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 1jzs_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFKEVGEPNF PKLEEEVLAF WKREKIFQKS VENRKGGPRY TVYEGPPTAN DATA SEQUENCE GLPHVGHAQA RSYKDLFPRY KTMRGYYAPR RAGWDTHGLP VELEVEKKLG DATA SEQUENCE LKSKREIEAY GIERFNQACR ESVFTYEKEW EAFTERIAYW VDLEDAYATL DATA SEQUENCE EPTYIESIWW SLKNLFDRGL LYRDHKVVPY CPRCGTPLSS HEVALGYKEI DATA SEQUENCE QDPSVYVRFP LKEPKKLGLE KASLLIWTTT PWTLPGNVAA AVHPEYTYAA DATA SEQUENCE FQVGDEALIL EEGLGRKLLG EGTQVLKTFP GKALEGLPYT PPYPQALEKG DATA SEQUENCE YFVVLADYVS QEDGTGIVHQ APAFGAEDLE TARVYGLPLL KTVDEEGKLL DATA SEQUENCE VEPFKGLYFR EANRAILRDL RGRGLLFKEE SYLHSYPHCW RCSTPLMYYA DATA SEQUENCE TESWFIKNTL FKDELIRNNQ EIHWVPPHIK EGRYGEWLKN LVDWALSRNR DATA SEQUENCE YWGTPLPIWV CQACGKEEAI GSFQELKARA TKPLPEPFDP HRPYVDQVEL DATA SEQUENCE ACACGGTMRR VPYVIDVWYD SGAMPFASLH YPFEHEEVFR ESFPADFIAE DATA SEQUENCE GIDQTRGWFN SLHQLGVMLF GSIAFKNVIC HGLILDEKGQ KMSKSKGNVV DATA SEQUENCE DPWDIIRKFG ADALRWYIYV SAPPEADRRF GPNLVRETVR DYFLTLWNVY DATA SEQUENCE SFFVTYANLD RPDLKNPPPP EKRPEMDRWL LARMQDLIQR VTEALEAYDP DATA SEQUENCE TTSARALRDF VVEDLSQWYV RRNRRRFWKN EDALDREAAY ATLYEALVLV DATA SEQUENCE ATLAAPFTPF LAEVLWQNLV RSVRLEAKES VHLADWPEAD PALADEALVA DATA SEQUENCE QMRAVLKVVD LARAARAKSG V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.002 176.300 -0.496 0.000 1.140 1 M CA 0.000 55.063 55.300 -0.395 0.000 0.988 1 M CB 0.000 32.263 32.600 -0.562 0.000 1.302 2 F N 2.113 122.023 119.950 -0.068 0.000 2.538 2 F HA 0.529 5.053 4.527 -0.004 0.000 0.325 2 F C 0.307 176.084 175.800 -0.038 0.000 1.066 2 F CA -0.676 57.307 58.000 -0.028 0.000 0.946 2 F CB 1.104 40.100 39.000 -0.006 0.000 1.199 2 F HN -0.161 nan 8.300 nan 0.000 0.473 3 K N 1.596 122.116 120.400 0.198 0.000 2.319 3 K HA 0.080 4.397 4.320 -0.004 0.000 0.265 3 K C -0.056 176.574 176.600 0.051 0.000 1.000 3 K CA -0.491 55.854 56.287 0.097 0.000 0.943 3 K CB 0.503 33.065 32.500 0.103 0.000 0.950 3 K HN 0.659 nan 8.250 nan 0.000 0.485 4 E N 3.297 123.505 120.200 0.013 0.000 2.360 4 E HA -0.016 4.331 4.350 -0.004 0.000 0.269 4 E C 0.973 177.550 176.600 -0.038 0.000 1.022 4 E CA -0.305 56.077 56.400 -0.031 0.000 0.887 4 E CB 0.772 30.458 29.700 -0.024 0.000 0.990 4 E HN 0.427 nan 8.360 nan 0.000 0.426 5 V N 1.965 121.804 119.914 -0.125 0.000 2.259 5 V HA 0.228 4.346 4.120 -0.004 0.000 0.226 5 V C 1.276 177.425 176.094 0.091 0.000 1.016 5 V CA 1.207 63.428 62.300 -0.132 0.000 1.000 5 V CB -1.882 29.709 31.823 -0.386 0.000 0.647 5 V HN 1.175 nan 8.190 nan 0.000 0.466 6 G N -0.798 108.076 108.800 0.124 0.000 2.409 6 G HA2 0.002 3.960 3.960 -0.004 0.000 0.421 6 G HA3 0.002 3.960 3.960 -0.004 0.000 0.421 6 G C -0.956 174.097 174.900 0.254 0.000 1.259 6 G CA -0.176 45.018 45.100 0.155 0.000 1.011 6 G HN 0.882 nan 8.290 nan 0.000 0.497 7 E N 0.676 120.935 120.200 0.098 0.000 2.392 7 E HA 0.473 4.820 4.350 -0.004 0.000 0.256 7 E C -1.897 174.528 176.600 -0.292 0.000 1.145 7 E CA -0.975 55.407 56.400 -0.029 0.000 0.929 7 E CB 0.532 30.177 29.700 -0.092 0.000 0.998 7 E HN 0.272 nan 8.360 nan 0.000 0.442 8 P HA 0.098 nan 4.420 nan 0.000 0.214 8 P C -0.848 175.678 177.300 -1.290 0.000 1.807 8 P CA -0.115 62.072 63.100 -1.522 0.000 0.921 8 P CB -0.093 30.837 31.700 -1.283 0.000 1.835 9 N N 0.968 119.209 118.700 -0.765 0.000 2.819 9 N HA 0.052 4.789 4.740 -0.004 0.000 0.284 9 N C 0.672 175.928 175.510 -0.422 0.000 1.196 9 N CA -0.040 52.729 53.050 -0.467 0.000 1.114 9 N CB -0.355 37.983 38.487 -0.248 0.000 1.437 9 N HN 0.085 nan 8.380 nan 0.000 0.518 10 F N 2.070 121.898 119.950 -0.203 0.000 2.091 10 F HA -0.112 4.413 4.527 -0.004 0.000 0.299 10 F C -0.337 175.391 175.800 -0.120 0.000 1.103 10 F CA 1.036 58.956 58.000 -0.133 0.000 1.228 10 F CB -1.420 37.541 39.000 -0.065 0.000 0.984 10 F HN 0.365 nan 8.300 nan 0.000 0.477 11 P HA -0.234 nan 4.420 nan 0.000 0.216 11 P C 1.363 178.629 177.300 -0.056 0.000 1.154 11 P CA 1.904 64.993 63.100 -0.018 0.000 0.865 11 P CB -0.080 31.607 31.700 -0.020 0.000 0.789 12 K N -0.290 120.076 120.400 -0.056 0.000 2.031 12 K HA -0.067 4.250 4.320 -0.004 0.000 0.205 12 K C 2.056 178.629 176.600 -0.046 0.000 1.049 12 K CA 0.985 57.242 56.287 -0.049 0.000 0.939 12 K CB -0.642 31.828 32.500 -0.051 0.000 0.717 12 K HN 0.019 nan 8.250 nan 0.000 0.438 13 L N 1.187 122.387 121.223 -0.039 0.000 2.043 13 L HA -0.256 4.081 4.340 -0.004 0.000 0.212 13 L C 2.307 179.161 176.870 -0.026 0.000 1.075 13 L CA 1.680 56.523 54.840 0.005 0.000 0.752 13 L CB -0.597 41.498 42.059 0.059 0.000 0.891 13 L HN 0.328 nan 8.230 nan 0.000 0.432 14 E N 0.091 120.213 120.200 -0.130 0.000 2.077 14 E HA -0.244 4.103 4.350 -0.004 0.000 0.193 14 E C 2.056 178.492 176.600 -0.274 0.000 0.989 14 E CA 1.286 57.440 56.400 -0.411 0.000 0.800 14 E CB -0.175 28.921 29.700 -1.006 0.000 0.746 14 E HN 0.569 nan 8.360 nan 0.000 0.452 15 E N 1.025 121.127 120.200 -0.163 0.000 2.085 15 E HA -0.210 4.138 4.350 -0.004 0.000 0.194 15 E C 2.060 178.654 176.600 -0.009 0.000 0.994 15 E CA 1.032 57.400 56.400 -0.053 0.000 0.801 15 E CB -0.015 29.675 29.700 -0.015 0.000 0.743 15 E HN 0.290 nan 8.360 nan 0.000 0.453 16 E N 0.154 120.348 120.200 -0.010 0.000 2.038 16 E HA -0.193 4.155 4.350 -0.004 0.000 0.195 16 E C 2.213 178.816 176.600 0.004 0.000 1.000 16 E CA 1.385 57.797 56.400 0.020 0.000 0.803 16 E CB 0.021 29.737 29.700 0.027 0.000 0.750 16 E HN 0.068 nan 8.360 nan 0.000 0.448 17 V N 1.333 121.204 119.914 -0.070 0.000 2.287 17 V HA -0.261 3.856 4.120 -0.004 0.000 0.248 17 V C 2.337 178.200 176.094 -0.386 0.000 1.053 17 V CA 1.479 63.625 62.300 -0.256 0.000 1.027 17 V CB -0.470 31.201 31.823 -0.253 0.000 0.646 17 V HN 0.258 nan 8.190 nan 0.000 0.447 18 L N 0.720 121.841 121.223 -0.171 0.000 2.127 18 L HA -0.140 4.198 4.340 -0.004 0.000 0.211 18 L C 2.417 179.382 176.870 0.159 0.000 1.089 18 L CA 2.251 57.115 54.840 0.041 0.000 0.757 18 L CB -1.003 41.189 42.059 0.221 0.000 0.899 18 L HN 0.256 nan 8.230 nan 0.000 0.434 19 A N -0.963 121.931 122.820 0.124 0.000 1.873 19 A HA -0.264 4.054 4.320 -0.004 0.000 0.215 19 A C 2.262 179.974 177.584 0.214 0.000 1.186 19 A CA 1.694 53.825 52.037 0.157 0.000 0.616 19 A CB -1.192 17.883 19.000 0.125 0.000 0.823 19 A HN 0.521 nan 8.150 nan 0.000 0.442 20 F N -0.263 119.707 119.950 0.035 0.000 2.120 20 F HA -0.229 4.295 4.527 -0.004 0.000 0.300 20 F C 1.961 177.895 175.800 0.224 0.000 1.095 20 F CA 1.706 59.758 58.000 0.087 0.000 1.249 20 F CB -0.354 38.669 39.000 0.039 0.000 0.995 20 F HN 0.387 nan 8.300 nan 0.000 0.480 21 W N 0.936 122.518 121.300 0.470 0.000 2.363 21 W HA -0.090 4.567 4.660 -0.004 0.000 0.296 21 W C 2.400 178.959 176.519 0.066 0.000 1.212 21 W CA 0.818 58.329 57.345 0.275 0.000 1.260 21 W CB -1.259 28.413 29.460 0.354 0.000 1.131 21 W HN -0.010 nan 8.180 nan 0.000 0.530 22 K N 0.351 120.942 120.400 0.319 0.000 2.211 22 K HA -0.121 4.196 4.320 -0.004 0.000 0.203 22 K C 1.979 178.629 176.600 0.082 0.000 1.050 22 K CA 0.815 57.207 56.287 0.175 0.000 0.945 22 K CB -0.120 32.483 32.500 0.172 0.000 0.732 22 K HN 0.108 nan 8.250 nan 0.000 0.451 23 R N 1.075 121.603 120.500 0.047 0.000 2.082 23 R HA -0.020 4.318 4.340 -0.004 0.000 0.218 23 R C 1.129 177.377 176.300 -0.086 0.000 1.171 23 R CA 1.177 57.259 56.100 -0.030 0.000 0.914 23 R CB -0.050 30.210 30.300 -0.067 0.000 0.806 23 R HN 0.022 nan 8.270 nan 0.000 0.453 24 E N 1.738 121.812 120.200 -0.210 0.000 2.379 24 E HA -0.043 4.304 4.350 -0.004 0.000 0.209 24 E C -0.747 175.786 176.600 -0.112 0.000 1.284 24 E CA 0.080 56.371 56.400 -0.182 0.000 1.333 24 E CB -0.047 29.489 29.700 -0.273 0.000 1.307 24 E HN 0.241 nan 8.360 nan 0.000 0.441 25 K N 0.640 120.999 120.400 -0.067 0.000 3.333 25 K HA -0.227 4.091 4.320 -0.004 0.000 0.267 25 K C 1.045 177.586 176.600 -0.099 0.000 0.863 25 K CA -0.107 56.143 56.287 -0.061 0.000 0.646 25 K CB -0.823 31.640 32.500 -0.062 0.000 1.499 25 K HN 0.319 nan 8.250 nan 0.000 0.461 26 I N 0.179 120.702 120.570 -0.078 0.000 2.074 26 I HA -0.340 3.827 4.170 -0.004 0.000 0.238 26 I C 2.236 178.176 176.117 -0.295 0.000 1.037 26 I CA 1.771 63.004 61.300 -0.113 0.000 1.301 26 I CB -1.198 36.790 38.000 -0.019 0.000 1.016 26 I HN 0.348 nan 8.210 nan 0.000 0.400 27 F N 1.785 121.223 119.950 -0.855 0.000 2.043 27 F HA -0.304 4.220 4.527 -0.004 0.000 0.297 27 F C 2.818 178.378 175.800 -0.401 0.000 1.118 27 F CA 2.417 59.821 58.000 -0.994 0.000 1.202 27 F CB -0.991 37.229 39.000 -1.299 0.000 0.965 27 F HN 0.209 nan 8.300 nan 0.000 0.482 28 Q N 0.210 119.671 119.800 -0.565 0.000 2.181 28 Q HA -0.234 4.104 4.340 -0.004 0.000 0.205 28 Q C 2.201 178.024 176.000 -0.294 0.000 0.980 28 Q CA 1.886 57.385 55.803 -0.506 0.000 0.862 28 Q CB -0.075 28.492 28.738 -0.286 0.000 0.905 28 Q HN 0.523 nan 8.270 nan 0.000 0.429 29 K N 0.010 120.294 120.400 -0.193 0.000 2.007 29 K HA -0.097 4.221 4.320 -0.004 0.000 0.206 29 K C 2.275 178.839 176.600 -0.061 0.000 1.047 29 K CA 1.413 57.643 56.287 -0.095 0.000 0.937 29 K CB -0.210 32.261 32.500 -0.049 0.000 0.718 29 K HN 0.236 nan 8.250 nan 0.000 0.438 30 S N 0.793 116.466 115.700 -0.045 0.000 2.407 30 S HA -0.172 4.296 4.470 -0.004 0.000 0.235 30 S C 2.052 176.669 174.600 0.029 0.000 1.036 30 S CA 1.608 59.830 58.200 0.035 0.000 1.013 30 S CB -0.683 62.603 63.200 0.143 0.000 0.820 30 S HN 0.047 nan 8.310 nan 0.000 0.476 31 V N 1.662 121.545 119.914 -0.053 0.000 2.374 31 V HA -0.004 4.113 4.120 -0.004 0.000 0.241 31 V C 2.737 178.905 176.094 0.123 0.000 1.034 31 V CA 1.530 63.839 62.300 0.015 0.000 1.037 31 V CB -0.796 30.928 31.823 -0.165 0.000 0.682 31 V HN 0.542 nan 8.190 nan 0.000 0.463 32 E N 0.769 120.984 120.200 0.024 0.000 2.114 32 E HA -0.321 4.026 4.350 -0.004 0.000 0.199 32 E C 1.804 178.408 176.600 0.007 0.000 1.008 32 E CA 1.874 58.285 56.400 0.019 0.000 0.810 32 E CB -0.143 29.538 29.700 -0.031 0.000 0.739 32 E HN 0.549 