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 2ww2_1_C DATA FIRST_RESID 22 DATA SEQUENCE SKKTVEFVDY VNPLMGTEST FAFSHGNTYP AVAVPWGMNF WSPQTGENGS DATA SEQUENCE GWMYTYTDSL MRGFRQTHQP SPWINDYGTF SIMPLAGELK MSHKERLVPF DATA SEQUENCE SHQQEKATPY NYSVTFNNGL QTSLSATSRG AVFEVSFPEK EDQYVVVDAY DATA SEQUENCE NGGSSITIEP EKRLVKGATR YNNGGVPDNF ANYFMMEFSH PVIEYGTYNG DATA SEQUENCE DTLLHHQTDV AADYTCAYLK FDVPAGEKLT IRTASSFISP EQAAINFNRE DATA SEQUENCE VADADVQLIS GKAREQWNNY LGRVEAEGGT DEQLRTFYSC LYRTLLFPRE DATA SEQUENCE FYEFDSQGNP VYYSPYDGNV HDGYMYTDNG FWDTFRAVHP LFTLLYPEVS DATA SEQUENCE ERVTQSIINA YNESGFMPEW ASPGHRGCMI GNNSVSLLVD AWMKGIQTVD DATA SEQUENCE AEKALEAMIH QTQARHAEIA SVGRDGFEYY DKLGYVPYPE VPEATAKTLE DATA SEQUENCE YAYADWCIAR FAESLGKQDI ADQYYQKAPN YRNLYYPEHG FMWTKDAKGN DATA SEQUENCE WRDRFDATEW GGPFTEGSSW HWTWSVFHDP EGLSELMGGH EPMIARLDSM DATA SEQUENCE FVAPNTYNYG TYGFVIHEIA EMVALNMGQY AHGNQPVQHA IYLYDYIGQP DATA SEQUENCE WKTQYHLRNV MDKLYNSGSK GYCGDEDNGQ TSAWYVFSAM GFYPVCPGMP DATA SEQUENCE EYAIGSPLFK KVTLHLPEGK NFVVSAADNA ADRPYIRKAL LNGQEFTRNY DATA SEQUENCE LTHDELKQGG ELNLSMDSVP NQQRGTQPAD FPYSYSK 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 22 S HA 0.000 nan 4.470 nan 0.000 0.327 22 S C 0.000 174.544 174.600 -0.093 0.000 1.055 22 S CA 0.000 58.159 58.200 -0.068 0.000 1.107 22 S CB 0.000 63.161 63.200 -0.065 0.000 0.593 23 K N 2.432 122.781 120.400 -0.085 0.000 2.412 23 K HA 0.247 4.567 4.320 -0.000 0.000 0.281 23 K C -0.896 175.638 176.600 -0.110 0.000 1.027 23 K CA 0.360 56.587 56.287 -0.100 0.000 0.989 23 K CB 0.379 32.830 32.500 -0.081 0.000 0.935 23 K HN 0.211 nan 8.250 nan 0.000 0.475 24 K N 2.461 122.775 120.400 -0.143 0.000 2.375 24 K HA 0.185 4.505 4.320 -0.000 0.000 0.249 24 K C 0.623 177.140 176.600 -0.138 0.000 0.942 24 K CA -0.833 55.367 56.287 -0.145 0.000 0.806 24 K CB 1.910 34.287 32.500 -0.206 0.000 1.227 24 K HN 0.541 nan 8.250 nan 0.000 0.430 25 T N 0.063 114.552 114.554 -0.109 0.000 2.720 25 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 25 T C 0.706 175.327 174.700 -0.132 0.000 1.037 25 T CA 0.980 63.020 62.100 -0.100 0.000 1.144 25 T CB 0.106 68.933 68.868 -0.069 0.000 0.864 25 T HN 0.230 nan 8.240 nan 0.000 0.444 26 V N 2.740 122.559 119.914 -0.158 0.000 2.350 26 V HA 0.317 4.437 4.120 -0.000 0.000 0.285 26 V C -0.147 175.756 176.094 -0.319 0.000 1.014 26 V CA -0.936 61.216 62.300 -0.246 0.000 0.831 26 V CB 1.657 33.331 31.823 -0.248 0.000 1.000 26 V HN 0.229 nan 8.190 nan 0.000 0.433 27 E N 2.700 122.696 120.200 -0.340 0.000 2.280 27 E HA 0.355 4.705 4.350 -0.000 0.000 0.264 27 E C 0.537 176.932 176.600 -0.341 0.000 1.064 27 E CA -0.526 55.648 56.400 -0.377 0.000 0.900 27 E CB 1.019 30.562 29.700 -0.263 0.000 1.123 27 E HN 0.449 nan 8.360 nan 0.000 0.418 28 F N 0.384 120.222 119.950 -0.187 0.000 2.161 28 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 28 F C 2.324 178.013 175.800 -0.185 0.000 1.089 28 F CA 0.654 58.468 58.000 -0.310 0.000 1.282 28 F CB -0.957 37.709 39.000 -0.557 0.000 1.010 28 F HN 0.282 nan 8.300 nan 0.000 0.485 29 V N 0.318 120.275 119.914 0.071 0.000 2.594 29 V HA -0.238 3.882 4.120 -0.000 0.000 0.253 29 V C 1.712 177.806 176.094 0.000 0.000 1.069 29 V CA 2.010 64.352 62.300 0.070 0.000 1.082 29 V CB -0.484 31.417 31.823 0.131 0.000 0.680 29 V HN 0.204 nan 8.190 nan 0.000 0.469 30 D N -0.852 119.479 120.400 -0.115 0.000 2.264 30 D HA -0.140 4.500 4.640 -0.000 0.000 0.208 30 D C 1.681 177.855 176.300 -0.209 0.000 0.966 30 D CA 1.200 55.085 54.000 -0.192 0.000 0.864 30 D CB -0.164 40.435 40.800 -0.335 0.000 0.933 30 D HN 0.610 nan 8.370 nan 0.000 0.499 31 Y N 0.409 120.738 120.300 0.047 0.000 2.544 31 Y HA 0.053 4.603 4.550 -0.000 0.000 0.286 31 Y C 0.974 176.907 175.900 0.054 0.000 1.141 31 Y CA -0.135 58.025 58.100 0.101 0.000 1.299 31 Y CB -0.056 38.552 38.460 0.248 0.000 1.030 31 Y HN -0.264 nan 8.280 nan 0.000 0.543 32 V N 2.054 122.017 119.914 0.082 0.000 2.488 32 V HA 0.050 4.170 4.120 -0.000 0.000 0.277 32 V C -0.039 175.935 176.094 -0.201 0.000 1.046 32 V CA -0.531 61.710 62.300 -0.099 0.000 0.986 32 V CB 0.791 32.401 31.823 -0.355 0.000 0.989 32 V HN 0.211 nan 8.190 nan 0.000 0.475 33 N N 7.015 125.615 118.700 -0.166 0.000 2.558 33 N HA 0.403 5.143 4.740 -0.000 0.000 0.242 33 N C -2.021 173.375 175.510 -0.190 0.000 0.979 33 N CA -2.236 50.720 53.050 -0.156 0.000 0.931 33 N CB 2.057 40.504 38.487 -0.066 0.000 1.122 33 N HN 0.204 nan 8.380 nan 0.000 0.508 34 P HA 0.036 nan 4.420 nan 0.000 0.230 34 P C 0.883 178.175 177.300 -0.013 0.000 1.158 34 P CA 0.749 63.731 63.100 -0.196 0.000 0.769 34 P CB 0.349 31.888 31.700 -0.268 0.000 0.807 35 L N -2.051 119.166 121.223 -0.011 0.000 2.558 35 L HA 0.150 4.490 4.340 -0.000 0.000 0.225 35 L C 1.396 178.287 176.870 0.034 0.000 1.128 35 L CA -0.152 54.719 54.840 0.052 0.000 0.868 35 L CB -0.526 41.586 42.059 0.088 0.000 1.006 35 L HN 0.067 nan 8.230 nan 0.000 0.454 36 M N 1.174 120.792 119.600 0.029 0.000 2.474 36 M HA 0.092 4.572 4.480 -0.000 0.000 0.352 36 M C 1.035 177.452 176.300 0.195 0.000 1.690 36 M CA 1.245 56.573 55.300 0.047 0.000 1.112 36 M CB -0.080 32.525 32.600 0.009 0.000 2.062 36 M HN 0.300 nan 8.290 nan 0.000 0.461 37 G N 2.617 111.533 108.800 0.194 0.000 2.141 37 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.242 37 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.242 37 G C 0.401 175.448 174.900 0.245 0.000 0.982 37 G CA 0.632 45.914 45.100 0.303 0.000 0.662 37 G HN 0.900 nan 8.290 nan 0.000 0.527 38 T N -2.429 112.254 114.554 0.215 0.000 3.065 38 T HA 0.305 4.655 4.350 -0.000 0.000 0.252 38 T C 0.943 175.865 174.700 0.370 0.000 1.099 38 T CA 0.963 63.268 62.100 0.342 0.000 1.063 38 T CB 0.401 69.564 68.868 0.492 0.000 0.948 38 T HN 0.431 nan 8.240 nan 0.000 0.506 39 E N 1.971 122.296 120.200 0.209 0.000 1.972 39 E HA 0.282 4.632 4.350 -0.000 0.000 0.292 39 E C -0.937 175.875 176.600 0.353 0.000 1.193 39 E CA -0.356 56.168 56.400 0.207 0.000 1.228 39 E CB -0.279 29.389 29.700 -0.053 0.000 1.167 39 E HN 0.332 nan 8.360 nan 0.000 0.479 40 S N 0.735 116.664 115.700 0.382 0.000 2.568 40 S HA 0.558 5.028 4.470 -0.000 0.000 0.293 40 S C -0.389 174.420 174.600 0.348 0.000 1.089 40 S CA -0.864 57.567 58.200 0.386 0.000 0.945 40 S CB 1.938 65.347 63.200 0.347 0.000 1.077 40 S HN 0.503 nan 8.310 nan 0.000 0.485 41 T N -2.572 112.122 114.554 0.233 0.000 2.831 41 T HA 0.712 5.062 4.350 -0.000 0.000 0.287 41 T C 1.213 175.771 174.700 -0.237 0.000 1.070 41 T CA -0.445 61.640 62.100 -0.024 0.000 1.010 41 T CB -0.227 68.595 68.868 -0.077 0.000 1.264 41 T HN 0.482 nan 8.240 nan 0.000 0.532 42 F N -0.118 119.224 119.950 -1.013 0.000 2.126 42 F HA 0.301 4.827 4.527 -0.000 0.000 0.299 42 F C 2.967 178.656 175.800 -0.186 0.000 1.096 42 F CA 1.770 59.174 58.000 -0.993 0.000 1.255 42 F CB -1.709 36.495 39.000 -1.327 0.000 0.997 42 F HN 1.022 nan 8.300 nan 0.000 0.479 43 A N -0.790 121.927 122.820 -0.171 0.000 1.873 43 A HA 0.324 4.644 4.320 -0.000 0.000 0.215 43 A C 1.303 178.889 177.584 0.003 0.000 1.186 43 A CA 1.923 53.928 52.037 -0.053 0.000 0.616 43 A CB -1.332 17.629 19.000 -0.065 0.000 0.823 43 A HN 1.613 nan 8.150 nan 0.000 0.442 44 F N -0.041 119.908 119.950 -0.002 0.000 2.496 44 F HA 0.662 5.189 4.527 -0.000 0.000 0.341 44 F C 0.201 175.956 175.800 -0.075 0.000 1.134 44 F CA -0.350 57.619 58.000 -0.052 0.000 0.968 44 F CB 0.647 39.600 39.000 -0.079 0.000 1.205 44 F HN 0.206 nan 8.300 nan 0.000 0.436 45 S N 1.622 117.296 115.700 -0.044 0.000 2.489 45 S HA 0.380 4.850 4.470 -0.000 0.000 0.277 45 S C 0.291 174.775 174.600 -0.194 0.000 1.230 45 S CA -0.271 57.939 58.200 0.017 0.000 1.053 45 S CB -0.070 63.232 63.200 0.170 0.000 0.955 45 S HN 0.700 nan 8.310 nan 0.000 0.488 46 H N 3.649 122.813 119.070 0.157 0.000 2.528 46 H HA 0.297 4.852 4.556 -0.000 0.000 0.282 46 H C 1.354 176.801 175.328 0.200 0.000 1.097 46 H CA 0.549 56.689 56.048 0.155 0.000 1.121 46 H CB 0.793 30.630 29.762 0.126 0.000 1.590 46 H HN 0.884 nan 8.280 nan 0.000 0.553 47 G N 0.701 109.607 108.800 0.178 0.000 3.468 47 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 47 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 47 G C 0.166 175.068 174.900 0.003 0.000 0.968 47 G CA -0.336 44.769 45.100 0.007 0.000 0.851 47 G HN 0.328 nan 8.290 nan 0.000 0.524 48 N N 1.266 120.025 118.700 0.098 0.000 2.705 48 N HA -0.182 4.558 4.740 -0.000 0.000 0.255 48 N C 0.171 175.666 175.510 -0.025 0.000 1.008 48 N CA 0.913 53.987 53.050 0.039 0.000 0.742 48 N CB -0.740 37.734 38.487 -0.022 0.000 0.906 48 N HN 0.918 nan 8.380 nan 0.000 0.541 49 T N -2.181 112.398 114.554 0.041 0.000 2.930 49 T HA 0.688 5.038 4.350 -0.000 0.000 0.290 49 T C -0.396 174.358 174.700 0.090 0.000 1.052 49 T CA -0.839 61.238 62.100 -0.038 0.000 1.017 49 T CB 1.624 70.483 68.868 -0.015 0.000 1.137 49 T HN 0.237 nan 8.240 nan 0.000 0.511 50 Y N -1.566 118.789 120.300 0.092 0.000 2.598 50 Y HA 0.761 5.311 4.550 -0.000 0.000 0.340 50 Y C -2.808 173.065 175.900 -0.045 0.000 1.038 50 Y CA -3.608 54.509 58.100 0.028 0.000 1.100 50 Y CB 0.692 39.168 38.460 0.027 0.000 1.281 50 Y HN 0.386 nan 8.280 nan 0.000 0.488 51 P HA 0.242 nan 4.420 nan 0.000 0.238 51 P C -0.514 176.815 177.300 0.047 0.000 1.794 51 P CA 0.069 63.141 63.100 -0.046 0.000 1.088 51 P CB -0.041 31.561 31.700 -0.163 0.000 1.923 52 A N 3.626 126.517 122.820 0.117 0.000 2.522 52 A HA 0.212 4.532 4.320 -0.000 0.000 0.256 52 A C 0.394 178.001 177.584 0.039 0.000 1.086 52 A CA 0.010 52.115 52.037 0.114 0.000 0.763 52 A CB -0.028 18.875 19.000 -0.161 0.000 1.024 52 A HN 0.343 nan 8.150 nan 0.000 0.502 53 V N 2.531 122.487 119.914 0.070 0.000 2.383 53 V HA 0.675 4.795 4.120 -0.000 0.000 0.275 53 V C 0.599 176.779 176.094 0.143 0.000 1.036 53 V CA 0.792 63.135 62.300 0.071 0.000 0.889 53 V CB 0.367 32.226 31.823 0.060 0.000 0.985 53 V HN 1.431 nan 8.190 nan 0.000 0.459 54 A N 4.416 127.352 122.820 0.194 0.000 2.511 54 A HA 0.878 5.198 4.320 -0.000 0.000 0.293 54 A C -0.925 176.902 177.584 0.405 0.000 1.098 54 A CA -0.094 52.080 52.037 0.227 0.000 0.643 54 A CB 1.523 20.404 19.000 -0.198 0.000 1.302 54 A HN 1.457 nan 8.150 nan 0.000 0.446 55 V N -2.859 117.170 119.914 0.192 0.000 3.019 55 V HA 0.842 4.962 4.120 -0.000 0.000 0.317 55 V C -2.952 172.902 176.094 -0.400 0.000 1.094 55 V CA -2.836 59.374 62.300 -0.150 0.000 1.000 55 V CB 1.200 32.941 31.823 -0.136 0.000 1.060 55 V HN 0.621 nan 8.190 nan 0.000 0.443 56 P HA 0.017 nan 4.420 nan 0.000 0.262 56 P C -0.082 176.932 177.300 -0.477 0.000 1.182 56 P CA 0.687 63.078 63.100 -1.181 0.000 0.761 56 P CB -0.083 30.565 31.700 -1.755 0.000 0.795 57 W N 0.247 121.458 121.300 -0.148 0.000 4.650 57 W HA -0.164 4.496 4.660 0.000 0.000 0.335 57 W C 0.681 177.231 176.519 0.053 0.000 1.222 57 W CA 0.753 58.099 57.345 0.003 0.000 0.807 57 W CB -2.473 26.978 29.460 -0.015 0.000 2.290 57 W HN 0.481 nan 8.180 nan 0.000 1.514 58 G N 0.918 109.898 108.800 0.299 0.000 2.353 58 G HA2 0.182 4.142 3.960 -0.000 0.000 0.239 58 G HA3 0.182 4.142 3.960 -0.000 0.000 0.239 58 G C 0.838 175.842 174.900 0.173 0.000 1.295 58 G CA 0.294 45.557 45.100 0.271 0.000 0.884 58 G HN 0.264 nan 8.290 nan 0.000 0.537 59 M N 1.872 121.532 119.600 0.101 0.000 2.108 59 M HA -0.070 4.410 4.480 -0.000 0.000 0.261 59 M C 0.570 176.986 176.300 0.192 0.000 1.066 59 M CA 1.386 56.755 55.300 0.114 0.000 1.107 59 M CB -0.076 32.574 32.600 0.083 0.000 1.356 59 M HN 0.622 nan 8.290 nan 0.000 0.406 60 N N -0.535 118.274 118.700 0.182 0.000 2.354 60 N HA 0.350 5.090 4.740 -0.000 0.000 0.287 60 N C -1.558 174.072 175.510 0.200 0.000 1.016 60 N CA -0.740 52.358 53.050 0.079 0.000 0.871 60 N CB 1.350 39.928 38.487 0.151 0.000 1.299 60 N HN -0.052 nan 8.380 nan 0.000 0.482 61 F N 0.818 120.673 119.950 -0.158 0.000 2.450 61 F HA 0.555 5.082 4.527 -0.000 0.000 0.328 61 F C -0.218 175.408 175.800 -0.290 0.000 1.068 61 F CA -1.316 56.655 58.000 -0.048 0.000 1.007 61 F CB 0.649 39.654 39.000 0.010 0.000 1.251 61 F HN 0.365 nan 8.300 nan 0.000 0.492 62 W N 0.035 121.405 121.300 0.116 0.000 2.844 62 W HA 0.621 5.281 4.660 -0.000 0.000 0.340 62 W C -0.439 176.052 176.519 -0.047 0.000 1.093 62 W CA -0.594 56.735 57.345 -0.027 0.000 1.212 62 W CB 2.076 31.498 29.460 -0.062 0.000 1.422 62 W HN 0.375 nan 8.180 nan 0.000 0.515 63 S N 2.917 118.666 115.700 0.082 0.000 2.537 63 S HA 0.577 5.047 4.470 -0.000 0.000 0.271 63 S C -2.886 171.665 174.600 -0.082 0.000 1.148 63 S CA -1.470 56.690 58.200 -0.066 0.000 0.868 63 S CB 1.396 64.486 63.200 -0.183 0.000 1.115 63 S HN 0.165 nan 8.310 nan 0.000 0.461 64 P HA 0.127 nan 4.420 nan 0.000 0.269 64 P C -1.414 175.830 177.300 -0.095 0.000 1.215 64 P CA -0.058 62.862 63.100 -0.299 0.000 0.780 64 P CB 0.347 31.782 31.700 -0.442 0.000 0.898 65 Q N 1.153 120.873 119.800 -0.134 0.000 2.310 65 Q HA 0.346 4.686 4.340 -0.000 0.000 0.270 65 Q C 0.259 176.262 176.000 0.006 0.000 1.025 65 Q CA -0.490 55.300 55.803 -0.021 0.000 0.772 65 Q CB 1.345 30.047 28.738 -0.059 0.000 1.253 65 Q HN 0.509 nan 8.270 nan 0.000 0.450 66 T N -0.153 114.441 114.554 0.068 0.000 3.000 66 T HA 0.306 4.656 4.350 -0.000 0.000 0.248 66 T C 0.870 175.606 174.700 0.059 0.000 1.034 66 T CA 0.419 62.552 62.100 0.056 0.000 1.060 66 T CB 0.291 69.168 68.868 0.016 0.000 0.983 66 T HN 0.529 nan 8.240 nan 0.000 0.482 67 G N 0.980 109.826 108.800 0.075 0.000 2.572 67 G HA2 0.462 4.422 3.960 -0.000 0.000 0.261 67 G HA3 0.462 4.422 3.960 -0.000 0.000 0.261 67 G C -0.453 174.494 174.900 0.078 0.000 1.197 67 G CA -0.679 44.474 45.100 0.089 0.000 0.870 67 G HN 0.462 nan 8.290 nan 0.000 0.548 68 E N 0.103 120.357 120.200 0.089 0.000 2.422 68 E HA -0.025 4.325 4.350 -0.000 0.000 0.260 68 E C -0.051 176.512 176.600 -0.062 0.000 1.108 68 E CA -0.258 56.216 56.400 0.123 0.000 0.943 68 E CB 0.420 30.209 29.700 0.150 0.000 0.961 68 E HN 0.327 nan 8.360 nan 0.000 0.443 69 N N 0.477 118.929 118.700 -0.412 0.000 2.356 69 N HA 0.014 4.754 4.740 -0.000 0.000 0.252 69 N C 0.875 176.070 175.510 -0.526 0.000 1.241 69 N CA 1.364 53.940 53.050 -0.790 0.000 0.861 69 N CB 0.660 38.093 38.487 -1.756 0.000 1.075 69 N HN 0.765 nan 8.380 nan 0.000 0.461 70 G N 0.122 108.758 108.800 -0.273 0.000 2.258 70 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.233 70 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.233 70 G C 0.296 175.249 174.900 0.088 0.000 1.006 70 G CA 0.380 45.453 45.100 -0.046 0.000 0.620 70 G HN 0.796 nan 8.290 nan 0.000 0.511 71 S N 0.987 116.724 115.700 0.062 0.000 2.523 71 S HA 0.532 5.002 4.470 -0.000 0.000 0.275 71 S C 1.745 176.410 174.600 0.109 0.000 1.281 71 S CA 0.816 59.099 58.200 0.138 0.000 1.050 71 S CB 1.100 64.397 63.200 0.163 0.000 0.937 71 S HN 1.376 nan 8.310 nan 0.000 0.492 72 G N 4.114 112.960 108.800 0.076 0.000 2.509 72 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.218 72 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.218 72 G C 0.495 175.141 174.900 -0.424 0.000 1.124 72 G CA -0.111 44.839 45.100 -0.250 0.000 0.776 72 G HN 0.815 nan 8.290 nan 0.000 0.547 73 W N 1.439 122.708 121.300 -0.052 0.000 1.664 73 W HA 0.337 4.997 4.660 0.000 0.000 0.428 73 W C 1.319 177.860 176.519 0.036 0.000 0.726 73 W CA -0.709 56.630 57.345 -0.011 0.000 1.774 73 W CB -0.110 29.335 29.460 -0.024 0.000 1.801 73 W HN 0.169 nan 8.180 nan 0.000 0.243 74 M N 1.978 121.629 119.600 0.085 0.000 2.132 74 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 74 M C -0.226 176.180 176.300 0.176 0.000 1.065 74 M CA 1.845 57.187 55.300 0.070 0.000 1.122 74 M CB 0.141 32.696 32.600 -0.075 0.000 1.365 74 M HN 0.097 nan 8.290 nan 0.000 0.411 75 Y N 0.951 121.320 120.300 0.115 0.000 2.373 75 Y HA 0.411 4.961 4.550 0.000 0.000 0.336 75 Y C -1.114 174.938 175.900 0.255 0.000 0.979 75 Y CA -0.843 57.361 58.100 0.172 0.000 1.080 75 Y CB 1.409 39.972 38.460 0.173 0.000 1.190 75 Y HN 0.134 nan 8.280 nan 0.000 0.446 76 T N 2.704 117.192 114.554 -0.109 0.000 2.841 76 T HA 0.156 4.506 4.350 -0.000 0.000 0.285 76 T C 0.219 174.847 174.700 -0.120 0.000 0.991 76 T CA -0.526 61.607 62.100 0.055 0.000 0.966 76 T CB 0.844 69.805 68.868 0.154 0.000 0.962 76 T HN 0.761 nan 8.240 nan 0.000 0.438 77 Y N 3.796 124.107 120.300 0.018 0.000 2.228 77 Y HA -0.194 4.356 4.550 -0.000 0.000 0.285 77 Y C 2.628 178.628 175.900 0.166 0.000 1.178 77 Y CA 2.745 60.914 58.100 0.115 0.000 1.202 77 Y CB -0.344 38.194 38.460 0.130 0.000 0.974 77 Y HN 0.889 nan 8.280 nan 0.000 0.527 78 T N -2.793 111.842 114.554 0.134 0.000 3.113 78 T HA 0.006 4.356 4.350 -0.000 0.000 0.256 78 T C 0.341 175.005 174.700 -0.059 0.000 1.131 78 T CA 0.229 62.359 62.100 0.050 0.000 1.074 78 T CB -0.319 68.597 68.868 0.079 0.000 0.944 78 T HN 0.035 nan 8.240 nan 0.000 0.516 79 D N 2.477 122.822 120.400 -0.092 0.000 2.382 79 D HA 0.266 4.905 4.640 -0.000 0.000 0.245 79 D C 0.943 177.088 176.300 -0.259 0.000 1.120 79 D CA 0.093 54.021 54.000 -0.120 0.000 0.890 79 D CB 1.508 42.264 40.800 -0.072 0.000 1.201 79 D HN 0.438 nan 8.370 nan 0.000 0.433 80 S N 0.577 116.124 115.700 -0.256 0.000 2.629 80 S HA 0.253 4.723 4.470 -0.000 0.000 0.236 80 S C 0.258 174.711 174.600 -0.246 0.000 1.010 80 S CA -0.489 57.417 58.200 -0.490 0.000 0.981 80 S CB 0.034 63.019 63.200 -0.358 0.000 0.919 80 S HN 0.287 nan 8.310 nan 0.000 0.514 81 L N 1.905 123.161 121.223 0.055 0.000 2.381 81 L HA 0.671 5.011 4.340 -0.000 0.000 0.274 81 L C -0.703 176.355 176.870 0.312 0.000 0.988 81 L CA -0.719 54.244 54.840 0.205 0.000 0.824 81 L CB 1.942 44.048 42.059 0.078 0.000 1.263 81 L HN 0.160 nan 8.230 nan 0.000 0.410 82 M N 2.290 122.100 119.600 0.349 0.000 2.318 82 M HA 0.402 4.882 4.480 -0.000 0.000 0.347 82 M C 0.524 176.834 176.300 0.016 0.000 1.175 82 M CA 0.398 55.784 55.300 0.142 0.000 1.075 82 M CB 1.356 34.040 32.600 0.140 0.000 1.614 82 M HN 0.456 nan 8.290 nan 0.000 0.456 83 R N 2.071 122.547 120.500 -0.040 0.000 2.287 83 R HA 0.517 4.857 4.340 -0.000 0.000 0.197 83 R C 0.363 176.629 176.300 -0.057 0.000 0.900 83 R CA 0.111 56.194 56.100 -0.028 0.000 1.052 83 R CB 0.905 31.221 30.300 0.027 0.000 1.117 83 R HN 0.867 nan 8.270 nan 0.000 0.568 84 G N 0.118 108.814 108.800 -0.173 0.000 2.430 84 G HA2 0.401 4.361 3.960 -0.000 0.000 0.300 84 G HA3 0.401 4.361 3.960 -0.000 0.000 0.300 84 G C -1.859 172.785 174.900 -0.427 0.000 1.330 84 G CA -0.841 44.165 45.100 -0.157 0.000 0.813 84 G HN -0.011 nan 8.290 nan 0.000 0.487 85 F N 1.241 121.314 119.950 0.205 0.000 2.445 85 F HA 0.586 5.113 4.527 0.000 0.000 0.348 85 F C 0.734 176.655 175.800 0.202 0.000 1.125 85 F CA -0.864 57.289 58.000 0.255 0.000 0.983 85 F CB 1.943 41.247 39.000 0.507 0.000 1.198 85 F HN -0.042 nan 8.300 nan 0.000 0.436 86 R N 2.115 122.657 120.500 0.071 0.000 2.349 86 R HA 0.220 4.560 4.340 -0.000 0.000 0.299 86 R C -0.213 175.577 176.300 -0.850 0.000 1.027 86 R CA -0.656 55.238 56.100 -0.343 0.000 0.958 86 R CB 1.688 31.767 30.300 -0.367 0.000 1.047 86 R HN 0.699 nan 8.270 nan 0.000 0.468 87 Q N 1.843 120.656 119.800 -1.645 0.000 2.307 87 Q HA 0.106 4.446 4.340 -0.000 0.000 0.259 87 Q C -0.888 174.409 176.000 -1.172 0.000 0.998 87 Q CA 0.318 54.908 55.803 -2.021 0.000 0.923 87 Q CB 0.939 28.441 28.738 -2.061 0.000 1.196 87 Q HN 0.501 nan 8.270 nan 0.000 0.416 88 T N 2.552 116.506 114.554 -1.001 0.000 2.906 88 T HA 0.360 4.710 4.350 -0.000 0.000 0.295 88 T C -0.265 173.872 174.700 -0.938 0.000 1.061 88 T CA -0.549 61.071 62.100 -0.800 0.000 1.000 88 T CB 1.036 69.533 68.868 -0.618 0.000 1.103 88 T HN 0.751 nan 8.240 nan 0.000 0.486 89 H N 1.573 120.436 119.070 -0.343 0.000 3.058 89 H HA 0.245 4.801 4.556 -0.000 0.000 0.266 89 H C 0.605 175.957 175.328 0.040 0.000 1.135 89 H CA -0.218 55.652 56.048 -0.297 0.000 1.174 89 H CB 0.643 29.974 29.762 -0.719 0.000 1.581 89 H HN 0.568 nan 8.280 nan 0.000 0.553 90 Q N 3.955 123.841 119.800 0.144 0.000 2.255 90 Q HA 0.017 4.357 4.340 -0.000 0.000 0.280 90 Q C -1.680 174.595 176.000 0.457 0.000 1.068 90 Q CA -1.272 54.688 55.803 0.261 0.000 0.911 90 Q CB 1.134 29.950 28.738 0.131 0.000 1.157 90 Q HN 0.121 nan 8.270 nan 0.000 0.380 91 P HA 0.051 nan 4.420 nan 0.000 0.245 91 P C -0.554 176.739 177.300 -0.011 0.000 1.199 91 P CA 0.363 63.456 63.100 -0.011 0.000 0.807 91 P CB 0.615 32.394 31.700 0.131 0.000 1.002 92 S N -1.772 113.956 115.700 0.045 0.000 2.552 92 S HA 0.445 4.915 4.470 -0.000 0.000 0.272 92 S C -2.637 171.823 174.600 -0.234 0.000 1.150 92 S CA -1.161 57.013 58.200 -0.044 0.000 0.849 92 S CB 1.541 64.809 63.200 0.113 0.000 1.113 92 S HN -0.308 nan 8.310 nan 0.000 0.458 93 P HA -0.029 nan 4.420 nan 0.000 0.218 93 P C 0.995 177.822 177.300 -0.788 0.000 1.149 93 P CA 1.183 63.621 63.100 -1.103 0.000 0.817 93 P CB -0.130 30.087 31.700 -2.471 0.000 0.785 94 W N -0.743 120.416 121.300 -0.235 0.000 2.523 94 W HA 0.070 4.730 4.660 -0.000 0.000 0.278 94 W C 1.996 178.419 176.519 -0.159 0.000 1.236 94 W CA 0.176 57.456 57.345 -0.110 0.000 1.306 94 W CB -0.703 28.723 29.460 -0.056 0.000 1.101 94 W HN -0.098 nan 8.180 nan 0.000 0.577 95 I N 0.266 120.815 120.570 -0.035 0.000 2.353 95 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 95 I C 1.245 177.323 176.117 -0.065 0.000 1.119 95 I CA 1.155 62.356 61.300 -0.164 0.000 1.417 95 I CB -1.154 36.638 38.000 -0.347 0.000 1.078 95 I HN 0.074 nan 8.210 nan 0.000 0.421 96 N N 0.821 119.492 118.700 -0.048 0.000 6.681 96 N HA -0.204 4.536 4.740 -0.000 0.000 0.407 96 N C -0.372 175.198 175.510 0.099 0.000 0.934 96 N CA 0.948 54.005 53.050 0.012 0.000 1.206 96 N CB -0.462 38.059 38.487 0.057 0.000 0.835 96 N HN 0.191 nan 8.380 nan 0.000 0.310 97 D N -0.981 119.526 120.400 0.177 0.000 2.449 97 D HA 0.749 5.389 4.640 -0.000 0.000 0.250 97 D C -0.782 175.695 176.300 0.294 0.000 1.050 97 D CA 0.072 54.179 54.000 0.179 0.000 1.024 97 D CB 0.850 41.681 40.800 0.052 0.000 1.218 97 D HN 0.440 nan 8.370 nan 0.000 0.566 98 Y N -3.087 117.341 120.300 0.212 0.000 2.624 98 Y HA 0.482 5.032 4.550 -0.000 0.000 0.334 98 Y C 0.341 176.535 175.900 0.491 0.000 1.155 98 Y CA -1.031 57.214 58.100 0.241 0.000 1.046 98 Y CB 0.942 39.395 38.460 -0.012 0.000 1.316 98 Y HN 0.512 nan 8.280 nan 0.000 0.457 99 G N 0.911 110.139 108.800 0.713 0.000 2.323 99 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.292 99 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.292 99 G C -0.252 174.814 174.900 0.276 0.000 1.040 99 G CA 0.692 46.151 45.100 0.598 0.000 0.942 99 G HN 1.031 nan 8.290 nan 0.000 0.506 100 T N -0.488 114.104 114.554 0.064 0.000 2.856 100 T HA 0.817 5.167 4.350 -0.000 0.000 0.283 100 T C -0.290 174.265 174.700 -0.241 0.000 1.008 100 T CA -0.109 61.814 62.100 -0.294 0.000 0.997 100 T CB 1.019 69.528 68.868 -0.597 0.000 0.992 100 T HN 1.310 nan 8.240 nan 0.000 0.454 101 F N 1.086 120.796 119.950 -0.400 0.000 2.685 101 F HA 0.858 5.385 4.527 -0.000 0.000 0.315 101 F C -0.649 175.022 175.800 -0.215 0.000 1.126 101 F CA -1.078 56.755 58.000 -0.278 0.000 0.950 101 F CB 1.153 39.840 39.000 -0.522 0.000 1.360 101 F HN 0.571 nan 8.300 nan 0.000 0.469 102 S N 0.762 116.493 115.700 0.051 0.000 2.632 102 S HA 0.856 5.326 4.470 -0.000 0.000 0.289 102 S C -1.375 173.388 174.600 0.270 0.000 1.115 102 S CA -0.764 57.461 58.200 0.041 0.000 0.889 102 S CB 1.927 65.184 63.200 0.094 0.000 1.116 102 S HN 0.780 nan 8.310 nan 0.000 0.486 103 I N 1.499 122.261 120.570 0.320 0.000 2.465 103 I HA 0.557 4.727 4.170 -0.000 0.000 0.291 103 I C -1.153 175.170 176.117 0.344 0.000 1.014 103 I CA -0.639 60.825 61.300 0.275 0.000 1.093 103 I CB 2.133 40.139 38.000 0.010 0.000 1.267 103 I HN 0.658 nan 8.210 nan 0.000 0.431 104 M N 9.862 129.635 119.600 0.288 0.000 2.098 104 M HA 0.457 4.937 4.480 -0.000 0.000 0.265 104 M C -2.820 173.644 176.300 0.274 0.000 0.940 104 M CA -2.180 53.305 55.300 0.309 0.000 1.007 104 M CB 1.667 34.373 32.600 0.176 0.000 1.823 104 M HN 0.069 nan 8.290 nan 0.000 0.453 105 P HA 0.360 nan 4.420 nan 0.000 0.275 105 P C -1.258 176.183 177.300 0.235 0.000 1.228 105 P CA -0.108 63.170 63.100 0.296 0.000 0.786 105 P CB 0.857 32.664 31.700 0.179 0.000 0.927 106 L N 1.283 122.715 121.223 0.347 0.000 2.422 106 L HA 0.702 5.042 4.340 -0.000 0.000 0.264 106 L C -0.184 176.918 176.870 0.386 0.000 0.984 106 L CA -1.075 53.916 54.840 0.251 0.000 0.819 106 L CB 2.353 44.528 42.059 0.193 0.000 1.330 106 L HN 0.338 nan 8.230 nan 0.000 0.410 107 A N 1.306 124.283 122.820 0.262 0.000 2.330 107 A HA 0.873 5.193 4.320 -0.000 0.000 0.327 107 A C 0.489 178.180 177.584 0.178 0.000 1.155 107 A CA 0.364 52.551 52.037 0.251 0.000 0.803 107 A CB 1.338 20.481 19.000 0.239 0.000 1.208 107 A HN 1.081 nan 8.150 nan 0.000 0.477 108 G N 1.041 109.942 108.800 0.169 0.000 3.226 108 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.270 108 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.270 108 G C 0.062 175.068 174.900 0.178 0.000 1.592 108 G CA 0.176 45.355 45.100 0.131 0.000 1.055 108 G HN 1.245 nan 8.290 nan 0.000 0.582 109 E N 0.514 120.759 120.200 0.075 0.000 2.229 109 E HA 0.522 4.871 4.350 -0.000 0.000 0.283 109 E C 0.192 176.706 176.600 -0.142 0.000 1.030 109 E CA -0.166 56.223 56.400 -0.018 0.000 0.836 109 E CB 1.476 31.150 29.700 -0.043 0.000 1.068 109 E HN 1.028 nan 8.360 nan 0.000 0.401 110 L N 3.734 124.725 121.223 -0.387 0.000 2.367 110 L HA 0.305 4.645 4.340 -0.000 0.000 0.275 110 L C -0.308 176.319 176.870 -0.406 0.000 1.129 110 L CA 0.429 54.847 54.840 -0.704 0.000 0.839 110 L CB 0.220 41.542 42.059 -1.228 0.000 1.133 110 L HN 0.338 nan 8.230 nan 0.000 0.453 111 K N 6.172 126.378 120.400 -0.323 0.000 2.443 111 K HA 0.324 4.644 4.320 -0.000 0.000 0.252 111 K C -0.129 176.316 176.600 -0.259 0.000 0.933 111 K CA -0.772 55.362 56.287 -0.254 0.000 0.792 111 K CB 2.084 34.482 32.500 -0.171 0.000 1.185 111 K HN 0.554 nan 8.250 nan 0.000 0.425 112 M N 0.003 119.390 119.600 -0.355 0.000 2.556 112 M HA 0.048 4.528 4.480 -0.000 0.000 0.259 112 M C 1.159 177.264 176.300 -0.324 0.000 1.175 112 M CA 0.766 55.809 55.300 -0.428 0.000 1.202 112 M CB -0.578 31.507 32.600 -0.858 0.000 1.298 112 M HN 0.577 nan 8.290 nan 0.000 0.492 113 S N 1.320 116.802 115.700 -0.363 0.000 2.564 113 S HA 0.019 