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_A 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 0.000 174.550 174.600 -0.084 0.000 1.055 22 S CA 0.000 58.163 58.200 -0.062 0.000 1.107 22 S CB 0.000 63.171 63.200 -0.049 0.000 0.593 23 K N 1.360 121.712 120.400 -0.080 0.000 2.436 23 K HA 0.352 4.673 4.320 0.002 0.000 0.275 23 K C -0.666 175.870 176.600 -0.107 0.000 0.999 23 K CA 0.479 56.708 56.287 -0.096 0.000 0.980 23 K CB 0.218 32.670 32.500 -0.079 0.000 0.919 23 K HN 0.594 nan 8.250 nan 0.000 0.484 24 K N 2.173 122.491 120.400 -0.138 0.000 2.385 24 K HA 0.182 4.503 4.320 0.002 0.000 0.248 24 K C 0.683 177.203 176.600 -0.134 0.000 0.955 24 K CA -0.835 55.368 56.287 -0.139 0.000 0.816 24 K CB 1.899 34.283 32.500 -0.194 0.000 1.250 24 K HN 0.543 nan 8.250 nan 0.000 0.434 25 T N 0.027 114.517 114.554 -0.106 0.000 2.720 25 T HA -0.081 4.270 4.350 0.002 0.000 0.268 25 T C 0.701 175.321 174.700 -0.133 0.000 1.037 25 T CA 1.000 63.041 62.100 -0.099 0.000 1.144 25 T CB 0.086 68.913 68.868 -0.068 0.000 0.864 25 T HN 0.229 nan 8.240 nan 0.000 0.444 26 V N 2.577 122.396 119.914 -0.158 0.000 2.350 26 V HA 0.329 4.450 4.120 0.002 0.000 0.285 26 V C -0.164 175.746 176.094 -0.307 0.000 1.014 26 V CA -0.935 61.215 62.300 -0.251 0.000 0.831 26 V CB 1.754 33.413 31.823 -0.274 0.000 1.000 26 V HN 0.217 nan 8.190 nan 0.000 0.433 27 E N 2.563 122.567 120.200 -0.327 0.000 2.280 27 E HA 0.369 4.720 4.350 0.002 0.000 0.264 27 E C 0.530 176.953 176.600 -0.296 0.000 1.064 27 E CA -0.557 55.634 56.400 -0.348 0.000 0.900 27 E CB 1.042 30.596 29.700 -0.243 0.000 1.123 27 E HN 0.451 nan 8.360 nan 0.000 0.418 28 F N 0.392 120.254 119.950 -0.146 0.000 2.161 28 F HA -0.172 4.356 4.527 0.002 0.000 0.300 28 F C 2.294 178.000 175.800 -0.157 0.000 1.089 28 F CA 0.680 58.514 58.000 -0.277 0.000 1.282 28 F CB -0.861 37.843 39.000 -0.493 0.000 1.010 28 F HN 0.273 nan 8.300 nan 0.000 0.485 29 V N 0.139 120.108 119.914 0.091 0.000 2.759 29 V HA -0.206 3.915 4.120 0.002 0.000 0.256 29 V C 1.701 177.801 176.094 0.010 0.000 1.080 29 V CA 1.843 64.191 62.300 0.079 0.000 1.101 29 V CB -0.462 31.437 31.823 0.126 0.000 0.698 29 V HN 0.187 nan 8.190 nan 0.000 0.477 30 D N -0.726 119.615 120.400 -0.098 0.000 2.263 30 D HA -0.144 4.497 4.640 0.002 0.000 0.208 30 D C 1.635 177.812 176.300 -0.204 0.000 0.971 30 D CA 1.240 55.130 54.000 -0.184 0.000 0.867 30 D CB -0.121 40.480 40.800 -0.331 0.000 0.929 30 D HN 0.611 nan 8.370 nan 0.000 0.492 31 Y N 0.389 120.718 120.300 0.049 0.000 2.544 31 Y HA 0.053 4.605 4.550 0.002 0.000 0.286 31 Y C 0.977 176.915 175.900 0.064 0.000 1.141 31 Y CA -0.111 58.053 58.100 0.107 0.000 1.299 31 Y CB 0.047 38.660 38.460 0.255 0.000 1.030 31 Y HN -0.271 nan 8.280 nan 0.000 0.543 32 V N 2.068 122.036 119.914 0.089 0.000 2.508 32 V HA 0.043 4.164 4.120 0.002 0.000 0.281 32 V C -0.063 175.921 176.094 -0.183 0.000 1.041 32 V CA -0.484 61.763 62.300 -0.087 0.000 1.016 32 V CB 0.761 32.372 31.823 -0.352 0.000 0.984 32 V HN 0.222 nan 8.190 nan 0.000 0.478 33 N N 6.905 125.517 118.700 -0.146 0.000 2.564 33 N HA 0.411 5.152 4.740 0.002 0.000 0.248 33 N C -2.028 173.382 175.510 -0.167 0.000 0.986 33 N CA -2.237 50.727 53.050 -0.143 0.000 0.921 33 N CB 2.138 40.590 38.487 -0.058 0.000 1.136 33 N HN 0.192 nan 8.380 nan 0.000 0.509 34 P HA 0.032 nan 4.420 nan 0.000 0.230 34 P C 0.760 178.061 177.300 0.002 0.000 1.158 34 P CA 0.822 63.830 63.100 -0.153 0.000 0.769 34 P CB 0.354 31.908 31.700 -0.242 0.000 0.807 35 L N -1.969 119.245 121.223 -0.016 0.000 2.592 35 L HA 0.213 4.554 4.340 0.002 0.000 0.227 35 L C 1.213 178.083 176.870 0.000 0.000 1.127 35 L CA -0.368 54.483 54.840 0.019 0.000 0.884 35 L CB -0.417 41.659 42.059 0.029 0.000 1.065 35 L HN 0.081 nan 8.230 nan 0.000 0.457 36 M N 0.633 120.244 119.600 0.017 0.000 2.284 36 M HA 0.102 4.583 4.480 0.002 0.000 0.351 36 M C 1.262 177.631 176.300 0.115 0.000 1.443 36 M CA 1.384 56.691 55.300 0.012 0.000 1.031 36 M CB 0.242 32.836 32.600 -0.010 0.000 1.893 36 M HN 0.283 nan 8.290 nan 0.000 0.456 37 G N 2.883 111.729 108.800 0.078 0.000 2.168 37 G HA2 -0.321 3.640 3.960 0.002 0.000 0.263 37 G HA3 -0.321 3.640 3.960 0.002 0.000 0.263 37 G C 0.607 175.597 174.900 0.151 0.000 0.977 37 G CA 0.880 46.109 45.100 0.215 0.000 0.659 37 G HN 0.863 nan 8.290 nan 0.000 0.533 38 T N -0.400 114.200 114.554 0.077 0.000 2.849 38 T HA -0.052 4.299 4.350 0.002 0.000 0.270 38 T C 1.797 176.548 174.700 0.085 0.000 1.066 38 T CA 2.123 64.289 62.100 0.110 0.000 1.130 38 T CB -0.183 68.775 68.868 0.150 0.000 0.864 38 T HN 0.672 nan 8.240 nan 0.000 0.481 39 E N -0.197 120.004 120.200 0.002 0.000 2.476 39 E HA 0.202 4.553 4.350 0.002 0.000 0.196 39 E C 1.480 178.105 176.600 0.042 0.000 1.029 39 E CA -0.165 56.244 56.400 0.015 0.000 0.896 39 E CB 0.418 30.095 29.700 -0.039 0.000 1.012 39 E HN 0.248 nan 8.360 nan 0.000 0.475 40 S N 0.638 116.383 115.700 0.075 0.000 2.575 40 S HA -0.003 4.468 4.470 0.002 0.000 0.215 40 S C 0.667 175.337 174.600 0.118 0.000 0.966 40 S CA 0.122 58.382 58.200 0.100 0.000 0.911 40 S CB 0.340 63.638 63.200 0.163 0.000 0.780 40 S HN 0.344 nan 8.310 nan 0.000 0.514 41 T N -0.484 114.143 114.554 0.121 0.000 2.859 41 T HA 0.598 4.949 4.350 0.002 0.000 0.281 41 T C -0.515 174.306 174.700 0.202 0.000 1.005 41 T CA -0.753 61.439 62.100 0.154 0.000 1.025 41 T CB 0.925 69.880 68.868 0.145 0.000 0.977 41 T HN 0.023 nan 8.240 nan 0.000 0.458 42 F N 3.362 123.362 119.950 0.084 0.000 2.495 42 F HA 0.538 5.066 4.527 0.002 0.000 0.365 42 F C 1.427 177.312 175.800 0.141 0.000 1.090 42 F CA -0.962 57.099 58.000 0.100 0.000 1.235 42 F CB 0.252 39.325 39.000 0.121 0.000 1.119 42 F HN 0.896 nan 8.300 nan 0.000 0.562 43 A N 5.751 128.288 122.820 -0.471 0.000 1.927 43 A HA -0.227 4.094 4.320 0.002 0.000 0.220 43 A C 1.298 178.721 177.584 -0.268 0.000 1.185 43 A CA 1.538 53.270 52.037 -0.508 0.000 0.639 43 A CB -1.167 17.313 19.000 -0.868 0.000 0.820 43 A HN 0.663 nan 8.150 nan 0.000 0.451 44 F N 0.642 120.215 119.950 -0.629 0.000 2.974 44 F HA 0.303 4.831 4.527 0.002 0.000 0.292 44 F C 1.029 176.749 175.800 -0.132 0.000 1.209 44 F CA 0.258 58.085 58.000 -0.288 0.000 1.366 44 F CB 0.098 38.835 39.000 -0.439 0.000 1.033 44 F HN 0.213 nan 8.300 nan 0.000 0.516 45 S N -2.179 113.643 115.700 0.203 0.000 2.709 45 S HA 0.368 4.839 4.470 0.002 0.000 0.302 45 S C 0.461 175.203 174.600 0.237 0.000 1.127 45 S CA -0.699 57.642 58.200 0.236 0.000 0.905 45 S CB 1.155 64.577 63.200 0.370 0.000 1.151 45 S HN 0.263 nan 8.310 nan 0.000 0.510 46 H N 0.291 119.560 119.070 0.333 0.000 2.543 46 H HA 0.237 4.794 4.556 0.002 0.000 0.269 46 H C 1.181 176.660 175.328 0.252 0.000 1.005 46 H CA 0.525 56.762 56.048 0.316 0.000 1.146 46 H CB -0.570 29.373 29.762 0.302 0.000 1.353 46 H HN 0.765 nan 8.280 nan 0.000 0.595 47 G N 1.242 110.225 108.800 0.306 0.000 2.361 47 G HA2 -0.023 3.938 3.960 0.002 0.000 0.260 47 G HA3 -0.023 3.938 3.960 0.002 0.000 0.260 47 G C 0.350 175.370 174.900 0.199 0.000 1.261 47 G CA -0.433 44.785 45.100 0.196 0.000 0.897 47 G HN 0.195 nan 8.290 nan 0.000 0.499 48 N N 0.154 118.943 118.700 0.148 0.000 2.467 48 N HA 0.283 5.024 4.740 0.002 0.000 0.262 48 N C 1.284 176.879 175.510 0.142 0.000 1.234 48 N CA 0.301 53.449 53.050 0.164 0.000 0.952 48 N CB 1.411 39.933 38.487 0.058 0.000 1.158 48 N HN 0.585 nan 8.380 nan 0.000 0.463 49 T N -2.733 111.959 114.554 0.231 0.000 3.275 49 T HA 0.175 4.526 4.350 0.002 0.000 0.298 49 T C -0.117 174.761 174.700 0.296 0.000 0.988 49 T CA -0.423 61.822 62.100 0.242 0.000 0.936 49 T CB -0.769 68.271 68.868 0.287 0.000 1.159 49 T HN 0.445 nan 8.240 nan 0.000 0.519 50 Y N 0.390 120.799 120.300 0.182 0.000 2.334 50 Y HA 0.751 5.302 4.550 0.001 0.000 0.328 50 Y C -2.829 173.052 175.900 -0.031 0.000 1.130 50 Y CA -3.651 54.487 58.100 0.063 0.000 1.163 50 Y CB 0.791 39.303 38.460 0.086 0.000 1.207 50 Y HN -0.163 nan 8.280 nan 0.000 0.471 51 P HA 0.201 nan 4.420 nan 0.000 0.238 51 P C -0.476 176.849 177.300 0.041 0.000 1.794 51 P CA 0.062 63.127 63.100 -0.059 0.000 1.088 51 P CB -0.119 31.487 31.700 -0.156 0.000 1.923 52 A N 3.519 126.393 122.820 0.090 0.000 2.524 52 A HA 0.196 4.517 4.320 0.002 0.000 0.250 52 A C 0.411 178.017 177.584 0.036 0.000 1.078 52 A CA -0.020 52.078 52.037 0.102 0.000 0.761 52 A CB -0.005 18.890 19.000 -0.176 0.000 1.012 52 A HN 0.342 nan 8.150 nan 0.000 0.500 53 V N 2.645 122.604 119.914 0.076 0.000 2.383 53 V HA 0.652 4.773 4.120 0.002 0.000 0.275 53 V C 0.610 176.793 176.094 0.149 0.000 1.036 53 V CA 0.797 63.147 62.300 0.083 0.000 0.889 53 V CB 0.254 32.130 31.823 0.088 0.000 0.985 53 V HN 1.390 nan 8.190 nan 0.000 0.459 54 A N 4.516 127.456 122.820 0.199 0.000 2.511 54 A HA 0.899 5.220 4.320 0.002 0.000 0.293 54 A C -0.866 176.969 177.584 0.418 0.000 1.098 54 A CA -0.146 52.033 52.037 0.238 0.000 0.643 54 A CB 1.593 20.478 19.000 -0.190 0.000 1.302 54 A HN 1.364 nan 8.150 nan 0.000 0.446 55 V N -2.781 117.258 119.914 0.209 0.000 2.994 55 V HA 0.830 4.951 4.120 0.002 0.000 0.318 55 V C -2.947 172.928 176.094 -0.365 0.000 1.085 55 V CA -2.800 59.420 62.300 -0.134 0.000 0.998 55 V CB 1.135 32.889 31.823 -0.115 0.000 1.063 55 V HN 0.625 nan 8.190 nan 0.000 0.447 56 P HA 0.052 nan 4.420 nan 0.000 0.265 56 P C -0.088 176.939 177.300 -0.456 0.000 1.193 56 P CA 0.520 62.939 63.100 -1.134 0.000 0.765 56 P CB -0.036 30.617 31.700 -1.744 0.000 0.823 57 W N 0.036 121.254 121.300 -0.136 0.000 4.650 57 W HA -0.162 4.499 4.660 0.001 0.000 0.335 57 W C 0.640 177.191 176.519 0.053 0.000 1.222 57 W CA 0.807 58.152 57.345 0.001 0.000 0.807 57 W CB -2.440 27.001 29.460 -0.031 0.000 2.290 57 W HN 0.474 nan 8.180 nan 0.000 1.514 58 G N 0.816 109.807 108.800 0.319 0.000 2.432 58 G HA2 0.232 4.193 3.960 0.002 0.000 0.239 58 G HA3 0.232 4.193 3.960 0.002 0.000 0.239 58 G C 0.799 175.802 174.900 0.171 0.000 1.291 58 G CA 0.203 45.468 45.100 0.275 0.000 0.863 58 G HN 0.245 nan 8.290 nan 0.000 0.560 59 M N 1.715 121.377 119.600 0.104 0.000 2.159 59 M HA -0.049 4.432 4.480 0.002 0.000 0.263 59 M C 0.495 176.916 176.300 0.201 0.000 1.063 59 M CA 1.307 56.676 55.300 0.115 0.000 1.110 59 M CB -0.083 32.568 32.600 0.085 0.000 1.374 59 M HN 0.610 nan 8.290 nan 0.000 0.411 60 N N -0.507 118.309 118.700 0.195 0.000 2.342 60 N HA 0.369 5.110 4.740 0.002 0.000 0.293 60 N C -1.552 174.073 175.510 0.191 0.000 1.026 60 N CA -0.759 52.345 53.050 0.089 0.000 0.857 60 N CB 1.375 39.955 38.487 0.156 0.000 1.256 60 N HN -0.051 nan 8.380 nan 0.000 0.484 61 F N 0.722 120.558 119.950 -0.190 0.000 2.497 61 F HA 0.557 5.085 4.527 0.001 0.000 0.331 61 F C -0.290 175.310 175.800 -0.333 0.000 1.060 61 F CA -1.332 56.623 58.000 -0.075 0.000 0.989 61 F CB 0.703 39.708 39.000 0.007 0.000 1.245 61 F HN 0.371 nan 8.300 nan 0.000 0.486 62 W N 0.094 121.478 121.300 0.141 0.000 2.844 62 W HA 0.615 5.277 4.660 0.003 0.000 0.340 62 W C -0.422 176.086 176.519 -0.018 0.000 1.093 62 W CA -0.554 56.789 57.345 -0.005 0.000 1.212 62 W CB 2.094 31.525 29.460 -0.048 0.000 1.422 62 W HN 0.379 nan 8.180 nan 0.000 0.515 63 S N 3.029 118.784 115.700 0.091 0.000 2.537 63 S HA 0.586 5.057 4.470 0.002 0.000 0.271 63 S C -2.888 171.662 174.600 -0.083 0.000 1.148 63 S CA -1.498 56.674 58.200 -0.046 0.000 0.868 63 S CB 1.391 64.506 63.200 -0.142 0.000 1.115 63 S HN 0.160 nan 8.310 nan 0.000 0.461 64 P HA 0.125 nan 4.420 nan 0.000 0.269 64 P C -1.391 175.838 177.300 -0.118 0.000 1.209 64 P CA -0.024 62.862 63.100 -0.356 0.000 0.776 64 P CB 0.322 31.736 31.700 -0.478 0.000 0.876 65 Q N 1.049 120.743 119.800 -0.177 0.000 2.310 65 Q HA 0.332 4.673 4.340 0.002 0.000 0.270 65 Q C 0.348 176.337 176.000 -0.019 0.000 1.025 65 Q CA -0.449 55.325 55.803 -0.048 0.000 0.772 65 Q CB 1.337 30.025 28.738 -0.083 0.000 1.253 65 Q HN 0.523 nan 8.270 nan 0.000 0.450 66 T N -0.255 114.324 114.554 0.040 0.000 3.000 66 T HA 0.298 4.649 4.350 0.002 0.000 0.248 66 T C 0.856 175.574 174.700 0.029 0.000 1.034 66 T CA 0.422 62.541 62.100 0.031 0.000 1.060 66 T CB 0.291 69.151 68.868 -0.014 0.000 0.983 66 T HN 0.516 nan 8.240 nan 0.000 0.482 67 G N 0.919 109.743 108.800 0.038 0.000 2.572 67 G HA2 0.459 4.420 3.960 0.002 0.000 0.261 67 G HA3 0.459 4.420 3.960 0.002 0.000 0.261 67 G C -0.471 174.446 174.900 0.029 0.000 1.197 67 G CA -0.653 44.475 45.100 0.047 0.000 0.870 67 G HN 0.471 nan 8.290 nan 0.000 0.548 68 E N 0.089 120.312 120.200 0.038 0.000 2.418 68 E HA -0.034 4.317 4.350 0.002 0.000 0.261 68 E C 0.005 176.508 176.600 -0.162 0.000 1.070 68 E CA -0.247 56.190 56.400 0.061 0.000 0.931 68 E CB 0.399 30.158 29.700 0.098 0.000 0.954 68 E HN 0.341 nan 8.360 nan 0.000 0.439 69 N N 0.580 118.943 118.700 -0.562 0.000 2.356 69 N HA 0.007 4.748 4.740 0.002 0.000 0.252 69 N C 0.845 175.976 175.510 -0.631 0.000 1.241 69 N CA 1.321 53.815 53.050 -0.928 0.000 0.861 69 N CB 0.667 38.024 38.487 -1.884 0.000 1.075 69 N HN 0.765 nan 8.380 nan 0.000 0.461 70 G N 0.126 108.709 108.800 -0.363 0.000 2.258 70 G HA2 -0.276 3.685 3.960 0.002 0.000 0.233 70 G HA3 -0.276 3.685 3.960 0.002 0.000 0.233 70 G C 0.290 175.132 174.900 -0.097 0.000 1.006 70 G CA 0.375 45.383 45.100 -0.152 0.000 0.620 70 G HN 0.796 nan 8.290 nan 0.000 0.511 71 S N 0.957 116.574 115.700 -0.137 0.000 2.523 71 S HA 0.531 5.002 4.470 0.002 0.000 0.275 71 S C 1.745 176.199 174.600 -0.243 0.000 1.281 71 S CA 0.822 58.905 58.200 -0.194 0.000 1.050 71 S CB 1.087 64.235 63.200 -0.086 0.000 0.937 71 S HN 1.376 nan 8.310 nan 0.000 0.492 72 G N 4.047 112.545 108.800 -0.502 0.000 2.498 72 G HA2 -0.084 3.877 3.960 0.002 0.000 0.219 72 G HA3 -0.084 3.877 3.960 0.002 0.000 0.219 72 G C 0.340 175.034 174.900 -0.344 0.000 1.119 72 G CA 0.006 44.802 45.100 -0.506 0.000 0.766 72 G HN 0.788 nan 8.290 nan 0.000 0.552 73 W N 1.192 122.385 121.300 -0.178 0.000 1.664 73 W HA 0.445 5.106 4.660 0.001 0.000 0.428 73 W C 1.234 177.735 176.519 -0.029 0.000 0.726 73 W CA -1.352 55.935 57.345 -0.096 0.000 1.774 73 W CB -0.515 28.862 29.460 -0.139 0.000 1.801 73 W HN 0.132 nan 8.180 nan 0.000 0.243 74 M N 1.437 121.140 119.600 0.172 0.000 2.132 74 M HA -0.146 4.335 4.480 0.002 0.000 0.263 74 M C -0.186 176.222 176.300 0.181 0.000 1.065 74 M CA 1.784 57.142 55.300 0.096 0.000 1.122 74 M CB 0.152 32.737 32.600 -0.024 0.000 1.365 74 M HN 0.060 nan 8.290 nan 0.000 0.411 75 Y N 0.443 120.826 120.300 0.139 0.000 2.326 75 Y HA 0.358 4.909 4.550 0.002 0.000 0.329 75 Y C -1.456 174.566 175.900 0.204 0.000 0.973 75 Y CA -0.742 57.456 58.100 0.162 0.000 1.162 75 Y CB 1.554 40.125 38.460 0.185 0.000 1.147 75 Y HN -0.176 nan 8.280 nan 0.000 0.456 76 T N 7.250 121.695 114.554 -0.182 0.000 2.791 76 T HA 0.070 4.421 4.350 0.002 0.000 0.288 76 T C 0.267 174.830 174.700 -0.227 0.000 0.999 76 T CA -0.295 61.745 62.100 -0.099 0.000 0.952 76 T CB 0.498 69.324 68.868 -0.069 0.000 0.938 76 T HN 0.776 nan 8.240 nan 0.000 0.444 77 Y N 3.774 123.996 120.300 -0.131 0.000 2.256 77 Y HA -0.214 4.337 4.550 0.002 0.000 0.288 77 Y C 2.601 178.547 175.900 0.076 0.000 1.155 77 Y CA 2.211 60.304 58.100 -0.011 0.000 1.203 77 Y CB -0.146 38.357 38.460 0.071 0.000 0.980 77 Y HN 0.700 nan 8.280 nan 0.000 0.530 78 T N -2.583 112.002 114.554 0.051 0.000 3.113 78 T HA 0.018 4.369 4.350 0.002 0.000 0.256 78 T C 0.199 174.833 174.700 -0.109 0.000 1.131 78 T CA 0.231 62.322 62.100 -0.015 0.000 1.074 78 T CB -0.267 68.612 68.868 0.018 0.000 0.944 78 T HN 0.051 nan 8.240 nan 0.000 0.516 79 D N 2.221 122.534 120.400 -0.146 0.000 2.255 79 D HA 0.349 4.990 4.640 0.002 0.000 0.249 79 D C 0.704 176.835 176.300 -0.282 0.000 1.078 79 D CA -0.163 53.740 54.000 -0.162 0.000 0.896 79 D CB 1.719 42.454 40.800 -0.108 0.000 1.194 79 D HN 0.379 nan 8.370 nan 0.000 0.429 80 S N 0.972 116.487 115.700 -0.310 0.000 2.663 80 S HA 0.274 4.745 4.470 0.002 0.000 0.243 80 S C 0.184 174.574 174.600 -0.351 0.000 1.009 80 S CA -0.516 57.325 58.200 -0.598 0.000 0.988 80 S CB -0.095 62.818 63.200 -0.478 0.000 0.896 80 S HN 0.287 nan 8.310 nan 0.000 0.502 81 L N 2.022 123.237 121.223 -0.013 0.000 2.349 81 L HA 0.637 4.978 4.340 0.002 0.000 0.278 81 L C -0.590 176.458 176.870 0.296 0.000 0.996 81 L CA -0.675 54.263 54.840 0.163 0.000 0.825 81 L CB 1.957 44.048 42.059 0.054 0.000 1.243 81 L HN 0.230 nan 8.230 nan 0.000 0.412 82 M N 2.573 122.409 119.600 0.394 0.000 2.264 82 M HA 0.373 4.854 4.480 0.002 0.000 0.352 82 M C 0.546 176.877 176.300 0.051 0.000 1.173 82 M CA 0.404 55.826 55.300 0.204 0.000 1.075 82 M CB 1.141 33.894 32.600 0.255 0.000 1.621 82 M HN 0.470 nan 8.290 nan 0.000 0.457 83 R N 2.450 122.935 120.500 -0.025 0.000 2.287 83 R HA 0.488 4.829 4.340 0.002 0.000 0.197 83 R C 0.368 176.637 176.300 -0.051 0.000 0.900 83 R CA 0.097 56.183 56.100 -0.024 0.000 1.052 83 R CB 0.941 31.251 30.300 0.016 0.000 1.117 83 R HN 0.882 nan 8.270 nan 0.000 0.568 84 G N 0.088 108.787 108.800 -0.169 0.000 2.349 84 G HA2 0.392 4.354 3.960 0.002 0.000 0.294 84 G HA3 0.392 4.354 3.960 0.002 0.000 0.294 84 G C -1.848 172.799 174.900 -0.421 0.000 1.380 84 G CA -0.859 44.154 45.100 -0.144 0.000 0.811 84 G HN -0.009 nan 8.290 nan 0.000 0.519 85 F N 1.254 121.322 119.950 0.196 0.000 2.403 85 F HA 0.590 5.119 4.527 0.003 0.000 0.355 85 F C 0.756 176.680 175.800 0.207 0.000 1.119 85 F CA -0.852 57.300 58.000 0.253 0.000 1.007 85 F CB 1.926 41.226 39.000 0.500 0.000 1.194 85 F HN -0.055 nan 8.300 nan 0.000 0.443 86 R N 2.175 122.720 120.500 0.074 0.000 2.368 86 R HA 0.226 4.567 4.340 0.002 0.000 0.302 86 R C -0.255 175.555 176.300 -0.817 0.000 1.002 86 R CA -0.685 55.223 56.100 -0.320 0.000 0.929 86 R CB 1.782 31.880 30.300 -0.336 0.000 1.073 86 R HN 0.695 nan 8.270 nan 0.000 0.464 87 Q N 1.897 120.740 119.800 -1.594 0.000 2.307 87 Q HA 0.110 4.451 4.340 0.002 0.000 0.259 87 Q C -0.895 174.422 176.000 -1.139 0.000 0.998 87 Q CA 0.329 54.939 55.803 -1.989 0.000 0.923 87 Q CB 0.947 28.475 28.738 -2.018 0.000 1.196 87 Q HN 0.500 nan 8.270 nan 0.000 0.416 88 T N 2.572 116.542 114.554 -0.974 0.000 2.906 88 T HA 0.367 4.718 4.350 0.002 0.000 0.295 88 T C -0.337 173.821 174.700 -0.904 0.000 1.061 88 T CA -0.539 61.103 62.100 -0.762 0.000 1.000 88 T CB 1.031 69.556 68.868 -0.570 0.000 1.103 88 T HN 0.750 nan 8.240 nan 0.000 0.486 89 H N 1.585 120.461 119.070 -0.323 0.000 2.923 89 H HA 0.246 4.803 4.556 0.001 0.000 0.268 89 H C 0.508 175.862 175.328 0.044 0.000 1.148 89 H CA -0.244 55.635 56.048 -0.282 0.000 1.146 89 H CB 0.653 30.021 29.762 -0.656 0.000 1.607 89 H HN 0.566 nan 8.280 nan 0.000 0.566 90 Q N 4.088 123.992 119.800 0.172 0.000 2.255 90 Q HA 0.030 4.371 4.340 0.002 0.000 0.280 90 Q C -1.759 174.568 176.000 0.545 0.000 1.068 90 Q CA -1.294 54.697 55.803 0.312 0.000 0.911 90 Q CB 1.123 29.973 28.738 0.187 0.000 1.157 90 Q HN 0.123 nan 8.270 nan 0.000 0.380 91 P HA 0.081 nan 4.420 nan 0.000 0.267 91 P C -0.587 176.809 177.300 0.160 0.000 1.289 91 P CA 0.222 63.412 63.100 0.149 0.000 0.866 91 P CB 0.711 32.546 31.700 0.225 0.000 1.309 92 S N -0.054 115.789 115.700 0.238 0.000 2.556 92 S HA 0.377 4.848 4.470 0.002 0.000 0.280 92 S C -2.640 172.046 174.600 0.144 0.000 1.141 92 S CA -1.003 57.344 58.200 0.246 0.000 0.883 92 S CB 1.415 64.818 63.200 0.338 0.000 1.103 92 S HN -0.309 nan 8.310 nan 0.000 0.453 93 P HA 0.062 nan 4.420 nan 0.000 0.221 93 P C 0.729 177.713 177.300 -0.527 0.000 1.150 93 P CA 1.011 63.937 63.100 -0.290 0.000 0.800 93 P CB -0.111 31.307 31.700 -0.471 0.000 0.787 94 W N -0.695 120.525 121.300 -0.134 0.000 2.523 94 W HA 0.064 4.725 4.660 0.002 0.000 0.278 94 W C 2.216 178.667 176.519 -0.114 0.000 1.236 94 W CA -0.059 57.183 57.345 -0.172 0.000 1.306 94 W CB -0.553 28.765 29.460 -0.237 0.000 1.101 94 W HN -0.216 nan 8.180 nan 0.000 0.577 95 I N 0.205 120.823 120.570 0.081 0.000 2.315 95 I HA -0.187 3.984 4.170 0.002 0.000 0.248 95 I C 1.326 177.425 176.117 -0.031 0.000 1.117 95 I CA 1.278 62.528 61.300 -0.084 0.000 1.404 95 I CB -1.388 36.454 38.000 -0.263 0.000 1.071 95 I HN 0.159 nan 8.210 nan 0.000 0.419 96 N N 0.776 119.468 118.700 -0.014 0.000 6.681 96 N HA -0.211 4.530 4.740 0.002 0.000 0.407 96 N C -0.296 175.276 175.510 0.103 0.000 0.934 96 N CA 0.997 54.045 53.050 -0.004 0.000 1.206 96 N CB -0.523 37.940 38.487 -0.039 0.000 0.835 96 N HN 0.191 nan 8.380 nan 0.000 0.310 97 D N -0.919 119.576 120.400 0.158 0.000 2.392 97 D HA 0.734 5.375 4.640 0.002 0.000 0.246 97 D C -0.733 175.732 176.300 0.276 0.000 1.013 97 D CA 0.083 54.183 54.000 0.167 0.000 0.993 97 D CB 0.809 41.631 40.800 0.035 0.000 1.219 97 D HN 0.438 nan 8.370 nan 0.000 0.538 98 Y N -3.043 117.378 120.300 0.201 0.000 2.624 98 Y HA 0.478 5.029 4.550 0.002 0.000 0.334 98 Y C 0.355 176.548 175.900 0.488 0.000 1.155 98 Y CA -1.051 57.187 58.100 0.229 0.000 1.046 98 Y CB 0.895 39.342 38.460 -0.021 0.000 1.316 98 Y HN 0.506 nan 8.280 nan 0.000 0.457 99 G N 0.939 110.167 108.800 0.713 0.000 2.338 99 G HA2 -0.133 3.828 3.960 0.002 0.000 0.296 99 G HA3 -0.133 3.828 3.960 0.002 0.000 0.296 99 G C -0.235 174.831 174.900 0.276 0.000 1.040 99 G CA 0.736 46.194 45.100 0.598 0.000 1.004 99 G HN 1.038 nan 8.290 nan 0.000 0.509 100 T N -0.467 114.124 114.554 0.063 0.000 2.856 100 T HA 0.806 5.157 4.350 0.002 0.000 0.283 100 T C -0.248 174.341 174.700 -0.184 0.000 1.008 100 T CA -0.151 61.790 62.100 -0.265 0.000 0.997 100 T CB 0.975 69.508 68.868 -0.559 0.000 0.992 100 T HN 1.288 nan 8.240 nan 0.000 0.454 101 F N 1.303 121.049 119.950 -0.341 0.000 2.664 101 F HA 0.869 5.397 4.527 0.001 0.000 0.317 101 F C -0.609 175.085 175.800 -0.177 0.000 1.108 101 F CA -1.058 56.800 58.000 -0.238 0.000 0.957 101 F CB 1.209 39.907 39.000 -0.504 0.000 1.365 101 F HN 0.581 nan 8.300 nan 0.000 0.475 102 S N 0.747 116.489 115.700 0.070 0.000 2.627 102 S HA 0.859 5.330 4.470 0.002 0.000 0.283 102 S C -1.420 173.332 174.600 0.253 0.000 1.127 102 S CA -0.755 57.479 58.200 0.056 0.000 0.863 102 S CB 1.957 65.218 63.200 0.102 0.000 1.121 102 S HN 0.794 nan 8.310 nan 0.000 0.479 103 I N 1.388 122.139 120.570 0.302 0.000 2.545 103 I HA 0.560 4.731 4.170 0.002 0.000 0.292 103 I C -1.258 175.051 176.117 0.319 0.000 1.040 103 I CA -0.616 60.831 61.300 0.245 0.000 1.068 103 I CB 2.206 40.198 38.000 -0.013 0.000 1.251 103 I HN 0.686 nan 8.210 nan 0.000 0.424 104 M N 9.897 129.658 119.600 0.269 0.000 2.122 104 M HA 0.490 4.971 4.480 0.002 0.000 0.269 104 M C -2.845 173.608 176.300 0.255 0.000 0.954 104 M CA -2.168 53.315 55.300 0.304 0.000 0.998 104 M CB 1.811 34.520 32.600 0.181 0.000 1.755 104 M HN 0.055 nan 8.290 nan 0.000 0.459 105 P HA 0.425 nan 4.420 nan 0.000 0.275 105 P C -1.313 176.104 177.300 0.194 0.000 1.228 105 P CA -0.177 63.073 63.100 0.249 0.000 0.786 105 P CB 0.906 32.673 31.700 0.110 0.000 0.927 106 L N 1.226 122.641 121.223 0.321 0.000 2.422 106 L HA 0.726 5.067 4.340 0.002 0.000 0.264 106 L C -0.215 176.879 176.870 0.372 0.000 0.984 106 L CA -1.049 53.924 54.840 0.222 0.000 0.819 106 L CB 2.346 44.500 42.059 0.157 0.000 1.330 106 L HN 0.339 nan 8.230 nan 0.000 0.410 107 A N 1.146 124.113 122.820 0.245 0.000 2.337 107 A HA 0.881 5.202 4.320 0.002 0.000 0.329 107 A C 0.498 178.187 177.584 0.174 0.000 1.146 107 A CA 0.339 52.527 52.037 0.252 0.000 0.800 107 A CB 1.391 20.529 19.000 0.231 0.000 1.220 107 A HN 1.084 nan 8.150 nan 0.000 0.472 108 G N 0.500 109.399 108.800 0.165 0.000 3.594 108 G HA2 -0.166 3.795 3.960 0.002 0.000 0.285 108 G HA3 -0.166 3.795 3.960 0.002 0.000 0.285 108 G C 0.311 175.313 174.900 0.170 0.000 1.551 108 G CA 0.445 45.620 45.100 0.125 0.000 1.061 108 G HN 1.578 nan 8.290 nan 0.000 0.624 109 E N 0.469 120.710 120.200 0.070 0.000 2.200 109 E HA 0.585 4.936 4.350 0.002 0.000 0.283 109 E C 0.027 176.521 176.600 -0.178 0.000 1.015 109 E CA -0.204 56.179 56.400 -0.029 0.000 0.819 109 E CB 1.226 30.895 29.700 -0.051 0.000 1.081 109 E HN 1.252 nan 8.360 nan 0.000 0.397 110 L N 4.741 125.700 121.223 -0.440 0.000 2.367 110 L HA 0.420 4.761 4.340 0.002 0.000 0.275 110 L C -0.471 176.144 176.870 -0.425 0.000 1.129 110 L CA 0.457 54.848 54.840 -0.749 0.000 0.839 110 L CB 0.474 41.828 42.059 -1.175 0.000 1.133 110 L HN 0.420 nan 8.230 nan 0.000 0.453 111 K N 6.039 126.231 120.400 -0.345 0.000 2.507 111 K HA 0.330 4.651 4.320 0.002 0.000 0.251 111 K C -0.010 176.421 176.600 -0.282 0.000 0.943 111 K CA -0.656 55.469 56.287 -0.269 0.000 0.794 111 K CB 2.035 34.425 32.500 -0.184 0.000 1.188 111 K HN 0.570 nan 8.250 nan 0.000 0.428 112 M N -0.254 119.118 119.600 -0.380 0.000 2.384 112 M HA 0.063 4.544 4.480 0.002 0.000 0.258 112 M C 1.123 177.188 176.300 -0.391 0.000 1.130 112 M CA 0.682 55.697 55.300 -0.476 0.000 1.187 112 M CB -0.707 31.340 32.600 -0.921 0.000 1.307 112 M HN 0.511 nan 8.290 nan 0.000 0.468 113 S N 1.460 116.900 115.700 -0.433 0.000 2.562 113 S HA -0.009 4.462 4.470 0.002 0.000 0.281 113 S C 1.516 176.109 174.600 -0.011 0.000 1.333 113 S CA -0.320 57.836 58.200 -0.073 0.000 1.052 113 S CB 0.207 63.395 63.200 -0.021 0.000 0.884 113 S HN 0.558 nan 8.310 nan 0.000 0.506 114 H N 4.451 123.595 119.070 0.123 0.000 2.460 114 H HA -0.046 4.511 4.556 0.002 0.000 0.297 114 H C 1.068 176.376 175.328 -0.033 0.000 1.103 114 H CA 1.461 57.515 56.048 0.010 0.000 1.292 114 H CB -0.120 29.605 29.762 -0.062 0.000 1.376 114 H HN 0.585 nan 8.280 nan 0.000 0.531 115 K N 0.701 120.705 120.400 -0.660 0.000 2.283 115 K HA -0.048 4.273 4.320 0.002 0.000 0.202 115 K C 1.415 177.898 176.600 -0.195 0.000 1.048 115 K CA 0.898 56.925 56.287 -0.433 0.000 0.948 115 K CB 0.229 32.486 32.500 -0.406 0.000 0.742 115 K HN 0.618 nan 8.250 nan 0.000 0.458 116 E N 0.016 120.119 120.200 -0.161 0.000 2.490 116 E HA 0.065 4.416 4.350 0.002 