nan 8.360 nan 0.000 0.456 33 N N 0.007 118.713 118.700 0.011 0.000 2.588 33 N HA -0.107 4.630 4.740 -0.004 0.000 0.190 33 N C 0.639 176.155 175.510 0.011 0.000 1.094 33 N CA 0.710 53.766 53.050 0.010 0.000 0.921 33 N CB 0.146 38.646 38.487 0.022 0.000 0.959 33 N HN 0.089 nan 8.380 nan 0.000 0.448 34 R N -0.156 120.368 120.500 0.040 0.000 2.543 34 R HA 0.174 4.511 4.340 -0.004 0.000 0.323 34 R C 0.154 176.407 176.300 -0.078 0.000 1.002 34 R CA -0.409 55.714 56.100 0.037 0.000 1.106 34 R CB 0.068 30.452 30.300 0.140 0.000 1.280 34 R HN 0.013 nan 8.270 nan 0.000 0.549 35 K N 0.541 120.805 120.400 -0.227 0.000 2.455 35 K HA 0.086 4.403 4.320 -0.004 0.000 0.269 35 K C 1.263 177.680 176.600 -0.304 0.000 0.972 35 K CA 1.617 57.599 56.287 -0.507 0.000 0.938 35 K CB -0.065 32.223 32.500 -0.354 0.000 0.931 35 K HN 0.302 nan 8.250 nan 0.000 0.507 36 G N 0.675 109.288 108.800 -0.310 0.000 2.257 36 G HA2 -0.268 3.690 3.960 -0.004 0.000 0.267 36 G HA3 -0.268 3.690 3.960 -0.004 0.000 0.267 36 G C 0.570 175.402 174.900 -0.112 0.000 0.984 36 G CA 0.689 45.691 45.100 -0.163 0.000 0.626 36 G HN 0.938 nan 8.290 nan 0.000 0.540 37 G N 0.546 109.281 108.800 -0.109 0.000 2.580 37 G HA2 0.629 4.587 3.960 -0.004 0.000 0.278 37 G HA3 0.629 4.587 3.960 -0.004 0.000 0.278 37 G C -1.751 173.151 174.900 0.004 0.000 1.212 37 G CA -0.315 44.748 45.100 -0.062 0.000 0.939 37 G HN 0.334 nan 8.290 nan 0.000 0.513 38 P HA 0.175 nan 4.420 nan 0.000 0.271 38 P C -0.243 177.225 177.300 0.281 0.000 1.226 38 P CA -0.355 62.787 63.100 0.070 0.000 0.765 38 P CB 1.062 32.727 31.700 -0.058 0.000 0.835 39 R N 3.374 124.044 120.500 0.283 0.000 2.590 39 R HA 0.129 4.466 4.340 -0.004 0.000 0.274 39 R C -1.113 175.376 176.300 0.315 0.000 1.061 39 R CA 0.012 56.296 56.100 0.306 0.000 1.081 39 R CB -0.010 30.416 30.300 0.210 0.000 0.984 39 R HN 0.494 nan 8.270 nan 0.000 0.448 40 Y N 3.869 124.227 120.300 0.097 0.000 2.594 40 Y HA 0.230 4.778 4.550 -0.004 0.000 0.338 40 Y C -0.919 174.957 175.900 -0.040 0.000 1.019 40 Y CA -0.498 57.584 58.100 -0.030 0.000 1.306 40 Y CB 1.155 39.540 38.460 -0.125 0.000 1.094 40 Y HN 0.744 nan 8.280 nan 0.000 0.534 41 T N 4.070 118.423 114.554 -0.334 0.000 2.845 41 T HA 0.727 5.075 4.350 -0.004 0.000 0.288 41 T C -1.196 173.260 174.700 -0.405 0.000 0.980 41 T CA -0.297 61.645 62.100 -0.263 0.000 1.071 41 T CB 0.690 69.474 68.868 -0.141 0.000 0.941 41 T HN 0.337 nan 8.240 nan 0.000 0.487 42 V N 5.170 124.997 119.914 -0.145 0.000 2.789 42 V HA 0.521 4.639 4.120 -0.004 0.000 0.311 42 V C -1.285 174.940 176.094 0.219 0.000 1.073 42 V CA -0.915 61.369 62.300 -0.026 0.000 0.921 42 V CB 1.860 33.788 31.823 0.175 0.000 1.009 42 V HN 0.857 nan 8.190 nan 0.000 0.426 43 Y N 1.998 122.387 120.300 0.148 0.000 2.446 43 Y HA 0.647 5.194 4.550 -0.004 0.000 0.338 43 Y C 0.235 176.332 175.900 0.329 0.000 1.055 43 Y CA -1.844 56.410 58.100 0.258 0.000 1.101 43 Y CB 1.646 40.309 38.460 0.339 0.000 1.221 43 Y HN 0.770 nan 8.280 nan 0.000 0.460 44 E N 0.729 121.186 120.200 0.430 0.000 2.183 44 E HA 0.622 4.970 4.350 -0.004 0.000 0.271 44 E C -0.223 176.263 176.600 -0.191 0.000 0.919 44 E CA -0.977 55.549 56.400 0.210 0.000 0.781 44 E CB 1.393 31.201 29.700 0.180 0.000 1.140 44 E HN 0.822 nan 8.360 nan 0.000 0.402 45 G N 4.692 113.129 108.800 -0.606 0.000 2.334 45 G HA2 0.200 4.158 3.960 -0.004 0.000 0.261 45 G HA3 0.200 4.158 3.960 -0.004 0.000 0.261 45 G C -2.107 172.372 174.900 -0.701 0.000 1.257 45 G CA -1.120 43.108 45.100 -1.452 0.000 0.935 45 G HN 0.522 nan 8.290 nan 0.000 0.480 46 P HA 0.146 nan 4.420 nan 0.000 0.264 46 P C -2.363 174.734 177.300 -0.339 0.000 1.229 46 P CA -0.870 61.975 63.100 -0.424 0.000 0.780 46 P CB 1.373 32.918 31.700 -0.258 0.000 0.808 47 P HA 0.325 nan 4.420 nan 0.000 0.297 47 P C -0.661 176.583 177.300 -0.093 0.000 1.307 47 P CA -0.271 62.715 63.100 -0.191 0.000 0.773 47 P CB 1.068 32.596 31.700 -0.287 0.000 1.265 48 T N -0.356 114.197 114.554 -0.001 0.000 2.876 48 T HA 0.510 4.858 4.350 -0.004 0.000 0.289 48 T C 0.291 174.992 174.700 0.002 0.000 1.014 48 T CA -0.343 61.776 62.100 0.033 0.000 0.986 48 T CB 1.440 70.308 68.868 0.000 0.000 1.021 48 T HN 0.389 nan 8.240 nan 0.000 0.458 49 A N 2.274 124.988 122.820 -0.178 0.000 2.797 49 A HA 0.224 4.542 4.320 -0.004 0.000 0.287 49 A C 1.123 178.804 177.584 0.161 0.000 1.369 49 A CA -0.475 51.511 52.037 -0.085 0.000 0.968 49 A CB -1.103 17.581 19.000 -0.526 0.000 1.069 49 A HN 0.919 nan 8.150 nan 0.000 0.571 50 N N -1.104 117.678 118.700 0.138 0.000 2.214 50 N HA 0.348 5.086 4.740 -0.004 0.000 0.214 50 N C 0.483 176.118 175.510 0.208 0.000 1.132 50 N CA 0.290 53.452 53.050 0.186 0.000 0.856 50 N CB 0.635 39.140 38.487 0.030 0.000 1.020 50 N HN 0.262 nan 8.380 nan 0.000 0.509 51 G N 0.286 109.163 108.800 0.128 0.000 2.660 51 G HA2 0.458 4.415 3.960 -0.004 0.000 0.290 51 G HA3 0.458 4.415 3.960 -0.004 0.000 0.290 51 G C -0.991 173.773 174.900 -0.227 0.000 1.432 51 G CA -0.863 44.148 45.100 -0.148 0.000 0.807 51 G HN 0.045 nan 8.290 nan 0.000 0.485 52 L N 0.234 121.211 121.223 -0.411 0.000 2.479 52 L HA 0.438 4.776 4.340 -0.004 0.000 0.249 52 L C -1.876 174.783 176.870 -0.351 0.000 1.178 52 L CA -1.565 53.011 54.840 -0.440 0.000 0.811 52 L CB 1.077 42.904 42.059 -0.387 0.000 1.187 52 L HN 0.266 nan 8.230 nan 0.000 0.480 53 P HA 0.323 nan 4.420 nan 0.000 0.280 53 P C -1.522 175.516 177.300 -0.436 0.000 1.272 53 P CA -0.304 62.218 63.100 -0.964 0.000 0.819 53 P CB 0.887 31.406 31.700 -1.969 0.000 1.122 54 H N -2.737 116.238 119.070 -0.158 0.000 3.014 54 H HA 0.372 4.926 4.556 -0.004 0.000 0.337 54 H C -0.747 174.522 175.328 -0.099 0.000 1.320 54 H CA -1.304 54.669 56.048 -0.126 0.000 1.128 54 H CB 0.474 30.206 29.762 -0.050 0.000 1.862 54 H HN 0.232 nan 8.280 nan 0.000 0.536 55 V N -0.500 119.452 119.914 0.063 0.000 2.720 55 V HA 0.407 4.524 4.120 -0.004 0.000 0.307 55 V C 1.165 177.301 176.094 0.069 0.000 1.071 55 V CA 1.302 63.566 62.300 -0.060 0.000 1.199 55 V CB 0.079 31.744 31.823 -0.263 0.000 0.900 55 V HN 1.389 nan 8.190 nan 0.000 0.494 56 G N 2.704 111.497 108.800 -0.010 0.000 2.436 56 G HA2 -0.220 3.738 3.960 -0.004 0.000 0.204 56 G HA3 -0.220 3.738 3.960 -0.004 0.000 0.204 56 G C 0.635 175.539 174.900 0.008 0.000 1.026 56 G CA 0.536 45.681 45.100 0.073 0.000 0.658 56 G HN 0.902 nan 8.290 nan 0.000 0.499 57 H N 0.684 119.664 119.070 -0.150 0.000 2.448 57 H HA 0.473 5.027 4.556 -0.004 0.000 0.292 57 H C 2.843 178.160 175.328 -0.020 0.000 1.035 57 H CA 1.447 57.416 56.048 -0.132 0.000 1.349 57 H CB 0.293 29.883 29.762 -0.287 0.000 1.425 57 H HN 0.545 nan 8.280 nan 0.000 0.539 58 A N 0.381 123.268 122.820 0.112 0.000 1.898 58 A HA -0.147 4.171 4.320 -0.004 0.000 0.214 58 A C 2.121 179.607 177.584 -0.163 0.000 1.183 58 A CA 1.140 53.209 52.037 0.054 0.000 0.622 58 A CB -0.330 18.707 19.000 0.062 0.000 0.824 58 A HN 0.420 nan 8.150 nan 0.000 0.444 59 Q N -0.329 119.340 119.800 -0.218 0.000 2.084 59 Q HA -0.126 4.211 4.340 -0.004 0.000 0.202 59 Q C 2.199 177.856 176.000 -0.572 0.000 0.978 59 Q CA 1.477 57.017 55.803 -0.439 0.000 0.844 59 Q CB -0.322 28.226 28.738 -0.318 0.000 0.898 59 Q HN 0.587 nan 8.270 nan 0.000 0.426 60 A N 1.303 123.971 122.820 -0.253 0.000 1.865 60 A HA -0.210 4.108 4.320 -0.004 0.000 0.217 60 A C 2.065 179.615 177.584 -0.056 0.000 1.191 60 A CA 1.655 53.652 52.037 -0.066 0.000 0.623 60 A CB -0.574 18.512 19.000 0.143 0.000 0.826 60 A HN 0.370 nan 8.150 nan 0.000 0.444 61 R N -0.114 120.293 120.500 -0.154 0.000 2.189 61 R HA -0.025 4.313 4.340 -0.004 0.000 0.223 61 R C 2.046 178.281 176.300 -0.108 0.000 1.092 61 R CA 1.212 57.150 56.100 -0.270 0.000 0.989 61 R CB -0.274 29.686 30.300 -0.567 0.000 0.876 61 R HN 0.487 nan 8.270 nan 0.000 0.457 62 S N -0.252 115.331 115.700 -0.195 0.000 2.515 62 S HA -0.031 4.436 4.470 -0.004 0.000 0.231 62 S C 1.059 175.713 174.600 0.090 0.000 0.987 62 S CA 0.739 58.855 58.200 -0.141 0.000 0.936 62 S CB -0.003 62.946 63.200 -0.419 0.000 0.766 62 S HN 0.422 nan 8.310 nan 0.000 0.528 63 Y N 0.952 121.397 120.300 0.243 0.000 2.422 63 Y HA 0.178 4.726 4.550 -0.004 0.000 0.291 63 Y C 2.127 178.360 175.900 0.555 0.000 1.144 63 Y CA -0.010 58.344 58.100 0.423 0.000 1.208 63 Y CB 0.026 38.715 38.460 0.381 0.000 1.195 63 Y HN 0.032 nan 8.280 nan 0.000 0.535 64 K N 0.319 121.101 120.400 0.635 0.000 2.360 64 K HA -0.184 4.134 4.320 -0.004 0.000 0.201 64 K C 0.907 177.817 176.600 0.516 0.000 1.046 64 K CA 1.771 58.449 56.287 0.652 0.000 0.945 64 K CB -0.045 32.772 32.500 0.527 0.000 0.750 64 K HN 0.313 nan 8.250 nan 0.000 0.464 65 D N -0.010 120.614 120.400 0.372 0.000 2.338 65 D HA 0.004 4.642 4.640 -0.004 0.000 0.224 65 D C 1.693 177.965 176.300 -0.046 0.000 0.967 65 D CA 0.072 54.175 54.000 0.171 0.000 0.896 65 D CB 0.185 41.079 40.800 0.156 0.000 1.028 65 D HN 0.030 nan 8.370 nan 0.000 0.493 66 L N -0.285 120.880 121.223 -0.097 0.000 2.013 66 L HA -0.191 4.147 4.340 -0.004 0.000 0.212 66 L C 1.850 178.341 176.870 -0.631 0.000 1.073 66 L CA 1.447 56.017 54.840 -0.451 0.000 0.753 66 L CB -0.333 41.347 42.059 -0.632 0.000 0.890 66 L HN 0.100 nan 8.230 nan 0.000 0.432 67 F N -0.155 119.635 119.950 -0.266 0.000 2.146 67 F HA -0.087 4.438 4.527 -0.004 0.000 0.298 67 F C -0.363 175.257 175.800 -0.300 0.000 1.096 67 F CA 1.196 58.982 58.000 -0.356 0.000 1.275 67 F CB -1.959 36.717 39.000 -0.540 0.000 1.008 67 F HN 0.177 nan 8.300 nan 0.000 0.480 68 P HA -0.103 nan 4.420 nan 0.000 0.220 68 P C 1.260 178.467 177.300 -0.155 0.000 1.148 68 P CA 1.457 64.552 63.100 -0.008 0.000 0.803 68 P CB -0.028 31.775 31.700 0.173 0.000 0.782 69 R N -1.424 118.944 120.500 -0.219 0.000 2.064 69 R HA -0.163 4.175 4.340 -0.004 0.000 0.228 69 R C 2.422 178.553 176.300 -0.280 0.000 1.144 69 R CA 1.517 57.454 56.100 -0.273 0.000 0.932 69 R CB -1.474 28.570 30.300 -0.427 0.000 