4.489 4.470 -0.000 0.000 0.278 113 S C 1.478 176.099 174.600 0.035 0.000 1.333 113 S CA -0.371 57.825 58.200 -0.007 0.000 1.048 113 S CB 0.266 63.487 63.200 0.036 0.000 0.900 113 S HN 0.560 nan 8.310 nan 0.000 0.505 114 H N 4.331 123.493 119.070 0.153 0.000 2.492 114 H HA -0.032 4.524 4.556 -0.000 0.000 0.296 114 H C 1.000 176.323 175.328 -0.008 0.000 1.095 114 H CA 1.369 57.440 56.048 0.037 0.000 1.281 114 H CB -0.086 29.656 29.762 -0.034 0.000 1.374 114 H HN 0.567 nan 8.280 nan 0.000 0.545 115 K N 0.730 120.734 120.400 -0.658 0.000 2.288 115 K HA -0.045 4.275 4.320 -0.000 0.000 0.201 115 K C 1.366 177.850 176.600 -0.194 0.000 1.048 115 K CA 0.933 56.953 56.287 -0.445 0.000 0.956 115 K CB 0.242 32.508 32.500 -0.390 0.000 0.746 115 K HN 0.620 nan 8.250 nan 0.000 0.461 116 E N -0.047 120.061 120.200 -0.153 0.000 2.490 116 E HA 0.076 4.426 4.350 -0.000 0.000 0.209 116 E C -0.006 176.541 176.600 -0.088 0.000 0.971 116 E CA -0.154 56.180 56.400 -0.109 0.000 0.988 116 E CB 0.619 30.247 29.700 -0.120 0.000 1.029 116 E HN 0.057 nan 8.360 nan 0.000 0.496 117 R N 1.671 122.128 120.500 -0.072 0.000 2.429 117 R HA 0.276 4.616 4.340 -0.000 0.000 0.302 117 R C -0.741 175.537 176.300 -0.038 0.000 1.268 117 R CA 0.175 56.243 56.100 -0.054 0.000 1.090 117 R CB 0.003 30.289 30.300 -0.024 0.000 1.102 117 R HN -0.040 nan 8.270 nan 0.000 0.522 118 L N 3.190 124.389 121.223 -0.040 0.000 2.415 118 L HA 0.401 4.741 4.340 -0.000 0.000 0.268 118 L C -0.859 176.007 176.870 -0.006 0.000 0.984 118 L CA -0.825 54.009 54.840 -0.010 0.000 0.853 118 L CB 2.072 44.126 42.059 -0.008 0.000 1.215 118 L HN 0.161 nan 8.230 nan 0.000 0.419 119 V N 3.974 123.894 119.914 0.010 0.000 2.378 119 V HA 0.424 4.544 4.120 -0.000 0.000 0.288 119 V C -2.201 174.034 176.094 0.235 0.000 1.016 119 V CA -1.924 60.377 62.300 0.001 0.000 0.840 119 V CB 1.829 33.454 31.823 -0.330 0.000 0.994 119 V HN 0.464 nan 8.190 nan 0.000 0.431 120 P HA 0.319 nan 4.420 nan 0.000 0.268 120 P C -0.888 176.670 177.300 0.430 0.000 1.205 120 P CA 0.202 63.437 63.100 0.225 0.000 0.771 120 P CB 0.263 32.023 31.700 0.101 0.000 0.858 121 F N -0.766 119.252 119.950 0.113 0.000 2.662 121 F HA 0.742 5.269 4.527 0.000 0.000 0.312 121 F C -0.931 174.809 175.800 -0.099 0.000 1.113 121 F CA -1.206 56.816 58.000 0.038 0.000 0.951 121 F CB 1.254 40.245 39.000 -0.015 0.000 1.344 121 F HN 0.186 nan 8.300 nan 0.000 0.462 122 S N 0.136 115.745 115.700 -0.150 0.000 2.482 122 S HA 0.344 4.814 4.470 -0.000 0.000 0.303 122 S C 0.433 174.957 174.600 -0.127 0.000 1.091 122 S CA -0.569 57.465 58.200 -0.277 0.000 1.057 122 S CB 0.570 63.709 63.200 -0.103 0.000 1.031 122 S HN 0.794 nan 8.310 nan 0.000 0.485 123 H N 3.109 122.123 119.070 -0.093 0.000 2.489 123 H HA -0.072 4.484 4.556 -0.000 0.000 0.295 123 H C 1.612 176.971 175.328 0.051 0.000 1.082 123 H CA 1.616 57.689 56.048 0.042 0.000 1.295 123 H CB 0.131 29.876 29.762 -0.028 0.000 1.380 123 H HN 0.717 nan 8.280 nan 0.000 0.548 124 Q N 0.082 119.949 119.800 0.112 0.000 2.291 124 Q HA -0.093 4.247 4.340 -0.000 0.000 0.206 124 Q C 0.856 176.881 176.000 0.041 0.000 0.976 124 Q CA 0.737 56.582 55.803 0.070 0.000 0.875 124 Q CB 0.266 29.027 28.738 0.038 0.000 0.927 124 Q HN 0.351 nan 8.270 nan 0.000 0.450 125 Q N 0.422 120.244 119.800 0.037 0.000 2.241 125 Q HA 0.169 4.509 4.340 -0.000 0.000 0.296 125 Q C -0.939 175.034 176.000 -0.045 0.000 0.889 125 Q CA 0.082 55.881 55.803 -0.007 0.000 1.089 125 Q CB 0.869 29.600 28.738 -0.013 0.000 1.195 125 Q HN 0.297 nan 8.270 nan 0.000 0.451 126 E N 0.122 120.313 120.200 -0.014 0.000 2.234 126 E HA 0.320 4.670 4.350 -0.000 0.000 0.266 126 E C -1.428 175.083 176.600 -0.149 0.000 0.877 126 E CA -0.325 56.011 56.400 -0.107 0.000 0.758 126 E CB 1.648 31.422 29.700 0.124 0.000 1.170 126 E HN -0.224 nan 8.360 nan 0.000 0.415 127 K N 2.654 122.852 120.400 -0.337 0.000 2.616 127 K HA 0.619 4.939 4.320 -0.000 0.000 0.241 127 K C -1.412 174.956 176.600 -0.386 0.000 0.961 127 K CA -0.067 56.056 56.287 -0.273 0.000 0.942 127 K CB 1.125 33.489 32.500 -0.226 0.000 1.153 127 K HN 0.580 nan 8.250 nan 0.000 0.452 128 A N 2.978 125.659 122.820 -0.233 0.000 2.260 128 A HA 0.683 5.003 4.320 -0.000 0.000 0.308 128 A C 0.328 177.769 177.584 -0.239 0.000 1.254 128 A CA -0.137 51.824 52.037 -0.126 0.000 0.874 128 A CB 0.492 19.541 19.000 0.082 0.000 1.153 128 A HN 0.971 nan 8.150 nan 0.000 0.527 129 T N -0.238 114.095 114.554 -0.367 0.000 2.883 129 T HA 0.668 5.018 4.350 -0.000 0.000 0.296 129 T C -2.633 171.706 174.700 -0.603 0.000 1.117 129 T CA -1.659 60.086 62.100 -0.592 0.000 1.006 129 T CB 1.773 70.039 68.868 -1.003 0.000 1.191 129 T HN 0.118 nan 8.240 nan 0.000 0.508 130 P HA 0.047 nan 4.420 nan 0.000 0.223 130 P C 0.713 177.880 177.300 -0.221 0.000 1.151 130 P CA 0.698 63.439 63.100 -0.598 0.000 0.787 130 P CB -0.297 30.654 31.700 -1.249 0.000 0.788 131 Y N -2.591 117.633 120.300 -0.128 0.000 2.449 131 Y HA 0.472 5.022 4.550 0.000 0.000 0.254 131 Y C -0.017 175.864 175.900 -0.031 0.000 1.140 131 Y CA -0.902 57.215 58.100 0.027 0.000 1.272 131 Y CB -0.374 38.128 38.460 0.069 0.000 1.114 131 Y HN -0.214 nan 8.280 nan 0.000 0.525 132 N N -0.116 118.331 118.700 -0.422 0.000 2.827 132 N HA 0.158 4.898 4.740 -0.000 0.000 0.248 132 N C -2.442 172.901 175.510 -0.277 0.000 1.074 132 N CA -0.610 52.272 53.050 -0.282 0.000 1.042 132 N CB 0.951 39.319 38.487 -0.198 0.000 1.684 132 N HN 0.218 nan 8.380 nan 0.000 0.542 133 Y N 2.511 122.637 120.300 -0.289 0.000 2.335 133 Y HA 0.698 5.248 4.550 -0.000 0.000 0.338 133 Y C -0.866 174.900 175.900 -0.224 0.000 0.977 133 Y CA -0.330 57.633 58.100 -0.228 0.000 1.114 133 Y CB 1.489 39.861 38.460 -0.146 0.000 1.182 133 Y HN 0.443 nan 8.280 nan 0.000 0.463 134 S N 5.488 120.802 115.700 -0.643 0.000 2.521 134 S HA 0.808 5.278 4.470 -0.000 0.000 0.295 134 S C -2.054 172.196 174.600 -0.583 0.000 1.098 134 S CA -0.580 57.349 58.200 -0.452 0.000 0.999 134 S CB 1.325 64.345 63.200 -0.301 0.000 1.034 134 S HN 0.743 nan 8.310 nan 0.000 0.483 135 V N 3.905 123.597 119.914 -0.370 0.000 2.932 135 V HA 0.724 4.844 4.120 -0.000 0.000 0.307 135 V C -1.091 174.776 176.094 -0.378 0.000 1.147 135 V CA -0.222 61.846 62.300 -0.386 0.000 0.951 135 V CB 2.475 34.056 31.823 -0.404 0.000 1.031 135 V HN 0.948 nan 8.190 nan 0.000 0.426 136 T N 6.920 121.287 114.554 -0.313 0.000 2.786 136 T HA 0.611 4.961 4.350 -0.000 0.000 0.283 136 T C -0.592 173.989 174.700 -0.198 0.000 0.992 136 T CA -0.003 61.976 62.100 -0.201 0.000 0.954 136 T CB 0.735 69.563 68.868 -0.067 0.000 0.934 136 T HN 0.402 nan 8.240 nan 0.000 0.440 137 F N 1.953 121.975 119.950 0.120 0.000 2.403 137 F HA 0.265 4.792 4.527 -0.000 0.000 0.320 137 F C 1.929 177.798 175.800 0.115 0.000 1.176 137 F CA -0.754 57.339 58.000 0.156 0.000 1.206 137 F CB 0.409 39.498 39.000 0.148 0.000 1.235 137 F HN 0.416 nan 8.300 nan 0.000 0.565 138 N N 1.067 119.952 118.700 0.309 0.000 2.272 138 N HA -0.197 4.543 4.740 -0.000 0.000 0.185 138 N C 1.240 176.842 175.510 0.153 0.000 1.014 138 N CA 1.222 54.375 53.050 0.171 0.000 0.870 138 N CB -0.628 37.935 38.487 0.126 0.000 0.975 138 N HN 0.566 nan 8.380 nan 0.000 0.433 139 N N -0.343 118.471 118.700 0.190 0.000 2.521 139 N HA 0.037 4.777 4.740 -0.000 0.000 0.188 139 N C 1.116 176.714 175.510 0.148 0.000 1.146 139 N CA 0.967 54.105 53.050 0.146 0.000 0.893 139 N CB -0.231 38.335 38.487 0.131 0.000 0.975 139 N HN 0.230 nan 8.380 nan 0.000 0.451 140 G N -0.339 108.560 108.800 0.166 0.000 2.213 140 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.236 140 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.236 140 G C -0.182 174.806 174.900 0.147 0.000 0.991 140 G CA 0.132 45.310 45.100 0.130 0.000 0.629 140 G HN 0.499 nan 8.290 nan 0.000 0.517 141 L N 1.514 122.869 121.223 0.220 0.000 2.462 141 L HA 0.510 4.850 4.340 -0.000 0.000 0.272 141 L C 0.438 177.445 176.870 0.229 0.000 1.166 141 L CA -0.138 54.833 54.840 0.219 0.000 0.880 141 L CB 0.872 43.093 42.059 0.270 0.000 1.142 141 L HN 0.302 nan 8.230 nan 0.000 0.473 142 Q N 4.243 124.087 119.800 0.073 0.000 2.312 142 Q HA 0.413 4.753 4.340 -0.000 0.000 0.263 142 Q C -1.294 174.692 176.000 -0.022 0.000 0.995 142 Q CA -0.371 55.438 55.803 0.009 0.000 0.853 142 Q CB 2.088 30.806 28.738 -0.034 0.000 1.300 142 Q HN 0.716 nan 8.270 nan 0.000 0.448 143 T N 1.220 115.757 114.554 -0.028 0.000 2.916 143 T HA 0.677 5.027 4.350 -0.000 0.000 0.305 143 T C -1.489 173.119 174.700 -0.153 0.000 1.119 143 T CA -0.223 61.840 62.100 -0.061 0.000 1.008 143 T CB 1.268 70.156 68.868 0.032 0.000 1.129 143 T HN 0.692 nan 8.240 nan 0.000 0.480 144 S N 3.568 119.152 115.700 -0.193 0.000 2.588 144 S HA 0.870 5.340 4.470 -0.000 0.000 0.275 144 S C -1.321 173.036 174.600 -0.405 0.000 1.130 144 S CA -0.898 57.144 58.200 -0.263 0.000 0.855 144 S CB 1.309 64.388 63.200 -0.201 0.000 1.116 144 S HN 1.099 nan 8.310 nan 0.000 0.472 145 L N -0.671 120.252 121.223 -0.499 0.000 2.434 145 L HA 0.974 5.314 4.340 -0.000 0.000 0.260 145 L C -0.896 175.702 176.870 -0.454 0.000 0.983 145 L CA -0.714 53.668 54.840 -0.763 0.000 0.820 145 L CB 2.025 43.189 42.059 -1.491 0.000 1.361 145 L HN 0.616 nan 8.230 nan 0.000 0.410 146 S N 0.783 116.239 115.700 -0.406 0.000 2.548 146 S HA 0.917 5.387 4.470 -0.000 0.000 0.286 146 S C -0.512 173.951 174.600 -0.228 0.000 1.098 146 S CA -0.467 57.606 58.200 -0.211 0.000 0.930 146 S CB 1.990 65.135 63.200 -0.090 0.000 1.070 146 S HN 1.018 nan 8.310 nan 0.000 0.480 147 A N 1.727 124.498 122.820 -0.082 0.000 2.337 147 A HA 0.863 5.183 4.320 -0.000 0.000 0.331 147 A C 0.400 178.020 177.584 0.059 0.000 1.137 147 A CA -0.635 51.387 52.037 -0.024 0.000 0.807 147 A CB 0.733 19.825 19.000 0.153 0.000 1.250 147 A HN 0.801 nan 8.150 nan 0.000 0.468 148 T N -1.478 113.117 114.554 0.068 0.000 2.892 148 T HA 0.418 4.768 4.350 -0.000 0.000 0.280 148 T C 1.286 176.077 174.700 0.152 0.000 1.004 148 T CA 0.349 62.504 62.100 0.092 0.000 0.950 148 T CB 0.509 69.412 68.868 0.060 0.000 1.309 148 T HN 0.403 nan 8.240 nan 0.000 0.592 149 S N 0.156 115.939 115.700 0.138 0.000 2.370 149 S HA -0.065 4.405 4.470 -0.000 0.000 0.226 149 S C 1.850 176.564 174.600 0.190 0.000 1.033 149 S CA 1.187 59.480 58.200 0.155 0.000 1.011 149 S CB -0.351 62.926 63.200 0.128 0.000 0.852 149 S HN 0.646 nan 8.310 nan 0.000 0.457 150 R N -0.335 120.277 120.500 0.187 0.000 2.487 150 R HA 0.307 4.647 4.340 -0.000 0.000 0.272 150 R C 0.712 177.176 176.300 0.273 0.000 0.928 150 R CA 0.117 56.343 56.100 0.211 0.000 1.077 150 R CB 1.107 31.503 30.300 0.161 0.000 1.265 150 R HN 0.312 nan 8.270 nan 0.000 0.537 151 G N 0.087 109.031 108.800 0.240 0.000 3.015 151 G HA2 0.789 4.749 3.960 -0.000 0.000 0.281 151 G HA3 0.789 4.749 3.960 -0.000 0.000 0.281 151 G C -1.616 173.339 174.900 0.092 0.000 1.386 151 G CA -0.378 44.853 45.100 0.219 0.000 0.959 151 G HN 0.132 nan 8.290 nan 0.000 0.522 152 A N -1.417 121.346 122.820 -0.096 0.000 2.606 152 A HA 0.777 5.097 4.320 -0.000 0.000 0.293 152 A C -1.653 175.763 177.584 -0.281 0.000 1.082 152 A CA -0.479 51.307 52.037 -0.418 0.000 0.685 152 A CB 1.830 20.060 19.000 -1.284 0.000 1.284 152 A HN 1.380 nan 8.150 nan 0.000 0.408 153 V N 1.052 120.784 119.914 -0.303 0.000 2.638 153 V HA 0.567 4.687 4.120 -0.000 0.000 0.306 153 V C -1.093 174.868 176.094 -0.221 0.000 1.052 153 V CA -0.286 61.922 62.300 -0.154 0.000 0.885 153 V CB 1.443 33.191 31.823 -0.126 0.000 0.999 153 V HN 0.754 nan 8.190 nan 0.000 0.424 154 F N 2.467 122.268 119.950 -0.247 0.000 2.470 154 F HA 0.632 5.159 4.527 -0.000 0.000 0.329 154 F C 0.535 176.236 175.800 -0.165 0.000 1.072 154 F CA -0.589 57.270 58.000 -0.235 0.000 0.989 154 F CB 1.769 40.632 39.000 -0.229 0.000 1.193 154 F HN 0.602 nan 8.300 nan 0.000 0.481 155 E N 0.417 120.623 120.200 0.010 0.000 2.256 155 E HA 0.747 5.097 4.350 -0.000 0.000 0.267 155 E C -1.837 174.731 176.600 -0.054 0.000 0.892 155 E CA -0.973 55.416 56.400 -0.020 0.000 0.775 155 E CB 2.439 32.108 29.700 -0.051 0.000 1.207 155 E HN 0.306 nan 8.360 nan 0.000 0.420 156 V N 1.890 121.732 119.914 -0.121 0.000 2.577 156 V HA 0.342 4.462 4.120 -0.000 0.000 0.303 156 V C -0.737 175.160 176.094 -0.328 0.000 1.042 156 V CA -0.874 61.256 62.300 -0.283 0.000 0.872 156 V CB 2.002 33.514 31.823 -0.518 0.000 0.998 156 V HN 0.774 nan 8.190 nan 0.000 0.423 157 S N 4.879 120.417 115.700 -0.271 0.000 2.461 157 S HA 0.650 5.120 4.470 -0.000 0.000 0.322 157 S C -0.555 173.940 174.600 -0.175 0.000 1.063 157 S CA -0.319 57.785 58.200 -0.160 0.000 1.120 157 S CB 0.225 63.389 63.200 -0.060 0.000 0.968 157 S HN 0.443 nan 8.310 nan 0.000 0.467 158 F N 4.265 124.227 119.950 0.019 0.000 2.399 158 F HA 0.370 4.897 4.527 -0.000 0.000 0.342 158 F C -1.576 174.245 175.800 0.034 0.000 1.106 158 F CA -2.017 56.004 58.000 0.035 0.000 1.196 158 F CB 0.101 39.107 39.000 0.010 0.000 1.163 158 F HN 0.311 nan 8.300 nan 0.000 0.547 159 P HA 0.200 nan 4.420 nan 0.000 0.271 159 P C -0.444 176.932 177.300 0.126 0.000 1.218 159 P CA -0.193 62.998 63.100 0.151 0.000 0.780 159 P CB 0.175 31.956 31.700 0.136 0.000 0.901 160 E N 0.767 121.017 120.200 0.084 0.000 2.404 160 E HA 0.363 4.713 4.350 -0.000 0.000 0.261 160 E C 1.166 177.790 176.600 0.039 0.000 1.074 160 E CA 0.246 56.679 56.400 0.056 0.000 0.917 160 E CB -0.752 28.974 29.700 0.043 0.000 0.965 160 E HN 0.679 nan 8.360 nan 0.000 0.433 161 K N 0.141 120.552 120.400 0.018 0.000 3.472 161 K HA -0.142 4.178 4.320 -0.000 0.000 0.315 161 K C 0.224 176.826 176.600 0.002 0.000 1.320 161 K CA 1.937 58.228 56.287 0.006 0.000 0.962 161 K CB -2.294 30.213 32.500 0.013 0.000 1.251 161 K HN 0.756 nan 8.250 nan 0.000 0.443 162 E N 1.140 121.343 120.200 0.005 0.000 2.221 162 E HA 0.436 4.786 4.350 -0.000 0.000 0.268 162 E C -0.764 175.795 176.600 -0.067 0.000 0.933 162 E CA -0.998 55.402 56.400 0.000 0.000 0.809 162 E CB 1.200 30.930 29.700 0.050 0.000 1.190 162 E HN 0.402 nan 8.360 nan 0.000 0.406 163 D N 1.610 121.954 120.400 -0.092 0.000 2.449 163 D HA 0.007 4.647 4.640 -0.000 0.000 0.236 163 D C -0.185 175.876 176.300 -0.398 0.000 1.149 163 D CA 0.636 54.476 54.000 -0.268 0.000 0.878 163 D CB 0.564 41.222 40.800 -0.237 0.000 1.198 163 D HN 0.176 nan 8.370 nan 0.000 0.446 164 Q N 1.245 120.621 119.800 -0.708 0.000 2.341 164 Q HA 0.434 4.774 4.340 -0.000 0.000 0.268 164 Q C -1.081 174.493 176.000 -0.711 0.000 1.013 164 Q CA -0.619 54.653 55.803 -0.885 0.000 0.798 164 Q CB 1.409 29.345 28.738 -1.336 0.000 1.253 164 Q HN 0.393 nan 8.270 nan 0.000 0.457 165 Y N -0.057 120.270 120.300 0.045 0.000 2.570 165 Y HA 0.665 5.215 4.550 -0.000 0.000 0.345 165 Y C -0.291 175.855 175.900 0.410 0.000 1.014 165 Y CA -1.184 57.041 58.100 0.208 0.000 1.063 165 Y CB 1.727 40.252 38.460 0.109 0.000 1.272 165 Y HN 0.244 nan 8.280 nan 0.000 0.477 166 V N 2.529 122.793 119.914 0.583 0.000 2.531 166 V HA 0.484 4.604 4.120 -0.000 0.000 0.301 166 V C -0.893 175.429 176.094 0.381 0.000 1.034 166 V CA -0.893 61.695 62.300 0.480 0.000 0.865 166 V CB 1.810 33.953 31.823 0.533 0.000 0.995 166 V HN 0.544 nan 8.190 nan 0.000 0.424 167 V N 5.384 125.481 119.914 0.304 0.000 2.427 167 V HA 0.476 4.596 4.120 -0.000 0.000 0.286 167 V C -0.144 176.108 176.094 0.262 0.000 1.034 167 V CA -0.577 61.872 62.300 0.249 0.000 0.893 167 V CB 1.957 33.871 31.823 0.152 0.000 0.982 167 V HN 0.603 nan 8.190 nan 0.000 0.452 168 V N 3.962 124.035 119.914 0.265 0.000 2.370 168 V HA 0.392 4.512 4.120 -0.000 0.000 0.283 168 V C -0.302 175.939 176.094 0.246 0.000 1.023 168 V CA -0.428 62.041 62.300 0.281 0.000 0.857 168 V CB 1.693 33.697 31.823 0.302 0.000 0.985 168 V HN 0.894 nan 8.190 nan 0.000 0.443 169 D N 4.241 124.804 120.400 0.271 0.000 2.414 169 D HA 0.471 5.111 4.640 -0.000 0.000 0.232 169 D C 0.487 176.995 176.300 0.346 0.000 1.070 169 D CA -0.405 53.770 54.000 0.291 0.000 0.839 169 D CB 2.147 43.133 40.800 0.310 0.000 1.079 169 D HN 0.561 nan 8.370 nan 0.000 0.521 170 A N 4.144 127.166 122.820 0.335 0.000 2.278 170 A HA 0.198 4.518 4.320 -0.000 0.000 0.212 170 A C 0.328 178.201 177.584 0.482 0.000 1.213 170 A CA -0.049 52.213 52.037 0.374 0.000 0.840 170 A CB -0.666 18.564 19.000 0.383 0.000 0.866 170 A HN 0.747 nan 8.150 nan 0.000 0.489 171 Y N -1.020 119.475 120.300 0.325 0.000 2.500 171 Y HA -0.306 4.244 4.550 -0.000 0.000 0.037 171 Y C 0.537 176.638 175.900 0.335 0.000 1.695 171 Y CA 0.502 58.736 58.100 0.222 0.000 1.424 171 Y CB -0.338 38.136 38.460 0.022 0.000 2.069 171 Y HN 0.676 nan 8.280 nan 0.000 0.253 172 N N 0.760 119.567 118.700 0.178 0.000 2.566 172 N HA 0.559 5.299 4.740 -0.000 0.000 0.299 172 N C 0.916 176.650 175.510 0.373 0.000 1.277 172 N CA 0.012 53.196 53.050 0.224 0.000 0.965 172 N CB 0.950 39.416 38.487 -0.035 0.000 1.142 172 N HN 1.628 nan 8.380 nan 0.000 0.596 173 G N -3.141 105.836 108.800 0.295 0.000 2.143 173 G HA2 0.161 4.121 3.960 -0.000 0.000 0.249 173 G HA3 0.161 4.121 3.960 -0.000 0.000 0.249 173 G C 0.581 175.618 174.900 0.228 0.000 0.981 173 G CA 0.524 45.791 45.100 0.277 0.000 0.665 173 G HN 1.814 nan 8.290 nan 0.000 0.528 174 G N -1.428 107.499 108.800 0.212 0.000 2.943 174 G HA2 0.445 4.405 3.960 -0.000 0.000 0.250 174 G HA3 0.445 4.405 3.960 -0.000 0.000 0.250 174 G C 0.078 175.074 174.900 0.160 0.000 0.996 174 G CA 0.736 45.933 45.100 0.161 0.000 1.248 174 G HN 2.202 nan 8.290 nan 0.000 0.589 175 S N -0.552 115.249 115.700 0.167 0.000 2.726 175 S HA 0.960 5.430 4.470 -0.000 0.000 0.308 175 S C 0.105 174.764 174.600 0.099 0.000 1.115 175 S CA 0.076 58.371 58.200 0.158 0.000 0.965 175 S CB 2.602 65.948 63.200 0.244 0.000 1.145 175 S HN 2.173 nan 8.310 nan 0.000 0.532 176 S N -0.470 115.273 115.700 0.072 0.000 2.550 176 S HA 0.765 5.235 4.470 -0.000 0.000 0.270 176 S C -1.283 173.315 174.600 -0.004 0.000 1.145 176 S CA -0.943 57.272 58.200 0.024 0.000 0.852 176 S CB 0.628 63.824 63.200 -0.007 0.000 1.119 176 S HN 0.792 nan 8.310 nan 0.000 0.465 177 I N 1.086 121.651 120.570 -0.008 0.000 2.722 177 I HA 0.516 4.686 4.170 -0.000 0.000 0.295 177 I C -0.955 175.133 176.117 -0.048 0.000 1.161 177 I CA -0.572 60.716 61.300 -0.020 0.000 1.032 177 I CB 2.838 40.881 38.000 0.072 0.000 1.244 177 I HN 0.685 nan 8.210 nan 0.000 0.421 178 T N 6.029 120.533 114.554 -0.083 0.000 2.840 178 T HA 0.586 4.936 4.350 -0.000 0.000 0.287 178 T C -0.308 174.342 174.700 -0.083 0.000 0.991 178 T CA -0.341 61.709 62.100 -0.084 0.000 0.964 178 T CB 1.102 69.908 68.868 -0.103 0.000 0.954 178 T HN 0.250 nan 8.240 nan 0.000 0.438 179 I N 2.896 123.405 120.570 -0.102 0.000 2.353 179 I HA 0.334 4.504 4.170 -0.000 0.000 0.293 179 I C 0.443 176.435 176.117 -0.209 0.000 0.992 179 I CA -0.533 60.679 61.300 -0.146 0.000 1.268 179 I CB 1.189 39.054 38.000 -0.224 0.000 1.387 179 I HN 0.573 nan 8.210 nan 0.000 0.478 180 E N 7.897 127.992 120.200 -0.175 0.000 2.546 180 E HA 0.191 4.541 4.350 -0.000 0.000 0.227 180 E C -1.862 174.617 176.600 -0.202 0.000 1.009 180 E CA -1.596 54.694 56.400 -0.184 0.000 0.813 180 E CB 1.049 30.679 29.700 -0.116 0.000 1.269 180 E HN 0.424 nan 8.360 nan 0.000 0.432 181 P HA -0.202 nan 4.420 nan 0.000 0.217 181 P C 0.664 177.871 177.300 -0.154 0.000 1.150 181 P CA 1.274 64.159 63.100 -0.357 0.000 0.832 181 P CB 0.407 31.669 31.700 -0.730 0.000 0.787 182 E N 0.656 120.779 120.200 -0.129 0.000 2.150 182 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 182 E C 1.610 178.198 176.600 -0.021 0.000 0.985 182 E CA 1.148 57.517 56.400 -0.052 0.000 0.814 182 E CB -0.862 28.810 29.700 -0.046 0.000 0.752 182 E HN 0.366 nan 8.360 nan 0.000 0.466 183 K N 0.314 120.696 120.400 -0.029 0.000 2.374 183 K HA 0.241 4.561 4.320 -0.000 0.000 0.196 183 K C -0.266 176.362 176.600 0.046 0.000 1.023 183 K CA -0.130 56.157 56.287 -0.001 0.000 1.103 183 K CB 0.303 32.787 32.500 -0.026 0.000 0.848 183 K HN -0.033 nan 8.250 nan 0.000 0.528 184 R N 0.779 121.322 120.500 0.072 0.000 3.525 184 R HA -0.165 4.175 4.340 -0.000 0.000 0.276 184 R C -0.714 175.758 176.300 0.286 0.000 1.116 184 R CA 0.447 56.671 56.100 0.206 0.000 0.745 184 R CB -2.177 28.284 30.300 0.267 0.000 1.185 184 R HN 0.179 nan 8.270 nan 0.000 0.454 185 L N 0.068 121.378 121.223 0.145 0.000 2.342 185 L HA 0.723 5.063 4.340 -0.000 0.000 0.271 185 L C 0.018 176.958 176.870 0.116 0.000 1.008 185 L CA -1.261 53.641 54.840 0.102 0.000 0.818 185 L CB 2.336 44.375 42.059 -0.033 0.000 1.296 185 L HN -0.198 nan 8.230 nan 0.000 0.427 186 V N 2.386 122.386 119.914 0.145 0.000 2.638 186 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 186 V C -0.505 175.596 176.094 0.012 0.000 1.052 186 V CA -0.807 61.563 62.300 0.118 0.000 0.885 186 V CB 2.162 34.159 31.823 0.289 0.000 0.999 186 V HN 0.687 nan 8.190 nan 0.000 0.424 187 K N 2.222 122.555 120.400 -0.112 0.000 2.340 187 K HA 0.925 5.245 4.320 -0.000 0.000 0.244 187 K C -0.063 176.211 176.600 -0.543 0.000 0.973 187 K CA -0.652 55.449 56.287 -0.310 0.000 0.828 187 K CB 2.658 35.003 32.500 -0.258 0.000 1.226 187 K HN 0.925 nan 8.250 nan 0.000 0.437 188 G N -0.334 107.746 108.800 -1.201 0.000 2.548 188 G HA2 0.642 4.602 3.960 -0.000 0.000 0.301 188 G HA3 0.642 4.602 3.960 -0.000 0.000 0.301 188 G C -1.969 172.241 174.900 -1.150 0.000 1.349 188 G CA -0.708 43.684 45.100 -1.180 0.000 0.792 188 G HN 0.593 nan 8.290 nan 0.000 0.481 189 A N -0.440 122.090 122.820 -0.483 0.000 2.374 189 A HA 0.834 5.154 4.320 -0.000 0.000 0.305 189 A C -0.397 177.209 177.584 0.036 0.000 1.053 189 A CA -0.118 51.769 52.037 -0.251 0.000 0.726 189 A CB 1.920 20.797 19.000 -0.205 0.000 1.229 189 A HN 1.418 nan 8.150 nan 0.000 0.431 190 T N 0.970 115.589 114.554 0.109 0.000 2.823 190 T HA 0.547 4.897 4.350 -0.000 0.000 0.279 190 T C 0.506 175.267 174.700 0.102 0.000 0.998 190 T CA -0.480 61.746 62.100 0.210 0.000 0.994 190 T CB 0.617 69.677 68.868 0.319 0.000 0.960 190 T HN 0.645 nan 8.240 nan 0.000 0.448 191 R N 2.502 123.137 120.500 0.226 0.000 2.476 191 R HA 0.136 4.476 4.340 -0.000 0.000 0.276 191 R C -0.301 176.304 176.300 0.509 0.000 0.941 191 R CA -0.474 55.806 56.100 0.301 0.000 1.088 191 R CB 0.282 30.706 30.300 0.206 0.000 1.216 191 R HN 0.687 nan 8.270 nan 0.000 0.533 192 Y N 3.342 123.851 120.300 0.349 0.000 2.904 192 Y HA -0.174 4.376 4.550 -0.000 0.000 0.336 192 Y C 0.089 176.172 175.900 0.306 0.000 1.263 192 Y CA 0.320 58.605 58.100 0.308 0.000 1.547 192 Y CB 0.208 38.856 38.460 0.313 0.000 1.272 192 Y HN 0.281 nan 8.280 nan 0.000 0.596 193 N N 1.658 120.038 118.700 -0.533 0.000 3.116 193 N HA 0.301 5.041 4.740 -0.000 0.000 0.244 193 N C -1.710 173.443 175.510 -0.595 0.000 1.485 193 N CA -1.028 51.735 53.050 -0.478 0.000 0.884 193 N CB 0.794 39.047 38.487 -0.390 0.000 1.415 193 N HN 0.497 nan 8.380 nan 0.000 0.524 194 N N -0.686 117.803 118.700 -0.353 0.000 2.401 194 N HA 0.344 5.084 4.740 -0.000 0.000 0.264 194 N C -0.321 175.070 175.510 -0.198 0.000 1.238 194 N CA 0.424 53.331 53.050 -0.240 0.000 0.889 194 N CB 0.809 39.213 38.487 -0.139 0.000 1.196 194 N HN 0.901 nan 8.380 nan 0.000 0.511 195 G N -0.585 108.074 108.800 -0.234 0.000 2.541 195 G HA2 0.110 4.070 3.960 -0.000 0.000 0.686 195 G HA3 0.110 4.070 3.960 -0.000 0.000 0.686 195 G C 0.344 175.074 174.900 -0.283 0.000 1.286 195 G CA -0.190 44.784 45.100 -0.210 0.000 0.894 195 G HN 0.415 nan 8.290 nan 0.000 0.575 196 G N -2.419 106.237 108.800 -0.241 0.000 2.198 196 G HA2 0.269 4.229 3.960 -0.000 0.000 0.260 196 G HA3 0.269 4.229 3.960 -0.000 0.000 0.260 196 G C 0.866 175.525 174.900 -0.402 0.000 1.025 196 G CA 1.520 46.444 45.100 -0.293 0.000 0.769 196 G HN 2.464 nan 8.290 nan 0.000 0.507 197 V N -3.293 116.420 119.914 -0.334 0.000 2.823 197 V HA 0.939 5.059 4.120 -0.000 0.000 0.312 197 V C -1.874 174.172 176.094 -0.079 0.000 1.072 197 V CA -2.589 59.520 62.300 -0.319 0.000 0.937 197 V CB 1.975 33.430 31.823 -0.614 0.000 1.013 197 V HN 0.071 nan 8.190 nan 0.000 0.430 198 P HA 0.373 nan 4.420 nan 0.000 0.274 198 P C 0.008 177.427 177.300 0.197 0.000 1.256 198 P CA -0.244 62.938 63.100 0.136 0.000 0.795 198 P CB 0.565 32.377 31.700 0.187 0.000 1.038 199 D N 0.180 120.678 120.400 0.163 0.000 2.218 199 D HA -0.128 4.512 4.640 -0.000 0.000 0.204 199 D C 1.035 177.455 176.300 0.199 0.000 0.976 199 D CA 1.217 55.311 54.000 0.155 0.000 0.853 199 D CB -0.485 40.385 40.800 0.116 0.000 0.939 199 D HN 0.463 nan 8.370 nan 0.000 0.481 200 N N 0.283 119.132 118.700 0.248 0.000 2.314 200 N HA -0.089 4.651 4.740 -0.000 0.000 0.200 200 N C 0.112 175.774 175.510 0.253 0.000 1.135 200 N CA -0.462 52.732 53.050 0.239 0.000 0.835 200 N CB -0.925 37.708 38.487 0.243 0.000 0.989 200 N HN 0.030 nan 8.380 nan 0.000 0.478 201 F N 2.074 122.121 119.950 0.162 0.000 2.607 201 F HA 0.348 4.875 4.527 -0.000 0.000 0.374 201 F C 0.178 175.959 175.800 -0.033 0.000 1.104 201 F CA -0.204 57.849 58.000 0.088 0.000 1.296 201 F CB 0.273 39.351 39.000 0.129 0.000 1.085 201 F HN 0.286 nan 8.300 nan 0.000 0.584 202 A N 4.647 126.702 122.820 -1.275 0.000 2.599 202 A HA 0.437 4.757 4.320 -0.000 0.000 0.294 202 A C -1.753 175.058 177.584 -1.290 0.000 1.055 202 A CA -0.944 50.337 52.037 -1.260 0.000 0.683 202 A CB 0.996 19.404 19.000 -0.987 0.000 1.278 202 A HN 0.808 nan 8.150 nan 0.000 0.412 203 N N 0.160 118.302 118.700 -0.931 0.000 2.408 203 N HA 0.637 5.377 4.740 -0.000 0.000 0.280 203 N C -1.764 173.394 175.510 -0.586 0.000 1.002 203 N CA -0.154 52.459 53.050 -0.728 0.000 0.907 203 N CB 0.534 38.772 38.487 -0.415 0.000 1.161 203 N HN 0.453 nan 8.380 nan 0.000 0.488 204 Y N 3.878 124.023 120.300 -0.259 0.000 2.353 204 Y HA 0.376 4.926 4.550 0.000 0.000 0.340 204 Y C -0.414 175.393 175.900 -0.155 0.000 0.972 204 Y CA -0.834 57.121 58.100 -0.243 0.000 1.157 204 Y CB 0.372 38.693 38.460 -0.232 0.000 1.157 204 Y HN 0.372 nan 8.280 nan 0.000 0.495 205 F N 2.014 121.896 119.950 -0.114 0.000 2.579 205 F HA 0.925 5.452 4.527 -0.000 0.000 0.324 205 F C -0.707 175.009 175.800 -0.141 0.000 1.058 205 F CA -1.838 56.067 58.000 -0.159 0.000 0.944 205 F CB 1.755 40.452 39.000 -0.505 0.000 1.245 205 F HN 0.379 nan 8.300 nan 0.000 0.477 206 M N 3.446 123.144 119.600 0.164 0.000 2.569 206 M HA 0.776 5.256 4.480 -0.000 0.000 0.279 206 M C -1.680 174.705 