0.000 0.209 116 E C -0.003 176.540 176.600 -0.095 0.000 0.971 116 E CA -0.137 56.193 56.400 -0.117 0.000 0.988 116 E CB 0.627 30.249 29.700 -0.130 0.000 1.029 116 E HN 0.078 nan 8.360 nan 0.000 0.496 117 R N 1.854 122.306 120.500 -0.079 0.000 2.429 117 R HA 0.208 4.549 4.340 0.002 0.000 0.302 117 R C -0.846 175.432 176.300 -0.038 0.000 1.268 117 R CA 0.102 56.166 56.100 -0.060 0.000 1.090 117 R CB 0.352 30.633 30.300 -0.033 0.000 1.102 117 R HN -0.112 nan 8.270 nan 0.000 0.522 118 L N 4.038 125.237 121.223 -0.039 0.000 2.457 118 L HA 0.387 4.728 4.340 0.002 0.000 0.266 118 L C -0.661 176.209 176.870 -0.000 0.000 0.979 118 L CA -0.632 54.204 54.840 -0.008 0.000 0.857 118 L CB 1.820 43.872 42.059 -0.011 0.000 1.213 118 L HN 0.210 nan 8.230 nan 0.000 0.418 119 V N 5.042 124.973 119.914 0.028 0.000 2.409 119 V HA 0.481 4.602 4.120 0.002 0.000 0.291 119 V C -2.114 174.138 176.094 0.263 0.000 1.020 119 V CA -1.683 60.633 62.300 0.026 0.000 0.848 119 V CB 2.159 33.818 31.823 -0.273 0.000 0.990 119 V HN 0.489 nan 8.190 nan 0.000 0.430 120 P HA 0.377 nan 4.420 nan 0.000 0.275 120 P C -0.974 176.569 177.300 0.406 0.000 1.227 120 P CA 0.085 63.314 63.100 0.214 0.000 0.781 120 P CB 0.483 32.230 31.700 0.077 0.000 0.906 121 F N -1.014 118.992 119.950 0.093 0.000 2.662 121 F HA 0.720 5.249 4.527 0.002 0.000 0.312 121 F C -0.976 174.746 175.800 -0.130 0.000 1.113 121 F CA -1.235 56.764 58.000 -0.002 0.000 0.951 121 F CB 1.287 40.226 39.000 -0.101 0.000 1.344 121 F HN 0.226 nan 8.300 nan 0.000 0.462 122 S N 0.183 115.808 115.700 -0.124 0.000 2.501 122 S HA 0.344 4.815 4.470 0.002 0.000 0.301 122 S C 0.406 174.950 174.600 -0.093 0.000 1.096 122 S CA -0.568 57.489 58.200 -0.240 0.000 1.063 122 S CB 0.561 63.709 63.200 -0.086 0.000 1.042 122 S HN 0.796 nan 8.310 nan 0.000 0.494 123 H N 2.987 122.023 119.070 -0.056 0.000 2.518 123 H HA -0.033 4.524 4.556 0.002 0.000 0.289 123 H C 1.555 176.920 175.328 0.061 0.000 1.051 123 H CA 1.312 57.400 56.048 0.067 0.000 1.280 123 H CB 0.205 29.969 29.762 0.002 0.000 1.380 123 H HN 0.704 nan 8.280 nan 0.000 0.566 124 Q N 0.058 119.927 119.800 0.115 0.000 2.291 124 Q HA -0.075 4.266 4.340 0.002 0.000 0.205 124 Q C 0.880 176.905 176.000 0.041 0.000 0.970 124 Q CA 0.684 56.530 55.803 0.071 0.000 0.876 124 Q CB 0.342 29.103 28.738 0.039 0.000 0.935 124 Q HN 0.333 nan 8.270 nan 0.000 0.455 125 Q N 0.362 120.185 119.800 0.037 0.000 2.241 125 Q HA 0.166 4.507 4.340 0.002 0.000 0.296 125 Q C -0.930 175.043 176.000 -0.046 0.000 0.889 125 Q CA 0.090 55.889 55.803 -0.008 0.000 1.089 125 Q CB 0.898 29.629 28.738 -0.013 0.000 1.195 125 Q HN 0.285 nan 8.270 nan 0.000 0.451 126 E N 0.795 120.988 120.200 -0.012 0.000 2.234 126 E HA 0.313 4.664 4.350 0.002 0.000 0.266 126 E C -1.006 175.507 176.600 -0.146 0.000 0.877 126 E CA -0.542 55.797 56.400 -0.101 0.000 0.758 126 E CB 1.195 30.979 29.700 0.139 0.000 1.170 126 E HN -0.258 nan 8.360 nan 0.000 0.415 127 K N 3.150 123.345 120.400 -0.342 0.000 2.664 127 K HA 0.428 4.749 4.320 0.002 0.000 0.234 127 K C -1.760 174.608 176.600 -0.386 0.000 0.980 127 K CA -0.462 55.661 56.287 -0.272 0.000 0.996 127 K CB 1.343 33.702 32.500 -0.234 0.000 1.190 127 K HN 0.559 nan 8.250 nan 0.000 0.479 128 A N 2.785 125.463 122.820 -0.236 0.000 2.260 128 A HA 0.616 4.937 4.320 0.002 0.000 0.308 128 A C 0.081 177.523 177.584 -0.237 0.000 1.254 128 A CA -0.278 51.680 52.037 -0.131 0.000 0.874 128 A CB 0.413 19.466 19.000 0.088 0.000 1.153 128 A HN 0.689 nan 8.150 nan 0.000 0.527 129 T N -0.246 114.088 114.554 -0.366 0.000 2.865 129 T HA 0.661 5.012 4.350 0.002 0.000 0.294 129 T C -2.632 171.712 174.700 -0.593 0.000 1.119 129 T CA -1.606 60.150 62.100 -0.573 0.000 1.007 129 T CB 1.689 69.984 68.868 -0.956 0.000 1.225 129 T HN 0.111 nan 8.240 nan 0.000 0.515 130 P HA 0.036 nan 4.420 nan 0.000 0.221 130 P C 0.741 177.915 177.300 -0.209 0.000 1.150 130 P CA 0.778 63.513 63.100 -0.607 0.000 0.800 130 P CB -0.284 30.636 31.700 -1.301 0.000 0.787 131 Y N -2.629 117.596 120.300 -0.125 0.000 2.458 131 Y HA 0.480 5.031 4.550 0.002 0.000 0.256 131 Y C -0.050 175.836 175.900 -0.022 0.000 1.159 131 Y CA -0.919 57.202 58.100 0.035 0.000 1.261 131 Y CB -0.388 38.118 38.460 0.077 0.000 1.119 131 Y HN -0.213 nan 8.280 nan 0.000 0.524 132 N N -0.120 118.323 118.700 -0.427 0.000 2.827 132 N HA 0.151 4.892 4.740 0.002 0.000 0.248 132 N C -2.473 172.873 175.510 -0.273 0.000 1.074 132 N CA -0.610 52.265 53.050 -0.291 0.000 1.042 132 N CB 0.888 39.236 38.487 -0.232 0.000 1.684 132 N HN 0.218 nan 8.380 nan 0.000 0.542 133 Y N 2.514 122.648 120.300 -0.276 0.000 2.335 133 Y HA 0.690 5.241 4.550 0.001 0.000 0.338 133 Y C -0.875 174.899 175.900 -0.209 0.000 0.977 133 Y CA -0.350 57.622 58.100 -0.214 0.000 1.114 133 Y CB 1.466 39.851 38.460 -0.125 0.000 1.182 133 Y HN 0.445 nan 8.280 nan 0.000 0.463 134 S N 5.580 120.903 115.700 -0.628 0.000 2.521 134 S HA 0.815 5.286 4.470 0.002 0.000 0.295 134 S C -2.027 172.225 174.600 -0.581 0.000 1.098 134 S CA -0.565 57.370 58.200 -0.442 0.000 0.999 134 S CB 1.322 64.345 63.200 -0.295 0.000 1.034 134 S HN 0.746 nan 8.310 nan 0.000 0.483 135 V N 3.826 123.520 119.914 -0.368 0.000 2.932 135 V HA 0.735 4.856 4.120 0.002 0.000 0.307 135 V C -1.080 174.801 176.094 -0.354 0.000 1.147 135 V CA -0.239 61.831 62.300 -0.384 0.000 0.951 135 V CB 2.501 34.071 31.823 -0.421 0.000 1.031 135 V HN 0.963 nan 8.190 nan 0.000 0.426 136 T N 6.765 121.144 114.554 -0.292 0.000 2.786 136 T HA 0.605 4.956 4.350 0.002 0.000 0.283 136 T C -0.566 174.036 174.700 -0.164 0.000 0.992 136 T CA 0.001 61.998 62.100 -0.171 0.000 0.954 136 T CB 0.739 69.574 68.868 -0.056 0.000 0.934 136 T HN 0.405 nan 8.240 nan 0.000 0.440 137 F N 1.898 121.916 119.950 0.113 0.000 2.399 137 F HA 0.248 4.776 4.527 0.001 0.000 0.313 137 F C 1.953 177.820 175.800 0.110 0.000 1.202 137 F CA -0.688 57.403 58.000 0.152 0.000 1.192 137 F CB 0.407 39.495 39.000 0.147 0.000 1.256 137 F HN 0.417 nan 8.300 nan 0.000 0.558 138 N N 0.989 119.872 118.700 0.305 0.000 2.272 138 N HA -0.190 4.551 4.740 0.002 0.000 0.185 138 N C 1.168 176.766 175.510 0.148 0.000 1.014 138 N CA 1.191 54.340 53.050 0.167 0.000 0.870 138 N CB -0.618 37.941 38.487 0.120 0.000 0.975 138 N HN 0.554 nan 8.380 nan 0.000 0.433 139 N N -0.512 118.299 118.700 0.184 0.000 2.461 139 N HA 0.073 4.814 4.740 0.002 0.000 0.188 139 N C 1.070 176.664 175.510 0.139 0.000 1.134 139 N CA 0.845 53.977 53.050 0.137 0.000 0.878 139 N CB -0.142 38.416 38.487 0.120 0.000 0.972 139 N HN 0.199 nan 8.380 nan 0.000 0.456 140 G N -0.301 108.595 108.800 0.160 0.000 2.194 140 G HA2 -0.269 3.692 3.960 0.002 0.000 0.236 140 G HA3 -0.269 3.692 3.960 0.002 0.000 0.236 140 G C -0.219 174.768 174.900 0.144 0.000 0.987 140 G CA 0.132 45.308 45.100 0.127 0.000 0.635 140 G HN 0.501 nan 8.290 nan 0.000 0.520 141 L N 1.420 122.771 121.223 0.214 0.000 2.462 141 L HA 0.548 4.889 4.340 0.002 0.000 0.272 141 L C 0.432 177.438 176.870 0.227 0.000 1.166 141 L CA -0.232 54.731 54.840 0.204 0.000 0.880 141 L CB 0.925 43.121 42.059 0.229 0.000 1.142 141 L HN 0.290 nan 8.230 nan 0.000 0.473 142 Q N 4.192 124.036 119.800 0.073 0.000 2.309 142 Q HA 0.432 4.773 4.340 0.002 0.000 0.264 142 Q C -1.354 174.632 176.000 -0.022 0.000 1.008 142 Q CA -0.389 55.424 55.803 0.017 0.000 0.853 142 Q CB 2.123 30.844 28.738 -0.029 0.000 1.314 142 Q HN 0.720 nan 8.270 nan 0.000 0.448 143 T N 1.178 115.713 114.554 -0.032 0.000 2.923 143 T HA 0.643 4.994 4.350 0.002 0.000 0.311 143 T C -1.499 173.107 174.700 -0.155 0.000 1.183 143 T CA -0.216 61.838 62.100 -0.077 0.000 1.020 143 T CB 1.228 70.083 68.868 -0.021 0.000 1.165 143 T HN 0.704 nan 8.240 nan 0.000 0.482 144 S N 3.520 119.107 115.700 -0.188 0.000 2.595 144 S HA 0.902 5.373 4.470 0.002 0.000 0.281 144 S C -1.208 173.153 174.600 -0.399 0.000 1.117 144 S CA -0.895 57.153 58.200 -0.253 0.000 0.873 144 S CB 1.381 64.461 63.200 -0.200 0.000 1.108 144 S HN 1.089 nan 8.310 nan 0.000 0.477 145 L N -0.995 119.933 121.223 -0.491 0.000 2.434 145 L HA 0.981 5.322 4.340 0.002 0.000 0.260 145 L C -0.883 175.721 176.870 -0.443 0.000 0.983 145 L CA -0.708 53.676 54.840 -0.761 0.000 0.820 145 L CB 1.999 43.167 42.059 -1.485 0.000 1.361 145 L HN 0.627 nan 8.230 nan 0.000 0.410 146 S N 0.596 116.054 115.700 -0.403 0.000 2.549 146 S HA 0.919 5.390 4.470 0.002 0.000 0.280 146 S C -0.593 173.877 174.600 -0.217 0.000 1.109 146 S CA -0.427 57.652 58.200 -0.201 0.000 0.905 146 S CB 1.993 65.140 63.200 -0.089 0.000 1.081 146 S HN 1.030 nan 8.310 nan 0.000 0.477 147 A N 1.682 124.464 122.820 -0.062 0.000 2.337 147 A HA 0.875 5.196 4.320 0.002 0.000 0.331 147 A C 0.371 177.998 177.584 0.072 0.000 1.137 147 A CA -0.629 51.405 52.037 -0.004 0.000 0.807 147 A CB 0.793 19.907 19.000 0.190 0.000 1.250 147 A HN 0.799 nan 8.150 nan 0.000 0.468 148 T N -1.579 113.024 114.554 0.082 0.000 2.864 148 T HA 0.424 4.775 4.350 0.002 0.000 0.276 148 T C 1.280 176.077 174.700 0.162 0.000 1.006 148 T CA 0.363 62.524 62.100 0.100 0.000 0.970 148 T CB 0.487 69.394 68.868 0.065 0.000 1.420 148 T HN 0.389 nan 8.240 nan 0.000 0.601 149 S N 0.123 115.912 115.700 0.148 0.000 2.370 149 S HA -0.052 4.419 4.470 0.002 0.000 0.226 149 S C 1.835 176.556 174.600 0.203 0.000 1.033 149 S CA 1.159 59.459 58.200 0.167 0.000 1.011 149 S CB -0.347 62.937 63.200 0.140 0.000 0.852 149 S HN 0.633 nan 8.310 nan 0.000 0.457 150 R N -0.440 120.180 120.500 0.199 0.000 2.509 150 R HA 0.307 4.648 4.340 0.002 0.000 0.297 150 R C 0.703 177.173 176.300 0.284 0.000 0.951 150 R CA 0.117 56.352 56.100 0.225 0.000 1.103 150 R CB 1.152 31.559 30.300 0.178 0.000 1.283 150 R HN 0.311 nan 8.270 nan 0.000 0.534 151 G N 0.089 109.036 108.800 0.246 0.000 3.015 151 G HA2 0.793 4.754 3.960 0.002 0.000 0.281 151 G HA3 0.793 4.754 3.960 0.002 0.000 0.281 151 G C -1.626 173.323 174.900 0.082 0.000 1.386 151 G CA -0.342 44.893 45.100 0.224 0.000 0.959 151 G HN 0.132 nan 8.290 nan 0.000 0.522 152 A N -1.543 121.200 122.820 -0.128 0.000 2.606 152 A HA 0.789 5.110 4.320 0.002 0.000 0.293 152 A C -1.656 175.743 177.584 -0.307 0.000 1.082 152 A CA -0.482 51.282 52.037 -0.455 0.000 0.685 152 A CB 1.796 19.979 19.000 -1.361 0.000 1.284 152 A HN 1.404 nan 8.150 nan 0.000 0.408 153 V N 0.830 120.548 119.914 -0.327 0.000 2.709 153 V HA 0.582 4.703 4.120 0.002 0.000 0.308 153 V C -1.126 174.824 176.094 -0.239 0.000 1.062 153 V CA -0.306 61.892 62.300 -0.170 0.000 0.901 153 V CB 1.523 33.264 31.823 -0.136 0.000 1.003 153 V HN 0.757 nan 8.190 nan 0.000 0.425 154 F N 2.319 122.114 119.950 -0.258 0.000 2.470 154 F HA 0.617 5.144 4.527 0.001 0.000 0.329 154 F C 0.518 176.210 175.800 -0.180 0.000 1.072 154 F CA -0.594 57.258 58.000 -0.247 0.000 0.989 154 F CB 1.769 40.617 39.000 -0.253 0.000 1.193 154 F HN 0.606 nan 8.300 nan 0.000 0.481 155 E N 0.666 120.865 120.200 -0.002 0.000 2.212 155 E HA 0.726 5.077 4.350 0.002 0.000 0.268 155 E C -1.843 174.719 176.600 -0.063 0.000 0.902 155 E CA -0.906 55.475 56.400 -0.031 0.000 0.779 155 E CB 2.387 32.053 29.700 -0.057 0.000 1.172 155 E HN 0.332 nan 8.360 nan 0.000 0.409 156 V N 2.020 121.857 119.914 -0.130 0.000 2.577 156 V HA 0.312 4.433 4.120 0.002 0.000 0.303 156 V C -0.688 175.213 176.094 -0.322 0.000 1.042 156 V CA -0.877 61.253 62.300 -0.284 0.000 0.872 156 V CB 1.964 33.483 31.823 -0.507 0.000 0.998 156 V HN 0.762 nan 8.190 nan 0.000 0.423 157 S N 4.943 120.484 115.700 -0.264 0.000 2.461 157 S HA 0.644 5.115 4.470 0.002 0.000 0.322 157 S C -0.562 173.941 174.600 -0.161 0.000 1.063 157 S CA -0.312 57.795 58.200 -0.154 0.000 1.120 157 S CB 0.192 63.356 63.200 -0.061 0.000 0.968 157 S HN 0.444 nan 8.310 nan 0.000 0.467 158 F N 4.137 124.093 119.950 0.009 0.000 2.399 158 F HA 0.378 4.905 4.527 0.001 0.000 0.342 158 F C -1.714 174.102 175.800 0.027 0.000 1.106 158 F CA -2.084 55.931 58.000 0.025 0.000 1.196 158 F CB 0.184 39.184 39.000 0.001 0.000 1.163 158 F HN 0.303 nan 8.300 nan 0.000 0.547 159 P HA 0.189 nan 4.420 nan 0.000 0.271 159 P C -0.396 176.975 177.300 0.119 0.000 1.216 159 P CA -0.132 63.054 63.100 0.144 0.000 0.776 159 P CB 0.100 31.877 31.700 0.129 0.000 0.881 160 E N 1.396 121.644 120.200 0.080 0.000 2.415 160 E HA 0.345 4.696 4.350 0.002 0.000 0.262 160 E C 1.135 177.756 176.600 0.036 0.000 1.038 160 E CA 0.242 56.673 56.400 0.052 0.000 0.921 160 E CB -0.850 28.873 29.700 0.039 0.000 0.950 160 E HN 0.661 nan 8.360 nan 0.000 0.438 161 K N 0.508 120.916 120.400 0.013 0.000 3.209 161 K HA -0.133 4.188 4.320 0.002 0.000 0.289 161 K C 0.074 176.673 176.600 -0.001 0.000 1.191 161 K CA 1.849 58.137 56.287 0.001 0.000 0.851 161 K CB -2.322 30.182 32.500 0.007 0.000 1.242 161 K HN 0.741 nan 8.250 nan 0.000 0.480 162 E N 0.904 121.103 120.200 -0.002 0.000 2.277 162 E HA 0.437 4.788 4.350 0.002 0.000 0.266 162 E C -0.841 175.717 176.600 -0.069 0.000 0.901 162 E CA -1.041 55.358 56.400 -0.002 0.000 0.782 162 E CB 1.251 30.980 29.700 0.049 0.000 1.228 162 E HN 0.393 nan 8.360 nan 0.000 0.424 163 D N 1.608 121.956 120.400 -0.087 0.000 2.449 163 D HA 0.006 4.647 4.640 0.002 0.000 0.236 163 D C -0.200 175.878 176.300 -0.371 0.000 1.149 163 D CA 0.677 54.523 54.000 -0.257 0.000 0.878 163 D CB 0.554 41.237 40.800 -0.195 0.000 1.198 163 D HN 0.174 nan 8.370 nan 0.000 0.446 164 Q N 1.265 120.646 119.800 -0.698 0.000 2.327 164 Q HA 0.426 4.767 4.340 0.002 0.000 0.270 164 Q C -1.090 174.493 176.000 -0.695 0.000 1.022 164 Q CA -0.615 54.648 55.803 -0.900 0.000 0.773 164 Q CB 1.424 29.313 28.738 -1.414 0.000 1.251 164 Q HN 0.396 nan 8.270 nan 0.000 0.457 165 Y N 0.000 120.336 120.300 0.059 0.000 2.570 165 Y HA 0.655 5.207 4.550 0.002 0.000 0.345 165 Y C -0.281 175.880 175.900 0.435 0.000 1.014 165 Y CA -1.128 57.101 58.100 0.215 0.000 1.063 165 Y CB 1.767 40.290 38.460 0.105 0.000 1.272 165 Y HN 0.249 nan 8.280 nan 0.000 0.477 166 V N 2.504 122.779 119.914 0.602 0.000 2.588 166 V HA 0.517 4.638 4.120 0.002 0.000 0.304 166 V C -0.886 175.425 176.094 0.361 0.000 1.042 166 V CA -0.910 61.681 62.300 0.483 0.000 0.877 166 V CB 1.857 34.021 31.823 0.568 0.000 0.996 166 V HN 0.531 nan 8.190 nan 0.000 0.425 167 V N 5.123 125.204 119.914 0.279 0.000 2.435 167 V HA 0.509 4.630 4.120 0.002 0.000 0.290 167 V C -0.207 176.025 176.094 0.231 0.000 1.030 167 V CA -0.564 61.866 62.300 0.216 0.000 0.881 167 V CB 2.008 33.904 31.823 0.120 0.000 0.983 167 V HN 0.611 nan 8.190 nan 0.000 0.445 168 V N 3.800 123.852 119.914 0.230 0.000 2.398 168 V HA 0.456 4.577 4.120 0.002 0.000 0.286 168 V C -0.463 175.755 176.094 0.207 0.000 1.026 168 V CA -0.445 62.003 62.300 0.247 0.000 0.868 168 V CB 1.810 33.798 31.823 0.276 0.000 0.982 168 V HN 0.910 nan 8.190 nan 0.000 0.443 169 D N 3.973 124.512 120.400 0.231 0.000 2.471 169 D HA 0.512 5.153 4.640 0.002 0.000 0.245 169 D C 0.323 176.806 176.300 0.305 0.000 1.116 169 D CA -0.427 53.717 54.000 0.241 0.000 0.853 169 D CB 2.201 43.156 40.800 0.257 0.000 1.123 169 D HN 0.562 nan 8.370 nan 0.000 0.540 170 A N 4.103 127.106 122.820 0.304 0.000 2.379 170 A HA 0.265 4.586 4.320 0.002 0.000 0.236 170 A C 0.286 178.153 177.584 0.472 0.000 1.272 170 A CA -0.145 52.109 52.037 0.361 0.000 0.886 170 A CB -0.666 18.566 19.000 0.387 0.000 0.962 170 A HN 0.721 nan 8.150 nan 0.000 0.504 171 Y N -0.817 119.668 120.300 0.309 0.000 2.498 171 Y HA -0.314 4.237 4.550 0.002 0.000 0.185 171 Y C 0.496 176.608 175.900 0.354 0.000 1.692 171 Y CA 0.585 58.822 58.100 0.228 0.000 1.425 171 Y CB -0.346 38.131 38.460 0.029 0.000 2.071 171 Y HN 0.675 nan 8.280 nan 0.000 0.253 172 N N 0.682 119.522 118.700 0.233 0.000 2.643 172 N HA 0.576 5.317 4.740 0.002 0.000 0.305 172 N C 0.829 176.566 175.510 0.379 0.000 1.283 172 N CA -0.032 53.175 53.050 0.262 0.000 0.946 172 N CB 1.171 39.672 38.487 0.023 0.000 1.149 172 N HN 1.632 nan 8.380 nan 0.000 0.600 173 G N -3.176 105.795 108.800 0.286 0.000 2.141 173 G HA2 0.206 4.167 3.960 0.002 0.000 0.231 173 G HA3 0.206 4.167 3.960 0.002 0.000 0.231 173 G C 0.547 175.573 174.900 0.210 0.000 0.984 173 G CA 0.424 45.679 45.100 0.259 0.000 0.660 173 G HN 1.810 nan 8.290 nan 0.000 0.525 174 G N -1.299 107.619 108.800 0.197 0.000 2.858 174 G HA2 0.446 4.407 3.960 0.002 0.000 0.272 174 G HA3 0.446 4.407 3.960 0.002 0.000 0.272 174 G C 0.095 175.084 174.900 0.148 0.000 1.003 174 G CA 0.777 45.966 45.100 0.149 0.000 1.241 174 G HN 2.249 nan 8.290 nan 0.000 0.569 175 S N -0.488 115.306 115.700 0.156 0.000 2.715 175 S HA 0.960 5.431 4.470 0.002 0.000 0.307 175 S C 0.042 174.698 174.600 0.093 0.000 1.119 175 S CA 0.091 58.380 58.200 0.148 0.000 0.937 175 S CB 2.608 65.949 63.200 0.236 0.000 1.150 175 S HN 2.194 nan 8.310 nan 0.000 0.521 176 S N -0.390 115.348 115.700 0.064 0.000 2.537 176 S HA 0.768 5.239 4.470 0.002 0.000 0.270 176 S C -1.257 173.339 174.600 -0.006 0.000 1.142 176 S CA -0.916 57.295 58.200 0.018 0.000 0.870 176 S CB 0.640 63.830 63.200 -0.017 0.000 1.112 176 S HN 0.789 nan 8.310 nan 0.000 0.466 177 I N 1.754 122.323 120.570 -0.001 0.000 2.619 177 I HA 0.563 4.734 4.170 0.002 0.000 0.292 177 I C -0.714 175.383 176.117 -0.034 0.000 1.100 177 I CA -0.669 60.627 61.300 -0.006 0.000 1.043 177 I CB 2.843 40.899 38.000 0.093 0.000 1.239 177 I HN 0.927 nan 8.210 nan 0.000 0.420 178 T N 3.652 118.167 114.554 -0.065 0.000 2.848 178 T HA 0.747 5.098 4.350 0.002 0.000 0.285 178 T C -0.657 174.009 174.700 -0.057 0.000 0.995 178 T CA -0.622 61.440 62.100 -0.064 0.000 0.970 178 T CB 1.506 70.323 68.868 -0.085 0.000 0.976 178 T HN 0.330 nan 8.240 nan 0.000 0.441 179 I N 2.183 122.709 120.570 -0.073 0.000 2.412 179 I HA 0.405 4.576 4.170 0.002 0.000 0.296 179 I C 0.144 176.168 176.117 -0.155 0.000 0.987 179 I CA -0.830 60.407 61.300 -0.106 0.000 1.180 179 I CB 1.889 39.788 38.000 -0.168 0.000 1.340 179 I HN 0.716 nan 8.210 nan 0.000 0.455 180 E N 7.173 127.289 120.200 -0.140 0.000 2.683 180 E HA 0.196 4.547 4.350 0.002 0.000 0.224 180 E C -1.931 174.562 176.600 -0.177 0.000 1.046 180 E CA -1.558 54.751 56.400 -0.152 0.000 0.811 180 E CB 1.181 30.825 29.700 -0.093 0.000 1.296 180 E HN 0.398 nan 8.360 nan 0.000 0.421 181 P HA -0.262 nan 4.420 nan 0.000 0.215 181 P C 1.350 178.555 177.300 -0.158 0.000 1.153 181 P CA 1.363 64.250 63.100 -0.355 0.000 0.853 181 P CB 0.317 31.546 31.700 -0.785 0.000 0.788 182 E N 1.508 121.629 120.200 -0.131 0.000 2.204 182 E HA -0.184 4.167 4.350 0.002 0.000 0.195 182 E C 1.342 177.928 176.600 -0.022 0.000 0.990 182 E CA 1.321 57.689 56.400 -0.053 0.000 0.821 182 E CB -0.766 28.908 29.700 -0.043 0.000 0.750 182 E HN 0.301 nan 8.360 nan 0.000 0.477 183 K N 0.388 120.770 120.400 -0.029 0.000 2.404 183 K HA 0.194 4.515 4.320 0.002 0.000 0.194 183 K C 0.107 176.734 176.600 0.045 0.000 1.023 183 K CA -0.059 56.228 56.287 -0.001 0.000 1.094 183 K CB 0.354 32.841 32.500 -0.022 0.000 0.841 183 K HN 0.022 nan 8.250 nan 0.000 0.523 184 R N 0.710 121.248 120.500 0.063 0.000 3.651 184 R HA -0.160 4.181 4.340 0.002 0.000 0.292 184 R C -0.686 175.775 176.300 0.269 0.000 1.161 184 R CA 0.441 56.653 56.100 0.187 0.000 0.787 184 R CB -2.140 28.306 30.300 0.243 0.000 1.249 184 R HN 0.172 nan 8.270 nan 0.000 0.476 185 L N 0.118 121.425 121.223 0.140 0.000 2.334 185 L HA 0.705 5.046 4.340 0.002 0.000 0.273 185 L C 0.099 177.049 176.870 0.133 0.000 1.013 185 L CA -1.194 53.714 54.840 0.113 0.000 0.816 185 L CB 2.228 44.276 42.059 -0.019 0.000 1.278 185 L HN -0.217 nan 8.230 nan 0.000 0.431 186 V N 2.414 122.434 119.914 0.176 0.000 2.588 186 V HA 0.486 4.607 4.120 0.002 0.000 0.304 186 V C -0.446 175.681 176.094 0.054 0.000 1.042 186 V CA -0.782 61.608 62.300 0.150 0.000 0.877 186 V CB 2.213 34.224 31.823 0.314 0.000 0.996 186 V HN 0.696 nan 8.190 nan 0.000 0.425 187 K N 2.026 122.383 120.400 -0.071 0.000 2.400 187 K HA 0.929 5.250 4.320 0.002 0.000 0.246 187 K C -0.164 176.115 176.600 -0.535 0.000 0.995 187 K CA -0.697 55.425 56.287 -0.275 0.000 0.840 187 K CB 2.713 35.073 32.500 -0.233 0.000 1.293 187 K HN 0.940 nan 8.250 nan 0.000 0.445 188 G N -0.419 107.673 108.800 -1.180 0.000 2.495 188 G HA2 0.614 4.575 3.960 0.002 0.000 0.294 188 G HA3 0.614 4.575 3.960 0.002 0.000 0.294 188 G C -2.019 172.178 174.900 -1.171 0.000 1.397 188 G CA -0.623 43.758 45.100 -1.197 0.000 0.790 188 G HN 0.600 nan 8.290 nan 0.000 0.486 189 A N -0.514 121.995 122.820 -0.518 0.000 2.398 189 A HA 0.857 5.178 4.320 0.002 0.000 0.301 189 A C -0.416 177.169 177.584 0.002 0.000 1.041 189 A CA -0.035 51.824 52.037 -0.298 0.000 0.711 189 A CB 1.981 20.836 19.000 -0.242 0.000 1.240 189 A HN 1.512 nan 8.150 nan 0.000 0.420 190 T N 0.835 115.431 114.554 0.069 0.000 2.829 190 T HA 0.566 4.917 4.350 0.002 0.000 0.280 190 T C 0.465 175.211 174.700 0.076 0.000 0.999 190 T CA -0.476 61.738 62.100 0.189 0.000 0.983 190 T CB 0.658 69.713 68.868 0.311 0.000 0.968 190 T HN 0.645 nan 8.240 nan 0.000 0.446 191 R N 2.432 123.053 120.500 0.202 0.000 2.509 191 R HA 0.135 4.476 4.340 0.002 0.000 0.297 191 R C -0.320 176.264 176.300 0.473 0.000 0.951 191 R CA -0.465 55.797 56.100 0.271 0.000 1.103 191 R CB 0.332 30.738 30.300 0.177 0.000 1.283 191 R HN 0.699 nan 8.270 nan 0.000 0.534 192 Y N 3.295 123.784 120.300 0.315 0.000 2.811 192 Y HA -0.150 4.401 4.550 0.002 0.000 0.334 192 Y C 0.044 176.108 175.900 0.274 0.000 1.247 192 Y CA 0.321 58.584 58.100 0.272 0.000 1.526 192 Y CB 0.246 38.863 38.460 0.262 0.000 1.284 192 Y HN 0.272 nan 8.280 nan 0.000 0.586 193 N N 1.710 120.059 118.700 -0.585 0.000 3.116 193 N HA 0.286 5.027 4.740 0.002 0.000 0.244 193 N C -1.801 173.353 175.510 -0.593 0.000 1.485 193 N CA -1.023 51.743 53.050 -0.474 0.000 0.884 193 N CB 0.786 39.053 38.487 -0.367 0.000 1.415 193 N HN 0.520 nan 8.380 nan 0.000 0.524 194 N N -0.601 117.884 118.700 -0.358 0.000 2.416 194 N HA 0.341 5.082 4.740 0.002 0.000 0.267 194 N C -0.244 175.145 175.510 -0.201 0.000 1.294 194 N CA 0.460 53.357 53.050 -0.254 0.000 0.891 194 N CB 0.789 39.179 38.487 -0.161 0.000 1.238 194 N HN 0.921 nan 8.380 nan 0.000 0.508 195 G N -0.305 108.356 108.800 -0.233 0.000 2.631 195 G HA2 0.018 3.979 3.960 0.002 0.000 0.504 195 G HA3 0.018 3.979 3.960 0.002 0.000 0.504 195 G C 0.408 175.144 174.900 -0.272 0.000 1.306 195 G CA -0.169 44.808 45.100 -0.205 0.000 0.897 195 G HN 0.471 nan 8.290 nan 0.000 0.520 196 G N -2.504 106.158 108.800 -0.229 0.000 2.198 196 G HA2 0.261 4.222 3.960 0.002 0.000 0.260 196 G HA3 0.261 4.222 3.960 0.002 0.000 0.260 196 G C 0.900 175.561 174.900 -0.398 0.000 1.025 196 G CA 1.616 46.547 45.100 -0.283 0.000 0.769 196 G HN 2.475 nan 8.290 nan 0.000 0.507 197 V N -3.467 116.247 119.914 -0.333 0.000 2.823 197 V HA 0.932 5.053 4.120 0.002 0.000 0.312 197 V C -1.792 174.256 176.094 -0.076 0.000 1.072 197 V CA -2.602 59.509 62.300 -0.314 0.000 0.937 197 V CB 1.897 33.359 31.823 -0.602 0.000 1.013 197 V HN 0.070 nan 8.190 nan 0.000 0.430 198 P HA 0.344 nan 4.420 nan 0.000 0.273 198 P C -0.014 177.405 177.300 0.199 0.000 1.250 198 P CA -0.202 62.979 63.100 0.136 0.000 0.793 198 P CB 0.505 32.315 31.700 0.184 0.000 1.011 199 D N -0.076 120.422 120.400 0.163 0.000 2.310 199 D HA -0.112 4.529 4.640 0.002 0.000 0.212 199 D C 0.915 177.332 176.300 0.194 0.000 0.965 199 D CA 1.080 55.172 54.000 0.153 0.000 0.879 199 D CB -0.415 40.453 40.800 0.113 0.000 0.921 199 D HN 0.437 nan 8.370 nan 0.000 0.510 200 N N -0.006 118.846 118.700 0.254 0.000 2.251 200 N HA -0.055 4.686 4.740 0.002 0.000 0.217 200 N C 0.003 175.665 175.510 0.253 0.000 1.124 200 N CA -0.543 52.651 53.050 0.240 0.000 0.843 200 N CB -0.863 37.770 38.487 0.243 0.000 1.024 200 N HN 0.002 nan 8.380 nan 0.000 0.501 201 F N 2.244 122.292 119.950 0.162 0.000 2.572 201 F HA 0.408 4.937 4.527 0.002 0.000 0.370 201 F C 0.073 175.852 175.800 -0.034 0.000 1.103 201 F CA -0.353 57.699 58.000 0.086 0.000 1.286 201 F CB 0.369 39.451 39.000 0.137 0.000 1.105 201 F HN 0.274 nan 8.300 nan 0.000 0.583 202 A N 4.671 126.735 122.820 -1.260 0.000 2.599 202 A HA 0.433 4.754 4.320 0.002 0.000 0.294 202 A C -1.736 175.065 177.584 -1.305 0.000 1.055 202 A CA -0.960 50.306 52.037 -1.286 0.000 0.683 202 A CB 1.030 19.395 19.000 -1.059 0.000 1.278 202 A HN 0.815 nan 8.150 nan 0.000 0.412 203 N N 0.288 118.417 118.700 -0.951 0.000 2.424 203 N HA 0.613 5.354 4.740 0.002 0.000 0.271 203 N C -1.706 173.443 175.510 -0.601 0.000 0.985 203 N CA -0.139 52.463 53.050 -0.746 0.000 0.921 203 N CB 0.439 38.654 38.487 -0.452 0.000 1.149 203 N HN 0.455 nan 8.380 nan 0.000 0.492 204 Y N 3.955 124.095 120.300 -0.266 0.000 2.341 204 Y HA 0.357 4.908 4.550 0.002 0.000 0.340 204 Y C -0.338 175.467 175.900 -0.159 0.000 0.997 204 Y CA -0.815 57.133 58.100 -0.253 0.000 1.149 204 Y CB 0.336 38.656 38.460 -0.233 0.000 1.171 204 Y HN 0.369 nan 8.280 nan 0.000 0.494 205 F N 2.022 121.901 119.950 -0.118 0.000 2.579 205 F HA 0.928 5.456 4.527 0.001 0.000 0.324 205 F C -0.736 174.982 175.800 -0.136 0.000 1.058 205 F CA -1.922 55.978 58.000 -0.167 0.000 0.944 205 F CB 1.742 40.406 39.000 -0.561 0.000 1.245 205 F HN 0.385 nan 8.300 nan 0.000 0.477 206 M N 3.385 123.099 119.600 0.191 0.000 2.520 206 M HA 0.768 5.249 4.480 0.002 0.000 0.283 206 M C -1.698 174.702 176.300 0.166 0.000 1.237 206 M CA -0.821 54.521 55.300 0.070 0.000 0.885 206 M CB 3.056 35.587 32.600 -0.115 0.000 1.727 206 M HN 0.977 nan 8.290 nan 0.000 0.468 207 M N -0.070 119.577 119.600 0.078 0.000 2.569 207 M HA 0.725 5.206 4.480 0.002 0.000 0.279 207 M C -1.954 174.311 176.300 -0.058 0.000 1.253 207 M CA -0.478 54.861 55.300 0.063 0.000 0.867 207 M CB 2.728 35.344 32.600 0.027 0.000 1.727 207 M HN 0.924 nan 8.290 nan 0.000 0.467 208 E N 1.465 121.617 120.200 -0.081 0.000 2.293 208 E HA 0.663 5.014 4.350 0.002 0.000 0.270 208 E C -2.174 174.316 176.600 -0.184 0.000 0.879 208 E CA -0.603 55.789 56.400 -0.012 0.000 0.756 208 E CB 2.301 32.094 29.700 0.156 0.000 1.208 208 E HN 0.668 nan 8.360 nan 0.000 0.428 209 F N 1.407 121.458 119.950 0.169 0.000 2.480 209 F HA 0.189 4.717 4.527 0.001 0.000 0.329 209 F C 1.564 177.451 175.800 0.146 0.000 1.091 209 F CA -0.533 57.565 58.000 0.163 0.000 0.972 209 F CB 2.088 41.259 39.000 0.286 0.000 1.150 209 F HN 0.564 nan 8.300 nan 0.000 0.467 210 S N -0.321 115.542 115.700 0.272 0.000 2.461 210 S HA 0.016 4.487 4.470 0.002 0.000 0.228 210 S C 0.152 174.797 174.600 0.074 0.000 1.005 210 S CA 0.680 58.976 58.200 0.159 0.000 0.942 210 S CB -0.547 62.743 63.200 0.151 0.000 0.776 210 S HN 0.649 nan 8.310 nan 0.000 0.514 211 H N 1.316 120.500 119.070 0.191 0.000 2.670 211 H HA 0.598 5.156 4.556 0.003 0.000 0.361 211 H C -2.870 172.652 175.328 0.324 0.000 1.169 211 H CA -1.826 54.347 56.048 0.209 0.000 1.198 211 H CB 0.839 30.699 29.762 0.164 0.000 1.700 211 H HN 0.040 nan 8.280 nan 0.000 0.542 212 P HA -0.033 nan 4.420 nan 0.000 0.265 212 P C -0.685 176.738 177.300 0.205 0.000 1.193 212 P CA 0.016 63.249 63.100 0.222 0.000 0.765 212 P CB 0.471 32.258 31.700 0.145 0.000 0.823 213 V N 5.763 125.703 119.914 0.044 0.000 2.372 213 V HA 0.012 4.133 4.120 0.002 0.000 0.261 213 V C 1.583 177.627 176.094 -0.084 0.000 1.055 213 V CA 0.100 62.276 62.300 -0.207 0.000 0.930 213 V CB 0.167 31.855 31.823 -0.225 0.000 1.031 213 V HN 0.485 nan 8.190 nan 0.000 0.479 214 I N 2.987 123.467 120.570 -0.150 0.000 2.333 214 I HA 0.122 4.293 4.170 0.002 0.000 0.246 214 I C 1.061 177.132 176.117 -0.077 0.000 1.106 214 I CA 1.075 62.333 61.300 -0.071 0.000 1.411 214 I CB -0.381 37.557 38.000 -0.103 0.000 1.082 214 I HN 0.617 nan 8.210 nan 0.000 0.420 215 E N -0.715 119.394 120.200 -0.152 0.000 2.416 215 E HA 0.595 4.946 4.350 0.002 0.000 0.273 215 E C -1.580 174.834 176.600 -0.310 0.000 0.935 215 E CA -0.619 55.581 56.400 -0.332 0.000 0.784 215 E CB 2.771 32.350 29.700 -0.202 0.000 1.301 215 E HN 0.107 nan 8.360 nan 0.000 0.454 216 Y N -1.894 118.138 120.300 -0.447 0.000 2.677 216 Y HA 0.796 5.347 4.550 0.002 0.000 0.334 216 Y C -0.316 174.992 175.900 -0.986 0.000 1.196 216 Y CA -1.035 56.547 58.100 -0.862 0.000 1.059 216 Y CB 1.368 39.530 38.460 -0.496 0.000 1.315 216 Y HN 0.703 nan 8.280 nan 0.000 0.455 217 G N -0.216 108.003 108.800 -0.969 0.000 2.451 217 G HA2 0.569 4.530 3.960 0.002 0.000 0.292 217 G HA3 0.569 4.530 3.960 0.002 0.000 0.292 217 G C -1.498 173.288 174.900 -0.190 0.000 1.427 217 G CA -0.377 44.473 45.100 -0.418 0.000 0.792 217 G HN 1.186 nan 8.290 nan 0.000 0.498 218 T N -2.544 111.990 114.554 -0.033 0.000 2.926 218 T HA 0.766 5.117 4.350 0.002 0.000 0.289 218 T C -1.367 173.392 174.700 0.097 0.000 1.054 218 T CA -0.855 61.264 62.100 0.031 0.000 1.015 218 T CB 2.367 71.242 68.868 0.012 0.000 1.167 218 T HN 1.411 nan 8.240 nan 0.000 0.526 219 Y N 1.700 121.960 120.300 -0.066 0.000 2.470 219 Y HA 0.496 5.047 4.550 0.002 0.000 0.341 219 Y C -0.446 175.384 175.900 -0.117 0.000 1.021 219 Y CA -1.064 56.980 58.100 -0.094 0.000 1.025 219 Y CB 1.815 40.206 38.460 -0.116 0.000 1.266 219 Y HN 0.794 nan 8.280 nan 0.000 0.448 220 N N 2.626 120.983 118.700 -0.573 0.000 2.282 220 N HA 0.302 5.043 4.740 0.002 0.000 0.240 220 N C 0.898 176.080 175.510 -0.547 0.000 1.182 220 N CA 0.218 53.015 53.050 -0.421 0.000 0.874 220 N CB 0.917 39.273 38.487 -0.218 0.000 1.126 220 N HN 1.165 nan 8.380 nan 0.000 0.516 221 G N -0.042 108.045 108.800 -1.188 0.000 2.195 221 G HA2 -0.337 3.624 3.960 0.002 0.000 0.246 221 G HA3 -0.337 3.624 3.960 0.002 0.000 0.246 221 G C 0.352 175.002 174.900 -0.417 0.000 0.984 221 G CA 0.516 45.257 45.100 -0.598 0.000 0.633 221 G HN 0.539 nan 8.290 nan 0.000 0.525 222 D N -1.272 118.820 120.400 -0.514 0.000 2.559 222 D HA 0.255 4.896 4.640 0.002 0.000 0.296 222 D C 0.695 176.937 176.300 -0.097 0.000 1.118 222 D CA 1.340 55.234 54.000 -0.177 0.000 0.967 222 D CB 0.815 41.550 40.800 -0.109 0.000 1.607 222 D HN 0.277 nan 8.370 nan 0.000 0.493 223 T N 0.941 115.395 114.554 -0.167 0.000 2.841 223 T HA 0.460 4.811 4.350 0.002 0.000 0.283 223 T C -1.132 173.603 174.700 0.057 0.000 1.000 223 T CA -0.600 61.491 62.100 -0.016 0.000 0.977 223 T CB 2.053 70.905 68.868 -0.027 0.000 0.979 223 T HN 0.062 nan 8.240 nan 0.000 0.446 224 L N 4.100 125.407 121.223 0.140 0.000 2.281 224 L HA 0.532 4.873 4.340 0.002 0.000 0.285 224 L C -1.208 175.607 176.870 -0.091 0.000 1.074 224 L CA -0.325 54.555 54.840 0.067 0.000 0.817 224 L CB -0.109 41.926 42.059 -0.041 0.000 1.168 224 L HN 0.577 nan 8.230 nan 0.000 0.434 225 L N 6.241 127.413 121.223 -0.086 0.000 2.301 225 L HA 0.408 4.750 4.340 0.002 0.000 0.278 225 L C -0.041 176.788 176.870 -0.067 0.000 1.022 225 L CA -0.540 54.269 54.840 -0.051 0.000 0.854 225 L CB 0.390 42.452 42.059 0.004 0.000 1.226 225 L HN 0.531 nan 8.230 nan 0.000 0.429 226 H N 2.824 121.962 119.070 0.114 0.000 2.815 226 H HA 0.065 4.622 4.556 0.001 0.000 0.350 226 H C 0.493 175.856 175.328 0.059 0.000 1.080 226 H CA 0.492 56.571 56.048 0.051 0.000 1.433 226 H CB 0.687 30.476 29.762 0.045 0.000 1.432 226 H HN 0.681 nan 8.280 nan 0.000 0.592 227 H N -1.621 117.424 119.070 -0.041 0.000 4.158 227 H HA -0.188 4.369 4.556 0.001 0.000 0.150 227 H C 0.120 175.535 175.328 0.146 0.000 0.823 227 H CA 1.295 57.311 56.048 -0.053 0.000 1.252 227 H CB -0.681 29.069 29.762 -0.021 0.000 0.889 227 H HN 0.599 nan 8.280 nan 0.000 0.437 228 Q N 0.550 120.454 119.800 0.174 0.000 2.340 228 Q HA 0.277 4.618 4.340 0.002 0.000 0.249 228 Q C 1.047 177.109 176.000 0.104 0.000 0.957 228 Q CA 0.978 56.855 55.803 0.123 0.000 0.882 228 Q CB 1.188 29.964 28.738 0.064 0.000 1.235 228 Q HN 0.545 nan 8.270 nan 0.000 0.439 229 T N -2.917 111.671 114.554 0.055 0.000 3.043 229 T HA 0.156 4.507 4.350 0.002 0.000 0.272 229 T C -0.404 174.281 174.700 -0.025 0.000 0.990 229 T CA -0.314 61.780 62.100 -0.009 0.000 0.897 229 T CB 0.379 69.207 68.868 -0.067 0.000 1.111 229 T HN 0.433 nan 8.240 nan 0.000 0.529 230 D N 0.655 121.050 120.400 -0.009 0.000 2.788 230 D HA 0.569 5.210 4.640 0.002 0.000 0.247 230 D C -1.595 174.700 176.300 -0.009 0.000 1.236 230 D CA -0.465 53.525 54.000 -0.017 0.000 0.898 230 D CB 2.297 43.086 40.800 -0.020 0.000 1.401 230 D HN 0.097 nan 8.370 nan 0.000 0.549 231 V N 2.197 122.105 119.914 -0.010 0.000 2.841 231 V HA 0.953 5.074 4.120 0.002 0.000 0.310 231 V C -1.592 174.500 176.094 -0.004 0.000 1.090 231 V CA -0.337 61.959 62.300 -0.008 0.000 0.930 231 V CB 1.717 33.535 31.823 -0.009 0.000 1.014 231 V HN 0.792 nan 8.190 nan 0.000 0.425 232 A N 4.542 127.360 122.820 -0.003 0.000 2.437 232 A HA 1.060 5.381 4.320 0.002 0.000 0.293 232 A C -0.513 177.078 177.584 0.011 0.000 1.038 232 A CA 0.203 52.246 52.037 0.011 0.000 0.708 232 A CB 1.630 20.636 19.000 0.010 0.000 1.251 232 A HN 2.385 nan 8.150 nan 0.000 0.409 233 A N 1.333 124.171 122.820 0.029 0.000 2.467 233 A HA 0.654 4.975 4.320 0.002 0.000 0.301 233 A C 0.441 178.074 177.584 0.081 0.000 1.126 233 A CA 0.428 52.485 52.037 0.034 0.000 0.632 233 A CB -0.125 18.872 19.000 -0.005 0.000 1.331 233 A HN 0.906 nan 8.150 nan 0.000 0.482 234 D N -1.069 119.387 120.400 0.093 0.000 2.103 234 D HA -0.154 4.487 4.640 0.002 0.000 0.190 234 D C 0.277 176.716 176.300 0.231 0.000 0.997 234 D CA 2.538 56.623 54.000 0.141 0.000 0.833 234 D CB -0.062 40.811 40.800 0.121 0.000 0.961 234 D HN 0.431 nan 8.370 nan 0.000 0.447 235 Y N 0.106 120.435 120.300 0.048 0.000 2.350 235 Y HA 0.480 5.031 4.550 0.002 0.000 0.338 235 Y C -0.938 174.999 175.900 0.061 0.000 0.961 235 Y CA -1.139 57.003 58.100 0.070 0.000 1.100 235 Y CB 1.339 39.837 38.460 0.064 0.000 1.179 235 Y HN -0.026 nan 8.280 nan 0.000 0.454 236 T N 2.856 117.362 114.554 -0.081 0.000 2.900 236 T HA 0.829 5.180 4.350 0.002 0.000 0.295 236 T C -0.964 173.646 174.700 -0.150 0.000 1.044 236 T CA -0.592 61.421 62.100 -0.145 0.000 0.995 236 T CB 0.867 69.742 68.868 0.011 0.000 1.072 236 T HN 0.672 nan 8.240 nan 0.000 0.473 237 C N 1.205 120.477 119.300 -0.048 0.000 3.154 237 C HA 1.047 5.508 4.460 0.002 0.000 0.312 237 C C -0.062 174.987 174.990 0.098 0.000 1.349 237 C CA -0.639 58.404 59.018 0.041 0.000 1.518 237 C CB 1.373 29.110 27.740 -0.005 0.000 1.934 237 C HN 1.371 nan 8.230 nan 0.000 0.462 238 A N 0.365 123.254 122.820 0.115 0.000 2.539 238 A HA 0.900 5.221 4.320 0.002 0.000 0.296 238 A C -1.533 176.136 177.584 0.140 0.000 1.073 238 A CA -0.431 51.662 52.037 0.094 0.000 0.700 238 A CB 1.153 20.196 19.000 0.071 0.000 1.296 238 A HN 1.383 nan 8.150 nan 0.000 0.405 239 Y N -0.273 120.044 120.300 0.028 0.000 2.524 239 Y HA 0.866 5.417 4.550 0.002 0.000 0.344 239 Y C -1.579 174.329 175.900 0.013 0.000 1.012 239 Y CA -1.696 56.421 58.100 0.029 0.000 1.068 239 Y CB 1.224 39.672 38.460 -0.020 0.000 1.249 239 Y HN 0.465 nan 8.280 nan 0.000 0.468 240 L N 3.704 124.977 121.223 0.083 0.000 2.408 240 L HA 0.548 4.889 4.340 0.002 0.000 0.268 240 L C -0.630 176.122 176.870 -0.196 0.000 0.986 240 L CA -0.779 53.904 54.840 -0.261 0.000 0.820 240 L CB 2.295 43.994 42.059 -0.599 0.000 1.303 240 L HN 0.747 nan 8.230 nan 0.000 0.411 241 K N 2.013 122.184 120.400 -0.382 0.000 2.221 241 K HA 0.734 5.055 4.320 0.002 0.000 0.258 241 K C -1.457 174.676 176.600 -0.779 0.000 0.944 241 K CA -0.410 55.612 56.287 -0.441 0.000 0.823 241 K CB 1.106 33.484 32.500 -0.203 0.000 1.113 241 K HN 0.331 nan 8.250 nan 0.000 0.431 242 F N 0.723 120.487 119.950 -0.310 0.000 2.639 242 F HA 0.297 4.824 4.527 0.001 0.000 0.339 242 F C 0.215 175.848 175.800 -0.278 0.000 1.071 242 F CA -0.700 57.153 58.000 -0.245 0.000 0.994 242 F CB 1.438 40.303 39.000 -0.224 0.000 1.341 242 F HN 0.484 nan 8.300 nan 0.000 0.498 243 D N 0.618 121.046 120.400 0.047 0.000 2.997 243 D HA 0.219 4.860 4.640 0.002 0.000 0.362 243 D C -1.225 175.077 176.300 0.002 0.000 1.298 243 D CA 0.030 54.012 54.000 -0.030 0.000 0.756 243 D CB 0.408 41.200 40.800 -0.013 0.000 1.216 243 D HN 0.126 nan 8.370 nan 0.000 0.496 244 V N 2.557 122.432 119.914 -0.065 0.000 2.540 244 V HA 0.188 4.309 4.120 0.002 0.000 0.297 244 V C -1.647 174.423 176.094 -0.040 0.000 1.024 244 V CA -0.710 61.503 62.300 -0.145 0.000 1.105 244 V CB 0.383 32.061 31.823 -0.242 0.000 0.938 244 V HN 0.320 nan 8.190 nan 0.000 0.482 245 P HA 0.275 nan 4.420 nan 0.000 0.272 245 P C -0.240 177.079 177.300 0.031 0.000 1.223 245 P CA -0.283 62.838 63.100 0.036 0.000 0.784 245 P CB 0.498 32.238 31.700 0.067 0.000 0.923 246 A N 1.973 124.811 122.820 0.031 0.000 2.587 246 A HA 0.363 4.684 4.320 0.002 0.000 0.233 246 A C 1.584 179.190 177.584 0.036 0.000 1.049 246 A CA 0.985 53.042 52.037 0.034 0.000 0.754 246 A CB -1.499 17.518 19.000 0.029 0.000 0.977 246 A HN 0.913 nan 8.150 nan 0.000 0.509 247 G N 1.298 110.119 108.800 0.035 0.000 2.253 247 G HA2 -0.208 3.753 3.960 0.002 0.000 0.251 247 G HA3 -0.208 3.753 3.960 0.002 0.000 0.251 247 G C 0.111 175.033 174.900 0.038 0.000 0.998 247 G CA 0.621 45.741 45.100 0.033 0.000 0.621 247 G HN 0.899 nan 8.290 nan 0.000 0.524 248 E N 0.215 120.441 120.200 0.043 0.000 2.232 248 E HA 0.663 5.014 4.350 0.002 0.000 0.265 248 E C -0.210 176.398 176.600 0.013 0.000 1.001 248 E CA -0.649 55.783 56.400 0.053 0.000 0.870 248 E CB 1.206 30.970 29.700 0.107 0.000 1.175 248 E HN 0.267 nan 8.360 nan 0.000 0.407 249 K N 1.004 121.417 120.400 0.023 0.000 2.375 249 K HA 0.376 4.697 4.320 0.002 0.000 0.249 249 K C -1.107 175.483 176.600 -0.017 0.000 0.942 249 K CA -1.004 55.274 56.287 -0.015 0.000 0.806 249 K CB 1.793 34.287 32.500 -0.010 0.000 1.227 249 K HN 0.204 nan 8.250 nan 0.000 0.430 250 L N 1.407 122.588 121.223 -0.070 0.000 2.331 250 L HA 0.262 4.603 4.340 0.002 0.000 0.278 250 L C -0.655 176.226 176.870 0.020 0.000 1.106 250 L CA 0.688 55.509 54.840 -0.032 0.000 0.824 250 L CB 1.274 43.271 42.059 -0.103 0.000 1.142 250 L HN 0.541 nan 8.230 nan 0.000 0.443 251 T N 6.473 121.078 114.554 0.085 0.000 2.824 251 T HA 0.610 4.961 4.350 0.002 0.000 0.280 251 T C -0.226 174.478 174.700 0.007 0.000 0.995 251 T CA -0.155 61.971 62.100 0.043 0.000 1.009 251 T CB 0.736 69.631 68.868 0.046 0.000 0.955 251 T HN 0.425 nan 8.240 nan 0.000 0.452 252 I N 3.196 123.744 120.570 -0.036 0.000 2.436 252 I HA 0.482 4.653 4.170 0.002 0.000 0.289 252 I C 0.074 176.144 176.117 -0.078 0.000 1.010 252 I CA -0.895 60.280 61.300 -0.207 0.000 1.098 252 I CB 1.785 39.567 38.000 -0.362 0.000 1.266 252 I HN 0.323 nan 8.210 nan 0.000 0.434 253 R N 3.314 123.775 120.500 -0.065 0.000 2.562 253 R HA 0.734 5.075 4.340 0.002 0.000 0.298 253 R C -0.651 175.774 176.300 0.208 0.000 0.961 253 R CA -0.649 55.471 56.100 0.032 0.000 0.881 253 R CB 2.467 32.773 30.300 0.010 0.000 1.159 253 R HN 0.551 nan 8.270 nan 0.000 0.450 254 T N 0.534 115.200 114.554 0.187 0.000 2.923 254 T HA 0.774 5.125 4.350 0.002 0.000 0.311 254 T C -1.741 173.199 174.700 0.400 0.000 1.183 254 T CA -0.410 61.912 62.100 0.371 0.000 1.020 254 T CB 1.704 70.794 68.868 0.371 0.000 1.165 254 T HN 0.726 nan 8.240 nan 0.000 0.482 255 A N 1.971 125.098 122.820 0.513 0.000 2.609 255 A HA 0.932 5.253 4.320 0.002 0.000 0.291 255 A C -0.570 177.259 177.584 0.409 0.000 1.096 255 A CA -0.310 51.986 52.037 0.432 0.000 0.684 255 A CB 1.461 20.674 19.000 0.355 0.000 1.282 255 A HN 1.523 nan 8.150 nan 0.000 0.412 256 S N -0.398 115.496 115.700 0.324 0.000 2.651 256 S HA 0.911 5.382 4.470 0.002 0.000 0.279 256 S C -0.554 174.089 174.600 0.071 0.000 1.148 256 S CA -0.037 58.292 58.200 0.216 0.000 0.837 256 S CB 1.602 64.951 63.200 0.249 0.000 1.138 256 S HN 2.095 nan 8.310 nan 0.000 0.478 257 S N -0.643 115.034 115.700 -0.039 0.000 2.556 257 S HA 0.675 5.146 4.470 0.002 0.000 0.271 257 S C -1.090 173.375 174.600 -0.226 0.000 1.135 257 S CA -0.673 57.488 58.200 -0.065 0.000 0.858 257 S CB 0.845 64.075 63.200 0.049 0.000 1.114 257 S HN 0.605 nan 8.310 nan 0.000 0.468 258 F N 2.150 122.079 119.950 -0.035 0.000 2.765 258 F HA 0.428 4.956 4.527 0.002 0.000 0.302 258 F C 1.420 177.178 175.800 -0.071 0.000 1.111 258 F CA 0.082 57.995 58.000 -0.146 0.000 1.359 258 F CB 0.015 38.872 39.000 -0.240 0.000 1.097 258 F HN 0.457 nan 8.300 nan 0.000 0.577 259 I N -1.339 119.342 120.570 0.185 0.000 2.512 259 I HA 0.010 4.181 4.170 0.002 0.000 0.247 259 I C 0.732 176.835 176.117 -0.022 0.000 1.094 259 I CA 0.670 62.056 61.300 0.143 0.000 1.427 259 I CB 0.057 38.129 38.000 0.118 0.000 1.149 259 I HN 0.076 nan 8.210 nan 0.000 0.438 260 S N -1.757 113.828 115.700 -0.191 0.000 2.611 260 S HA 0.289 4.760 4.470 0.002 0.000 0.270 260 S C -2.553 171.727 174.600 -0.533 0.000 1.131 260 S CA -0.965 56.840 58.200 -0.659 0.000 0.826 260 S CB 1.155 64.144 63.200 -0.351 0.000 1.095 260 S HN -0.274 nan 8.310 nan 0.000 0.461 261 P HA -0.011 nan 4.420 nan 0.000 0.217 261 P C 0.975 178.174 177.300 -0.168 0.000 1.150 261 P CA 1.429 64.356 63.100 -0.288 0.000 0.832 261 P CB -0.007 31.526 31.700 -0.278 0.000 0.787 262 E N -0.586 119.513 120.200 -0.168 0.000 2.085 262 E HA -0.230 4.121 4.350 0.002 0.000 0.194 262 E C 2.109 178.683 176.600 -0.043 0.000 0.994 262 E CA 1.194 57.539 56.400 -0.092 0.000 0.801 262 E CB -0.858 28.790 29.700 -0.086 0.000 0.743 262 E HN 0.193 nan 8.360 nan 0.000 0.453 263 Q N 0.229 120.001 119.800 -0.046 0.000 2.172 263 Q HA 0.034 4.375 4.340 0.002 0.000 0.200 263 Q C 1.910 177.939 176.000 0.049 0.000 0.964 263 Q CA 1.533 57.345 55.803 0.015 0.000 0.855 263 Q CB -0.375 28.376 28.738 0.022 0.000 0.918 263 Q HN 0.253 nan 8.270 nan 0.000 0.444 264 A N 0.167 123.005 122.820 0.029 0.000 1.933 264 A HA -0.052 4.269 4.320 0.002 0.000 0.218 264 A C 2.240 179.893 177.584 0.114 0.000 1.175 264 A CA 1.770 53.856 52.037 0.080 0.000 0.628 264 A CB -1.000 18.038 19.000 0.063 0.000 0.814 264 A HN 0.502 nan 8.150 nan 0.000 0.444 265 A N -0.231 122.621 122.820 0.054 0.000 1.929 265 A HA 0.029 4.350 4.320 0.002 0.000 0.216 265 A C 2.077 179.748 177.584 0.146 0.000 1.176 265 A CA 1.257 53.332 52.037 0.064 0.000 0.628 265 A CB -0.518 18.469 19.000 -0.021 0.000 0.816 265 A HN 0.477 nan 8.150 nan 0.000 0.444 266 I N 0.332 120.969 120.570 0.112 0.000 2.179 266 I HA -0.290 3.881 4.170 0.002 0.000 0.242 266 I C 2.130 178.345 176.117 0.164 0.000 1.088 266 I CA 1.291 62.667 61.300 0.126 0.000 1.357 266 I CB -0.480 37.583 38.000 0.104 0.000 1.051 266 I HN 0.291 nan 8.210 nan 0.000 0.409 267 N N 0.888 119.693 118.700 0.174 0.000 2.069 267 N HA -0.244 4.497 4.740 0.002 0.000 0.191 267 N C 1.783 177.412 175.510 0.198 0.000 1.031 267 N CA 1.489 54.650 53.050 0.185 0.000 0.852 267 N CB -0.748 37.848 38.487 0.182 0.000 1.018 267 N HN 0.320 nan 8.380 nan 0.000 0.423 268 F N 2.087 122.087 119.950 0.084 0.000 2.095 268 F HA -0.148 4.379 4.527 0.000 0.000 0.298 268 F C 1.956 177.790 175.800 0.057 0.000 1.104 268 F CA 1.352 59.396 58.000 0.073 0.000 1.232 268 F CB -0.166 38.871 39.000 0.063 0.000 0.987 268 F HN 0.001 nan 8.300 nan 0.000 0.475 269 N N 0.277 119.173 118.700 0.327 0.000 2.244 269 N HA -0.154 4.587 4.740 0.002 0.000 0.183 269 N C 2.004 177.554 175.510 0.067 0.000 1.016 269 N CA 1.045 54.217 53.050 0.202 0.000 0.866 269 N CB -0.465 38.144 38.487 0.204 0.000 0.980 269 N HN 0.379 nan 8.380 nan 0.000 0.430 270 R N 1.045 121.590 120.500 0.075 0.000 2.093 270 R HA 0.015 4.356 4.340 0.002 0.000 0.224 270 R C 1.275 177.580 176.300 0.008 0.000 1.101 270 R CA 1.131 57.260 56.100 0.048 0.000 0.979 270 R CB 0.266 30.615 30.300 0.081 0.000 0.877 270 R HN 0.273 nan 8.270 nan 0.000 0.441 271 E N -0.961 119.231 120.200 -0.014 0.000 2.290 271 E HA -0.032 4.319 4.350 0.002 0.000 0.197 271 E C 1.383 177.913 176.600 -0.117 0.000 0.948 271 E CA 0.854 57.235 56.400 -0.031 0.000 0.895 271 E CB 1.066 30.780 29.700 0.024 0.000 0.865 271 E HN 0.289 nan 8.360 nan 0.000 0.486 272 V N -2.761 116.994 119.914 -0.265 0.000 3.426 272 V HA 0.466 4.587 4.120 0.002 0.000 0.279 272 V C 0.762 176.562 176.094 -0.490 0.000 1.544 272 V CA -0.219 61.861 62.300 -0.368 0.000 1.017 272 V CB 0.248 31.823 31.823 -0.412 0.000 0.821 272 V HN 0.048 nan 8.190 nan 0.000 0.432 273 A N 1.607 124.092 122.820 -0.558 0.000 2.567 273 A HA 0.325 4.646 4.320 0.002 0.000 0.240 273 A C 1.052 178.555 177.584 -0.136 0.000 1.053 273 A CA 1.093 52.925 52.037 -0.341 0.000 0.755 273 A CB -0.552 18.423 19.000 -0.042 0.000 0.978 273 A HN 0.756 nan 8.150 nan 0.000 0.507 274 D N -1.335 119.031 120.400 -0.056 0.000 2.946 274 D HA -0.202 4.439 4.640 0.002 0.000 0.202 274 D C 0.465 176.739 176.300 -0.042 0.000 1.068 274 D CA 1.790 55.778 54.000 -0.021 0.000 1.011 274 D CB -1.807 38.989 40.800 -0.008 0.000 1.105 274 D HN 1.177 nan 8.370 nan 0.000 0.425 275 A N 0.785 123.557 122.820 -0.081 0.000 2.302 275 A HA 0.500 4.821 4.320 0.002 0.000 0.285 275 A C 0.384 177.935 177.584 -0.055 0.000 1.105 275 A CA 0.032 52.027 52.037 -0.070 0.000 0.816 275 A CB 0.898 19.841 19.000 -0.094 0.000 1.067 275 A HN 0.168 nan 8.150 nan 0.000 0.489 276 D N -0.154 120.221 120.400 -0.042 0.000 2.442 276 D HA 0.274 4.915 4.640 0.002 0.000 0.254 276 D C 0.762 177.032 176.300 -0.051 0.000 1.069 276 D CA -0.377 53.601 54.000 -0.036 0.000 1.017 276 D CB 0.767 41.555 40.800 -0.019 0.000 1.172 276 D HN 0.220 nan 8.370 nan 0.000 0.561 277 V N 0.016 119.896 119.914 -0.055 0.000 2.490 277 V HA -0.264 3.857 4.120 0.002 0.000 0.250 277 V C 1.941 178.004 176.094 -0.052 0.000 1.061 277 V CA 2.045 64.299 62.300 -0.077 0.000 1.064 277 V CB -0.622 31.140 31.823 -0.100 0.000 0.670 277 V HN 0.457 nan 8.190 nan 0.000 0.461 278 Q N -0.413 119.364 119.800 -0.037 0.000 2.084 278 Q HA -0.186 4.155 4.340 0.002 0.000 0.202 278 Q C 1.936 177.922 176.000 -0.024 0.000 0.978 278 Q CA 2.123 57.911 55.803 -0.025 0.000 0.844 278 Q CB -0.609 28.115 28.738 -0.024 0.000 0.898 278 Q HN 0.615 nan 8.270 nan 0.000 0.426 279 L N -0.188 121.017 121.223 -0.030 0.000 2.017 279 L HA -0.143 4.198 4.340 0.002 0.000 0.208 279 L C 1.698 178.553 176.870 -0.025 0.000 1.073 279 L CA 1.531 56.353 54.840 -0.029 0.000 0.745 279 L CB -0.428 41.611 42.059 -0.034 0.000 0.894 279 L HN 0.203 nan 8.230 nan 0.000 0.432 280 I N -1.019 119.531 120.570 -0.033 0.000 2.252 280 I HA -0.230 3.941 4.170 0.002 0.000 0.245 280 I C 2.731 178.859 176.117 0.018 0.000 1.102 280 I CA 1.589 62.875 61.300 -0.023 0.000 1.385 280 I CB -1.797 36.166 38.000 -0.060 0.000 1.064 280 I HN 0.376 nan 8.210 nan 0.000 0.414 281 S N 1.167 116.882 115.700 0.026 0.000 2.353 281 S HA -0.159 4.312 4.470 0.002 0.000 0.222 281 S C 2.241 176.870 174.600 0.048 0.000 1.035 281 S CA 1.881 60.145 58.200 0.107 0.000 1.025 281 S CB -0.780 62.489 63.200 0.114 0.000 0.902 281 S HN 0.511 nan 8.310 nan 0.000 0.440 282 G N 1.115 109.905 108.800 -0.016 0.000 2.440 282 G HA2 -0.215 3.746 3.960 0.002 0.000 0.218 282 G HA3 -0.215 3.746 3.960 0.002 0.000 0.218 282 G C 1.550 176.426 174.900 -0.040 0.000 1.154 282 G CA 0.959 46.020 45.100 -0.065 0.000 0.767 282 G HN 0.580 nan 8.290 nan 0.000 0.552 283 K N 0.516 120.913 120.400 -0.005 0.000 2.057 283 K HA 0.060 4.381 4.320 0.002 0.000 0.207 283 K C 2.947 179.577 176.600 0.049 0.000 1.049 283 K CA 1.010 57.305 56.287 0.013 0.000 0.931 283 K CB -0.218 32.290 32.500 0.014 0.000 0.714 283 K HN 0.273 nan 8.250 nan 0.000 0.440 284 A N 1.588 124.467 122.820 0.097 0.000 1.930 284 A HA -0.159 4.162 4.320 0.002 0.000 0.217 284 A C 2.105 179.857 177.584 0.279 0.000 1.175 284 A CA 1.181 53.340 52.037 0.204 0.000 0.627 284 A CB -0.410 18.772 19.000 0.304 0.000 0.815 284 A HN 0.199 nan 8.150 nan 0.000 0.443 285 R N -0.168 120.388 120.500 0.093 0.000 2.081 285 R HA -0.184 4.157 4.340 0.002 0.000 0.235 285 R C 2.187 178.498 176.300 0.018 0.000 1.131 285 R CA 1.838 57.876 56.100 -0.104 0.000 0.960 285 R CB -0.293 29.697 30.300 -0.516 0.000 0.856 285 R HN 0.728 nan 8.270 nan 0.000 0.436 286 E N -0.177 120.021 120.200 -0.003 0.000 2.077 286 E HA -0.222 4.129 4.350 0.002 0.000 0.193 286 E C 1.978 178.615 176.600 0.062 0.000 0.989 286 E CA 1.130 57.537 56.400 0.011 0.000 0.800 286 E CB 0.143 29.837 29.700 -0.011 0.000 0.746 286 E HN 0.318 nan 8.360 nan 0.000 0.452 287 Q N -0.269 119.576 119.800 0.075 0.000 2.061 287 Q HA -0.193 4.148 4.340 0.002 0.000 0.204 287 Q C 1.909 177.986 176.000 0.128 0.000 0.984 287 Q CA 1.607 57.459 55.803 0.083 0.000 0.846 287 Q CB -0.640 28.101 28.738 0.003 0.000 0.902 287 Q HN 0.498 nan 8.270 nan 0.000 0.421 288 W N 1.560 122.970 121.300 0.184 0.000 2.358 288 W HA -0.141 4.520 4.660 0.001 0.000 0.303 288 W C 2.083 178.718 176.519 0.194 0.000 1.208 288 W CA 0.774 58.236 57.345 0.196 0.000 1.274 288 W CB -0.351 29.203 29.460 0.158 0.000 1.138 288 W HN 0.211 nan 8.180 nan 0.000 0.515 289 N N 0.250 119.147 118.700 0.329 0.000 2.166 289 N HA -0.169 4.572 4.740 0.002 0.000 0.186 289 N C 1.247 176.892 175.510 0.224 0.000 1.019 289 N CA 1.410 54.602 53.050 0.238 0.000 0.856 289 N CB -0.809 37.731 38.487 0.088 0.000 0.993 289 N HN 0.184 nan 8.380 nan 0.000 0.426 290 N N 0.326 119.104 118.700 0.130 0.000 2.058 290 N HA -0.129 4.612 4.740 0.002 0.000 0.191 290 N C 1.714 177.247 175.510 0.039 0.000 1.037 290 N CA 1.104 54.159 53.050 0.009 0.000 0.848 290 N CB -0.642 37.753 38.487 -0.153 0.000 1.021 290 N HN 0.375 nan 8.380 nan 0.000 0.422 291 Y N 1.020 121.453 120.300 0.222 0.000 2.220 291 Y HA 0.099 4.649 4.550 0.001 0.000 0.291 291 Y C 2.288 178.450 175.900 0.437 0.000 1.129 291 Y CA 0.541 58.842 58.100 0.335 0.000 1.161 291 Y CB -0.469 38.068 38.460 0.129 0.000 0.997 291 Y HN -0.029 nan 8.280 nan 0.000 0.522 292 L N -1.065 120.482 121.223 0.540 0.000 2.083 292 L HA -0.157 4.184 4.340 0.002 0.000 0.209 292 L C 2.478 179.585 176.870 0.395 0.000 1.083 292 L CA 1.344 56.483 54.840 0.500 0.000 0.752 292 L CB -1.002 41.341 42.059 0.473 0.000 0.899 292 L HN 0.298 nan 8.230 nan 0.000 0.433 293 G N -0.553 108.496 108.800 0.415 0.000 2.776 293 G HA2 -0.141 3.820 3.960 0.002 0.000 0.209 293 G HA3 -0.141 3.820 3.960 0.002 0.000 0.209 293 G C 1.612 176.731 174.900 0.365 0.000 1.145 293 G CA -0.108 45.265 45.100 0.456 0.000 0.791 293 G HN 0.298 nan 8.290 nan 0.000 0.530 294 R N -0.768 119.919 120.500 0.311 0.000 2.237 294 R HA 0.051 4.392 4.340 0.002 0.000 0.219 294 R C 0.278 176.696 176.300 0.197 0.000 1.080 294 R CA 0.321 56.571 56.100 0.250 0.000 0.995 294 R CB 0.022 30.375 30.300 0.089 0.000 0.875 294 R HN 0.276 nan 8.270 nan 0.000 0.462 295 V N 1.761 121.788 119.914 0.187 0.000 2.407 295 V HA 0.202 4.323 4.120 0.002 0.000 0.291 295 V C -1.145 174.972 176.094 0.038 0.000 1.018 295 V CA -0.686 61.675 62.300 0.103 0.000 0.842 295 V CB 1.732 33.630 31.823 0.124 0.000 0.996 295 V HN 0.082 nan 8.190 nan 0.000 0.426 296 E N 5.802 126.003 120.200 0.002 0.000 2.081 296 E HA 0.627 4.978 4.350 0.002 0.000 0.276 296 E C -0.244 176.278 176.600 -0.131 0.000 0.950 296 E CA -0.427 55.987 56.400 0.023 0.000 0.776 296 E CB 1.837 31.701 29.700 0.273 0.000 1.094 296 E HN 0.866 nan 8.360 nan 0.000 0.402 297 A N 4.259 126.887 122.820 -0.319 0.000 2.301 297 A HA 0.396 4.717 4.320 0.002 0.000 0.298 297 A C -0.249 177.080 177.584 -0.425 0.000 1.185 297 A CA -0.406 51.174 52.037 -0.761 0.000 0.830 297 A CB 0.625 18.500 19.000 -1.876 0.000 1.112 297 A HN 0.627 nan 8.150 nan 0.000 0.508 298 E N 0.598 120.607 120.200 -0.318 0.000 2.340 298 E HA 0.564 4.915 4.350 0.002 0.000 0.273 298 E C -0.098 176.512 176.600 0.017 0.000 0.891 298 E CA -0.456 55.896 56.400 -0.080 0.000 0.757 298 E CB 1.965 31.663 29.700 -0.003 0.000 1.231 298 E HN 1.521 nan 8.360 nan 0.000 0.439 299 G N 1.194 110.041 108.800 0.078 0.000 2.470 299 G HA2 0.065 4.026 3.960 0.002 0.000 