0.833 69 R HN 0.174 nan 8.270 nan 0.000 0.429 70 Y N 2.377 122.369 120.300 -0.515 0.000 2.132 70 Y HA -0.331 4.217 4.550 -0.004 0.000 0.280 70 Y C 1.941 177.534 175.900 -0.512 0.000 1.193 70 Y CA 1.684 59.406 58.100 -0.629 0.000 1.157 70 Y CB -0.082 37.834 38.460 -0.907 0.000 0.966 70 Y HN -0.134 nan 8.280 nan 0.000 0.511 71 K N -0.281 119.703 120.400 -0.693 0.000 2.057 71 K HA -0.116 4.201 4.320 -0.004 0.000 0.206 71 K C 2.262 178.688 176.600 -0.290 0.000 1.050 71 K CA 1.853 57.703 56.287 -0.727 0.000 0.935 71 K CB -1.165 30.629 32.500 -1.177 0.000 0.715 71 K HN 0.653 nan 8.250 nan 0.000 0.439 72 T N -0.907 113.535 114.554 -0.187 0.000 2.821 72 T HA -0.053 4.294 4.350 -0.004 0.000 0.267 72 T C 2.002 176.670 174.700 -0.053 0.000 1.046 72 T CA 0.812 62.889 62.100 -0.038 0.000 1.139 72 T CB -0.179 68.703 68.868 0.023 0.000 0.871 72 T HN 0.049 nan 8.240 nan 0.000 0.454 73 M N 0.492 120.031 119.600 -0.101 0.000 2.629 73 M HA 0.082 4.559 4.480 -0.004 0.000 0.257 73 M C 1.891 178.171 176.300 -0.033 0.000 1.071 73 M CA 1.113 56.398 55.300 -0.025 0.000 1.077 73 M CB -0.152 32.490 32.600 0.070 0.000 1.423 73 M HN 0.208 nan 8.290 nan 0.000 0.508 74 R N -0.793 119.618 120.500 -0.148 0.000 2.543 74 R HA 0.226 4.564 4.340 -0.004 0.000 0.323 74 R C 0.875 177.093 176.300 -0.136 0.000 1.002 74 R CA 0.446 56.463 56.100 -0.138 0.000 1.106 74 R CB 0.893 31.009 30.300 -0.306 0.000 1.280 74 R HN 0.469 nan 8.270 nan 0.000 0.549 75 G N 0.392 109.131 108.800 -0.102 0.000 2.179 75 G HA2 -0.269 3.689 3.960 -0.004 0.000 0.220 75 G HA3 -0.269 3.689 3.960 -0.004 0.000 0.220 75 G C -0.265 174.516 174.900 -0.199 0.000 0.990 75 G CA -0.438 44.566 45.100 -0.160 0.000 0.646 75 G HN 0.210 nan 8.290 nan 0.000 0.517 76 Y N -0.530 119.731 120.300 -0.065 0.000 2.307 76 Y HA 0.561 5.109 4.550 -0.004 0.000 0.324 76 Y C 0.447 176.413 175.900 0.110 0.000 1.238 76 Y CA -0.975 57.134 58.100 0.015 0.000 1.280 76 Y CB 0.711 39.156 38.460 -0.025 0.000 1.248 76 Y HN 0.186 nan 8.280 nan 0.000 0.508 77 Y N 2.347 122.748 120.300 0.168 0.000 2.594 77 Y HA 0.585 5.133 4.550 -0.004 0.000 0.342 77 Y C -0.463 175.535 175.900 0.165 0.000 1.010 77 Y CA -1.705 56.462 58.100 0.112 0.000 1.270 77 Y CB -0.011 38.490 38.460 0.069 0.000 1.125 77 Y HN 0.584 nan 8.280 nan 0.000 0.513 78 A N 8.664 131.482 122.820 -0.004 0.000 2.838 78 A HA 0.502 4.819 4.320 -0.004 0.000 0.337 78 A C -2.811 174.708 177.584 -0.108 0.000 1.383 78 A CA -1.677 50.362 52.037 0.003 0.000 0.985 78 A CB -0.518 18.597 19.000 0.193 0.000 1.157 78 A HN 0.575 nan 8.150 nan 0.000 0.497 79 P HA 0.380 nan 4.420 nan 0.000 0.276 79 P C -0.401 176.898 177.300 -0.002 0.000 1.264 79 P CA -0.001 62.968 63.100 -0.219 0.000 0.769 79 P CB 0.648 32.147 31.700 -0.335 0.000 0.840 80 R N 2.668 123.243 120.500 0.125 0.000 2.346 80 R HA 0.609 4.946 4.340 -0.004 0.000 0.311 80 R C 0.325 176.709 176.300 0.141 0.000 0.983 80 R CA -0.437 55.752 56.100 0.149 0.000 0.880 80 R CB 1.470 31.850 30.300 0.133 0.000 1.100 80 R HN 0.371 nan 8.270 nan 0.000 0.453 81 R N 1.129 121.706 120.500 0.128 0.000 2.854 81 R HA 0.836 5.174 4.340 -0.004 0.000 0.271 81 R C -1.310 175.051 176.300 0.102 0.000 0.994 81 R CA -0.752 55.422 56.100 0.124 0.000 0.945 81 R CB 1.929 32.321 30.300 0.154 0.000 1.194 81 R HN 0.718 nan 8.270 nan 0.000 0.476 82 A N 0.469 123.300 122.820 0.018 0.000 2.437 82 A HA 0.926 5.243 4.320 -0.004 0.000 0.292 82 A C -0.893 176.397 177.584 -0.490 0.000 1.173 82 A CA -0.409 51.518 52.037 -0.183 0.000 0.785 82 A CB 1.970 20.814 19.000 -0.260 0.000 1.351 82 A HN 0.830 nan 8.150 nan 0.000 0.431 83 G N -2.225 105.941 108.800 -1.057 0.000 2.506 83 G HA2 0.516 4.474 3.960 -0.004 0.000 0.292 83 G HA3 0.516 4.474 3.960 -0.004 0.000 0.292 83 G C -2.233 171.765 174.900 -1.503 0.000 1.425 83 G CA -0.599 43.469 45.100 -1.721 0.000 0.788 83 G HN 0.804 nan 8.290 nan 0.000 0.490 84 W N -0.014 120.875 121.300 -0.685 0.000 2.785 84 W HA 0.544 5.201 4.660 -0.004 0.000 0.333 84 W C -0.922 175.387 176.519 -0.350 0.000 1.062 84 W CA -0.638 56.456 57.345 -0.417 0.000 1.233 84 W CB 2.210 31.521 29.460 -0.248 0.000 1.413 84 W HN 0.509 nan 8.180 nan 0.000 0.489 85 D N 1.241 121.594 120.400 -0.079 0.000 2.411 85 D HA 0.187 4.824 4.640 -0.004 0.000 0.225 85 D C 0.914 177.155 176.300 -0.099 0.000 1.156 85 D CA 0.094 54.028 54.000 -0.110 0.000 0.874 85 D CB 0.900 41.627 40.800 -0.120 0.000 1.034 85 D HN 0.414 nan 8.370 nan 0.000 0.502 86 T N -0.414 114.040 114.554 -0.167 0.000 3.044 86 T HA 0.185 4.533 4.350 -0.004 0.000 0.260 86 T C 0.632 175.337 174.700 0.009 0.000 1.019 86 T CA 0.068 62.084 62.100 -0.141 0.000 0.921 86 T CB -0.234 68.492 68.868 -0.237 0.000 1.053 86 T HN 0.356 nan 8.240 nan 0.000 0.533 87 H N 0.343 119.345 119.070 -0.112 0.000 2.669 87 H HA 0.614 5.168 4.556 -0.004 0.000 0.318 87 H C 1.046 176.345 175.328 -0.047 0.000 1.429 87 H CA -0.455 55.447 56.048 -0.243 0.000 1.460 87 H CB 1.203 30.778 29.762 -0.312 0.000 1.784 87 H HN 0.515 nan 8.280 nan 0.000 0.750 88 G N -0.448 108.415 108.800 0.106 0.000 2.860 88 G HA2 -0.261 3.696 3.960 -0.004 0.000 0.553 88 G HA3 -0.261 3.696 3.960 -0.004 0.000 0.553 88 G C 0.741 175.711 174.900 0.117 0.000 1.439 88 G CA -0.097 45.068 45.100 0.108 0.000 0.879 88 G HN 0.582 nan 8.290 nan 0.000 0.545 89 L N 0.579 121.849 121.223 0.078 0.000 2.064 89 L HA -0.169 4.169 4.340 -0.004 0.000 0.216 89 L C 0.330 177.153 176.870 -0.078 0.000 1.077 89 L CA 2.758 57.604 54.840 0.010 0.000 0.766 89 L CB -1.296 40.744 42.059 -0.032 0.000 0.890 89 L HN 0.483 nan 8.230 nan 0.000 0.435 90 P HA -0.117 nan 4.420 nan 0.000 0.218 90 P C 1.836 179.097 177.300 -0.066 0.000 1.149 90 P CA 1.005 64.000 63.100 -0.176 0.000 0.817 90 P CB 0.157 31.749 31.700 -0.181 0.000 0.785 91 V N -0.261 119.658 119.914 0.009 0.000 2.331 91 V HA -0.167 3.951 4.120 -0.004 0.000 0.242 91 V C 2.271 178.383 176.094 0.030 0.000 1.034 91 V CA 1.614 63.938 62.300 0.041 0.000 1.027 91 V CB -1.042 30.880 31.823 0.165 0.000 0.667 91 V HN 0.089 nan 8.190 nan 0.000 0.457 92 E N -0.099 120.171 120.200 0.117 0.000 2.130 92 E HA -0.276 4.072 4.350 -0.004 0.000 0.196 92 E C 2.064 178.760 176.600 0.160 0.000 0.998 92 E CA 1.362 57.879 56.400 0.194 0.000 0.806 92 E CB -0.168 29.744 29.700 0.354 0.000 0.738 92 E HN 0.308 nan 8.360 nan 0.000 0.459 93 L N 0.997 122.253 121.223 0.056 0.000 2.141 93 L HA -0.151 4.186 4.340 -0.004 0.000 0.209 93 L C 2.130 178.994 176.870 -0.010 0.000 1.094 93 L CA 1.441 56.286 54.840 0.009 0.000 0.763 93 L CB -0.278 41.746 42.059 -0.058 0.000 0.908 93 L HN 0.025 nan 8.230 nan 0.000 0.437 94 E N -0.755 119.430 120.200 -0.025 0.000 2.107 94 E HA -0.077 4.270 4.350 -0.004 0.000 0.191 94 E C 2.385 178.959 176.600 -0.043 0.000 0.982 94 E CA 0.879 57.259 56.400 -0.034 0.000 0.809 94 E CB -0.313 29.367 29.700 -0.034 0.000 0.756 94 E HN 0.275 nan 8.360 nan 0.000 0.459 95 V N 1.332 121.209 119.914 -0.062 0.000 2.667 95 V HA -0.183 3.934 4.120 -0.004 0.000 0.252 95 V C 2.259 178.347 176.094 -0.009 0.000 1.065 95 V CA 1.412 63.649 62.300 -0.105 0.000 1.083 95 V CB -0.315 31.334 31.823 -0.290 0.000 0.692 95 V HN 0.208 nan 8.190 nan 0.000 0.468 96 E N 0.156 120.395 120.200 0.065 0.000 2.028 96 E HA -0.208 4.140 4.350 -0.004 0.000 0.191 96 E C 2.280 178.865 176.600 -0.025 0.000 0.988 96 E CA 1.325 57.752 56.400 0.046 0.000 0.799 96 E CB -0.009 29.713 29.700 0.036 0.000 0.755 96 E HN 0.573 nan 8.360 nan 0.000 0.447 97 K N 0.726 121.109 120.400 -0.027 0.000 1.978 97 K HA -0.191 4.126 4.320 -0.004 0.000 0.214 97 K C 2.162 178.739 176.600 -0.038 0.000 1.049 97 K CA 1.591 57.856 56.287 -0.035 0.000 0.939 97 K CB -0.216 32.265 32.500 -0.032 0.000 0.721 97 K HN -0.048 nan 8.250 nan 0.000 0.441 98 K N 0.858 121.235 120.400 -0.038 0.000 2.107 98 K HA -0.165 4.153 4.320 -0.004 0.000 0.211 98 K C 1.813 178.386 176.600 -0.045 0.000 1.049 98 K CA 1.391 57.655 56.287 -0.039 0.000 0.927 98 K CB -0.210 32.263 32.500 -0.046 0.000 0.714 98 K HN 0.150 nan 8.250 nan 0.000 0.452 99 L N 0.047 121.230 121.223 -0.066 0.000 2.611 99 L HA 0.114 4.451 4.340 -0.004 0.000 0.229 99 L C 0.564 177.393 176.870 -0.068 0.000 1.137 99 L CA -0.005 54.787 54.840 -0.081 0.000 0.901 99 L CB -0.191 41.758 42.059 -0.184 0.000 1.098 99 L HN 0.427 nan 8.230 nan 0.000 0.456 100 G N 1.478 110.245 108.800 -0.054 0.000 2.350 100 G HA2 -0.262 3.695 3.960 -0.004 0.000 0.298 100 G HA3 -0.262 3.695 3.960 -0.004 0.000 0.298 100 G C -0.566 174.297 174.900 -0.062 0.000 1.037 100 G CA -0.066 45.006 45.100 -0.047 0.000 1.074 100 G HN 0.123 nan 8.290 nan 0.000 0.511 101 L N -0.850 120.322 121.223 -0.085 0.000 2.341 101 L HA 0.604 4.941 4.340 -0.004 0.000 0.278 101 L C 0.960 177.774 176.870 -0.094 0.000 1.005 101 L CA -0.430 54.343 54.840 -0.111 0.000 0.818 101 L CB 1.860 43.809 42.059 -0.185 0.000 1.259 101 L HN 0.246 nan 8.230 nan 0.000 0.418 102 K N 0.403 120.750 120.400 -0.088 0.000 2.412 102 K HA 0.271 4.588 4.320 -0.004 0.000 0.202 102 K C 0.156 176.709 176.600 -0.078 0.000 1.102 102 K CA 0.111 56.351 56.287 -0.079 0.000 1.027 102 K CB 0.992 33.448 32.500 -0.073 0.000 0.931 102 K HN 0.670 nan 8.250 nan 0.000 0.557 103 S N -0.841 114.808 115.700 -0.084 0.000 2.685 103 S HA 0.360 4.828 4.470 -0.004 0.000 0.282 103 S C 0.245 174.799 174.600 -0.077 0.000 1.159 103 S CA -0.895 57.267 58.200 -0.064 0.000 0.833 103 S CB 2.034 65.207 63.200 -0.045 0.000 1.151 103 S HN -0.067 nan 8.310 nan 0.000 0.485 104 K N 0.500 120.884 120.400 -0.026 0.000 2.103 104 K HA -0.026 4.291 4.320 -0.004 0.000 0.204 104 K C 2.323 178.906 176.600 -0.029 0.000 1.052 104 K CA 1.375 57.669 56.287 0.012 0.000 0.945 104 K CB -0.229 32.334 32.500 0.105 0.000 0.722 104 K HN 0.719 nan 8.250 nan 0.000 0.443 105 R N 1.051 121.542 120.500 -0.016 0.000 2.148 105 R HA -0.064 4.273 4.340 -0.004 0.000 0.227 105 R C 1.625 177.889 176.300 -0.059 0.000 1.103 105 R CA 