176.300 0.141 0.000 1.253 206 M CA -0.837 54.485 55.300 0.036 0.000 0.867 206 M CB 3.138 35.656 32.600 -0.138 0.000 1.727 206 M HN 0.985 nan 8.290 nan 0.000 0.467 207 M N 0.133 119.756 119.600 0.039 0.000 2.520 207 M HA 0.693 5.173 4.480 -0.000 0.000 0.280 207 M C -2.063 174.155 176.300 -0.137 0.000 1.232 207 M CA -0.458 54.848 55.300 0.010 0.000 0.892 207 M CB 2.717 35.299 32.600 -0.030 0.000 1.728 207 M HN 0.946 nan 8.290 nan 0.000 0.475 208 E N 1.729 121.840 120.200 -0.149 0.000 2.266 208 E HA 0.684 5.034 4.350 -0.000 0.000 0.268 208 E C -2.164 174.284 176.600 -0.254 0.000 0.879 208 E CA -0.606 55.743 56.400 -0.085 0.000 0.762 208 E CB 2.277 32.049 29.700 0.119 0.000 1.199 208 E HN 0.661 nan 8.360 nan 0.000 0.422 209 F N 1.397 121.448 119.950 0.168 0.000 2.480 209 F HA 0.194 4.721 4.527 -0.000 0.000 0.329 209 F C 1.536 177.423 175.800 0.146 0.000 1.091 209 F CA -0.514 57.580 58.000 0.157 0.000 0.972 209 F CB 2.118 41.280 39.000 0.269 0.000 1.150 209 F HN 0.579 nan 8.300 nan 0.000 0.467 210 S N -0.245 115.630 115.700 0.292 0.000 2.436 210 S HA 0.014 4.484 4.470 -0.000 0.000 0.228 210 S C 0.199 174.860 174.600 0.103 0.000 1.014 210 S CA 0.700 59.010 58.200 0.184 0.000 0.950 210 S CB -0.531 62.781 63.200 0.186 0.000 0.784 210 S HN 0.638 nan 8.310 nan 0.000 0.504 211 H N 1.524 120.705 119.070 0.186 0.000 2.616 211 H HA 0.610 5.166 4.556 0.000 0.000 0.353 211 H C -2.850 172.676 175.328 0.330 0.000 1.170 211 H CA -1.861 54.314 56.048 0.211 0.000 1.212 211 H CB 0.608 30.473 29.762 0.170 0.000 1.653 211 H HN 0.063 nan 8.280 nan 0.000 0.537 212 P HA -0.027 nan 4.420 nan 0.000 0.265 212 P C -0.617 176.807 177.300 0.207 0.000 1.193 212 P CA -0.036 63.200 63.100 0.228 0.000 0.765 212 P CB 0.448 32.235 31.700 0.146 0.000 0.823 213 V N 5.410 125.351 119.914 0.045 0.000 2.427 213 V HA 0.035 4.155 4.120 -0.000 0.000 0.268 213 V C 1.810 177.843 176.094 -0.102 0.000 1.046 213 V CA 0.240 62.407 62.300 -0.220 0.000 0.970 213 V CB 0.101 31.793 31.823 -0.218 0.000 1.001 213 V HN 0.529 nan 8.190 nan 0.000 0.476 214 I N 1.147 121.620 120.570 -0.162 0.000 3.228 214 I HA 0.451 4.621 4.170 -0.000 0.000 0.279 214 I C 0.677 176.788 176.117 -0.010 0.000 1.221 214 I CA 0.658 61.928 61.300 -0.050 0.000 1.458 214 I CB 0.448 38.411 38.000 -0.061 0.000 1.105 214 I HN 0.594 nan 8.210 nan 0.000 0.445 215 E N 0.383 120.564 120.200 -0.032 0.000 2.423 215 E HA 0.554 4.904 4.350 -0.000 0.000 0.280 215 E C -1.660 174.894 176.600 -0.077 0.000 1.030 215 E CA -0.756 55.622 56.400 -0.037 0.000 0.812 215 E CB 1.600 31.328 29.700 0.046 0.000 1.313 215 E HN 0.268 nan 8.360 nan 0.000 0.456 216 Y N -0.962 119.171 120.300 -0.278 0.000 2.677 216 Y HA 0.888 5.438 4.550 -0.000 0.000 0.334 216 Y C -0.230 175.167 175.900 -0.837 0.000 1.196 216 Y CA -0.660 57.005 58.100 -0.726 0.000 1.059 216 Y CB 1.138 39.328 38.460 -0.450 0.000 1.315 216 Y HN 0.698 nan 8.280 nan 0.000 0.455 217 G N -0.157 108.100 108.800 -0.906 0.000 2.550 217 G HA2 0.589 4.549 3.960 -0.000 0.000 0.293 217 G HA3 0.589 4.549 3.960 -0.000 0.000 0.293 217 G C -1.510 173.309 174.900 -0.136 0.000 1.402 217 G CA -0.407 44.459 45.100 -0.389 0.000 0.784 217 G HN 1.237 nan 8.290 nan 0.000 0.482 218 T N -2.731 111.821 114.554 -0.003 0.000 2.916 218 T HA 0.743 5.093 4.350 -0.000 0.000 0.292 218 T C -1.616 173.155 174.700 0.118 0.000 1.064 218 T CA -0.844 61.287 62.100 0.052 0.000 1.011 218 T CB 2.376 71.255 68.868 0.018 0.000 1.152 218 T HN 1.330 nan 8.240 nan 0.000 0.510 219 Y N 2.152 122.417 120.300 -0.057 0.000 2.396 219 Y HA 0.484 5.034 4.550 -0.000 0.000 0.332 219 Y C -0.343 175.483 175.900 -0.123 0.000 1.034 219 Y CA -1.270 56.774 58.100 -0.093 0.000 1.057 219 Y CB 1.798 40.189 38.460 -0.114 0.000 1.220 219 Y HN 0.825 nan 8.280 nan 0.000 0.440 220 N N 2.813 121.172 118.700 -0.568 0.000 2.275 220 N HA 0.287 5.027 4.740 -0.000 0.000 0.236 220 N C 0.975 176.147 175.510 -0.564 0.000 1.154 220 N CA 0.311 53.101 53.050 -0.432 0.000 0.866 220 N CB 0.780 39.136 38.487 -0.217 0.000 1.093 220 N HN 1.103 nan 8.380 nan 0.000 0.515 221 G N -0.216 107.859 108.800 -1.208 0.000 2.195 221 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.246 221 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.246 221 G C 0.285 174.941 174.900 -0.408 0.000 0.984 221 G CA 0.517 45.223 45.100 -0.656 0.000 0.633 221 G HN 0.436 nan 8.290 nan 0.000 0.525 222 D N -0.830 119.288 120.400 -0.470 0.000 2.680 222 D HA 0.210 4.850 4.640 -0.000 0.000 0.295 222 D C 0.643 176.917 176.300 -0.044 0.000 1.097 222 D CA 1.447 55.362 54.000 -0.141 0.000 0.952 222 D CB 0.475 41.223 40.800 -0.086 0.000 1.491 222 D HN 0.310 nan 8.370 nan 0.000 0.486 223 T N 1.546 116.034 114.554 -0.110 0.000 2.861 223 T HA 0.445 4.795 4.350 -0.000 0.000 0.287 223 T C -0.713 174.053 174.700 0.110 0.000 1.003 223 T CA -0.564 61.553 62.100 0.028 0.000 0.977 223 T CB 2.406 71.268 68.868 -0.010 0.000 0.996 223 T HN -0.132 nan 8.240 nan 0.000 0.448 224 L N 4.377 125.695 121.223 0.159 0.000 2.281 224 L HA 0.564 4.904 4.340 -0.000 0.000 0.285 224 L C -1.234 175.566 176.870 -0.117 0.000 1.074 224 L CA -0.311 54.569 54.840 0.067 0.000 0.817 224 L CB -0.048 41.979 42.059 -0.053 0.000 1.168 224 L HN 0.584 nan 8.230 nan 0.000 0.434 225 L N 5.949 127.104 121.223 -0.114 0.000 2.305 225 L HA 0.448 4.788 4.340 -0.000 0.000 0.284 225 L C -0.308 176.478 176.870 -0.140 0.000 1.013 225 L CA -0.693 54.083 54.840 -0.106 0.000 0.819 225 L CB 1.060 43.106 42.059 -0.022 0.000 1.227 225 L HN 0.549 nan 8.230 nan 0.000 0.417 226 H N 3.307 122.435 119.070 0.098 0.000 2.511 226 H HA 0.129 4.685 4.556 -0.000 0.000 0.346 226 H C 0.404 175.748 175.328 0.027 0.000 1.128 226 H CA -0.030 56.074 56.048 0.092 0.000 1.342 226 H CB 0.941 30.762 29.762 0.099 0.000 1.470 226 H HN 0.651 nan 8.280 nan 0.000 0.546 227 H N 0.702 119.656 119.070 -0.193 0.000 2.839 227 H HA -0.171 4.385 4.556 -0.000 0.000 0.298 227 H C -0.624 174.640 175.328 -0.107 0.000 1.224 227 H CA 0.498 56.273 56.048 -0.455 0.000 1.144 227 H CB -0.407 29.190 29.762 -0.275 0.000 1.372 227 H HN 0.676 nan 8.280 nan 0.000 0.408 228 Q N -0.871 118.927 119.800 -0.003 0.000 2.433 228 Q HA 0.315 4.655 4.340 -0.000 0.000 0.279 228 Q C 1.187 177.269 176.000 0.136 0.000 1.105 228 Q CA 0.089 55.942 55.803 0.082 0.000 0.815 228 Q CB 2.052 30.812 28.738 0.038 0.000 1.403 228 Q HN 0.377 nan 8.270 nan 0.000 0.435 229 T N -3.663 110.918 114.554 0.045 0.000 2.955 229 T HA 0.198 4.548 4.350 -0.000 0.000 0.251 229 T C -0.187 174.486 174.700 -0.045 0.000 1.002 229 T CA 0.062 62.136 62.100 -0.043 0.000 0.970 229 T CB 0.268 69.062 68.868 -0.124 0.000 1.091 229 T HN 0.408 nan 8.240 nan 0.000 0.495 230 D N 0.526 120.911 120.400 -0.025 0.000 2.629 230 D HA 0.671 5.311 4.640 -0.000 0.000 0.250 230 D C -1.641 174.648 176.300 -0.017 0.000 1.126 230 D CA -0.385 53.598 54.000 -0.028 0.000 0.852 230 D CB 2.823 43.604 40.800 -0.033 0.000 1.335 230 D HN 0.166 nan 8.370 nan 0.000 0.518 231 V N 1.177 121.082 119.914 -0.015 0.000 2.932 231 V HA 0.884 5.004 4.120 -0.000 0.000 0.307 231 V C -1.662 174.428 176.094 -0.008 0.000 1.147 231 V CA -0.434 61.858 62.300 -0.014 0.000 0.951 231 V CB 1.802 33.616 31.823 -0.016 0.000 1.031 231 V HN 0.692 nan 8.190 nan 0.000 0.426 232 A N 4.520 127.336 122.820 -0.007 0.000 2.459 232 A HA 1.077 5.397 4.320 -0.000 0.000 0.296 232 A C -0.488 177.101 177.584 0.008 0.000 1.039 232 A CA 0.192 52.234 52.037 0.008 0.000 0.698 232 A CB 1.686 20.692 19.000 0.009 0.000 1.261 232 A HN 2.461 nan 8.150 nan 0.000 0.405 233 A N 1.364 124.200 122.820 0.028 0.000 2.483 233 A HA 0.614 4.934 4.320 -0.000 0.000 0.294 233 A C 0.348 177.980 177.584 0.080 0.000 1.077 233 A CA 0.384 52.440 52.037 0.031 0.000 0.633 233 A CB -0.162 18.830 19.000 -0.013 0.000 1.318 233 A HN 0.922 nan 8.150 nan 0.000 0.455 234 D N -1.141 119.314 120.400 0.092 0.000 2.116 234 D HA -0.147 4.493 4.640 -0.000 0.000 0.193 234 D C 0.288 176.725 176.300 0.228 0.000 0.998 234 D CA 2.657 56.742 54.000 0.142 0.000 0.836 234 D CB -0.034 40.840 40.800 0.123 0.000 0.951 234 D HN 0.479 nan 8.370 nan 0.000 0.449 235 Y N -0.009 120.315 120.300 0.039 0.000 2.361 235 Y HA 0.479 5.029 4.550 -0.000 0.000 0.337 235 Y C -1.030 174.891 175.900 0.035 0.000 0.965 235 Y CA -1.115 57.016 58.100 0.052 0.000 1.091 235 Y CB 1.379 39.862 38.460 0.039 0.000 1.182 235 Y HN -0.046 nan 8.280 nan 0.000 0.450 236 T N 2.873 117.368 114.554 -0.098 0.000 2.909 236 T HA 0.835 5.185 4.350 -0.000 0.000 0.299 236 T C -1.023 173.589 174.700 -0.147 0.000 1.073 236 T CA -0.570 61.425 62.100 -0.176 0.000 0.999 236 T CB 0.875 69.740 68.868 -0.004 0.000 1.098 236 T HN 0.692 nan 8.240 nan 0.000 0.477 237 C N 1.188 120.460 119.300 -0.046 0.000 3.154 237 C HA 1.058 5.518 4.460 -0.000 0.000 0.312 237 C C -0.013 175.053 174.990 0.127 0.000 1.349 237 C CA -0.576 58.489 59.018 0.077 0.000 1.518 237 C CB 1.356 29.138 27.740 0.070 0.000 1.934 237 C HN 1.386 nan 8.230 nan 0.000 0.462 238 A N 0.246 123.158 122.820 0.152 0.000 2.556 238 A HA 0.911 5.231 4.320 -0.000 0.000 0.294 238 A C -1.580 176.121 177.584 0.195 0.000 1.091 238 A CA -0.445 51.674 52.037 0.137 0.000 0.704 238 A CB 1.175 20.235 19.000 0.100 0.000 1.300 238 A HN 1.401 nan 8.150 nan 0.000 0.406 239 Y N -0.491 119.856 120.300 0.077 0.000 2.536 239 Y HA 0.864 5.414 4.550 0.000 0.000 0.347 239 Y C -1.550 174.392 175.900 0.070 0.000 1.000 239 Y CA -1.601 56.549 58.100 0.083 0.000 1.051 239 Y CB 1.217 39.701 38.460 0.040 0.000 1.259 239 Y HN 0.482 nan 8.280 nan 0.000 0.468 240 L N 3.569 124.875 121.223 0.138 0.000 2.386 240 L HA 0.557 4.897 4.340 -0.000 0.000 0.271 240 L C -0.605 176.191 176.870 -0.124 0.000 0.993 240 L CA -0.830 53.890 54.840 -0.200 0.000 0.819 240 L CB 2.262 43.976 42.059 -0.576 0.000 1.294 240 L HN 0.736 nan 8.230 nan 0.000 0.414 241 K N 1.865 122.083 120.400 -0.303 0.000 2.221 241 K HA 0.728 5.048 4.320 -0.000 0.000 0.258 241 K C -1.498 174.658 176.600 -0.741 0.000 0.944 241 K CA -0.411 55.669 56.287 -0.345 0.000 0.823 241 K CB 1.107 33.553 32.500 -0.089 0.000 1.113 241 K HN 0.335 nan 8.250 nan 0.000 0.431 242 F N 0.679 120.465 119.950 -0.273 0.000 2.639 242 F HA 0.287 4.814 4.527 -0.000 0.000 0.339 242 F C 0.122 175.767 175.800 -0.258 0.000 1.071 242 F CA -0.714 57.155 58.000 -0.219 0.000 0.994 242 F CB 1.534 40.406 39.000 -0.214 0.000 1.341 242 F HN 0.471 nan 8.300 nan 0.000 0.498 243 D N 0.844 121.273 120.400 0.049 0.000 2.879 243 D HA 0.234 4.874 4.640 -0.000 0.000 0.351 243 D C -1.220 175.091 176.300 0.018 0.000 1.239 243 D CA 0.022 54.009 54.000 -0.022 0.000 0.771 243 D CB 0.493 41.288 40.800 -0.008 0.000 1.176 243 D HN 0.120 nan 8.370 nan 0.000 0.496 244 V N 2.677 122.566 119.914 -0.041 0.000 2.529 244 V HA 0.207 4.327 4.120 -0.000 0.000 0.292 244 V C -1.653 174.431 176.094 -0.017 0.000 1.028 244 V CA -0.799 61.440 62.300 -0.102 0.000 1.074 244 V CB 0.595 32.295 31.823 -0.206 0.000 0.958 244 V HN 0.324 nan 8.190 nan 0.000 0.481 245 P HA 0.244 nan 4.420 nan 0.000 0.272 245 P C -0.261 177.064 177.300 0.042 0.000 1.223 245 P CA -0.218 62.912 63.100 0.049 0.000 0.784 245 P CB 0.477 32.224 31.700 0.080 0.000 0.923 246 A N 2.037 124.880 122.820 0.039 0.000 2.565 246 A HA 0.378 4.698 4.320 -0.000 0.000 0.237 246 A C 1.574 179.183 177.584 0.042 0.000 1.053 246 A CA 0.940 53.001 52.037 0.040 0.000 0.755 246 A CB -1.462 17.558 19.000 0.034 0.000 0.980 246 A HN 0.894 nan 8.150 nan 0.000 0.506 247 G N 1.391 110.216 108.800 0.041 0.000 2.253 247 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.251 247 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.251 247 G C 0.115 175.040 174.900 0.042 0.000 0.998 247 G CA 0.621 45.744 45.100 0.037 0.000 0.621 247 G HN 0.887 nan 8.290 nan 0.000 0.524 248 E N 0.208 120.437 120.200 0.049 0.000 2.239 248 E HA 0.668 5.018 4.350 -0.000 0.000 0.261 248 E C -0.177 176.431 176.600 0.014 0.000 1.016 248 E CA -0.686 55.749 56.400 0.058 0.000 0.882 248 E CB 1.130 30.902 29.700 0.120 0.000 1.190 248 E HN 0.272 nan 8.360 nan 0.000 0.415 249 K N 0.982 121.393 120.400 0.018 0.000 2.375 249 K HA 0.375 4.695 4.320 -0.000 0.000 0.249 249 K C -1.111 175.467 176.600 -0.037 0.000 0.942 249 K CA -1.031 55.243 56.287 -0.021 0.000 0.806 249 K CB 1.847 34.342 32.500 -0.008 0.000 1.227 249 K HN 0.207 nan 8.250 nan 0.000 0.430 250 L N 1.438 122.612 121.223 -0.080 0.000 2.331 250 L HA 0.242 4.582 4.340 -0.000 0.000 0.278 250 L C -0.629 176.259 176.870 0.030 0.000 1.106 250 L CA 0.676 55.492 54.840 -0.040 0.000 0.824 250 L CB 1.225 43.236 42.059 -0.081 0.000 1.142 250 L HN 0.540 nan 8.230 nan 0.000 0.443 251 T N 6.664 121.281 114.554 0.105 0.000 2.795 251 T HA 0.577 4.927 4.350 -0.000 0.000 0.282 251 T C -0.124 174.603 174.700 0.046 0.000 0.980 251 T CA -0.114 62.027 62.100 0.068 0.000 1.012 251 T CB 0.559 69.465 68.868 0.064 0.000 0.936 251 T HN 0.428 nan 8.240 nan 0.000 0.457 252 I N 3.601 124.174 120.570 0.006 0.000 2.389 252 I HA 0.468 4.638 4.170 -0.000 0.000 0.288 252 I C 0.205 176.290 176.117 -0.053 0.000 0.999 252 I CA -0.891 60.320 61.300 -0.149 0.000 1.129 252 I CB 1.501 39.333 38.000 -0.280 0.000 1.288 252 I HN 0.333 nan 8.210 nan 0.000 0.444 253 R N 3.488 123.956 120.500 -0.053 0.000 2.514 253 R HA 0.736 5.076 4.340 -0.000 0.000 0.301 253 R C -0.536 175.891 176.300 0.212 0.000 0.962 253 R CA -0.646 55.481 56.100 0.045 0.000 0.882 253 R CB 2.388 32.702 30.300 0.023 0.000 1.143 253 R HN 0.552 nan 8.270 nan 0.000 0.452 254 T N 0.419 115.098 114.554 0.208 0.000 2.894 254 T HA 0.768 5.118 4.350 -0.000 0.000 0.309 254 T C -1.751 173.196 174.700 0.413 0.000 1.208 254 T CA -0.418 61.911 62.100 0.380 0.000 1.016 254 T CB 1.725 70.827 68.868 0.389 0.000 1.192 254 T HN 0.733 nan 8.240 nan 0.000 0.491 255 A N 1.886 125.013 122.820 0.512 0.000 2.609 255 A HA 0.930 5.250 4.320 -0.000 0.000 0.291 255 A C -0.537 177.283 177.584 0.393 0.000 1.096 255 A CA -0.248 52.045 52.037 0.427 0.000 0.684 255 A CB 1.408 20.623 19.000 0.359 0.000 1.282 255 A HN 1.546 nan 8.150 nan 0.000 0.412 256 S N -0.414 115.468 115.700 0.303 0.000 2.685 256 S HA 0.922 5.392 4.470 -0.000 0.000 0.282 256 S C -0.529 174.099 174.600 0.046 0.000 1.159 256 S CA -0.039 58.276 58.200 0.190 0.000 0.833 256 S CB 1.567 64.895 63.200 0.213 0.000 1.151 256 S HN 2.103 nan 8.310 nan 0.000 0.485 257 S N -0.884 114.772 115.700 -0.073 0.000 2.537 257 S HA 0.654 5.124 4.470 -0.000 0.000 0.270 257 S C -1.145 173.288 174.600 -0.279 0.000 1.142 257 S CA -0.664 57.474 58.200 -0.103 0.000 0.870 257 S CB 0.817 64.035 63.200 0.030 0.000 1.112 257 S HN 0.596 nan 8.310 nan 0.000 0.466 258 F N 2.149 122.066 119.950 -0.055 0.000 2.765 258 F HA 0.419 4.945 4.527 -0.000 0.000 0.302 258 F C 1.437 177.190 175.800 -0.079 0.000 1.111 258 F CA 0.105 58.003 58.000 -0.170 0.000 1.359 258 F CB -0.008 38.836 39.000 -0.260 0.000 1.097 258 F HN 0.450 nan 8.300 nan 0.000 0.577 259 I N -1.312 119.371 120.570 0.189 0.000 2.512 259 I HA 0.009 4.179 4.170 -0.000 0.000 0.247 259 I C 0.709 176.829 176.117 0.005 0.000 1.094 259 I CA 0.641 62.037 61.300 0.160 0.000 1.427 259 I CB 0.028 38.107 38.000 0.132 0.000 1.149 259 I HN 0.063 nan 8.210 nan 0.000 0.438 260 S N -1.701 113.904 115.700 -0.159 0.000 2.595 260 S HA 0.314 4.784 4.470 -0.000 0.000 0.270 260 S C -2.515 171.782 174.600 -0.504 0.000 1.145 260 S CA -1.002 56.828 58.200 -0.617 0.000 0.825 260 S CB 1.245 64.240 63.200 -0.342 0.000 1.107 260 S HN -0.271 nan 8.310 nan 0.000 0.461 261 P HA -0.057 nan 4.420 nan 0.000 0.216 261 P C 0.976 178.172 177.300 -0.174 0.000 1.150 261 P CA 1.494 64.419 63.100 -0.292 0.000 0.843 261 P CB 0.013 31.539 31.700 -0.291 0.000 0.787 262 E N -0.798 119.297 120.200 -0.175 0.000 2.072 262 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 262 E C 2.116 178.688 176.600 -0.047 0.000 0.985 262 E CA 1.089 57.430 56.400 -0.098 0.000 0.801 262 E CB -0.749 28.896 29.700 -0.091 0.000 0.750 262 E HN 0.180 nan 8.360 nan 0.000 0.452 263 Q N 0.252 120.023 119.800 -0.047 0.000 2.172 263 Q HA 0.037 4.377 4.340 -0.000 0.000 0.200 263 Q C 1.869 177.894 176.000 0.042 0.000 0.964 263 Q CA 1.440 57.250 55.803 0.012 0.000 0.855 263 Q CB -0.308 28.442 28.738 0.021 0.000 0.918 263 Q HN 0.244 nan 8.270 nan 0.000 0.444 264 A N 0.242 123.074 122.820 0.020 0.000 1.933 264 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 264 A C 2.256 179.903 177.584 0.106 0.000 1.175 264 A CA 1.765 53.843 52.037 0.068 0.000 0.628 264 A CB -1.044 17.983 19.000 0.046 0.000 0.814 264 A HN 0.510 nan 8.150 nan 0.000 0.444 265 A N -0.273 122.574 122.820 0.044 0.000 1.968 265 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 265 A C 2.074 179.743 177.584 0.141 0.000 1.169 265 A CA 1.276 53.346 52.037 0.055 0.000 0.638 265 A CB -0.526 18.455 19.000 -0.031 0.000 0.812 265 A HN 0.488 nan 8.150 nan 0.000 0.446 266 I N 0.271 120.905 120.570 0.106 0.000 2.179 266 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 266 I C 2.096 178.308 176.117 0.158 0.000 1.088 266 I CA 1.227 62.599 61.300 0.121 0.000 1.357 266 I CB -0.460 37.600 38.000 0.099 0.000 1.051 266 I HN 0.286 nan 8.210 nan 0.000 0.409 267 N N 0.899 119.700 118.700 0.168 0.000 2.084 267 N HA -0.228 4.512 4.740 -0.000 0.000 0.190 267 N C 1.771 177.396 175.510 0.191 0.000 1.030 267 N CA 1.430 54.586 53.050 0.177 0.000 0.849 267 N CB -0.711 37.879 38.487 0.171 0.000 1.012 267 N HN 0.317 nan 8.380 nan 0.000 0.423 268 F N 2.208 122.203 119.950 0.076 0.000 2.069 268 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 268 F C 1.984 177.815 175.800 0.052 0.000 1.113 268 F CA 1.359 59.399 58.000 0.066 0.000 1.214 268 F CB -0.222 38.811 39.000 0.055 0.000 0.978 268 F HN -0.013 nan 8.300 nan 0.000 0.474 269 N N 0.382 119.295 118.700 0.354 0.000 2.166 269 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 269 N C 2.028 177.577 175.510 0.065 0.000 1.019 269 N CA 1.220 54.397 53.050 0.212 0.000 0.856 269 N CB -0.497 38.115 38.487 0.209 0.000 0.993 269 N HN 0.399 nan 8.380 nan 0.000 0.426 270 R N 1.098 121.641 120.500 0.073 0.000 2.093 270 R HA 0.012 4.352 4.340 -0.000 0.000 0.224 270 R C 1.345 177.650 176.300 0.008 0.000 1.101 270 R CA 1.062 57.190 56.100 0.047 0.000 0.979 270 R CB 0.251 30.601 30.300 0.083 0.000 0.877 270 R HN 0.274 nan 8.270 nan 0.000 0.441 271 E N -0.678 119.514 120.200 -0.013 0.000 2.201 271 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 271 E C 1.467 177.996 176.600 -0.119 0.000 0.957 271 E CA 0.982 57.362 56.400 -0.032 0.000 0.858 271 E CB 0.893 30.606 29.700 0.021 0.000 0.816 271 E HN 0.300 nan 8.360 nan 0.000 0.475 272 V N -2.767 116.985 119.914 -0.271 0.000 3.451 272 V HA 0.471 4.591 4.120 -0.000 0.000 0.288 272 V C 0.699 176.500 176.094 -0.488 0.000 1.502 272 V CA -0.245 61.834 62.300 -0.369 0.000 1.026 272 V CB 0.293 31.876 31.823 -0.400 0.000 0.840 272 V HN 0.045 nan 8.190 nan 0.000 0.437 273 A N 1.400 123.891 122.820 -0.548 0.000 2.540 273 A HA 0.389 4.709 4.320 -0.000 0.000 0.239 273 A C 1.030 178.533 177.584 -0.136 0.000 1.061 273 A CA 0.976 52.802 52.037 -0.352 0.000 0.758 273 A CB -0.443 18.525 19.000 -0.053 0.000 0.991 273 A HN 0.715 nan 8.150 nan 0.000 0.502 274 D N -1.298 119.069 120.400 -0.056 0.000 2.837 274 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 274 D C 0.507 176.783 176.300 -0.040 0.000 1.033 274 D CA 1.800 55.788 54.000 -0.020 0.000 1.021 274 D CB -1.807 38.989 40.800 -0.007 0.000 1.101 274 D HN 1.163 nan 8.370 nan 0.000 0.431 275 A N 0.860 123.632 122.820 -0.080 0.000 2.322 275 A HA 0.471 4.791 4.320 -0.000 0.000 0.269 275 A C 0.410 177.964 177.584 -0.051 0.000 1.094 275 A CA 0.172 52.167 52.037 -0.070 0.000 0.807 275 A CB 0.734 19.677 19.000 -0.096 0.000 1.047 275 A HN 0.191 nan 8.150 nan 0.000 0.487 276 D N -0.040 120.336 120.400 -0.039 0.000 2.442 276 D HA 0.269 4.909 4.640 -0.000 0.000 0.254 276 D C 0.697 176.969 176.300 -0.047 0.000 1.069 276 D CA -0.461 53.520 54.000 -0.031 0.000 1.017 276 D CB 0.864 41.655 40.800 -0.015 0.000 1.172 276 D HN 0.203 nan 8.370 nan 0.000 0.561 277 V N 0.101 119.985 119.914 -0.051 0.000 2.594 277 V HA -0.262 3.858 4.120 -0.000 0.000 0.253 277 V C 1.864 177.926 176.094 -0.052 0.000 1.069 277 V CA 2.035 64.291 62.300 -0.074 0.000 1.082 277 V CB -0.585 31.179 31.823 -0.098 0.000 0.680 277 V HN 0.453 nan 8.190 nan 0.000 0.469 278 Q N -0.522 119.255 119.800 -0.037 0.000 2.084 278 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 278 Q C 1.952 177.936 176.000 -0.027 0.000 0.978 278 Q CA 2.000 57.787 55.803 -0.027 0.000 0.844 278 Q CB -0.592 28.132 28.738 -0.025 0.000 0.898 278 Q HN 0.590 nan 8.270 nan 0.000 0.426 279 L N -0.020 121.184 121.223 -0.031 0.000 1.989 279 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 279 L C 1.730 178.584 176.870 -0.028 0.000 1.071 279 L CA 1.566 56.388 54.840 -0.031 0.000 0.749 279 L CB -0.467 41.572 42.059 -0.035 0.000 0.890 279 L HN 0.229 nan 8.230 nan 0.000 0.431 280 I N -1.131 119.418 120.570 -0.034 0.000 2.226 280 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 280 I C 2.732 178.856 176.117 0.012 0.000 1.100 280 I CA 1.628 62.913 61.300 -0.026 0.000 1.374 280 I CB -1.772 36.191 38.000 -0.062 0.000 1.057 280 I HN 0.380 nan 8.210 nan 0.000 0.413 281 S N 1.090 116.802 115.700 0.020 0.000 2.356 281 S HA -0.126 4.344 4.470 -0.000 0.000 0.223 281 S C 2.234 176.856 174.600 0.037 0.000 1.032 281 S CA 1.675 59.934 58.200 0.099 0.000 1.005 281 S CB -0.704 62.562 63.200 0.109 0.000 0.867 281 S HN 0.499 nan 8.310 nan 0.000 0.449 282 G N 1.162 109.948 108.800 -0.023 0.000 2.446 282 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 282 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 282 G C 1.561 176.432 174.900 -0.048 0.000 1.168 282 G CA 0.938 45.996 45.100 -0.070 0.000 0.771 282 G HN 0.567 nan 8.290 nan 0.000 0.551 283 K N 0.503 120.896 120.400 -0.011 0.000 2.026 283 K HA 0.054 4.374 4.320 -0.000 0.000 0.208 283 K C 2.977 179.602 176.600 0.043 0.000 1.048 283 K CA 1.018 57.310 56.287 0.008 0.000 0.929 283 K CB -0.239 32.268 32.500 0.011 0.000 0.713 283 K HN 0.269 nan 8.250 nan 0.000 0.439 284 A N 1.516 124.390 122.820 0.090 0.000 1.902 284 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 284 A C 2.113 179.862 177.584 0.275 0.000 1.181 284 A CA 1.428 53.585 52.037 0.199 0.000 0.623 284 A CB -0.468 18.711 19.000 0.298 0.000 0.818 284 A HN 0.213 nan 8.150 nan 0.000 0.443 285 R N -0.309 120.244 120.500 0.087 0.000 2.083 285 R HA -0.221 4.119 4.340 -0.000 0.000 0.237 285 R C 2.259 178.562 176.300 0.006 0.000 1.137 285 R CA 1.999 58.015 56.100 -0.139 0.000 0.951 285 R CB -0.310 29.641 30.300 -0.581 0.000 0.851 285 R HN 0.742 nan 8.270 nan 0.000 0.434 286 E N -0.288 119.903 120.200 -0.015 0.000 2.058 286 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 286 E C 2.000 178.637 176.600 0.061 0.000 0.997 286 E CA 1.378 57.780 56.400 0.004 0.000 0.801 286 E CB 0.109 29.799 29.700 -0.015 0.000 0.746 286 E HN 0.334 nan 8.360 nan 0.000 0.450 287 Q N -0.486 119.360 119.800 0.076 0.000 2.084 287 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 287 Q C 1.899 177.981 176.000 0.137 0.000 0.978 287 Q CA 1.480 57.336 55.803 0.088 0.000 0.844 287 Q CB -0.489 28.252 28.738 0.005 0.000 0.898 287 Q HN 0.509 nan 8.270 nan 0.000 0.426 288 W N 1.423 122.826 121.300 0.173 0.000 2.381 288 W HA -0.119 4.541 4.660 0.000 0.000 0.301 288 W C 2.024 178.654 176.519 0.186 0.000 1.205 288 W CA 0.940 58.396 57.345 0.185 0.000 1.285 288 W CB -0.400 29.151 29.460 0.152 0.000 1.133 288 W HN 0.295 nan 8.180 nan 0.000 0.521 289 N N -0.003 118.892 118.700 0.325 0.000 2.149 289 N HA -0.205 4.535 4.740 -0.000 0.000 0.188 289 N C 1.412 177.047 175.510 0.207 0.000 1.019 289 N CA 1.381 54.563 53.050 0.220 0.000 0.857 289 N CB -0.305 38.225 38.487 0.071 0.000 0.997 289 N HN 0.091 nan 8.380 nan 0.000 0.426 290 N N 0.244 119.020 118.700 0.127 0.000 2.058 290 N HA -0.141 4.599 4.740 -0.000 0.000 0.191 290 N C 1.369 176.899 175.510 0.032 0.000 1.037 290 N CA 1.290 54.344 53.050 0.007 0.000 0.848 290 N CB -0.535 37.867 38.487 -0.140 0.000 1.021 290 N HN 0.367 nan 8.380 nan 0.000 0.422 291 Y N 1.061 121.483 120.300 0.204 0.000 2.220 291 Y HA 0.106 4.656 4.550 -0.000 0.000 0.291 291 Y C 2.308 178.464 175.900 0.427 0.000 1.129 291 Y CA 0.506 58.796 58.100 0.317 0.000 1.161 291 Y CB -0.408 38.123 38.460 0.119 0.000 0.997 291 Y HN -0.031 nan 8.280 nan 0.000 0.522 292 L N -1.045 120.503 121.223 0.540 0.000 2.083 292 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 292 L C 2.521 179.652 176.870 0.436 0.000 1.083 292 L CA 1.267 56.417 54.840 0.516 0.000 0.752 292 L CB -1.004 41.348 42.059 0.488 0.000 0.899 292 L HN 0.305 nan 8.230 nan 0.000 0.433 293 G N -0.392 108.668 108.800 0.433 0.000 2.625 293 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.214 293 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.214 293 G C 1.630 176.754 174.900 0.373 0.000 1.132 293 G CA 0.008 45.386 45.100 0.464 0.000 0.782 293 G HN 0.315 nan 8.290 nan 0.000 0.538 294 R N -0.627 120.067 120.500 0.323 0.000 2.193 294 R HA 0.014 4.353 4.340 -0.000 0.000 0.229 294 R C -0.051 176.391 176.300 0.237 0.000 1.110 294 R CA 0.448 56.708 56.100 0.266 0.000 0.988 294 R CB -0.028 30.325 30.300 0.087 0.000 0.871 294 R HN 0.291 nan 8.270 nan 0.000 0.458 295 V N 1.573 121.626 119.914 0.232 0.000 2.444 295 V HA 0.209 4.329 4.120 -0.000 0.000 0.294 295 V C -0.462 175.681 176.094 0.081 0.000 1.022 295 V CA -0.789 61.598 62.300 0.145 0.000 0.850 295 V CB 1.837 33.779 31.823 0.198 0.000 0.992 295 V HN 0.066 nan 8.190 nan 0.000 0.426 296 E N 3.403 123.626 120.200 0.037 0.000 2.055 296 E HA 0.623 4.973 4.350 -0.000 0.000 0.274 296 E C -0.163 176.352 176.600 -0.142 0.000 0.949 296 E CA -0.423 55.991 56.400 0.023 0.000 0.775 296 E CB 1.884 31.768 29.700 0.308 0.000 1.097 296 E HN 0.841 nan 8.360 nan 0.000 0.404 297 A N 4.302 126.899 122.820 -0.372 0.000 2.320 297 A HA 0.317 4.637 4.320 -0.000 0.000 0.287 297 A C -0.185 177.116 177.584 -0.472 0.000 1.181 297 A CA -0.315 51.222 52.037 -0.834 0.000 0.831 297 A CB 0.497 18.313 19.000 -1.973 0.000 1.102 297 A HN 0.623 nan 8.150 nan 0.000 0.513 298 E N 0.792 120.787 120.200 -0.342 0.000 2.293 298 E HA 