0.286 299 G HA3 0.065 4.026 3.960 0.002 0.000 0.286 299 G C -0.058 174.969 174.900 0.211 0.000 1.115 299 G CA -0.154 45.014 45.100 0.113 0.000 1.122 299 G HN 0.798 nan 8.290 nan 0.000 0.522 300 G N -0.852 108.088 108.800 0.233 0.000 2.660 300 G HA2 0.978 4.939 3.960 0.002 0.000 0.290 300 G HA3 0.978 4.939 3.960 0.002 0.000 0.290 300 G C 0.008 174.996 174.900 0.146 0.000 1.432 300 G CA 0.672 45.917 45.100 0.243 0.000 0.807 300 G HN 1.537 nan 8.290 nan 0.000 0.485 301 T N -1.433 113.174 114.554 0.087 0.000 2.813 301 T HA 0.254 4.605 4.350 0.002 0.000 0.297 301 T C 0.638 175.402 174.700 0.106 0.000 1.036 301 T CA 0.134 62.281 62.100 0.079 0.000 1.044 301 T CB 1.228 70.124 68.868 0.046 0.000 0.993 301 T HN 0.256 nan 8.240 nan 0.000 0.535 302 D N 0.313 120.784 120.400 0.119 0.000 2.149 302 D HA -0.115 4.526 4.640 0.002 0.000 0.198 302 D C 1.887 178.273 176.300 0.144 0.000 0.990 302 D CA 1.523 55.624 54.000 0.169 0.000 0.839 302 D CB -0.261 40.660 40.800 0.201 0.000 0.948 302 D HN 0.863 nan 8.370 nan 0.000 0.460 303 E N 1.030 121.294 120.200 0.107 0.000 2.077 303 E HA -0.184 4.167 4.350 0.002 0.000 0.193 303 E C 1.958 178.615 176.600 0.094 0.000 0.989 303 E CA 1.308 57.761 56.400 0.089 0.000 0.800 303 E CB -0.152 29.583 29.700 0.058 0.000 0.746 303 E HN 0.309 nan 8.360 nan 0.000 0.452 304 Q N -0.186 119.670 119.800 0.093 0.000 2.084 304 Q HA -0.115 4.226 4.340 0.002 0.000 0.202 304 Q C 2.427 178.594 176.000 0.279 0.000 0.978 304 Q CA 1.616 57.493 55.803 0.123 0.000 0.844 304 Q CB -0.178 28.541 28.738 -0.031 0.000 0.898 304 Q HN 0.340 nan 8.270 nan 0.000 0.426 305 L N 0.156 121.503 121.223 0.206 0.000 2.046 305 L HA -0.203 4.138 4.340 0.002 0.000 0.208 305 L C 2.514 179.463 176.870 0.132 0.000 1.077 305 L CA 1.253 56.111 54.840 0.031 0.000 0.747 305 L CB -0.365 41.325 42.059 -0.615 0.000 0.896 305 L HN 0.162 nan 8.230 nan 0.000 0.432 306 R N -0.699 119.900 120.500 0.164 0.000 2.081 306 R HA -0.130 4.211 4.340 0.002 0.000 0.235 306 R C 2.290 178.680 176.300 0.150 0.000 1.131 306 R CA 1.887 58.137 56.100 0.249 0.000 0.960 306 R CB -0.697 29.729 30.300 0.210 0.000 0.856 306 R HN 0.363 nan 8.270 nan 0.000 0.436 307 T N 1.023 115.627 114.554 0.084 0.000 2.708 307 T HA -0.158 4.193 4.350 0.002 0.000 0.266 307 T C 1.419 176.061 174.700 -0.098 0.000 1.037 307 T CA 1.327 63.365 62.100 -0.104 0.000 1.146 307 T CB -0.372 68.376 68.868 -0.201 0.000 0.865 307 T HN 0.161 nan 8.240 nan 0.000 0.435 308 F N 0.995 120.953 119.950 0.014 0.000 2.069 308 F HA -0.150 4.378 4.527 0.002 0.000 0.298 308 F C 2.003 177.715 175.800 -0.148 0.000 1.113 308 F CA 1.233 59.258 58.000 0.041 0.000 1.214 308 F CB -0.502 38.506 39.000 0.012 0.000 0.978 308 F HN 0.136 nan 8.300 nan 0.000 0.474 309 Y N -0.064 120.317 120.300 0.136 0.000 2.314 309 Y HA -0.105 4.446 4.550 0.002 0.000 0.293 309 Y C 2.744 178.666 175.900 0.037 0.000 1.129 309 Y CA 1.268 59.396 58.100 0.046 0.000 1.201 309 Y CB -1.061 37.535 38.460 0.225 0.000 0.999 309 Y HN 0.013 nan 8.280 nan 0.000 0.541 310 S N -0.972 114.819 115.700 0.152 0.000 2.356 310 S HA -0.212 4.259 4.470 0.002 0.000 0.223 310 S C 2.230 176.918 174.600 0.148 0.000 1.032 310 S CA 1.459 59.731 58.200 0.120 0.000 1.005 310 S CB -0.836 62.391 63.200 0.044 0.000 0.867 310 S HN 0.532 nan 8.310 nan 0.000 0.449 311 C N 1.050 120.357 119.300 0.011 0.000 2.425 311 C HA 0.009 4.470 4.460 0.002 0.000 0.277 311 C C 2.514 177.511 174.990 0.013 0.000 1.280 311 C CA 0.429 59.474 59.018 0.045 0.000 1.744 311 C CB -1.339 26.388 27.740 -0.022 0.000 1.989 311 C HN 0.512 nan 8.230 nan 0.000 0.491 312 L N 0.462 121.622 121.223 -0.106 0.000 2.056 312 L HA -0.107 4.234 4.340 0.002 0.000 0.207 312 L C 2.378 179.306 176.870 0.098 0.000 1.078 312 L CA 1.968 56.762 54.840 -0.077 0.000 0.749 312 L CB -1.347 40.593 42.059 -0.199 0.000 0.901 312 L HN 0.547 nan 8.230 nan 0.000 0.433 313 Y N 0.475 120.788 120.300 0.022 0.000 2.114 313 Y HA -0.324 4.227 4.550 0.001 0.000 0.282 313 Y C 2.802 178.692 175.900 -0.017 0.000 1.165 313 Y CA 2.381 60.461 58.100 -0.033 0.000 1.148 313 Y CB -0.483 37.797 38.460 -0.299 0.000 0.972 313 Y HN 0.211 nan 8.280 nan 0.000 0.504 314 R N -0.372 119.966 120.500 -0.271 0.000 2.096 314 R HA -0.131 4.210 4.340 0.002 0.000 0.235 314 R C 1.891 178.124 176.300 -0.112 0.000 1.127 314 R CA 1.935 57.842 56.100 -0.321 0.000 0.968 314 R CB -0.388 29.913 30.300 0.002 0.000 0.861 314 R HN 0.423 nan 8.270 nan 0.000 0.440 315 T N 0.863 115.407 114.554 -0.017 0.000 2.951 315 T HA 0.013 4.364 4.350 0.002 0.000 0.268 315 T C 1.367 176.135 174.700 0.113 0.000 1.073 315 T CA 0.682 62.819 62.100 0.062 0.000 1.134 315 T CB 0.097 68.992 68.868 0.045 0.000 0.884 315 T HN 0.208 nan 8.240 nan 0.000 0.479 316 L N 0.553 121.717 121.223 -0.099 0.000 2.612 316 L HA 0.276 4.617 4.340 0.002 0.000 0.230 316 L C 1.726 178.081 176.870 -0.857 0.000 1.140 316 L CA 0.145 54.652 54.840 -0.556 0.000 0.896 316 L CB -0.387 41.215 42.059 -0.761 0.000 1.065 316 L HN 0.262 nan 8.230 nan 0.000 0.447 317 L N -1.039 119.964 121.223 -0.366 0.000 2.102 317 L HA 0.072 4.413 4.340 0.002 0.000 0.202 317 L C 0.318 177.094 176.870 -0.157 0.000 1.076 317 L CA 1.022 55.645 54.840 -0.362 0.000 0.761 317 L CB 0.043 41.803 42.059 -0.498 0.000 0.921 317 L HN 0.057 nan 8.230 nan 0.000 0.444 318 F N -0.652 119.469 119.950 0.286 0.000 2.561 318 F HA 0.460 4.989 4.527 0.002 0.000 0.321 318 F C -2.122 174.013 175.800 0.558 0.000 1.065 318 F CA -2.700 55.556 58.000 0.425 0.000 0.934 318 F CB 0.816 40.008 39.000 0.319 0.000 1.215 318 F HN -0.282 nan 8.300 nan 0.000 0.471 319 P HA 0.154 nan 4.420 nan 0.000 0.274 319 P C -1.107 176.619 177.300 0.710 0.000 1.237 319 P CA -0.534 62.997 63.100 0.717 0.000 0.793 319 P CB 0.867 32.950 31.700 0.639 0.000 0.977 320 R N 0.834 121.630 120.500 0.494 0.000 2.490 320 R HA 0.306 4.647 4.340 0.002 0.000 0.278 320 R C -0.268 176.121 176.300 0.149 0.000 1.069 320 R CA -0.588 55.692 56.100 0.300 0.000 1.080 320 R CB 0.335 30.674 30.300 0.065 0.000 1.030 320 R HN 0.382 nan 8.270 nan 0.000 0.491 321 E N 1.525 121.640 120.200 -0.141 0.000 2.414 321 E HA -0.085 4.266 4.350 0.002 0.000 0.263 321 E C -0.726 175.716 176.600 -0.263 0.000 1.000 321 E CA 0.265 56.257 56.400 -0.681 0.000 0.914 321 E CB 0.358 29.590 29.700 -0.780 0.000 0.948 321 E HN 0.535 nan 8.360 nan 0.000 0.444 322 F N 3.135 122.864 119.950 -0.368 0.000 2.735 322 F HA 0.171 4.700 4.527 0.002 0.000 0.308 322 F C -0.754 175.076 175.800 0.049 0.000 1.112 322 F CA -0.528 57.407 58.000 -0.108 0.000 1.235 322 F CB 0.400 39.357 39.000 -0.072 0.000 1.027 322 F HN 0.425 nan 8.300 nan 0.000 0.528 323 Y N -0.996 119.300 120.300 -0.006 0.000 2.568 323 Y HA 0.827 5.378 4.550 0.001 0.000 0.327 323 Y C -0.444 175.388 175.900 -0.114 0.000 1.163 323 Y CA -1.377 56.728 58.100 0.009 0.000 1.219 323 Y CB 0.667 39.141 38.460 0.023 0.000 1.308 323 Y HN 0.001 nan 8.280 nan 0.000 0.503 324 E N 0.291 120.492 120.200 0.001 0.000 2.446 324 E HA 0.441 4.792 4.350 0.002 0.000 0.276 324 E C -2.059 174.411 176.600 -0.216 0.000 0.969 324 E CA -0.961 55.387 56.400 -0.087 0.000 0.800 324 E CB 2.388 32.117 29.700 0.049 0.000 1.341 324 E HN 0.487 nan 8.360 nan 0.000 0.460 325 F N 2.099 122.162 119.950 0.189 0.000 2.402 325 F HA 0.176 4.704 4.527 0.002 0.000 0.355 325 F C 0.577 176.444 175.800 0.113 0.000 1.123 325 F CA -0.889 57.207 58.000 0.161 0.000 1.021 325 F CB 0.868 39.962 39.000 0.158 0.000 1.160 325 F HN 0.379 nan 8.300 nan 0.000 0.451 326 D N 0.392 120.934 120.400 0.236 0.000 2.356 326 D HA 0.009 4.650 4.640 0.002 0.000 0.258 326 D C 1.377 177.761 176.300 0.140 0.000 1.279 326 D CA 0.047 54.136 54.000 0.148 0.000 1.016 326 D CB 0.047 40.904 40.800 0.095 0.000 1.107 326 D HN 0.395 nan 8.370 nan 0.000 0.544 327 S N -1.573 114.182 115.700 0.092 0.000 2.442 327 S HA -0.212 4.259 4.470 0.002 0.000 0.236 327 S C 1.472 176.116 174.600 0.074 0.000 1.007 327 S CA 0.800 59.046 58.200 0.076 0.000 0.965 327 S CB -0.343 62.887 63.200 0.050 0.000 0.773 327 S HN 0.398 nan 8.310 nan 0.000 0.504 328 Q N 0.752 120.600 119.800 0.079 0.000 2.360 328 Q HA 0.379 4.720 4.340 0.002 0.000 0.202 328 Q C 1.370 177.425 176.000 0.092 0.000 0.915 328 Q CA 0.477 56.323 55.803 0.071 0.000 0.943 328 Q CB -0.099 28.674 28.738 0.059 0.000 1.064 328 Q HN 0.753 nan 8.270 nan 0.000 0.511 329 G N 0.371 109.250 108.800 0.133 0.000 2.143 329 G HA2 -0.246 3.715 3.960 0.002 0.000 0.249 329 G HA3 -0.246 3.715 3.960 0.002 0.000 0.249 329 G C -0.073 175.001 174.900 0.290 0.000 0.981 329 G CA 0.036 45.233 45.100 0.162 0.000 0.665 329 G HN 0.280 nan 8.290 nan 0.000 0.528 330 N N 1.461 120.322 118.700 0.268 0.000 2.473 330 N HA 0.488 5.229 4.740 0.002 0.000 0.291 330 N C -2.567 173.096 175.510 0.255 0.000 1.083 330 N CA -1.501 51.702 53.050 0.256 0.000 0.951 330 N CB 1.761 40.319 38.487 0.118 0.000 1.164 330 N HN 0.123 nan 8.380 nan 0.000 0.480 331 P HA 0.072 nan 4.420 nan 0.000 0.276 331 P C -0.484 176.755 177.300 -0.103 0.000 1.243 331 P CA -0.162 62.832 63.100 -0.177 0.000 0.768 331 P CB 0.706 32.168 31.700 -0.397 0.000 0.856 332 V N 2.051 121.955 119.914 -0.018 0.000 3.130 332 V HA 0.837 4.958 4.120 0.002 0.000 0.310 332 V C -1.222 174.993 176.094 0.202 0.000 1.158 332 V CA -1.269 61.052 62.300 0.036 0.000 1.029 332 V CB 1.920 33.748 31.823 0.008 0.000 1.057 332 V HN 0.610 nan 8.190 nan 0.000 0.436 333 Y N 0.214 120.599 120.300 0.143 0.000 2.544 333 Y HA 0.738 5.289 4.550 0.001 0.000 0.342 333 Y C -1.135 174.941 175.900 0.292 0.000 1.062 333 Y CA -1.696 56.534 58.100 0.216 0.000 1.023 333 Y CB 1.335 39.960 38.460 0.274 0.000 1.308 333 Y HN 0.880 nan 8.280 nan 0.000 0.457 334 Y N 2.610 123.101 120.300 0.317 0.000 2.496 334 Y HA 0.371 4.922 4.550 0.002 0.000 0.334 334 Y C 0.424 176.666 175.900 0.571 0.000 1.080 334 Y CA 0.142 58.445 58.100 0.338 0.000 1.355 334 Y CB 0.897 39.554 38.460 0.329 0.000 1.193 334 Y HN 0.806 nan 8.280 nan 0.000 0.523 335 S N 8.516 124.205 115.700 -0.017 0.000 2.474 335 S HA 0.262 4.733 4.470 0.002 0.000 0.276 335 S C -1.723 172.654 174.600 -0.372 0.000 1.227 335 S CA -1.449 56.812 58.200 0.101 0.000 1.050 335 S CB 0.630 63.965 63.200 0.225 0.000 0.939 335 S HN 0.686 nan 8.310 nan 0.000 0.490 336 P HA 0.089 nan 4.420 nan 0.000 0.253 336 P C -0.027 176.919 177.300 -0.589 0.000 1.260 336 P CA 0.365 63.205 63.100 -0.433 0.000 0.800 336 P CB -0.124 31.167 31.700 -0.682 0.000 1.162 337 Y N 1.281 121.486 120.300 -0.158 0.000 2.441 337 Y HA 0.041 4.592 4.550 0.002 0.000 0.288 337 Y C 1.870 177.750 175.900 -0.035 0.000 1.118 337 Y CA 1.180 59.214 58.100 -0.109 0.000 1.215 337 Y CB -0.203 38.187 38.460 -0.117 0.000 1.118 337 Y HN 0.046 nan 8.280 nan 0.000 0.547 338 D N -2.497 117.963 120.400 0.099 0.000 2.520 338 D HA 0.194 4.835 4.640 0.002 0.000 0.223 338 D C 1.693 178.012 176.300 0.032 0.000 1.186 338 D CA 0.601 54.655 54.000 0.091 0.000 0.821 338 D CB 0.228 41.111 40.800 0.139 0.000 1.072 338 D HN 0.235 nan 8.370 nan 0.000 0.518 339 G N 0.275 109.006 108.800 -0.115 0.000 2.189 339 G HA2 -0.332 3.629 3.960 0.002 0.000 0.267 339 G HA3 -0.332 3.629 3.960 0.002 0.000 0.267 339 G C -0.024 174.853 174.900 -0.038 0.000 0.975 339 G CA 0.373 45.379 45.100 -0.156 0.000 0.644 339 G HN 0.536 nan 8.290 nan 0.000 0.537 340 N N -1.110 117.568 118.700 -0.037 0.000 2.476 340 N HA 0.566 5.307 4.740 0.002 0.000 0.275 340 N C -0.037 175.402 175.510 -0.118 0.000 1.190 340 N CA -0.603 52.403 53.050 -0.074 0.000 0.977 340 N CB 1.733 40.106 38.487 -0.190 0.000 1.200 340 N HN 0.048 nan 8.380 nan 0.000 0.515 341 V N 1.136 120.951 119.914 -0.164 0.000 2.509 341 V HA 0.257 4.378 4.120 0.002 0.000 0.284 341 V C -0.538 175.292 176.094 -0.440 0.000 1.047 341 V CA -0.159 62.049 62.300 -0.153 0.000 0.952 341 V CB 0.657 32.455 31.823 -0.042 0.000 0.988 341 V HN 0.660 nan 8.190 nan 0.000 0.469 342 H N 0.880 119.658 119.070 -0.486 0.000 2.834 342 H HA 0.496 5.053 4.556 0.002 0.000 0.369 342 H C -0.895 174.159 175.328 -0.456 0.000 1.174 342 H CA -0.887 54.848 56.048 -0.522 0.000 1.165 342 H CB 1.211 30.506 29.762 -0.779 0.000 1.820 342 H HN 0.565 nan 8.280 nan 0.000 0.558 343 D N 0.719 121.053 120.400 -0.109 0.000 2.304 343 D HA 0.440 5.081 4.640 0.002 0.000 0.250 343 D C 1.004 177.293 176.300 -0.019 0.000 1.107 343 D CA 0.921 54.877 54.000 -0.073 0.000 0.885 343 D CB 1.584 42.358 40.800 -0.043 0.000 1.192 343 D HN 0.831 nan 8.370 nan 0.000 0.436 344 G N 0.795 109.538 108.800 -0.094 0.000 2.295 344 G HA2 -0.096 3.865 3.960 0.002 0.000 0.195 344 G HA3 -0.096 3.865 3.960 0.002 0.000 0.195 344 G C -1.699 173.012 174.900 -0.316 0.000 1.269 344 G CA -0.892 44.045 45.100 -0.272 0.000 1.170 344 G HN 0.331 nan 8.290 nan 0.000 0.511 345 Y N -0.605 119.733 120.300 0.063 0.000 2.446 345 Y HA 0.878 5.429 4.550 0.001 0.000 0.345 345 Y C 0.454 176.130 175.900 -0.373 0.000 0.984 345 Y CA -0.808 57.163 58.100 -0.216 0.000 1.058 345 Y CB 2.217 40.532 38.460 -0.242 0.000 1.220 345 Y HN 0.797 nan 8.280 nan 0.000 0.455 346 M N 2.632 122.151 119.600 -0.135 0.000 2.433 346 M HA 0.558 5.039 4.480 0.002 0.000 0.290 346 M C -2.290 174.101 176.300 0.153 0.000 1.173 346 M CA -1.138 54.029 55.300 -0.221 0.000 0.905 346 M CB 1.588 33.736 32.600 -0.753 0.000 1.692 346 M HN 0.591 nan 8.290 nan 0.000 0.462 347 Y N 0.354 120.723 120.300 0.115 0.000 2.602 347 Y HA 0.847 5.398 4.550 0.002 0.000 0.342 347 Y C 0.204 176.141 175.900 0.061 0.000 1.029 347 Y CA -0.317 57.886 58.100 0.173 0.000 1.080 347 Y CB 2.677 41.255 38.460 0.197 0.000 1.284 347 Y HN 0.769 nan 8.280 nan 0.000 0.485 348 T N -0.880 113.806 114.554 0.219 0.000 2.653 348 T HA 0.282 4.633 4.350 0.002 0.000 0.306 348 T C -2.161 172.653 174.700 0.189 0.000 1.426 348 T CA -0.513 61.614 62.100 0.045 0.000 1.008 348 T CB 0.758 69.407 68.868 -0.366 0.000 1.692 348 T HN 0.670 nan 8.240 nan 0.000 0.483 349 D N 1.676 122.163 120.400 0.146 0.000 2.990 349 D HA -0.122 4.519 4.640 0.002 0.000 0.245 349 D C -0.607 175.803 176.300 0.183 0.000 1.120 349 D CA 0.920 55.104 54.000 0.306 0.000 0.838 349 D CB -1.242 39.875 40.800 0.529 0.000 1.000 349 D HN 0.592 nan 8.370 nan 0.000 0.420 350 N N -0.488 118.092 118.700 -0.199 0.000 2.431 350 N HA 0.418 5.159 4.740 0.002 0.000 0.275 350 N C -0.542 174.157 175.510 -1.352 0.000 1.091 350 N CA -0.505 52.250 53.050 -0.492 0.000 0.922 350 N CB 1.665 40.115 38.487 -0.062 0.000 1.666 350 N HN 0.147 nan 8.380 nan 0.000 0.484 351 G N 2.091 109.845 108.800 -1.742 0.000 2.504 351 G HA2 0.325 4.286 3.960 0.002 0.000 0.326 351 G HA3 0.325 4.286 3.960 0.002 0.000 0.326 351 G C 0.485 175.145 174.900 -0.400 0.000 1.073 351 G CA -0.250 43.762 45.100 -1.813 0.000 1.030 351 G HN 0.485 nan 8.290 nan 0.000 0.448 352 F N 1.108 120.953 119.950 -0.174 0.000 2.250 352 F HA -0.001 4.527 4.527 0.001 0.000 0.301 352 F C 2.036 178.029 175.800 0.320 0.000 1.077 352 F CA -0.081 57.975 58.000 0.093 0.000 1.348 352 F CB -0.445 38.610 39.000 0.090 0.000 1.040 352 F HN 0.740 nan 8.300 nan 0.000 0.509 353 W N 1.445 122.950 121.300 0.342 0.000 2.331 353 W HA -0.269 4.392 4.660 0.002 0.000 0.291 353 W C 2.055 178.784 176.519 0.350 0.000 1.214 353 W CA 2.246 59.851 57.345 0.434 0.000 1.228 353 W CB -0.460 29.212 29.460 0.353 0.000 1.135 353 W HN 0.155 nan 8.180 nan 0.000 0.537 354 D N -1.779 118.742 120.400 0.201 0.000 2.269 354 D HA -0.132 4.509 4.640 0.002 0.000 0.220 354 D C 2.324 178.552 176.300 -0.119 0.000 0.962 354 D CA 2.179 56.126 54.000 -0.087 0.000 0.884 354 D CB -0.105 40.749 40.800 0.090 0.000 1.023 354 D HN 0.078 nan 8.370 nan 0.000 0.484 355 T N -1.658 112.946 114.554 0.083 0.000 3.088 355 T HA -0.055 4.296 4.350 0.002 0.000 0.259 355 T C 1.798 176.612 174.700 0.189 0.000 1.122 355 T CA 0.338 62.521 62.100 0.138 0.000 1.095 355 T CB -0.748 68.304 68.868 0.307 0.000 0.930 355 T HN 0.320 nan 8.240 nan 0.000 0.508 356 F N 2.098 122.120 119.950 0.120 0.000 2.293 356 F HA 0.267 4.795 4.527 0.002 0.000 0.300 356 F C 2.146 177.925 175.800 -0.035 0.000 1.086 356 F CA -0.006 58.019 58.000 0.042 0.000 1.375 356 F CB -0.469 38.553 39.000 0.037 0.000 1.045 356 F HN -0.020 nan 8.300 nan 0.000 0.516 357 R N 0.681 120.596 120.500 -0.976 0.000 2.075 357 R HA 0.145 4.486 4.340 0.002 0.000 0.232 357 R C 1.979 178.000 176.300 -0.464 0.000 1.126 357 R CA 1.497 57.009 56.100 -0.980 0.000 0.963 357 R CB -0.414 29.315 30.300 -0.950 0.000 0.858 357 R HN 0.498 nan 8.270 nan 0.000 0.435 358 A N -1.095 121.574 122.820 -0.252 0.000 1.996 358 A HA 0.159 4.480 4.320 0.002 0.000 0.185 358 A C 1.806 179.412 177.584 0.036 0.000 1.803 358 A CA -0.317 51.656 52.037 -0.108 0.000 1.335 358 A CB 0.153 19.194 19.000 0.068 0.000 1.486 358 A HN 0.008 nan 8.150 nan 0.000 0.408 359 V N 0.744 120.594 119.914 -0.106 0.000 2.237 359 V HA -0.234 3.888 4.120 0.002 0.000 0.245 359 V C 2.361 178.004 176.094 -0.752 0.000 1.046 359 V CA 2.295 64.369 62.300 -0.377 0.000 1.007 359 V CB -0.969 30.654 31.823 -0.332 0.000 0.638 359 V HN 0.615 nan 8.190 nan 0.000 0.445 360 H N -0.540 118.337 119.070 -0.322 0.000 2.389 360 H HA -0.056 4.501 4.556 0.002 0.000 0.299 360 H C -0.033 175.287 175.328 -0.013 0.000 1.081 360 H CA 1.843 57.782 56.048 -0.183 0.000 1.345 360 H CB -1.508 28.256 29.762 0.003 0.000 1.393 360 H HN 0.408 nan 8.280 nan 0.000 0.520 361 P HA -0.135 nan 4.420 nan 0.000 0.216 361 P C 1.904 179.466 177.300 0.437 0.000 1.150 361 P CA 0.694 63.940 63.100 0.243 0.000 0.837 361 P CB -0.091 31.674 31.700 0.108 0.000 0.786 362 L N -1.573 119.869 121.223 0.365 0.000 2.042 362 L HA -0.163 4.178 4.340 0.002 0.000 0.210 362 L C 2.032 179.117 176.870 0.359 0.000 1.076 362 L CA 1.951 56.905 54.840 0.190 0.000 0.749 362 L CB -1.275 40.707 42.059 -0.127 0.000 0.893 362 L HN -0.152 nan 8.230 nan 0.000 0.432 363 F N -0.009 120.144 119.950 0.338 0.000 2.095 363 F HA -0.205 4.323 4.527 0.002 0.000 0.298 363 F C 2.797 178.765 175.800 0.280 0.000 1.104 363 F CA 1.520 59.738 58.000 0.363 0.000 1.232 363 F CB -2.181 36.952 39.000 0.221 0.000 0.987 363 F HN 0.303 nan 8.300 nan 0.000 0.475 364 T N -1.538 113.270 114.554 0.423 0.000 2.849 364 T HA -0.179 4.172 4.350 0.002 0.000 0.270 364 T C 1.908 176.832 174.700 0.372 0.000 1.066 364 T CA 1.364 63.648 62.100 0.307 0.000 1.130 364 T CB -0.612 68.371 68.868 0.192 0.000 0.864 364 T HN 0.202 nan 8.240 nan 0.000 0.481 365 L N -0.272 121.197 121.223 0.411 0.000 2.185 365 L HA 0.484 4.825 4.340 0.002 0.000 0.198 365 L C 2.148 179.096 176.870 0.129 0.000 1.079 365 L CA 1.260 56.311 54.840 0.351 0.000 0.780 365 L CB -0.422 41.821 42.059 0.306 0.000 0.955 365 L HN 0.244 nan 8.230 nan 0.000 0.462 366 L N -1.890 119.360 121.223 0.046 0.000 2.463 366 L HA 0.071 4.412 4.340 0.002 0.000 0.219 366 L C 0.044 176.592 176.870 -0.535 0.000 1.088 366 L CA 0.162 54.819 54.840 -0.305 0.000 0.849 366 L CB 0.236 41.983 42.059 -0.521 0.000 1.012 366 L HN 0.220 nan 8.230 nan 0.000 0.468 367 Y N -1.289 119.182 120.300 0.285 0.000 2.517 367 Y HA 0.269 4.819 4.550 0.001 0.000 0.330 367 Y C -1.778 174.187 175.900 0.107 0.000 0.917 367 Y CA -1.874 56.363 58.100 0.228 0.000 1.131 367 Y CB -0.072 38.565 38.460 0.295 0.000 1.175 367 Y HN -0.048 nan 8.280 nan 0.000 0.620 368 P HA -0.167 nan 4.420 nan 0.000 0.226 368 P C 1.164 178.491 177.300 0.044 0.000 1.153 368 P CA 1.310 64.488 63.100 0.131 0.000 0.777 368 P CB 0.459 32.233 31.700 0.123 0.000 0.794 369 E N 0.625 120.844 120.200 0.031 0.000 2.204 369 E HA -0.082 4.269 4.350 0.002 0.000 0.194 369 E C 1.732 178.246 176.600 -0.143 0.000 0.989 369 E CA 1.036 57.419 56.400 -0.028 0.000 0.824 369 E CB -1.379 28.331 29.700 0.017 0.000 0.756 369 E HN 0.103 nan 8.360 nan 0.000 0.477 370 V N 1.717 121.486 119.914 -0.241 0.000 2.323 370 V HA -0.197 3.924 4.120 0.002 0.000 0.244 370 V C 2.538 178.408 176.094 -0.373 0.000 1.041 370 V CA 1.849 63.842 62.300 -0.512 0.000 1.025 370 V CB -0.608 30.565 31.823 -1.084 0.000 0.656 370 V HN 0.245 nan 8.190 nan 0.000 0.451 371 S N -0.303 115.310 115.700 -0.146 0.000 2.399 371 S HA -0.228 4.243 4.470 0.002 0.000 0.231 371 S C 1.873 176.423 174.600 -0.083 0.000 1.022 371 S CA 1.492 59.670 58.200 -0.037 0.000 0.983 371 S CB -0.316 62.947 63.200 0.106 0.000 0.803 371 S HN 0.682 nan 8.310 nan 0.000 0.480 372 E N 0.976 121.128 120.200 -0.080 0.000 2.085 372 E HA -0.160 4.191 4.350 0.002 0.000 0.194 372 E C 2.353 178.895 176.600 -0.096 0.000 0.994 372 E CA 1.034 57.395 56.400 -0.065 0.000 0.801 372 E CB -0.096 29.571 29.700 -0.055 0.000 0.743 372 E HN 0.448 nan 8.360 nan 0.000 0.453 373 R N 0.068 120.454 120.500 -0.191 0.000 2.100 373 R HA 0.002 4.343 4.340 0.002 0.000 0.220 373 R C 2.446 178.669 176.300 -0.128 0.000 1.091 373 R CA 0.558 56.543 56.100 -0.192 0.000 0.986 373 R CB -0.107 30.000 30.300 -0.322 0.000 0.888 373 R HN 0.023 nan 8.270 nan 0.000 0.444 374 V N 1.468 121.157 119.914 -0.375 0.000 2.343 374 V HA -0.259 3.862 4.120 0.002 0.000 0.247 374 V C 2.618 178.627 176.094 -0.141 0.000 1.051 374 V CA 2.441 64.503 62.300 -0.397 0.000 1.036 374 V CB -0.723 30.859 31.823 -0.402 0.000 0.654 374 V HN 0.551 nan 8.190 nan 0.000 0.451 375 T N -2.019 112.467 114.554 -0.113 0.000 2.777 375 T HA -0.283 4.068 4.350 0.002 0.000 0.266 375 T C 1.813 176.500 174.700 -0.022 0.000 1.040 375 T CA 1.607 63.661 62.100 -0.076 0.000 1.141 375 T CB -0.434 68.411 68.868 -0.039 0.000 0.868 375 T HN 0.490 nan 8.240 nan 0.000 0.444 376 Q N 0.972 120.784 119.800 0.021 0.000 2.096 376 Q HA -0.079 4.262 4.340 0.002 0.000 0.204 376 Q C 2.745 178.786 176.000 0.069 0.000 0.982 376 Q CA 1.807 57.652 55.803 0.069 0.000 0.850 376 Q CB -0.291 28.529 28.738 0.137 0.000 0.901 376 Q HN 0.577 nan 8.270 nan 0.000 0.422 377 S N 0.445 116.194 115.700 0.082 0.000 2.402 377 S HA -0.079 4.392 4.470 0.002 0.000 0.229 377 S C 1.851 176.474 174.600 0.039 0.000 1.021 377 S CA 0.722 58.969 58.200 0.080 0.000 0.974 377 S CB -0.105 63.218 63.200 0.204 0.000 0.800 377 S HN 0.292 nan 8.310 nan 0.000 0.484 378 I N 1.354 121.946 120.570 0.036 0.000 2.226 378 I HA -0.160 4.011 4.170 0.002 0.000 0.245 378 I C 1.881 177.999 176.117 0.002 0.000 1.100 378 I CA 0.898 62.216 61.300 0.030 0.000 1.374 378 I CB -0.286 37.709 38.000 -0.008 0.000 1.057 378 I HN 0.250 nan 8.210 nan 0.000 0.413 379 I N 0.865 121.433 120.570 -0.004 0.000 2.226 379 I HA -0.250 3.921 4.170 0.002 0.000 0.245 379 I C 2.193 178.350 176.117 0.066 0.000 1.100 379 I CA 1.468 62.785 61.300 0.029 0.000 1.374 379 I CB -1.668 36.338 38.000 0.009 0.000 1.057 379 I HN 0.314 nan 8.210 nan 0.000 0.413 380 N N 1.530 120.244 118.700 0.023 0.000 2.069 380 N HA -0.135 4.606 4.740 0.002 0.000 0.191 380 N C 1.959 177.413 175.510 -0.093 0.000 1.031 380 N CA 1.759 54.807 53.050 -0.003 0.000 0.852 380 N CB -0.376 38.122 38.487 0.019 0.000 1.018 380 N HN 0.371 nan 8.380 nan 0.000 0.423 381 A N 0.310 123.016 122.820 -0.190 0.000 1.902 381 A HA -0.197 4.124 4.320 0.002 0.000 0.217 381 A C 2.177 179.552 177.584 -0.349 0.000 1.181 381 A CA 1.260 52.954 52.037 -0.571 0.000 0.623 381 A CB -1.030 17.439 19.000 -0.885 0.000 0.818 381 A HN 0.445 nan 8.150 nan 0.000 0.443 382 Y N 1.484 121.649 120.300 -0.225 0.000 2.181 382 Y HA -0.236 4.315 4.550 0.002 0.000 0.288 382 Y C 2.134 177.958 175.900 -0.128 0.000 1.146 382 Y CA 2.154 60.176 58.100 -0.129 0.000 1.164 382 Y CB -0.293 38.103 38.460 -0.108 0.000 0.982 382 Y HN 0.323 nan 8.280 nan 0.000 0.515 383 N N 0.592 119.193 118.700 -0.166 0.000 2.166 383 N HA -0.154 4.587 4.740 0.002 0.000 0.186 383 N C 1.556 176.948 175.510 -0.197 0.000 1.019 383 N CA 1.820 54.734 53.050 -0.227 0.000 0.856 383 N CB -0.307 38.142 38.487 -0.063 0.000 0.993 383 N HN 0.592 nan 8.380 nan 0.000 0.426 384 E N -0.449 119.666 120.200 -0.142 0.000 2.371 384 E HA 0.007 4.358 4.350 0.002 0.000 0.194 384 E C 1.379 177.975 176.600 -0.008 0.000 1.012 384 E CA 0.838 57.207 56.400 -0.052 0.000 0.860 384 E CB 0.209 29.898 29.700 -0.019 0.000 0.811 384 E HN 0.376 nan 8.360 nan 0.000 0.502 385 S N -2.547 113.122 115.700 -0.052 0.000 2.651 385 S HA 0.322 4.793 4.470 0.002 0.000 0.259 385 S C 1.531 176.168 174.600 0.060 0.000 1.073 385 S CA 0.283 58.548 58.200 0.108 0.000 1.090 385 S CB 1.105 64.496 63.200 0.318 0.000 1.042 385 S HN 0.275 nan 8.310 nan 0.000 0.581 386 G N 0.535 109.205 108.800 -0.216 0.000 2.234 386 G HA2 -0.171 3.790 3.960 0.002 0.000 0.235 386 G HA3 -0.171 3.790 3.960 0.002 0.000 0.235 386 G C -0.148 174.484 174.900 -0.446 0.000 0.997 386 G CA 0.167 44.988 45.100 -0.464 0.000 0.623 386 G HN 0.529 nan 8.290 nan 0.000 0.514 387 F N 0.472 120.496 119.950 0.124 0.000 2.576 387 F HA 0.749 5.277 4.527 0.002 0.000 0.313 387 F C 0.696 176.683 175.800 0.312 0.000 1.078 387 F CA -1.082 57.092 58.000 0.290 0.000 0.921 387 F CB 1.535 40.598 39.000 0.104 0.000 1.232 387 F HN -0.049 nan 8.300 nan 0.000 0.459 388 M N 4.412 124.296 119.600 0.473 0.000 2.243 388 M HA 0.249 4.730 4.480 0.002 0.000 0.341 388 M C -2.303 174.220 176.300 0.371 0.000 1.130 388 M CA -1.418 54.060 55.300 0.297 0.000 1.162 388 M CB 0.472 33.163 32.600 0.151 0.000 1.497 388 M HN 0.182 nan 8.290 nan 0.000 0.456 389 P HA 0.140 nan 4.420 nan 0.000 0.276 389 P C -0.658 176.754 177.300 0.186 0.000 1.244 389 P CA 0.007 63.291 63.100 0.307 0.000 0.801 389 P CB 1.270 33.031 31.700 0.101 0.000 1.006 390 E N 0.225 120.485 120.200 0.099 0.000 2.629 390 E HA 0.089 4.440 4.350 0.002 0.000 0.197 390 E C -0.265 176.231 176.600 -0.174 0.000 0.955 390 E CA 0.681 57.117 56.400 0.059 0.000 1.191 390 E CB -0.055 29.756 29.700 0.184 0.000 1.175 390 E HN 0.470 nan 8.360 nan 0.000 0.501 391 W N 1.024 122.272 121.300 -0.088 0.000 2.475 391 W HA 0.580 5.241 4.660 0.002 0.000 0.317 391 W C -0.766 175.683 176.519 -0.117 0.000 1.046 391 W CA -0.314 56.955 57.345 -0.126 0.000 1.215 391 W CB 1.558 30.975 29.460 -0.072 0.000 1.335 391 W HN 0.002 nan 8.180 nan 0.000 0.471 392 A N 3.119 126.039 122.820 0.167 0.000 2.356 392 A HA 0.728 5.049 4.320 0.002 0.000 0.310 392 A C -0.797 176.861 177.584 0.123 0.000 1.075 392 A CA -0.557 51.519 52.037 0.064 0.000 0.746 392 A CB 1.879 20.838 19.000 -0.067 0.000 1.221 392 A HN 0.355 nan 8.150 nan 0.000 0.443 393 S N 3.406 119.074 115.700 -0.054 0.000 2.666 393 S HA 0.423 4.894 4.470 0.002 0.000 0.165 393 S C -2.584 171.712 174.600 -0.507 0.000 0.865 393 S CA -0.401 57.730 58.200 -0.115 0.000 1.038 393 S CB 1.036 64.342 63.200 0.178 0.000 1.507 393 S HN 0.485 nan 8.310 nan 0.000 0.422 394 P HA 0.265 nan 4.420 nan 0.000 0.234 394 P C 0.976 177.770 177.300 -0.844 0.000 1.175 394 P CA 0.433 62.954 63.100 -0.965 0.000 0.801 394 P CB 0.137 30.997 31.700 -1.399 0.000 0.891 395 G N -0.606 107.715 108.800 -0.798 0.000 2.702 395 G HA2 0.212 4.173 3.960 0.002 0.000 0.254 395 G HA3 0.212 4.173 3.960 0.002 0.000 0.254 395 G C -0.595 174.051 174.900 -0.423 0.000 1.380 395 G CA -0.402 44.132 45.100 -0.945 0.000 1.042 395 G HN 0.061 nan 8.290 nan 0.000 0.557 396 H N 0.926 119.923 119.070 -0.123 0.000 3.004 396 H HA 0.186 4.743 4.556 0.002 0.000 0.316 396 H C 0.243 175.505 175.328 -0.110 0.000 1.014 396 H CA 0.557 56.598 56.048 -0.012 0.000 1.454 396 H CB 0.453 30.218 29.762 0.005 0.000 1.472 396 H HN 0.112 nan 8.280 nan 0.000 0.571 397 R N 1.595 122.136 120.500 0.067 0.000 2.686 397 R HA 0.296 4.637 4.340 0.002 0.000 0.286 397 R C 0.275 176.552 176.300 -0.037 0.000 0.969 397 R CA -0.968 55.112 56.100 -0.033 0.000 0.898 397 R CB 2.043 32.303 30.300 -0.067 0.000 1.183 397 R HN 0.770 nan 8.270 nan 0.000 0.456 398 G N 0.813 109.554 108.800 -0.097 0.000 2.394 398 G HA2 0.360 4.321 3.960 0.002 0.000 0.298 398 G HA3 0.360 4.321 3.960 0.002 0.000 0.298 398 G C -0.448 174.388 174.900 -0.107 0.000 1.087 398 G CA -0.047 44.997 45.100 -0.095 0.000 1.035 398 G HN 0.515 nan 8.290 nan 0.000 0.420 399 C N 5.347 124.604 119.300 -0.072 0.000 3.199 399 C HA 0.610 5.071 4.460 0.002 0.000 0.392 399 C C -0.095 174.905 174.990 0.016 0.000 1.050 399 C CA -0.596 58.340 59.018 -0.137 0.000 1.222 399 C CB 0.372 27.795 27.740 -0.527 0.000 1.595 399 C HN 1.040 nan 8.230 nan 0.000 0.560 400 M N 2.976 122.539 119.600 -0.061 0.000 7.319 400 M HA -0.193 4.288 4.480 0.002 0.000 0.181 400 M C -0.244 175.974 176.300 -0.136 0.000 0.480 400 M CA 2.015 57.203 55.300 -0.186 0.000 1.311 400 M CB -1.899 30.627 32.600 -0.123 0.000 0.421 400 M HN 1.140 nan 8.290 nan 0.000 0.232 401 I N -2.976 117.467 120.570 -0.212 0.000 3.354 401 I HA 0.926 5.097 4.170 0.002 0.000 0.316 401 I C 0.428 176.682 176.117 0.229 0.000 1.182 401 I CA -0.206 61.081 61.300 -0.022 0.000 0.942 401 I CB 1.958 39.891 38.000 -0.112 0.000 1.299 401 I HN 1.681 nan 8.210 nan 0.000 0.473 402 G N 2.071 111.073 108.800 0.335 0.000 2.655 402 G HA2 -0.137 3.824 3.960 0.002 0.000 0.680 402 G HA3 -0.137 3.824 3.960 0.002 0.000 0.680 402 G C -1.128 173.990 174.900 0.363 0.000 1.302 402 G CA -0.335 45.044 45.100 0.466 0.000 0.872 402 G HN 0.886 nan 8.290 nan 0.000 0.540 403 N N 0.457 119.326 118.700 0.283 0.000 2.599 403 N HA 0.181 4.922 4.740 0.002 0.000 0.309 403 N C 0.901 176.450 175.510 0.066 0.000 1.743 403 N CA -0.215 52.910 53.050 0.124 0.000 0.918 403 N CB 0.261 38.744 38.487 -0.006 0.000 1.339 403 N HN 0.533 nan 8.380 nan 0.000 0.493 404 N N -0.441 118.343 118.700 0.141 0.000 2.515 404 N HA -0.104 4.637 4.740 0.002 0.000 0.185 404 N C 1.764 177.245 175.510 -0.049 0.000 1.109 404 N CA 0.442 53.483 53.050 -0.014 0.000 0.903 404 N CB 0.262 38.754 38.487 0.008 0.000 0.969 404 N HN 0.224 nan 8.380 nan 0.000 0.450 405 S N -0.005 115.749 115.700 0.090 0.000 2.380 405 S HA -0.189 4.282 4.470 0.002 0.000 0.229 405 S C 1.967 176.412 174.600 -0.259 0.000 1.043 405 S CA 1.165 59.321 58.200 -0.074 0.000 1.038 405 S CB -0.856 62.436 63.200 0.154 0.000 0.872 405 S HN 0.080 nan 8.310 nan 0.000 0.456 406 V N 1.777 121.555 119.914 -0.226 0.000 2.343 406 V HA -0.150 3.971 4.120 0.002 0.000 0.247 406 V C 2.999 178.889 176.094 -0.340 0.000 1.051 406 V CA 1.943 64.046 62.300 -0.328 0.000 1.036 406 V CB -1.231 30.394 31.823 -0.329 0.000 0.654 406 V HN 0.709 nan 8.190 nan 0.000 0.451 407 S N -0.264 115.262 115.700 -0.290 0.000 2.368 407 S HA -0.187 4.284 4.470 0.002 0.000 0.225 407 S C 1.931 176.438 174.600 -0.156 0.000 1.030 407 S CA 1.653 59.735 58.200 -0.196 0.000 0.999 407 S CB -0.292 62.831 63.200 -0.128 0.000 0.844 407 S HN 0.371 nan 8.310 nan 0.000 0.459 408 L N 1.500 122.563 121.223 -0.267 0.000 2.042 408 L HA -0.035 4.306 4.340 0.002 0.000 0.210 408 L C 2.397 179.126 176.870 -0.234 0.000 1.076 408 L CA 1.539 56.190 54.840 -0.315 0.000 0.749 408 L CB -0.752 40.901 42.059 -0.677 0.000 0.893 408 L HN 0.365 nan 8.230 nan 0.000 0.432 409 L N -1.932 119.118 121.223 -0.289 0.000 2.017 409 L HA -0.196 4.145 4.340 0.002 0.000 0.208 409 L C 2.382 179.148 176.870 -0.174 0.000 1.073 409 L CA 0.851 55.537 54.840 -0.257 0.000 0.745 409 L CB -0.611 41.196 42.059 -0.420 0.000 0.894 409 L HN 0.079 nan 8.230 nan 0.000 0.432 410 V N -0.328 119.445 119.914 -0.236 0.000 2.407 410 V HA -0.250 3.871 4.120 0.002 0.000 0.245 410 V C 2.117 178.234 176.094 0.038 0.000 1.041 410 V CA 1.856 64.090 62.300 -0.110 0.000 1.040 410 V CB -0.390 31.297 31.823 -0.226 0.000 0.671 410 V HN 0.440 nan 8.190 nan 0.000 0.455 411 D N 0.621 121.022 120.400 0.003 0.000 2.104 411 D HA -0.183 4.458 4.640 0.002 0.000 0.194 411 D C 2.116 178.430 176.300 0.023 0.000 0.994 411 D CA 1.696 55.715 54.000 0.031 0.000 0.830 411 D CB -0.113 40.716 40.800 0.049 0.000 0.959 411 D HN 0.364 nan 8.370 nan 0.000 0.452 412 A N 0.273 123.116 122.820 0.039 0.000 1.877 412 A HA -0.165 4.156 4.320 0.002 0.000 0.216 412 A C 2.288 179.922 177.584 0.083 0.000 1.186 412 A CA 1.316 53.379 52.037 0.043 0.000 0.620 412 A CB -1.436 17.593 19.000 0.048 0.000 0.822 412 A HN 0.627 nan 8.150 nan 0.000 0.443 413 W N 0.060 121.349 121.300 -0.020 0.000 2.338 413 W HA -0.170 4.491 4.660 0.002 0.000 0.304 413 W C 1.475 177.996 176.519 0.004 0.000 1.212 413 W CA 1.976 59.344 57.345 0.039 0.000 1.264 413 W CB -0.208 29.364 29.460 0.187 0.000 1.142 413 W HN 0.260 nan 8.180 nan 0.000 0.512 414 M N 0.338 120.055 119.600 0.196 0.000 2.619 414 M HA -0.061 4.420 4.480 0.002 0.000 0.251 414 M C 1.133 177.413 176.300 -0.034 0.000 1.106 414 M CA 1.265 56.615 55.300 0.084 0.000 1.086 414 M CB -0.941 31.701 32.600 0.070 0.000 1.465 414 M HN -0.060 nan 8.290 nan 0.000 0.506 415 K N -0.431 119.906 120.400 -0.105 0.000 2.399 415 K HA 0.338 4.659 4.320 0.002 0.000 0.204 415 K C 0.902 177.443 176.600 -0.098 0.000 1.023 415 K CA 0.314 56.474 56.287 -0.212 0.000 1.127 415 K CB 0.430 32.601 32.500 -0.548 0.000 0.856 415 K HN 0.411 nan 8.250 nan 0.000 0.514 416 G N 1.766 110.480 108.800 -0.143 0.000 2.141 416 G HA2 -0.251 3.710 3.960 0.002 0.000 0.242 416 G HA3 -0.251 3.710 3.960 0.002 0.000 0.242 416 G C 0.053 174.841 174.900 -0.188 0.000 0.982 416 G CA -0.308 44.683 45.100 -0.182 0.000 0.662 416 G HN 0.272 nan 8.290 nan 0.000 0.527 417 I N 1.151 121.629 120.570 -0.153 0.000 2.281 417 I HA 0.320 4.491 4.170 0.002 0.000 0.293 417 I C 0.419 176.446 176.117 -0.151 0.000 1.085 417 I CA 0.091 61.330 61.300 -0.101 0.000 1.257 417 I CB 1.006 38.996 38.000 -0.018 0.000 1.430 417 I HN 0.122 nan 8.210 nan 0.000 0.489 418 Q N 4.379 124.041 119.800 -0.229 0.000 3.300 418 Q HA 0.154 4.495 4.340 0.002 0.000 0.271 418 Q C 0.663 176.619 176.000 -0.074 0.000 0.926 418 Q CA -0.182 55.404 55.803 -0.363 0.000 0.788 418 Q CB 1.217 29.344 28.738 -1.018 0.000 1.385 418 Q HN 0.785 nan 8.270 nan 0.000 0.424 419 T N -3.954 110.639 114.554 0.066 0.000 3.037 419 T HA 0.113 4.464 4.350 0.002 0.000 0.252 419 T C 0.992 175.779 174.700 0.145 0.000 1.073 419 T CA 0.179 62.330 62.100 0.084 0.000 1.091 419 T CB 0.010 68.915 68.868 0.063 0.000 0.935 419 T HN 0.256 nan 8.240 nan 0.000 0.488 420 V N 0.435 120.483 119.914 0.224 0.000 2.904 420 V HA 0.511 4.632 4.120 0.002 0.000 0.305 420 V C -0.232 176.018 176.094 0.261 0.000 1.067 420 V CA -1.331 61.087 62.300 0.196 0.000 1.044 420 V CB 0.843 32.742 31.823 0.127 0.000 1.050 420 V HN 0.259 nan 8.190 nan 0.000 0.475 421 D N 2.036 122.526 120.400 0.150 0.000 2.348 421 D HA 0.496 5.138 4.640 0.002 0.000 0.253 421 D C 1.076 177.427 176.300 0.085 0.000 1.161 421 D CA 0.543 54.623 54.000 0.133 0.000 0.876 421 D CB 1.662 42.506 40.800 0.072 0.000 1.160 421 D HN 0.892 nan 8.370 nan 0.000 0.459 422 A N 4.410 127.289 122.820 0.097 0.000 1.892 422 A HA -0.225 4.096 4.320 0.002 0.000 0.218 422 A C 1.929 179.475 177.584 -0.063 0.000 1.188 422 A CA 1.296 53.277 52.037 -0.094 0.000 0.631 422 A CB -0.477 18.441 19.000 -0.137 0.000 0.822 422 A HN 0.750 nan 8.150 nan 0.000 0.447 423 E N -0.495 119.679 120.200 -0.044 0.000 2.072 423 E HA -0.192 4.159 4.350 0.002 0.000 0.191 423 E C 2.054 178.616 176.600 -0.062 0.000 0.985 423 E CA 1.523 57.892 56.400 -0.053 0.000 0.801 423 E CB -0.224 29.455 29.700 -0.035 0.000 0.750 423 E HN 0.603 nan 8.360 nan 0.000 0.452 424 K N 1.565 121.935 120.400 -0.049 0.000 2.057 424 K HA -0.054 4.267 4.320 0.002 0.000 0.206 424 K C 1.945 178.439 176.600 -0.176 0.000 1.050 424 K CA 1.482 57.728 56.287 -0.068 0.000 0.935 424 K CB -0.430 32.062 32.500 -0.014 0.000 0.715 424 K HN 0.042 nan 8.250 nan 0.000 0.439 425 A N 0.754 123.465 122.820 -0.182 0.000 1.902 425 A HA -0.104 4.217 4.320 0.002 0.000 0.217 425 A C 2.128 179.472 177.584 -0.400 0.000 1.181 425 A CA 1.630 53.464 52.037 -0.338 0.000 0.623 425 A CB -0.810 17.952 19.000 -0.398 0.000 0.818 425 A HN 0.379 nan 8.150 nan 0.000 0.443 426 L N 0.341 121.444 121.223 -0.200 0.000 2.046 426 L HA -0.175 4.166 4.340 0.002 0.000 0.208 426 L C 2.315 179.040 176.870 -0.241 0.000 1.077 426 L CA 2.718 57.454 54.840 -0.175 0.000 0.747 426 L CB -0.664 41.372 42.059 -0.039 0.000 0.896 426 L HN 0.645 nan 8.230 nan 0.000 0.432 427 E N -0.551 119.522 120.200 -0.211 0.000 2.077 427 E HA -0.243 4.108 4.350 0.002 0.000 0.193 427 E C 2.046 178.471 176.600 -0.292 0.000 0.989 427 E CA 1.218 57.509 56.400 -0.183 0.000 0.800 427 E CB -0.175 29.458 29.700 -0.111 0.000 0.746 427 E HN 0.582 nan 8.360 nan 0.000 0.452 428 A N 1.010 123.483 122.820 -0.579 0.000 1.902 428 A HA -0.183 4.138 4.320 0.002 0.000 0.217 428 A C 2.243 179.532 177.584 -0.491 0.000 1.181 428 A CA 1.767 53.212 52.037 -0.986 0.000 0.623 428 A CB -0.522 17.658 19.000 -1.366 0.000 0.818 428 A HN 0.324 nan 8.150 nan 0.000 0.443 429 M N -0.761 118.575 119.600 -0.440 0.000 2.086 429 M HA -0.093 4.388 4.480 0.002 0.000 0.261 429 M C 2.126 178.250 176.300 -0.293 0.000 1.067 429 M CA 1.640 56.711 55.300 -0.383 0.000 1.116 429 M CB -0.507 31.799 32.600 -0.490 0.000 1.348 429 M HN 0.387 nan 8.290 nan 0.000 0.407 430 I N -0.910 119.502 120.570 -0.262 0.000 2.226 430 I HA -0.329 3.842 4.170 0.002 0.000 0.245 430 I C 2.530 178.587 176.117 -0.099 0.000 1.100 430 I CA 1.605 62.816 61.300 -0.147 0.000 1.374 430 I CB -0.615 37.334 38.000 -0.086 0.000 1.057 430 I HN 0.356 nan 8.210 nan 0.000 0.413 431 H N 0.746 119.705 119.070 -0.186 0.000 2.387 431 H HA -0.239 4.318 4.556 0.002 0.000 0.299 431 H C 2.176 177.404 175.328 -0.167 0.000 1.090 431 H CA 1.804 57.746 56.048 -0.177 0.000 1.332 431 H CB 0.002 29.682 29.762 -0.136 0.000 1.386 431 H HN 0.187 nan 8.280 nan 0.000 0.516 432 Q N -0.031 119.676 119.800 -0.155 0.000 2.234 432 Q HA -0.107 4.234 4.340 0.002 0.000 0.206 432 Q C 2.047 177.912 176.000 -0.224 0.000 0.980 432 Q CA 1.971 57.709 55.803 -0.107 0.000 0.869 432 Q CB -0.188 28.518 28.738 -0.053 0.000 0.912 432 Q HN 0.684 nan 8.270 nan 0.000 0.436 433 T N -3.583 110.817 114.554 -0.258 0.000 3.060 433 T HA 0.129 4.480 4.350 0.002 0.000 0.249 433 T C 1.027 175.492 174.700 -0.392 0.000 1.079 433 T CA -0.087 61.846 62.100 -0.277 0.000 1.013 433 T CB 0.284 69.093 68.868 -0.098 0.000 0.975 433 T HN 0.078 nan 8.240 nan 0.000 0.518 434 Q N 0.521 119.989 119.800 -0.554 0.000 2.139 434 Q HA 0.650 4.991 4.340 0.002 0.000 0.219 434 Q C -0.012 175.192 176.000 -1.328 0.000 0.805 434 Q CA -0.058 55.273 55.803 -0.785 0.000 1.024 434 Q CB 1.527 30.069 28.738 -0.328 0.000 1.163 434 Q HN 0.690 nan 8.270 nan 0.000 0.485 435 A N 0.395 122.452 122.820 -1.272 0.000 2.599 435 A HA 0.816 5.137 4.320 0.002 0.000 0.290 435 A C -1.338 176.089 177.584 -0.261 0.000 1.101 435 A CA -0.642 50.910 52.037 -0.809 0.000 0.674 435 A CB 1.938 20.587 19.000 -0.585 0.000 1.277 435 A HN 0.065 nan 8.150 nan 0.000 0.419 436 R N 0.482 121.046 120.500 0.106 0.000 2.651 436 R HA 0.307 4.648 4.340 0.002 0.000 0.278 436 R C -1.188 175.061 176.300 -0.084 0.000 1.010 436 R CA -0.653 55.449 56.100 0.003 0.000 0.896 436 R CB 1.401 31.775 30.300 0.124 0.000 1.211 436 R HN 1.038 nan 8.270 nan 0.000 0.456 437 H N 1.930 120.593 119.070 -0.678 0.000 2.972 437 H HA -0.007 4.550 4.556 0.002 0.000 0.343 437 H C 0.597 175.835 175.328 -0.150 0.000 1.054 437 H CA 1.382 57.135 56.048 -0.493 0.000 1.412 437 H CB 1.558 30.938 29.762 -0.637 0.000 1.385 437 H HN 0.784 nan 8.280 nan 0.000 0.600 438 A N 4.821 127.522 122.820 -0.198 0.000 1.972 438 A HA -0.145 4.176 4.320 0.002 0.000 0.219 438 A C 1.905 179.545 177.584 0.093 0.000 1.169 438 A CA 1.538 53.553 52.037 -0.036 0.000 0.635 438 A CB 0.077 19.023 19.000 -0.090 0.000 0.810 438 A HN 0.763 nan 8.150 nan 0.000 0.446 439 E N -1.139 119.254 120.200 0.321 0.000 2.364 439 E HA 0.252 4.603 4.350 0.002 0.000 0.203 439 E C 0.040 176.683 176.600 0.072 0.000 0.888 439 E CA 0.190 56.703 56.400 0.188 0.000 0.989 439 E CB 0.243 30.053 29.700 0.183 0.000 0.985 439 E HN 0.600 nan 8.360 nan 0.000 0.499 440 I N 1.540 122.114 120.570 0.007 0.000 2.328 440 I HA 0.263 4.434 4.170 0.002 0.000 0.287 440 I C 1.058 177.086 176.117 -0.149 0.000 1.012 440 I CA -0.488 60.687 61.300 -0.208 0.000 1.195 440 I CB 1.743 39.432 38.000 -0.519 0.000 1.350 440 I HN -0.115 nan 8.210 nan 0.000 0.464 441 A N 4.086 126.856 122.820 -0.083 0.000 2.015 441 A HA -0.128 4.193 4.320 0.002 0.000 0.219 441 A C 2.177 179.733 177.584 -0.048 0.000 1.163 441 A CA 1.765 53.776 52.037 -0.045 0.000 0.646 441 A CB -0.345 18.645 19.000 -0.016 0.000 0.806 441 A HN 0.766 nan 8.150 nan 0.000 0.448 442 S N -1.003 114.660 115.700 -0.063 0.000 2.607 442 S HA 0.194 4.665 4.470 0.002 0.000 0.224 442 S C 0.271 174.834 174.600 -0.062 0.000 0.969 442 S CA 0.217 58.405 58.200 -0.020 0.000 0.927 442 S CB -0.392 62.820 63.200 0.019 0.000 0.772 442 S HN 0.108 nan 8.310 nan 0.000 0.533 443 V N 2.345 122.136 119.914 -0.206 0.000 2.350 443 V HA 0.699 4.820 4.120 0.002 0.000 0.276 443 V C 1.029 176.821 176.094 -0.504 0.000 1.028 443 V CA 0.262 62.337 62.300 -0.375 0.000 0.860 443 V CB -0.156 31.260 31.823 -0.678 0.000 0.990 443 V HN 0.727 nan 8.190 nan 0.000 0.453 444 G N 5.077 113.734 108.800 -0.239 0.000 2.499 444 G HA2 -0.213 3.748 3.960 0.002 0.000 0.232 444 G HA3 -0.213 3.748 3.960 0.002 0.000 0.232 444 G C -0.166 174.675 174.900 -0.099 0.000 1.251 444 G CA 0.157 45.207 45.100 -0.085 0.000 0.917 444 G HN 0.888 nan 8.290 nan 0.000 0.580 445 R N 0.641 121.071 120.500 -0.118 0.000 2.352 445 R HA 0.445 4.786 4.340 0.002 0.000 0.304 445 R C -0.873 175.469 176.300 0.070 0.000 1.104 445 R CA -0.488 55.509 56.100 -0.172 0.000 0.991 445 R CB 0.492 30.539 30.300 -0.421 0.000 1.140 445 R HN 0.572 nan 8.270 nan 0.000 0.540 446 D N 2.660 123.142 120.400 0.137 0.000 2.450 446 D HA 0.137 4.778 4.640 0.002 0.000 0.247 446 D C 1.005 177.449 176.300 0.240 0.000 1.162 446 D CA 2.040 56.146 54.000 0.177 0.000 0.879 446 D CB 0.838 41.724 40.800 0.143 0.000 1.163 446 D HN 0.798 nan 8.370 nan 0.000 0.472 447 G N 3.419 112.314 108.800 0.159 0.000 2.136 447 G HA2 -0.343 3.618 3.960 0.002 0.000 0.242 447 G HA3 -0.343 3.618 3.960 0.002 0.000 0.242 447 G C 0.829 175.798 174.900 0.115 0.000 0.989 447 G CA 0.436 45.635 45.100 0.163 0.000 0.682 447 G HN 0.592 nan 8.290 nan 0.000 0.522 448 F N 0.428 120.392 119.950 0.022 0.000 2.216 448 F HA 0.199 4.728 4.527 0.002 0.000 0.300 448 F C 1.965 177.792 175.800 0.044 0.000 1.085 448 F CA 1.556 59.547 58.000 -0.015 0.000 1.326 448 F CB -0.460 38.468 39.000 -0.120 0.000 1.027 448 F HN 0.274 nan 8.300 nan 0.000 0.497 449 E N 0.304 119.995 120.200 -0.848 0.000 2.031 449 E HA -0.177 4.174 4.350 0.002 0.000 0.193 449 E C 1.946 178.389 176.600 -0.262 0.000 0.994 449 E CA 1.851 57.895 56.400 -0.593 0.000 0.800 449 E CB -0.785 28.446 29.700 -0.782 0.000 0.752 449 E HN 0.465 nan 8.360 nan 0.000 0.447 450 Y N -0.415 119.768 120.300 -0.195 0.000 2.128 450 Y HA -0.258 4.293 4.550 0.002 0.000 0.284 450 Y C 2.308 178.133 175.900 -0.125 0.000 1.154 450 Y CA 1.436 59.437 58.100 -0.164 0.000 1.149 450 Y CB -0.916 37.454 38.460 -0.151 0.000 0.976 450 Y HN 0.169 nan 8.280 nan 0.000 0.505 451 Y N 1.071 121.400 120.300 0.048 0.000 2.165 451 Y HA -0.281 4.270 4.550 0.002 0.000 0.286 451 Y C 2.024 177.922 175.900 -0.004 0.000 1.155 451 Y CA 2.003 60.126 58.100 0.038 0.000 1.164 451 Y CB -0.373 38.192 38.460 0.174 0.000 0.978 451 Y HN 0.082 nan 8.280 nan 0.000 0.513 452 D N -0.529 119.954 120.400 0.139 0.000 2.144 452 D HA -0.160 4.481 4.640 0.002 0.000 0.200 452 D C 2.286 178.536 176.300 -0.084 0.000 0.978 452 D CA 1.440 55.452 54.000 0.021 0.000 0.833 452 D CB -0.237 40.618 40.800 0.092 0.000 0.961 452 D HN 0.231 nan 8.370 nan 0.000 0.470 453 K N -0.004 120.344 120.400 -0.085 0.000 2.076 453 K HA 0.092 4.413 4.320 0.002 0.000 0.204 453 K C 2.144 178.657 176.600 -0.146 0.000 1.051 453 K CA 0.345 56.571 56.287 -0.102 0.000 0.949 453 K CB -0.361 32.085 32.500 -0.089 0.000 0.726 453 K HN 0.214 nan 8.250 nan 0.000 0.443 454 L N -1.494 119.591 121.223 -0.229 0.000 2.515 454 L HA 0.375 4.716 4.340 0.002 0.000 0.223 454 L C 1.751 178.430 176.870 -0.317 0.000 1.079 454 L CA 0.627 55.258 54.840 -0.348 0.000 0.857 454 L CB 0.380 42.008 42.059 -0.719 0.000 1.050 454 L HN 0.616 nan 8.230 nan 0.000 0.476 455 G N 0.209 108.803 108.800 -0.343 0.000 2.175 455 G HA2 -0.306 3.655 3.960 0.002 0.000 0.244 455 G HA3 -0.306 3.655 3.960 0.002 0.000 0.244 455 G C 0.003 174.797 174.900 -0.177 0.000 0.982 455 G CA 0.297 45.223 45.100 -0.290 0.000 0.641 455 G HN 0.456 nan 8.290 nan 0.000 0.527 456 Y N -2.987 117.206 120.300 -0.178 0.000 2.677 456 Y HA 0.641 5.192 4.550 0.002 0.000 0.334 456 Y C -0.512 175.462 175.900 0.123 0.000 1.196 456 Y CA -1.609 56.502 58.100 0.018 0.000 1.059 456 Y CB 0.746 39.190 38.460 -0.027 0.000 1.315 456 Y HN 0.422 nan 8.280 nan 0.000 0.455 457 V N 3.862 123.973 119.914 0.329 0.000 2.432 457 V HA 0.488 4.609 4.120 0.002 0.000 0.275 457 V C -2.195 173.982 176.094 0.139 0.000 1.043 457 V CA -1.658 60.748 62.300 0.176 0.000 0.925 457 V CB 1.125 33.061 31.823 0.188 0.000 0.985 457 V HN 0.644 nan 8.190 nan 0.000 0.466 458 P HA 0.331 nan 4.420 nan 0.000 0.290 458 P C -1.615 175.614 177.300 -0.119 0.000 1.275 458 P CA -0.521 62.529 63.100 -0.083 0.000 0.841 458 P CB 1.301 32.771 31.700 -0.383 0.000 1.042 459 Y N 4.317 124.493 120.300 -0.206 0.000 2.429 459 Y HA 0.423 4.974 4.550 0.002 0.000 0.342 459 Y C -1.798 173.984 175.900 -0.196 0.000 1.004 459 Y CA -2.593 55.373 58.100 -0.222 0.000 1.075 459 Y CB 2.342 40.630 38.460 -0.287 0.000 1.214 459 Y HN 0.216 nan 8.280 nan 0.000 0.455 460 P HA 0.076 nan 4.420 nan 0.000 0.257 460 P C 0.095 177.012 177.300 -0.638 0.000 1.281 460 P CA 0.585 62.864 63.100 -1.370 0.000 0.826 460 P CB 0.494 31.596 31.700 -0.998 0.000 1.237 461 E N -0.130 119.834 120.200 -0.392 0.000 2.130 461 E HA -0.077 4.274 4.350 0.002 0.000 0.196 461 E C 0.560 177.075 176.600 -0.141 0.000 0.998 461 E CA 1.063 57.318 56.400 -0.241 0.000 0.806 461 E CB -0.261 29.238 29.700 -0.335 0.000 0.738 461 E HN 0.126 nan 8.360 nan 0.000 0.459 462 V N 1.389 121.224 119.914 -0.132 0.000 2.577 462 V HA 0.275 4.396 4.120 0.002 0.000 0.303 462 V C -2.503 173.609 176.094 0.031 0.000 1.042 462 V CA -2.339 59.948 62.300 -0.022 0.000 0.872 462 V CB 1.898 33.743 31.823 0.036 0.000 0.998 462 V HN -0.090 nan 8.190 nan 0.000 0.423 463 P HA 0.125 nan 4.420 nan 0.000 0.266 463 P C 0.234 177.544 177.300 0.017 0.000 1.195 463 P CA 0.404 63.559 63.100 0.091 0.000 0.768 463 P CB 0.182 31.899 31.700 0.029 0.000 0.838 464 E N 0.576 120.743 120.200 -0.054 0.000 2.637 464 E HA -0.305 4.046 4.350 0.002 0.000 0.265 464 E C 0.986 177.411 176.600 -0.291 0.000 1.073 464 E CA 0.398 56.656 56.400 -0.237 0.000 0.778 464 E CB -1.645 27.937 29.700 -0.198 0.000 1.362 464 E HN 0.546 nan 8.360 nan 0.000 0.413 465 A N -0.175 122.517 122.820 -0.213 0.000 1.933 465 A HA -0.208 4.113 4.320 0.002 0.000 0.218 465 A C 2.265 179.699 177.584 -0.250 0.000 1.175 465 A CA 2.086 54.026 52.037 -0.161 0.000 0.628 465 A CB -0.285 18.692 19.000 -0.038 0.000 0.814 465 A HN 0.338 nan 8.150 nan 0.000 0.444 466 T N -0.116 114.183 114.554 -0.425 0.000 2.812 466 T HA 0.106 4.457 4.350 0.002 0.000 0.264 466 T C 2.277 176.769 174.700 -0.346 0.000 1.042 466 T CA 1.293 63.171 62.100 -0.370 0.000 1.140 466 T CB -0.398 68.105 68.868 -0.609 0.000 0.870 466 T HN 0.576 nan 8.240 nan 0.000 0.445 467 A N 1.882 124.321 122.820 -0.634 0.000 1.908 467 A HA -0.159 4.162 4.320 0.002 0.000 0.218 467 A C 2.231 179.523 177.584 -0.487 0.000 1.181 467 A CA 1.707 53.169 52.037 -0.958 0.000 0.627 467 A CB -0.452 17.613 19.000 -1.559 0.000 0.818 467 A HN 0.458 nan 8.150 nan 0.000 0.445 468 K N -0.939 119.179 120.400 -0.469 0.000 2.026 468 K HA -0.103 4.218 4.320 0.002 0.000 0.208 468 K C 2.145 178.216 176.600 -0.881 0.000 1.048 468 K CA 1.807 57.674 56.287 -0.699 0.000 0.929 468 K CB -0.502 31.608 32.500 -0.650 0.000 0.713 468 K HN 0.472 nan 8.250 nan 0.000 0.439 469 T N 2.034 116.366 114.554 -0.370 0.000 2.665 469 T HA -0.151 4.200 4.350 0.002 0.000 0.268 469 T C 1.855 176.644 174.700 0.148 0.000 1.035 469 T CA 1.290 63.406 62.100 0.027 0.000 1.151 469 T CB -0.264 68.735 68.868 0.220 0.000 0.862 469 T HN 0.103 nan 8.240 nan 0.000 0.438 470 L N 0.668 121.974 121.223 0.138 0.000 2.046 470 L HA -0.072 4.269 4.340 0.002 0.000 0.208 470 L C 2.906 179.950 176.870 0.290 0.000 1.077 470 L CA 1.135 56.147 54.840 0.286 0.000 0.747 470 L CB -0.523 41.774 42.059 0.398 0.000 0.896 470 L HN 0.175 nan 8.230 nan 0.000 0.432 471 E N -0.379 119.970 120.200 0.249 0.000 2.110 471 E HA -0.199 4.152 4.350 0.002 0.000 0.193 471 E C 2.218 179.037 176.600 0.365 0.000 0.988 471 E CA 1.303 57.914 56.400 0.352 0.000 0.804 471 E CB -0.191 29.733 29.700 0.373 0.000 0.745 471 E HN 0.494 nan 8.360 nan 0.000 0.458 472 Y N 0.645 121.025 120.300 0.133 0.000 2.263 472 Y HA -0.001 4.550 4.550 0.002 0.000 0.292 472 Y C 2.462 178.422 175.900 0.100 0.000 1.130 472 Y CA 0.263 58.347 58.100 -0.025 0.000 1.179 472 Y CB -1.273 36.930 38.460 -0.430 0.000 0.998 472 Y HN -0.010 nan 8.280 nan 0.000 0.532 473 A N -0.454 122.615 122.820 0.415 0.000 1.933 473 A HA -0.262 4.059 4.320 0.002 0.000 0.218 473 A C 2.158 179.810 177.584 0.112 0.000 1.175 473 A CA 1.702 53.971 52.037 0.387 0.000 0.628 473 A CB -1.333 17.966 19.000 0.498 0.000 0.814 473 A HN 0.516 nan 8.150 nan 0.000 0.444 474 Y N 0.609 120.853 120.300 -0.095 0.000 2.163 474 Y HA -0.028 4.523 4.550 0.002 0.000 0.288 474 Y C 2.589 178.474 175.900 -0.025 0.000 1.136 474 Y CA 1.159 59.074 58.100 -0.308 0.000 1.147 474 Y CB -0.691 37.677 38.460 -0.152 0.000 0.987 474 Y HN 0.282 nan 8.280 nan 0.000 0.509 475 A N 0.152 122.879 122.820 -0.156 0.000 1.933 475 A HA -0.170 4.151 4.320 0.002 0.000 0.218 475 A C 1.919 179.389 177.584 -0.189 0.000 1.175 475 A CA 1.926 53.801 52.037 -0.270 0.000 0.628 475 A CB -0.785 18.164 19.000 -0.085 0.000 0.814 475 A HN 0.552 nan 8.150 nan 0.000 0.444 476 D N -1.485 118.914 120.400 -0.002 0.000 2.144 476 D HA -0.160 4.481 4.640 0.002 0.000 0.200 476 D C 1.562 177.874 176.300 0.019 0.000 0.978 476 D CA 1.170 55.253 54.000 0.138 0.000 0.833 476 D CB -0.450 40.527 40.800 0.297 0.000 0.961 476 D HN 0.770 nan 8.370 nan 0.000 0.470 477 W N 1.388 122.556 121.300 -0.221 0.000 2.338 477 W HA -0.277 4.384 4.660 0.002 0.000 0.304 477 W C 2.260 178.606 176.519 -0.288 0.000 1.212 477 W CA 1.296 58.498 57.345 -0.238 0.000 1.264 477 W CB -0.452 28.853 29.460 -0.259 0.000 1.142 477 W HN -0.048 nan 8.180 nan 0.000 0.512 478 C N 0.428 119.522 119.300 -0.343 0.000 2.413 478 C HA -0.208 4.253 4.460 0.002 0.000 0.276 478 C C 2.695 177.352 174.990 -0.555 0.000 1.248 478 C CA 1.332 60.012 59.018 -0.563 0.000 1.742 478 C CB -1.509 25.946 27.740 -0.475 0.000 2.017 478 C HN 0.390 nan 8.230 nan 0.000 0.481 479 I N 1.304 121.569 120.570 -0.508 0.000 2.315 479 I HA -0.182 3.989 4.170 0.002 0.000 0.248 479 I C 2.740 178.517 176.117 -0.566 0.000 1.117 479 I CA 1.444 62.399 61.300 -0.575 0.000 1.404 479 I CB -0.529 36.961 38.000 -0.850 0.000 1.071 479 I HN 0.277 nan 8.210 nan 0.000 0.419 480 A N 0.861 123.311 122.820 -0.617 0.000 1.877 480 A HA -0.188 4.133 4.320 0.002 0.000 0.216 480 A C 2.412 179.528 177.584 -0.781 0.000 1.186 480 A CA 1.323 52.870 52.037 -0.816 0.000 0.620 480 A CB -0.457 17.672 19.000 -1.450 0.000 0.822 480 A HN 0.237 nan 8.150 nan 0.000 0.443 481 R N -1.707 118.324 120.500 -0.782 0.000 2.083 481 R HA -0.142 4.199 4.340 0.002 0.000 0.237 481 R C 1.975 178.096 176.300 -0.299 0.000 1.137 481 R CA 1.584 57.381 56.100 -0.505 0.000 0.951 481 R CB -1.013 28.838 30.300 -0.747 0.000 0.851 481 R HN 0.615 nan 8.270 nan 0.000 0.434 482 F N 1.356 121.023 119.950 -0.472 0.000 2.075 482 F HA -0.189 4.339 4.527 0.002 0.000 0.297 482 F C 2.388 177.960 175.800 -0.381 0.000 1.113 482 F CA 1.544 59.279 58.000 -0.442 0.000 1.218 482 F CB -0.497 38.184 39.000 -0.531 0.000 0.984 482 F HN 0.039 nan 8.300 nan 0.000 0.472 483 A N -0.304 122.336 122.820 -0.301 0.000 1.908 483 A HA -0.265 4.056 4.320 0.002 0.000 0.218 483 A C 2.205 179.641 177.584 -0.247 0.000 1.181 483 A CA 1.887 53.745 52.037 -0.298 0.000 0.627 483 A CB -1.093 17.776 19.000 -0.217 0.000 0.818 483 A HN 0.573 nan 8.150 nan 0.000 0.445 484 E N 0.289 120.379 120.200 -0.184 0.000 2.085 484 E HA -0.193 4.158 4.350 0.002 0.000 0.194 484 E C 2.122 178.668 176.600 -0.090 0.000 0.994 484 E CA 1.601 57.964 56.400 -0.063 0.000 0.801 484 E CB -0.145 29.598 29.700 0.072 0.000 0.743 484 E HN 0.741 nan 8.360 nan 0.000 0.453 485 S N -0.013 115.596 115.700 -0.153 0.000 2.474 485 S HA -0.068 4.403 4.470 0.002 0.000 0.235 485 S C 1.784 176.298 174.600 -0.143 0.000 0.997 485 S CA 0.590 58.722 58.200 -0.112 0.000 0.949 485 S CB -0.250 62.912 63.200 -0.063 0.000 0.766 485 S HN 0.327 nan 8.310 nan 0.000 0.517 486 L N 0.467 121.531 121.223 -0.265 0.000 2.567 486 L HA 0.349 4.690 4.340 0.002 0.000 0.225 486 L C 1.912 178.707 176.870 -0.124 0.000 1.119 486 L CA 0.365 55.069 54.840 -0.227 0.000 0.871 486 L CB -0.693 41.147 42.059 -0.365 0.000 1.036 486 L HN 0.579 nan 8.230 nan 0.000 0.459 487 G N 0.830 109.573 108.800 -0.095 0.000 2.157 487 G HA2 -0.286 3.675 3.960 0.002 0.000 0.248 487 G HA3 -0.286 3.675 3.960 0.002 0.000 0.248 487 G C 0.305 175.175 174.900 -0.049 0.000 0.979 487 G CA -0.155 44.915 45.100 -0.050 0.000 0.650 487 G HN 0.393 nan 8.290 nan 0.000 0.529 488 K N 0.393 120.747 120.400 -0.078 0.000 2.307 488 K HA 0.325 4.646 4.320 0.002 0.000 0.240 488 K C 1.372 177.956 176.600 -0.027 0.000 1.214 488 K CA -0.256 55.996 56.287 -0.059 0.000 1.149 488 K CB 0.699 33.146 32.500 -0.089 0.000 1.668 488 K HN 0.228 nan 8.250 nan 0.000 0.314 489 Q N 1.342 121.144 119.800 0.003 0.000 2.167 489 Q HA -0.177 4.164 4.340 0.002 0.000 0.202 489 Q C 0.911 176.946 176.000 0.058 0.000 0.970 489 Q CA 1.802 57.631 55.803 0.042 0.000 0.855 489 Q CB 0.194 28.960 28.738 0.047 0.000 0.911 489 Q HN 0.423 nan 8.270 nan 0.000 0.438 490 D N -0.387 120.036 120.400 0.039 0.000 2.097 490 D HA -0.134 4.507 4.640 0.002 0.000 0.195 490 D C 1.816 178.151 176.300 0.059 0.000 0.989 490 D CA 1.233 55.261 54.000 0.046 0.000 0.827 490 D CB -0.148 40.669 40.800 0.029 0.000 0.966 490 D HN 0.345 nan 8.370 nan 0.000 0.456 491 I N 1.138 121.736 120.570 0.047 0.000 2.226 491 I HA -0.247 3.924 4.170 0.002 0.000 0.245 491 I C 2.483 178.663 176.117 0.104 0.000 1.100 491 I CA 0.909 62.259 61.300 0.082 0.000 1.374 491 I CB -0.207 37.811 38.000 0.030 0.000 1.057 491 I HN -0.082 nan 8.210 nan 0.000 0.413 492 A N 0.804 123.642 122.820 0.029 0.000 1.883 492 A HA -0.259 4.062 4.320 0.002 0.000 0.217 492 A C 1.947 179.601 177.584 0.116 0.000 1.186 492 A CA 2.238 54.261 52.037 -0.024 0.000 0.624 492 A CB -0.658 18.358 19.000 0.026 0.000 0.822 492 A HN 0.356 nan 8.150 nan 0.000 0.444 493 D N -0.489 120.035 120.400 0.207 0.000 2.144 493 D HA -0.147 4.494 4.640 0.002 0.000 0.199 493 D C 2.133 178.534 176.300 0.168 0.000 0.984 493 D CA 1.386 55.537 54.000 0.252 0.000 0.834 493 D CB -0.488 40.416 40.800 0.172 0.000 0.955 493 D HN 0.640 nan 8.370 nan 0.000 0.465 494 Q N -0.738 119.122 119.800 0.100 0.000 2.096 494 Q HA -0.182 4.159 4.340 0.002 0.000 0.204 494 Q C 1.849 177.793 176.000 -0.093 0.000 0.982 494 Q CA 1.251 57.052 55.803 -0.004 0.000 0.850 494 Q CB -0.134 28.584 28.738 -0.034 0.000 0.901 494 Q HN 0.447 nan 8.270 nan 0.000 0.422 495 Y N -1.931 118.344 120.300 -0.040 0.000 2.365 495 Y HA -0.135 4.416 4.550 0.002 0.000 0.293 495 Y C 1.710 177.579 175.900 -0.051 0.000 1.119 495 Y CA 0.650 58.697 58.100 -0.089 0.000 1.203 495 Y CB 0.112 38.446 38.460 -0.209 0.000 1.026 495 Y HN 0.119 nan 8.280 nan 0.000 0.549 496 Y N 0.118 120.502 120.300 0.139 0.000 2.256 496 Y HA -0.289 4.262 4.550 0.002 0.000 0.288 496 Y C 2.713 178.673 175.900 0.100 0.000 1.155 496 Y CA 1.600 59.765 58.100 0.108 0.000 1.203 496 Y CB -1.171 37.418 38.460 0.214 0.000 0.980 496 Y HN 0.306 nan 8.280 nan 0.000 0.530 497 Q N 0.823 120.758 119.800 0.226 0.000 2.291 497 Q HA -0.161 4.180 4.340 0.002 0.000 0.206 497 Q C 1.815 177.865 176.000 0.082 0.000 0.976 497 Q CA 1.940 57.825 55.803 0.136 0.000 0.875 497 Q CB -0.779 27.997 28.738 0.064 0.000 0.927 497 Q HN 0.619 nan 8.270 nan 0.000 0.450 498 K N -0.718 119.726 120.400 0.075 0.000 2.352 498 K HA 0.418 4.739 4.320 0.002 0.000 0.194 498 K C 2.470 179.179 176.600 0.180 0.000 1.038 498 K CA 0.482 56.820 56.287 0.084 0.000 1.023 498 K CB 0.315 32.873 32.500 0.096 0.000 0.840 498 K HN 0.375 nan 8.250 nan 0.000 0.519 499 A N 2.809 125.737 122.820 0.181 0.000 1.948 499 A HA -0.111 4.210 4.320 0.002 0.000 0.220 499 A C -0.728 177.090 177.584 0.389 0.000 1.177 499 A CA 1.323 53.506 52.037 0.244 0.000 0.636 499 A CB -1.210 17.817 19.000 0.045 0.000 0.815 499 A HN 0.159 nan 8.150 nan 0.000 0.449 500 P HA 0.088 nan 4.420 nan 0.000 0.257 500 P C 0.240 177.410 177.300 -0.216 0.000 1.325 500 P CA 0.009 63.099 63.100 -0.017 0.000 0.850 500 P CB -0.059 31.651 31.700 0.017 0.000 1.324 501 N N 0.185 118.917 118.700 0.054 0.000 2.443 501 N HA -0.167 4.574 4.740 0.002 0.000 0.184 501 N C 1.580 177.149 175.510 0.098 0.000 1.037 501 N CA 0.890 53.970 53.050 0.050 0.000 0.896 501 N CB -0.853 37.691 38.487 0.096 0.000 0.959 501 N HN 0.407 nan 8.380 nan 0.000 0.442 502 Y N 0.527 120.957 120.300 0.217 0.000 2.241 502 Y HA -0.094 4.457 4.550 0.002 0.000 0.286 502 Y C 1.908 177.916 175.900 0.180 0.000 1.166 502 Y CA 1.042 59.263 58.100 0.203 0.000 1.203 502 Y CB -0.742 37.820 38.460 0.170 0.000 0.977 502 Y HN -0.089 nan 8.280 nan 0.000 0.529 503 R N 0.580 120.795 120.500 -0.474 0.000 2.193 503 R HA -0.116 4.225 4.340 0.002 0.000 0.229 503 R C 1.336 177.665 176.300 0.047 0.000 1.110 503 R CA 1.121 57.095 56.100 -0.211 0.000 0.988 503 R CB -0.439 29.648 30.300 -0.356 0.000 0.871 503 R HN 0.445 nan 8.270 nan 0.000 0.458 504 N N 0.470 119.192 118.700 0.037 0.000 2.512 504 N HA -0.039 4.702 4.740 0.002 0.000 0.183 504 N C 1.154 176.677 175.510 0.022 0.000 1.073 504 N CA 0.872 53.943 53.050 0.035 0.000 0.911 504 N CB 0.286 38.809 38.487 0.060 0.000 0.964 504 N HN 0.272 nan 8.380 nan 0.000 0.447 505 L N -0.966 120.366 121.223 0.183 0.000 2.766 505 L HA 0.204 4.545 4.340 0.002 0.000 0.242 505 L C -0.133 177.061 176.870 0.540 0.000 1.136 505 L CA -0.338 54.680 54.840 0.297 0.000 0.933 505 L CB 0.102 42.288 42.059 0.211 0.000 1.241 505 L HN 0.006 nan 8.230 nan 0.000 0.522 506 Y N 0.664 121.172 120.300 0.347 0.000 2.436 506 Y HA 0.043 4.594 4.550 0.002 0.000 0.336 506 Y C -0.312 175.749 175.900 0.267 0.000 1.049 506 Y CA -0.264 58.001 58.100 0.275 0.000 1.294 506 Y CB 0.258 38.821 38.460 0.172 0.000 1.179 506 Y HN -0.032 nan 8.280 nan 0.000 0.520 507 Y N 10.673 130.659 120.300 -0.523 0.000 2.595 507 Y HA 0.308 4.859 4.550 0.002 0.000 0.347 507 Y C -1.854 173.650 175.900 -0.660 0.000 1.025 507 Y CA -3.767 53.843 58.100 -0.816 0.000 1.295 507 Y CB 0.706 38.523 38.460 -1.073 0.000 1.147 507 Y HN 0.550 nan 8.280 nan 0.000 0.515 508 P HA -0.142 nan 4.420 nan 0.000 0.216 508 P C 1.470 178.623 177.300 -0.246 0.000 1.153 508 P CA 2.354 65.431 63.100 -0.039 0.000 0.848 508 P CB 0.200 31.966 31.700 0.111 0.000 0.787 509 E N -0.254 119.727 120.200 -0.365 0.000 2.209 509 E HA -0.252 4.099 4.350 0.002 0.000 0.196 509 E C 1.782 177.817 176.600 -0.941 0.000 0.993 509 E CA 1.439 57.457 56.400 -0.635 0.000 0.819 509 E CB -1.563 27.681 29.700 -0.759 0.000 0.745 509 E HN 0.493 nan 8.360 nan 0.000 0.477 510 H N -2.216 116.334 119.070 -0.867 0.000 2.729 510 H HA 0.358 4.915 4.556 0.002 0.000 0.263 510 H C 1.748 176.710 175.328 -0.610 0.000 0.961 510 H CA 0.639 56.123 56.048 -0.940 0.000 1.217 510 H CB 1.341 29.973 29.762 -1.883 0.000 1.447 510 H HN 0.588 nan 8.280 nan 0.000 0.496 511 G N 0.823 109.279 108.800 -0.574 0.000 2.160 511 G HA2 -0.251 3.710 3.960 0.002 0.000 0.244 511 G HA3 -0.251 3.710 3.960 0.002 0.000 0.244 511 G C -0.341 174.059 174.900 -0.833 0.000 1.022 511 G CA 0.211 44.963 45.100 -0.579 0.000 0.741 511 G HN 0.247 nan 8.290 nan 0.000 0.508 512 F N -1.236 118.286 119.950 -0.713 0.000 2.643 512 F HA 0.730 5.258 4.527 0.002 0.000 0.314 512 F C 0.488 176.186 175.800 -0.170 0.000 1.096 512 F CA -1.397 56.429 58.000 -0.291 0.000 0.953 512 F CB 1.156 40.208 39.000 0.086 0.000 1.345 512 F HN -0.090 nan 8.300 nan 0.000 0.468 513 M N 1.903 121.755 119.600 0.419 0.000 2.245 513 M HA 0.021 4.502 4.480 0.002 0.000 0.344 513 M C -0.216 176.589 176.300 0.842 0.000 1.170 513 M CA 0.542 56.173 55.300 0.551 0.000 1.135 513 M CB 0.378 33.335 32.600 0.596 0.000 1.574 513 M HN 0.785 nan 8.290 nan 0.000 0.452 514 W N 0.515 122.082 121.300 0.446 0.000 4.081 514 W HA 0.424 5.085 4.660 0.002 0.000 0.400 514 W C -1.136 175.533 176.519 0.250 0.000 1.330 514 W CA -0.363 57.246 57.345 0.442 0.000 1.065 514 W CB 1.637 31.366 29.460 0.447 0.000 1.781 514 W HN 0.460 nan 8.180 nan 0.000 0.633 515 T N 1.470 115.960 114.554 -0.106 0.000 2.894 515 T HA 0.484 4.835 4.350 0.002 0.000 0.309 515 T C -1.563 173.035 174.700 -0.169 0.000 1.208 515 T CA -0.482 61.444 62.100 -0.291 0.000 1.016 515 T CB 1.898 70.401 68.868 -0.609 0.000 1.192 515 T HN 0.286 nan 8.240 nan 0.000 0.491 516 K N 2.083 122.292 120.400 -0.318 0.000 2.385 516 K HA 0.535 4.856 4.320 0.002 0.000 0.248 516 K C -0.750 175.771 176.600 -0.133 0.000 0.955 516 K CA -1.061 55.017 56.287 -0.348 0.000 0.816 516 K CB 1.465 33.505 32.500 -0.766 0.000 1.250 516 K HN 0.782 nan 8.250 nan 0.000 0.434 517 D N 0.283 120.621 120.400 -0.102 0.000 2.414 517 D HA 0.107 4.748 4.640 0.002 0.000 0.259 517 D C 0.741 176.995 176.300 -0.077 0.000 1.269 517 D CA -0.456 53.487 54.000 -0.096 0.000 1.028 517 D CB 0.352 41.094 40.800 -0.097 0.000 1.093 517 D HN 0.445 nan 8.370 nan 0.000 0.545 518 A N -0.791 121.926 122.820 -0.172 0.000 2.172 518 A HA -0.113 4.208 4.320 0.002 0.000 0.216 518 A C 1.682 179.220 177.584 -0.077 0.000 1.154 518 A CA 0.868 52.786 52.037 -0.198 0.000 0.701 518 A CB -0.553 18.307 19.000 -0.233 0.000 0.789 518 A HN 0.496 nan 8.150 nan 0.000 0.465 519 K N -1.493 118.873 120.400 -0.058 0.000 2.374 519 K HA 0.226 4.547 4.320 0.002 0.000 0.196 519 K C 0.979 177.549 176.600 -0.050 0.000 1.023 519 K CA 0.512 56.774 56.287 -0.042 0.000 1.103 519 K CB 0.216 32.693 32.500 -0.037 0.000 0.848 519 K HN 0.602 nan 8.250 nan 0.000 0.528 520 G N 1.866 110.632 108.800 -0.056 0.000 2.157 520 G HA2 -0.244 3.717 3.960 0.002 0.000 0.239 520 G HA3 -0.244 3.717 3.960 0.002 0.000 0.239 520 G C -0.433 174.293 174.900 -0.290 0.000 0.982 520 G CA -0.307 44.703 45.100 -0.150 0.000 0.650 520 G HN 0.391 nan 8.290 nan 0.000 0.527 521 N N 0.160 118.753 118.700 -0.179 0.000 2.470 521 N HA 0.415 5.156 4.740 0.002 0.000 0.268 521 N C 0.180 175.622 175.510 -0.113 0.000 1.136 521 N CA -0.455 52.525 53.050 -0.116 0.000 0.961 521 N CB 0.406 38.885 38.487 -0.013 0.000 1.067 521 N HN 0.403 nan 8.380 nan 0.000 0.468 522 W N 1.686 122.959 121.300 -0.044 0.000 2.193 522 W HA 0.076 4.737 4.660 0.002 0.000 0.338 522 W C 1.279 177.885 176.519 0.144 0.000 1.310 522 W CA -0.591 56.744 57.345 -0.016 0.000 1.243 522 W CB 0.354 29.748 29.460 -0.110 0.000 1.165 522 W HN 0.323 nan 8.180 nan 0.000 0.566 523 R N 2.815 123.567 120.500 0.420 0.000 2.640 523 R HA -0.062 4.279 4.340 0.002 0.000 0.270 523 R C -0.019 176.667 176.300 0.642 0.000 1.024 523 R CA -0.321 55.989 56.100 0.350 0.000 1.085 523 R CB 0.236 30.525 30.300 -0.019 0.000 0.963 523 R HN 0.386 nan 8.270 nan 0.000 0.426 524 D N 3.284 123.929 120.400 0.410 0.000 2.378 524 D HA 0.005 4.646 4.640 0.002 0.000 0.238 524 D C 0.055 176.586 176.300 0.386 0.000 1.180 524 D CA 0.571 54.783 54.000 0.352 0.000 0.895 524 D CB 0.454 41.385 40.800 0.219 0.000 1.192 524 D HN 0.430 nan 8.370 nan 0.000 0.438 525 R N 0.818 121.462 120.500 0.239 0.000 3.084 525 R HA -0.224 4.117 4.340 0.002 0.000 0.258 525 R C -0.449 175.842 176.300 -0.015 0.000 0.914 525 R CA 0.008 56.172 56.100 0.107 0.000 0.646 525 R CB -2.486 27.874 30.300 0.100 0.000 1.330 525 R HN 0.473 nan 8.270 nan 0.000 0.465 526 F N 1.752 121.429 119.950 -0.454 0.000 2.629 526 F HA 0.070 4.598 4.527 0.002 0.000 0.377 526 F C 0.556 175.857 175.800 -0.832 0.000 1.101 526 F CA 0.442 57.720 58.000 -1.203 0.000 1.301 526 F CB 0.432 38.337 39.000 -1.824 0.000 1.062 526 F HN 0.286 nan 8.300 nan 0.000 0.583 527 D N 4.809 124.036 120.400 -1.956 0.000 2.478 527 D HA 0.316 4.957 4.640 0.002 0.000 0.240 527 D C 0.211 175.753 176.300 -1.263 0.000 1.364 527 D CA 0.007 53.313 54.000 -1.157 0.000 0.987 527 D CB 1.456 41.997 40.800 -0.431 0.000 1.328 527 D HN 0.656 nan 8.370 nan 0.000 0.584 528 A N 2.448 124.513 122.820 -1.258 0.000 2.125 528 A HA -0.062 4.259 4.320 0.002 0.000 0.219 528 A C 1.655 178.955 177.584 -0.474 0.000 1.156 528 A CA 1.938 53.422 52.037 -0.922 0.000 0.671 528 A CB -0.373 17.999 19.000 -1.045 0.000 0.794 528 A HN 0.593 nan 8.150 nan 0.000 0.459 529 T N -2.885 111.456 114.554 -0.356 0.000 3.069 529 T HA 0.194 4.545 4.350 0.002 0.000 0.252 529 T C 0.411 175.130 174.700 0.030 0.000 1.053 529 T CA 0.161 62.156 62.100 -0.176 0.000 0.964 529 T CB -0.151 68.594 68.868 -0.205 0.000 1.005 529 T HN 0.500 nan 8.240 nan 0.000 0.532 530 E N 0.946 121.146 120.200 -0.000 0.000 2.180 530 E HA 0.225 4.576 4.350 0.002 0.000 0.283 530 E C -0.912 175.847 176.600 0.265 0.000 1.061 530 E CA -0.892 55.600 56.400 0.153 0.000 0.861 530 E CB 0.381 30.155 29.700 0.123 0.000 1.056 530 E HN 0.395 nan 8.360 nan 0.000 0.407 531 W N 3.397 124.732 121.300 0.058 0.000 2.129 531 W HA 0.434 5.095 4.660 0.002 0.000 0.349 531 W C 1.095 177.678 176.519 0.107 0.000 1.279 531 W CA 1.184 58.595 57.345 0.110 0.000 1.306 531 W CB 0.600 30.109 29.460 0.083 0.000 1.140 531 W HN 0.904 nan 8.180 nan 0.000 0.613 532 G N 0.219 109.206 108.800 0.312 0.000 2.584 532 G HA2 0.312 4.273 3.960 0.002 0.000 0.229 532 G HA3 0.312 4.273 3.960 0.002 0.000 0.229 532 G C 0.610 175.499 174.900 -0.020 0.000 1.320 532 G CA 0.235 45.431 45.100 0.160 0.000 0.891 532 G HN 1.893 nan 8.290 nan 0.000 0.573 533 G N -0.531 108.193 108.800 -0.127 0.000 2.602 533 G HA2 -0.143 3.818 3.960 0.002 0.000 0.310 533 G HA3 -0.143 3.818 3.960 0.002 0.000 0.310 533 G C -0.221 174.151 174.900 -0.880 0.000 1.183 533 G CA 1.865 46.661 45.100 -0.506 0.000 0.979 533 G HN 1.577 nan 8.290 nan 0.000 0.545 534 P HA 0.223 nan 4.420 nan 0.000 0.241 534 P C 0.168 176.850 177.300 -1.031 0.000 1.191 534 P CA 0.751 63.141 63.100 -1.183 0.000 0.771 534 P CB -0.023 30.854 31.700 -1.372 0.000 0.929 535 F N -0.438 119.235 119.950 -0.462 0.000 2.497 535 F HA 0.462 4.990 4.527 0.002 0.000 0.331 535 F C 0.966 176.561 175.800 -0.342 0.000 1.060 535 F CA -0.635 57.071 58.000 -0.491 0.000 0.989 535 F CB 0.958 39.767 39.000 -0.317 0.000 1.245 535 F HN -0.464 nan 8.300 nan 0.000 0.486 536 T N 1.806 116.286 114.554 -0.123 0.000 2.791 536 T HA 0.254 4.605 4.350 0.002 0.000 0.288 536 T C -0.483 174.436 174.700 0.365 0.000 0.999 536 T CA -0.570 61.568 62.100 0.064 0.000 0.952 536 T CB 0.718 69.568 68.868 -0.030 0.000 0.938 536 T HN 0.579 nan 8.240 nan 0.000 0.444 537 E N 0.896 121.249 120.200 0.254 0.000 2.586 537 E HA -0.187 4.164 4.350 0.002 0.000 0.259 537 E C 0.346 176.800 176.600 -0.243 0.000 1.107 537 E CA 1.137 57.700 56.400 0.271 0.000 0.754 537 E CB -1.419 28.505 29.700 0.374 0.000 1.335 537 E HN 1.055 nan 8.360 nan 0.000 0.411 538 G N -1.122 107.234 108.800 -0.740 0.000 2.320 538 G HA2 0.486 4.447 3.960 0.002 0.000 0.296 538 G HA3 0.486 4.447 3.960 0.002 0.000 0.296 538 G C -0.801 173.608 174.900 -0.817 0.000 1.306 538 G CA 0.043 44.431 45.100 -1.188 0.000 0.836 538 G HN 0.480 nan 8.290 nan 0.000 0.517 539 S N -1.726 113.719 115.700 -0.424 0.000 2.810 539 S HA 0.713 5.184 4.470 0.002 0.000 0.315 539 S C 1.352 175.498 174.600 -0.756 0.000 1.138 539 S CA 0.687 58.544 58.200 -0.572 0.000 0.889 539 S CB 1.326 64.316 63.200 -0.350 0.000 1.236 539 S HN 1.546 nan 8.310 nan 0.000 0.548 540 S N -0.316 114.781 115.700 -1.004 0.000 2.400 540 S HA -0.129 4.342 4.470 0.002 0.000 0.232 540 S C 1.343 175.905 174.600 -0.064 0.000 1.025 540 S CA 1.415 59.279 58.200 -0.561 0.000 0.993 540 S CB -0.753 62.414 63.200 -0.056 0.000 0.808 540 S HN 0.708 nan 8.310 nan 0.000 0.478 541 W N 1.776 122.861 121.300 -0.358 0.000 2.325 541 W HA -0.198 4.463 4.660 0.002 0.000 0.299 541 W C 1.789 178.247 176.519 -0.102 0.000 1.215 541 W CA 1.917 59.137 57.345 -0.209 0.000 1.244 541 W CB -0.450 28.752 29.460 -0.430 0.000 1.140 541 W HN 0.587 nan 8.180 nan 0.000 0.523 542 H N -2.462 116.708 119.070 0.166 0.000 2.370 542 H HA -0.066 4.492 4.556 0.002 0.000 0.304 542 H C 1.918 177.275 175.328 0.047 0.000 1.055 542 H CA 1.265 57.354 56.048 0.068 0.000 1.373 542 H CB -1.335 28.338 29.762 -0.149 0.000 1.423 542 H HN 0.194 nan 8.280 nan 0.000 0.533 543 W N 1.934 123.329 121.300 0.158 0.000 2.465 543 W HA -0.083 4.578 4.660 0.002 0.000 0.268 543 W C 2.242 178.876 176.519 0.191 0.000 1.242 543 W CA 1.121 58.594 57.345 0.213 0.000 1.248 543 W CB -0.237 29.382 29.460 0.265 0.000 1.118 543 W HN 0.054 nan 8.180 nan 0.000 0.587 544 T N -1.028 113.666 114.554 0.234 0.000 2.929 544 T HA -0.225 4.126 4.350 0.002 0.000 0.271 544 T C 0.790 175.343 174.700 -0.245 0.000 1.085 544 T CA 1.289 63.389 62.100 0.000 0.000 1.125 544 T CB -0.458 68.316 68.868 -0.156 0.000 0.874 544 T HN 0.262 nan 8.240 nan 0.000 0.494 545 W N 1.024 122.369 121.300 0.075 0.000 3.256 545 W HA 0.323 4.984 4.660 0.002 0.000 0.269 545 W C 1.595 178.210 176.519 0.161 0.000 1.310 545 W CA -0.482 56.890 57.345 0.046 0.000 1.673 545 W CB 0.043 29.476 29.460 -0.044 0.000 1.115 545 W HN -0.007 nan 8.180 nan 0.000 0.686 546 S N 1.482 117.350 115.700 0.281 0.000 4.085 546 S HA 0.241 4.712 4.470 0.002 0.000 0.189 546 S C -0.057 174.395 174.600 -0.247 0.000 1.392 546 S CA 0.003 58.293 58.200 0.150 0.000 0.972 546 S CB -0.709 62.684 63.200 0.322 0.000 1.482 546 S HN -0.057 nan 8.310 nan 0.000 0.446 547 V N 5.244 124.930 119.914 -0.380 0.000 2.502 547 V HA 0.229 4.350 4.120 0.002 0.000 0.261 547 V C 0.113 175.830 176.094 -0.628 0.000 0.996 547 V CA -0.602 61.302 62.300 -0.661 0.000 1.095 547 V CB -0.337 31.003 31.823 -0.805 0.000 1.325 547 V HN 0.734 nan 8.190 nan 0.000 0.574 548 F N -0.464 119.296 119.950 -0.317 0.000 2.710 548 F HA 0.074 4.602 4.527 0.002 0.000 0.298 548 F C 2.131 177.765 175.800 -0.277 0.000 1.137 548 F CA 0.567 58.326 58.000 -0.401 0.000 1.444 548 F CB -0.663 37.987 39.000 -0.582 0.000 1.111 548 F HN 0.562 nan 8.300 nan 0.000 0.580 549 H N -1.291 117.566 119.070 -0.355 0.000 2.551 549 H HA 0.139 4.696 4.556 0.002 0.000 0.266 549 H C -0.383 174.768 175.328 -0.296 0.000 0.977 549 H CA 0.808 56.553 56.048 -0.506 0.000 1.163 549 H CB -0.188 28.954 29.762 -1.034 0.000 1.381 549 H HN 0.297 nan 8.280 nan 0.000 0.581 550 D N 0.146 120.166 120.400 -0.634 0.000 3.220 550 D HA 0.199 4.840 4.640 0.002 0.000 0.309 550 D C -2.112 173.963 176.300 -0.376 0.000 1.276 550 D CA -1.713 52.019 54.000 -0.446 0.000 0.736 550 D CB 0.813 41.360 40.800 -0.422 0.000 1.304 550 D HN 0.002 nan 8.370 nan 0.000 0.582 551 P HA -0.147 nan 4.420 nan 0.000 0.216 551 P C 1.271 178.483 177.300 -0.147 0.000 1.150 551 P CA 0.995 63.934 63.100 -0.268 0.000 0.837 551 P CB 0.540 31.979 31.700 -0.436 0.000 0.786 552 E N -0.144 120.009 120.200 -0.078 0.000 2.077 552 E HA -0.115 4.236 4.350 0.002 0.000 0.193 552 E C 2.182 178.777 176.600 -0.008 0.000 0.989 552 E CA 1.866 58.272 56.400 0.011 0.000 0.800 552 E CB -1.392 28.337 29.700 0.049 0.000 0.746 552 E HN 0.130 nan 8.360 nan 0.000 0.452 553 G N 0.498 109.285 108.800 -0.023 0.000 2.408 553 G HA2 -0.222 3.739 3.960 0.002 0.000 0.217 553 G HA3 -0.222 3.739 3.960 0.002 0.000 0.217 553 G C 1.494 176.406 174.900 0.020 0.000 1.150 553 G CA 0.847 45.983 45.100 0.059 0.000 0.776 553 G HN 0.344 nan 8.290 nan 0.000 0.542 554 L N 1.899 123.051 121.223 -0.118 0.000 2.046 554 L HA -0.042 4.299 4.340 0.002 0.000 0.208 554 L C 3.124 179.881 176.870 -0.188 0.000 1.077 554 L CA 2.504 57.227 54.840 -0.193 0.000 0.747 554 L CB -0.704 41.189 42.059 -0.276 0.000 0.896 554 L HN 0.330 nan 8.230 nan 0.000 0.432 555 S N -1.362 114.276 115.700 -0.104 0.000 2.399 555 S HA -0.221 4.250 4.470 0.002 0.000 0.231 555 S C 1.793 176.350 174.600 -0.071 0.000 1.022 555 S CA 1.274 59.443 58.200 -0.052 0.000 0.983 555 S CB -0.675 62.578 63.200 0.088 0.000 0.803 555 S HN 0.637 nan 8.310 nan 0.000 0.480 556 E N 1.260 121.419 120.200 -0.069 0.000 2.051 556 E HA -0.067 4.284 4.350 0.002 0.000 0.192 556 E C 2.127 178.639 176.600 -0.147 0.000 0.991 556 E CA 1.487 57.838 56.400 -0.081 0.000 0.799 556 E CB -0.421 29.247 29.700 -0.052 0.000 0.748 556 E HN 0.525 nan 8.360 nan 0.000 0.449 557 L N 0.181 121.253 121.223 -0.251 0.000 2.042 557 L HA -0.203 4.138 4.340 0.002 0.000 0.210 557 L C 2.482 179.087 176.870 -0.441 0.000 1.076 557 L CA 1.127 55.662 54.840 -0.509 0.000 0.749 557 L CB -0.306 41.153 42.059 -1.001 0.000 0.893 557 L HN 0.230 nan 8.230 nan 0.000 0.432 558 M N -1.087 118.317 119.600 -0.326 0.000 2.619 558 M HA 0.047 4.528 4.480 0.002 0.000 0.251 558 M C 1.332 177.576 176.300 -0.092 0.000 1.106 558 M CA 0.978 56.173 55.300 -0.175 0.000 1.086 558 M CB 0.123 32.606 32.600 -0.194 0.000 1.465 558 M HN 0.493 nan 8.290 nan 0.000 0.506 559 G N 0.314 109.062 108.800 -0.087 0.000 2.179 559 G HA2 -0.026 3.935 3.960 0.002 0.000 0.220 559 G HA3 -0.026 3.935 3.960 0.002 0.000 0.220 559 G C 0.307 175.182 174.900 -0.042 0.000 0.990 559 G CA -0.281 44.787 45.100 -0.053 0.000 0.646 559 G HN 0.895 nan 8.290 nan 0.000 0.517 560 G N -2.023 106.755 108.800 -0.036 0.000 2.353 560 G HA2 0.243 4.204 3.960 0.002 0.000 0.424 560 G HA3 0.243 4.204 3.960 0.002 0.000 0.424 560 G C 0.119 175.064 174.900 0.075 0.000 1.320 560 G CA 0.369 45.456 45.100 -0.022 0.000 0.995 560 G HN 0.621 nan 8.290 nan 0.000 0.580 561 H N -0.233 118.824 119.070 -0.022 0.000 2.352 561 H HA -0.100 4.457 4.556 0.002 0.000 0.299 561 H C 2.378 177.701 175.328 -0.009 0.000 1.097 561 H CA 1.649 57.682 56.048 -0.026 0.000 1.311 561 H CB 0.376 30.127 29.762 -0.018 0.000 1.377 561 H HN 0.624 nan 8.280 nan 0.000 0.504 562 E N 0.715 120.995 120.200 0.133 0.000 2.038 562 E HA -0.141 4.210 4.350 0.002 0.000 0.195 562 E C -0.639 175.998 176.600 0.060 0.000 1.000 562 E CA 1.253 57.706 56.400 0.087 0.000 0.803 562 E CB -0.403 29.335 29.700 0.064 0.000 0.750 562 E HN 0.375 nan 8.360 nan 0.000 0.448 563 P HA -0.133 nan 4.420 nan 0.000 0.218 563 P C 1.495 178.801 177.300 0.009 0.000 1.149 563 P CA 1.242 64.349 63.100 0.011 0.000 0.817 563 P CB -0.152 31.538 31.700 -0.017 0.000 0.785 564 M N -1.086 118.526 119.600 0.019 0.000 2.132 564 M HA -0.106 4.375 4.480 0.002 0.000 0.263 564 M C 1.878 178.203 176.300 0.041 0.000 1.065 564 M CA 1.796 57.117 55.300 0.035 0.000 1.122 564 M CB -0.512 32.102 32.600 0.023 0.000 1.365 564 M HN -0.189 nan 8.290 nan 0.000 0.411 565 I N 0.625 121.213 120.570 0.030 0.000 2.264 565 I HA -0.272 3.899 4.170 0.002 0.000 0.248 565 I C 2.612 178.793 176.117 0.106 0.000 1.111 565 I CA 1.323 62.663 61.300 0.066 0.000 1.382 565 I CB -0.597 37.474 38.000 0.119 0.000 1.060 565 I HN 0.393 nan 8.210 nan 0.000 0.418 566 A N 0.738 123.607 122.820 0.082 0.000 1.930 566 A HA -0.173 4.148 4.320 0.002 0.000 0.217 566 A C 2.379 180.000 177.584 0.061 0.000 1.175 566 A CA 1.351 53.435 52.037 0.079 0.000 0.627 566 A CB -0.471 18.565 19.000 0.060 0.000 0.815 566 A HN 0.329 nan 8.150 nan 0.000 0.443 567 R N -0.643 119.887 120.500 0.050 0.000 2.115 567 R HA 0.084 4.425 4.340 0.002 0.000 0.226 567 R C 1.962 178.243 176.300 -0.033 0.000 1.100 567 R CA 1.042 57.172 56.100 0.051 0.000 0.980 567 R CB -0.412 29.931 30.300 0.072 0.000 0.875 567 R HN 0.472 nan 8.270 nan 0.000 0.445 568 L N 0.721 121.869 121.223 -0.125 0.000 2.056 568 L HA -0.187 4.154 4.340 0.002 0.000 0.207 568 L C 1.667 178.398 176.870 -0.232 0.000 1.078 568 L CA 1.163 55.736 54.840 -0.446 0.000 0.749 568 L CB -0.394 41.283 42.059 -0.636 0.000 0.901 568 L HN 0.115 nan 8.230 nan 0.000 0.433 569 D N -0.332 120.106 120.400 0.065 0.000 2.149 569 D HA -0.169 4.472 4.640 0.002 0.000 0.198 569 D C 2.295 178.617 176.300 0.036 0.000 0.990 569 D CA 1.684 55.774 54.000 0.150 0.000 0.839 569 D CB -0.129 40.782 40.800 0.186 0.000 0.948 569 D HN 0.326 nan 8.370 nan 0.000 0.460 570 S N -0.959 114.747 115.700 0.009 0.000 2.603 570 S HA -0.000 4.471 4.470 0.002 0.000 0.229 570 S C 1.761 176.403 174.600 0.069 0.000 0.972 570 S CA 0.311 58.561 58.200 0.083 0.000 0.935 570 S CB -0.106 63.197 63.200 0.172 0.000 0.769 570 S HN 0.177 nan 8.310 nan 0.000 0.536 571 M N -0.449 118.997 119.600 -0.256 0.000 2.552 571 M HA 0.316 4.797 4.480 0.002 0.000 0.264 571 M C 0.239 176.264 176.300 -0.459 0.000 1.159 571 M CA 0.823 55.865 55.300 -0.429 0.000 1.176 571 M CB 0.167 32.124 32.600 -1.070 0.000 1.327 571 M HN 0.370 nan 8.290 nan 0.000 0.481 572 F N 0.093 119.960 119.950 -0.138 0.000 2.639 572 F HA 0.333 4.861 4.527 0.002 0.000 0.302 572 F C 0.985 176.797 175.800 0.019 0.000 1.097 572 F CA -1.024 56.842 58.000 -0.223 0.000 1.294 572 F CB -1.485 36.992 39.000 -0.872 0.000 1.027 572 F HN -0.187 nan 8.300 nan 0.000 0.550 573 V N 1.188 121.210 119.914 0.179 0.000 2.928 573 V HA 0.418 4.539 4.120 0.002 0.000 0.307 573 V C 0.918 177.133 176.094 0.202 0.000 1.105 573 V CA -0.343 62.075 62.300 0.196 0.000 1.223 573 V CB -0.318 31.583 31.823 0.129 0.000 0.930 573 V HN 0.297 nan 8.190 nan 0.000 0.499 574 A N 4.851 127.781 122.820 0.183 0.000 2.448 574 A HA 0.590 4.911 4.320 0.002 0.000 0.239 574 A C -0.465 177.173 177.584 0.090 0.000 1.080 