1.253 57.340 56.100 -0.023 0.000 0.983 105 R CB -0.282 30.017 30.300 -0.001 0.000 0.874 105 R HN 0.191 nan 8.270 nan 0.000 0.451 106 E N 1.344 121.498 120.200 -0.077 0.000 2.015 106 E HA -0.121 4.226 4.350 -0.004 0.000 0.191 106 E C 2.096 178.616 176.600 -0.133 0.000 0.991 106 E CA 1.461 57.813 56.400 -0.080 0.000 0.802 106 E CB -0.168 29.480 29.700 -0.086 0.000 0.759 106 E HN 0.295 nan 8.360 nan 0.000 0.447 107 I N 1.743 122.149 120.570 -0.273 0.000 2.181 107 I HA -0.338 3.829 4.170 -0.004 0.000 0.247 107 I C 2.341 178.221 176.117 -0.395 0.000 1.081 107 I CA 1.309 62.301 61.300 -0.512 0.000 1.340 107 I CB -0.388 37.079 38.000 -0.889 0.000 1.036 107 I HN 0.170 nan 8.210 nan 0.000 0.417 108 E N 0.817 120.840 120.200 -0.295 0.000 2.072 108 E HA -0.183 4.164 4.350 -0.004 0.000 0.191 108 E C 2.359 178.904 176.600 -0.091 0.000 0.985 108 E CA 1.389 57.672 56.400 -0.196 0.000 0.801 108 E CB -0.215 29.431 29.700 -0.090 0.000 0.750 108 E HN 0.555 nan 8.360 nan 0.000 0.452 109 A N 1.054 123.840 122.820 -0.055 0.000 1.933 109 A HA -0.200 4.117 4.320 -0.004 0.000 0.218 109 A C 2.055 179.640 177.584 0.003 0.000 1.175 109 A CA 1.225 53.249 52.037 -0.022 0.000 0.628 109 A CB -0.834 18.158 19.000 -0.013 0.000 0.814 109 A HN 0.351 nan 8.150 nan 0.000 0.444 110 Y N 0.184 120.416 120.300 -0.113 0.000 2.333 110 Y HA 0.234 4.782 4.550 -0.004 0.000 0.290 110 Y C 1.004 176.859 175.900 -0.075 0.000 1.144 110 Y CA 1.050 59.099 58.100 -0.086 0.000 1.228 110 Y CB -0.124 38.282 38.460 -0.090 0.000 0.985 110 Y HN 0.608 nan 8.280 nan 0.000 0.542 111 G N -0.449 108.390 108.800 0.064 0.000 3.055 111 G HA2 -0.163 3.794 3.960 -0.004 0.000 0.685 111 G HA3 -0.163 3.794 3.960 -0.004 0.000 0.685 111 G C 0.086 175.018 174.900 0.054 0.000 1.212 111 G CA -0.270 44.835 45.100 0.009 0.000 0.822 111 G HN 0.273 nan 8.290 nan 0.000 0.610 112 I N 0.750 121.305 120.570 -0.025 0.000 2.163 112 I HA -0.102 4.066 4.170 -0.004 0.000 0.240 112 I C 2.574 178.717 176.117 0.044 0.000 1.081 112 I CA 1.762 63.052 61.300 -0.016 0.000 1.353 112 I CB -0.128 37.862 38.000 -0.017 0.000 1.054 112 I HN 0.839 nan 8.210 nan 0.000 0.407 113 E N 1.100 121.289 120.200 -0.019 0.000 2.160 113 E HA -0.241 4.106 4.350 -0.004 0.000 0.195 113 E C 2.344 178.948 176.600 0.008 0.000 0.991 113 E CA 1.088 57.462 56.400 -0.043 0.000 0.810 113 E CB 0.156 29.825 29.700 -0.052 0.000 0.742 113 E HN 0.291 nan 8.360 nan 0.000 0.466 114 R N -0.289 120.244 120.500 0.055 0.000 2.062 114 R HA -0.085 4.252 4.340 -0.004 0.000 0.226 114 R C 2.269 178.676 176.300 0.179 0.000 1.125 114 R CA 1.012 57.176 56.100 0.107 0.000 0.966 114 R CB -0.932 29.417 30.300 0.081 0.000 0.861 114 R HN 0.275 nan 8.270 nan 0.000 0.433 115 F N 2.989 122.975 119.950 0.060 0.000 2.102 115 F HA -0.183 4.342 4.527 -0.004 0.000 0.298 115 F C 1.892 177.569 175.800 -0.205 0.000 1.105 115 F CA 1.394 59.333 58.000 -0.103 0.000 1.239 115 F CB -0.366 38.523 39.000 -0.186 0.000 0.991 115 F HN -0.036 nan 8.300 nan 0.000 0.474 116 N N 0.454 119.008 118.700 -0.244 0.000 2.069 116 N HA -0.226 4.512 4.740 -0.004 0.000 0.191 116 N C 1.935 176.980 175.510 -0.775 0.000 1.031 116 N CA 1.495 54.235 53.050 -0.517 0.000 0.852 116 N CB -0.787 37.637 38.487 -0.104 0.000 1.018 116 N HN 0.483 nan 8.380 nan 0.000 0.423 117 Q N 0.052 119.603 119.800 -0.415 0.000 2.197 117 Q HA -0.069 4.269 4.340 -0.004 0.000 0.207 117 Q C 1.751 177.508 176.000 -0.405 0.000 0.984 117 Q CA 1.621 57.218 55.803 -0.343 0.000 0.869 117 Q CB -0.074 28.573 28.738 -0.152 0.000 0.906 117 Q HN 0.433 nan 8.270 nan 0.000 0.426 118 A N -0.873 121.690 122.820 -0.428 0.000 2.014 118 A HA -0.127 4.190 4.320 -0.004 0.000 0.218 118 A C 2.150 179.398 177.584 -0.560 0.000 1.163 118 A CA 0.931 52.726 52.037 -0.403 0.000 0.652 118 A CB -0.478 18.317 19.000 -0.342 0.000 0.808 118 A HN 0.525 nan 8.150 nan 0.000 0.449 119 C N -1.378 117.398 119.300 -0.872 0.000 2.476 119 C HA 0.021 4.479 4.460 -0.004 0.000 0.278 119 C C 2.696 177.150 174.990 -0.892 0.000 1.274 119 C CA 0.993 59.399 59.018 -1.019 0.000 1.713 119 C CB -1.178 25.555 27.740 -1.678 0.000 2.039 119 C HN 0.726 nan 8.230 nan 0.000 0.484 120 R N 1.207 121.090 120.500 -1.028 0.000 2.096 120 R HA -0.183 4.154 4.340 -0.004 0.000 0.240 120 R C 2.035 178.135 176.300 -0.332 0.000 1.139 120 R CA 1.905 57.663 56.100 -0.571 0.000 0.952 120 R CB -0.226 29.792 30.300 -0.470 0.000 0.854 120 R HN 0.624 nan 8.270 nan 0.000 0.436 121 E N -0.397 119.618 120.200 -0.308 0.000 2.106 121 E HA -0.139 4.209 4.350 -0.004 0.000 0.192 121 E C 1.936 178.409 176.600 -0.211 0.000 0.984 121 E CA 1.426 57.709 56.400 -0.196 0.000 0.806 121 E CB 0.016 29.613 29.700 -0.172 0.000 0.750 121 E HN 0.457 nan 8.360 nan 0.000 0.458 122 S N 1.030 116.572 115.700 -0.263 0.000 2.442 122 S HA -0.153 4.314 4.470 -0.004 0.000 0.236 122 S C 2.299 176.769 174.600 -0.217 0.000 1.007 122 S CA 1.185 59.257 58.200 -0.213 0.000 0.965 122 S CB -0.742 62.329 63.200 -0.215 0.000 0.773 122 S HN 0.260 nan 8.310 nan 0.000 0.504 123 V N -2.035 117.662 119.914 -0.361 0.000 2.548 123 V HA 0.173 4.291 4.120 -0.004 0.000 0.249 123 V C 1.776 177.487 176.094 -0.637 0.000 1.055 123 V CA 1.085 63.067 62.300 -0.530 0.000 1.065 123 V CB -1.290 30.068 31.823 -0.776 0.000 0.681 123 V HN 0.509 nan 8.190 nan 0.000 0.462 124 F N 1.658 121.471 119.950 -0.228 0.000 2.695 124 F HA 0.157 4.681 4.527 -0.004 0.000 0.303 124 F C 2.476 178.156 175.800 -0.200 0.000 1.091 124 F CA 0.427 58.254 58.000 -0.289 0.000 1.300 124 F CB -0.058 38.770 39.000 -0.287 0.000 1.071 124 F HN 0.216 nan 8.300 nan 0.000 0.578 125 T N -2.221 112.297 114.554 -0.060 0.000 2.969 125 T HA -0.271 4.077 4.350 -0.004 0.000 0.271 125 T C 0.803 175.272 174.700 -0.384 0.000 1.127 125 T CA 1.616 63.584 62.100 -0.219 0.000 1.102 125 T CB -0.596 68.091 68.868 -0.300 0.000 0.855 125 T HN 0.453 nan 8.240 nan 0.000 0.536 126 Y N -0.296 120.044 120.300 0.067 0.000 2.707 126 Y HA 0.411 4.959 4.550 -0.004 0.000 0.249 126 Y C 1.772 177.819 175.900 0.244 0.000 1.166 126 Y CA -0.829 57.358 58.100 0.146 0.000 1.184 126 Y CB 0.318 38.900 38.460 0.203 0.000 1.240 126 Y HN 0.277 nan 8.280 nan 0.000 0.547 127 E N 1.240 121.563 120.200 0.205 0.000 2.086 127 E HA -0.309 4.038 4.350 -0.004 0.000 0.205 127 E C 1.488 178.243 176.600 0.259 0.000 1.027 127 E CA 2.119 58.599 56.400 0.133 0.000 0.830 127 E CB 0.265 29.941 29.700 -0.040 0.000 0.751 127 E HN 0.141 nan 8.360 nan 0.000 0.456 128 K N 0.550 121.057 120.400 0.179 0.000 2.148 128 K HA -0.127 4.191 4.320 -0.004 0.000 0.204 128 K C 1.930 178.666 176.600 0.226 0.000 1.050 128 K CA 1.542 57.934 56.287 0.176 0.000 0.942 128 K CB -0.058 32.497 32.500 0.092 0.000 0.724 128 K HN 0.340 nan 8.250 nan 0.000 0.446 129 E N -1.054 119.288 120.200 0.237 0.000 2.274 129 E HA -0.160 4.188 4.350 -0.004 0.000 0.194 129 E C 1.803 178.549 176.600 0.244 0.000 0.996 129 E CA 0.709 57.225 56.400 0.194 0.000 0.840 129 E CB -0.443 29.340 29.700 0.138 0.000 0.772 129 E HN 0.382 nan 8.360 nan 0.000 0.491 130 W N 2.332 123.811 121.300 0.297 0.000 2.408 130 W HA -0.060 4.597 4.660 -0.005 0.000 0.311 130 W C 2.479 179.238 176.519 0.400 0.000 1.190 130 W CA 1.335 58.906 57.345 0.376 0.000 1.321 130 W CB -0.147 29.567 29.460 0.422 0.000 1.143 130 W HN 0.129 nan 8.180 nan 0.000 0.501 131 E N 0.135 120.683 120.200 0.580 0.000 2.171 131 E HA -0.263 4.085 4.350 -0.004 0.000 0.197 131 E C 2.011 178.835 176.600 0.373 0.000 0.997 131 E CA 1.500 58.157 56.400 0.429 0.000 0.810 131 E CB -0.174 29.712 29.700 0.311 0.000 0.738 131 E HN 0.230 nan 8.360 nan 0.000 0.467 132 A N -0.054 122.997 122.820 0.386 0.000 2.021 132 A HA -0.026 4.292 4.320 -0.004 0.000 0.216 132 A C 1.795 179.684 177.584 0.507 0.000 1.163 132 A CA 0.444 52.725 52.037 0.406 0.000 0.676 132 A CB -0.488 18.732 19.000 0.367 0.000 0.818 132 A HN 0.499 nan 8.150 nan 0.000 0.453 133 F N 0.801 120.965 119.950 0.357 0.000 2.234 133 F HA -0.048 4.476 4.527 -0.004 0.000 0.296 133 F C 2.230 178.107 175.800 0.128 0.000 1.089 133 F CA 1.882 59.986 58.000 0.173 0.000 1.343 133 F CB -0.271 38.728 39.000 -0.002 0.000 1.040 133 F HN 0.151 nan 8.300 nan 0.000 0.498 134 T N 0.593 115.218 114.554 0.118 0.000 2.684 134 T HA -0.211 4.137 4.350 -0.004 0.000 0.267 134 T C 1.682 176.436 174.700 0.090 0.000 1.036 134 T CA 2.088 64.255 62.100 0.112 0.000 1.148 134 T CB -0.297 68.780 68.868 0.349 0.000 0.863 134 T HN 0.426 nan 8.240 nan 0.000 0.436 135 E N 0.262 120.571 120.200 0.182 0.000 2.072 135 E HA -0.050 4.298 4.350 -0.004 0.000 0.190 135 E C 2.492 179.259 176.600 0.277 0.000 0.982 135 E CA 0.546 57.103 56.400 0.261 0.000 0.803 135 E CB -0.097 29.782 29.700 0.298 0.000 0.755 135 E HN 0.068 nan 8.360 nan 0.000 0.453 136 R N 1.640 122.238 120.500 0.164 0.000 2.127 136 R HA -0.124 4.214 4.340 -0.004 0.000 0.238 136 R C 2.069 178.433 176.300 0.107 0.000 1.134 136 R CA 1.168 57.334 56.100 0.110 0.000 0.975 136 R CB -0.464 29.782 30.300 -0.089 0.000 0.865 136 R HN 0.339 nan 8.270 nan 0.000 0.447 137 I N -3.284 117.239 120.570 -0.078 0.000 3.812 137 I HA 0.380 4.547 4.170 -0.004 0.000 0.320 137 I C 0.444 176.619 176.117 0.096 0.000 1.276 137 I CA 0.400 61.670 61.300 -0.050 0.000 1.164 137 I CB -0.200 37.576 38.000 -0.373 0.000 1.009 137 I HN 0.082 nan 8.210 nan 0.000 0.431 138 A N 1.181 124.118 122.820 0.195 0.000 2.914 138 A HA -0.300 4.018 4.320 -0.004 0.000 0.280 138 A C 0.038 177.548 177.584 -0.123 0.000 1.447 138 A CA 0.655 52.704 52.037 0.021 0.000 0.759 138 A CB -2.966 15.867 19.000 -0.277 0.000 1.034 138 A HN 0.698 nan 8.150 nan 0.000 0.529 139 Y N 0.604 120.840 120.300 -0.107 0.000 2.802 139 Y HA 0.491 5.038 4.550 -0.004 0.000 0.330 139 Y C -0.056 175.820 175.900 -0.040 0.000 1.193 139 Y CA -1.815 56.217 58.100 -0.114 0.000 1.427 139 Y CB -0.130 38.275 38.460 -0.090 0.000 1.357 139 Y HN 0.383 nan 8.280 nan 0.000 0.501 140 W N 