0.563 4.913 4.350 -0.000 0.000 0.270 298 E C -0.044 176.558 176.600 0.004 0.000 0.879 298 E CA -0.459 55.884 56.400 -0.095 0.000 0.756 298 E CB 1.938 31.635 29.700 -0.006 0.000 1.208 298 E HN 1.471 nan 8.360 nan 0.000 0.428 299 G N 1.300 110.142 108.800 0.069 0.000 2.470 299 G HA2 0.036 3.996 3.960 -0.000 0.000 0.286 299 G HA3 0.036 3.996 3.960 -0.000 0.000 0.286 299 G C -0.044 174.989 174.900 0.221 0.000 1.115 299 G CA -0.145 45.023 45.100 0.113 0.000 1.122 299 G HN 0.800 nan 8.290 nan 0.000 0.522 300 G N -0.880 108.067 108.800 0.245 0.000 2.682 300 G HA2 0.996 4.956 3.960 -0.000 0.000 0.290 300 G HA3 0.996 4.956 3.960 -0.000 0.000 0.290 300 G C 0.034 175.022 174.900 0.147 0.000 1.425 300 G CA 0.681 45.935 45.100 0.257 0.000 0.807 300 G HN 1.478 nan 8.290 nan 0.000 0.482 301 T N -1.688 112.920 114.554 0.091 0.000 2.849 301 T HA 0.292 4.642 4.350 -0.000 0.000 0.284 301 T C 0.539 175.292 174.700 0.089 0.000 1.004 301 T CA 0.015 62.159 62.100 0.074 0.000 1.021 301 T CB 1.359 70.253 68.868 0.044 0.000 1.013 301 T HN 0.225 nan 8.240 nan 0.000 0.527 302 D N 0.128 120.586 120.400 0.095 0.000 2.149 302 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 302 D C 1.914 178.275 176.300 0.102 0.000 0.990 302 D CA 1.372 55.446 54.000 0.123 0.000 0.839 302 D CB -0.254 40.652 40.800 0.178 0.000 0.948 302 D HN 0.850 nan 8.370 nan 0.000 0.460 303 E N 1.038 121.289 120.200 0.085 0.000 2.077 303 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 303 E C 1.925 178.571 176.600 0.078 0.000 0.989 303 E CA 1.322 57.765 56.400 0.072 0.000 0.800 303 E CB -0.145 29.584 29.700 0.049 0.000 0.746 303 E HN 0.307 nan 8.360 nan 0.000 0.452 304 Q N -0.234 119.616 119.800 0.082 0.000 2.079 304 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 304 Q C 2.421 178.579 176.000 0.264 0.000 0.974 304 Q CA 1.562 57.437 55.803 0.119 0.000 0.840 304 Q CB -0.149 28.575 28.738 -0.023 0.000 0.898 304 Q HN 0.334 nan 8.270 nan 0.000 0.430 305 L N 0.176 121.504 121.223 0.176 0.000 2.046 305 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 305 L C 2.484 179.400 176.870 0.077 0.000 1.077 305 L CA 1.222 56.059 54.840 -0.004 0.000 0.747 305 L CB -0.345 41.325 42.059 -0.649 0.000 0.896 305 L HN 0.152 nan 8.230 nan 0.000 0.432 306 R N -0.719 119.842 120.500 0.102 0.000 2.081 306 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 306 R C 2.283 178.666 176.300 0.138 0.000 1.131 306 R CA 1.848 58.078 56.100 0.217 0.000 0.960 306 R CB -0.686 29.724 30.300 0.183 0.000 0.856 306 R HN 0.344 nan 8.270 nan 0.000 0.436 307 T N 0.966 115.563 114.554 0.072 0.000 2.737 307 T HA -0.143 4.207 4.350 -0.000 0.000 0.265 307 T C 1.393 176.031 174.700 -0.103 0.000 1.038 307 T CA 1.234 63.271 62.100 -0.106 0.000 1.144 307 T CB -0.315 68.429 68.868 -0.207 0.000 0.866 307 T HN 0.165 nan 8.240 nan 0.000 0.434 308 F N 0.950 120.905 119.950 0.009 0.000 2.075 308 F HA -0.107 4.420 4.527 -0.000 0.000 0.297 308 F C 1.957 177.683 175.800 -0.124 0.000 1.113 308 F CA 1.149 59.184 58.000 0.058 0.000 1.218 308 F CB -0.457 38.566 39.000 0.039 0.000 0.984 308 F HN 0.123 nan 8.300 nan 0.000 0.472 309 Y N 0.017 120.418 120.300 0.168 0.000 2.373 309 Y HA -0.104 4.446 4.550 -0.000 0.000 0.293 309 Y C 2.740 178.666 175.900 0.044 0.000 1.129 309 Y CA 1.297 59.440 58.100 0.073 0.000 1.226 309 Y CB -1.026 37.580 38.460 0.243 0.000 1.000 309 Y HN 0.020 nan 8.280 nan 0.000 0.549 310 S N -1.113 114.676 115.700 0.148 0.000 2.368 310 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 310 S C 2.221 176.915 174.600 0.158 0.000 1.029 310 S CA 1.359 59.626 58.200 0.112 0.000 0.988 310 S CB -0.773 62.450 63.200 0.038 0.000 0.838 310 S HN 0.522 nan 8.310 nan 0.000 0.462 311 C N 1.090 120.406 119.300 0.025 0.000 2.429 311 C HA 0.023 4.483 4.460 -0.000 0.000 0.277 311 C C 2.517 177.520 174.990 0.022 0.000 1.262 311 C CA 0.398 59.451 59.018 0.059 0.000 1.733 311 C CB -1.322 26.414 27.740 -0.007 0.000 2.010 311 C HN 0.512 nan 8.230 nan 0.000 0.483 312 L N 0.482 121.639 121.223 -0.109 0.000 2.046 312 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 312 L C 2.363 179.293 176.870 0.100 0.000 1.077 312 L CA 1.961 56.753 54.840 -0.080 0.000 0.747 312 L CB -1.268 40.670 42.059 -0.202 0.000 0.896 312 L HN 0.555 nan 8.230 nan 0.000 0.432 313 Y N 0.111 120.422 120.300 0.018 0.000 2.114 313 Y HA -0.281 4.269 4.550 -0.000 0.000 0.282 313 Y C 2.499 178.386 175.900 -0.022 0.000 1.165 313 Y CA 1.817 59.894 58.100 -0.038 0.000 1.148 313 Y CB -0.319 37.971 38.460 -0.284 0.000 0.972 313 Y HN 0.085 nan 8.280 nan 0.000 0.504 314 R N -0.045 120.320 120.500 -0.224 0.000 2.096 314 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 314 R C 2.113 178.358 176.300 -0.092 0.000 1.127 314 R CA 1.773 57.710 56.100 -0.271 0.000 0.968 314 R CB -1.392 28.920 30.300 0.020 0.000 0.861 314 R HN 0.432 nan 8.270 nan 0.000 0.440 315 T N 1.595 116.147 114.554 -0.003 0.000 2.915 315 T HA 0.030 4.380 4.350 -0.000 0.000 0.269 315 T C 1.654 176.429 174.700 0.126 0.000 1.071 315 T CA 0.677 62.824 62.100 0.078 0.000 1.132 315 T CB 0.019 68.924 68.868 0.061 0.000 0.878 315 T HN 0.161 nan 8.240 nan 0.000 0.479 316 L N 0.385 121.539 121.223 -0.115 0.000 2.611 316 L HA 0.301 4.641 4.340 -0.000 0.000 0.229 316 L C 1.687 178.009 176.870 -0.913 0.000 1.137 316 L CA 0.127 54.611 54.840 -0.593 0.000 0.901 316 L CB -0.340 41.266 42.059 -0.755 0.000 1.098 316 L HN 0.254 nan 8.230 nan 0.000 0.456 317 L N -1.120 119.854 121.223 -0.414 0.000 2.145 317 L HA 0.130 4.470 4.340 -0.000 0.000 0.201 317 L C 0.265 177.018 176.870 -0.195 0.000 1.075 317 L CA 0.807 55.385 54.840 -0.436 0.000 0.773 317 L CB 0.144 41.832 42.059 -0.617 0.000 0.936 317 L HN 0.054 nan 8.230 nan 0.000 0.451 318 F N -0.285 119.837 119.950 0.288 0.000 2.538 318 F HA 0.461 4.988 4.527 -0.000 0.000 0.325 318 F C -2.139 174.005 175.800 0.574 0.000 1.066 318 F CA -2.762 55.494 58.000 0.427 0.000 0.946 318 F CB 0.750 39.934 39.000 0.306 0.000 1.199 318 F HN -0.270 nan 8.300 nan 0.000 0.473 319 P HA 0.186 nan 4.420 nan 0.000 0.274 319 P C -1.089 176.652 177.300 0.734 0.000 1.237 319 P CA -0.603 62.934 63.100 0.728 0.000 0.793 319 P CB 0.903 32.993 31.700 0.651 0.000 0.977 320 R N 0.851 121.669 120.500 0.530 0.000 2.490 320 R HA 0.300 4.640 4.340 -0.000 0.000 0.278 320 R C -0.299 176.107 176.300 0.177 0.000 1.069 320 R CA -0.552 55.752 56.100 0.338 0.000 1.080 320 R CB 0.316 30.684 30.300 0.113 0.000 1.030 320 R HN 0.377 nan 8.270 nan 0.000 0.491 321 E N 1.563 121.701 120.200 -0.104 0.000 2.465 321 E HA -0.108 4.242 4.350 -0.000 0.000 0.260 321 E C -0.722 175.728 176.600 -0.250 0.000 0.980 321 E CA 0.347 56.369 56.400 -0.629 0.000 0.927 321 E CB 0.321 29.601 29.700 -0.701 0.000 0.934 321 E HN 0.523 nan 8.360 nan 0.000 0.459 322 F N 3.477 123.212 119.950 -0.359 0.000 2.735 322 F HA 0.175 4.702 4.527 -0.000 0.000 0.308 322 F C -0.789 175.039 175.800 0.047 0.000 1.112 322 F CA -0.515 57.425 58.000 -0.101 0.000 1.235 322 F CB 0.383 39.344 39.000 -0.065 0.000 1.027 322 F HN 0.414 nan 8.300 nan 0.000 0.528 323 Y N -1.105 119.187 120.300 -0.013 0.000 2.602 323 Y HA 0.833 5.383 4.550 -0.000 0.000 0.330 323 Y C -0.577 175.244 175.900 -0.132 0.000 1.114 323 Y CA -1.441 56.666 58.100 0.010 0.000 1.182 323 Y CB 0.745 39.234 38.460 0.049 0.000 1.305 323 Y HN 0.004 nan 8.280 nan 0.000 0.502 324 E N 0.438 120.629 120.200 -0.015 0.000 2.429 324 E HA 0.428 4.778 4.350 -0.000 0.000 0.276 324 E C -2.061 174.411 176.600 -0.214 0.000 0.953 324 E CA -0.936 55.387 56.400 -0.127 0.000 0.787 324 E CB 2.352 32.067 29.700 0.026 0.000 1.307 324 E HN 0.472 nan 8.360 nan 0.000 0.458 325 F N 2.213 122.277 119.950 0.191 0.000 2.388 325 F HA 0.181 4.708 4.527 -0.000 0.000 0.358 325 F C 0.594 176.462 175.800 0.115 0.000 1.122 325 F CA -0.902 57.197 58.000 0.165 0.000 1.056 325 F CB 0.694 39.791 39.000 0.162 0.000 1.155 325 F HN 0.374 nan 8.300 nan 0.000 0.461 326 D N 0.225 120.772 120.400 0.245 0.000 2.380 326 D HA 0.034 4.674 4.640 -0.000 0.000 0.254 326 D C 1.343 177.727 176.300 0.140 0.000 1.288 326 D CA -0.092 53.999 54.000 0.151 0.000 1.008 326 D CB 0.060 40.920 40.800 0.100 0.000 1.099 326 D HN 0.385 nan 8.370 nan 0.000 0.537 327 S N -1.579 114.177 115.700 0.093 0.000 2.465 327 S HA -0.214 4.256 4.470 -0.000 0.000 0.241 327 S C 1.322 175.966 174.600 0.073 0.000 1.000 327 S CA 0.771 59.017 58.200 0.076 0.000 0.964 327 S CB -0.446 62.785 63.200 0.051 0.000 0.763 327 S HN 0.492 nan 8.310 nan 0.000 0.512 328 Q N 0.399 120.248 119.800 0.081 0.000 2.360 328 Q HA 0.248 4.588 4.340 -0.000 0.000 0.202 328 Q C 1.444 177.496 176.000 0.087 0.000 0.915 328 Q CA 0.604 56.450 55.803 0.071 0.000 0.943 328 Q CB 0.280 29.056 28.738 0.062 0.000 1.064 328 Q HN 0.808 nan 8.270 nan 0.000 0.511 329 G N 1.760 110.635 108.800 0.126 0.000 2.159 329 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.256 329 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.256 329 G C 0.061 175.112 174.900 0.252 0.000 0.977 329 G CA -0.010 45.171 45.100 0.135 0.000 0.652 329 G HN 0.245 nan 8.290 nan 0.000 0.531 330 N N 1.481 120.339 118.700 0.264 0.000 2.498 330 N HA 0.501 5.241 4.740 -0.000 0.000 0.287 330 N C -2.583 173.120 175.510 0.321 0.000 1.097 330 N CA -1.407 51.805 53.050 0.269 0.000 0.973 330 N CB 1.818 40.383 38.487 0.129 0.000 1.153 330 N HN 0.143 nan 8.380 nan 0.000 0.472 331 P HA 0.132 nan 4.420 nan 0.000 0.281 331 P C -0.551 176.725 177.300 -0.041 0.000 1.252 331 P CA -0.264 62.817 63.100 -0.032 0.000 0.778 331 P CB 0.909 32.490 31.700 -0.198 0.000 0.895 332 V N 1.831 121.758 119.914 0.023 0.000 3.130 332 V HA 0.857 4.977 4.120 -0.000 0.000 0.310 332 V C -1.410 174.809 176.094 0.209 0.000 1.158 332 V CA -1.247 61.082 62.300 0.048 0.000 1.029 332 V CB 1.948 33.781 31.823 0.017 0.000 1.057 332 V HN 0.630 nan 8.190 nan 0.000 0.436 333 Y N 0.012 120.406 120.300 0.156 0.000 2.552 333 Y HA 0.725 5.275 4.550 -0.000 0.000 0.337 333 Y C -1.240 174.839 175.900 0.300 0.000 1.094 333 Y CA -1.699 56.535 58.100 0.224 0.000 1.028 333 Y CB 1.233 39.860 38.460 0.277 0.000 1.321 333 Y HN 0.909 nan 8.280 nan 0.000 0.456 334 Y N 2.742 123.259 120.300 0.362 0.000 2.496 334 Y HA 0.393 4.943 4.550 -0.000 0.000 0.334 334 Y C 0.425 176.690 175.900 0.607 0.000 1.080 334 Y CA 0.148 58.474 58.100 0.378 0.000 1.355 334 Y CB 0.871 39.536 38.460 0.343 0.000 1.193 334 Y HN 0.808 nan 8.280 nan 0.000 0.523 335 S N 8.656 124.361 115.700 0.009 0.000 2.448 335 S HA 0.249 4.719 4.470 -0.000 0.000 0.279 335 S C -1.692 172.684 174.600 -0.374 0.000 1.195 335 S CA -1.447 56.811 58.200 0.097 0.000 1.051 335 S CB 0.614 63.951 63.200 0.229 0.000 0.948 335 S HN 0.685 nan 8.310 nan 0.000 0.493 336 P HA 0.067 nan 4.420 nan 0.000 0.245 336 P C 0.005 176.966 177.300 -0.566 0.000 1.212 336 P CA 0.445 63.295 63.100 -0.416 0.000 0.774 336 P CB -0.128 31.173 31.700 -0.665 0.000 0.999 337 Y N 1.236 121.442 120.300 -0.156 0.000 2.441 337 Y HA 0.037 4.587 4.550 -0.000 0.000 0.288 337 Y C 1.867 177.750 175.900 -0.029 0.000 1.118 337 Y CA 1.193 59.228 58.100 -0.109 0.000 1.215 337 Y CB -0.157 38.230 38.460 -0.122 0.000 1.118 337 Y HN 0.052 nan 8.280 nan 0.000 0.547 338 D N -2.600 117.866 120.400 0.110 0.000 2.520 338 D HA 0.191 4.830 4.640 -0.000 0.000 0.223 338 D C 1.652 177.983 176.300 0.052 0.000 1.186 338 D CA 0.625 54.686 54.000 0.102 0.000 0.821 338 D CB 0.242 41.127 40.800 0.142 0.000 1.072 338 D HN 0.219 nan 8.370 nan 0.000 0.518 339 G N 0.297 109.051 108.800 -0.077 0.000 2.162 339 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 339 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 339 G C 0.017 174.908 174.900 -0.014 0.000 0.976 339 G CA 0.221 45.259 45.100 -0.103 0.000 0.655 339 G HN 0.438 nan 8.290 nan 0.000 0.533 340 N N -0.640 118.055 118.700 -0.009 0.000 2.482 340 N HA 0.597 5.337 4.740 -0.000 0.000 0.279 340 N C 0.181 175.638 175.510 -0.089 0.000 1.182 340 N CA -0.328 52.694 53.050 -0.047 0.000 0.969 340 N CB 1.703 40.093 38.487 -0.162 0.000 1.201 340 N HN 0.085 nan 8.380 nan 0.000 0.523 341 V N 1.213 121.029 119.914 -0.163 0.000 2.481 341 V HA 0.300 4.420 4.120 -0.000 0.000 0.286 341 V C -0.507 175.312 176.094 -0.459 0.000 1.042 341 V CA -0.318 61.890 62.300 -0.154 0.000 0.928 341 V CB 0.566 32.365 31.823 -0.040 0.000 0.986 341 V HN 0.616 nan 8.190 nan 0.000 0.462 342 H N 0.780 119.565 119.070 -0.474 0.000 2.865 342 H HA 0.512 5.068 4.556 -0.000 0.000 0.372 342 H C -0.985 174.051 175.328 -0.486 0.000 1.173 342 H CA -0.905 54.829 56.048 -0.524 0.000 1.147 342 H CB 1.166 30.479 29.762 -0.748 0.000 1.805 342 H HN 0.544 nan 8.280 nan 0.000 0.553 343 D N 0.725 121.048 120.400 -0.128 0.000 2.350 343 D HA 0.448 5.088 4.640 -0.000 0.000 0.249 343 D C 1.045 177.320 176.300 -0.041 0.000 1.119 343 D CA 1.222 55.170 54.000 -0.086 0.000 0.886 343 D CB 1.288 42.059 40.800 -0.048 0.000 1.195 343 D HN 0.838 nan 8.370 nan 0.000 0.437 344 G N 0.870 109.611 108.800 -0.098 0.000 2.295 344 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.195 344 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.195 344 G C -1.595 173.126 174.900 -0.298 0.000 1.269 344 G CA -0.906 44.011 45.100 -0.305 0.000 1.170 344 G HN 0.303 nan 8.290 nan 0.000 0.511 345 Y N -0.514 119.839 120.300 0.088 0.000 2.468 345 Y HA 0.884 5.434 4.550 -0.000 0.000 0.342 345 Y C 0.520 176.234 175.900 -0.309 0.000 1.021 345 Y CA -0.818 57.172 58.100 -0.183 0.000 1.079 345 Y CB 2.143 40.471 38.460 -0.220 0.000 1.226 345 Y HN 0.790 nan 8.280 nan 0.000 0.460 346 M N 2.558 122.095 119.600 -0.106 0.000 2.484 346 M HA 0.560 5.040 4.480 -0.000 0.000 0.289 346 M C -2.305 174.084 176.300 0.147 0.000 1.206 346 M CA -1.174 54.007 55.300 -0.199 0.000 0.892 346 M CB 1.623 33.770 32.600 -0.755 0.000 1.712 346 M HN 0.583 nan 8.290 nan 0.000 0.462 347 Y N 0.304 120.681 120.300 0.128 0.000 2.605 347 Y HA 0.837 5.387 4.550 -0.000 0.000 0.343 347 Y C 0.121 176.071 175.900 0.083 0.000 1.036 347 Y CA -0.299 57.913 58.100 0.187 0.000 1.065 347 Y CB 2.703 41.291 38.460 0.213 0.000 1.288 347 Y HN 0.780 nan 8.280 nan 0.000 0.481 348 T N -0.739 113.959 114.554 0.240 0.000 2.653 348 T HA 0.298 4.648 4.350 -0.000 0.000 0.306 348 T C -2.157 172.671 174.700 0.213 0.000 1.426 348 T CA -0.500 61.642 62.100 0.069 0.000 1.008 348 T CB 0.812 69.481 68.868 -0.332 0.000 1.692 348 T HN 0.672 nan 8.240 nan 0.000 0.483 349 D N 1.313 121.816 120.400 0.172 0.000 3.026 349 D HA -0.113 4.527 4.640 -0.000 0.000 0.248 349 D C -0.876 175.546 176.300 0.204 0.000 1.100 349 D CA 0.919 55.115 54.000 0.327 0.000 0.855 349 D CB -1.150 39.967 40.800 0.528 0.000 1.011 349 D HN 0.540 nan 8.370 nan 0.000 0.423 350 N N -0.766 117.844 118.700 -0.150 0.000 2.431 350 N HA 0.514 5.254 4.740 -0.000 0.000 0.275 350 N C -0.658 174.063 175.510 -1.316 0.000 1.091 350 N CA -0.283 52.489 53.050 -0.464 0.000 0.922 350 N CB 1.721 40.202 38.487 -0.011 0.000 1.666 350 N HN 0.135 nan 8.380 nan 0.000 0.484 351 G N 1.603 109.338 108.800 -1.774 0.000 2.468 351 G HA2 0.313 4.273 3.960 -0.000 0.000 0.320 351 G HA3 0.313 4.273 3.960 -0.000 0.000 0.320 351 G C 0.224 174.868 174.900 -0.426 0.000 1.137 351 G CA -0.309 43.675 45.100 -1.860 0.000 0.984 351 G HN 0.483 nan 8.290 nan 0.000 0.462 352 F N 1.106 120.961 119.950 -0.159 0.000 2.269 352 F HA 0.021 4.548 4.527 -0.000 0.000 0.301 352 F C 2.000 177.991 175.800 0.318 0.000 1.082 352 F CA -0.231 57.825 58.000 0.093 0.000 1.360 352 F CB -0.393 38.658 39.000 0.085 0.000 1.041 352 F HN 0.746 nan 8.300 nan 0.000 0.512 353 W N 1.685 123.182 121.300 0.328 0.000 2.331 353 W HA -0.218 4.442 4.660 -0.000 0.000 0.291 353 W C 1.900 178.634 176.519 0.357 0.000 1.214 353 W CA 1.993 59.593 57.345 0.425 0.000 1.228 353 W CB -0.252 29.413 29.460 0.343 0.000 1.135 353 W HN -0.071 nan 8.180 nan 0.000 0.537 354 D N -1.238 119.293 120.400 0.218 0.000 2.146 354 D HA -0.128 4.512 4.640 -0.000 0.000 0.209 354 D C 2.229 178.464 176.300 -0.109 0.000 0.973 354 D CA 2.596 56.565 54.000 -0.051 0.000 0.860 354 D CB -0.867 39.987 40.800 0.091 0.000 1.015 354 D HN 0.237 nan 8.370 nan 0.000 0.465 355 T N -0.447 114.157 114.554 0.084 0.000 3.085 355 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 355 T C 1.968 176.779 174.700 0.184 0.000 1.127 355 T CA 0.126 62.303 62.100 0.130 0.000 1.103 355 T CB -0.696 68.349 68.868 0.294 0.000 0.921 355 T HN 0.184 nan 8.240 nan 0.000 0.510 356 F N 2.150 122.167 119.950 0.111 0.000 2.269 356 F HA 0.218 4.745 4.527 -0.000 0.000 0.301 356 F C 2.155 177.921 175.800 -0.057 0.000 1.082 356 F CA 0.138 58.156 58.000 0.030 0.000 1.360 356 F CB -0.456 38.561 39.000 0.028 0.000 1.041 356 F HN -0.012 nan 8.300 nan 0.000 0.512 357 R N 0.627 120.552 120.500 -0.958 0.000 2.073 357 R HA 0.167 4.507 4.340 -0.000 0.000 0.229 357 R C 2.014 178.015 176.300 -0.498 0.000 1.120 357 R CA 1.433 56.926 56.100 -1.011 0.000 0.967 357 R CB -0.421 29.309 30.300 -0.951 0.000 0.862 357 R HN 0.485 nan 8.270 nan 0.000 0.436 358 A N -0.928 121.731 122.820 -0.267 0.000 2.167 358 A HA 0.162 4.482 4.320 -0.000 0.000 0.184 358 A C 1.842 179.442 177.584 0.026 0.000 1.675 358 A CA -0.306 51.664 52.037 -0.112 0.000 1.215 358 A CB 0.194 19.234 19.000 0.068 0.000 1.427 358 A HN 0.007 nan 8.150 nan 0.000 0.457 359 V N 0.772 120.615 119.914 -0.119 0.000 2.237 359 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 359 V C 2.364 178.016 176.094 -0.737 0.000 1.046 359 V CA 2.330 64.395 62.300 -0.391 0.000 1.007 359 V CB -1.045 30.549 31.823 -0.382 0.000 0.638 359 V HN 0.615 nan 8.190 nan 0.000 0.445 360 H N -0.444 118.422 119.070 -0.340 0.000 2.389 360 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 360 H C 0.024 175.331 175.328 -0.035 0.000 1.081 360 H CA 1.885 57.791 56.048 -0.237 0.000 1.345 360 H CB -1.559 28.173 29.762 -0.050 0.000 1.393 360 H HN 0.407 nan 8.280 nan 0.000 0.520 361 P HA -0.143 nan 4.420 nan 0.000 0.216 361 P C 1.906 179.473 177.300 0.445 0.000 1.150 361 P CA 0.743 63.988 63.100 0.242 0.000 0.837 361 P CB -0.100 31.666 31.700 0.111 0.000 0.786 362 L N -1.620 119.824 121.223 0.369 0.000 2.046 362 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 362 L C 2.060 179.166 176.870 0.392 0.000 1.077 362 L CA 1.932 56.891 54.840 0.198 0.000 0.747 362 L CB -1.278 40.705 42.059 -0.126 0.000 0.896 362 L HN -0.159 nan 8.230 nan 0.000 0.432 363 F N 0.120 120.262 119.950 0.320 0.000 2.095 363 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 363 F C 2.813 178.776 175.800 0.270 0.000 1.104 363 F CA 1.559 59.767 58.000 0.347 0.000 1.232 363 F CB -2.206 36.920 39.000 0.210 0.000 0.987 363 F HN 0.318 nan 8.300 nan 0.000 0.475 364 T N -1.435 113.375 114.554 0.426 0.000 2.849 364 T HA -0.191 4.159 4.350 -0.000 0.000 0.270 364 T C 1.926 176.854 174.700 0.380 0.000 1.066 364 T CA 1.423 63.708 62.100 0.308 0.000 1.130 364 T CB -0.672 68.309 68.868 0.188 0.000 0.864 364 T HN 0.224 nan 8.240 nan 0.000 0.481 365 L N -0.439 121.036 121.223 0.420 0.000 2.130 365 L HA 0.482 4.822 4.340 -0.000 0.000 0.200 365 L C 2.096 179.044 176.870 0.131 0.000 1.075 365 L CA 1.265 56.316 54.840 0.353 0.000 0.768 365 L CB -0.303 41.944 42.059 0.313 0.000 0.933 365 L HN 0.246 nan 8.230 nan 0.000 0.451 366 L N -2.027 119.235 121.223 0.064 0.000 2.515 366 L HA 0.110 4.450 4.340 -0.000 0.000 0.223 366 L C 0.007 176.570 176.870 -0.511 0.000 1.079 366 L CA 0.087 54.764 54.840 -0.272 0.000 0.857 366 L CB 0.307 42.083 42.059 -0.471 0.000 1.050 366 L HN 0.173 nan 8.230 nan 0.000 0.476 367 Y N -1.143 119.317 120.300 0.268 0.000 2.517 367 Y HA 0.277 4.827 4.550 -0.000 0.000 0.330 367 Y C -1.786 174.167 175.900 0.088 0.000 0.917 367 Y CA -1.894 56.329 58.100 0.205 0.000 1.131 367 Y CB -0.075 38.533 38.460 0.247 0.000 1.175 367 Y HN -0.050 nan 8.280 nan 0.000 0.620 368 P HA -0.179 nan 4.420 nan 0.000 0.223 368 P C 1.228 178.551 177.300 0.038 0.000 1.151 368 P CA 1.369 64.543 63.100 0.122 0.000 0.787 368 P CB 0.444 32.214 31.700 0.116 0.000 0.788 369 E N 0.633 120.847 120.200 0.024 0.000 2.204 369 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 369 E C 1.719 178.233 176.600 -0.143 0.000 0.990 369 E CA 1.067 57.449 56.400 -0.031 0.000 0.821 369 E CB -1.341 28.368 29.700 0.014 0.000 0.750 369 E HN 0.106 nan 8.360 nan 0.000 0.477 370 V N 1.540 121.306 119.914 -0.247 0.000 2.323 370 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 370 V C 2.546 178.416 176.094 -0.373 0.000 1.041 370 V CA 1.726 63.718 62.300 -0.513 0.000 1.025 370 V CB -0.559 30.604 31.823 -1.100 0.000 0.656 370 V HN 0.239 nan 8.190 nan 0.000 0.451 371 S N -0.248 115.362 115.700 -0.151 0.000 2.383 371 S HA -0.247 4.222 4.470 -0.000 0.000 0.229 371 S C 1.899 176.450 174.600 -0.081 0.000 1.030 371 S CA 1.667 59.847 58.200 -0.032 0.000 1.002 371 S CB -0.312 62.948 63.200 0.101 0.000 0.829 371 S HN 0.684 nan 8.310 nan 0.000 0.467 372 E N 0.797 120.951 120.200 -0.078 0.000 2.085 372 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 372 E C 2.370 178.921 176.600 -0.081 0.000 0.994 372 E CA 1.058 57.423 56.400 -0.059 0.000 0.801 372 E CB -0.107 29.564 29.700 -0.049 0.000 0.743 372 E HN 0.435 nan 8.360 nan 0.000 0.453 373 R N 0.117 120.513 120.500 -0.173 0.000 2.100 373 R HA -0.007 4.333 4.340 -0.000 0.000 0.220 373 R C 2.460 178.696 176.300 -0.107 0.000 1.091 373 R CA 0.553 56.554 56.100 -0.165 0.000 0.986 373 R CB -0.133 29.971 30.300 -0.327 0.000 0.888 373 R HN 0.021 nan 8.270 nan 0.000 0.444 374 V N 1.456 121.155 119.914 -0.358 0.000 2.287 374 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 374 V C 2.640 178.655 176.094 -0.131 0.000 1.053 374 V CA 2.486 64.558 62.300 -0.380 0.000 1.027 374 V CB -0.792 30.800 31.823 -0.385 0.000 0.646 374 V HN 0.556 nan 8.190 nan 0.000 0.447 375 T N -1.657 112.833 114.554 -0.107 0.000 2.746 375 T HA -0.296 4.054 4.350 -0.000 0.000 0.267 375 T C 1.794 176.486 174.700 -0.013 0.000 1.039 375 T CA 1.721 63.777 62.100 -0.073 0.000 1.142 375 T CB -0.486 68.358 68.868 -0.039 0.000 0.866 375 T HN 0.539 nan 8.240 nan 0.000 0.444 376 Q N 1.470 121.290 119.800 0.034 0.000 2.096 376 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 376 Q C 2.815 178.866 176.000 0.085 0.000 0.982 376 Q CA 1.889 57.742 55.803 0.083 0.000 0.850 376 Q CB -0.410 28.420 28.738 0.153 0.000 0.901 376 Q HN 0.820 nan 8.270 nan 0.000 0.422 377 S N 0.220 115.982 115.700 0.102 0.000 2.423 377 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 377 S C 1.884 176.517 174.600 0.056 0.000 1.014 377 S CA 0.686 58.948 58.200 0.102 0.000 0.965 377 S CB -0.337 63.004 63.200 0.234 0.000 0.785 377 S HN 0.302 nan 8.310 nan 0.000 0.495 378 I N 1.079 121.677 120.570 0.047 0.000 2.252 378 I HA -0.101 4.069 4.170 -0.000 0.000 0.245 378 I C 2.164 178.290 176.117 0.014 0.000 1.102 378 I CA 0.899 62.222 61.300 0.040 0.000 1.385 378 I CB -0.280 37.718 38.000 -0.003 0.000 1.064 378 I HN 0.283 nan 8.210 nan 0.000 0.414 379 I N 0.917 121.491 120.570 0.007 0.000 2.252 379 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 379 I C 2.171 178.336 176.117 0.080 0.000 1.102 379 I CA 1.416 62.737 61.300 0.036 0.000 1.385 379 I CB -1.618 36.393 38.000 0.017 0.000 1.064 379 I HN 0.308 nan 8.210 nan 0.000 0.414 380 N N 1.588 120.312 118.700 0.040 0.000 2.104 380 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 380 N C 1.950 177.415 175.510 -0.076 0.000 1.024 380 N CA 1.787 54.846 53.050 0.014 0.000 0.853 380 N CB -0.352 38.160 38.487 0.041 0.000 1.008 380 N HN 0.378 nan 8.380 nan 0.000 0.424 381 A N 0.191 122.909 122.820 -0.170 0.000 1.933 381 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 381 A C 2.176 179.561 177.584 -0.331 0.000 1.175 381 A CA 1.198 52.915 52.037 -0.533 0.000 0.628 381 A CB -0.990 17.508 19.000 -0.837 0.000 0.814 381 A HN 0.450 nan 8.150 nan 0.000 0.444 382 Y N 1.519 121.695 120.300 -0.207 0.000 2.145 382 Y HA -0.233 4.317 4.550 -0.000 0.000 0.286 382 Y C 2.090 177.921 175.900 -0.115 0.000 1.145 382 Y CA 2.153 60.187 58.100 -0.110 0.000 1.148 382 Y CB -0.302 38.106 38.460 -0.086 0.000 0.981 382 Y HN 0.319 nan 8.280 nan 0.000 0.507 383 N N 0.638 119.243 118.700 -0.159 0.000 2.223 383 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 383 N C 1.494 176.892 175.510 -0.186 0.000 1.016 383 N CA 1.793 54.713 53.050 -0.218 0.000 0.863 383 N CB -0.263 38.195 38.487 -0.049 0.000 0.983 383 N HN 0.618 nan 8.380 nan 0.000 0.429 384 E N -0.598 119.517 120.200 -0.141 0.000 2.318 384 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 384 E C 1.407 178.003 176.600 -0.006 0.000 0.998 384 E CA 0.704 57.071 56.400 -0.056 0.000 0.859 384 E CB 0.259 29.938 29.700 -0.035 0.000 0.812 384 E HN 0.365 nan 8.360 nan 0.000 0.492 385 S N -2.442 113.230 115.700 -0.047 0.000 2.631 385 S HA 0.312 4.782 4.470 -0.000 0.000 0.246 385 S C 1.538 176.176 174.600 0.063 0.000 1.068 385 S CA 0.337 58.609 58.200 0.120 0.000 0.995 385 S CB 1.162 64.561 63.200 0.332 0.000 0.944 385 S HN 0.266 nan 8.310 nan 0.000 0.529 386 G N 0.466 109.137 108.800 -0.214 0.000 2.213 386 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.236 386 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.236 386 G C -0.148 174.466 174.900 -0.478 0.000 0.991 386 G CA 0.147 44.956 45.100 -0.485 0.000 0.629 386 G HN 0.524 nan 8.290 nan 0.000 0.517 387 F N 0.247 120.275 119.950 0.130 0.000 2.599 387 F HA 0.757 5.284 4.527 0.000 0.000 0.311 387 F C 0.629 176.624 175.800 0.324 0.000 1.076 387 F CA -1.073 57.110 58.000 0.306 0.000 0.937 387 F CB 1.490 40.559 39.000 0.115 0.000 1.282 387 F HN -0.043 nan 8.300 nan 0.000 0.460 388 M N 4.098 123.996 119.600 0.496 0.000 2.242 388 M HA 0.277 4.757 4.480 -0.000 0.000 0.344 388 M C -2.332 174.201 176.300 0.388 0.000 1.140 388 M CA -1.445 54.047 55.300 0.321 0.000 1.160 388 M CB 0.588 33.295 32.600 0.180 0.000 1.491 388 M HN 0.168 nan 8.290 nan 0.000 0.459 389 P HA 0.116 nan 4.420 nan 0.000 0.274 389 P C -0.668 176.740 177.300 0.181 0.000 1.231 389 P CA 0.025 63.313 63.100 0.315 0.000 0.790 389 P CB 1.157 32.923 31.700 0.109 0.000 0.951 390 E N 0.490 120.751 120.200 0.103 0.000 2.419 390 E HA 0.076 4.426 4.350 -0.000 0.000 0.197 390 E C -0.207 176.283 176.600 -0.183 0.000 0.920 390 E CA 0.729 57.153 56.400 0.039 0.000 1.085 390 