574 A CA 0.040 52.164 52.037 0.144 0.000 0.779 574 A CB -0.803 18.259 19.000 0.103 0.000 1.026 574 A HN 1.774 nan 8.150 nan 0.000 0.499 575 P HA 0.291 nan 4.420 nan 0.000 0.271 575 P C -0.377 176.916 177.300 -0.011 0.000 1.218 575 P CA -0.111 63.016 63.100 0.044 0.000 0.780 575 P CB 0.272 32.006 31.700 0.056 0.000 0.901 576 N N 0.759 119.417 118.700 -0.070 0.000 2.419 576 N HA 0.235 4.976 4.740 0.002 0.000 0.264 576 N C 0.996 176.360 175.510 -0.243 0.000 1.031 576 N CA 0.735 53.629 53.050 -0.260 0.000 0.951 576 N CB 0.900 39.110 38.487 -0.463 0.000 1.101 576 N HN 0.397 nan 8.380 nan 0.000 0.488 577 T N 0.630 115.091 114.554 -0.154 0.000 3.044 577 T HA 0.165 4.516 4.350 0.002 0.000 0.260 577 T C 0.680 175.565 174.700 0.309 0.000 1.019 577 T CA -0.112 62.069 62.100 0.135 0.000 0.921 577 T CB -0.301 68.648 68.868 0.135 0.000 1.053 577 T HN 0.487 nan 8.240 nan 0.000 0.533 578 Y N 2.205 122.586 120.300 0.133 0.000 2.835 578 Y HA -0.365 4.186 4.550 0.002 0.000 0.470 578 Y C 1.411 177.273 175.900 -0.063 0.000 1.154 578 Y CA 1.683 59.805 58.100 0.037 0.000 2.680 578 Y CB -1.551 36.941 38.460 0.052 0.000 1.184 578 Y HN 0.286 nan 8.280 nan 0.000 0.622 579 N N -0.725 117.935 118.700 -0.066 0.000 2.214 579 N HA 0.131 4.872 4.740 0.002 0.000 0.214 579 N C 0.458 175.868 175.510 -0.168 0.000 1.132 579 N CA 0.289 53.246 53.050 -0.154 0.000 0.856 579 N CB -0.023 38.341 38.487 -0.205 0.000 1.020 579 N HN 0.474 nan 8.380 nan 0.000 0.509 580 Y N 0.019 120.386 120.300 0.111 0.000 2.544 580 Y HA 0.190 4.741 4.550 0.002 0.000 0.286 580 Y C 2.320 178.255 175.900 0.060 0.000 1.141 580 Y CA 0.176 58.324 58.100 0.081 0.000 1.299 580 Y CB -0.276 38.243 38.460 0.099 0.000 1.030 580 Y HN 0.041 nan 8.280 nan 0.000 0.543 581 G N -0.411 108.491 108.800 0.170 0.000 2.535 581 G HA2 -0.252 3.709 3.960 0.002 0.000 0.218 581 G HA3 -0.252 3.709 3.960 0.002 0.000 0.218 581 G C 1.812 176.757 174.900 0.075 0.000 1.122 581 G CA 1.332 46.497 45.100 0.108 0.000 0.769 581 G HN 0.462 nan 8.290 nan 0.000 0.549 582 T N -0.564 114.028 114.554 0.064 0.000 2.929 582 T HA -0.001 4.350 4.350 0.002 0.000 0.271 582 T C 2.098 176.829 174.700 0.052 0.000 1.085 582 T CA 1.931 64.057 62.100 0.044 0.000 1.125 582 T CB -0.631 68.253 68.868 0.026 0.000 0.874 582 T HN 0.679 nan 8.240 nan 0.000 0.494 583 Y N 0.751 121.096 120.300 0.075 0.000 2.516 583 Y HA 0.440 4.991 4.550 0.002 0.000 0.291 583 Y C 1.628 177.559 175.900 0.052 0.000 1.131 583 Y CA 0.287 58.427 58.100 0.067 0.000 1.281 583 Y CB -0.456 38.055 38.460 0.085 0.000 1.013 583 Y HN 0.955 nan 8.280 nan 0.000 0.554 584 G N -4.039 104.793 108.800 0.053 0.000 2.359 584 G HA2 0.381 4.342 3.960 0.002 0.000 0.303 584 G HA3 0.381 4.342 3.960 0.002 0.000 0.303 584 G C 0.294 175.220 174.900 0.044 0.000 1.293 584 G CA -0.329 44.796 45.100 0.042 0.000 0.964 584 G HN 1.366 nan 8.290 nan 0.000 0.531 585 F N -0.263 119.709 119.950 0.036 0.000 2.502 585 F HA 0.501 5.029 4.527 0.002 0.000 0.298 585 F C 3.089 178.911 175.800 0.037 0.000 1.111 585 F CA 2.332 60.354 58.000 0.036 0.000 1.445 585 F CB -0.883 38.135 39.000 0.030 0.000 1.081 585 F HN 1.619 nan 8.300 nan 0.000 0.558 586 V N 0.589 120.524 119.914 0.035 0.000 2.867 586 V HA 0.006 4.127 4.120 0.002 0.000 0.260 586 V C 2.579 178.696 176.094 0.038 0.000 1.099 586 V CA 2.766 65.086 62.300 0.032 0.000 1.122 586 V CB -1.663 30.176 31.823 0.028 0.000 0.708 586 V HN 0.765 nan 8.190 nan 0.000 0.490 587 I N -0.500 120.100 120.570 0.050 0.000 2.286 587 I HA -0.037 4.134 4.170 0.002 0.000 0.245 587 I C 2.580 178.733 176.117 0.061 0.000 1.104 587 I CA 2.769 64.106 61.300 0.063 0.000 1.397 587 I CB -1.949 36.110 38.000 0.098 0.000 1.072 587 I HN 0.810 nan 8.210 nan 0.000 0.417 588 H N -0.019 119.086 119.070 0.058 0.000 2.495 588 H HA 0.233 4.790 4.556 0.002 0.000 0.287 588 H C 2.267 177.625 175.328 0.050 0.000 1.033 588 H CA 2.582 58.663 56.048 0.056 0.000 1.307 588 H CB -0.788 29.006 29.762 0.054 0.000 1.401 588 H HN 0.852 nan 8.280 nan 0.000 0.555 589 E N 0.224 120.450 120.200 0.042 0.000 2.033 589 E HA 0.095 4.446 4.350 0.002 0.000 0.189 589 E C 2.644 179.263 176.600 0.031 0.000 0.979 589 E CA 1.895 58.316 56.400 0.035 0.000 0.802 589 E CB -1.283 28.433 29.700 0.028 0.000 0.763 589 E HN 1.148 nan 8.360 nan 0.000 0.449 590 I N 1.204 121.790 120.570 0.027 0.000 2.335 590 I HA 0.262 4.433 4.170 0.002 0.000 0.251 590 I C 2.915 179.046 176.117 0.024 0.000 1.129 590 I CA 2.520 63.832 61.300 0.019 0.000 1.402 590 I CB -1.519 36.487 38.000 0.010 0.000 1.069 590 I HN 0.588 nan 8.210 nan 0.000 0.424 591 A N -1.065 121.777 122.820 0.036 0.000 2.014 591 A HA -0.144 4.177 4.320 0.002 0.000 0.218 591 A C 2.218 179.832 177.584 0.049 0.000 1.163 591 A CA 1.435 53.499 52.037 0.045 0.000 0.652 591 A CB -0.577 18.459 19.000 0.060 0.000 0.808 591 A HN 0.764 nan 8.150 nan 0.000 0.449 592 E N -0.646 119.584 120.200 0.051 0.000 2.158 592 E HA -0.082 4.269 4.350 0.002 0.000 0.191 592 E C 1.964 178.596 176.600 0.053 0.000 0.982 592 E CA 0.597 57.034 56.400 0.061 0.000 0.823 592 E CB -0.159 29.580 29.700 0.065 0.000 0.766 592 E HN 0.620 nan 8.360 nan 0.000 0.468 593 M N 0.075 119.697 119.600 0.038 0.000 2.106 593 M HA -0.223 4.258 4.480 0.002 0.000 0.259 593 M C 2.278 178.594 176.300 0.027 0.000 1.068 593 M CA 1.246 56.562 55.300 0.027 0.000 1.100 593 M CB -0.252 32.357 32.600 0.016 0.000 1.351 593 M HN 0.104 nan 8.290 nan 0.000 0.404 594 V N 0.332 120.263 119.914 0.029 0.000 2.287 594 V HA -0.295 3.826 4.120 0.002 0.000 0.248 594 V C 2.622 178.734 176.094 0.030 0.000 1.053 594 V CA 2.123 64.438 62.300 0.024 0.000 1.027 594 V CB -1.219 30.622 31.823 0.029 0.000 0.646 594 V HN 0.553 nan 8.190 nan 0.000 0.447 595 A N -0.361 122.488 122.820 0.049 0.000 1.908 595 A HA -0.182 4.139 4.320 0.002 0.000 0.218 595 A C 2.208 179.831 177.584 0.065 0.000 1.181 595 A CA 1.966 54.041 52.037 0.063 0.000 0.627 595 A CB -0.562 18.494 19.000 0.093 0.000 0.818 595 A HN 0.514 nan 8.150 nan 0.000 0.445 596 L N -0.357 120.905 121.223 0.065 0.000 2.056 596 L HA -0.186 4.155 4.340 0.002 0.000 0.207 596 L C 2.258 179.140 176.870 0.021 0.000 1.078 596 L CA 1.226 56.099 54.840 0.056 0.000 0.749 596 L CB -0.604 41.483 42.059 0.047 0.000 0.901 596 L HN 0.342 nan 8.230 nan 0.000 0.433 597 N N -0.102 118.603 118.700 0.008 0.000 2.244 597 N HA -0.167 4.574 4.740 0.002 0.000 0.183 597 N C 1.988 177.483 175.510 -0.025 0.000 1.016 597 N CA 1.999 55.041 53.050 -0.014 0.000 0.866 597 N CB -0.269 38.209 38.487 -0.015 0.000 0.980 597 N HN 0.365 nan 8.380 nan 0.000 0.430 598 M N -0.435 119.156 119.600 -0.015 0.000 2.419 598 M HA 0.312 4.793 4.480 0.002 0.000 0.264 598 M C 1.494 177.777 176.300 -0.028 0.000 1.082 598 M CA 1.446 56.726 55.300 -0.033 0.000 1.119 598 M CB -1.259 31.322 32.600 -0.032 0.000 1.398 598 M HN 0.259 nan 8.290 nan 0.000 0.453 599 G N -1.290 107.515 108.800 0.010 0.000 2.204 599 G HA2 0.073 4.034 3.960 0.002 0.000 0.244 599 G HA3 0.073 4.034 3.960 0.002 0.000 0.244 599 G C 0.612 175.570 174.900 0.095 0.000 1.062 599 G CA 1.229 46.359 45.100 0.050 0.000 0.798 599 G HN 1.727 nan 8.290 nan 0.000 0.496 600 Q N -1.224 118.638 119.800 0.103 0.000 2.084 600 Q HA 0.144 4.485 4.340 0.002 0.000 0.202 600 Q C 1.380 177.616 176.000 0.392 0.000 0.978 600 Q CA 1.740 57.652 55.803 0.183 0.000 0.844 600 Q CB -0.086 28.747 28.738 0.159 0.000 0.898 600 Q HN 1.600 nan 8.270 nan 0.000 0.426 601 Y N 0.280 120.674 120.300 0.156 0.000 2.369 601 Y HA 0.580 5.131 4.550 0.002 0.000 0.337 601 Y C -0.107 175.901 175.900 0.180 0.000 0.961 601 Y CA -2.105 56.081 58.100 0.143 0.000 1.186 601 Y CB 1.067 39.621 38.460 0.157 0.000 1.139 601 Y HN 0.200 nan 8.280 nan 0.000 0.494 602 A N 5.873 128.605 122.820 -0.146 0.000 3.078 602 A HA 0.169 4.490 4.320 0.002 0.000 0.279 602 A C -0.587 176.634 177.584 -0.604 0.000 1.594 602 A CA -0.467 51.435 52.037 -0.225 0.000 1.301 602 A CB -1.388 17.631 19.000 0.032 0.000 1.162 602 A HN 0.885 nan 8.150 nan 0.000 0.585 603 H N 0.722 119.157 119.070 -1.058 0.000 3.070 603 H HA 0.318 4.875 4.556 0.002 0.000 0.313 603 H C 1.454 176.492 175.328 -0.484 0.000 0.997 603 H CA 1.719 57.188 56.048 -0.965 0.000 1.438 603 H CB 0.316 29.689 29.762 -0.648 0.000 1.455 603 H HN 0.958 nan 8.280 nan 0.000 0.575 604 G N 3.523 111.787 108.800 -0.893 0.000 2.284 604 G HA2 -0.300 3.661 3.960 0.002 0.000 0.216 604 G HA3 -0.300 3.661 3.960 0.002 0.000 0.216 604 G C 0.496 175.187 174.900 -0.347 0.000 1.009 604 G CA -0.015 44.733 45.100 -0.587 0.000 0.625 604 G HN 0.859 nan 8.290 nan 0.000 0.501 605 N N 0.990 119.500 118.700 -0.318 0.000 2.440 605 N HA 0.377 5.118 4.740 0.002 0.000 0.265 605 N C 1.613 176.968 175.510 -0.258 0.000 1.239 605 N CA 0.364 53.262 53.050 -0.252 0.000 0.909 605 N CB 0.522 38.795 38.487 -0.356 0.000 1.066 605 N HN 0.368 nan 8.380 nan 0.000 0.474 606 Q N 3.943 123.597 119.800 -0.243 0.000 2.045 606 Q HA -0.145 4.197 4.340 0.002 0.000 0.206 606 Q C -0.848 174.967 176.000 -0.308 0.000 0.991 606 Q CA 1.915 57.504 55.803 -0.357 0.000 0.851 606 Q CB -0.763 27.586 28.738 -0.648 0.000 0.911 606 Q HN 0.703 nan 8.270 nan 0.000 0.418 607 P HA -0.077 nan 4.420 nan 0.000 0.230 607 P C 0.495 177.830 177.300 0.058 0.000 1.158 607 P CA 1.217 64.145 63.100 -0.287 0.000 0.769 607 P CB 0.100 31.242 31.700 -0.929 0.000 0.807 608 V N -5.018 114.881 119.914 -0.025 0.000 3.427 608 V HA 0.223 4.344 4.120 0.002 0.000 0.305 608 V C 2.061 178.151 176.094 -0.007 0.000 1.412 608 V CA -0.020 62.269 62.300 -0.019 0.000 1.086 608 V CB -0.733 31.093 31.823 0.006 0.000 0.964 608 V HN -0.114 nan 8.190 nan 0.000 0.439 609 Q N 1.451 121.254 119.800 0.004 0.000 2.181 609 Q HA -0.206 4.135 4.340 0.002 0.000 0.205 609 Q C 2.113 178.236 176.000 0.204 0.000 0.980 609 Q CA 2.200 58.008 55.803 0.008 0.000 0.862 609 Q CB -0.281 28.444 28.738 -0.022 0.000 0.905 609 Q HN 1.029 nan 8.270 nan 0.000 0.429 610 H N -1.820 117.309 119.070 0.097 0.000 2.548 610 H HA 0.290 4.847 4.556 0.002 0.000 0.265 610 H C 1.586 177.004 175.328 0.150 0.000 0.969 610 H CA 0.746 56.875 56.048 0.135 0.000 1.155 610 H CB 0.012 29.834 29.762 0.100 0.000 1.394 610 H HN 0.175 nan 8.280 nan 0.000 0.570 611 A N 2.020 124.518 122.820 -0.537 0.000 1.969 611 A HA -0.018 4.303 4.320 0.002 0.000 0.218 611 A C 2.532 179.920 177.584 -0.326 0.000 1.169 611 A CA 0.947 52.599 52.037 -0.642 0.000 0.635 611 A CB -0.775 17.780 19.000 -0.741 0.000 0.810 611 A HN 0.378 nan 8.150 nan 0.000 0.445 612 I N -1.715 118.732 120.570 -0.204 0.000 2.423 612 I HA -0.281 3.890 4.170 0.002 0.000 0.254 612 I C 1.755 177.717 176.117 -0.258 0.000 1.151 612 I CA 1.297 62.364 61.300 -0.388 0.000 1.421 612 I CB -0.289 37.380 38.000 -0.551 0.000 1.079 612 I HN 0.426 nan 8.210 nan 0.000 0.431 613 Y N 0.054 120.322 120.300 -0.054 0.000 2.546 613 Y HA 0.029 4.580 4.550 0.002 0.000 0.287 613 Y C 2.095 178.089 175.900 0.156 0.000 1.158 613 Y CA 0.309 58.461 58.100 0.087 0.000 1.307 613 Y CB -0.180 38.376 38.460 0.159 0.000 1.036 613 Y HN 0.104 nan 8.280 nan 0.000 0.532 614 L N -1.530 119.728 121.223 0.059 0.000 2.275 614 L HA -0.217 4.124 4.340 0.002 0.000 0.215 614 L C 1.529 178.390 176.870 -0.014 0.000 1.119 614 L CA 1.018 55.843 54.840 -0.026 0.000 0.790 614 L CB -0.565 41.346 42.059 -0.246 0.000 0.919 614 L HN 0.281 nan 8.230 nan 0.000 0.443 615 Y N -0.105 120.173 120.300 -0.036 0.000 2.384 615 Y HA -0.261 4.290 4.550 0.002 0.000 0.289 615 Y C 2.232 178.049 175.900 -0.139 0.000 1.152 615 Y CA 0.988 59.003 58.100 -0.141 0.000 1.258 615 Y CB -0.526 37.810 38.460 -0.206 0.000 0.979 615 Y HN 0.216 nan 8.280 nan 0.000 0.549 616 D N -1.364 119.134 120.400 0.163 0.000 2.263 616 D HA -0.165 4.476 4.640 0.002 0.000 0.208 616 D C 1.238 177.439 176.300 -0.165 0.000 0.971 616 D CA 1.303 55.339 54.000 0.061 0.000 0.867 616 D CB -0.270 40.600 40.800 0.117 0.000 0.929 616 D HN 0.466 nan 8.370 nan 0.000 0.492 617 Y N -0.227 119.912 120.300 -0.269 0.000 2.478 617 Y HA 0.195 4.746 4.550 0.002 0.000 0.261 617 Y C 1.811 177.023 175.900 -1.147 0.000 1.127 617 Y CA 0.011 57.822 58.100 -0.481 0.000 1.288 617 Y CB 0.455 38.769 38.460 -0.245 0.000 1.084 617 Y HN -0.024 nan 8.280 nan 0.000 0.530 618 I N -4.520 115.497 120.570 -0.921 0.000 3.813 618 I HA 0.616 4.787 4.170 0.002 0.000 0.323 618 I C 0.964 176.663 176.117 -0.698 0.000 1.536 618 I CA 0.290 60.880 61.300 -1.183 0.000 1.083 618 I CB 0.697 38.209 38.000 -0.812 0.000 1.265 618 I HN 0.089 nan 8.210 nan 0.000 0.507 619 G N 1.903 110.345 108.800 -0.596 0.000 2.159 619 G HA2 -0.222 3.739 3.960 0.002 0.000 0.227 619 G HA3 -0.222 3.739 3.960 0.002 0.000 0.227 619 G C 0.037 174.849 174.900 -0.147 0.000 0.986 619 G CA 0.004 45.084 45.100 -0.034 0.000 0.651 619 G HN 0.592 nan 8.290 nan 0.000 0.523 620 Q N -0.179 119.382 119.800 -0.397 0.000 2.928 620 Q HA 0.217 4.558 4.340 0.002 0.000 0.353 620 Q C -1.872 173.601 176.000 -0.878 0.000 0.870 620 Q CA -1.548 53.580 55.803 -1.124 0.000 0.963 620 Q CB 1.989 30.061 28.738 -1.110 0.000 1.419 620 Q HN 0.290 nan 8.270 nan 0.000 0.396 621 P HA -0.188 nan 4.420 nan 0.000 0.221 621 P C 0.831 178.112 177.300 -0.032 0.000 1.145 621 P CA 1.118 64.176 63.100 -0.070 0.000 0.795 621 P CB -0.136 31.636 31.700 0.120 0.000 0.775 622 W N 1.351 122.678 121.300 0.044 0.000 2.374 622 W HA 0.027 4.688 4.660 0.002 0.000 0.288 622 W C 1.757 178.313 176.519 0.062 0.000 1.218 622 W CA 0.798 58.208 57.345 0.108 0.000 1.245 622 W CB -1.488 27.980 29.460 0.015 0.000 1.126 622 W HN -0.143 nan 8.180 nan 0.000 0.545 623 K N 0.387 120.482 120.400 -0.509 0.000 2.097 623 K HA -0.077 4.244 4.320 0.002 0.000 0.205 623 K C 2.054 178.401 176.600 -0.421 0.000 1.050 623 K CA 1.939 57.862 56.287 -0.607 0.000 0.938 623 K CB -0.652 31.013 32.500 -1.391 0.000 0.718 623 K HN 0.090 nan 8.250 nan 0.000 0.442 624 T N 1.771 116.144 114.554 -0.302 0.000 2.684 624 T HA -0.200 4.151 4.350 0.002 0.000 0.267 624 T C 1.876 176.460 174.700 -0.193 0.000 1.036 624 T CA 1.498 63.513 62.100 -0.142 0.000 1.148 624 T CB -0.162 68.674 68.868 -0.052 0.000 0.863 624 T HN 0.294 nan 8.240 nan 0.000 0.436 625 Q N -0.611 119.133 119.800 -0.094 0.000 2.050 625 Q HA -0.127 4.214 4.340 0.002 0.000 0.202 625 Q C 2.073 177.930 176.000 -0.239 0.000 0.980 625 Q CA 1.738 57.476 55.803 -0.108 0.000 0.840 625 Q CB -0.323 28.440 28.738 0.042 0.000 0.898 625 Q HN 0.648 nan 8.270 nan 0.000 0.424 626 Y N 0.548 120.646 120.300 -0.336 0.000 2.114 626 Y HA -0.273 4.278 4.550 0.002 0.000 0.284 626 Y C 2.249 177.896 175.900 -0.422 0.000 1.143 626 Y CA 1.831 59.652 58.100 -0.466 0.000 1.135 626 Y CB -0.201 38.021 38.460 -0.396 0.000 0.980 626 Y HN 0.199 nan 8.280 nan 0.000 0.499 627 H N -0.405 118.475 119.070 -0.317 0.000 2.389 627 H HA -0.157 4.400 4.556 0.002 0.000 0.299 627 H C 2.477 177.520 175.328 -0.474 0.000 1.081 627 H CA 1.465 57.235 56.048 -0.463 0.000 1.345 627 H CB -0.497 28.913 29.762 -0.586 0.000 1.393 627 H HN 0.345 nan 8.280 nan 0.000 0.520 628 L N 1.265 122.298 121.223 -0.317 0.000 1.989 628 L HA -0.188 4.153 4.340 0.002 0.000 0.211 628 L C 2.258 178.984 176.870 -0.241 0.000 1.071 628 L CA 1.620 56.296 54.840 -0.274 0.000 0.749 628 L CB -0.370 41.459 42.059 -0.383 0.000 0.890 628 L HN 0.156 nan 8.230 nan 0.000 0.431 629 R N -0.090 120.214 120.500 -0.327 0.000 2.096 629 R HA -0.165 4.176 4.340 0.002 0.000 0.235 629 R C 1.937 178.055 176.300 -0.305 0.000 1.127 629 R CA 1.290 57.200 56.100 -0.316 0.000 0.968 629 R CB -1.127 28.962 30.300 -0.353 0.000 0.861 629 R HN 0.478 nan 8.270 nan 0.000 0.440 630 N N 0.673 119.116 118.700 -0.428 0.000 2.084 630 N HA -0.116 4.625 4.740 0.002 0.000 0.190 630 N C 1.750 177.172 175.510 -0.147 0.000 1.030 630 N CA 1.108 53.944 53.050 -0.355 0.000 0.849 630 N CB -0.127 38.043 38.487 -0.528 0.000 1.012 630 N HN -0.080 nan 8.380 nan 0.000 0.423 631 V N 1.050 120.901 119.914 -0.105 0.000 2.287 631 V HA -0.251 3.870 4.120 0.002 0.000 0.248 631 V C 2.396 178.574 176.094 0.139 0.000 1.053 631 V CA 1.417 63.709 62.300 -0.013 0.000 1.027 631 V CB -0.478 31.324 31.823 -0.035 0.000 0.646 631 V HN 0.374 nan 8.190 nan 0.000 0.447 632 M N -0.462 119.222 119.600 0.141 0.000 2.108 632 M HA -0.189 4.292 4.480 0.002 0.000 0.261 632 M C 1.943 178.363 176.300 0.200 0.000 1.066 632 M CA 1.783 57.201 55.300 0.197 0.000 1.107 632 M CB -1.271 31.275 32.600 -0.090 0.000 1.356 632 M HN 0.364 nan 8.290 nan 0.000 0.406 633 D N 0.200 120.628 120.400 0.047 0.000 2.149 633 D HA -0.060 4.581 4.640 0.002 0.000 0.201 633 D C 1.954 178.286 176.300 0.053 0.000 0.972 633 D CA 1.166 55.179 54.000 0.023 0.000 0.835 633 D CB 0.003 40.770 40.800 -0.054 0.000 0.966 633 D HN 0.350 nan 8.370 nan 0.000 0.476 634 K N -0.466 119.961 120.400 0.044 0.000 2.334 634 K HA 0.250 4.571 4.320 0.002 0.000 0.195 634 K C 1.411 178.018 176.600 0.012 0.000 1.045 634 K CA 0.132 56.433 56.287 0.023 0.000 1.004 634 K CB 0.733 33.236 32.500 0.006 0.000 0.837 634 K HN 0.033 nan 8.250 nan 0.000 0.510 635 L N 0.439 121.671 121.223 0.016 0.000 2.769 635 L HA 0.264 4.605 4.340 0.002 0.000 0.240 635 L C -0.711 175.951 176.870 -0.347 0.000 1.163 635 L CA -0.169 54.582 54.840 -0.148 0.000 0.962 635 L CB 0.301 42.207 42.059 -0.255 0.000 1.258 635 L HN 0.054 nan 8.230 nan 0.000 0.513 636 Y N 0.158 120.463 120.300 0.009 0.000 2.492 636 Y HA 0.393 4.944 4.550 0.002 0.000 0.346 636 Y C -0.178 175.668 175.900 -0.089 0.000 0.997 636 Y CA -1.202 56.858 58.100 -0.066 0.000 1.025 636 Y CB 1.850 40.282 38.460 -0.046 0.000 1.263 636 Y HN 0.082 nan 8.280 nan 0.000 0.454 637 N N -2.164 116.532 118.700 -0.006 0.000 3.039 637 N HA 0.358 5.099 4.740 0.002 0.000 0.257 637 N C -0.520 174.933 175.510 -0.095 0.000 1.497 637 N CA -0.540 52.493 53.050 -0.029 0.000 0.861 637 N CB 1.134 39.609 38.487 -0.019 0.000 1.479 637 N HN 0.297 nan 8.380 nan 0.000 0.547 638 S N -2.237 113.426 115.700 -0.061 0.000 2.575 638 S HA 0.348 4.819 4.470 0.002 0.000 0.215 638 S C 0.844 175.407 174.600 -0.063 0.000 0.966 638 S CA -0.115 58.045 58.200 -0.067 0.000 0.911 638 S CB -0.846 62.351 63.200 -0.005 0.000 0.780 638 S HN 0.796 nan 8.310 nan 0.000 0.514 639 G N 1.495 110.255 108.800 -0.067 0.000 2.531 639 G HA2 0.406 4.367 3.960 0.002 0.000 0.281 639 G HA3 0.406 4.367 3.960 0.002 0.000 0.281 639 G C 0.921 175.755 174.900 -0.110 0.000 1.382 639 G CA -0.038 45.016 45.100 -0.078 0.000 1.045 639 G HN 0.427 nan 8.290 nan 0.000 0.533 640 S N -1.236 114.360 115.700 -0.172 0.000 2.447 640 S HA -0.040 4.431 4.470 0.002 0.000 0.233 640 S C 1.298 175.816 174.600 -0.137 0.000 1.006 640 S CA 1.052 59.102 58.200 -0.250 0.000 0.957 640 S CB -0.074 62.785 63.200 -0.568 0.000 0.773 640 S HN 0.476 nan 8.310 nan 0.000 0.507 641 K N 1.075 121.418 120.400 -0.095 0.000 2.814 641 K HA 0.309 4.630 4.320 0.002 0.000 0.213 641 K C 1.335 177.912 176.600 -0.038 0.000 1.113 641 K CA 0.142 56.404 56.287 -0.041 0.000 1.145 641 K CB 0.281 32.760 32.500 -0.035 0.000 0.948 641 K HN 0.419 nan 8.250 nan 0.000 0.464 642 G N 0.092 108.853 108.800 -0.065 0.000 2.650 642 G HA2 -0.160 3.801 3.960 0.002 0.000 0.214 642 G HA3 -0.160 3.801 3.960 0.002 0.000 0.214 642 G C 0.089 174.825 174.900 -0.273 0.000 1.136 642 G CA 0.289 45.296 45.100 -0.156 0.000 0.789 642 G HN 0.262 nan 8.290 nan 0.000 0.536 643 Y N 0.662 120.927 120.300 -0.058 0.000 2.802 643 Y HA 0.278 4.829 4.550 0.002 0.000 0.330 643 Y C 1.456 177.264 175.900 -0.154 0.000 1.193 643 Y CA -1.208 56.810 58.100 -0.136 0.000 1.427 643 Y CB 0.042 38.475 38.460 -0.045 0.000 1.357 643 Y HN 0.052 nan 8.280 nan 0.000 0.501 644 C N 0.410 119.635 119.300 -0.124 0.000 2.440 644 C HA -0.031 4.430 4.460 0.002 0.000 0.278 644 C C 1.942 176.897 174.990 -0.058 0.000 1.295 644 C CA 0.418 59.389 59.018 -0.079 0.000 1.738 644 C CB -1.135 26.547 27.740 -0.096 0.000 1.987 644 C HN 1.001 nan 8.230 nan 0.000 0.492 645 G N 1.106 109.858 108.800 -0.081 0.000 2.178 645 G HA2 0.044 4.005 3.960 0.002 0.000 0.244 645 G HA3 0.044 4.005 3.960 0.002 0.000 0.244 645 G C 0.337 175.212 174.900 -0.043 0.000 1.213 645 G CA 0.084 45.151 45.100 -0.055 0.000 0.912 645 G HN 0.415 nan 8.290 nan 0.000 0.474 646 D N 1.555 121.925 120.400 -0.050 0.000 2.228 646 D HA -0.114 4.527 4.640 0.002 0.000 0.203 646 D C 1.893 178.152 176.300 -0.069 0.000 0.988 646 D CA 1.261 55.224 54.000 -0.061 0.000 0.864 646 D CB 0.296 41.044 40.800 -0.086 0.000 0.928 646 D HN 0.695 nan 8.370 nan 0.000 0.469 647 E N -0.057 120.100 120.200 -0.072 0.000 2.474 647 E HA -0.013 4.338 4.350 0.002 0.000 0.195 647 E C -0.546 176.014 176.600 -0.065 0.000 1.039 647 E CA -0.118 56.246 56.400 -0.060 0.000 0.881 647 E CB 0.401 30.047 29.700 -0.089 0.000 0.970 647 E HN -0.071 nan 8.360 nan 0.000 0.486 648 D N -0.172 120.188 120.400 -0.066 0.000 2.392 648 D HA 0.155 4.796 4.640 0.002 0.000 0.228 648 D C -0.758 175.524 176.300 -0.030 0.000 1.074 648 D CA -0.313 53.639 54.000 -0.081 0.000 0.838 648 D CB 0.559 41.314 40.800 -0.074 0.000 1.067 648 D HN 0.003 nan 8.370 nan 0.000 0.511 649 N N 1.831 120.501 118.700 -0.050 0.000 2.321 649 N HA 0.346 5.087 4.740 0.002 0.000 0.242 649 N C 0.944 176.321 175.510 -0.222 0.000 1.141 649 N CA -0.050 52.981 53.050 -0.032 0.000 0.864 649 N CB 1.217 39.768 38.487 0.106 0.000 1.100 649 N HN 0.565 nan 8.380 nan 0.000 0.510 650 G N 1.205 109.650 108.800 -0.591 0.000 2.238 650 G HA2 -0.321 3.640 3.960 0.002 0.000 0.217 650 G HA3 -0.321 3.640 3.960 0.002 0.000 0.217 650 G C 1.116 175.709 174.900 -0.511 0.000 0.996 650 G CA 0.217 44.661 45.100 -1.094 0.000 0.632 650 G HN 0.432 nan 8.290 nan 0.000 0.503 651 Q N 1.465 121.129 119.800 -0.227 0.000 2.437 651 Q HA -0.022 4.319 4.340 0.002 0.000 0.210 651 Q C 1.716 177.713 176.000 -0.005 0.000 0.972 651 Q CA 2.082 57.840 55.803 -0.075 0.000 0.903 651 Q CB -0.855 27.866 28.738 -0.029 0.000 0.967 651 Q HN 0.992 nan 8.270 nan 0.000 0.486 652 T N -1.846 112.733 114.554 0.042 0.000 3.188 652 T HA 0.104 4.455 4.350 0.002 0.000 0.250 652 T C 1.684 176.692 174.700 0.514 0.000 1.077 652 T CA 0.399 62.654 62.100 0.259 0.000 0.967 652 T CB 0.031 69.022 68.868 0.205 0.000 1.006 652 T HN 0.372 nan 8.240 nan 0.000 0.552 653 S N 2.211 118.140 115.700 0.381 0.000 2.365 653 S HA -0.121 4.350 4.470 0.002 0.000 0.225 653 S C 2.395 177.190 174.600 0.324 0.000 1.039 653 S CA 0.974 59.409 58.200 0.391 0.000 1.033 653 S CB -1.077 62.276 63.200 0.255 0.000 0.887 653 S HN 0.718 nan 8.310 nan 0.000 0.447 654 A N 0.244 123.225 122.820 0.268 0.000 1.968 654 A HA 0.067 4.388 4.320 0.002 0.000 0.217 654 A C 1.858 179.707 177.584 0.442 0.000 1.169 654 A CA 1.047 53.226 52.037 0.237 0.000 0.638 654 A CB -1.340 17.754 19.000 0.157 0.000 0.812 654 A HN 0.805 nan 8.150 nan 0.000 0.446 655 W N -0.703 120.814 121.300 0.361 0.000 2.338 655 W HA -0.271 4.390 4.660 0.002 0.000 0.304 655 W C 2.003 178.747 176.519 0.374 0.000 1.212 655 W CA 2.071 59.702 57.345 0.477 0.000 1.264 655 W CB -0.347 29.329 29.460 0.362 0.000 1.142 655 W HN 0.469 nan 8.180 nan 0.000 0.512 656 Y N -0.010 120.613 120.300 0.538 0.000 2.200 656 Y HA -0.225 4.326 4.550 0.002 0.000 0.290 656 Y C 2.272 178.200 175.900 0.047 0.000 1.137 656 Y CA 2.468 60.685 58.100 0.196 0.000 1.163 656 Y CB -0.720 37.709 38.460 -0.052 0.000 0.988 656 Y HN -0.182 nan 8.280 nan 0.000 0.518 657 V N -0.213 119.817 119.914 0.194 0.000 2.261 657 V HA -0.319 3.802 4.120 0.002 0.000 0.246 657 V C 2.106 178.173 176.094 -0.045 0.000 1.047 657 V CA 2.145 64.445 62.300 -0.001 0.000 1.015 657 V CB -0.962 30.714 31.823 -0.244 0.000 0.642 657 V HN 0.335 nan 8.190 nan 0.000 0.446 658 F N 1.023 120.916 119.950 -0.095 0.000 2.065 658 F HA -0.214 4.315 4.527 0.002 0.000 0.298 658 F C 2.783 178.364 175.800 -0.365 0.000 1.112 658 F CA 2.123 59.967 58.000 -0.261 0.000 1.212 658 F CB -0.935 37.984 39.000 -0.134 0.000 0.975 658 F HN 0.039 nan 8.300 nan 0.000 0.476 659 S N -0.244 115.344 115.700 -0.187 0.000 2.383 659 S HA -0.205 4.266 4.470 0.002 0.000 0.229 659 S C 2.305 176.693 174.600 -0.354 0.000 1.030 659 S CA 1.015 58.993 58.200 -0.369 0.000 1.002 659 S CB -0.786 61.900 63.200 -0.857 0.000 0.829 659 S HN 0.394 nan 8.310 nan 0.000 0.467 660 A N 1.398 123.981 122.820 -0.395 0.000 1.933 660 A HA -0.034 4.287 4.320 0.002 0.000 0.218 660 A C 2.103 179.562 177.584 -0.208 0.000 1.175 660 A CA 1.339 53.168 52.037 -0.346 0.000 0.628 660 A CB -0.567 18.295 19.000 -0.231 0.000 0.814 660 A HN 0.485 nan 8.150 nan 0.000 0.444 661 M N -2.046 117.427 119.600 -0.211 0.000 2.319 661 M HA 0.057 4.538 4.480 0.002 0.000 0.265 661 M C 1.555 177.713 176.300 -0.236 0.000 1.068 661 M CA 1.284 56.424 55.300 -0.267 0.000 1.118 661 M CB 0.024 32.325 32.600 -0.499 0.000 1.395 661 M HN 0.677 nan 8.290 nan 0.000 0.435 662 G N 0.673 109.326 108.800 -0.244 0.000 2.205 662 G HA2 -0.167 3.794 3.960 0.002 0.000 0.180 662 G HA3 -0.167 3.794 3.960 0.002 0.000 0.180 662 G C -0.201 174.824 174.900 0.208 0.000 1.004 662 G CA -0.233 44.876 45.100 0.014 0.000 0.670 662 G HN 0.493 nan 8.290 nan 0.000 0.496 663 F N -1.886 118.163 119.950 0.165 0.000 2.693 663 F HA 0.830 5.358 4.527 0.002 0.000 0.309 663 F C -1.193 174.661 175.800 0.090 0.000 1.129 663 F CA -2.484 55.611 58.000 0.159 0.000 0.948 663 F CB 1.077 40.155 39.000 0.130 0.000 1.315 663 F HN 0.241 nan 8.300 nan 0.000 0.447 664 Y N 1.841 122.063 120.300 -0.130 0.000 2.479 664 Y HA 0.579 5.130 4.550 0.002 0.000 0.338 664 Y C -2.908 172.726 175.900 -0.444 0.000 1.055 664 Y CA -2.438 55.294 58.100 -0.612 0.000 1.023 664 Y CB 3.231 40.928 38.460 -1.271 0.000 1.287 664 Y HN 0.461 nan 8.280 nan 0.000 0.447 665 P HA 0.078 nan 4.420 nan 0.000 0.238 665 P C 0.507 177.463 177.300 -0.574 0.000 1.794 665 P CA 0.286 62.932 63.100 -0.756 0.000 1.088 665 P CB 0.717 31.928 