6.122 127.049 121.300 -0.623 0.000 2.655 140 W HA 0.410 5.068 4.660 -0.004 0.000 0.333 140 W C -0.404 175.415 176.519 -1.167 0.000 1.382 140 W CA -0.467 56.225 57.345 -1.088 0.000 1.398 140 W CB -0.001 28.663 29.460 -1.326 0.000 1.481 140 W HN 0.245 nan 8.180 nan 0.000 0.526 141 V N 4.385 123.879 119.914 -0.699 0.000 3.204 141 V HA 0.282 4.400 4.120 -0.004 0.000 0.298 141 V C -0.686 175.424 176.094 0.026 0.000 1.328 141 V CA -0.848 61.293 62.300 -0.264 0.000 1.035 141 V CB 2.206 33.812 31.823 -0.361 0.000 1.095 141 V HN 0.170 nan 8.190 nan 0.000 0.442 142 D N 2.293 122.806 120.400 0.188 0.000 2.339 142 D HA 0.475 5.112 4.640 -0.004 0.000 0.245 142 D C 0.578 176.938 176.300 0.101 0.000 1.115 142 D CA 0.235 54.341 54.000 0.176 0.000 0.917 142 D CB 1.769 42.656 40.800 0.145 0.000 1.192 142 D HN 0.510 nan 8.370 nan 0.000 0.428 143 L N 0.477 121.766 121.223 0.109 0.000 3.066 143 L HA 0.032 4.369 4.340 -0.004 0.000 0.272 143 L C 1.971 178.905 176.870 0.108 0.000 1.101 143 L CA -0.086 54.823 54.840 0.115 0.000 1.022 143 L CB 0.208 42.361 42.059 0.157 0.000 1.600 143 L HN 0.425 nan 8.230 nan 0.000 0.559 144 E N 0.913 121.167 120.200 0.090 0.000 2.265 144 E HA -0.224 4.123 4.350 -0.004 0.000 0.196 144 E C 0.337 176.976 176.600 0.065 0.000 0.996 144 E CA 1.525 57.965 56.400 0.068 0.000 0.832 144 E CB -0.177 29.558 29.700 0.058 0.000 0.756 144 E HN 0.538 nan 8.360 nan 0.000 0.491 145 D N 0.718 121.164 120.400 0.077 0.000 2.696 145 D HA 0.232 4.870 4.640 -0.004 0.000 0.269 145 D C -0.163 176.197 176.300 0.100 0.000 1.319 145 D CA -0.459 53.591 54.000 0.083 0.000 0.826 145 D CB 0.188 41.036 40.800 0.080 0.000 1.086 145 D HN 0.210 nan 8.370 nan 0.000 0.481 146 A N 1.057 123.929 122.820 0.087 0.000 2.511 146 A HA 0.354 4.671 4.320 -0.004 0.000 0.242 146 A C -0.040 177.586 177.584 0.069 0.000 1.069 146 A CA -0.459 51.595 52.037 0.029 0.000 0.763 146 A CB -0.243 18.769 19.000 0.020 0.000 1.001 146 A HN 0.435 nan 8.150 nan 0.000 0.498 147 Y N 0.279 120.610 120.300 0.050 0.000 2.300 147 Y HA 0.613 5.160 4.550 -0.004 0.000 0.328 147 Y C 0.151 176.107 175.900 0.094 0.000 1.270 147 Y CA -0.898 57.255 58.100 0.088 0.000 1.352 147 Y CB 0.843 39.375 38.460 0.120 0.000 1.286 147 Y HN 0.824 nan 8.280 nan 0.000 0.536 148 A N 1.733 124.651 122.820 0.164 0.000 2.381 148 A HA 0.410 4.728 4.320 -0.004 0.000 0.299 148 A C 0.671 178.143 177.584 -0.187 0.000 1.049 148 A CA -0.303 51.763 52.037 0.049 0.000 0.715 148 A CB 0.658 19.785 19.000 0.212 0.000 1.222 148 A HN 1.061 nan 8.150 nan 0.000 0.428 149 T N 0.195 114.455 114.554 -0.490 0.000 3.025 149 T HA -0.112 4.235 4.350 -0.004 0.000 0.270 149 T C 1.259 175.607 174.700 -0.587 0.000 1.126 149 T CA 1.844 63.413 62.100 -0.885 0.000 1.105 149 T CB -0.857 67.561 68.868 -0.750 0.000 0.884 149 T HN 1.085 nan 8.240 nan 0.000 0.522 150 L N -1.157 119.820 121.223 -0.412 0.000 2.558 150 L HA 0.476 4.813 4.340 -0.004 0.000 0.225 150 L C 0.534 177.481 176.870 0.128 0.000 1.128 150 L CA -0.170 54.571 54.840 -0.165 0.000 0.868 150 L CB -0.828 41.222 42.059 -0.014 0.000 1.006 150 L HN 0.073 nan 8.230 nan 0.000 0.454 151 E N 1.657 121.906 120.200 0.082 0.000 2.384 151 E HA 0.051 4.398 4.350 -0.004 0.000 0.266 151 E C -1.535 175.150 176.600 0.141 0.000 1.012 151 E CA -1.264 55.215 56.400 0.130 0.000 0.901 151 E CB 0.574 30.359 29.700 0.142 0.000 0.967 151 E HN 0.099 nan 8.360 nan 0.000 0.435 152 P HA -0.208 nan 4.420 nan 0.000 0.218 152 P C 1.170 178.580 177.300 0.184 0.000 1.146 152 P CA 1.433 64.616 63.100 0.138 0.000 0.813 152 P CB 0.158 31.893 31.700 0.059 0.000 0.778 153 T N -4.946 109.638 114.554 0.049 0.000 2.976 153 T HA -0.121 4.226 4.350 -0.004 0.000 0.257 153 T C 1.831 176.607 174.700 0.126 0.000 1.051 153 T CA 0.467 62.495 62.100 -0.120 0.000 1.141 153 T CB -1.442 67.124 68.868 -0.504 0.000 0.881 153 T HN 0.029 nan 8.240 nan 0.000 0.461 154 Y N 1.682 122.007 120.300 0.042 0.000 2.256 154 Y HA 0.056 4.603 4.550 -0.004 0.000 0.288 154 Y C 2.027 177.963 175.900 0.060 0.000 1.155 154 Y CA 1.115 59.249 58.100 0.057 0.000 1.203 154 Y CB -0.305 38.188 38.460 0.056 0.000 0.980 154 Y HN 0.172 nan 8.280 nan 0.000 0.530 155 I N -0.354 120.359 120.570 0.238 0.000 2.500 155 I HA -0.194 3.974 4.170 -0.004 0.000 0.252 155 I C 2.324 178.338 176.117 -0.171 0.000 1.142 155 I CA 1.184 62.538 61.300 0.090 0.000 1.451 155 I CB -0.262 37.726 38.000 -0.021 0.000 1.093 155 I HN 0.270 nan 8.210 nan 0.000 0.430 156 E N 0.519 120.565 120.200 -0.256 0.000 2.208 156 E HA -0.150 4.198 4.350 -0.004 0.000 0.193 156 E C 2.200 178.872 176.600 0.120 0.000 0.988 156 E CA 0.814 56.913 56.400 -0.501 0.000 0.828 156 E CB 0.243 29.407 29.700 -0.892 0.000 0.763 156 E HN 0.295 nan 8.360 nan 0.000 0.478 157 S N 0.540 116.394 115.700 0.256 0.000 2.355 157 S HA -0.086 4.382 4.470 -0.004 0.000 0.222 157 S C 1.921 176.882 174.600 0.602 0.000 1.031 157 S CA 0.714 59.192 58.200 0.463 0.000 0.993 157 S CB -0.131 63.215 63.200 0.244 0.000 0.859 157 S HN 0.286 nan 8.310 nan 0.000 0.453 158 I N -0.015 120.794 120.570 0.398 0.000 2.194 158 I HA -0.256 3.911 4.170 -0.004 0.000 0.246 158 I C 2.059 178.479 176.117 0.506 0.000 1.093 158 I CA 1.306 62.895 61.300 0.482 0.000 1.355 158 I CB -0.345 37.906 38.000 0.418 0.000 1.046 158 I HN 0.408 nan 8.210 nan 0.000 0.413 159 W N 0.248 121.657 121.300 0.182 0.000 2.350 159 W HA -0.230 4.427 4.660 -0.004 0.000 0.289 159 W C 2.378 178.977 176.519 0.132 0.000 1.215 159 W CA 0.770 58.180 57.345 0.107 0.000 1.236 159 W CB -1.210 28.298 29.460 0.081 0.000 1.130 159 W HN 0.363 nan 8.180 nan 0.000 0.541 160 W N 1.816 123.328 121.300 0.355 0.000 2.355 160 W HA -0.243 4.414 4.660 -0.004 0.000 0.309 160 W C 2.643 179.249 176.519 0.145 0.000 1.206 160 W CA 3.204 60.674 57.345 0.208 0.000 1.284 160 W CB -0.939 28.596 29.460 0.124 0.000 1.145 160 W HN -0.115 nan 8.180 nan 0.000 0.502 161 S N 0.459 115.993 115.700 -0.277 0.000 2.399 161 S HA -0.240 4.228 4.470 -0.004 0.000 0.231 161 S C 1.931 176.325 174.600 -0.344 0.000 1.022 161 S CA 1.686 59.515 58.200 -0.618 0.000 0.983 161 S CB -1.014 62.208 63.200 0.036 0.000 0.803 161 S HN 0.428 nan 8.310 nan 0.000 0.480 162 L N 0.854 121.993 121.223 -0.141 0.000 2.179 162 L HA 0.123 4.461 4.340 -0.004 0.000 0.208 162 L C 2.845 179.637 176.870 -0.129 0.000 1.096 162 L CA 1.221 55.969 54.840 -0.153 0.000 0.779 162 L CB -0.399 41.528 42.059 -0.219 0.000 0.922 162 L HN 0.324 nan 8.230 nan 0.000 0.443 163 K N 0.503 120.814 120.400 -0.148 0.000 2.155 163 K HA -0.179 4.138 4.320 -0.004 0.000 0.203 163 K C 1.811 178.369 176.600 -0.071 0.000 1.052 163 K CA 1.114 57.364 56.287 -0.063 0.000 0.948 163 K CB 0.095 32.570 32.500 -0.041 0.000 0.728 163 K HN 0.169 nan 8.250 nan 0.000 0.448 164 N N 0.887 119.410 118.700 -0.296 0.000 2.004 164 N HA -0.186 4.552 4.740 -0.004 0.000 0.196 164 N C 1.742 177.167 175.510 -0.143 0.000 1.064 164 N CA 1.900 54.752 53.050 -0.330 0.000 0.855 164 N CB -0.295 37.785 38.487 -0.679 0.000 1.056 164 N HN 0.083 nan 8.380 nan 0.000 0.423 165 L N -0.754 120.388 121.223 -0.135 0.000 2.051 165 L HA -0.228 4.110 4.340 -0.004 0.000 0.214 165 L C 2.246 179.148 176.870 0.052 0.000 1.076 165 L CA 1.453 56.278 54.840 -0.024 0.000 0.758 165 L CB -0.653 41.405 42.059 -0.003 0.000 0.890 165 L HN 0.273 nan 8.230 nan 0.000 0.433 166 F N 1.045 120.965 119.950 -0.049 0.000 2.134 166 F HA -0.237 4.288 4.527 -0.004 0.000 0.299 166 F C 2.236 178.049 175.800 0.021 0.000 1.097 166 F CA 1.761 59.767 58.000 0.009 0.000 1.264 166 F CB -0.174 38.807 39.000 -0.030 0.000 1.001 166 F HN 0.096 nan 8.300 nan 0.000 0.479 167 D N -0.193 120.265 120.400 0.097 0.000 2.312 167 D HA -0.067 4.570 4.640 -0.004 0.000 0.211 167 D C 2.091 178.362 176.300 -0.049 0.000 0.964 167 D CA 0.803 54.816 54.000 0.022 0.000 0.877 167 D CB -0.204 40.643 40.800 0.079 0.000 0.924 167 D HN 0.362 nan 8.370 nan 0.000 0.515 168 R N -0.584 119.889 120.500 -0.044 0.000 2.300 168 R HA 0.185 4.522 4.340 -0.004 0.000 0.199 168 R C 1.120 177.394 176.300 -0.044 0.000 0.920 168 R CA 0.505 56.588 56.100 -0.028 0.000 1.046 168 R CB 0.549 30.851 30.300 0.003 0.000 0.984 168 R HN 0.069 nan 8.270 nan 0.000 0.493 169 G N 1.047 109.787 108.800 -0.100 0.000 2.160 169 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.244 169 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.244 169 G C 0.350 175.255 174.900 0.008 0.000 1.022 169 G CA -0.079 44.960 45.100 -0.103 0.000 0.741 169 G HN 0.285 nan 8.290 nan 0.000 0.508 170 L N -1.237 120.030 121.223 0.073 0.000 2.693 170 L HA 0.507 4.845 4.340 -0.004 0.000 0.235 170 L C 0.601 177.624 176.870 0.256 0.000 1.127 170 L CA -0.163 54.783 54.840 0.178 0.000 0.914 170 L CB 0.589 42.764 42.059 0.193 0.000 1.193 170 L HN 0.230 nan 8.230 nan 0.000 0.502 171 L N 0.966 122.336 121.223 0.246 0.000 2.377 171 L HA 0.421 4.759 4.340 -0.004 0.000 0.270 171 L C -0.752 176.400 176.870 0.471 0.000 0.991 171 L CA -0.543 54.493 54.840 0.326 0.000 0.851 171 L CB 0.796 43.022 42.059 0.277 0.000 1.218 171 L HN 0.091 nan 8.230 nan 0.000 0.420 172 Y N 2.434 122.920 120.300 0.309 0.000 2.602 172 Y HA 0.746 5.293 4.550 -0.005 0.000 0.342 172 Y C -0.764 175.088 175.900 -0.079 0.000 1.029 172 Y CA -1.335 56.858 58.100 0.155 0.000 1.080 172 Y CB 1.189 39.673 38.460 0.040 0.000 1.284 172 Y HN 0.606 nan 8.280 nan 0.000 0.485 173 R N 2.289 122.479 120.500 -0.517 0.000 2.393 173 R HA 0.480 4.818 4.340 -0.004 0.000 0.310 173 R C -1.820 174.299 176.300 -0.302 0.000 0.968 173 R CA -0.299 55.202 56.100 -0.997 0.000 0.867 173 R CB 1.195 30.548 30.300 -1.579 0.000 1.124 173 R HN 0.984 nan 8.270 nan 0.000 0.450 174 D N 0.004 120.289 120.400 -0.192 0.000 2.643 174 D HA 0.180 4.817 4.640 -0.004 0.000 0.283 174 D C -1.801 174.544 176.300 0.075 0.000 1.242 174 D CA -0.361 53.670 54.000 0.051 0.000 0.863 174 D CB 1.390 42.323 40.800 0.222 0.000 1.382 174 