E CB -0.019 29.788 29.700 0.178 0.000 1.084 390 E HN 0.480 nan 8.360 nan 0.000 0.490 391 W N 0.932 122.184 121.300 -0.080 0.000 2.417 391 W HA 0.569 5.229 4.660 -0.000 0.000 0.315 391 W C -0.838 175.620 176.519 -0.101 0.000 1.045 391 W CA -0.333 56.951 57.345 -0.102 0.000 1.221 391 W CB 1.585 31.028 29.460 -0.029 0.000 1.309 391 W HN -0.011 nan 8.180 nan 0.000 0.453 392 A N 3.171 126.119 122.820 0.214 0.000 2.356 392 A HA 0.719 5.039 4.320 -0.000 0.000 0.310 392 A C -0.816 176.848 177.584 0.134 0.000 1.075 392 A CA -0.545 51.542 52.037 0.083 0.000 0.746 392 A CB 1.857 20.833 19.000 -0.041 0.000 1.221 392 A HN 0.330 nan 8.150 nan 0.000 0.443 393 S N 3.610 119.279 115.700 -0.052 0.000 2.612 393 S HA 0.427 4.897 4.470 -0.000 0.000 0.167 393 S C -2.504 171.787 174.600 -0.515 0.000 0.961 393 S CA -0.410 57.716 58.200 -0.123 0.000 1.085 393 S CB 1.095 64.378 63.200 0.140 0.000 1.477 393 S HN 0.519 nan 8.310 nan 0.000 0.413 394 P HA 0.248 nan 4.420 nan 0.000 0.234 394 P C 0.985 177.785 177.300 -0.833 0.000 1.175 394 P CA 0.386 62.912 63.100 -0.956 0.000 0.801 394 P CB 0.154 31.021 31.700 -1.389 0.000 0.891 395 G N -0.407 107.916 108.800 -0.796 0.000 2.606 395 G HA2 0.187 4.147 3.960 -0.000 0.000 0.262 395 G HA3 0.187 4.147 3.960 -0.000 0.000 0.262 395 G C -0.489 174.137 174.900 -0.455 0.000 1.394 395 G CA -0.396 44.128 45.100 -0.960 0.000 1.044 395 G HN 0.087 nan 8.290 nan 0.000 0.553 396 H N 0.874 119.857 119.070 -0.144 0.000 3.070 396 H HA 0.164 4.720 4.556 -0.000 0.000 0.313 396 H C 0.273 175.534 175.328 -0.111 0.000 0.997 396 H CA 0.613 56.652 56.048 -0.015 0.000 1.438 396 H CB 0.417 30.177 29.762 -0.004 0.000 1.455 396 H HN 0.120 nan 8.280 nan 0.000 0.575 397 R N 1.612 122.155 120.500 0.071 0.000 2.621 397 R HA 0.267 4.607 4.340 -0.000 0.000 0.292 397 R C 0.277 176.554 176.300 -0.039 0.000 0.969 397 R CA -0.952 55.127 56.100 -0.035 0.000 0.887 397 R CB 2.046 32.297 30.300 -0.082 0.000 1.180 397 R HN 0.771 nan 8.270 nan 0.000 0.450 398 G N 1.024 109.763 108.800 -0.101 0.000 2.428 398 G HA2 0.300 4.260 3.960 -0.000 0.000 0.293 398 G HA3 0.300 4.260 3.960 -0.000 0.000 0.293 398 G C -0.355 174.474 174.900 -0.119 0.000 1.059 398 G CA 0.017 45.056 45.100 -0.100 0.000 1.194 398 G HN 0.511 nan 8.290 nan 0.000 0.435 399 C N 5.482 124.737 119.300 -0.075 0.000 3.146 399 C HA 0.608 5.067 4.460 -0.000 0.000 0.405 399 C C 0.025 175.037 174.990 0.036 0.000 1.012 399 C CA -0.633 58.307 59.018 -0.131 0.000 1.217 399 C CB 0.321 27.784 27.740 -0.460 0.000 1.599 399 C HN 1.013 nan 8.230 nan 0.000 0.567 400 M N 3.011 122.568 119.600 -0.072 0.000 7.319 400 M HA -0.207 4.273 4.480 -0.000 0.000 0.142 400 M C -0.221 175.998 176.300 -0.136 0.000 0.480 400 M CA 2.083 57.270 55.300 -0.188 0.000 1.311 400 M CB -1.955 30.564 32.600 -0.137 0.000 0.421 400 M HN 1.163 nan 8.290 nan 0.000 0.209 401 I N -3.096 117.368 120.570 -0.177 0.000 3.334 401 I HA 0.882 5.052 4.170 -0.000 0.000 0.316 401 I C 0.342 176.598 176.117 0.233 0.000 1.251 401 I CA -0.237 61.057 61.300 -0.009 0.000 0.929 401 I CB 1.868 39.802 38.000 -0.109 0.000 1.317 401 I HN 1.678 nan 8.210 nan 0.000 0.479 402 G N 2.069 111.060 108.800 0.318 0.000 2.712 402 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.683 402 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.683 402 G C -1.083 174.027 174.900 0.351 0.000 1.320 402 G CA -0.304 45.061 45.100 0.441 0.000 0.847 402 G HN 0.902 nan 8.290 nan 0.000 0.553 403 N N 0.543 119.409 118.700 0.277 0.000 2.610 403 N HA 0.178 4.918 4.740 -0.000 0.000 0.309 403 N C 1.013 176.562 175.510 0.064 0.000 1.536 403 N CA -0.187 52.938 53.050 0.126 0.000 0.954 403 N CB 0.241 38.732 38.487 0.006 0.000 1.310 403 N HN 0.539 nan 8.380 nan 0.000 0.502 404 N N -0.414 118.360 118.700 0.124 0.000 2.494 404 N HA -0.113 4.627 4.740 -0.000 0.000 0.182 404 N C 1.795 177.275 175.510 -0.050 0.000 1.076 404 N CA 0.515 53.545 53.050 -0.033 0.000 0.908 404 N CB 0.233 38.699 38.487 -0.036 0.000 0.967 404 N HN 0.227 nan 8.380 nan 0.000 0.449 405 S N 0.022 115.784 115.700 0.103 0.000 2.392 405 S HA -0.183 4.287 4.470 -0.000 0.000 0.232 405 S C 1.945 176.396 174.600 -0.249 0.000 1.041 405 S CA 1.125 59.282 58.200 -0.072 0.000 1.026 405 S CB -0.832 62.481 63.200 0.188 0.000 0.845 405 S HN 0.078 nan 8.310 nan 0.000 0.465 406 V N 1.618 121.404 119.914 -0.214 0.000 2.358 406 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 406 V C 2.987 178.878 176.094 -0.338 0.000 1.047 406 V CA 1.894 64.004 62.300 -0.317 0.000 1.035 406 V CB -1.171 30.462 31.823 -0.315 0.000 0.658 406 V HN 0.700 nan 8.190 nan 0.000 0.452 407 S N -0.280 115.249 115.700 -0.284 0.000 2.370 407 S HA -0.191 4.279 4.470 -0.000 0.000 0.226 407 S C 1.940 176.444 174.600 -0.161 0.000 1.033 407 S CA 1.645 59.731 58.200 -0.189 0.000 1.011 407 S CB -0.294 62.855 63.200 -0.085 0.000 0.852 407 S HN 0.361 nan 8.310 nan 0.000 0.457 408 L N 1.529 122.588 121.223 -0.272 0.000 1.990 408 L HA -0.078 4.262 4.340 -0.000 0.000 0.213 408 L C 2.413 179.134 176.870 -0.247 0.000 1.072 408 L CA 1.676 56.318 54.840 -0.330 0.000 0.755 408 L CB -0.823 40.821 42.059 -0.691 0.000 0.889 408 L HN 0.367 nan 8.230 nan 0.000 0.432 409 L N -1.910 119.133 121.223 -0.300 0.000 2.017 409 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 409 L C 2.386 179.131 176.870 -0.208 0.000 1.073 409 L CA 0.832 55.510 54.840 -0.270 0.000 0.745 409 L CB -0.625 41.179 42.059 -0.425 0.000 0.894 409 L HN 0.092 nan 8.230 nan 0.000 0.432 410 V N -0.296 119.447 119.914 -0.284 0.000 2.379 410 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 410 V C 2.136 178.225 176.094 -0.009 0.000 1.044 410 V CA 1.929 64.120 62.300 -0.182 0.000 1.036 410 V CB -0.430 31.220 31.823 -0.288 0.000 0.664 410 V HN 0.440 nan 8.190 nan 0.000 0.453 411 D N 0.518 120.902 120.400 -0.028 0.000 2.104 411 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 411 D C 2.126 178.424 176.300 -0.003 0.000 0.994 411 D CA 1.652 55.655 54.000 0.005 0.000 0.830 411 D CB -0.133 40.682 40.800 0.025 0.000 0.959 411 D HN 0.356 nan 8.370 nan 0.000 0.452 412 A N 0.420 123.247 122.820 0.012 0.000 1.877 412 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 412 A C 2.310 179.928 177.584 0.058 0.000 1.186 412 A CA 1.436 53.486 52.037 0.021 0.000 0.620 412 A CB -1.482 17.534 19.000 0.027 0.000 0.822 412 A HN 0.623 nan 8.150 nan 0.000 0.443 413 W N 0.180 121.455 121.300 -0.041 0.000 2.335 413 W HA -0.186 4.474 4.660 -0.000 0.000 0.311 413 W C 1.576 178.100 176.519 0.008 0.000 1.213 413 W CA 2.152 59.515 57.345 0.029 0.000 1.274 413 W CB -0.263 29.299 29.460 0.169 0.000 1.148 413 W HN 0.272 nan 8.180 nan 0.000 0.498 414 M N 0.458 120.186 119.600 0.213 0.000 2.630 414 M HA -0.077 4.403 4.480 -0.000 0.000 0.254 414 M C 1.194 177.478 176.300 -0.026 0.000 1.092 414 M CA 1.267 56.625 55.300 0.097 0.000 1.087 414 M CB -1.064 31.579 32.600 0.072 0.000 1.453 414 M HN -0.032 nan 8.290 nan 0.000 0.509 415 K N -0.404 119.939 120.400 -0.094 0.000 2.372 415 K HA 0.323 4.643 4.320 -0.000 0.000 0.200 415 K C 0.955 177.504 176.600 -0.086 0.000 1.022 415 K CA 0.375 56.555 56.287 -0.179 0.000 1.125 415 K CB 0.454 32.657 32.500 -0.494 0.000 0.855 415 K HN 0.434 nan 8.250 nan 0.000 0.524 416 G N 1.765 110.476 108.800 -0.149 0.000 2.157 416 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.248 416 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.248 416 G C 0.061 174.837 174.900 -0.206 0.000 0.979 416 G CA -0.368 44.617 45.100 -0.191 0.000 0.650 416 G HN 0.251 nan 8.290 nan 0.000 0.529 417 I N 1.381 121.846 120.570 -0.174 0.000 2.281 417 I HA 0.315 4.485 4.170 -0.000 0.000 0.293 417 I C 0.393 176.394 176.117 -0.194 0.000 1.085 417 I CA 0.142 61.369 61.300 -0.123 0.000 1.257 417 I CB 0.928 38.909 38.000 -0.032 0.000 1.430 417 I HN 0.136 nan 8.210 nan 0.000 0.489 418 Q N 4.353 123.990 119.800 -0.273 0.000 3.300 418 Q HA 0.166 4.505 4.340 -0.000 0.000 0.271 418 Q C 0.599 176.537 176.000 -0.103 0.000 0.926 418 Q CA -0.203 55.348 55.803 -0.419 0.000 0.788 418 Q CB 1.160 29.224 28.738 -1.125 0.000 1.385 418 Q HN 0.754 nan 8.270 nan 0.000 0.424 419 T N -3.870 110.712 114.554 0.046 0.000 3.022 419 T HA 0.158 4.508 4.350 -0.000 0.000 0.250 419 T C 0.868 175.651 174.700 0.139 0.000 1.060 419 T CA 0.048 62.194 62.100 0.076 0.000 1.013 419 T CB 0.087 68.991 68.868 0.060 0.000 0.982 419 T HN 0.260 nan 8.240 nan 0.000 0.508 420 V N -0.134 119.912 119.914 0.221 0.000 2.863 420 V HA 0.576 4.696 4.120 -0.000 0.000 0.307 420 V C -0.284 175.961 176.094 0.251 0.000 1.061 420 V CA -1.362 61.055 62.300 0.194 0.000 1.024 420 V CB 1.034 32.935 31.823 0.131 0.000 1.049 420 V HN 0.189 nan 8.190 nan 0.000 0.471 421 D N 1.909 122.397 120.400 0.146 0.000 2.401 421 D HA 0.434 5.074 4.640 -0.000 0.000 0.254 421 D C 1.066 177.414 176.300 0.079 0.000 1.192 421 D CA 0.679 54.752 54.000 0.122 0.000 0.885 421 D CB 1.605 42.444 40.800 0.065 0.000 1.147 421 D HN 0.885 nan 8.370 nan 0.000 0.478 422 A N 4.655 127.525 122.820 0.084 0.000 1.883 422 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 422 A C 1.939 179.458 177.584 -0.108 0.000 1.186 422 A CA 1.188 53.151 52.037 -0.123 0.000 0.624 422 A CB -0.429 18.459 19.000 -0.187 0.000 0.822 422 A HN 0.709 nan 8.150 nan 0.000 0.444 423 E N -0.272 119.886 120.200 -0.070 0.000 2.072 423 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 423 E C 2.009 178.567 176.600 -0.069 0.000 0.985 423 E CA 1.537 57.894 56.400 -0.072 0.000 0.801 423 E CB -0.279 29.391 29.700 -0.050 0.000 0.750 423 E HN 0.571 nan 8.360 nan 0.000 0.452 424 K N 1.502 121.871 120.400 -0.051 0.000 2.057 424 K HA -0.060 4.260 4.320 -0.000 0.000 0.207 424 K C 1.950 178.449 176.600 -0.169 0.000 1.049 424 K CA 1.512 57.758 56.287 -0.068 0.000 0.931 424 K CB -0.523 31.968 32.500 -0.015 0.000 0.714 424 K HN 0.054 nan 8.250 nan 0.000 0.440 425 A N 0.691 123.415 122.820 -0.160 0.000 1.883 425 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 425 A C 2.158 179.550 177.584 -0.319 0.000 1.186 425 A CA 1.727 53.596 52.037 -0.280 0.000 0.624 425 A CB -0.833 17.989 19.000 -0.296 0.000 0.822 425 A HN 0.377 nan 8.150 nan 0.000 0.444 426 L N 0.214 121.361 121.223 -0.128 0.000 2.046 426 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 426 L C 2.342 179.092 176.870 -0.199 0.000 1.077 426 L CA 2.742 57.517 54.840 -0.109 0.000 0.747 426 L CB -0.669 41.369 42.059 -0.036 0.000 0.896 426 L HN 0.638 nan 8.230 nan 0.000 0.432 427 E N -0.443 119.648 120.200 -0.181 0.000 2.038 427 E HA -0.290 4.060 4.350 -0.000 0.000 0.195 427 E C 2.058 178.495 176.600 -0.272 0.000 1.000 427 E CA 1.448 57.748 56.400 -0.167 0.000 0.803 427 E CB -0.250 29.384 29.700 -0.109 0.000 0.750 427 E HN 0.601 nan 8.360 nan 0.000 0.448 428 A N 0.851 123.339 122.820 -0.553 0.000 1.908 428 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 428 A C 2.243 179.566 177.584 -0.435 0.000 1.181 428 A CA 1.934 53.410 52.037 -0.934 0.000 0.627 428 A CB -0.550 17.646 19.000 -1.339 0.000 0.818 428 A HN 0.343 nan 8.150 nan 0.000 0.445 429 M N -0.744 118.622 119.600 -0.389 0.000 2.067 429 M HA -0.089 4.391 4.480 -0.000 0.000 0.260 429 M C 2.143 178.294 176.300 -0.248 0.000 1.069 429 M CA 1.630 56.729 55.300 -0.335 0.000 1.117 429 M CB -0.529 31.809 32.600 -0.437 0.000 1.334 429 M HN 0.379 nan 8.290 nan 0.000 0.407 430 I N -0.802 119.637 120.570 -0.219 0.000 2.163 430 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 430 I C 2.573 178.649 176.117 -0.068 0.000 1.085 430 I CA 1.696 62.931 61.300 -0.108 0.000 1.347 430 I CB -0.685 37.283 38.000 -0.054 0.000 1.044 430 I HN 0.357 nan 8.210 nan 0.000 0.408 431 H N 0.933 119.912 119.070 -0.151 0.000 2.352 431 H HA -0.274 4.282 4.556 -0.000 0.000 0.299 431 H C 2.167 177.424 175.328 -0.119 0.000 1.097 431 H CA 2.060 58.023 56.048 -0.142 0.000 1.311 431 H CB -0.089 29.614 29.762 -0.098 0.000 1.377 431 H HN 0.197 nan 8.280 nan 0.000 0.504 432 Q N -0.172 119.555 119.800 -0.122 0.000 2.234 432 Q HA -0.107 4.233 4.340 -0.000 0.000 0.206 432 Q C 2.043 177.921 176.000 -0.204 0.000 0.980 432 Q CA 1.970 57.721 55.803 -0.087 0.000 0.869 432 Q CB -0.190 28.527 28.738 -0.035 0.000 0.912 432 Q HN 0.697 nan 8.270 nan 0.000 0.436 433 T N -3.715 110.695 114.554 -0.239 0.000 3.040 433 T HA 0.137 4.487 4.350 -0.000 0.000 0.250 433 T C 0.991 175.457 174.700 -0.389 0.000 1.058 433 T CA -0.153 61.787 62.100 -0.268 0.000 0.988 433 T CB 0.297 69.108 68.868 -0.095 0.000 0.993 433 T HN 0.061 nan 8.240 nan 0.000 0.519 434 Q N 0.632 120.104 119.800 -0.547 0.000 2.135 434 Q HA 0.649 4.989 4.340 -0.000 0.000 0.222 434 Q C -0.054 175.130 176.000 -1.359 0.000 0.808 434 Q CA -0.061 55.248 55.803 -0.824 0.000 1.049 434 Q CB 1.491 30.021 28.738 -0.346 0.000 1.168 434 Q HN 0.693 nan 8.270 nan 0.000 0.483 435 A N 0.362 122.450 122.820 -1.220 0.000 2.612 435 A HA 0.801 5.121 4.320 -0.000 0.000 0.293 435 A C -1.302 176.166 177.584 -0.193 0.000 1.075 435 A CA -0.646 50.961 52.037 -0.716 0.000 0.680 435 A CB 1.958 20.655 19.000 -0.504 0.000 1.279 435 A HN 0.072 nan 8.150 nan 0.000 0.411 436 R N 0.599 121.175 120.500 0.126 0.000 2.725 436 R HA 0.333 4.673 4.340 -0.000 0.000 0.277 436 R C -1.047 175.191 176.300 -0.104 0.000 0.987 436 R CA -0.668 55.425 56.100 -0.012 0.000 0.901 436 R CB 1.409 31.780 30.300 0.119 0.000 1.207 436 R HN 1.027 nan 8.270 nan 0.000 0.463 437 H N 1.704 120.403 119.070 -0.618 0.000 2.972 437 H HA -0.010 4.546 4.556 -0.000 0.000 0.343 437 H C 0.597 175.845 175.328 -0.134 0.000 1.054 437 H CA 1.305 57.083 56.048 -0.450 0.000 1.412 437 H CB 1.565 30.991 29.762 -0.559 0.000 1.385 437 H HN 0.790 nan 8.280 nan 0.000 0.600 438 A N 4.228 126.903 122.820 -0.242 0.000 1.972 438 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 438 A C 1.841 179.464 177.584 0.064 0.000 1.169 438 A CA 1.886 53.887 52.037 -0.060 0.000 0.635 438 A CB 0.050 18.992 19.000 -0.098 0.000 0.810 438 A HN 0.810 nan 8.150 nan 0.000 0.446 439 E N -1.696 118.660 120.200 0.260 0.000 2.474 439 E HA 0.321 4.671 4.350 -0.000 0.000 0.215 439 E C -0.346 176.306 176.600 0.087 0.000 0.867 439 E CA -0.031 56.468 56.400 0.165 0.000 1.135 439 E CB 0.689 30.472 29.700 0.139 0.000 1.147 439 E HN 0.545 nan 8.360 nan 0.000 0.534 440 I N 1.250 121.856 120.570 0.061 0.000 2.330 440 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 440 I C 0.938 176.980 176.117 -0.126 0.000 1.025 440 I CA -0.500 60.700 61.300 -0.166 0.000 1.197 440 I CB 1.679 39.411 38.000 -0.447 0.000 1.358 440 I HN 0.027 nan 8.210 nan 0.000 0.467 441 A N 4.042 126.818 122.820 -0.072 0.000 2.019 441 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 441 A C 2.185 179.740 177.584 -0.047 0.000 1.164 441 A CA 1.903 53.914 52.037 -0.043 0.000 0.644 441 A CB -0.354 18.634 19.000 -0.021 0.000 0.805 441 A HN 0.756 nan 8.150 nan 0.000 0.449 442 S N -1.185 114.476 115.700 -0.064 0.000 2.603 442 S HA 0.234 4.704 4.470 -0.000 0.000 0.220 442 S C 0.211 174.772 174.600 -0.064 0.000 0.967 442 S CA 0.134 58.320 58.200 -0.023 0.000 0.920 442 S CB -0.268 62.942 63.200 0.015 0.000 0.773 442 S HN 0.097 nan 8.310 nan 0.000 0.529 443 V N 2.383 122.176 119.914 -0.201 0.000 2.328 443 V HA 0.702 4.822 4.120 -0.000 0.000 0.278 443 V C 0.978 176.767 176.094 -0.509 0.000 1.021 443 V CA 0.356 62.436 62.300 -0.367 0.000 0.838 443 V CB -0.183 31.255 31.823 -0.642 0.000 0.999 443 V HN 0.753 nan 8.190 nan 0.000 0.447 444 G N 5.124 113.758 108.800 -0.276 0.000 2.484 444 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.225 444 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.225 444 G C -0.234 174.596 174.900 -0.116 0.000 1.250 444 G CA 0.063 45.068 45.100 -0.158 0.000 0.926 444 G HN 0.883 nan 8.290 nan 0.000 0.581 445 R N 0.687 121.112 120.500 -0.125 0.000 2.358 445 R HA 0.467 4.807 4.340 -0.000 0.000 0.309 445 R C -0.976 175.356 176.300 0.055 0.000 1.026 445 R CA -0.487 55.506 56.100 -0.178 0.000 0.909 445 R CB 0.623 30.652 30.300 -0.451 0.000 1.153 445 R HN 0.549 nan 8.270 nan 0.000 0.515 446 D N 2.922 123.401 120.400 0.132 0.000 2.450 446 D HA 0.158 4.798 4.640 -0.000 0.000 0.247 446 D C 0.962 177.399 176.300 0.228 0.000 1.162 446 D CA 1.986 56.086 54.000 0.167 0.000 0.879 446 D CB 0.828 41.710 40.800 0.137 0.000 1.163 446 D HN 0.810 nan 8.370 nan 0.000 0.472 447 G N 3.499 112.382 108.800 0.138 0.000 2.137 447 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.237 447 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.237 447 G C 0.823 175.788 174.900 0.109 0.000 1.002 447 G CA 0.393 45.584 45.100 0.151 0.000 0.702 447 G HN 0.589 nan 8.290 nan 0.000 0.515 448 F N -0.001 119.956 119.950 0.012 0.000 2.216 448 F HA 0.168 4.695 4.527 -0.000 0.000 0.300 448 F C 1.917 177.740 175.800 0.037 0.000 1.085 448 F CA 1.680 59.662 58.000 -0.029 0.000 1.326 448 F CB -0.419 38.504 39.000 -0.129 0.000 1.027 448 F HN 0.331 nan 8.300 nan 0.000 0.497 449 E N -0.185 119.559 120.200 -0.760 0.000 2.047 449 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 449 E C 2.001 178.448 176.600 -0.256 0.000 0.987 449 E CA 1.567 57.643 56.400 -0.539 0.000 0.799 449 E CB -0.475 28.761 29.700 -0.773 0.000 0.752 449 E HN 0.450 nan 8.360 nan 0.000 0.449 450 Y N -0.392 119.797 120.300 -0.185 0.000 2.128 450 Y HA -0.282 4.268 4.550 -0.000 0.000 0.284 450 Y C 2.247 178.072 175.900 -0.124 0.000 1.154 450 Y CA 1.547 59.549 58.100 -0.163 0.000 1.149 450 Y CB -0.855 37.512 38.460 -0.155 0.000 0.976 450 Y HN 0.179 nan 8.280 nan 0.000 0.505 451 Y N 1.112 121.443 120.300 0.051 0.000 2.128 451 Y HA -0.283 4.267 4.550 -0.000 0.000 0.284 451 Y C 2.070 177.974 175.900 0.006 0.000 1.154 451 Y CA 2.038 60.167 58.100 0.049 0.000 1.149 451 Y CB -0.409 38.156 38.460 0.174 0.000 0.976 451 Y HN 0.084 nan 8.280 nan 0.000 0.505 452 D N 0.004 120.486 120.400 0.136 0.000 2.144 452 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 452 D C 2.016 178.269 176.300 -0.078 0.000 0.984 452 D CA 1.384 55.395 54.000 0.019 0.000 0.834 452 D CB -0.216 40.639 40.800 0.092 0.000 0.955 452 D HN 0.397 nan 8.370 nan 0.000 0.465 453 K N 0.035 120.387 120.400 -0.081 0.000 2.067 453 K HA 0.057 4.377 4.320 -0.000 0.000 0.203 453 K C 1.910 178.426 176.600 -0.141 0.000 1.048 453 K CA 0.483 56.710 56.287 -0.100 0.000 0.954 453 K CB 0.172 32.617 32.500 -0.092 0.000 0.737 453 K HN 0.084 nan 8.250 nan 0.000 0.444 454 L N -1.156 119.935 121.223 -0.221 0.000 2.513 454 L HA 0.252 4.592 4.340 -0.000 0.000 0.222 454 L C 1.134 177.841 176.870 -0.273 0.000 1.096 454 L CA 0.441 55.085 54.840 -0.327 0.000 0.857 454 L CB 0.606 42.247 42.059 -0.697 0.000 1.026 454 L HN 0.519 nan 8.230 nan 0.000 0.469 455 G N 0.252 108.872 108.800 -0.299 0.000 2.157 455 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.248 455 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.248 455 G C 0.013 174.840 174.900 -0.122 0.000 0.979 455 G CA 0.335 45.284 45.100 -0.252 0.000 0.650 455 G HN 0.483 nan 8.290 nan 0.000 0.529 456 Y N -3.155 117.046 120.300 -0.165 0.000 2.702 456 Y HA 0.624 5.174 4.550 -0.000 0.000 0.336 456 Y C -0.458 175.512 175.900 0.117 0.000 1.203 456 Y CA -1.604 56.507 58.100 0.018 0.000 1.072 456 Y CB 0.738 39.181 38.460 -0.029 0.000 1.327 456 Y HN 0.427 nan 8.280 nan 0.000 0.456 457 V N 3.748 123.842 119.914 0.300 0.000 2.432 457 V HA 0.455 4.575 4.120 -0.000 0.000 0.275 457 V C -2.164 173.984 176.094 0.090 0.000 1.043 457 V CA -1.643 60.743 62.300 0.145 0.000 0.925 457 V CB 0.974 32.898 31.823 0.169 0.000 0.985 457 V HN 0.638 nan 8.190 nan 0.000 0.466 458 P HA 0.307 nan 4.420 nan 0.000 0.286 458 P C -1.564 175.652 177.300 -0.139 0.000 1.261 458 P CA -0.450 62.571 63.100 -0.132 0.000 0.821 458 P CB 1.185 32.620 31.700 -0.442 0.000 1.013 459 Y N 4.136 124.300 120.300 -0.227 0.000 2.446 459 Y HA 0.433 4.983 4.550 -0.000 0.000 0.345 459 Y C -1.898 173.876 175.900 -0.211 0.000 0.984 459 Y CA -2.642 55.314 58.100 -0.239 0.000 1.058 459 Y CB 2.282 40.563 38.460 -0.298 0.000 1.220 459 Y HN 0.208 nan 8.280 nan 0.000 0.455 460 P HA 0.102 nan 4.420 nan 0.000 0.257 460 P C 0.200 177.142 177.300 -0.597 0.000 1.281 460 P CA 0.565 62.870 63.100 -1.324 0.000 0.826 460 P CB 0.514 31.582 31.700 -1.054 0.000 1.237 461 E N -0.215 119.756 120.200 -0.383 0.000 2.097 461 E HA -0.083 4.267 4.350 -0.000 0.000 0.196 461 E C 0.544 177.062 176.600 -0.138 0.000 1.000 461 E CA 1.077 57.329 56.400 -0.247 0.000 0.804 461 E CB -0.334 29.142 29.700 -0.373 0.000 0.740 461 E HN 0.109 nan 8.360 nan 0.000 0.454 462 V N 1.451 121.295 119.914 -0.116 0.000 2.531 462 V HA 0.289 4.409 4.120 -0.000 0.000 0.301 462 V C -2.489 173.640 176.094 0.059 0.000 1.034 462 V CA -2.330 59.964 62.300 -0.010 0.000 0.865 462 V CB 1.900 33.740 31.823 0.028 0.000 0.995 462 V HN -0.073 nan 8.190 nan 0.000 0.424 463 P HA 0.176 nan 4.420 nan 0.000 0.269 463 P C 0.128 177.413 177.300 -0.024 0.000 1.209 463 P CA 0.163 63.315 63.100 0.086 0.000 0.776 463 P CB 0.201 31.915 31.700 0.025 0.000 0.876 464 E N 0.469 120.588 120.200 -0.135 0.000 2.586 464 E HA -0.310 4.040 4.350 -0.000 0.000 0.259 464 E C 0.978 177.373 176.600 -0.340 0.000 1.107 464 E CA 0.397 56.616 56.400 -0.301 0.000 0.754 464 E CB -1.715 27.838 29.700 -0.245 0.000 1.335 464 E HN 0.530 nan 8.360 nan 0.000 0.411 465 A N -0.183 122.474 122.820 -0.271 0.000 1.940 465 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 465 A C 2.276 179.695 177.584 -0.275 0.000 1.176 465 A CA 2.094 54.013 52.037 -0.197 0.000 0.631 465 A CB -0.283 18.673 19.000 -0.073 0.000 0.814 465 A HN 0.353 nan 8.150 nan 0.000 0.446 466 T N -0.146 114.137 114.554 -0.451 0.000 2.809 466 T HA 0.111 4.461 4.350 -0.000 0.000 0.260 466 T C 2.306 176.786 174.700 -0.366 0.000 1.039 466 T CA 1.314 63.181 62.100 -0.388 0.000 1.141 466 T CB -0.444 68.060 68.868 -0.606 0.000 0.869 466 T HN 0.584 nan 8.240 nan 0.000 0.437 467 A N 1.950 124.378 122.820 -0.652 0.000 1.892 467 A HA -0.203 4.116 4.320 -0.000 0.000 0.218 467 A C 2.231 179.504 177.584 -0.517 0.000 1.188 467 A CA 1.906 53.358 52.037 -0.975 0.000 0.631 467 A CB -0.527 17.553 19.000 -1.533 0.000 0.822 467 A HN 0.465 nan 8.150 nan 0.000 0.447 468 K N -1.053 119.048 120.400 -0.499 0.000 2.032 468 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 468 K C 2.161 178.218 176.600 -0.904 0.000 1.048 468 K CA 1.838 57.693 56.287 -0.720 0.000 0.927 468 K CB -0.479 31.628 32.500 -0.654 0.000 0.712 468 K HN 0.505 nan 8.250 nan 0.000 0.441 469 T N 1.896 116.218 114.554 -0.388 0.000 2.684 469 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 469 T C 1.831 176.611 174.700 0.133 0.000 1.036 469 T CA 1.241 63.343 62.100 0.004 0.000 1.148 469 T CB -0.227 68.758 68.868 0.195 0.000 0.863 469 T HN 0.109 nan 8.240 nan 0.000 0.436 470 L N 0.659 121.953 121.223 0.118 0.000 2.093 470 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 470 L C 2.884 179.913 176.870 0.264 0.000 1.085 470 L CA 1.116 56.111 54.840 0.260 0.000 0.755 470 L CB -0.500 41.766 42.059 0.344 0.000 0.904 470 L HN 0.205 nan 8.230 nan 0.000 0.435 471 E N -0.428 119.899 120.200 0.211 0.000 2.106 471 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 471 E C 2.212 179.019 176.600 0.345 0.000 0.984 471 E CA 1.210 57.798 56.400 0.314 0.000 0.806 471 E CB -0.157 29.747 29.700 0.341 0.000 0.750 471 E HN 0.487 nan 8.360 nan 0.000 0.458 472 Y N 0.810 121.181 120.300 0.118 0.000 2.200 472 Y HA -0.034 4.516 4.550 0.000 0.000 0.290 472 Y C 2.491 178.450 175.900 0.099 0.000 1.137 472 Y CA 0.311 58.387 58.100 -0.040 0.000 1.163 472 Y CB -1.280 36.895 38.460 -0.475 0.000 0.988 472 Y HN -0.007 nan 8.280 nan 0.000 0.518 473 A N -0.504 122.565 122.820 0.415 0.000 1.940 473 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 473 A C 2.168 179.839 177.584 0.144 0.000 1.176 473 A CA 1.752 54.030 52.037 0.402 0.000 0.631 473 A CB -1.336 17.973 19.000 0.514 0.000 0.814 473 A HN 0.538 nan 8.150 nan 0.000 0.446 474 Y N 0.485 120.749 120.300 -0.059 0.000 2.200 474 Y HA 0.031 4.581 4.550 0.000 0.000 0.290 474 Y C 2.559 178.448 175.900 -0.018 0.000 1.137 474 Y CA 1.057 58.987 58.100 -0.283 0.000 1.163 474 Y CB -0.618 37.768 38.460 -0.124 0.000 0.988 474 Y HN 0.280 nan 8.280 nan 0.000 0.518 475 A N 0.318 123.068 122.820 -0.117 0.000 1.902 475 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 475 A C 1.920 179.401 177.584 -0.171 0.000 1.181 475 A CA 1.922 53.814 52.037 -0.241 0.000 0.623 475 A CB -0.837 18.120 19.000 -0.071 0.000 0.818 475 A HN 0.548 nan 8.150 nan 0.000 0.443 476 D N -1.344 119.065 120.400 0.015 0.000 2.117 476 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 476 D C 1.555 177.873 176.300 0.030 0.000 0.987 476 D CA 1.332 55.427 54.000 0.158 0.000 0.829 476 D CB -0.498 40.485 40.800 0.306 0.000 0.961 476 D HN 0.771 nan 8.370 nan 0.000 0.460 477 W N 1.304 122.472 121.300 -0.220 0.000 2.338 477 W HA -0.275 4.385 4.660 0.000 0.000 0.304 477 W C 2.288 178.631 176.519 -0.293 0.000 1.212 477 W CA 1.248 58.447 57.345 -0.244 0.000 1.264 477 W CB -0.449 28.826 29.460 -0.309 0.000 1.142 477 W HN -0.037 nan 8.180 nan 0.000 0.512 478 C N 0.299 119.388 119.300 -0.351 0.000 2.432 478 C HA -0.191 4.269 4.460 -0.000 0.000 0.277 478 C C 2.712 177.374 174.990 -0.547 0.000 1.249 478 C CA 1.321 60.010 59.018 -0.548 0.000 1.725 478 C CB -1.467 25.985 27.740 -0.480 0.000 2.028 478 C HN 0.372 nan 8.230 nan 0.000 0.477 479 I N 1.424 121.693 120.570 -0.502 0.000 2.264 479 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 479 I C 2.738 178.526 176.117 -0.548 0.000 1.111 479 I CA 1.625 62.586 61.300 -0.565 0.000 1.382 479 I CB -0.581 36.903 38.000 -0.861 0.000 1.060 479 I HN 0.301 nan 8.210 nan 0.000 0.418 480 A N 0.791 123.241 122.820 -0.618 0.000 1.877 480 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 480 A C 2.411 179.549 177.584 -0.744 0.000 1.186 480 A CA 1.235 52.788 52.037 -0.808 0.000 0.620 480 A CB -0.455 17.659 19.000 -1.477 0.000 0.822 480 A HN 0.239 nan 8.150 nan 0.000 0.443 481 R N -1.628 118.419 120.500 -0.754 0.000 2.091 481 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 481 R C 1.954 178.091 176.300 -0.271 0.000 1.136 481 R CA 1.652 57.462 56.100 -0.484 0.000 0.959 481 R CB -1.009 28.850 30.300 -0.735 0.000 0.856 481 R HN 0.618 