31.700 -0.816 0.000 1.923 666 V N 1.450 121.261 119.914 -0.172 0.000 2.324 666 V HA -0.202 3.919 4.120 0.002 0.000 0.250 666 V C 1.445 177.471 176.094 -0.113 0.000 1.060 666 V CA 1.796 64.112 62.300 0.027 0.000 1.042 666 V CB -0.336 31.617 31.823 0.217 0.000 0.650 666 V HN 0.563 nan 8.190 nan 0.000 0.450 667 C N 1.755 121.034 119.300 -0.036 0.000 2.647 667 C HA 0.521 4.982 4.460 0.002 0.000 0.273 667 C C -2.675 172.407 174.990 0.152 0.000 1.088 667 C CA -2.192 56.881 59.018 0.091 0.000 1.529 667 C CB -0.104 27.727 27.740 0.150 0.000 1.810 667 C HN 0.279 nan 8.230 nan 0.000 0.422 668 P HA 0.323 nan 4.420 nan 0.000 0.266 668 P C 0.900 178.431 177.300 0.385 0.000 1.195 668 P CA 1.947 65.171 63.100 0.207 0.000 0.768 668 P CB 0.599 32.471 31.700 0.285 0.000 0.838 669 G N 1.316 110.257 108.800 0.235 0.000 2.259 669 G HA2 -0.222 3.739 3.960 0.002 0.000 0.217 669 G HA3 -0.222 3.739 3.960 0.002 0.000 0.217 669 G C -0.070 174.978 174.900 0.247 0.000 1.001 669 G CA 0.072 45.314 45.100 0.236 0.000 0.627 669 G HN 0.569 nan 8.290 nan 0.000 0.501 670 M N 2.904 122.679 119.600 0.292 0.000 2.114 670 M HA 0.629 5.110 4.480 0.002 0.000 0.332 670 M C -2.456 173.838 176.300 -0.010 0.000 1.014 670 M CA -3.071 52.311 55.300 0.137 0.000 0.956 670 M CB 1.645 34.320 32.600 0.125 0.000 1.551 670 M HN -0.073 nan 8.290 nan 0.000 0.427 671 P HA 0.185 nan 4.420 nan 0.000 0.230 671 P C -1.276 175.998 177.300 -0.044 0.000 1.791 671 P CA 0.300 63.359 63.100 -0.068 0.000 1.020 671 P CB -0.397 31.306 31.700 0.005 0.000 1.977 672 E N 0.857 120.937 120.200 -0.199 0.000 2.356 672 E HA 0.439 4.790 4.350 0.002 0.000 0.275 672 E C -1.252 175.156 176.600 -0.319 0.000 0.904 672 E CA -0.716 55.651 56.400 -0.055 0.000 0.757 672 E CB 1.755 31.470 29.700 0.026 0.000 1.232 672 E HN 0.170 nan 8.360 nan 0.000 0.442 673 Y N 0.200 120.573 120.300 0.123 0.000 2.338 673 Y HA 0.493 5.044 4.550 0.002 0.000 0.333 673 Y C 0.098 176.106 175.900 0.180 0.000 0.968 673 Y CA -1.053 57.096 58.100 0.082 0.000 1.123 673 Y CB 1.873 40.387 38.460 0.091 0.000 1.165 673 Y HN 0.536 nan 8.280 nan 0.000 0.452 674 A N 4.341 127.319 122.820 0.264 0.000 2.440 674 A HA 0.453 4.774 4.320 0.002 0.000 0.251 674 A C -0.138 177.673 177.584 0.377 0.000 1.089 674 A CA -0.305 51.916 52.037 0.306 0.000 0.779 674 A CB -0.028 19.171 19.000 0.332 0.000 1.022 674 A HN 0.808 nan 8.150 nan 0.000 0.492 675 I N 2.742 123.558 120.570 0.411 0.000 2.441 675 I HA 0.324 4.495 4.170 0.002 0.000 0.287 675 I C 1.300 177.680 176.117 0.437 0.000 1.049 675 I CA 0.352 61.906 61.300 0.422 0.000 1.381 675 I CB 1.367 39.585 38.000 0.364 0.000 1.409 675 I HN 0.814 nan 8.210 nan 0.000 0.523 676 G N 3.472 112.527 108.800 0.425 0.000 2.968 676 G HA2 0.366 4.327 3.960 0.002 0.000 0.206 676 G HA3 0.366 4.327 3.960 0.002 0.000 0.206 676 G C -0.477 174.478 174.900 0.092 0.000 2.051 676 G CA -0.025 45.205 45.100 0.218 0.000 0.773 676 G HN 0.512 nan 8.290 nan 0.000 0.741 677 S N 1.028 116.732 115.700 0.007 0.000 2.592 677 S HA 0.561 5.032 4.470 0.002 0.000 0.275 677 S C -3.133 171.416 174.600 -0.086 0.000 1.169 677 S CA -0.906 57.276 58.200 -0.031 0.000 0.958 677 S CB 2.256 65.396 63.200 -0.099 0.000 1.095 677 S HN 0.284 nan 8.310 nan 0.000 0.471 678 P HA 0.226 nan 4.420 nan 0.000 0.274 678 P C 0.507 177.691 177.300 -0.195 0.000 1.231 678 P CA -0.544 62.496 63.100 -0.100 0.000 0.790 678 P CB 0.857 32.543 31.700 -0.022 0.000 0.951 679 L N 1.154 122.189 121.223 -0.313 0.000 2.307 679 L HA 0.274 4.615 4.340 0.002 0.000 0.211 679 L C 0.535 177.048 176.870 -0.595 0.000 1.099 679 L CA 1.170 55.689 54.840 -0.535 0.000 0.816 679 L CB -0.379 41.181 42.059 -0.832 0.000 0.952 679 L HN 0.170 nan 8.230 nan 0.000 0.455 680 F N -0.762 119.064 119.950 -0.207 0.000 2.457 680 F HA 0.344 4.872 4.527 0.002 0.000 0.330 680 F C 1.594 177.323 175.800 -0.118 0.000 1.069 680 F CA -0.641 57.254 58.000 -0.176 0.000 1.009 680 F CB 0.685 39.540 39.000 -0.241 0.000 1.276 680 F HN -0.366 nan 8.300 nan 0.000 0.492 681 K N 0.013 120.488 120.400 0.125 0.000 2.283 681 K HA -0.031 4.290 4.320 0.002 0.000 0.202 681 K C 0.067 176.691 176.600 0.041 0.000 1.048 681 K CA 1.120 57.439 56.287 0.054 0.000 0.948 681 K CB 0.194 32.720 32.500 0.042 0.000 0.742 681 K HN 0.361 nan 8.250 nan 0.000 0.458 682 K N 0.483 120.913 120.400 0.050 0.000 2.570 682 K HA 0.161 4.482 4.320 0.002 0.000 0.256 682 K C -1.803 174.761 176.600 -0.061 0.000 0.939 682 K CA -0.557 55.728 56.287 -0.004 0.000 0.833 682 K CB 1.886 34.377 32.500 -0.015 0.000 1.318 682 K HN -0.116 nan 8.250 nan 0.000 0.433 683 V N -0.484 119.392 119.914 -0.063 0.000 2.735 683 V HA 0.694 4.815 4.120 0.002 0.000 0.310 683 V C -0.720 175.330 176.094 -0.074 0.000 1.061 683 V CA -0.605 61.621 62.300 -0.123 0.000 0.913 683 V CB 1.735 33.475 31.823 -0.139 0.000 1.005 683 V HN 0.710 nan 8.190 nan 0.000 0.428 684 T N 5.412 119.901 114.554 -0.109 0.000 2.809 684 T HA 0.696 5.047 4.350 0.002 0.000 0.284 684 T C -0.683 173.864 174.700 -0.256 0.000 0.992 684 T CA -0.214 61.781 62.100 -0.175 0.000 0.957 684 T CB 1.168 69.904 68.868 -0.220 0.000 0.942 684 T HN 0.546 nan 8.240 nan 0.000 0.439 685 L N 4.501 125.621 121.223 -0.172 0.000 2.264 685 L HA 0.340 4.681 4.340 0.002 0.000 0.289 685 L C 0.350 177.087 176.870 -0.222 0.000 1.044 685 L CA -0.429 54.333 54.840 -0.131 0.000 0.807 685 L CB 0.434 42.504 42.059 0.018 0.000 1.192 685 L HN 0.588 nan 8.230 nan 0.000 0.425 686 H N 5.533 124.621 119.070 0.029 0.000 2.741 686 H HA 0.394 4.952 4.556 0.002 0.000 0.282 686 H C -0.180 175.142 175.328 -0.010 0.000 1.122 686 H CA -0.199 55.860 56.048 0.018 0.000 1.293 686 H CB 0.526 30.305 29.762 0.028 0.000 1.415 686 H HN 0.446 nan 8.280 nan 0.000 0.472 687 L N 4.105 125.377 121.223 0.081 0.000 2.416 687 L HA 0.391 4.732 4.340 0.002 0.000 0.263 687 L C -1.789 175.105 176.870 0.041 0.000 1.065 687 L CA -2.136 52.722 54.840 0.030 0.000 0.798 687 L CB 0.423 42.481 42.059 -0.002 0.000 1.267 687 L HN 0.302 nan 8.230 nan 0.000 0.467 688 P HA 0.017 nan 4.420 nan 0.000 0.268 688 P C -0.619 176.698 177.300 0.029 0.000 1.208 688 P CA 0.124 63.243 63.100 0.031 0.000 0.777 688 P CB 0.270 31.990 31.700 0.033 0.000 0.875 689 E N 0.763 120.979 120.200 0.026 0.000 2.513 689 E HA -0.216 4.135 4.350 0.002 0.000 0.257 689 E C 0.822 177.437 176.600 0.025 0.000 1.098 689 E CA 0.483 56.897 56.400 0.022 0.000 0.752 689 E CB -2.117 27.595 29.700 0.019 0.000 1.324 689 E HN 0.916 nan 8.360 nan 0.000 0.403 690 G N -0.075 108.745 108.800 0.032 0.000 2.168 690 G HA2 -0.373 3.588 3.960 0.002 0.000 0.257 690 G HA3 -0.373 3.588 3.960 0.002 0.000 0.257 690 G C 0.117 175.049 174.900 0.052 0.000 0.997 690 G CA 0.806 45.930 45.100 0.040 0.000 0.708 690 G HN 0.110 nan 8.290 nan 0.000 0.520 691 K N 0.767 121.197 120.400 0.050 0.000 2.205 691 K HA 0.394 4.715 4.320 0.002 0.000 0.279 691 K C 0.014 176.654 176.600 0.068 0.000 1.027 691 K CA -0.437 55.880 56.287 0.048 0.000 0.932 691 K CB 0.832 33.352 32.500 0.035 0.000 1.032 691 K HN 0.276 nan 8.250 nan 0.000 0.466 692 N N 2.060 120.793 118.700 0.055 0.000 2.314 692 N HA 0.331 5.072 4.740 0.002 0.000 0.294 692 N C -1.252 174.270 175.510 0.021 0.000 1.029 692 N CA -0.491 52.574 53.050 0.025 0.000 0.845 692 N CB 1.443 39.939 38.487 0.015 0.000 1.321 692 N HN 0.377 nan 8.380 nan 0.000 0.481 693 F N 1.798 121.676 119.950 -0.119 0.000 2.467 693 F HA 0.449 4.977 4.527 0.001 0.000 0.336 693 F C -0.639 175.095 175.800 -0.110 0.000 1.123 693 F CA -0.671 57.260 58.000 -0.116 0.000 0.964 693 F CB 1.091 40.010 39.000 -0.135 0.000 1.136 693 F HN 0.081 nan 8.300 nan 0.000 0.447 694 V N 6.677 126.290 119.914 -0.502 0.000 2.435 694 V HA 0.371 4.492 4.120 0.002 0.000 0.290 694 V C -0.617 175.328 176.094 -0.248 0.000 1.030 694 V CA -0.818 61.319 62.300 -0.272 0.000 0.881 694 V CB 1.569 33.244 31.823 -0.246 0.000 0.983 694 V HN 0.515 nan 8.190 nan 0.000 0.445 695 V N 4.986 124.905 119.914 0.009 0.000 2.318 695 V HA 0.392 4.513 4.120 0.002 0.000 0.271 695 V C 0.385 176.481 176.094 0.005 0.000 1.030 695 V CA -0.252 62.088 62.300 0.067 0.000 0.844 695 V CB 1.373 33.320 31.823 0.206 0.000 1.015 695 V HN 0.990 nan 8.190 nan 0.000 0.460 696 S N 3.732 119.414 115.700 -0.031 0.000 2.509 696 S HA 0.855 5.326 4.470 0.002 0.000 0.297 696 S C -0.105 174.495 174.600 -0.000 0.000 1.118 696 S CA -0.198 57.989 58.200 -0.022 0.000 1.074 696 S CB 2.008 65.181 63.200 -0.045 0.000 1.038 696 S HN 1.158 nan 8.310 nan 0.000 0.498 697 A N 1.868 124.692 122.820 0.007 0.000 3.266 697 A HA 0.759 5.080 4.320 0.002 0.000 0.310 697 A C 0.995 178.583 177.584 0.007 0.000 1.066 697 A CA -0.205 51.838 52.037 0.011 0.000 0.839 697 A CB -0.295 18.711 19.000 0.011 0.000 1.192 697 A HN 1.377 nan 8.150 nan 0.000 0.496 698 A N 0.868 123.691 122.820 0.004 0.000 2.024 698 A HA -0.073 4.248 4.320 0.002 0.000 0.220 698 A C 1.162 178.749 177.584 0.005 0.000 1.164 698 A CA 1.954 53.993 52.037 0.004 0.000 0.643 698 A CB -0.296 18.705 19.000 0.001 0.000 0.806 698 A HN 0.695 nan 8.150 nan 0.000 0.451 699 D N -1.164 119.239 120.400 0.005 0.000 2.525 699 D HA 0.108 4.749 4.640 0.002 0.000 0.229 699 D C 0.076 176.375 176.300 -0.001 0.000 1.202 699 D CA -0.653 53.349 54.000 0.004 0.000 0.828 699 D CB -0.655 40.150 40.800 0.008 0.000 1.008 699 D HN 0.116 nan 8.370 nan 0.000 0.493 700 N N 1.117 119.812 118.700 -0.008 0.000 2.479 700 N HA 0.434 5.175 4.740 0.002 0.000 0.257 700 N C -0.725 174.763 175.510 -0.036 0.000 1.232 700 N CA 0.137 53.171 53.050 -0.028 0.000 0.920 700 N CB 0.845 39.308 38.487 -0.040 0.000 1.105 700 N HN 0.344 nan 8.380 nan 0.000 0.444 701 A N 0.911 123.698 122.820 -0.054 0.000 2.601 701 A HA 0.648 4.969 4.320 0.002 0.000 0.291 701 A C 0.503 178.039 177.584 -0.079 0.000 1.075 701 A CA -0.076 51.929 52.037 -0.054 0.000 0.671 701 A CB 0.106 19.089 19.000 -0.029 0.000 1.277 701 A HN 0.605 nan 8.150 nan 0.000 0.417 702 A N 0.314 123.088 122.820 -0.076 0.000 1.986 702 A HA -0.094 4.227 4.320 0.002 0.000 0.220 702 A C 1.178 178.711 177.584 -0.085 0.000 1.171 702 A CA 2.440 54.423 52.037 -0.090 0.000 0.640 702 A CB -0.530 18.430 19.000 -0.068 0.000 0.811 702 A HN 1.050 nan 8.150 nan 0.000 0.451 703 D N -1.603 118.766 120.400 -0.051 0.000 2.388 703 D HA 0.081 4.722 4.640 0.002 0.000 0.221 703 D C 0.420 176.710 176.300 -0.017 0.000 1.133 703 D CA -0.109 53.875 54.000 -0.026 0.000 0.831 703 D CB -0.233 40.569 40.800 0.004 0.000 0.962 703 D HN 0.388 nan 8.370 nan 0.000 0.502 704 R N 1.198 121.669 120.500 -0.048 0.000 2.835 704 R HA 0.237 4.578 4.340 0.002 0.000 0.290 704 R C -1.958 174.284 176.300 -0.098 0.000 1.410 704 R CA -1.117 54.968 56.100 -0.025 0.000 1.590 704 R CB 1.293 31.593 30.300 0.000 0.000 1.288 704 R HN 0.053 nan 8.270 nan 0.000 0.637 705 P HA -0.088 nan 4.420 nan 0.000 0.240 705 P C -0.410 176.711 177.300 -0.297 0.000 1.190 705 P CA 0.640 63.533 63.100 -0.345 0.000 0.781 705 P CB 0.304 31.682 31.700 -0.536 0.000 0.931 706 Y N 0.349 120.663 120.300 0.023 0.000 2.299 706 Y HA 0.296 4.847 4.550 0.002 0.000 0.326 706 Y C 1.325 177.252 175.900 0.045 0.000 1.164 706 Y CA -0.868 57.261 58.100 0.048 0.000 1.234 706 Y CB 0.406 38.892 38.460 0.043 0.000 1.219 706 Y HN -0.259 nan 8.280 nan 0.000 0.497 707 I N 4.118 124.830 120.570 0.238 0.000 2.322 707 I HA 0.211 4.382 4.170 0.002 0.000 0.292 707 I C 1.344 177.551 176.117 0.150 0.000 1.060 707 I CA -0.027 61.373 61.300 0.168 0.000 1.309 707 I CB 1.006 39.106 38.000 0.168 0.000 1.415 707 I HN 0.715 nan 8.210 nan 0.000 0.492 708 R N 6.034 126.598 120.500 0.107 0.000 2.066 708 R HA 0.123 4.464 4.340 0.002 0.000 0.224 708 R C 0.524 176.860 176.300 0.061 0.000 1.122 708 R CA 1.003 57.141 56.100 0.063 0.000 0.974 708 R CB 0.419 30.742 30.300 0.039 0.000 0.871 708 R HN 0.553 nan 8.270 nan 0.000 0.435 709 K N -0.720 119.723 120.400 0.072 0.000 2.532 709 K HA 0.530 4.851 4.320 0.002 0.000 0.265 709 K C -2.155 174.506 176.600 0.102 0.000 0.948 709 K CA -0.731 55.600 56.287 0.074 0.000 0.842 709 K CB 2.285 34.815 32.500 0.050 0.000 1.392 709 K HN 0.142 nan 8.250 nan 0.000 0.436 710 A N 3.603 126.503 122.820 0.134 0.000 2.449 710 A HA 0.663 4.984 4.320 0.002 0.000 0.302 710 A C -1.602 176.080 177.584 0.164 0.000 1.048 710 A CA -0.801 51.339 52.037 0.171 0.000 0.708 710 A CB 1.001 20.186 19.000 0.308 0.000 1.274 710 A HN 0.569 nan 8.150 nan 0.000 0.410 711 L N 2.086 123.361 121.223 0.087 0.000 2.322 711 L HA 0.553 4.894 4.340 0.002 0.000 0.281 711 L C -0.924 175.920 176.870 -0.044 0.000 1.014 711 L CA -0.845 54.025 54.840 0.051 0.000 0.815 711 L CB 1.715 43.781 42.059 0.012 0.000 1.247 711 L HN 0.649 nan 8.230 nan 0.000 0.421 712 L N 4.219 125.400 121.223 -0.070 0.000 2.280 712 L HA 0.397 4.738 4.340 0.002 0.000 0.287 712 L C 0.247 177.054 176.870 -0.106 0.000 1.023 712 L CA 0.184 54.894 54.840 -0.217 0.000 0.819 712 L CB 0.455 42.240 42.059 -0.457 0.000 1.212 712 L HN 0.665 nan 8.230 nan 0.000 0.420 713 N N 4.118 122.740 118.700 -0.129 0.000 2.716 713 N HA -0.214 4.527 4.740 0.002 0.000 0.250 713 N C 0.897 176.375 175.510 -0.052 0.000 1.033 713 N CA 0.788 53.782 53.050 -0.092 0.000 0.727 713 N CB -1.134 37.315 38.487 -0.063 0.000 0.950 713 N HN 1.224 nan 8.380 nan 0.000 0.541 714 G N -1.946 106.826 108.800 -0.048 0.000 2.176 714 G HA2 -0.327 3.634 3.960 0.002 0.000 0.253 714 G HA3 -0.327 3.634 3.960 0.002 0.000 0.253 714 G C -0.276 174.625 174.900 0.001 0.000 0.979 714 G CA 0.373 45.459 45.100 -0.024 0.000 0.641 714 G HN 0.392 nan 8.290 nan 0.000 0.530 715 Q N 0.484 120.294 119.800 0.016 0.000 2.309 715 Q HA 0.485 4.826 4.340 0.002 0.000 0.264 715 Q C 0.132 176.182 176.000 0.085 0.000 1.008 715 Q CA -0.763 55.067 55.803 0.044 0.000 0.853 715 Q CB 1.721 30.489 28.738 0.050 0.000 1.314 715 Q HN 0.611 nan 8.270 nan 0.000 0.448 716 E N 1.940 122.186 120.200 0.078 0.000 2.502 716 E HA 0.018 4.369 4.350 0.002 0.000 0.261 716 E C -1.365 175.336 176.600 0.168 0.000 0.974 716 E CA 0.260 56.719 56.400 0.100 0.000 0.936 716 E CB 0.354 30.088 29.700 0.056 0.000 0.926 716 E HN 0.427 nan 8.360 nan 0.000 0.459 717 F N 4.002 123.953 119.950 0.001 0.000 2.562 717 F HA 0.260 4.788 4.527 0.002 0.000 0.319 717 F C 0.206 176.008 175.800 0.004 0.000 1.154 717 F CA -0.315 57.682 58.000 -0.006 0.000 0.931 717 F CB 1.772 40.771 39.000 -0.003 0.000 1.198 717 F HN 0.415 nan 8.300 nan 0.000 0.444 718 T N 1.207 115.439 114.554 -0.536 0.000 3.043 718 T HA 0.366 4.717 4.350 0.002 0.000 0.272 718 T C 0.618 174.995 174.700 -0.538 0.000 0.990 718 T CA -0.312 61.554 62.100 -0.390 0.000 0.897 718 T CB -0.087 68.678 68.868 -0.172 0.000 1.111 718 T HN 0.536 nan 8.240 nan 0.000 0.529 719 R N 1.923 121.809 120.500 -1.024 0.000 2.643 719 R HA 0.308 4.649 4.340 0.002 0.000 0.270 719 R C 0.161 176.208 176.300 -0.421 0.000 1.061 719 R CA -0.321 55.359 56.100 -0.701 0.000 1.107 719 R CB 0.231 30.005 30.300 -0.877 0.000 0.999 719 R HN 0.152 nan 8.270 nan 0.000 0.460 720 N N 1.836 120.528 118.700 -0.012 0.000 2.322 720 N HA 0.041 4.782 4.740 0.002 0.000 0.216 720 N C -1.067 174.630 175.510 0.312 0.000 1.144 720 N CA 0.218 53.368 53.050 0.166 0.000 0.830 720 N CB 0.105 38.706 38.487 0.189 0.000 1.034 720 N HN 0.476 nan 8.380 nan 0.000 0.484 721 Y N -2.651 117.736 120.300 0.146 0.000 2.624 721 Y HA 0.585 5.136 4.550 0.002 0.000 0.334 721 Y C -1.580 174.490 175.900 0.283 0.000 1.155 721 Y CA -1.341 56.873 58.100 0.190 0.000 1.046 721 Y CB 0.841 39.361 38.460 0.101 0.000 1.316 721 Y HN -0.290 nan 8.280 nan 0.000 0.457 722 L N 2.774 124.140 121.223 0.239 0.000 2.334 722 L HA 0.638 4.979 4.340 0.002 0.000 0.276 722 L C 0.159 177.156 176.870 0.212 0.000 1.014 722 L CA -1.014 53.865 54.840 0.065 0.000 0.815 722 L CB 2.518 44.440 42.059 -0.227 0.000 1.268 722 L HN 0.966 nan 8.230 nan 0.000 0.428 723 T N -3.572 111.072 114.554 0.151 0.000 2.882 723 T HA 0.084 4.435 4.350 0.002 0.000 0.287 723 T C 1.119 175.933 174.700 0.190 0.000 1.014 723 T CA -0.349 61.883 62.100 0.219 0.000 1.049 723 T CB 0.971 69.949 68.868 0.183 0.000 1.001 723 T HN 0.624 nan 8.240 nan 0.000 0.525 724 H N 0.846 120.031 119.070 0.193 0.000 2.352 724 H HA -0.132 4.424 4.556 0.002 0.000 0.299 724 H C 1.170 176.527 175.328 0.048 0.000 1.097 724 H CA 2.333 58.510 56.048 0.214 0.000 1.311 724 H CB -0.017 29.870 29.762 0.209 0.000 1.377 724 H HN 0.705 nan 8.280 nan 0.000 0.504 725 D N 0.459 120.922 120.400 0.105 0.000 2.117 725 D HA -0.122 4.519 4.640 0.002 0.000 0.197 725 D C 2.177 178.444 176.300 -0.054 0.000 0.987 725 D CA 0.896 54.910 54.000 0.024 0.000 0.829 725 D CB -0.266 40.574 40.800 0.067 0.000 0.961 725 D HN 0.563 nan 8.370 nan 0.000 0.460 726 E N -0.007 120.154 120.200 -0.064 0.000 2.085 726 E HA -0.144 4.207 4.350 0.002 0.000 0.194 726 E C 2.306 178.756 176.600 -0.251 0.000 0.994 726 E CA 0.549 56.885 56.400 -0.106 0.000 0.801 726 E CB -0.046 29.586 29.700 -0.113 0.000 0.743 726 E HN 0.261 nan 8.360 nan 0.000 0.453 727 L N 0.661 121.581 121.223 -0.504 0.000 2.005 727 L HA -0.195 4.146 4.340 0.002 0.000 0.207 727 L C 2.597 179.266 176.870 -0.337 0.000 1.072 727 L CA 1.249 55.630 54.840 -0.764 0.000 0.744 727 L CB -0.317 41.233 42.059 -0.849 0.000 0.895 727 L HN 0.017 nan 8.230 nan 0.000 0.433 728 K N 0.152 120.362 120.400 -0.317 0.000 2.152 728 K HA -0.235 4.086 4.320 0.002 0.000 0.206 728 K C 2.090 178.653 176.600 -0.062 0.000 1.048 728 K CA 1.584 57.752 56.287 -0.198 0.000 0.933 728 K CB 0.034 32.412 32.500 -0.204 0.000 0.721 728 K HN 0.470 nan 8.250 nan 0.000 0.447 729 Q N -0.504 119.278 119.800 -0.031 0.000 2.472 729 Q HA 0.083 4.424 4.340 0.002 0.000 0.208 729 Q C 0.490 176.519 176.000 0.049 0.000 0.958 729 Q CA 0.487 56.299 55.803 0.014 0.000 0.932 729 Q CB 0.178 28.926 28.738 0.017 0.000 1.007 729 Q HN 0.200 nan 8.270 nan 0.000 0.508 730 G N -0.777 108.088 108.800 0.108 0.000 2.787 730 G HA2 0.185 4.146 3.960 0.002 0.000 0.685 730 G HA3 0.185 4.146 3.960 0.002 0.000 0.685 730 G C 0.064 175.035 174.900 0.120 0.000 1.437 730 G CA -0.410 44.779 45.100 0.149 0.000 0.872 730 G HN 1.072 nan 8.290 nan 0.000 0.566 731 G N -0.595 108.154 108.800 -0.086 0.000 2.347 731 G HA2 0.616 4.577 3.960 0.002 0.000 0.224 731 G HA3 0.616 4.577 3.960 0.002 0.000 0.224 731 G C -0.744 173.704 174.900 -0.753 0.000 1.318 731 G CA 0.728 45.657 45.100 -0.286 0.000 1.016 731 G HN 1.843 nan 8.290 nan 0.000 0.469 732 E N -0.980 118.748 120.200 -0.786 0.000 2.321 732 E HA 0.522 4.873 4.350 0.002 0.000 0.281 732 E C -1.893 174.364 176.600 -0.571 0.000 0.910 732 E CA -0.794 55.132 56.400 -0.789 0.000 0.770 732 E CB 2.047 31.510 29.700 -0.396 0.000 1.225 732 E HN 0.714 nan 8.360 nan 0.000 0.417 733 L N 4.715 125.645 121.223 -0.489 0.000 2.262 733 L HA 0.476 4.817 4.340 0.002 0.000 0.288 733 L C -1.113 175.689 176.870 -0.113 0.000 1.035 733 L CA -0.357 54.371 54.840 -0.186 0.000 0.820 733 L CB 0.893 42.960 42.059 0.013 0.000 1.204 733 L HN 0.456 nan 8.230 nan 0.000 0.424 734 N N 5.963 124.610 118.700 -0.088 0.000 2.485 734 N HA 0.358 5.099 4.740 0.002 0.000 0.243 734 N C -1.455 174.059 175.510 0.008 0.000 0.987 734 N CA -0.261 52.763 53.050 -0.044 0.000 0.940 734 N CB 0.479 38.936 38.487 -0.050 0.000 1.122 734 N HN 0.620 nan 8.380 nan 0.000 0.509 735 L N 1.702 122.940 121.223 0.025 0.000 2.309 735 L HA 0.439 4.780 4.340 0.002 0.000 0.282 735 L C 0.223 177.118 176.870 0.042 0.000 1.036 735 L CA -0.794 54.078 54.840 0.055 0.000 0.806 735 L CB 1.597 43.699 42.059 0.071 0.000 1.220 735 L HN 0.358 nan 8.230 nan 0.000 0.429 736 S N 4.242 119.972 115.700 0.051 0.000 2.423 736 S HA 0.517 4.988 4.470 0.002 0.000 0.317 736 S C -0.023 174.608 174.600 0.052 0.000 1.065 736 S CA -0.747 57.478 58.200 0.041 0.000 1.111 736 S CB 0.692 63.914 63.200 0.037 0.000 0.968 736 S HN 0.360 nan 8.310 nan 0.000 0.474 737 M N 2.957 122.582 119.600 0.043 0.000 2.314 737 M HA 0.512 4.993 4.480 0.002 0.000 0.342 737 M C -0.067 176.268 176.300 0.059 0.000 1.171 737 M CA -0.451 54.880 55.300 0.052 0.000 1.098 737 M CB 0.693 33.307 32.600 0.024 0.000 1.559 737 M HN 0.447 nan 8.290 nan 0.000 0.459 738 D N -0.413 120.046 120.400 0.098 0.000 2.596 738 D HA 0.374 5.016 4.640 0.002 0.000 0.234 738 D C 0.203 176.610 176.300 0.179 0.000 1.181 738 D CA -0.236 53.826 54.000 0.104 0.000 0.856 738 D CB 1.707 42.556 40.800 0.081 0.000 1.498 738 D HN 0.584 nan 8.370 nan 0.000 0.446 739 S N -0.489 115.296 115.700 0.142 0.000 2.558 739 S HA 0.197 4.668 4.470 0.002 0.000 0.217 739 S C 0.849 175.600 174.600 0.252 0.000 0.975 739 S CA 0.165 58.480 58.200 0.191 0.000 0.912 739 S CB -0.417 62.837 63.200 0.091 0.000 0.776 739 S HN 0.418 nan 8.310 nan 0.000 0.526 740 V N -1.643 118.324 119.914 0.088 0.000 2.864 740 V HA 0.746 4.867 4.120 0.002 0.000 0.314 740 V C -3.140 172.637 176.094 -0.528 0.000 1.073 740 V CA -2.987 59.185 62.300 -0.213 0.000 0.956 740 V CB 1.865 33.575 31.823 -0.189 0.000 1.023 740 V HN -0.051 nan 8.190 nan 0.000 0.435 741 P HA 0.215 nan 4.420 nan 0.000 0.274 741 P C -0.992 175.973 177.300 -0.560 0.000 1.231 741 P CA -0.088 62.408 63.100 -1.006 0.000 0.790 741 P CB 0.649 31.625 31.700 -1.207 0.000 0.951 742 N N 1.924 120.424 118.700 -0.333 0.000 2.589 742 N HA 0.062 4.803 4.740 0.002 0.000 0.232 742 N C 0.596 175.898 175.510 -0.346 0.000 1.015 742 N CA -0.009 52.886 53.050 -0.257 0.000 0.931 742 N CB 0.265 38.702 38.487 -0.083 0.000 1.150 742 N HN 0.230 nan 8.380 nan 0.000 0.512 743 Q N 1.331 120.784 119.800 -0.579 0.000 2.482 743 Q HA 0.052 4.393 4.340 0.002 0.000 0.209 743 Q C 0.466 176.325 176.000 -0.235 0.000 0.961 743 Q CA 0.704 56.017 55.803 -0.816 0.000 0.945 743 Q CB 0.383 28.554 28.738 -0.944 0.000 1.012 743 Q HN 0.680 nan 8.270 nan 0.000 0.515 744 Q N -0.066 119.664 119.800 -0.117 0.000 2.319 744 Q HA 0.118 4.459 4.340 0.002 0.000 0.202 744 Q C 0.208 176.238 176.000 0.049 0.000 0.896 744 Q CA -0.017 55.779 55.803 -0.012 0.000 0.942 744 Q CB 0.609 29.327 28.738 -0.034 0.000 1.083 744 Q HN 0.083 nan 8.270 nan 0.000 0.510 745 R N -0.151 120.404 120.500 0.090 0.000 2.445 745 R HA 0.399 4.740 4.340 0.002 0.000 0.308 745 R C 0.159 176.570 176.300 0.184 0.000 0.961 745 R CA 0.416 56.581 56.100 0.108 0.000 0.862 745 R CB 0.884 31.238 30.300 0.091 0.000 1.144 745 R HN 0.215 nan 8.270 nan 0.000 0.447 746 G N 2.519 111.390 108.800 0.118 0.000 2.160 746 G HA2 -0.303 3.658 3.960 0.002 0.000 0.244 746 G HA3 -0.303 3.658 3.960 0.002 0.000 0.244 746 G C 0.458 175.509 174.900 0.251 0.000 1.022 746 G CA 0.739 45.925 45.100 0.143 0.000 0.741 746 G HN 0.754 nan 8.290 nan 0.000 0.508 747 T N -3.310 111.377 114.554 0.222 0.000 3.069 747 T HA 0.409 4.760 4.350 0.002 0.000 0.252 747 T C 0.769 175.579 174.700 0.183 0.000 1.053 747 T CA 0.344 62.630 62.100 0.310 0.000 0.964 747 T CB 0.616 69.659 68.868 0.291 0.000 1.005 747 T HN 0.298 nan 8.240 nan 0.000 0.532 748 Q N 1.461 121.206 119.800 -0.091 0.000 2.227 748 Q HA 0.348 4.689 4.340 0.002 0.000 0.245 748 Q C -2.002 173.458 176.000 -0.899 0.000 0.926 748 Q CA -2.641 52.989 55.803 -0.289 0.000 0.895 748 Q CB 1.457 30.088 28.738 -0.178 0.000 1.230 748 Q HN 0.038 nan 8.270 nan 0.000 0.450 749 P HA -0.146 nan 4.420 nan 0.000 0.218 749 P C 0.682 177.646 177.300 -0.559 0.000 1.148 749 P CA 1.794 64.432 63.100 -0.770 0.000 0.822 749 P CB 0.202 31.783 31.700 -0.199 0.000 0.784 750 A N -0.379 122.236 122.820 -0.340 0.000 2.121 750 A HA -0.160 4.161 4.320 0.002 0.000 0.218 750 A C 1.670 179.168 177.584 -0.144 0.000 1.154 750 A CA 1.553 53.489 52.037 -0.169 0.000 0.679 750 A CB -0.986 17.949 19.000 -0.109 0.000 0.795 750 A HN 0.107 nan 8.150 nan 0.000 0.458 751 D N -1.017 119.203 120.400 -0.301 0.000 2.348 751 D HA 0.097 4.738 4.640 0.002 0.000 0.211 751 D C -0.300 176.103 176.300 0.171 0.000 0.998 751 D CA 0.191 54.122 54.000 -0.115 0.000 0.873 751 D CB -0.059 40.670 40.800 -0.117 0.000 0.925 751 D HN 0.334 nan 8.370 nan 0.000 0.524 752 F N 1.383 121.382 119.950 0.081 0.000 2.399 752 F HA 0.336 4.864 4.527 0.002 0.000 0.342 752 F C -1.619 174.079 175.800 -0.170 0.000 1.106 752 F CA -3.354 54.619 58.000 -0.045 0.000 1.196 752 F CB -0.191 38.785 39.000 -0.040 0.000 1.163 752 F HN -0.245 nan 8.300 nan 0.000 0.547 753 P HA 0.054 nan 4.420 nan 0.000 0.293 753 P C -0.922 176.287 177.300 -0.152 0.000 1.298 753 P CA -0.420 62.255 63.100 -0.708 0.000 0.757 753 P CB 0.308 31.529 31.700 -0.798 0.000 1.262 754 Y N 0.111 120.337 120.300 -0.124 0.000 2.597 754 Y HA 0.242 4.793 4.550 0.002 0.000 0.336 754 Y C -0.251 175.770 175.900 0.201 0.000 1.216 754 Y CA 1.171 59.318 58.100 0.078 0.000 1.463 754 Y CB 0.161 38.691 38.460 0.117 0.000 1.303 754 Y HN 0.163 nan 8.280 nan 0.000 0.576 755 S N 5.544 120.890 115.700 -0.590 0.000 2.541 755 S HA 0.100 4.571 4.470 0.002 0.000 0.280 755 S C -0.227 173.818 174.600 -0.924 0.000 1.112 755 S CA -0.766 57.087 58.200 -0.578 0.000 0.925 755 S CB 0.952 64.038 63.200 -0.189 0.000 1.067 755 S HN 0.774 nan 8.310 nan 0.000 0.479 756 Y N 3.097 123.034 120.300 -0.605 0.000 2.151 756 Y HA -0.171 4.380 4.550 0.002 0.000 0.284 756 Y C 2.045 177.895 175.900 -0.084 0.000 1.166 756 Y CA 2.182 60.199 58.100 -0.138 0.000 1.163 756 Y CB -0.269 38.319 38.460 0.214 0.000 0.974 756 Y HN 0.594 nan 8.280 nan 0.000 0.511 757 S N 0.064 115.631 115.700 -0.223 0.000 2.562 757 S HA 0.017 4.488 4.470 0.002 0.000 0.221 757 S C 0.789 175.276 174.600 -0.188 0.000 0.975 757 S CA 0.213 58.278 58.200 -0.225 0.000 0.918 757 S CB -0.199 62.975 63.200 -0.043 0.000 0.772 757 S HN 0.451 nan 8.310 nan 0.000 0.531 758 K N 0.000 120.286 120.400 -0.190 0.000 2.780 758 K HA 0.000 4.321 4.320 0.002 0.000 0.191 758 K CA 0.000 56.225 56.287 -0.103 0.000 0.838 758 K CB 0.000 32.475 32.500 -0.041 0.000 1.064 758 K HN 0.000 nan 8.250 nan 0.000 0.543