D HN 0.573 nan 8.370 nan 0.000 0.444 175 H N 1.724 120.798 119.070 0.007 0.000 2.791 175 H HA 0.386 4.940 4.556 -0.004 0.000 0.272 175 H C -0.824 174.500 175.328 -0.007 0.000 1.188 175 H CA -0.206 55.835 56.048 -0.012 0.000 1.436 175 H CB 0.343 30.075 29.762 -0.050 0.000 1.467 175 H HN 0.280 nan 8.280 nan 0.000 0.500 176 K N 1.923 122.288 120.400 -0.059 0.000 2.261 176 K HA 0.469 4.787 4.320 -0.004 0.000 0.242 176 K C -0.760 175.804 176.600 -0.059 0.000 1.083 176 K CA -1.308 54.965 56.287 -0.023 0.000 0.880 176 K CB 1.836 34.339 32.500 0.005 0.000 1.353 176 K HN -0.005 nan 8.250 nan 0.000 0.486 177 V N 2.490 122.398 119.914 -0.011 0.000 2.348 177 V HA 0.235 4.352 4.120 -0.004 0.000 0.270 177 V C -0.160 176.036 176.094 0.169 0.000 1.037 177 V CA -0.491 61.833 62.300 0.040 0.000 0.872 177 V CB 0.751 32.586 31.823 0.020 0.000 1.002 177 V HN 0.568 nan 8.190 nan 0.000 0.464 178 V N 3.990 124.048 119.914 0.240 0.000 3.113 178 V HA 0.764 4.882 4.120 -0.004 0.000 0.316 178 V C -2.883 173.406 176.094 0.325 0.000 1.125 178 V CA -3.147 59.339 62.300 0.310 0.000 1.026 178 V CB 2.083 34.073 31.823 0.279 0.000 1.080 178 V HN 0.573 nan 8.190 nan 0.000 0.444 179 P HA 0.356 nan 4.420 nan 0.000 0.276 179 P C -1.703 175.654 177.300 0.095 0.000 1.230 179 P CA 0.359 63.416 63.100 -0.073 0.000 0.776 179 P CB 0.076 31.709 31.700 -0.113 0.000 0.888 180 Y N 2.432 122.672 120.300 -0.099 0.000 2.492 180 Y HA 0.482 5.030 4.550 -0.005 0.000 0.346 180 Y C -1.034 174.826 175.900 -0.067 0.000 0.997 180 Y CA -0.928 57.155 58.100 -0.028 0.000 1.025 180 Y CB 1.420 39.899 38.460 0.032 0.000 1.263 180 Y HN 0.433 nan 8.280 nan 0.000 0.454 181 C N 9.461 128.599 119.300 -0.269 0.000 2.255 181 C HA 0.463 4.920 4.460 -0.004 0.000 0.326 181 C C -1.339 173.544 174.990 -0.177 0.000 1.258 181 C CA -2.278 56.657 59.018 -0.138 0.000 1.676 181 C CB 0.557 28.225 27.740 -0.121 0.000 2.314 181 C HN 0.806 nan 8.230 nan 0.000 0.509 182 P HA -0.126 nan 4.420 nan 0.000 0.219 182 P C 1.330 178.702 177.300 0.120 0.000 1.150 182 P CA 1.278 64.515 63.100 0.229 0.000 0.814 182 P CB 0.096 31.990 31.700 0.324 0.000 0.787 183 R N -0.210 120.330 120.500 0.067 0.000 2.075 183 R HA 0.008 4.346 4.340 -0.004 0.000 0.226 183 R C 2.012 178.294 176.300 -0.030 0.000 1.114 183 R CA 1.765 57.871 56.100 0.009 0.000 0.972 183 R CB -1.410 28.885 30.300 -0.008 0.000 0.869 183 R HN 0.015 nan 8.270 nan 0.000 0.437 184 C N 0.396 119.657 119.300 -0.066 0.000 2.464 184 C HA 0.326 4.783 4.460 -0.004 0.000 0.278 184 C C 1.475 176.393 174.990 -0.120 0.000 1.375 184 C CA 0.660 59.629 59.018 -0.083 0.000 1.761 184 C CB -0.749 26.936 27.740 -0.092 0.000 1.944 184 C HN 0.875 nan 8.230 nan 0.000 0.509 185 G N 0.973 109.645 108.800 -0.213 0.000 2.248 185 G HA2 -0.134 3.824 3.960 -0.004 0.000 0.263 185 G HA3 -0.134 3.824 3.960 -0.004 0.000 0.263 185 G C -0.003 174.659 174.900 -0.397 0.000 1.082 185 G CA 0.589 45.550 45.100 -0.232 0.000 0.863 185 G HN 0.651 nan 8.290 nan 0.000 0.495 186 T N -0.916 113.200 114.554 -0.729 0.000 2.889 186 T HA 0.673 5.020 4.350 -0.004 0.000 0.315 186 T C -2.905 171.538 174.700 -0.428 0.000 1.291 186 T CA -0.840 60.997 62.100 -0.438 0.000 1.028 186 T CB 2.293 71.064 68.868 -0.161 0.000 1.235 186 T HN -0.016 nan 8.240 nan 0.000 0.491 187 P HA 0.511 nan 4.420 nan 0.000 0.274 187 P C -0.591 176.727 177.300 0.029 0.000 1.260 187 P CA -0.396 62.743 63.100 0.066 0.000 0.793 187 P CB 0.545 32.300 31.700 0.092 0.000 1.048 188 L N -0.985 120.279 121.223 0.068 0.000 2.205 188 L HA 0.605 4.943 4.340 -0.004 0.000 0.242 188 L C 0.050 176.958 176.870 0.064 0.000 1.115 188 L CA -0.791 54.094 54.840 0.075 0.000 0.987 188 L CB 1.631 43.727 42.059 0.063 0.000 1.568 188 L HN 0.382 nan 8.230 nan 0.000 0.450 189 S N -2.063 113.614 115.700 -0.039 0.000 2.634 189 S HA 0.395 4.863 4.470 -0.004 0.000 0.296 189 S C 0.394 174.865 174.600 -0.215 0.000 1.104 189 S CA -0.325 57.790 58.200 -0.142 0.000 0.920 189 S CB 1.760 64.689 63.200 -0.451 0.000 1.111 189 S HN 0.513 nan 8.310 nan 0.000 0.493 190 S N 1.329 116.980 115.700 -0.082 0.000 2.359 190 S HA -0.250 4.218 4.470 -0.004 0.000 0.222 190 S C 1.682 176.322 174.600 0.065 0.000 1.038 190 S CA 2.313 60.563 58.200 0.083 0.000 1.051 190 S CB -1.378 61.959 63.200 0.229 0.000 0.944 190 S HN 1.018 nan 8.310 nan 0.000 0.433 191 H N 1.447 120.569 119.070 0.087 0.000 2.353 191 H HA -0.044 4.510 4.556 -0.005 0.000 0.298 191 H C 1.960 177.043 175.328 -0.409 0.000 1.103 191 H CA 1.532 57.404 56.048 -0.293 0.000 1.293 191 H CB -0.614 28.738 29.762 -0.683 0.000 1.372 191 H HN 0.460 nan 8.280 nan 0.000 0.501 192 E N 0.757 120.614 120.200 -0.571 0.000 2.051 192 E HA -0.130 4.217 4.350 -0.004 0.000 0.192 192 E C 2.481 178.863 176.600 -0.363 0.000 0.991 192 E CA 1.282 57.282 56.400 -0.667 0.000 0.799 192 E CB -0.048 29.266 29.700 -0.642 0.000 0.748 192 E HN 0.298 nan 8.360 nan 0.000 0.449 193 V N 1.484 121.261 119.914 -0.228 0.000 2.324 193 V HA -0.319 3.798 4.120 -0.004 0.000 0.250 193 V C 2.314 178.259 176.094 -0.248 0.000 1.060 193 V CA 1.927 64.101 62.300 -0.210 0.000 1.042 193 V CB -0.760 30.977 31.823 -0.143 0.000 0.650 193 V HN 0.350 nan 8.190 nan 0.000 0.450 194 A N -0.731 122.044 122.820 -0.076 0.000 2.019 194 A HA -0.106 4.212 4.320 -0.004 0.000 0.219 194 A C 2.006 179.611 177.584 0.035 0.000 1.164 194 A CA 1.335 53.421 52.037 0.081 0.000 0.644 194 A CB -0.365 18.716 19.000 0.135 0.000 0.805 194 A HN 0.414 nan 8.150 nan 0.000 0.449 195 L N -1.167 120.011 121.223 -0.074 0.000 2.418 195 L HA 0.117 4.455 4.340 -0.004 0.000 0.218 195 L C 1.737 178.654 176.870 0.078 0.000 1.125 195 L CA 1.311 56.145 54.840 -0.009 0.000 0.835 195 L CB -0.819 41.211 42.059 -0.048 0.000 0.953 195 L HN 0.394 nan 8.230 nan 0.000 0.454 196 G N -2.084 106.728 108.800 0.020 0.000 4.644 196 G HA2 0.117 4.074 3.960 -0.004 0.000 0.307 196 G HA3 0.117 4.074 3.960 -0.004 0.000 0.307 196 G C -0.768 174.126 174.900 -0.009 0.000 1.331 196 G CA -0.207 44.926 45.100 0.055 0.000 1.059 196 G HN -0.011 nan 8.290 nan 0.000 0.590 197 Y N 0.803 121.148 120.300 0.076 0.000 2.316 197 Y HA 0.538 5.087 4.550 -0.001 0.000 0.331 197 Y C 0.615 176.535 175.900 0.032 0.000 1.083 197 Y CA -0.308 57.836 58.100 0.073 0.000 1.206 197 Y CB 1.598 40.085 38.460 0.046 0.000 1.195 197 Y HN 0.140 nan 8.280 nan 0.000 0.497 198 K N 2.010 122.538 120.400 0.213 0.000 2.508 198 K HA 0.260 4.578 4.320 -0.004 0.000 0.260 198 K C -1.303 175.337 176.600 0.067 0.000 0.949 198 K CA -0.852 55.419 56.287 -0.026 0.000 0.834 198 K CB 1.664 33.890 32.500 -0.457 0.000 1.365 198 K HN 0.698 nan 8.250 nan 0.000 0.437 199 E N 3.840 124.053 120.200 0.022 0.000 2.257 199 E HA 0.167 4.514 4.350 -0.004 0.000 0.278 199 E C -1.011 175.637 176.600 0.081 0.000 1.049 199 E CA -0.205 56.227 56.400 0.054 0.000 0.876 199 E CB 0.625 30.347 29.700 0.037 0.000 1.035 199 E HN 0.449 nan 8.360 nan 0.000 0.419 200 I N 3.239 123.883 120.570 0.123 0.000 3.002 200 I HA 0.252 4.420 4.170 -0.004 0.000 0.310 200 I C -1.161 175.044 176.117 0.147 0.000 1.087 200 I CA -0.907 60.489 61.300 0.161 0.000 1.017 200 I CB 2.030 40.178 38.000 0.246 0.000 1.226 200 I HN 0.565 nan 8.210 nan 0.000 0.443 201 Q N 4.619 124.498 119.800 0.132 0.000 2.333 201 Q HA 0.355 4.692 4.340 -0.004 0.000 0.265 201 Q C -1.810 174.263 176.000 0.122 0.000 0.989 201 Q CA -0.636 55.245 55.803 0.131 0.000 0.842 201 Q CB 1.386 30.184 28.738 0.100 0.000 1.262 201 Q HN 0.499 nan 8.270 nan 0.000 0.451 202 D N 4.241 124.731 120.400 0.150 0.000 2.414 202 D HA 0.470 5.107 4.640 -0.004 0.000 0.241 202 D C -2.583 173.779 176.300 0.104 0.000 1.008 202 D CA -1.565 52.504 54.000 0.115 0.000 1.001 202 D CB 1.887 42.763 40.800 0.127 0.000 1.277 202 D HN 0.432 nan 8.370 nan 0.000 0.538 203 P HA 0.124 nan 4.420 nan 0.000 0.293 203 P C -0.679 176.600 177.300 -0.035 0.000 1.313 203 P CA -0.322 62.796 63.100 0.030 0.000 0.787 203 P CB 0.928 32.636 31.700 0.014 0.000 0.910 204 S N 3.320 119.021 115.700 0.001 0.000 2.410 204 S HA 0.482 4.950 4.470 -0.004 0.000 0.304 204 S C -0.106 174.477 174.600 -0.029 0.000 1.095 204 S CA -0.503 57.654 58.200 -0.071 0.000 1.089 204 S CB -0.512 62.743 63.200 0.092 0.000 0.968 204 S HN 0.372 nan 8.310 nan 0.000 0.480 205 V N 3.673 123.484 119.914 -0.172 0.000 2.962 205 V HA 0.718 4.836 4.120 -0.004 0.000 0.313 205 V C -1.974 174.007 176.094 -0.187 0.000 1.099 205 V CA -1.015 61.247 62.300 -0.064 0.000 0.971 205 V CB 1.427 33.240 31.823 -0.017 0.000 1.028 205 V HN 0.713 nan 8.190 nan 0.000 0.430 206 Y N 2.235 122.625 120.300 0.150 0.000 2.334 206 Y HA 0.747 5.293 4.550 -0.006 0.000 0.336 206 Y C 0.023 176.003 175.900 0.134 0.000 0.960 206 Y CA -0.820 57.364 58.100 0.140 0.000 1.164 206 Y CB 2.061 40.608 38.460 0.144 0.000 1.155 206 Y HN 0.564 nan 8.280 nan 0.000 0.478 207 V N 5.025 125.042 119.914 0.173 0.000 2.378 207 V HA 0.420 4.538 4.120 -0.004 0.000 0.288 207 V C -0.226 175.992 176.094 0.207 0.000 1.016 207 V CA -1.230 61.178 62.300 0.181 0.000 0.840 207 V CB 1.191 33.108 31.823 0.157 0.000 0.994 207 V HN 0.747 nan 8.190 nan 0.000 0.431 208 R N 3.316 123.953 120.500 0.228 0.000 2.442 208 R HA 0.427 4.764 4.340 -0.004 0.000 0.291 208 R C -1.308 175.197 176.300 0.343 0.000 1.069 208 R CA -0.195 56.034 56.100 0.215 0.000 1.022 208 R CB 0.402 30.805 30.300 0.173 0.000 0.976 208 R HN 0.372 nan 8.270 nan 0.000 0.443 209 F N 3.929 123.839 119.950 -0.067 0.000 2.311 209 F HA 0.391 4.916 4.527 -0.003 0.000 0.371 209 F C -2.039 173.738 175.800 -0.038 0.000 1.083 209 F CA -3.096 54.844 58.000 -0.101 0.000 1.113 209 F CB 1.516 40.348 39.000 -0.281 0.000 1.349 209 F HN 0.450 nan 8.300 nan 0.000 0.470 210 P HA -0.009 nan 4.420 nan 0.000 0.264 210 P C -0.386 176.981 177.300 0.112 0.000 1.193 210 P CA 0.044 63.193 63.100 0.081 0.000 0.763 210 P CB 0.477 32.193 31.700 0.027 0.000 0.810 211 L N 4.322 125.609 121.223 