nan 8.270 nan 0.000 0.437 482 F N 1.229 120.902 119.950 -0.461 0.000 2.060 482 F HA -0.132 4.395 4.527 -0.000 0.000 0.295 482 F C 2.408 177.982 175.800 -0.377 0.000 1.120 482 F CA 1.362 59.103 58.000 -0.431 0.000 1.205 482 F CB -0.704 37.985 39.000 -0.519 0.000 0.986 482 F HN 0.036 nan 8.300 nan 0.000 0.470 483 A N -0.130 122.487 122.820 -0.339 0.000 1.917 483 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 483 A C 2.249 179.674 177.584 -0.265 0.000 1.182 483 A CA 2.111 53.944 52.037 -0.340 0.000 0.633 483 A CB -1.208 17.645 19.000 -0.245 0.000 0.819 483 A HN 0.606 nan 8.150 nan 0.000 0.448 484 E N 0.084 120.167 120.200 -0.195 0.000 2.058 484 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 484 E C 2.205 178.749 176.600 -0.094 0.000 0.997 484 E CA 1.699 58.054 56.400 -0.075 0.000 0.801 484 E CB -0.161 29.565 29.700 0.044 0.000 0.746 484 E HN 0.752 nan 8.360 nan 0.000 0.450 485 S N 0.105 115.721 115.700 -0.140 0.000 2.447 485 S HA -0.077 4.393 4.470 -0.000 0.000 0.233 485 S C 1.851 176.372 174.600 -0.132 0.000 1.006 485 S CA 0.622 58.767 58.200 -0.091 0.000 0.957 485 S CB -0.291 62.895 63.200 -0.023 0.000 0.773 485 S HN 0.319 nan 8.310 nan 0.000 0.507 486 L N 0.630 121.688 121.223 -0.275 0.000 2.558 486 L HA 0.311 4.651 4.340 -0.000 0.000 0.225 486 L C 1.905 178.688 176.870 -0.145 0.000 1.128 486 L CA 0.392 55.078 54.840 -0.257 0.000 0.868 486 L CB -0.732 41.063 42.059 -0.440 0.000 1.006 486 L HN 0.603 nan 8.230 nan 0.000 0.454 487 G N 0.759 109.494 108.800 -0.109 0.000 2.141 487 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.242 487 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.242 487 G C 0.251 175.115 174.900 -0.061 0.000 0.982 487 G CA -0.188 44.875 45.100 -0.061 0.000 0.662 487 G HN 0.390 nan 8.290 nan 0.000 0.527 488 K N 0.294 120.639 120.400 -0.091 0.000 2.265 488 K HA 0.353 4.673 4.320 -0.000 0.000 0.242 488 K C 1.260 177.838 176.600 -0.037 0.000 1.137 488 K CA -0.441 55.803 56.287 -0.073 0.000 1.082 488 K CB 0.858 33.292 32.500 -0.110 0.000 1.731 488 K HN 0.174 nan 8.250 nan 0.000 0.392 489 Q N 1.269 121.066 119.800 -0.005 0.000 2.167 489 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 489 Q C 0.827 176.856 176.000 0.050 0.000 0.970 489 Q CA 1.771 57.594 55.803 0.034 0.000 0.855 489 Q CB 0.211 28.973 28.738 0.041 0.000 0.911 489 Q HN 0.437 nan 8.270 nan 0.000 0.438 490 D N -0.536 119.883 120.400 0.031 0.000 2.097 490 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 490 D C 1.744 178.075 176.300 0.051 0.000 0.984 490 D CA 1.056 55.079 54.000 0.039 0.000 0.826 490 D CB -0.096 40.718 40.800 0.023 0.000 0.973 490 D HN 0.317 nan 8.370 nan 0.000 0.460 491 I N 1.008 121.601 120.570 0.038 0.000 2.179 491 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 491 I C 2.458 178.636 176.117 0.100 0.000 1.088 491 I CA 1.016 62.361 61.300 0.075 0.000 1.357 491 I CB -0.250 37.761 38.000 0.019 0.000 1.051 491 I HN -0.076 nan 8.210 nan 0.000 0.409 492 A N 0.723 123.553 122.820 0.017 0.000 1.892 492 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 492 A C 1.964 179.599 177.584 0.085 0.000 1.188 492 A CA 2.321 54.333 52.037 -0.042 0.000 0.631 492 A CB -0.701 18.299 19.000 -0.000 0.000 0.822 492 A HN 0.369 nan 8.150 nan 0.000 0.447 493 D N -0.605 119.904 120.400 0.182 0.000 2.144 493 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 493 D C 2.161 178.556 176.300 0.159 0.000 0.984 493 D CA 1.288 55.427 54.000 0.233 0.000 0.834 493 D CB -0.431 40.467 40.800 0.162 0.000 0.955 493 D HN 0.623 nan 8.370 nan 0.000 0.465 494 Q N -0.720 119.136 119.800 0.093 0.000 2.096 494 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 494 Q C 1.955 177.898 176.000 -0.094 0.000 0.982 494 Q CA 1.181 56.979 55.803 -0.009 0.000 0.850 494 Q CB -0.115 28.599 28.738 -0.041 0.000 0.901 494 Q HN 0.450 nan 8.270 nan 0.000 0.422 495 Y N -1.640 118.633 120.300 -0.045 0.000 2.286 495 Y HA -0.171 4.379 4.550 -0.000 0.000 0.293 495 Y C 1.855 177.724 175.900 -0.051 0.000 1.124 495 Y CA 0.798 58.845 58.100 -0.089 0.000 1.178 495 Y CB -0.042 38.296 38.460 -0.204 0.000 1.010 495 Y HN 0.126 nan 8.280 nan 0.000 0.536 496 Y N 0.201 120.585 120.300 0.141 0.000 2.315 496 Y HA -0.300 4.249 4.550 -0.000 0.000 0.288 496 Y C 2.516 178.470 175.900 0.090 0.000 1.154 496 Y CA 1.537 59.698 58.100 0.101 0.000 1.229 496 Y CB -0.759 37.830 38.460 0.215 0.000 0.980 496 Y HN 0.188 nan 8.280 nan 0.000 0.540 497 Q N 0.499 120.435 119.800 0.227 0.000 2.291 497 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 497 Q C 1.523 177.574 176.000 0.084 0.000 0.976 497 Q CA 1.596 57.482 55.803 0.139 0.000 0.875 497 Q CB -0.000 28.777 28.738 0.065 0.000 0.927 497 Q HN 0.352 nan 8.270 nan 0.000 0.450 498 K N -1.282 119.165 120.400 0.077 0.000 2.352 498 K HA 0.217 4.537 4.320 -0.000 0.000 0.194 498 K C 1.817 178.526 176.600 0.183 0.000 1.038 498 K CA 0.444 56.784 56.287 0.088 0.000 1.023 498 K CB 0.275 32.839 32.500 0.107 0.000 0.840 498 K HN 0.174 nan 8.250 nan 0.000 0.519 499 A N 2.611 125.539 122.820 0.179 0.000 1.940 499 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 499 A C -0.776 177.036 177.584 0.380 0.000 1.176 499 A CA 1.237 53.422 52.037 0.247 0.000 0.631 499 A CB -1.160 17.886 19.000 0.077 0.000 0.814 499 A HN 0.147 nan 8.150 nan 0.000 0.446 500 P HA 0.082 nan 4.420 nan 0.000 0.257 500 P C 0.222 177.394 177.300 -0.213 0.000 1.325 500 P CA 0.021 63.104 63.100 -0.028 0.000 0.850 500 P CB -0.083 31.622 31.700 0.007 0.000 1.324 501 N N 0.222 118.953 118.700 0.051 0.000 2.364 501 N HA -0.182 4.558 4.740 -0.000 0.000 0.183 501 N C 1.575 177.138 175.510 0.088 0.000 1.022 501 N CA 0.990 54.070 53.050 0.050 0.000 0.883 501 N CB -0.944 37.601 38.487 0.097 0.000 0.965 501 N HN 0.420 nan 8.380 nan 0.000 0.438 502 Y N 0.468 120.891 120.300 0.205 0.000 2.241 502 Y HA -0.097 4.453 4.550 -0.000 0.000 0.286 502 Y C 1.968 177.968 175.900 0.167 0.000 1.166 502 Y CA 1.038 59.251 58.100 0.188 0.000 1.203 502 Y CB -0.744 37.807 38.460 0.153 0.000 0.977 502 Y HN -0.092 nan 8.280 nan 0.000 0.529 503 R N 0.836 121.051 120.500 -0.474 0.000 2.152 503 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 503 R C 1.500 177.819 176.300 0.031 0.000 1.117 503 R CA 1.546 57.510 56.100 -0.228 0.000 0.981 503 R CB -0.604 29.478 30.300 -0.362 0.000 0.870 503 R HN 0.604 nan 8.270 nan 0.000 0.451 504 N N 0.182 118.892 118.700 0.016 0.000 2.512 504 N HA -0.051 4.689 4.740 -0.000 0.000 0.183 504 N C 0.885 176.385 175.510 -0.017 0.000 1.073 504 N CA 0.488 53.545 53.050 0.012 0.000 0.911 504 N CB 0.209 38.719 38.487 0.039 0.000 0.964 504 N HN 0.167 nan 8.380 nan 0.000 0.447 505 L N -0.764 120.551 121.223 0.154 0.000 2.858 505 L HA 0.199 4.539 4.340 -0.000 0.000 0.251 505 L C -0.411 176.769 176.870 0.517 0.000 1.149 505 L CA -0.399 54.597 54.840 0.260 0.000 0.955 505 L CB 0.223 42.389 42.059 0.179 0.000 1.289 505 L HN 0.187 nan 8.230 nan 0.000 0.542 506 Y N 0.675 121.174 120.300 0.332 0.000 2.436 506 Y HA 0.055 4.605 4.550 0.000 0.000 0.336 506 Y C -0.315 175.743 175.900 0.264 0.000 1.049 506 Y CA -0.232 58.028 58.100 0.265 0.000 1.294 506 Y CB 0.289 38.842 38.460 0.156 0.000 1.179 506 Y HN -0.026 nan 8.280 nan 0.000 0.520 507 Y N 10.738 130.756 120.300 -0.471 0.000 2.595 507 Y HA 0.291 4.841 4.550 -0.000 0.000 0.347 507 Y C -1.751 173.745 175.900 -0.673 0.000 1.025 507 Y CA -3.769 53.831 58.100 -0.833 0.000 1.295 507 Y CB 0.652 38.461 38.460 -1.086 0.000 1.147 507 Y HN 0.533 nan 8.280 nan 0.000 0.515 508 P HA -0.146 nan 4.420 nan 0.000 0.219 508 P C 0.921 178.062 177.300 -0.264 0.000 1.150 508 P CA 1.230 64.295 63.100 -0.058 0.000 0.814 508 P CB 0.637 32.407 31.700 0.117 0.000 0.787 509 E N -0.854 119.114 120.200 -0.386 0.000 2.130 509 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 509 E C 1.890 177.911 176.600 -0.966 0.000 0.998 509 E CA 1.306 57.301 56.400 -0.675 0.000 0.806 509 E CB -0.610 28.575 29.700 -0.859 0.000 0.738 509 E HN 0.521 nan 8.360 nan 0.000 0.459 510 H N -2.735 115.794 119.070 -0.901 0.000 2.885 510 H HA 0.301 4.857 4.556 -0.000 0.000 0.260 510 H C 1.151 176.112 175.328 -0.612 0.000 0.985 510 H CA 0.700 56.184 56.048 -0.939 0.000 1.210 510 H CB 1.175 29.819 29.762 -1.864 0.000 1.466 510 H HN 0.257 nan 8.280 nan 0.000 0.493 511 G N 0.963 109.418 108.800 -0.575 0.000 2.147 511 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 511 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 511 G C -0.311 174.076 174.900 -0.854 0.000 1.005 511 G CA 0.247 44.988 45.100 -0.598 0.000 0.713 511 G HN 0.257 nan 8.290 nan 0.000 0.515 512 F N -1.160 118.345 119.950 -0.742 0.000 2.643 512 F HA 0.728 5.255 4.527 0.000 0.000 0.314 512 F C 0.575 176.260 175.800 -0.193 0.000 1.096 512 F CA -1.437 56.369 58.000 -0.323 0.000 0.953 512 F CB 1.148 40.203 39.000 0.091 0.000 1.345 512 F HN -0.098 nan 8.300 nan 0.000 0.468 513 M N 1.908 121.731 119.600 0.371 0.000 2.249 513 M HA -0.011 4.469 4.480 -0.000 0.000 0.340 513 M C -0.187 176.615 176.300 0.836 0.000 1.166 513 M CA 0.656 56.271 55.300 0.525 0.000 1.115 513 M CB 0.296 33.232 32.600 0.560 0.000 1.606 513 M HN 0.785 nan 8.290 nan 0.000 0.448 514 W N 0.372 121.948 121.300 0.459 0.000 3.892 514 W HA 0.405 5.065 4.660 -0.000 0.000 0.394 514 W C -1.219 175.463 176.519 0.272 0.000 1.293 514 W CA -0.347 57.281 57.345 0.472 0.000 1.172 514 W CB 1.594 31.362 29.460 0.512 0.000 1.623 514 W HN 0.460 nan 8.180 nan 0.000 0.633 515 T N 1.567 116.041 114.554 -0.133 0.000 2.894 515 T HA 0.486 4.836 4.350 -0.000 0.000 0.309 515 T C -1.569 173.015 174.700 -0.192 0.000 1.208 515 T CA -0.476 61.447 62.100 -0.297 0.000 1.016 515 T CB 1.832 70.344 68.868 -0.594 0.000 1.192 515 T HN 0.283 nan 8.240 nan 0.000 0.491 516 K N 2.272 122.482 120.400 -0.318 0.000 2.385 516 K HA 0.542 4.862 4.320 -0.000 0.000 0.248 516 K C -0.706 175.821 176.600 -0.120 0.000 0.955 516 K CA -1.085 54.994 56.287 -0.347 0.000 0.816 516 K CB 1.476 33.527 32.500 -0.749 0.000 1.250 516 K HN 0.764 nan 8.250 nan 0.000 0.434 517 D N 0.385 120.720 120.400 -0.109 0.000 2.440 517 D HA 0.125 4.765 4.640 -0.000 0.000 0.269 517 D C 0.768 177.016 176.300 -0.086 0.000 1.249 517 D CA -0.494 53.440 54.000 -0.110 0.000 1.055 517 D CB 0.296 41.024 40.800 -0.120 0.000 1.104 517 D HN 0.439 nan 8.370 nan 0.000 0.561 518 A N -1.130 121.583 122.820 -0.178 0.000 2.067 518 A HA 0.125 4.445 4.320 -0.000 0.000 0.219 518 A C 2.119 179.657 177.584 -0.078 0.000 1.158 518 A CA 2.049 53.973 52.037 -0.188 0.000 0.661 518 A CB -1.195 17.693 19.000 -0.186 0.000 0.801 518 A HN 0.674 nan 8.150 nan 0.000 0.452 519 K N -1.368 118.995 120.400 -0.063 0.000 2.400 519 K HA 0.375 4.694 4.320 -0.000 0.000 0.194 519 K C 1.536 178.105 176.600 -0.052 0.000 1.033 519 K CA 1.232 57.492 56.287 -0.046 0.000 1.021 519 K CB -0.995 31.479 32.500 -0.042 0.000 0.808 519 K HN 1.812 nan 8.250 nan 0.000 0.505 520 G N 0.286 109.050 108.800 -0.060 0.000 2.159 520 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.227 520 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.227 520 G C -0.224 174.500 174.900 -0.293 0.000 0.986 520 G CA -0.033 44.982 45.100 -0.141 0.000 0.651 520 G HN 0.635 nan 8.290 nan 0.000 0.523 521 N N 0.201 118.788 118.700 -0.189 0.000 2.458 521 N HA 0.432 5.172 4.740 -0.000 0.000 0.270 521 N C 0.151 175.580 175.510 -0.135 0.000 1.102 521 N CA -0.436 52.532 53.050 -0.138 0.000 0.967 521 N CB 0.385 38.858 38.487 -0.023 0.000 1.078 521 N HN 0.388 nan 8.380 nan 0.000 0.471 522 W N 1.994 123.258 121.300 -0.061 0.000 2.295 522 W HA 0.025 4.685 4.660 -0.000 0.000 0.335 522 W C 1.353 177.951 176.519 0.132 0.000 1.351 522 W CA -0.501 56.821 57.345 -0.038 0.000 1.273 522 W CB 0.322 29.685 29.460 -0.162 0.000 1.214 522 W HN 0.285 nan 8.180 nan 0.000 0.563 523 R N 3.264 123.994 120.500 0.384 0.000 2.638 523 R HA -0.099 4.240 4.340 -0.000 0.000 0.268 523 R C 0.129 176.815 176.300 0.644 0.000 1.006 523 R CA -0.069 56.236 56.100 0.341 0.000 1.088 523 R CB 0.300 30.601 30.300 0.002 0.000 0.950 523 R HN 0.441 nan 8.270 nan 0.000 0.419 524 D N 3.016 123.668 120.400 0.419 0.000 2.360 524 D HA 0.039 4.679 4.640 -0.000 0.000 0.242 524 D C 0.149 176.678 176.300 0.382 0.000 1.184 524 D CA 0.243 54.461 54.000 0.363 0.000 0.930 524 D CB 0.492 41.426 40.800 0.223 0.000 1.161 524 D HN 0.398 nan 8.370 nan 0.000 0.447 525 R N 0.719 121.357 120.500 0.230 0.000 2.992 525 R HA -0.223 4.117 4.340 -0.000 0.000 0.263 525 R C -0.506 175.791 176.300 -0.004 0.000 0.902 525 R CA 0.049 56.211 56.100 0.103 0.000 0.667 525 R CB -2.311 28.047 30.300 0.097 0.000 1.504 525 R HN 0.452 nan 8.270 nan 0.000 0.489 526 F N 1.699 121.380 119.950 -0.447 0.000 2.607 526 F HA 0.095 4.622 4.527 -0.000 0.000 0.374 526 F C 0.579 175.915 175.800 -0.775 0.000 1.104 526 F CA 0.381 57.695 58.000 -1.143 0.000 1.296 526 F CB 0.468 38.400 39.000 -1.780 0.000 1.085 526 F HN 0.305 nan 8.300 nan 0.000 0.584 527 D N 4.632 123.919 120.400 -1.855 0.000 2.470 527 D HA 0.299 4.939 4.640 -0.000 0.000 0.233 527 D C 0.163 175.727 176.300 -1.228 0.000 1.372 527 D CA 0.022 53.358 54.000 -1.105 0.000 0.994 527 D CB 1.396 41.946 40.800 -0.418 0.000 1.377 527 D HN 0.649 nan 8.370 nan 0.000 0.586 528 A N 2.399 124.470 122.820 -1.248 0.000 2.067 528 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 528 A C 1.656 178.957 177.584 -0.471 0.000 1.158 528 A CA 1.941 53.415 52.037 -0.938 0.000 0.661 528 A CB -0.332 18.000 19.000 -1.113 0.000 0.801 528 A HN 0.586 nan 8.150 nan 0.000 0.452 529 T N -2.759 111.582 114.554 -0.354 0.000 3.069 529 T HA 0.195 4.545 4.350 -0.000 0.000 0.252 529 T C 0.388 175.111 174.700 0.037 0.000 1.053 529 T CA 0.165 62.158 62.100 -0.178 0.000 0.964 529 T CB -0.204 68.534 68.868 -0.216 0.000 1.005 529 T HN 0.501 nan 8.240 nan 0.000 0.532 530 E N 1.107 121.308 120.200 0.003 0.000 2.217 530 E HA 0.197 4.547 4.350 -0.000 0.000 0.279 530 E C -0.851 175.910 176.600 0.268 0.000 1.068 530 E CA -0.859 55.638 56.400 0.160 0.000 0.882 530 E CB 0.317 30.095 29.700 0.130 0.000 1.039 530 E HN 0.412 nan 8.360 nan 0.000 0.418 531 W N 3.525 124.863 121.300 0.062 0.000 2.129 531 W HA 0.435 5.095 4.660 0.000 0.000 0.349 531 W C 1.108 177.688 176.519 0.103 0.000 1.279 531 W CA 1.129 58.539 57.345 0.108 0.000 1.306 531 W CB 0.477 29.983 29.460 0.077 0.000 1.140 531 W HN 0.905 nan 8.180 nan 0.000 0.613 532 G N 0.138 109.124 108.800 0.309 0.000 2.632 532 G HA2 0.311 4.271 3.960 -0.000 0.000 0.224 532 G HA3 0.311 4.271 3.960 -0.000 0.000 0.224 532 G C 0.643 175.516 174.900 -0.046 0.000 1.341 532 G CA 0.225 45.410 45.100 0.141 0.000 0.880 532 G HN 1.875 nan 8.290 nan 0.000 0.566 533 G N -0.474 108.227 108.800 -0.166 0.000 2.620 533 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.315 533 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.315 533 G C -0.160 174.140 174.900 -1.000 0.000 1.179 533 G CA 1.958 46.717 45.100 -0.569 0.000 0.971 533 G HN 1.582 nan 8.290 nan 0.000 0.544 534 P HA 0.241 nan 4.420 nan 0.000 0.241 534 P C 0.151 176.780 177.300 -1.118 0.000 1.191 534 P CA 0.762 63.092 63.100 -1.283 0.000 0.771 534 P CB -0.023 30.827 31.700 -1.417 0.000 0.929 535 F N -0.315 119.348 119.950 -0.479 0.000 2.523 535 F HA 0.544 5.071 4.527 -0.000 0.000 0.329 535 F C 0.964 176.563 175.800 -0.335 0.000 1.061 535 F CA -0.804 56.901 58.000 -0.493 0.000 0.967 535 F CB 1.306 40.117 39.000 -0.315 0.000 1.218 535 F HN -0.394 nan 8.300 nan 0.000 0.480 536 T N 0.289 114.784 114.554 -0.099 0.000 2.841 536 T HA 0.338 4.688 4.350 -0.000 0.000 0.285 536 T C -0.566 174.325 174.700 0.318 0.000 0.991 536 T CA -0.456 61.670 62.100 0.044 0.000 0.966 536 T CB 0.717 69.519 68.868 -0.110 0.000 0.962 536 T HN 0.654 nan 8.240 nan 0.000 0.438 537 E N 1.494 121.817 120.200 0.205 0.000 2.360 537 E HA -0.158 4.192 4.350 -0.000 0.000 0.238 537 E C 0.295 176.830 176.600 -0.109 0.000 1.186 537 E CA 1.343 57.864 56.400 0.201 0.000 0.719 537 E CB -1.724 28.113 29.700 0.228 0.000 1.236 537 E HN 1.443 nan 8.360 nan 0.000 0.386 538 G N -1.288 107.163 108.800 -0.582 0.000 2.337 538 G HA2 0.361 4.321 3.960 -0.000 0.000 0.298 538 G HA3 0.361 4.321 3.960 -0.000 0.000 0.298 538 G C -0.540 173.941 174.900 -0.699 0.000 1.335 538 G CA -0.053 44.373 45.100 -1.125 0.000 0.875 538 G HN 0.553 nan 8.290 nan 0.000 0.579 539 S N -1.484 113.981 115.700 -0.393 0.000 2.823 539 S HA 0.752 5.222 4.470 -0.000 0.000 0.316 539 S C 1.521 175.699 174.600 -0.703 0.000 1.116 539 S CA 0.711 58.586 58.200 -0.542 0.000 0.911 539 S CB 1.331 64.295 63.200 -0.394 0.000 1.276 539 S HN 1.640 nan 8.310 nan 0.000 0.565 540 S N -0.402 114.723 115.700 -0.959 0.000 2.382 540 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 540 S C 1.411 175.982 174.600 -0.047 0.000 1.027 540 S CA 1.322 59.192 58.200 -0.551 0.000 0.991 540 S CB -0.797 62.370 63.200 -0.056 0.000 0.823 540 S HN 0.698 nan 8.310 nan 0.000 0.469 541 W N 1.883 122.987 121.300 -0.328 0.000 2.308 541 W HA -0.225 4.435 4.660 0.000 0.000 0.301 541 W C 1.797 178.256 176.519 -0.099 0.000 1.220 541 W CA 2.045 59.278 57.345 -0.187 0.000 1.240 541 W CB -0.486 28.721 29.460 -0.423 0.000 1.142 541 W HN 0.595 nan 8.180 nan 0.000 0.521 542 H N -2.642 116.508 119.070 0.135 0.000 2.388 542 H HA -0.061 4.495 4.556 -0.000 0.000 0.304 542 H C 1.904 177.241 175.328 0.015 0.000 1.049 542 H CA 1.341 57.405 56.048 0.027 0.000 1.371 542 H CB -1.306 28.328 29.762 -0.213 0.000 1.436 542 H HN 0.193 nan 8.280 nan 0.000 0.544 543 W N 1.832 123.208 121.300 0.126 0.000 2.595 543 W HA -0.066 4.594 4.660 -0.000 0.000 0.257 543 W C 2.207 178.817 176.519 0.151 0.000 1.267 543 W CA 0.951 58.401 57.345 0.174 0.000 1.300 543 W CB -0.191 29.396 29.460 0.211 0.000 1.120 543 W HN 0.041 nan 8.180 nan 0.000 0.618 544 T N -0.924 113.751 114.554 0.202 0.000 2.897 544 T HA -0.229 4.121 4.350 -0.000 0.000 0.271 544 T C 0.771 175.316 174.700 -0.258 0.000 1.084 544 T CA 1.283 63.361 62.100 -0.037 0.000 1.123 544 T CB -0.452 68.279 68.868 -0.229 0.000 0.865 544 T HN 0.273 nan 8.240 nan 0.000 0.496 545 W N 0.915 122.245 121.300 0.049 0.000 3.256 545 W HA 0.332 4.992 4.660 -0.000 0.000 0.269 545 W C 1.545 178.141 176.519 0.127 0.000 1.310 545 W CA -0.514 56.840 57.345 0.014 0.000 1.673 545 W CB 0.123 29.523 29.460 -0.100 0.000 1.115 545 W HN -0.014 nan 8.180 nan 0.000 0.686 546 S N 1.516 117.373 115.700 0.261 0.000 4.069 546 S HA 0.261 4.731 4.470 -0.000 0.000 0.192 546 S C -0.095 174.348 174.600 -0.260 0.000 1.441 546 S CA -0.025 58.245 58.200 0.117 0.000 0.994 546 S CB -0.677 62.720 63.200 0.327 0.000 1.456 546 S HN -0.058 nan 8.310 nan 0.000 0.458 547 V N 5.373 125.029 119.914 -0.429 0.000 2.570 547 V HA 0.222 4.342 4.120 -0.000 0.000 0.271 547 V C 0.082 175.771 176.094 -0.675 0.000 1.005 547 V CA -0.608 61.279 62.300 -0.688 0.000 1.111 547 V CB -0.326 30.992 31.823 -0.842 0.000 1.259 547 V HN 0.734 nan 8.190 nan 0.000 0.571 548 F N -0.461 119.294 119.950 -0.325 0.000 2.710 548 F HA 0.092 4.619 4.527 -0.000 0.000 0.298 548 F C 2.087 177.721 175.800 -0.276 0.000 1.137 548 F CA 0.534 58.296 58.000 -0.397 0.000 1.444 548 F CB -0.728 37.931 39.000 -0.569 0.000 1.111 548 F HN 0.566 nan 8.300 nan 0.000 0.580 549 H N -1.337 117.528 119.070 -0.341 0.000 2.551 549 H HA 0.147 4.703 4.556 -0.000 0.000 0.266 549 H C -0.400 174.743 175.328 -0.309 0.000 0.977 549 H CA 0.784 56.527 56.048 -0.509 0.000 1.163 549 H CB -0.158 28.935 29.762 -1.116 0.000 1.381 549 H HN 0.296 nan 8.280 nan 0.000 0.581 550 D N 0.233 120.238 120.400 -0.658 0.000 3.220 550 D HA 0.208 4.848 4.640 -0.000 0.000 0.309 550 D C -2.097 173.971 176.300 -0.386 0.000 1.276 550 D CA -1.781 51.945 54.000 -0.457 0.000 0.736 550 D CB 0.906 41.457 40.800 -0.415 0.000 1.304 550 D HN -0.004 nan 8.370 nan 0.000 0.582 551 P HA -0.155 nan 4.420 nan 0.000 0.216 551 P C 1.297 178.501 177.300 -0.159 0.000 1.153 551 P CA 1.050 63.978 63.100 -0.285 0.000 0.858 551 P CB 0.527 31.949 31.700 -0.464 0.000 0.789 552 E N -0.137 120.012 120.200 -0.084 0.000 2.058 552 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 552 E C 2.190 178.782 176.600 -0.013 0.000 0.997 552 E CA 2.034 58.436 56.400 0.004 0.000 0.801 552 E CB -1.431 28.294 29.700 0.041 0.000 0.746 552 E HN 0.132 nan 8.360 nan 0.000 0.450 553 G N 0.519 109.303 108.800 -0.028 0.000 2.422 553 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 553 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 553 G C 1.522 176.435 174.900 0.021 0.000 1.146 553 G CA 0.949 46.083 45.100 0.057 0.000 0.769 553 G HN 0.357 nan 8.290 nan 0.000 0.547 554 L N 1.865 123.019 121.223 -0.115 0.000 2.056 554 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 554 L C 3.122 179.881 176.870 -0.185 0.000 1.078 554 L CA 2.460 57.188 54.840 -0.187 0.000 0.749 554 L CB -0.639 41.254 42.059 -0.276 0.000 0.901 554 L HN 0.338 nan 8.230 nan 0.000 0.433 555 S N -1.651 113.986 115.700 -0.105 0.000 2.399 555 S HA -0.196 4.274 4.470 -0.000 0.000 0.231 555 S C 1.856 176.411 174.600 -0.074 0.000 1.022 555 S CA 1.197 59.365 58.200 -0.054 0.000 0.983 555 S CB -0.738 62.511 63.200 0.083 0.000 0.803 555 S HN 0.511 nan 8.310 nan 0.000 0.480 556 E N 1.501 121.658 120.200 -0.071 0.000 2.058 556 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 556 E C 2.120 178.627 176.600 -0.156 0.000 0.997 556 E CA 1.311 57.660 56.400 -0.085 0.000 0.801 556 E CB -1.000 28.667 29.700 -0.055 0.000 0.746 556 E HN 0.724 nan 8.360 nan 0.000 0.450 557 L N -0.514 120.550 121.223 -0.265 0.000 2.079 557 L HA -0.142 4.197 4.340 -0.000 0.000 0.210 557 L C 2.707 179.292 176.870 -0.474 0.000 1.081 557 L CA 1.445 55.962 54.840 -0.539 0.000 0.752 557 L CB -0.409 41.025 42.059 -1.042 0.000 0.896 557 L HN 0.295 nan 8.230 nan 0.000 0.433 558 M N -1.252 118.148 119.600 -0.334 0.000 2.562 558 M HA 0.015 4.495 4.480 -0.000 0.000 0.257 558 M C 1.375 177.619 176.300 -0.093 0.000 1.099 558 M CA 1.057 56.252 55.300 -0.175 0.000 1.099 558 M CB 0.132 32.619 32.600 -0.188 0.000 1.427 558 M HN 0.495 nan 8.290 nan 0.000 0.489 559 G N 0.093 108.840 108.800 -0.088 0.000 2.184 559 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.206 559 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.206 559 G C 0.322 175.198 174.900 -0.041 0.000 0.995 559 G CA -0.318 44.750 45.100 -0.053 0.000 0.651 559 G HN 0.887 nan 8.290 nan 0.000 0.511 560 G N -1.895 106.885 108.800 -0.033 0.000 2.347 560 G HA2 0.227 4.187 3.960 -0.000 0.000 0.341 560 G HA3 0.227 4.187 3.960 -0.000 0.000 0.341 560 G C 0.113 175.066 174.900 0.087 0.000 1.287 560 G CA 0.382 45.474 45.100 -0.013 0.000 0.984 560 G HN 0.596 nan 8.290 nan 0.000 0.526 561 H N -0.172 118.886 119.070 -0.020 0.000 2.353 561 H HA -0.085 4.471 4.556 -0.000 0.000 0.300 561 H C 2.394 177.722 175.328 -0.000 0.000 1.090 561 H CA 1.592 57.627 56.048 -0.021 0.000 1.327 561 H CB 0.369 30.123 29.762 -0.012 0.000 1.383 561 H HN 0.622 nan 8.280 nan 0.000 0.508 562 E N 0.814 121.100 120.200 0.144 0.000 2.038 562 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 562 E C -0.647 175.994 176.600 0.067 0.000 1.000 562 E CA 1.124 57.582 56.400 0.097 0.000 0.803 562 E CB -0.435 29.310 29.700 0.074 0.000 0.750 562 E HN 0.359 nan 8.360 nan 0.000 0.448 563 P HA -0.158 nan 4.420 nan 0.000 0.216 563 P C 1.607 178.914 177.300 0.011 0.000 1.153 563 P CA 1.400 64.507 63.100 0.011 0.000 0.848 563 P CB -0.196 31.492 31.700 -0.019 0.000 0.787 564 M N -1.070 118.542 119.600 0.019 0.000 2.117 564 M HA -0.143 4.337 4.480 -0.000 0.000 0.262 564 M C 1.911 178.247 176.300 0.061 0.000 1.065 564 M CA 1.876 57.203 55.300 0.044 0.000 1.114 564 M CB -0.625 31.995 32.600 0.033 0.000 1.361 564 M HN -0.196 nan 8.290 nan 0.000 0.408 565 I N 0.723 121.320 120.570 0.044 0.000 2.194 565 I HA -0.320 3.850 4.170 -0.000 0.000 0.246 565 I C 2.651 178.842 176.117 0.123 0.000 1.093 565 I CA 1.476 62.827 61.300 0.086 0.000 1.355 565 I CB -0.699 37.384 38.000 0.139 0.000 1.046 565 I HN 0.439 nan 8.210 nan 0.000 0.413 566 A N 0.751 123.628 122.820 0.095 0.000 1.902 566 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 566 A C 2.374 179.999 177.584 0.067 0.000 1.181 566 A CA 1.494 53.585 52.037 0.089 0.000 0.623 566 A CB -0.529 18.510 19.000 0.065 0.000 0.818 566 A HN 0.344 nan 8.150 nan 0.000 0.443 567 R N -0.616 119.915 120.500 0.053 0.000 2.115 567 R HA 0.062 4.402 4.340 -0.000 0.000 0.226 567 R C 1.972 178.264 176.300 -0.013 0.000 1.100 567 R CA 1.054 57.181 56.100 0.044 0.000 0.980 567 R CB -0.429 29.891 30.300 0.033 0.000 0.875 567 R HN 0.487 nan 8.270 nan 0.000 0.445 568 L N 0.706 121.873 121.223 -0.094 0.000 2.005 568 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 568 L C 1.728 178.486 176.870 -0.186 0.000 1.072 568 L CA 1.219 55.821 54.840 -0.398 0.000 0.744 568 L CB -0.455 41.245 42.059 -0.597 0.000 0.895 568 L HN 0.109 nan 8.230 nan 0.000 0.433 569 D N -0.178 120.300 120.400 0.131 0.000 2.133 569 D HA -0.201 4.439 4.640 -0.000 0.000 0.195 569 D C 2.329 178.670 176.300 0.069 0.000 0.997 569 D CA 1.805 55.938 54.000 0.222 0.000 0.840 569 D CB -0.265 40.677 40.800 0.237 0.000 0.947 569 D HN 0.346 nan 8.370 nan 0.000 0.452 570 S N -0.586 115.129 115.700 0.025 0.000 2.507 570 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 570 S C 1.860 176.495 174.600 0.058 0.000 0.988 570 S CA 0.532 58.782 58.200 0.083 0.000 0.944 570 S CB -0.235 63.057 63.200 0.154 0.000 0.762 570 S HN 0.209 nan 8.310 nan 0.000 0.526 571 M N -0.549 118.899 119.600 -0.252 0.000 2.394 571 M HA 0.241 4.721 4.480 -0.000 0.000 0.266 571 M C 0.462 176.495 176.300 -0.446 0.000 1.098 571 M CA 0.738 55.793 55.300 -0.408 0.000 1.149 571 M CB -0.050 31.991 32.600 -0.931 0.000 1.369 571 M HN 0.339 nan 8.290 nan 0.000 0.450 572 F N -1.046 118.872 119.950 -0.053 0.000 2.812 572 F HA 0.655 5.182 4.527 -0.000 0.000 0.169 572 F C 0.709 176.548 175.800 0.065 0.000 1.243 572 F CA -0.734 57.218 58.000 -0.080 0.000 0.926 572 F CB -0.520 38.185 39.000 -0.491 0.000 2.170 572 F HN -0.172 nan 8.300 nan 0.000 0.587 573 V N -1.883 118.300 119.914 0.449 0.000 2.345 573 V HA 0.292 4.412 4.120 -0.000 0.000 0.332 573 V C -0.577 175.760 176.094 0.406 0.000 1.897 573 V CA -0.424 62.098 62.300 0.371 0.000 0.833 573 V CB 0.082 32.042 