510 -0.168 0.000 1.182 869 N CA 0.653 53.543 53.050 -0.267 0.000 0.874 869 N CB 0.770 39.011 38.487 -0.410 0.000 1.126 869 N HN 0.402 nan 8.380 nan 0.000 0.516 870 G N 0.790 109.507 108.800 -0.138 0.000 2.249 870 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.273 870 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.273 870 G C -0.208 174.638 174.900 -0.090 0.000 1.036 870 G CA 0.430 45.473 45.100 -0.095 0.000 0.824 870 G HN 0.309 nan 8.290 nan 0.000 0.504 871 K N -1.533 118.797 120.400 -0.118 0.000 2.385 871 K HA 0.597 4.917 4.320 -0.000 0.000 0.248 871 K C 0.934 177.469 176.600 -0.108 0.000 0.955 871 K CA -0.939 55.285 56.287 -0.105 0.000 0.816 871 K CB 1.923 34.352 32.500 -0.117 0.000 1.250 871 K HN 0.066 nan 8.250 nan 0.000 0.434 872 R N 1.733 122.176 120.500 -0.094 0.000 2.167 872 R HA 0.206 4.546 4.340 -0.000 0.000 0.201 872 R C 0.689 176.926 176.300 -0.104 0.000 1.024 872 R CA 0.604 56.652 56.100 -0.087 0.000 1.053 872 R CB 0.337 30.594 30.300 -0.072 0.000 0.987 872 R HN 0.695 nan 8.270 nan 0.000 0.493 873 I N 0.000 120.492 120.570 -0.130 0.000 2.984 873 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 873 I CA 0.000 61.208 61.300 -0.153 0.000 1.566 873 I CB 0.000 37.843 38.000 -0.262 0.000 1.214 873 I HN 0.000 nan 8.210 nan 0.000 0.494