0.106 0.000 2.417 211 L HA 0.154 4.492 4.340 -0.004 0.000 0.268 211 L C 1.568 178.485 176.870 0.078 0.000 1.158 211 L CA 0.436 55.344 54.840 0.115 0.000 0.819 211 L CB 0.323 42.439 42.059 0.094 0.000 1.112 211 L HN 0.483 nan 8.230 nan 0.000 0.458 212 K N 0.951 121.395 120.400 0.072 0.000 2.262 212 K HA 0.048 4.365 4.320 -0.004 0.000 0.200 212 K C -0.212 176.409 176.600 0.036 0.000 1.049 212 K CA 0.620 56.930 56.287 0.038 0.000 0.979 212 K CB 0.546 33.058 32.500 0.022 0.000 0.773 212 K HN 0.479 nan 8.250 nan 0.000 0.474 213 E N 0.917 121.144 120.200 0.046 0.000 3.651 213 E HA 0.100 4.447 4.350 -0.004 0.000 0.220 213 E C -2.290 174.341 176.600 0.051 0.000 1.222 213 E CA -1.406 55.019 56.400 0.040 0.000 1.114 213 E CB 1.121 30.841 29.700 0.034 0.000 1.278 213 E HN 0.095 nan 8.360 nan 0.000 0.412 214 P HA -0.111 nan 4.420 nan 0.000 0.230 214 P C 0.875 178.216 177.300 0.068 0.000 1.158 214 P CA 0.703 63.844 63.100 0.068 0.000 0.769 214 P CB 0.511 32.250 31.700 0.065 0.000 0.807 215 K N 0.778 121.210 120.400 0.054 0.000 1.985 215 K HA -0.128 4.190 4.320 -0.004 0.000 0.210 215 K C 2.055 178.689 176.600 0.057 0.000 1.047 215 K CA 1.370 57.686 56.287 0.049 0.000 0.932 215 K CB -0.396 32.125 32.500 0.036 0.000 0.716 215 K HN -0.068 nan 8.250 nan 0.000 0.439 216 K N 0.782 121.214 120.400 0.053 0.000 2.304 216 K HA -0.112 4.205 4.320 -0.004 0.000 0.204 216 K C 1.220 177.871 176.600 0.085 0.000 1.044 216 K CA 0.974 57.294 56.287 0.056 0.000 0.932 216 K CB -0.056 32.470 32.500 0.043 0.000 0.735 216 K HN 0.085 nan 8.250 nan 0.000 0.468 217 L N -0.613 120.677 121.223 0.112 0.000 2.741 217 L HA 0.271 4.608 4.340 -0.004 0.000 0.237 217 L C 0.774 177.742 176.870 0.165 0.000 1.178 217 L CA 0.660 55.617 54.840 0.196 0.000 0.973 217 L CB -0.841 41.374 42.059 0.260 0.000 1.255 217 L HN 0.405 nan 8.230 nan 0.000 0.498 218 G N 1.074 109.933 108.800 0.098 0.000 2.249 218 G HA2 -0.284 3.673 3.960 -0.004 0.000 0.273 218 G HA3 -0.284 3.673 3.960 -0.004 0.000 0.273 218 G C 0.115 175.049 174.900 0.057 0.000 1.036 218 G CA 0.405 45.542 45.100 0.062 0.000 0.824 218 G HN 0.355 nan 8.290 nan 0.000 0.504 219 L N -1.761 119.506 121.223 0.074 0.000 2.354 219 L HA 0.616 4.953 4.340 -0.004 0.000 0.264 219 L C 1.183 178.087 176.870 0.057 0.000 1.008 219 L CA -1.026 53.855 54.840 0.068 0.000 0.819 219 L CB 1.722 43.841 42.059 0.099 0.000 1.339 219 L HN 0.094 nan 8.230 nan 0.000 0.420 220 E N 1.251 121.480 120.200 0.048 0.000 2.060 220 E HA -0.022 4.325 4.350 -0.004 0.000 0.189 220 E C -0.181 176.446 176.600 0.046 0.000 0.974 220 E CA 1.162 57.586 56.400 0.041 0.000 0.808 220 E CB 0.420 30.140 29.700 0.033 0.000 0.768 220 E HN 0.318 nan 8.360 nan 0.000 0.453 221 K N -0.216 120.216 120.400 0.053 0.000 2.687 221 K HA 0.644 4.962 4.320 -0.004 0.000 0.249 221 K C -1.812 174.830 176.600 0.071 0.000 0.994 221 K CA -0.119 56.203 56.287 0.057 0.000 0.913 221 K CB 1.313 33.843 32.500 0.049 0.000 1.202 221 K HN 0.080 nan 8.250 nan 0.000 0.460 222 A N 1.877 124.745 122.820 0.080 0.000 2.469 222 A HA 0.903 5.220 4.320 -0.004 0.000 0.299 222 A C -1.117 176.521 177.584 0.089 0.000 1.098 222 A CA -0.682 51.411 52.037 0.094 0.000 0.737 222 A CB 1.827 20.896 19.000 0.115 0.000 1.312 222 A HN 0.530 nan 8.150 nan 0.000 0.414 223 S N 0.020 115.774 115.700 0.089 0.000 2.540 223 S HA 0.559 5.026 4.470 -0.004 0.000 0.275 223 S C -0.819 173.816 174.600 0.059 0.000 1.123 223 S CA -0.509 57.743 58.200 0.087 0.000 0.907 223 S CB 1.197 64.456 63.200 0.099 0.000 1.081 223 S HN 0.597 nan 8.310 nan 0.000 0.476 224 L N 2.620 123.866 121.223 0.038 0.000 2.380 224 L HA 0.388 4.726 4.340 -0.004 0.000 0.273 224 L C -0.326 176.505 176.870 -0.064 0.000 1.138 224 L CA -0.266 54.542 54.840 -0.053 0.000 0.832 224 L CB 0.317 42.286 42.059 -0.149 0.000 1.124 224 L HN 0.416 nan 8.230 nan 0.000 0.454 225 L N 4.920 126.090 121.223 -0.089 0.000 2.265 225 L HA 0.455 4.793 4.340 -0.004 0.000 0.289 225 L C -0.460 176.349 176.870 -0.102 0.000 1.033 225 L CA -0.503 54.290 54.840 -0.078 0.000 0.814 225 L CB 1.105 43.089 42.059 -0.125 0.000 1.203 225 L HN 0.465 nan 8.230 nan 0.000 0.423 226 I N 4.544 125.029 120.570 -0.141 0.000 2.648 226 I HA 0.428 4.595 4.170 -0.004 0.000 0.304 226 I C -0.402 175.697 176.117 -0.031 0.000 1.009 226 I CA -0.558 60.630 61.300 -0.186 0.000 1.114 226 I CB 1.751 39.426 38.000 -0.541 0.000 1.293 226 I HN 0.652 nan 8.210 nan 0.000 0.449 227 W N 5.251 126.388 121.300 -0.272 0.000 2.864 227 W HA 0.738 5.396 4.660 -0.002 0.000 0.343 227 W C -1.577 174.772 176.519 -0.283 0.000 1.109 227 W CA -0.903 56.186 57.345 -0.427 0.000 1.192 227 W CB 1.880 30.980 29.460 -0.600 0.000 1.426 227 W HN 0.597 nan 8.180 nan 0.000 0.529 228 T N 1.054 115.001 114.554 -1.013 0.000 2.827 228 T HA 0.236 4.584 4.350 -0.004 0.000 0.328 228 T C 0.311 174.468 174.700 -0.905 0.000 1.598 228 T CA 0.340 61.849 62.100 -0.986 0.000 1.043 228 T CB 0.985 69.587 68.868 -0.444 0.000 1.447 228 T HN 0.595 nan 8.240 nan 0.000 0.491 229 T N -1.189 112.955 114.554 -0.683 0.000 2.985 229 T HA 0.231 4.579 4.350 -0.004 0.000 0.254 229 T C 0.829 175.416 174.700 -0.187 0.000 1.021 229 T CA 0.696 62.555 62.100 -0.402 0.000 0.957 229 T CB -0.155 68.553 68.868 -0.266 0.000 1.047 229 T HN 0.809 nan 8.240 nan 0.000 0.511 230 T N 0.141 114.559 114.554 -0.225 0.000 3.378 230 T HA 0.477 4.825 4.350 -0.004 0.000 0.359 230 T C -2.223 172.270 174.700 -0.345 0.000 1.815 230 T CA -1.644 60.323 62.100 -0.223 0.000 1.509 230 T CB 1.028 69.657 68.868 -0.398 0.000 1.049 230 T HN -0.120 nan 8.240 nan 0.000 0.705 231 P HA -0.128 nan 4.420 nan 0.000 0.217 231 P C 1.651 178.866 177.300 -0.142 0.000 1.148 231 P CA 1.037 64.061 63.100 -0.127 0.000 0.834 231 P CB -0.162 31.510 31.700 -0.046 0.000 0.783 232 W N -0.145 121.057 121.300 -0.164 0.000 2.611 232 W HA -0.020 4.637 4.660 -0.005 0.000 0.251 232 W C 0.870 177.231 176.519 -0.263 0.000 1.265 232 W CA 1.636 58.849 57.345 -0.219 0.000 1.295 232 W CB -2.206 27.170 29.460 -0.141 0.000 1.129 232 W HN 0.092 nan 8.180 nan 0.000 0.630 233 T N -1.331 112.707 114.554 -0.861 0.000 3.067 233 T HA 0.024 4.371 4.350 -0.004 0.000 0.257 233 T C 2.000 176.641 174.700 -0.098 0.000 1.105 233 T CA 0.420 62.044 62.100 -0.792 0.000 1.104 233 T CB -0.670 67.654 68.868 -0.906 0.000 0.925 233 T HN 0.149 nan 8.240 nan 0.000 0.498 234 L N 1.173 122.319 121.223 -0.129 0.000 2.051 234 L HA -0.051 4.286 4.340 -0.004 0.000 0.214 234 L C -0.479 176.502 176.870 0.186 0.000 1.076 234 L CA 1.644 56.426 54.840 -0.097 0.000 0.758 234 L CB -1.585 40.438 42.059 -0.061 0.000 0.890 234 L HN 0.253 nan 8.230 nan 0.000 0.433 235 P HA -0.125 nan 4.420 nan 0.000 0.223 235 P C 1.000 178.472 177.300 0.287 0.000 1.144 235 P CA 1.438 64.688 63.100 0.249 0.000 0.783 235 P CB -0.096 31.632 31.700 0.048 0.000 0.771 236 G N -1.370 107.614 108.800 0.306 0.000 3.523 236 G HA2 0.007 3.965 3.960 -0.004 0.000 0.270 236 G HA3 0.007 3.965 3.960 -0.004 0.000 0.270 236 G C 0.210 175.319 174.900 0.349 0.000 1.134 236 G CA -0.180 45.145 45.100 0.374 0.000 0.825 236 G HN 0.233 nan 8.290 nan 0.000 0.534 237 N N 0.074 119.037 118.700 0.438 0.000 2.482 237 N HA 0.267 5.004 4.740 -0.004 0.000 0.260 237 N C 1.105 176.786 175.510 0.286 0.000 1.236 237 N CA 0.557 53.912 53.050 0.509 0.000 0.938 237 N CB 1.398 40.259 38.487 0.623 0.000 1.128 237 N HN 0.097 nan 8.380 nan 0.000 0.448 238 V N -1.407 118.592 119.914 0.142 0.000 3.363 238 V HA 0.695 4.813 4.120 -0.004 0.000 0.270 238 V C 0.074 176.054 176.094 -0.190 0.000 1.667 238 V CA 0.370 62.556 62.300 -0.189 0.000 1.034 238 V CB -0.751 30.928 31.823 -0.241 0.000 0.857 238 V HN 0.729 nan 8.190 nan 0.000 0.410 239 A N -0.084 122.776 122.820 0.065 0.000 2.540 239 A HA 0.992 5.309 4.320 -0.004 0.000 0.291 239 A C -0.994 176.708 177.584 0.196 0.000 1.083 239 A CA -0.158 51.907 52.037 0.046 0.000 0.650 239 A CB 1.001 19.836 19.000 -0.275 0.000 1.292 239 A HN 1.839 nan 8.150 nan 0.000 0.435 240 A N -0.564 122.325 122.820 0.114 0.000 2.414 240 A HA 0.960 5.277 4.320 -0.004 0.000 0.306 240 A C -0.319 177.198 177.584 -0.112 0.000 1.054 240 A CA 0.064 52.059 52.037 -0.070 0.000 0.724 240 A CB 1.387 20.217 19.000 -0.282 0.000 1.267 240 A HN 2.532 nan 8.150 nan 0.000 0.418 241 A N 1.031 123.758 122.820 -0.155 0.000 2.355 241 A HA 0.817 5.135 4.320 -0.004 0.000 0.317 241 A C -0.282 177.176 177.584 -0.209 0.000 1.094 241 A CA -0.169 51.758 52.037 -0.182 0.000 0.764 241 A CB 1.198 20.074 19.000 -0.207 0.000 1.230 241 A HN 2.199 nan 8.150 nan 0.000 0.448 242 V N -0.228 119.564 119.914 -0.204 0.000 3.001 242 V HA 0.646 4.763 4.120 -0.004 0.000 0.314 242 V C -0.193 175.835 176.094 -0.109 0.000 1.099 242 V CA -0.874 61.335 62.300 -0.152 0.000 0.989 242 V CB 1.264 32.868 31.823 -0.365 0.000 1.040 242 V HN 1.007 nan 8.190 nan 0.000 0.434 243 H N 4.198 123.180 119.070 -0.147 0.000 2.683 243 H HA 0.385 4.939 4.556 -0.003 0.000 0.339 243 H C -1.594 173.633 175.328 -0.167 0.000 1.081 243 H CA -0.900 54.886 56.048 -0.437 0.000 1.432 243 H CB 1.943 30.846 29.762 -1.430 0.000 1.462 243 H HN 0.549 nan 8.280 nan 0.000 0.557 244 P HA -0.178 nan 4.420 nan 0.000 0.219 244 P C -0.553 176.809 177.300 0.102 0.000 1.146 244 P CA 1.350 64.400 63.100 -0.083 0.000 0.808 244 P CB 0.277 31.879 31.700 -0.163 0.000 0.779 245 E N -1.589 118.781 120.200 0.283 0.000 3.846 245 E HA 0.275 4.622 4.350 -0.004 0.000 0.216 245 E C -0.664 176.188 176.600 0.418 0.000 1.092 245 E CA -0.555 56.033 56.400 0.313 0.000 1.370 245 E CB -0.231 29.623 29.700 0.257 0.000 1.227 245 E HN 0.295 nan 8.360 nan 0.000 0.442 246 Y N 0.819 121.154 120.300 0.058 0.000 2.524 246 Y HA 0.337 4.885 4.550 -0.003 0.000 0.344 246 Y C 0.474 176.197 175.900 -0.295 0.000 1.012 246 Y CA -1.516 56.448 58.100 -0.227 0.000 1.068 246 Y CB 2.421 40.602 38.460 -0.465 0.000 1.249 246 Y HN 0.081 nan 8.280 nan 0.000 0.468 247 