31.823 0.229 0.000 1.133 573 V HN 0.983 nan 8.190 nan 0.000 0.233 574 A N 0.480 123.473 122.820 0.289 0.000 1.988 574 A HA 0.976 5.296 4.320 -0.000 0.000 0.201 574 A C -0.311 177.480 177.584 0.344 0.000 1.410 574 A CA 1.732 53.979 52.037 0.350 0.000 0.832 574 A CB 0.211 19.352 19.000 0.234 0.000 0.981 574 A HN 2.630 nan 8.150 nan 0.000 0.492 575 P HA -0.038 nan 4.420 nan 0.000 0.299 575 P C -1.627 175.687 177.300 0.024 0.000 1.970 575 P CA 0.216 63.339 63.100 0.039 0.000 1.766 575 P CB -0.483 31.148 31.700 -0.116 0.000 0.236 576 N N 0.433 119.135 118.700 0.002 0.000 2.419 576 N HA 0.542 5.282 4.740 -0.000 0.000 0.264 576 N C 1.221 176.734 175.510 0.005 0.000 1.031 576 N CA 1.089 54.154 53.050 0.026 0.000 0.951 576 N CB 0.597 39.099 38.487 0.026 0.000 1.101 576 N HN 0.640 nan 8.380 nan 0.000 0.488 577 T N -0.431 114.146 114.554 0.039 0.000 3.132 577 T HA 0.141 4.491 4.350 -0.000 0.000 0.274 577 T C 0.980 175.702 174.700 0.037 0.000 1.011 577 T CA -0.261 61.858 62.100 0.032 0.000 0.899 577 T CB -0.749 68.156 68.868 0.061 0.000 1.089 577 T HN 0.334 nan 8.240 nan 0.000 0.543 578 Y N 1.534 121.856 120.300 0.037 0.000 2.831 578 Y HA -0.351 4.199 4.550 -0.000 0.000 0.469 578 Y C 1.817 177.739 175.900 0.036 0.000 1.152 578 Y CA 0.743 58.863 58.100 0.032 0.000 2.680 578 Y CB -1.787 36.687 38.460 0.022 0.000 1.183 578 Y HN 0.558 nan 8.280 nan 0.000 0.623 579 N N -0.086 118.632 118.700 0.030 0.000 2.236 579 N HA 0.149 4.889 4.740 -0.000 0.000 0.196 579 N C 1.213 176.743 175.510 0.034 0.000 1.114 579 N CA 0.954 54.023 53.050 0.031 0.000 0.859 579 N CB -0.553 37.949 38.487 0.024 0.000 0.982 579 N HN 0.738 nan 8.380 nan 0.000 0.493 580 Y N 0.609 120.929 120.300 0.034 0.000 2.293 580 Y HA 0.105 4.655 4.550 -0.000 0.000 0.291 580 Y C 2.231 178.159 175.900 0.046 0.000 1.137 580 Y CA 0.798 58.918 58.100 0.034 0.000 1.202 580 Y CB -1.149 37.327 38.460 0.026 0.000 0.990 580 Y HN 0.152 nan 8.280 nan 0.000 0.537 581 G N 0.666 109.503 108.800 0.060 0.000 3.297 581 G HA2 0.193 4.153 3.960 -0.000 0.000 0.225 581 G HA3 0.193 4.153 3.960 -0.000 0.000 0.225 581 G C 1.248 176.192 174.900 0.073 0.000 1.171 581 G CA 0.829 45.978 45.100 0.082 0.000 1.652 581 G HN 0.843 nan 8.290 nan 0.000 0.564 582 T N -1.917 112.670 114.554 0.056 0.000 2.746 582 T HA 0.187 4.537 4.350 -0.000 0.000 0.267 582 T C 1.659 176.386 174.700 0.045 0.000 1.039 582 T CA 3.452 65.579 62.100 0.045 0.000 1.142 582 T CB -0.415 68.473 68.868 0.034 0.000 0.866 582 T HN 1.655 nan 8.240 nan 0.000 0.444 583 Y N -1.958 118.373 120.300 0.052 0.000 2.705 583 Y HA 0.155 4.705 4.550 -0.000 0.000 0.455 583 Y C 1.713 177.663 175.900 0.084 0.000 1.514 583 Y CA 0.449 58.584 58.100 0.058 0.000 1.929 583 Y CB -1.537 36.953 38.460 0.050 0.000 1.038 583 Y HN 0.939 nan 8.280 nan 0.000 0.460 584 G N -0.478 108.390 108.800 0.112 0.000 2.531 584 G HA2 0.534 4.494 3.960 -0.000 0.000 0.253 584 G HA3 0.534 4.494 3.960 -0.000 0.000 0.253 584 G C 0.534 175.582 174.900 0.245 0.000 1.439 584 G CA 0.409 45.619 45.100 0.184 0.000 1.056 584 G HN 1.558 nan 8.290 nan 0.000 0.555 585 F N 0.067 120.040 119.950 0.039 0.000 2.695 585 F HA 0.199 4.726 4.527 -0.000 0.000 0.303 585 F C 1.828 177.680 175.800 0.087 0.000 1.091 585 F CA -0.331 57.704 58.000 0.058 0.000 1.300 585 F CB -1.189 37.832 39.000 0.035 0.000 1.071 585 F HN 0.150 nan 8.300 nan 0.000 0.578 586 V N -0.946 119.220 119.914 0.420 0.000 2.867 586 V HA -0.196 3.924 4.120 -0.000 0.000 0.260 586 V C 2.461 178.548 176.094 -0.012 0.000 1.099 586 V CA 1.495 63.856 62.300 0.102 0.000 1.122 586 V CB -1.801 30.128 31.823 0.176 0.000 0.708 586 V HN 0.391 nan 8.190 nan 0.000 0.490 587 I N 0.513 121.106 120.570 0.037 0.000 2.264 587 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 587 I C 2.611 178.705 176.117 -0.039 0.000 1.111 587 I CA 2.469 63.777 61.300 0.013 0.000 1.382 587 I CB -1.369 36.660 38.000 0.048 0.000 1.060 587 I HN 0.804 nan 8.210 nan 0.000 0.418 588 H N 0.453 119.416 119.070 -0.178 0.000 2.363 588 H HA -0.111 4.445 4.556 -0.000 0.000 0.301 588 H C 2.416 177.610 175.328 -0.222 0.000 1.074 588 H CA 2.009 57.934 56.048 -0.205 0.000 1.354 588 H CB -0.117 29.484 29.762 -0.267 0.000 1.397 588 H HN 0.565 nan 8.280 nan 0.000 0.516 589 E N 0.202 120.279 120.200 -0.205 0.000 2.110 589 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 589 E C 2.471 179.006 176.600 -0.108 0.000 0.988 589 E CA 0.898 57.211 56.400 -0.145 0.000 0.804 589 E CB -0.339 29.266 29.700 -0.158 0.000 0.745 589 E HN 0.443 nan 8.360 nan 0.000 0.458 590 I N 0.891 121.403 120.570 -0.096 0.000 2.226 590 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 590 I C 2.543 178.605 176.117 -0.092 0.000 1.100 590 I CA 1.486 62.745 61.300 -0.067 0.000 1.374 590 I CB -0.730 37.247 38.000 -0.040 0.000 1.057 590 I HN 0.251 nan 8.210 nan 0.000 0.413 591 A N -0.570 122.163 122.820 -0.145 0.000 1.972 591 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 591 A C 2.364 179.842 177.584 -0.177 0.000 1.169 591 A CA 1.915 53.850 52.037 -0.171 0.000 0.635 591 A CB -0.693 18.162 19.000 -0.243 0.000 0.810 591 A HN 0.525 nan 8.150 nan 0.000 0.446 592 E N -0.750 119.323 120.200 -0.211 0.000 2.106 592 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 592 E C 2.003 178.573 176.600 -0.050 0.000 0.984 592 E CA 1.194 57.520 56.400 -0.123 0.000 0.806 592 E CB -0.197 29.457 29.700 -0.077 0.000 0.750 592 E HN 0.678 nan 8.360 nan 0.000 0.458 593 M N 0.232 119.803 119.600 -0.049 0.000 2.132 593 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 593 M C 2.014 178.301 176.300 -0.021 0.000 1.065 593 M CA 1.241 56.527 55.300 -0.023 0.000 1.122 593 M CB 0.062 32.650 32.600 -0.021 0.000 1.365 593 M HN 0.077 nan 8.290 nan 0.000 0.411 594 V N 1.203 121.097 119.914 -0.034 0.000 2.287 594 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 594 V C 2.760 178.840 176.094 -0.024 0.000 1.053 594 V CA 2.050 64.332 62.300 -0.030 0.000 1.027 594 V CB -1.502 30.298 31.823 -0.038 0.000 0.646 594 V HN 0.677 nan 8.190 nan 0.000 0.447 595 A N -0.468 122.336 122.820 -0.027 0.000 1.940 595 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 595 A C 2.221 179.808 177.584 0.006 0.000 1.176 595 A CA 1.915 53.945 52.037 -0.012 0.000 0.631 595 A CB -0.552 18.445 19.000 -0.005 0.000 0.814 595 A HN 0.512 nan 8.150 nan 0.000 0.446 596 L N -0.269 120.962 121.223 0.012 0.000 2.046 596 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 596 L C 2.271 179.153 176.870 0.019 0.000 1.077 596 L CA 1.239 56.095 54.840 0.026 0.000 0.747 596 L CB -0.590 41.484 42.059 0.026 0.000 0.896 596 L HN 0.364 nan 8.230 nan 0.000 0.432 597 N N -0.669 118.034 118.700 0.006 0.000 2.223 597 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 597 N C 1.818 177.322 175.510 -0.010 0.000 1.016 597 N CA 1.367 54.417 53.050 -0.001 0.000 0.863 597 N CB -0.237 38.246 38.487 -0.006 0.000 0.983 597 N HN 0.191 nan 8.380 nan 0.000 0.429 598 M N -0.895 118.696 119.600 -0.016 0.000 2.562 598 M HA 0.155 4.635 4.480 -0.000 0.000 0.257 598 M C 1.493 177.775 176.300 -0.030 0.000 1.099 598 M CA 0.657 55.937 55.300 -0.033 0.000 1.099 598 M CB -1.028 31.547 32.600 -0.042 0.000 1.427 598 M HN 0.540 nan 8.290 nan 0.000 0.489 599 G N -1.504 107.297 108.800 0.002 0.000 2.141 599 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.242 599 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.242 599 G C 0.757 175.687 174.900 0.049 0.000 0.982 599 G CA 1.277 46.400 45.100 0.038 0.000 0.662 599 G HN 0.729 nan 8.290 nan 0.000 0.527 600 Q N -1.587 118.228 119.800 0.025 0.000 2.135 600 Q HA 0.275 4.615 4.340 -0.000 0.000 0.204 600 Q C 2.025 178.102 176.000 0.128 0.000 0.981 600 Q CA 2.663 58.496 55.803 0.050 0.000 0.856 600 Q CB -0.781 27.985 28.738 0.046 0.000 0.902 600 Q HN 2.318 nan 8.270 nan 0.000 0.425 601 Y N -0.988 119.376 120.300 0.105 0.000 2.587 601 Y HA 0.728 5.278 4.550 -0.000 0.000 0.328 601 Y C 0.799 176.787 175.900 0.147 0.000 0.980 601 Y CA -1.458 56.706 58.100 0.107 0.000 1.272 601 Y CB 0.329 38.889 38.460 0.165 0.000 1.094 601 Y HN 0.628 nan 8.280 nan 0.000 0.503 602 A N 2.695 125.625 122.820 0.182 0.000 3.051 602 A HA 0.329 4.649 4.320 -0.000 0.000 0.257 602 A C 0.271 177.908 177.584 0.088 0.000 1.785 602 A CA -0.214 51.934 52.037 0.186 0.000 1.420 602 A CB -1.653 17.549 19.000 0.338 0.000 1.063 602 A HN 1.052 nan 8.150 nan 0.000 0.630 603 H N 0.209 119.263 119.070 -0.028 0.000 3.070 603 H HA 0.330 4.886 4.556 -0.000 0.000 0.313 603 H C 1.482 176.717 175.328 -0.154 0.000 0.997 603 H CA 1.592 57.556 56.048 -0.140 0.000 1.438 603 H CB 0.358 30.016 29.762 -0.174 0.000 1.455 603 H HN 0.818 nan 8.280 nan 0.000 0.575 604 G N 4.013 112.388 108.800 -0.710 0.000 2.279 604 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.223 604 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.223 604 G C 0.533 175.270 174.900 -0.271 0.000 1.015 604 G CA -0.001 44.807 45.100 -0.487 0.000 0.621 604 G HN 0.828 nan 8.290 nan 0.000 0.506 605 N N 1.145 119.719 118.700 -0.209 0.000 2.440 605 N HA 0.165 4.905 4.740 -0.000 0.000 0.265 605 N C 1.519 176.886 175.510 -0.239 0.000 1.239 605 N CA 0.532 53.466 53.050 -0.194 0.000 0.909 605 N CB 0.831 39.167 38.487 -0.251 0.000 1.066 605 N HN 0.413 nan 8.380 nan 0.000 0.474 606 Q N 4.131 123.788 119.800 -0.239 0.000 2.030 606 Q HA -0.086 4.254 4.340 -0.000 0.000 0.204 606 Q C -0.852 174.962 176.000 -0.310 0.000 0.986 606 Q CA 1.911 57.502 55.803 -0.353 0.000 0.843 606 Q CB -0.806 27.535 28.738 -0.661 0.000 0.904 606 Q HN 0.665 nan 8.270 nan 0.000 0.420 607 P HA -0.091 nan 4.420 nan 0.000 0.228 607 P C 0.526 177.822 177.300 -0.007 0.000 1.151 607 P CA 1.215 64.127 63.100 -0.313 0.000 0.770 607 P CB 0.066 31.189 31.700 -0.961 0.000 0.786 608 V N -5.338 114.497 119.914 -0.132 0.000 3.380 608 V HA 0.234 4.353 4.120 -0.000 0.000 0.307 608 V C 1.974 177.912 176.094 -0.259 0.000 1.434 608 V CA -0.008 62.147 62.300 -0.242 0.000 1.075 608 V CB -0.576 31.133 31.823 -0.189 0.000 0.954 608 V HN -0.116 nan 8.190 nan 0.000 0.444 609 Q N 1.390 121.102 119.800 -0.147 0.000 2.181 609 Q HA -0.179 4.161 4.340 -0.000 0.000 0.205 609 Q C 2.072 178.114 176.000 0.071 0.000 0.980 609 Q CA 2.121 57.855 55.803 -0.115 0.000 0.862 609 Q CB -0.256 28.429 28.738 -0.089 0.000 0.905 609 Q HN 1.031 nan 8.270 nan 0.000 0.429 610 H N -1.858 117.239 119.070 0.046 0.000 2.548 610 H HA 0.290 4.846 4.556 -0.000 0.000 0.265 610 H C 1.614 177.019 175.328 0.129 0.000 0.969 610 H CA 0.708 56.822 56.048 0.109 0.000 1.155 610 H CB -0.007 29.811 29.762 0.095 0.000 1.394 610 H HN 0.163 nan 8.280 nan 0.000 0.570 611 A N 2.063 124.569 122.820 -0.524 0.000 1.933 611 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 611 A C 2.510 179.952 177.584 -0.237 0.000 1.175 611 A CA 1.048 52.739 52.037 -0.577 0.000 0.628 611 A CB -0.767 17.761 19.000 -0.787 0.000 0.814 611 A HN 0.376 nan 8.150 nan 0.000 0.444 612 I N -1.859 118.680 120.570 -0.053 0.000 2.454 612 I HA -0.260 3.910 4.170 -0.000 0.000 0.254 612 I C 1.795 177.844 176.117 -0.113 0.000 1.156 612 I CA 1.182 62.405 61.300 -0.128 0.000 1.433 612 I CB -0.305 37.551 38.000 -0.240 0.000 1.082 612 I HN 0.407 nan 8.210 nan 0.000 0.432 613 Y N 0.249 120.569 120.300 0.033 0.000 2.583 613 Y HA 0.003 4.553 4.550 -0.000 0.000 0.293 613 Y C 2.134 178.157 175.900 0.206 0.000 1.157 613 Y CA 0.410 58.597 58.100 0.144 0.000 1.315 613 Y CB -0.239 38.338 38.460 0.195 0.000 1.021 613 Y HN 0.110 nan 8.280 nan 0.000 0.536 614 L N -1.579 119.713 121.223 0.115 0.000 2.275 614 L HA -0.225 4.115 4.340 -0.000 0.000 0.215 614 L C 1.552 178.439 176.870 0.028 0.000 1.119 614 L CA 1.041 55.882 54.840 0.002 0.000 0.790 614 L CB -0.587 41.341 42.059 -0.218 0.000 0.919 614 L HN 0.272 nan 8.230 nan 0.000 0.443 615 Y N -0.025 120.279 120.300 0.008 0.000 2.333 615 Y HA -0.252 4.298 4.550 -0.000 0.000 0.290 615 Y C 2.253 178.093 175.900 -0.101 0.000 1.144 615 Y CA 1.012 59.051 58.100 -0.102 0.000 1.228 615 Y CB -0.498 37.866 38.460 -0.160 0.000 0.985 615 Y HN 0.212 nan 8.280 nan 0.000 0.542 616 D N -1.317 119.205 120.400 0.202 0.000 2.263 616 D HA -0.178 4.462 4.640 -0.000 0.000 0.208 616 D C 1.284 177.523 176.300 -0.102 0.000 0.971 616 D CA 1.356 55.420 54.000 0.107 0.000 0.867 616 D CB -0.300 40.595 40.800 0.159 0.000 0.929 616 D HN 0.463 nan 8.370 nan 0.000 0.492 617 Y N -0.227 119.928 120.300 -0.242 0.000 2.478 617 Y HA 0.186 4.736 4.550 -0.000 0.000 0.261 617 Y C 1.815 177.007 175.900 -1.180 0.000 1.127 617 Y CA 0.012 57.825 58.100 -0.478 0.000 1.288 617 Y CB 0.431 38.739 38.460 -0.254 0.000 1.084 617 Y HN -0.013 nan 8.280 nan 0.000 0.530 618 I N -4.594 115.434 120.570 -0.903 0.000 3.994 618 I HA 0.614 4.784 4.170 -0.000 0.000 0.323 618 I C 0.984 176.717 176.117 -0.640 0.000 1.501 618 I CA 0.337 60.929 61.300 -1.181 0.000 1.112 618 I CB 0.700 38.211 38.000 -0.815 0.000 1.254 618 I HN 0.087 nan 8.210 nan 0.000 0.495 619 G N 1.893 110.417 108.800 -0.460 0.000 2.163 619 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.213 619 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.213 619 G C 0.011 174.857 174.900 -0.089 0.000 0.991 619 G CA -0.065 45.082 45.100 0.078 0.000 0.653 619 G HN 0.579 nan 8.290 nan 0.000 0.518 620 Q N -0.124 119.466 119.800 -0.351 0.000 3.230 620 Q HA 0.241 4.581 4.340 -0.000 0.000 0.303 620 Q C -2.005 173.514 176.000 -0.802 0.000 0.884 620 Q CA -1.617 53.522 55.803 -1.107 0.000 0.859 620 Q CB 2.173 30.189 28.738 -1.204 0.000 1.432 620 Q HN 0.275 nan 8.270 nan 0.000 0.403 621 P HA -0.169 nan 4.420 nan 0.000 0.222 621 P C 0.809 178.115 177.300 0.010 0.000 1.147 621 P CA 0.912 63.991 63.100 -0.035 0.000 0.790 621 P CB -0.121 31.663 31.700 0.139 0.000 0.780 622 W N 1.140 122.476 121.300 0.061 0.000 2.392 622 W HA 0.056 4.716 4.660 -0.000 0.000 0.279 622 W C 1.773 178.337 176.519 0.075 0.000 1.225 622 W CA 0.788 58.207 57.345 0.124 0.000 1.233 622 W CB -1.438 28.038 29.460 0.028 0.000 1.122 622 W HN -0.156 nan 8.180 nan 0.000 0.561 623 K N 0.451 120.544 120.400 -0.511 0.000 2.057 623 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 623 K C 2.109 178.464 176.600 -0.408 0.000 1.050 623 K CA 2.149 58.053 56.287 -0.637 0.000 0.935 623 K CB -0.611 30.987 32.500 -1.504 0.000 0.715 623 K HN 0.077 nan 8.250 nan 0.000 0.439 624 T N 1.464 115.857 114.554 -0.269 0.000 2.684 624 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 624 T C 1.830 176.438 174.700 -0.155 0.000 1.036 624 T CA 1.482 63.526 62.100 -0.095 0.000 1.148 624 T CB -0.167 68.690 68.868 -0.018 0.000 0.863 624 T HN 0.293 nan 8.240 nan 0.000 0.436 625 Q N -0.516 119.242 119.800 -0.070 0.000 2.020 625 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 625 Q C 2.085 177.952 176.000 -0.221 0.000 0.982 625 Q CA 1.885 57.634 55.803 -0.089 0.000 0.838 625 Q CB -0.377 28.396 28.738 0.057 0.000 0.899 625 Q HN 0.647 nan 8.270 nan 0.000 0.423 626 Y N 0.705 120.812 120.300 -0.321 0.000 2.097 626 Y HA -0.316 4.234 4.550 -0.000 0.000 0.282 626 Y C 2.276 177.939 175.900 -0.395 0.000 1.152 626 Y CA 1.965 59.795 58.100 -0.449 0.000 1.136 626 Y CB -0.198 38.027 38.460 -0.391 0.000 0.975 626 Y HN 0.228 nan 8.280 nan 0.000 0.498 627 H N -0.216 118.722 119.070 -0.220 0.000 2.389 627 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 627 H C 2.426 177.522 175.328 -0.387 0.000 1.081 627 H CA 1.605 57.436 56.048 -0.360 0.000 1.345 627 H CB -0.609 28.835 29.762 -0.529 0.000 1.393 627 H HN 0.455 nan 8.280 nan 0.000 0.520 628 L N 0.760 121.838 121.223 -0.241 0.000 2.012 628 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 628 L C 2.636 179.381 176.870 -0.208 0.000 1.073 628 L CA 1.308 56.023 54.840 -0.210 0.000 0.748 628 L CB -0.030 41.830 42.059 -0.331 0.000 0.891 628 L HN 0.051 nan 8.230 nan 0.000 0.431 629 R N -0.183 120.131 120.500 -0.309 0.000 2.096 629 R HA -0.154 4.185 4.340 -0.000 0.000 0.235 629 R C 2.032 178.153 176.300 -0.297 0.000 1.127 629 R CA 1.447 57.361 56.100 -0.310 0.000 0.968 629 R CB -1.334 28.753 30.300 -0.355 0.000 0.861 629 R HN 0.467 nan 8.270 nan 0.000 0.440 630 N N 0.672 119.122 118.700 -0.416 0.000 2.120 630 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 630 N C 1.727 177.152 175.510 -0.142 0.000 1.024 630 N CA 1.063 53.911 53.050 -0.335 0.000 0.852 630 N CB -0.099 38.099 38.487 -0.481 0.000 1.003 630 N HN -0.073 nan 8.380 nan 0.000 0.424 631 V N 0.780 120.628 119.914 -0.109 0.000 2.343 631 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 631 V C 2.330 178.486 176.094 0.104 0.000 1.051 631 V CA 1.525 63.793 62.300 -0.053 0.000 1.036 631 V CB -0.425 31.337 31.823 -0.102 0.000 0.654 631 V HN 0.394 nan 8.190 nan 0.000 0.451 632 M N -0.626 119.039 119.600 0.108 0.000 2.229 632 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 632 M C 1.823 178.229 176.300 0.176 0.000 1.063 632 M CA 1.585 56.988 55.300 0.171 0.000 1.114 632 M CB -0.463 32.064 32.600 -0.121 0.000 1.387 632 M HN 0.339 nan 8.290 nan 0.000 0.420 633 D N 0.117 120.542 120.400 0.041 0.000 2.162 633 D HA -0.069 4.571 4.640 -0.000 0.000 0.203 633 D C 1.968 178.302 176.300 0.056 0.000 0.967 633 D CA 1.036 55.050 54.000 0.024 0.000 0.840 633 D CB 0.027 40.800 40.800 -0.045 0.000 0.972 633 D HN 0.176 nan 8.370 nan 0.000 0.482 634 K N -0.083 120.344 120.400 0.045 0.000 2.284 634 K HA 0.206 4.526 4.320 -0.000 0.000 0.198 634 K C 1.684 178.301 176.600 0.028 0.000 1.048 634 K CA 0.165 56.469 56.287 0.028 0.000 0.987 634 K CB 0.675 33.179 32.500 0.006 0.000 0.800 634 K HN 0.201 nan 8.250 nan 0.000 0.486 635 L N -0.202 121.049 121.223 0.047 0.000 2.693 635 L HA 0.241 4.581 4.340 -0.000 0.000 0.235 635 L C -0.366 176.387 176.870 -0.195 0.000 1.127 635 L CA -0.112 54.684 54.840 -0.073 0.000 0.914 635 L CB 0.225 42.168 42.059 -0.193 0.000 1.193 635 L HN -0.031 nan 8.230 nan 0.000 0.502 636 Y N 0.250 120.561 120.300 0.017 0.000 2.512 636 Y HA 0.424 4.974 4.550 0.000 0.000 0.348 636 Y C -0.182 175.664 175.900 -0.089 0.000 0.990 636 Y CA -1.114 56.950 58.100 -0.060 0.000 1.033 636 Y CB 1.918 40.345 38.460 -0.055 0.000 1.259 636 Y HN 0.067 nan 8.280 nan 0.000 0.461 637 N N -2.426 116.269 118.700 -0.009 0.000 3.020 637 N HA 0.284 5.024 4.740 -0.000 0.000 0.248 637 N C -0.608 174.837 175.510 -0.108 0.000 1.480 637 N CA -0.577 52.450 53.050 -0.039 0.000 0.874 637 N CB 1.078 39.549 38.487 -0.027 0.000 1.433 637 N HN 0.317 nan 8.380 nan 0.000 0.530 638 S N -2.000 113.656 115.700 -0.074 0.000 2.593 638 S HA 0.313 4.783 4.470 -0.000 0.000 0.217 638 S C 0.889 175.442 174.600 -0.078 0.000 0.966 638 S CA -0.097 58.056 58.200 -0.077 0.000 0.914 638 S CB -0.878 62.313 63.200 -0.016 0.000 0.776 638 S HN 0.806 nan 8.310 nan 0.000 0.523 639 G N 1.487 110.233 108.800 -0.091 0.000 2.525 639 G HA2 0.399 4.359 3.960 -0.000 0.000 0.287 639 G HA3 0.399 4.359 3.960 -0.000 0.000 0.287 639 G C 0.943 175.749 174.900 -0.155 0.000 1.350 639 G CA -0.072 44.957 45.100 -0.118 0.000 1.039 639 G HN 0.409 nan 8.290 nan 0.000 0.513 640 S N -1.015 114.530 115.700 -0.259 0.000 2.399 640 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 640 S C 1.404 175.886 174.600 -0.197 0.000 1.022 640 S CA 1.199 59.201 58.200 -0.330 0.000 0.983 640 S CB -0.095 62.635 63.200 -0.783 0.000 0.803 640 S HN 0.496 nan 8.310 nan 0.000 0.480 641 K N 1.125 121.393 120.400 -0.220 0.000 2.675 641 K HA 0.265 4.585 4.320 -0.000 0.000 0.213 641 K C 1.448 178.016 176.600 -0.054 0.000 1.074 641 K CA 0.234 56.387 56.287 -0.224 0.000 1.172 641 K CB 0.121 32.377 32.500 -0.407 0.000 0.927 641 K HN 0.476 nan 8.250 nan 0.000 0.471 642 G N 0.192 108.959 108.800 -0.054 0.000 2.534 642 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 642 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 642 G C 0.157 174.908 174.900 -0.249 0.000 1.128 642 G CA 0.319 45.332 45.100 -0.146 0.000 0.784 642 G HN 0.258 nan 8.290 nan 0.000 0.542 643 Y N 0.464 120.765 120.300 0.002 0.000 2.751 643 Y HA 0.279 4.829 4.550 -0.000 0.000 0.333 643 Y C 1.472 177.338 175.900 -0.057 0.000 1.122 643 Y CA -1.154 56.893 58.100 -0.089 0.000 1.367 643 Y CB 0.211 38.661 38.460 -0.017 0.000 1.242 643 Y HN 0.016 nan 8.280 nan 0.000 0.505 644 C N 1.019 120.289 119.300 -0.051 0.000 2.440 644 C HA -0.045 4.415 4.460 -0.000 0.000 0.278 644 C C 1.941 176.952 174.990 0.035 0.000 1.295 644 C CA 0.601 59.628 59.018 0.016 0.000 1.738 644 C CB -1.089 26.631 27.740 -0.034 0.000 1.987 644 C HN 1.041 nan 8.230 nan 0.000 0.492 645 G N 1.044 109.842 108.800 -0.003 0.000 2.265 645 G HA2 0.087 4.047 3.960 -0.000 0.000 0.240 645 G HA3 0.087 4.047 3.960 -0.000 0.000 0.240 645 G C 0.285 175.204 174.900 0.033 0.000 1.270 645 G CA 0.028 45.147 45.100 0.031 0.000 0.901 645 G HN 0.434 nan 8.290 nan 0.000 0.507 646 D N 1.437 121.856 120.400 0.031 0.000 2.190 646 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 646 D C 1.926 178.237 176.300 0.018 0.000 0.992 646 D CA 1.161 55.169 54.000 0.012 0.000 0.854 646 D CB 0.319 41.128 40.800 0.015 0.000 0.936 646 D HN 0.589 nan 8.370 nan 0.000 0.462 647 E N 0.198 120.418 120.200 0.034 0.000 2.479 647 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 647 E C -0.044 176.553 176.600 -0.006 0.000 1.049 647 E CA 0.041 56.462 56.400 0.035 0.000 0.870 647 E CB 0.345 30.076 29.700 0.051 0.000 0.944 647 E HN 0.155 nan 8.360 nan 0.000 0.492 648 D N 0.959 121.350 120.400 -0.015 0.000 2.412 648 D HA 0.130 4.770 4.640 -0.000 0.000 0.224 648 D C -0.108 176.192 176.300 0.000 0.000 1.093 648 D CA -0.075 53.901 54.000 -0.041 0.000 0.850 648 D CB -0.116 40.660 40.800 -0.040 0.000 1.046 648 D HN 0.059 nan 8.370 nan 0.000 0.507 649 N N 2.069 120.754 118.700 -0.025 0.000 2.546 649 N HA 0.439 5.179 4.740 -0.000 0.000 0.286 649 N C 1.308 176.690 175.510 -0.213 0.000 1.259 649 N CA -0.082 52.954 53.050 -0.023 0.000 0.939 649 N CB 0.160 38.707 38.487 0.100 0.000 1.243 649 N HN 0.626 nan 8.380 nan 0.000 0.511 650 G N 0.118 108.583 108.800 -0.560 0.000 2.253 650 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.251 650 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.251 650 G C 1.251 175.855 174.900 -0.493 0.000 0.998 650 G CA 0.688 45.095 45.100 -1.155 0.000 0.621 650 G HN 0.911 nan 8.290 nan 0.000 0.524 651 Q N 1.343 121.020 119.800 -0.204 0.000 2.439 651 Q HA -0.046 4.294 4.340 -0.000 0.000 0.211 651 Q C 1.775 177.783 176.000 0.012 0.000 0.978 651 Q CA 2.123 57.886 55.803 -0.066 0.000 0.897 651 Q CB -1.122 27.601 28.738 -0.025 0.000 0.956 651 Q HN 1.028 nan 8.270 nan 0.000 0.483 652 T N -3.139 111.455 114.554 0.066 0.000 3.219 652 T HA 0.227 4.577 4.350 -0.000 0.000 0.249 652 T C 1.497 176.525 174.700 0.547 0.000 1.099 652 T CA 0.292 62.565 62.100 0.288 0.000 0.988 652 T CB 0.213 69.239 68.868 0.263 0.000 0.999 652 T HN 0.120 nan 8.240 nan 0.000 0.550 653 S N 1.895 117.840 115.700 0.408 0.000 2.359 653 S HA -0.071 4.399 4.470 -0.000 0.000 0.223 653 S C 2.505 177.308 174.600 0.337 0.000 1.039 653 S CA 1.420 59.865 58.200 0.409 0.000 1.042 653 S CB -0.757 62.596 63.200 0.254 0.000 0.915 653 S HN 0.822 nan 8.310 nan 0.000 0.439 654 A N -0.310 122.674 122.820 0.273 0.000 1.968 654 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 654 A C 1.789 179.634 177.584 0.436 0.000 1.169 654 A CA 1.200 53.380 52.037 0.238 0.000 0.638 654 A CB -0.981 18.113 19.000 0.156 0.000 0.812 654 A HN 0.739 nan 8.150 nan 0.000 0.446 655 W N -0.591 120.925 121.300 0.361 0.000 2.318 655 W HA -0.298 4.362 4.660 0.000 0.000 0.313 655 W C 2.035 178.769 176.519 0.359 0.000 1.221 655 W CA 2.195 59.818 57.345 0.464 0.000 1.266 655 W CB -0.424 29.243 29.460 0.344 0.000 1.150 655 W HN 0.471 nan 8.180 nan 0.000 0.496 656 Y N 0.098 120.723 120.300 0.542 0.000 2.181 656 Y HA -0.262 4.288 4.550 -0.000 0.000 0.288 656 Y C 2.282 178.195 175.900 0.022 0.000 1.146 656 Y CA 2.630 60.833 58.100 0.171 0.000 1.164 656 Y CB -0.730 37.671 38.460 -0.099 0.000 0.982 656 Y HN -0.172 nan 8.280 nan 0.000 0.515 657 V N -0.345 119.676 119.914 0.178 0.000 2.295 657 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 657 V C 2.092 178.156 176.094 -0.049 0.000 1.049 657 V CA 2.066 64.359 62.300 -0.011 0.000 1.024 657 V CB -0.940 30.731 31.823 -0.253 0.000 0.648 657 V HN 0.329 nan 8.190 nan 0.000 0.447 658 F N 1.003 120.887 119.950 -0.109 0.000 2.069 658 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 658 F C 2.762 178.335 175.800 -0.379 0.000 1.113 658 F CA 2.028 59.865 58.000 -0.272 0.000 1.214 658 F CB -0.837 38.078 39.000 -0.142 0.000 0.978 658 F HN 0.035 nan 8.300 nan 0.000 0.474 659 S N -0.252 115.320 115.700 -0.213 0.000 2.382 659 S HA -0.176 4.294 4.470 -0.000 0.000 0.228 659 S C 2.285 176.662 174.600 -0.373 0.000 1.027 659 S CA 0.962 58.926 58.200 -0.393 0.000 0.991 659 S CB -0.710 61.939 63.200 -0.919 0.000 0.823 659 S HN 0.378 nan 8.310 nan 0.000 0.469 660 A N 1.399 123.977 122.820 -0.403 0.000 1.969 660 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 660 A C 2.078 179.530 177.584 -0.220 0.000 1.169 660 A CA 1.165 52.985 52.037 -0.362 0.000 0.635 660 A CB -0.536 18.299 19.000 -0.275 0.000 0.810 660 A HN 0.482 nan 8.150 nan 0.000 0.445 661 M N -1.859 117.614 119.600 -0.212 0.000 2.319 661 M HA 0.078 4.558 4.480 -0.000 0.000 0.265 661 M C 1.484 177.634 176.300 -0.249 0.000 1.068 661 M CA 1.214 56.353 55.300 -0.268 0.000 1.118 661 M CB 0.035 32.350 32.600 -0.474 0.000 1.395 661 M HN 0.662 nan 8.290 nan 0.000 0.435 662 G N 0.970 109.615 108.800 -0.258 0.000 2.159 662 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.170 662 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.170 662 G C -0.235 174.798 174.900 0.222 0.000 1.007 662 G CA -0.234 44.871 45.100 0.009 0.000 0.672 662 G HN 0.502 nan 8.290 nan 0.000 0.507 663 F N -2.204 117.852 119.950 0.177 0.000 2.713 663 F HA 0.827 5.354 4.527 0.000 0.000 0.311 663 F C -1.148 174.711 175.800 0.098 0.000 1.141 663 F CA -2.538 55.571 58.000 0.181 0.000 0.939 663 F CB 1.095 40.183 39.000 0.146 0.000 1.325 663 F HN 0.263 nan 8.300 nan 0.000 0.453 664 Y N 1.627 121.864 120.300 -0.105 0.000 2.482 664 Y HA 0.564 5.114 4.550 -0.000 0.000 0.334 664 Y C -2.939 172.693 175.900 -0.447 0.000 1.091 664 Y CA -2.412 55.314 58.100 -0.624 0.000 1.027 664 Y CB 3.141 40.813 38.460 -1.315 0.000 1.306 664 Y HN 0.459 nan 8.280 nan 0.000 0.446 665 P HA 0.075 nan 4.420 nan 0.000 0.252 665 P C 0.465 177.392 177.300 -0.620 0.000 1.727 665 P CA 0.299 62.940 63.100 -0.766 0.000 1.134 665 P CB 0.765 31.988 31.700 -0.795 0.000 1.876 666 V N 1.702 121.489 119.914 -0.212 0.000 2.332 666 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 666 V C 1.451 177.445 176.094 -0.166 0.000 1.055 666 V CA 1.744 64.032 62.300 -0.019 0.000 1.038 666 V CB -0.319 31.619 31.823 0.192 0.000 0.651 666 V HN 0.572 nan 8.190 nan 0.000 0.450 667 C N 1.933 121.194 119.300 -0.066 0.000 3.002 667 C HA 0.518 4.978 4.460 -0.000 0.000 0.248 667 C C -2.682 172.390 174.990 0.138 0.000 1.153 667 C CA -2.228 56.836 59.018 0.076 0.000 1.502 667 C CB -0.264 27.572 27.740 0.161 0.000 1.805 667 C HN 0.285 nan 8.230 nan 0.000 0.450 668 P HA 0.314 nan 4.420 nan 0.000 0.266 668 P C 0.923 178.442 177.300 0.366 0.000 1.195 668 P CA 1.998 65.203 63.100 0.176 0.000 0.768 668 P CB 0.551 32.394 31.700 0.238 0.000 0.838 669 G N 1.376 110.305 108.800 0.215 0.000 2.259 669 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 669 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 669 G C -0.066 174.957 174.900 0.206 0.000 1.001 669 G CA 0.075 45.301 45.100 0.210 0.000 0.627 669 G HN 0.573 nan 8.290 nan 0.000 0.501 670 M N 3.056 122.814 119.600 0.263 0.000 2.072 670 M HA 0.607 5.087 4.480 -0.000 0.000 0.331 670 M C -2.424 173.852 176.300 -0.039 0.000 1.004 670 M CA -3.118 52.248 55.300 0.110 0.000 0.952 670 M CB 1.569 34.237 32.600 0.114 0.000 1.511 670 M HN -0.065 nan 8.290 nan 0.000 0.422 671 P HA 0.119 nan 4.420 nan 0.000 0.230 671 P C -1.484 175.766 177.300 -0.082 0.000 1.791 671 P CA 0.335 63.375 63.100 -0.101 0.000 1.020 671 P CB -0.843 30.847 31.700 -0.017 0.000 1.977 672 E N 0.962 121.008 120.200 -0.256 0.000 2.412 672 E HA 0.430 4.780 4.350 -0.000 0.000 0.279 672 E C -1.650 174.710 176.600 -0.401 0.000 0.984 672 E CA -1.062 55.259 56.400 -0.132 0.000 0.788 672 E CB 1.188 30.936 29.700 0.079 0.000 1.277 672 E HN -0.002 nan 8.360 nan 0.000 0.455 673 Y N 0.284 120.647 120.300 0.104 0.000 2.361 673 Y HA 0.575 5.125 4.550 -0.000 0.000 0.337 673 Y C 0.084 176.088 175.900 0.174 0.000 0.965 673 Y CA -0.997 57.143 58.100 0.068 0.000 1.091 673 Y CB 2.340 40.853 38.460 0.088 0.000 1.182 673 Y HN 0.753 nan 8.280 nan 0.000 0.450 674 A N 4.311 127.293 122.820 0.269 0.000 2.440 674 A HA 0.454 4.774 4.320 -0.000 0.000 0.251 674 A C -0.170 177.663 177.584 0.416 0.000 1.089 674 A CA -0.265 51.968 52.037 0.327 0.000 0.779 674 A CB -0.072 19.145 19.000 0.362 0.000 1.022 674 A HN 0.800 nan 8.150 nan 0.000 0.492 675 I N 2.776 123.604 120.570 0.430 0.000 2.441 675 I HA 0.338 4.508 4.170 -0.000 0.000 0.287 675 I C 1.298 177.678 176.117 0.438 0.000 1.049 675 I CA 0.334 61.897 61.300 0.438 0.000 1.381 675 I CB 1.469 39.690 38.000 0.369 0.000 1.409 675 I HN 0.813 nan 8.210 nan 0.000 0.523 676 G N 3.418 112.467 108.800 0.415 0.000 3.198 676 G HA2 0.354 4.314 3.960 -0.000 0.000 0.203 676 G HA3 0.354 4.314 3.960 -0.000 0.000 0.203 676 G C -0.512 174.439 174.900 0.084 0.000 1.950 676 G CA -0.033 45.181 45.100 0.191 0.000 0.798 676 G HN 0.504 nan 8.290 nan 0.000 0.720 677 S N 1.066 116.765 115.700 -0.003 0.000 2.603 677 S HA 0.590 5.060 4.470 -0.000 0.000 0.274 677 S C -3.105 171.442 174.600 -0.089 0.000 1.168 677 S CA -0.948 57.233 58.200 -0.033 0.000 0.963 677 S CB 2.315 65.455 63.200 -0.099 0.000 1.078 677 S HN 0.290 nan 8.310 nan 0.000 0.477 678 P HA 0.243 nan 4.420 nan 0.000 0.274 678 P C 0.482 177.661 177.300 -0.202 0.000 1.231 678 P CA -0.573 62.463 63.100 -0.107 0.000 0.790 678 P CB 0.928 32.613 31.700 -0.025 0.000 0.951 679 L N 1.296 122.322 121.223 -0.328 0.000 2.202 679 L HA 0.265 4.605 4.340 -0.000 0.000 0.205 679 L C 0.625 177.132 176.870 -0.604 0.000 1.083 679 L CA 1.280 55.791 54.840 -0.548 0.000 0.790 679 L CB -0.493 41.059 42.059 -0.844 0.000 0.942 679 L HN 0.180 nan 8.230 nan 0.000 0.452 680 F N -0.699 119.125 119.950 -0.210 0.000 2.457 680 F HA 0.330 4.857 4.527 -0.000 0.000 0.330 680 F C 1.631 177.360 175.800 -0.119 0.000 1.069 680 F CA -0.584 57.309 58.000 -0.178 0.000 1.009 680 F CB 0.594 39.447 39.000 -0.244 0.000 1.276 680 F HN -0.348 nan 8.300 nan 0.000 0.492 681 K N -0.032 120.446 120.400 0.130 0.000 2.211 681 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 681 K C 0.097 176.723 176.600 0.043 0.000 1.050 681 K CA 1.160 57.481 56.287 0.056 0.000 0.945 681 K CB 0.190 32.717 32.500 0.045 0.000 0.732 681 K HN 0.370 nan 8.250 nan 0.000 0.451 682 K N 0.451 120.882 120.400 0.051 0.000 2.557 682 K HA 0.176 4.496 4.320 -0.000 0.000 0.257 682 K C -1.781 174.787 176.600 -0.053 0.000 0.933 682 K CA -0.617 55.670 56.287 -0.000 0.000 0.820 682 K CB 1.941 34.433 32.500 -0.013 0.000 1.330 682 K HN -0.109 nan 8.250 nan 0.000 0.432 683 V N -0.372 119.510 119.914 -0.054 0.000 2.656 683 V HA 0.683 4.803 4.120 -0.000 0.000 0.307 683 V C -0.746 175.309 176.094 -0.064 0.000 1.051 683 V CA -0.535 61.700 62.300 -0.110 0.000 0.893 683 V CB 1.681 33.430 31.823 -0.124 0.000 0.999 683 V HN 0.712 nan 8.190 nan 0.000 0.426 684 T N 5.833 120.329 114.554 -0.096 0.000 2.786 684 T HA 0.696 5.046 4.350 -0.000 0.000 0.283 684 T C -0.614 173.944 174.700 -0.236 0.000 0.992 684 T CA -0.208 61.795 62.100 -0.162 0.000 0.954 684 T CB 1.136 69.879 68.868 -0.209 0.000 0.934 684 T HN 0.554 nan 8.240 nan 0.000 0.440 685 L N 4.536 125.663 121.223 -0.159 0.000 2.264 685 L HA 0.324 4.664 4.340 -0.000 0.000 0.289 685 L C 0.416 177.149 176.870 -0.229 0.000 1.044 685 L CA -0.396 54.371 54.840 -0.121 0.000 0.807 685 L CB 0.414 42.489 42.059 0.027 0.000 1.192 685 L HN 0.592 nan 8.230 nan 0.000 0.425 686 H N 5.544 124.634 119.070 0.034 0.000 2.741 686 H HA 0.387 4.943 4.556 -0.000 0.000 0.282 686 H C -0.186 175.134 175.328 -0.013 0.000 1.122 686 H CA -0.231 55.828 56.048 0.018 0.000 1.293 686 H CB 0.547 30.324 29.762 0.025 0.000 1.415 686 H HN 0.447 nan 8.280 nan 0.000 0.472 687 L N 4.234 125.501 121.223 0.073 0.000 2.416 687 L HA 0.396 4.736 4.340 -0.000 0.000 0.263 687 L C -1.803 175.087 176.870 0.035 0.000 1.065 687 L CA -2.118 52.736 54.840 0.023 0.000 0.798 687 L CB 0.424 42.479 42.059 -0.007 0.000 1.267 687 L HN 0.319 nan 8.230 nan 0.000 0.467 688 P HA 0.053 nan 4.420 nan 0.000 0.270 688 P C -0.640 176.675 177.300 0.025 0.000 1.223 688 P CA -0.054 63.061 63.100 0.025 0.000 0.785 688 P CB 0.300 32.016 31.700 0.027 0.000 0.923 689 E N 0.152 120.366 120.200 0.022 0.000 2.694 689 E HA -0.233 4.117 4.350 -0.000 0.000 0.272 689 E C 0.794 177.408 176.600 0.023 0.000 1.040 689 E CA 0.474 56.885 56.400 0.019 0.000 0.809 689 E CB -2.164 27.546 29.700 0.016 0.000 1.389 689 E HN 0.937 nan 8.360 nan 0.000 0.413 690 G N 0.042 108.860 108.800 0.031 0.000 2.166 690 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.260 690 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.260 690 G C 0.125 175.056 174.900 0.051 0.000 0.986 690 G CA 0.809 45.933 45.100 0.040 0.000 0.683 690 G HN 0.108 nan 8.290 nan 0.000 0.527 691 K N 0.977 121.406 120.400 0.048 0.000 2.234 691 K HA 0.376 4.696 4.320 -0.000 0.000 0.282 691 K C -0.054 176.583 176.600 0.062 0.000 1.039 691 K CA -0.396 55.918 56.287 0.046 0.000 0.928 691 K CB 0.807 33.327 32.500 0.034 0.000 1.039 691 K HN 0.290 nan 8.250 nan 0.000 0.470 692 N N 2.290 121.018 118.700 0.047 0.000 2.314 692 N HA 0.336 5.076 4.740 -0.000 0.000 0.294 692 N C -1.195 174.325 175.510 0.016 0.000 1.029 692 N CA -0.484 52.572 53.050 0.010 0.000 0.845 692 N CB 1.394 39.871 38.487 -0.017 0.000 1.321 692 N HN 0.379 nan 8.380 nan 0.000 0.481 693 F N 1.681 121.558 119.950 -0.122 0.000 2.467 693 F HA 0.453 4.980 4.527 -0.000 0.000 0.336 693 F C -0.663 175.074 175.800 -0.105 0.000 1.123 693 F CA -0.681 57.251 58.000 -0.112 0.000 0.964 693 F CB 1.139 40.064 39.000 -0.124 0.000 1.136 693 F HN 0.080 nan 8.300 nan 0.000 0.447 694 V N 6.565 126.190 119.914 -0.481 0.000 2.459 694 V HA 0.406 4.526 4.120 -0.000 0.000 0.295 694 V C -0.689 175.273 176.094 -0.219 0.000 1.029 694 V CA -0.841 61.307 62.300 -0.253 0.000 0.874 694 V CB 1.605 33.280 31.823 -0.247 0.000 0.985 694 V HN 0.511 nan 8.190 nan 0.000 0.438 695 V N 4.748 124.675 119.914 0.021 0.000 2.328 695 V HA 0.435 4.555 4.120 -0.000 0.000 0.278 695 V C 0.323 176.424 176.094 0.011 0.000 1.021 695 V CA -0.288 62.055 62.300 0.070 0.000 0.838 695 V CB 1.491 33.438 31.823 0.205 0.000 0.999 695 V HN 0.991 nan 8.190 nan 0.000 0.447 696 S N 3.637 119.323 115.700 -0.022 0.000 2.475 696 S HA 0.857 5.327 4.470 -0.000 0.000 0.298 696 S C -0.124 174.478 174.600 0.004 0.000 1.119 696 S CA -0.235 57.956 58.200 -0.017 0.000 1.085 696 S CB 1.999 65.176 63.200 -0.040 0.000 1.028 696 S HN 1.173 nan 8.310 nan 0.000 0.489 697 A N 1.937 124.763 122.820 0.010 0.000 3.266 697 A HA 0.762 5.082 4.320 -0.000 0.000 0.310 697 A C 1.013 178.602 177.584 0.008 0.000 1.066 697 A CA -0.214 51.830 52.037 0.013 0.000 0.839 697 A CB -0.301 18.706 19.000 0.012 0.000 1.192 697 A HN 1.355 nan 8.150 nan 0.000 0.496 698 A N 0.188 123.011 122.820 0.006 0.000 1.972 698 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 698 A C 1.049 178.636 177.584 0.005 0.000 1.169 698 A CA 1.781 53.821 52.037 0.005 0.000 0.635 698 A CB -0.117 18.884 19.000 0.001 0.000 0.810 698 A HN 0.487 nan 8.150 nan 0.000 0.446 699 D N 0.045 120.448 120.400 0.006 0.000 2.395 699 D HA 0.070 4.710 4.640 -0.000 0.000 0.226 699 D C -0.086 176.214 176.300 -0.001 0.000 1.146 699 D CA -0.187 53.816 54.000 0.004 0.000 0.830 699 D CB -0.342 40.463 40.800 0.008 0.000 0.958 699 D HN 0.225 nan 8.370 nan 0.000 0.501 700 N N 1.352 120.048 118.700 -0.007 0.000 2.441 700 N HA 0.290 5.030 4.740 -0.000 0.000 0.251 700 N C -0.583 174.907 175.510 -0.033 0.000 1.242 700 N CA 0.281 53.316 53.050 -0.026 0.000 0.898 700 N CB 0.780 39.244 38.487 -0.038 0.000 1.100 700 N HN 0.080 nan 8.380 nan 0.000 0.443 701 A N 0.975 123.766 122.820 -0.050 0.000 2.586 701 A HA 0.655 4.975 4.320 -0.000 0.000 0.290 701 A C 0.557 178.097 177.584 -0.073 0.000 1.086 701 A CA -0.070 51.937 52.037 -0.050 0.000 0.665 701 A CB 0.051 19.034 19.000 -0.028 0.000 1.279 701 A HN 0.596 nan 8.150 nan 0.000 0.423 702 A N 0.234 123.014 122.820 -0.067 0.000 1.948 702 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 702 A C 1.115 178.654 177.584 -0.074 0.000 1.177 702 A CA 2.536 54.527 52.037 -0.077 0.000 0.636 702 A CB -0.607 18.363 19.000 -0.049 0.000 0.815 702 A HN 1.106 nan 8.150 nan 0.000 0.449 703 D N -1.736 118.639 120.400 -0.043 0.000 2.427 703 D HA 0.124 4.764 4.640 -0.000 0.000 0.224 703 D C 0.382 176.673 176.300 -0.016 0.000 1.157 703 D CA -0.141 53.846 54.000 -0.021 0.000 0.828 703 D CB -0.265 40.540 40.800 0.008 0.000 0.974 703 D HN 0.379 nan 8.370 nan 0.000 0.498 704 R N 1.058 121.529 120.500 -0.048 0.000 2.835 704 R HA 0.238 4.578 4.340 -0.000 0.000 0.290 704 R C -2.014 174.231 176.300 -0.092 0.000 1.410 704 R CA -1.079 55.006 56.100 -0.025 0.000 1.590 704 R CB 1.366 31.666 30.300 -0.000 0.000 1.288 704 R HN 0.061 nan 8.270 nan 0.000 0.637 705 P HA -0.061 nan 4.420 nan 0.000 0.240 705 P C -0.398 176.738 177.300 -0.274 0.000 1.190 705 P CA 0.518 63.421 63.100 -0.329 0.000 0.781 705 P CB 0.333 31.719 31.700 -0.523 0.000 0.931 706 Y N 0.535 120.851 120.300 0.027 0.000 2.304 706 Y HA 0.261 4.811 4.550 -0.000 0.000 0.328 706 Y C 1.369 177.298 175.900 0.047 0.000 1.123 706 Y CA -0.775 57.356 58.100 0.052 0.000 1.218 706 Y CB 0.300 38.790 38.460 0.050 0.000 1.207 706 Y HN -0.239 nan 8.280 nan 0.000 0.495 707 I N 4.390 125.105 120.570 0.242 0.000 2.322 707 I HA 0.202 4.372 4.170 -0.000 0.000 0.292 707 I C 1.353 177.560 176.117 0.149 0.000 1.060 707 I CA -0.046 61.355 61.300 0.170 0.000 1.309 707 I CB 1.039 39.140 38.000 0.168 0.000 1.415 707 I HN 0.719 nan 8.210 nan 0.000 0.492 708 R N 6.138 126.701 120.500 0.105 0.000 2.100 708 R HA 0.109 4.449 4.340 -0.000 0.000 0.220 708 R C 0.484 176.819 176.300 0.058 0.000 1.091 708 R CA 0.946 57.082 56.100 0.061 0.000 0.986 708 R CB 0.437 30.759 30.300 0.037 0.000 0.888 708 R HN 0.619 nan 8.270 nan 0.000 0.444 709 K N -0.940 119.503 120.400 0.072 0.000 2.575 709 K HA 0.529 4.849 4.320 -0.000 0.000 0.279 709 K C -2.205 174.456 176.600 0.101 0.000 0.969 709 K CA -0.701 55.630 56.287 0.075 0.000 0.868 709 K CB 2.189 34.719 32.500 0.050 0.000 1.457 709 K HN 0.092 nan 8.250 nan 0.000 0.426 710 A N 3.073 125.972 122.820 0.131 0.000 2.486 710 A HA 0.689 5.009 4.320 -0.000 0.000 0.300 710 A C -1.733 175.948 177.584 0.162 0.000 1.048 710 A CA -0.793 51.347 52.037 0.172 0.000 0.696 710 A CB 1.127 20.316 19.000 0.314 0.000 1.278 710 A HN 0.534 nan 8.150 nan 0.000 0.405 711 L N 2.099 123.375 121.223 0.088 0.000 2.333 711 L HA 0.518 4.858 4.340 -0.000 0.000 0.280 711 L C -1.022 175.818 176.870 -0.050 0.000 1.004 711 L CA -0.819 54.050 54.840 0.048 0.000 0.820 711 L CB 1.782 43.848 42.059 0.011 0.000 1.247 711 L HN 0.658 nan 8.230 nan 0.000 0.416 712 L N 5.186 126.357 121.223 -0.087 0.000 2.262 712 L HA 0.450 4.790 4.340 -0.000 0.000 0.288 712 L C 0.266 177.067 176.870 -0.115 0.000 1.035 712 L CA 0.182 54.881 54.840 -0.235 0.000 0.820 712 L CB 0.325 42.077 42.059 -0.511 0.000 1.204 712 L HN 0.586 nan 8.230 nan 0.000 0.424 713 N N 4.430 123.051 118.700 -0.132 0.000 2.727 713 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 713 N C 0.987 176.463 175.510 -0.056 0.000 1.048 713 N CA 1.192 54.184 53.050 -0.095 0.000 0.714 713 N CB -1.282 37.166 38.487 -0.066 0.000 0.959 713 N HN 1.201 nan 8.380 nan 0.000 0.544 714 G N -1.695 107.074 108.800 -0.052 0.000 2.179 714 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 714 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 714 G C -0.171 174.729 174.900 -0.000 0.000 0.977 714 G CA 0.485 45.569 45.100 -0.025 0.000 0.641 714 G HN 0.442 nan 8.290 nan 0.000 0.533 715 Q N 0.563 120.371 119.800 0.013 0.000 2.256 715 Q HA 0.429 4.769 4.340 -0.000 0.000 0.257 715 Q C 0.261 176.312 176.000 0.085 0.000 0.936 715 Q CA -0.607 55.222 55.803 0.044 0.000 0.903 715 Q CB 1.655 30.424 28.738 0.052 0.000 1.263 715 Q HN 0.635 nan 8.270 nan 0.000 0.440 716 E N 2.049 122.297 120.200 0.080 0.000 2.529 716 E HA -0.004 4.346 4.350 -0.000 0.000 0.259 716 E C -1.346 175.359 176.600 0.174 0.000 0.966 716 E CA 0.274 56.735 56.400 0.102 0.000 0.937 716 E CB 0.361 30.095 29.700 0.058 0.000 0.923 716 E HN 0.365 nan 8.360 nan 0.000 0.468 717 F N 3.983 123.933 119.950 0.001 0.000 2.562 717 F HA 0.250 4.777 4.527 -0.000 0.000 0.319 717 F C 0.310 176.111 175.800 0.002 0.000 1.154 717 F CA -0.341 57.655 58.000 -0.007 0.000 0.931 717 F CB 1.796 40.795 39.000 -0.002 0.000 1.198 717 F HN 0.439 nan 8.300 nan 0.000 0.444 718 T N 1.128 115.380 114.554 -0.503 0.000 3.043 718 T HA 0.358 4.708 4.350 -0.000 0.000 0.272 718 T C 0.694 175.075 174.700 -0.532 0.000 0.990 718 T CA -0.271 61.605 62.100 -0.373 0.000 0.897 718 T CB -0.050 68.711 68.868 -0.177 0.000 1.111 718 T HN 0.505 nan 8.240 nan 0.000 0.529 719 R N 2.020 121.915 120.500 -1.009 0.000 2.643 719 R HA 0.296 4.636 4.340 -0.000 0.000 0.270 719 R C 0.133 176.145 176.300 -0.482 0.000 1.061 719 R CA -0.270 55.387 56.100 -0.739 0.000 1.107 719 R CB 0.225 29.968 30.300 -0.928 0.000 0.999 719 R HN 0.177 nan 8.270 nan 0.000 0.460 720 N N 1.823 120.480 118.700 -0.073 0.000 2.322 720 N HA 0.040 4.780 4.740 -0.000 0.000 0.216 720 N C -1.069 174.612 175.510 0.285 0.000 1.144 720 N CA 0.210 53.340 53.050 0.133 0.000 0.830 720 N CB 0.155 38.750 38.487 0.179 0.000 1.034 720 N HN 0.467 nan 8.380 nan 0.000 0.484 721 Y N -2.460 117.922 120.300 0.136 0.000 2.581 721 Y HA 0.592 5.142 4.550 -0.000 0.000 0.337 721 Y C -1.433 174.636 175.900 0.282 0.000 1.108 721 Y CA -1.321 56.891 58.100 0.187 0.000 1.033 721 Y CB 0.842 39.364 38.460 0.105 0.000 1.318 721 Y HN -0.290 nan 8.280 nan 0.000 0.459 722 L N 3.120 124.505 121.223 0.269 0.000 2.334 722 L HA 0.602 4.942 4.340 -0.000 0.000 0.276 722 L C 0.225 177.236 176.870 0.235 0.000 1.014 722 L CA -1.023 53.879 54.840 0.104 0.000 0.815 722 L CB 2.406 44.342 42.059 -0.204 0.000 1.268 722 L HN 0.957 nan 8.230 nan 0.000 0.428 723 T N -3.316 111.347 114.554 0.181 0.000 2.899 723 T HA 0.055 4.405 4.350 -0.000 0.000 0.295 723 T C 1.170 175.983 174.700 0.188 0.000 1.033 723 T CA -0.329 61.902 62.100 0.219 0.000 1.084 723 T CB 0.887 69.870 68.868 0.191 0.000 0.979 723 T HN 0.617 nan 8.240 nan 0.000 0.532 724 H N 1.070 120.249 119.070 0.181 0.000 2.353 724 H HA -0.148 4.408 4.556 -0.000 0.000 0.298 724 H C 1.214 176.571 175.328 0.048 0.000 1.103 724 H CA 2.358 58.528 56.048 0.203 0.000 1.293 724 H CB 0.037 29.910 29.762 0.183 0.000 1.372 724 H HN 0.718 nan 8.280 nan 0.000 0.501 725 D N 0.379 120.841 120.400 0.103 0.000 2.144 725 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 725 D C 2.155 178.428 176.300 -0.045 0.000 0.984 725 D CA 0.937 54.953 54.000 0.028 0.000 0.834 725 D CB -0.216 40.625 40.800 0.068 0.000 0.955 725 D HN 0.576 nan 8.370 nan 0.000 0.465 726 E N -0.158 120.006 120.200 -0.060 0.000 2.110 726 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 726 E C 2.282 178.736 176.600 -0.243 0.000 0.988 726 E CA 0.432 56.774 56.400 -0.096 0.000 0.804 726 E CB 0.023 29.665 29.700 -0.097 0.000 0.745 726 E HN 0.263 nan 8.360 nan 0.000 0.458 727 L N 0.705 121.632 121.223 -0.493 0.000 2.044 727 L HA -0.157 4.183 4.340 -0.000 0.000 0.205 727 L C 2.573 179.244 176.870 -0.333 0.000 1.075 727 L CA 1.138 55.513 54.840 -0.775 0.000 0.747 727 L CB -0.270 41.288 42.059 -0.835 0.000 0.903 727 L HN -0.000 nan 8.230 nan 0.000 0.435 728 K N 0.038 120.258 120.400 -0.301 0.000 2.097 728 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 728 K C 2.110 178.675 176.600 -0.059 0.000 1.049 728 K CA 1.360 57.532 56.287 -0.192 0.000 0.933 728 K CB 0.024 32.403 32.500 -0.202 0.000 0.717 728 K HN 0.318 nan 8.250 nan 0.000 0.442 729 Q N -0.267 119.517 119.800 -0.027 0.000 2.291 729 Q HA 0.010 4.350 4.340 -0.000 0.000 0.205 729 Q C 0.526 176.560 176.000 0.057 0.000 0.970 729 Q CA 0.569 56.383 55.803 0.019 0.000 0.876 729 Q CB 0.061 28.816 28.738 0.028 0.000 0.935 729 Q HN 0.524 nan 8.270 nan 0.000 0.455 730 G N -1.071 107.805 108.800 0.127 0.000 2.781 730 G HA2 0.106 4.066 3.960 -0.000 0.000 0.683 730 G HA3 0.106 4.066 3.960 -0.000 0.000 0.683 730 G C 0.002 174.981 174.900 0.131 0.000 1.390 730 G CA -0.443 44.759 45.100 0.170 0.000 0.850 730 G HN 0.705 nan 8.290 nan 0.000 0.557 731 G N -0.688 108.050 108.800 -0.102 0.000 2.247 731 G HA2 0.599 4.559 3.960 -0.000 0.000 0.229 731 G HA3 0.599 4.559 3.960 -0.000 0.000 0.229 731 G C -0.651 173.777 174.900 -0.787 0.000 1.345 731 G CA 0.720 45.634 45.100 -0.310 0.000 1.100 731 G HN 1.942 nan 8.290 nan 0.000 0.473 732 E N -1.098 118.626 120.200 -0.792 0.000 2.335 732 E HA 0.531 4.881 4.350 -0.000 0.000 0.280 732 E C -1.908 174.368 176.600 -0.540 0.000 0.918 732 E CA -0.828 55.100 56.400 -0.786 0.000 0.765 732 E CB 2.057 31.517 29.700 -0.400 0.000 1.218 732 E HN 0.812 nan 8.360 nan 0.000 0.425 733 L N 4.662 125.625 121.223 -0.432 0.000 2.276 733 L HA 0.479 4.819 4.340 -0.000 0.000 0.286 733 L C -1.181 175.632 176.870 -0.095 0.000 1.024 733 L CA -0.385 54.358 54.840 -0.160 0.000 0.826 733 L CB 0.924 42.999 42.059 0.027 0.000 1.211 733 L HN 0.462 nan 8.230 nan 0.000 0.422 734 N N 6.078 124.733 118.700 -0.075 0.000 2.485 734 N HA 0.350 5.090 4.740 -0.000 0.000 0.243 734 N C -1.488 174.030 175.510 0.014 0.000 0.987 734 N CA -0.262 52.766 53.050 -0.036 0.000 0.940 734 N CB 0.538 38.998 38.487 -0.046 0.000 1.122 734 N HN 0.640 nan 8.380 nan 0.000 0.509 735 L N 1.814 123.055 121.223 0.031 0.000 2.295 735 L HA 0.417 4.757 4.340 -0.000 0.000 0.285 735 L C 0.201 177.098 176.870 0.045 0.000 1.035 735 L CA -0.770 54.105 54.840 0.059 0.000 0.806 735 L CB 1.584 43.688 42.059 0.075 0.000 1.214 735 L HN 0.382 nan 8.230 nan 0.000 0.426 736 S N 4.321 120.054 115.700 0.053 0.000 2.420 736 S HA 0.515 4.985 4.470 -0.000 0.000 0.313 736 S C 0.021 174.653 174.600 0.054 0.000 1.079 736 S CA -0.760 57.466 58.200 0.043 0.000 1.104 736 S CB 0.722 63.945 63.200 0.038 0.000 0.969 736 S HN 0.360 nan 8.310 nan 0.000 0.471 737 M N 2.882 122.509 119.600 0.045 0.000 2.291 737 M HA 0.536 5.016 4.480 -0.000 0.000 0.324 737 M C -0.024 176.313 176.300 0.062 0.000 1.148 737 M CA -0.449 54.884 55.300 0.055 0.000 1.104 737 M CB 0.624 33.239 32.600 0.026 0.000 1.483 737 M HN 0.473 nan 8.290 nan 0.000 0.467 738 D N -0.777 119.683 120.400 0.100 0.000 2.599 738 D HA 0.336 4.976 4.640 -0.000 0.000 0.252 738 D C -0.040 176.373 176.300 0.188 0.000 1.232 738 D CA -0.230 53.835 54.000 0.107 0.000 0.819 738 D CB 1.552 42.403 40.800 0.086 0.000 1.401 738 D HN 0.570 nan 8.370 nan 0.000 0.429 739 S N -0.522 115.269 115.700 0.153 0.000 2.575 739 S HA 0.275 4.745 4.470 -0.000 0.000 0.215 739 S C 0.733 175.493 174.600 0.267 0.000 0.966 739 S CA 0.184 58.506 58.200 0.203 0.000 0.911 739 S CB -0.443 62.815 63.200 0.096 0.000 0.780 739 S HN 0.467 nan 8.310 nan 0.000 0.514 740 V N -1.698 118.280 119.914 0.107 0.000 2.864 740 V HA 0.754 4.874 4.120 -0.000 0.000 0.314 740 V C -3.158 172.586 176.094 -0.584 0.000 1.073 740 V CA -3.017 59.161 62.300 -0.203 0.000 0.956 740 V CB 1.752 33.469 31.823 -0.177 0.000 1.023 740 V HN -0.048 nan 8.190 nan 0.000 0.435 741 P HA 0.200 nan 4.420 nan 0.000 0.275 741 P C -0.869 176.074 177.300 -0.595 0.000 1.227 741 P CA -0.046 62.408 63.100 -1.077 0.000 0.781 741 P CB 0.568 31.540 31.700 -1.213 0.000 0.906 742 N N 2.297 120.785 118.700 -0.354 0.000 2.602 742 N HA 0.042 4.782 4.740 -0.000 0.000 0.238 742 N C 0.723 176.002 175.510 -0.385 0.000 1.084 742 N CA 0.086 52.974 53.050 -0.270 0.000 0.952 742 N CB 0.106 38.541 38.487 -0.086 0.000 1.244 742 N HN 0.245 nan 8.380 nan 0.000 0.512 743 Q N 1.301 120.713 119.800 -0.646 0.000 2.515 743 Q HA -0.009 4.331 4.340 -0.000 0.000 0.212 743 Q C 0.762 176.591 176.000 -0.285 0.000 0.970 743 Q CA 0.729 55.981 55.803 -0.918 0.000 0.941 743 Q CB 0.323 28.450 28.738 -1.018 0.000 0.998 743 Q HN 0.663 nan 8.270 nan 0.000 0.518 744 Q N -0.015 119.697 119.800 -0.147 0.000 2.398 744 Q HA 0.056 4.396 4.340 -0.000 0.000 0.204 744 Q C 0.387 176.413 176.000 0.044 0.000 0.932 744 Q CA 0.073 55.859 55.803 -0.029 0.000 0.916 744 Q CB 0.487 29.198 28.738 -0.045 0.000 1.024 744 Q HN 0.091 nan 8.270 nan 0.000 0.504 745 R N -0.307 120.238 120.500 0.074 0.000 2.312 745 R HA 0.339 4.679 4.340 -0.000 0.000 0.311 745 R C 0.034 176.440 176.300 0.176 0.000 1.004 745 R CA 0.602 56.762 56.100 0.099 0.000 0.902 745 R CB 0.641 30.991 30.300 0.084 0.000 1.073 745 R HN 0.233 nan 8.270 nan 0.000 0.457 746 G N 2.691 111.554 108.800 0.106 0.000 2.160 746 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 746 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 746 G C 0.446 175.477 174.900 0.219 0.000 1.022 746 G CA 0.654 45.825 45.100 0.119 0.000 0.741 746 G HN 0.748 nan 8.290 nan 0.000 0.508 747 T N -3.115 111.556 114.554 0.196 0.000 3.069 747 T HA 0.418 4.768 4.350 -0.000 0.000 0.252 747 T C 0.715 175.478 174.700 0.105 0.000 1.053 747 T CA 0.288 62.557 62.100 0.282 0.000 0.964 747 T CB 0.597 69.641 68.868 0.292 0.000 1.005 747 T HN 0.310 nan 8.240 nan 0.000 0.532 748 Q N 1.434 121.142 119.800 -0.154 0.000 2.227 748 Q HA 0.348 4.688 4.340 -0.000 0.000 0.245 748 Q C -1.996 173.461 176.000 -0.905 0.000 0.926 748 Q CA -2.664 52.945 55.803 -0.324 0.000 0.895 748 Q CB 1.510 30.137 28.738 -0.185 0.000 1.230 748 Q HN 0.024 nan 8.270 nan 0.000 0.450 749 P HA -0.194 nan 4.420 nan 0.000 0.216 749 P C 0.763 177.759 177.300 -0.506 0.000 1.150 749 P CA 2.111 64.773 63.100 -0.729 0.000 0.843 749 P CB 0.164 31.755 31.700 -0.182 0.000 0.787 750 A N -0.547 122.094 122.820 -0.299 0.000 2.125 750 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 750 A C 1.681 179.198 177.584 -0.111 0.000 1.156 750 A CA 1.659 53.614 52.037 -0.136 0.000 0.671 750 A CB -1.003 17.942 19.000 -0.092 0.000 0.794 750 A HN 0.131 nan 8.150 nan 0.000 0.459 751 D N -1.150 119.092 120.400 -0.263 0.000 2.348 751 D HA 0.106 4.746 4.640 -0.000 0.000 0.211 751 D C -0.261 176.134 176.300 0.159 0.000 0.998 751 D CA 0.137 54.069 54.000 -0.114 0.000 0.873 751 D CB -0.051 40.663 40.800 -0.142 0.000 0.925 751 D HN 0.329 nan 8.370 nan 0.000 0.524 752 F N 1.423 121.429 119.950 0.093 0.000 2.389 752 F HA 0.315 4.842 4.527 0.000 0.000 0.337 752 F C -1.592 174.140 175.800 -0.113 0.000 1.112 752 F CA -3.093 54.892 58.000 -0.024 0.000 1.192 752 F CB -0.201 38.786 39.000 -0.021 0.000 1.185 752 F HN -0.233 nan 8.300 nan 0.000 0.552 753 P HA 0.077 nan 4.420 nan 0.000 0.297 753 P C -1.002 176.214 177.300 -0.140 0.000 1.303 753 P CA -0.424 62.322 63.100 -0.589 0.000 0.753 753 P CB 0.321 31.611 31.700 -0.683 0.000 1.281 754 Y N 0.062 120.286 120.300 -0.126 0.000 2.497 754 Y HA 0.299 4.849 4.550 -0.000 0.000 0.334 754 Y C -0.312 175.711 175.900 0.205 0.000 1.199 754 Y CA 1.125 59.268 58.100 0.071 0.000 1.425 754 Y CB 0.224 38.745 38.460 0.101 0.000 1.291 754 Y HN 0.159 nan 8.280 nan 0.000 0.562 755 S N 5.317 120.613 115.700 -0.673 0.000 2.540 755 S HA 0.093 4.563 4.470 -0.000 0.000 0.275 755 S C -0.282 173.770 174.600 -0.913 0.000 1.123 755 S CA -0.767 57.061 58.200 -0.621 0.000 0.907 755 S CB 0.935 64.016 63.200 -0.199 0.000 1.081 755 S HN 0.772 nan 8.310 nan 0.000 0.476 756 Y N 2.952 122.912 120.300 -0.568 0.000 2.193 756 Y HA -0.179 4.371 4.550 -0.000 0.000 0.285 756 Y C 2.127 177.983 175.900 -0.074 0.000 1.166 756 Y CA 2.211 60.252 58.100 -0.098 0.000 1.181 756 Y CB -0.251 38.346 38.460 0.229 0.000 0.976 756 Y HN 0.607 nan 8.280 nan 0.000 0.520 757 S N -0.205 115.389 115.700 -0.176 0.000 2.436 757 S HA -0.024 4.446 4.470 -0.000 0.000 0.228 757 S C 1.076 175.574 174.600 -0.169 0.000 1.014 757 S CA 0.053 58.142 58.200 -0.185 0.000 0.950 757 S CB -0.184 62.995 63.200 -0.034 0.000 0.784 757 S HN 0.310 nan 8.310 nan 0.000 0.504 758 K N 0.000 120.305 120.400 -0.159 0.000 2.780 758 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 758 K CA 0.000 56.239 56.287 -0.081 0.000 0.838 758 K CB 0.000 32.450 32.500 -0.084 0.000 1.064 758 K HN 0.000 nan 8.250 nan 0.000 0.543