T N -0.470 113.978 114.554 -0.177 0.000 2.762 247 T HA 0.386 4.733 4.350 -0.004 0.000 0.303 247 T C -1.124 173.494 174.700 -0.138 0.000 0.977 247 T CA -0.474 61.582 62.100 -0.074 0.000 0.961 247 T CB -0.520 68.330 68.868 -0.031 0.000 0.944 247 T HN 0.308 nan 8.240 nan 0.000 0.481 248 Y N 2.287 122.747 120.300 0.266 0.000 2.327 248 Y HA 0.567 5.115 4.550 -0.003 0.000 0.336 248 Y C 0.840 176.969 175.900 0.380 0.000 1.035 248 Y CA -0.913 57.363 58.100 0.293 0.000 1.165 248 Y CB 1.029 39.635 38.460 0.244 0.000 1.181 248 Y HN 0.951 nan 8.280 nan 0.000 0.494 249 A N 2.155 125.235 122.820 0.432 0.000 2.252 249 A HA 0.826 5.143 4.320 -0.004 0.000 0.305 249 A C -0.241 177.572 177.584 0.382 0.000 1.097 249 A CA -0.425 51.782 52.037 0.284 0.000 0.849 249 A CB 0.423 19.542 19.000 0.199 0.000 1.142 249 A HN 0.846 nan 8.150 nan 0.000 0.499 250 A N 0.891 123.802 122.820 0.152 0.000 3.150 250 A HA 0.595 4.913 4.320 -0.004 0.000 0.328 250 A C -0.500 177.165 177.584 0.135 0.000 1.104 250 A CA -0.519 51.638 52.037 0.199 0.000 0.937 250 A CB -0.713 18.349 19.000 0.103 0.000 1.073 250 A HN 0.524 nan 8.150 nan 0.000 0.497 251 F N 0.511 120.478 119.950 0.029 0.000 2.626 251 F HA 0.107 4.631 4.527 -0.005 0.000 0.354 251 F C 1.248 177.060 175.800 0.020 0.000 1.168 251 F CA 1.204 59.210 58.000 0.009 0.000 1.368 251 F CB 0.641 39.636 39.000 -0.007 0.000 1.092 251 F HN 0.407 nan 8.300 nan 0.000 0.612 252 Q N 2.669 122.570 119.800 0.168 0.000 2.341 252 Q HA 0.546 4.884 4.340 -0.004 0.000 0.268 252 Q C -1.489 174.587 176.000 0.127 0.000 1.013 252 Q CA -0.609 55.261 55.803 0.112 0.000 0.798 252 Q CB 1.703 30.468 28.738 0.045 0.000 1.253 252 Q HN 0.599 nan 8.270 nan 0.000 0.457 253 V N 0.636 120.628 119.914 0.130 0.000 2.808 253 V HA 0.923 5.041 4.120 -0.004 0.000 0.308 253 V C 0.389 176.544 176.094 0.101 0.000 1.099 253 V CA 0.308 62.684 62.300 0.127 0.000 0.920 253 V CB 1.188 33.122 31.823 0.184 0.000 1.014 253 V HN 0.915 nan 8.190 nan 0.000 0.425 254 G N 4.032 112.876 108.800 0.073 0.000 2.611 254 G HA2 -0.297 3.660 3.960 -0.004 0.000 0.301 254 G HA3 -0.297 3.660 3.960 -0.004 0.000 0.301 254 G C 0.082 175.012 174.900 0.050 0.000 1.233 254 G CA 1.001 46.134 45.100 0.054 0.000 0.993 254 G HN 1.109 nan 8.290 nan 0.000 0.553 255 D N 2.049 122.479 120.400 0.049 0.000 2.368 255 D HA 0.394 5.032 4.640 -0.004 0.000 0.218 255 D C 0.863 177.194 176.300 0.052 0.000 1.112 255 D CA 0.983 55.008 54.000 0.043 0.000 0.834 255 D CB 0.327 41.147 40.800 0.034 0.000 0.953 255 D HN 0.815 nan 8.370 nan 0.000 0.505 256 E N -0.931 119.310 120.200 0.068 0.000 2.449 256 E HA 0.721 5.068 4.350 -0.004 0.000 0.278 256 E C -1.396 175.260 176.600 0.093 0.000 0.992 256 E CA -1.394 55.051 56.400 0.076 0.000 0.807 256 E CB 1.413 31.160 29.700 0.078 0.000 1.350 256 E HN -0.123 nan 8.360 nan 0.000 0.462 257 A N 1.644 124.522 122.820 0.097 0.000 2.303 257 A HA 0.618 4.936 4.320 -0.004 0.000 0.317 257 A C -0.673 176.985 177.584 0.124 0.000 1.149 257 A CA -0.814 51.293 52.037 0.117 0.000 0.822 257 A CB 0.475 19.544 19.000 0.114 0.000 1.131 257 A HN 0.530 nan 8.150 nan 0.000 0.493 258 L N 3.445 124.751 121.223 0.138 0.000 2.295 258 L HA 0.373 4.711 4.340 -0.004 0.000 0.281 258 L C -0.621 176.325 176.870 0.126 0.000 1.018 258 L CA -0.160 54.731 54.840 0.085 0.000 0.841 258 L CB 0.900 42.948 42.059 -0.017 0.000 1.218 258 L HN 0.591 nan 8.230 nan 0.000 0.424 259 I N 5.708 126.351 120.570 0.122 0.000 2.474 259 I HA 0.441 4.608 4.170 -0.004 0.000 0.287 259 I C -0.129 176.052 176.117 0.107 0.000 1.048 259 I CA -0.306 61.099 61.300 0.175 0.000 1.383 259 I CB 0.968 39.046 38.000 0.131 0.000 1.412 259 I HN 0.526 nan 8.210 nan 0.000 0.531 260 L N 2.714 124.069 121.223 0.220 0.000 2.940 260 L HA 0.372 4.709 4.340 -0.004 0.000 0.247 260 L C -0.596 176.499 176.870 0.375 0.000 0.970 260 L CA -1.043 53.928 54.840 0.219 0.000 1.003 260 L CB 1.320 43.383 42.059 0.007 0.000 1.552 260 L HN 0.404 nan 8.230 nan 0.000 0.432 261 E N 2.472 122.965 120.200 0.490 0.000 2.900 261 E HA -0.130 4.217 4.350 -0.004 0.000 0.259 261 E C -0.236 176.390 176.600 0.043 0.000 0.918 261 E CA 0.785 57.253 56.400 0.113 0.000 0.960 261 E CB 0.611 30.321 29.700 0.016 0.000 0.908 261 E HN 0.739 nan 8.360 nan 0.000 0.511 262 E N 2.181 122.397 120.200 0.027 0.000 2.425 262 E HA 0.082 4.430 4.350 -0.004 0.000 0.258 262 E C 1.109 177.708 176.600 -0.001 0.000 1.151 262 E CA 0.659 57.120 56.400 0.103 0.000 0.958 262 E CB 0.294 30.026 29.700 0.053 0.000 0.968 262 E HN 0.708 nan 8.360 nan 0.000 0.451 263 G N 2.581 111.410 108.800 0.049 0.000 3.163 263 G HA2 -0.366 3.592 3.960 -0.004 0.000 0.227 263 G HA3 -0.366 3.592 3.960 -0.004 0.000 0.227 263 G C 0.817 175.673 174.900 -0.074 0.000 1.300 263 G CA 0.563 45.649 45.100 -0.023 0.000 0.867 263 G HN 0.525 nan 8.290 nan 0.000 0.533 264 L N 2.379 123.536 121.223 -0.110 0.000 2.217 264 L HA 0.352 4.690 4.340 -0.004 0.000 0.211 264 L C 2.750 179.496 176.870 -0.206 0.000 1.107 264 L CA 2.939 57.690 54.840 -0.147 0.000 0.783 264 L CB -0.873 41.103 42.059 -0.138 0.000 0.919 264 L HN 0.500 nan 8.230 nan 0.000 0.442 265 G N -0.551 108.101 108.800 -0.247 0.000 2.437 265 G HA2 -0.179 3.778 3.960 -0.004 0.000 0.212 265 G HA3 -0.179 3.778 3.960 -0.004 0.000 0.212 265 G C 1.564 176.111 174.900 -0.588 0.000 1.174 265 G CA 0.394 45.140 45.100 -0.589 0.000 0.811 265 G HN 0.507 nan 8.290 nan 0.000 0.537 266 R N 0.436 120.867 120.500 -0.115 0.000 2.328 266 R HA 0.180 4.518 4.340 -0.004 0.000 0.207 266 R C 1.974 178.270 176.300 -0.006 0.000 1.056 266 R CA 1.474 57.659 56.100 0.142 0.000 1.016 266 R CB -0.159 30.299 30.300 0.263 0.000 0.872 266 R HN 0.368 nan 8.270 nan 0.000 0.471 267 K N 0.208 120.552 120.400 -0.093 0.000 2.287 267 K HA 0.056 4.374 4.320 -0.004 0.000 0.199 267 K C 1.903 178.427 176.600 -0.127 0.000 1.061 267 K CA -0.065 56.169 56.287 -0.089 0.000 0.976 267 K CB 0.128 32.573 32.500 -0.092 0.000 0.898 267 K HN 0.130 nan 8.250 nan 0.000 0.492 268 L N 1.912 123.011 121.223 -0.206 0.000 1.961 268 L HA -0.141 4.197 4.340 -0.004 0.000 0.210 268 L C 1.980 178.729 176.870 -0.202 0.000 1.072 268 L CA 1.738 56.426 54.840 -0.254 0.000 0.749 268 L CB -0.941 40.883 42.059 -0.391 0.000 0.889 268 L HN 0.271 nan 8.230 nan 0.000 0.432 269 L N -0.375 120.705 121.223 -0.239 0.000 1.988 269 L HA 0.096 4.433 4.340 -0.004 0.000 0.207 269 L C 0.995 177.853 176.870 -0.021 0.000 1.071 269 L CA 0.941 55.714 54.840 -0.111 0.000 0.744 269 L CB -0.734 41.240 42.059 -0.141 0.000 0.893 269 L HN 0.542 nan 8.230 nan 0.000 0.433 270 G N -0.487 108.311 108.800 -0.003 0.000 2.322 270 G HA2 0.015 3.973 3.960 -0.004 0.000 0.289 270 G HA3 0.015 3.973 3.960 -0.004 0.000 0.289 270 G C -1.184 173.753 174.900 0.062 0.000 1.687 270 G CA -0.948 44.167 45.100 0.026 0.000 0.944 270 G HN -0.069 nan 8.290 nan 0.000 0.718 271 E N 0.511 120.733 120.200 0.036 0.000 2.463 271 E HA 0.427 4.774 4.350 -0.004 0.000 0.248 271 E C 0.878 177.500 176.600 0.038 0.000 1.106 271 E CA 1.384 57.806 56.400 0.037 0.000 0.946 271 E CB 0.592 30.300 29.700 0.014 0.000 0.971 271 E HN 2.103 nan 8.360 nan 0.000 0.478 272 G N 2.960 111.789 108.800 0.048 0.000 2.721 272 G HA2 -0.123 3.835 3.960 -0.004 0.000 0.462 272 G HA3 -0.123 3.835 3.960 -0.004 0.000 0.462 272 G C -0.309 174.618 174.900 0.046 0.000 1.062 272 G CA -0.498 44.618 45.100 0.026 0.000 1.233 272 G HN 0.413 nan 8.290 nan 0.000 0.545 273 T N 3.356 117.933 114.554 0.038 0.000 3.705 273 T HA 0.418 4.765 4.350 -0.004 0.000 0.342 273 T C 0.100 174.760 174.700 -0.066 0.000 1.043 273 T CA -0.677 61.458 62.100 0.058 0.000 1.071 273 T CB 1.615 70.621 68.868 0.230 0.000 1.124 273 T HN 1.003 nan 8.240 nan 0.000 0.467 274 Q N 1.989 121.752 119.800 -0.061 0.000 2.394 274 Q HA 0.076 4.414 4.340 -0.004 0.000 0.347 274 Q C -0.546 175.312 176.000 -0.236 0.000 1.144 274 Q CA 0.252 55.985 55.803 -0.116 0.000 1.050 274 Q CB 0.180 28.881 28.738 -0.062 0.000 1.188 274 Q HN 0.419 nan 8.270 nan 0.000 0.406 275 V N 4.830 124.581 119.914 -0.271 0.000 2.340 275 V HA 0.078 4.196 4.120 -0.004 0.000 0.277 275 V C 1.432 177.391 176.094 -0.225 0.000 1.017 275 V CA -0.534 61.547 62.300 -0.364 0.000 0.820 275 V CB 0.853 32.400 31.823 -0.460 0.000 1.028 275 V HN 0.766 nan 8.190 nan 0.000 0.436 276 L N 1.908 123.032 121.223 -0.166 0.000 2.012 276 L HA -0.046 4.291 4.340 -0.004 0.000 0.210 276 L C 1.234 178.001 176.870 -0.171 0.000 1.073 276 L CA 1.785 56.551 54.840 -0.124 0.000 0.748 276 L CB -0.288 41.729 42.059 -0.069 0.000 0.891 276 L HN 0.530 nan 8.230 nan 0.000 0.431 277 K N -1.681 118.572 120.400 -0.245 0.000 2.305 277 K HA 0.573 4.891 4.320 -0.004 0.000 0.268 277 K C -1.159 175.155 176.600 -0.477 0.000 1.034 277 K CA -0.636 55.419 56.287 -0.388 0.000 0.879 277 K CB 2.499 34.668 32.500 -0.552 0.000 1.506 277 K HN -0.200 nan 8.250 nan 0.000 0.425 278 T N 1.042 115.197 114.554 -0.664 0.000 3.047 278 T HA 0.521 4.869 4.350 -0.004 0.000 0.340 278 T C -1.584 172.884 174.700 -0.386 0.000 1.421 278 T CA -0.893 60.951 62.100 -0.426 0.000 1.090 278 T CB 0.631 69.401 68.868 -0.163 0.000 1.292 278 T HN 0.550 nan 8.240 nan 0.000 0.480 279 F N 0.207 120.216 119.950 0.098 0.000 2.713 279 F HA 0.730 5.254 4.527 -0.005 0.000 0.311 279 F C -2.911 172.983 175.800 0.157 0.000 1.141 279 F CA -2.717 55.348 58.000 0.108 0.000 0.939 279 F CB 1.462 40.524 39.000 0.103 0.000 1.325 279 F HN 0.246 nan 8.300 nan 0.000 0.453 280 P HA 0.140 nan 4.420 nan 0.000 0.279 280 P C 0.440 177.904 177.300 0.273 0.000 1.239 280 P CA 0.106 63.361 63.100 0.259 0.000 0.789 280 P CB 1.616 33.421 31.700 0.175 0.000 0.933 281 G N 3.730 112.748 108.800 0.362 0.000 2.529 281 G HA2 -0.338 3.620 3.960 -0.004 0.000 0.219 281 G HA3 -0.338 3.620 3.960 -0.004 0.000 0.219 281 G C 1.463 176.434 174.900 0.119 0.000 1.177 281 G CA 1.284 46.605 45.100 0.369 0.000 0.773 281 G HN 0.501 nan 8.290 nan 0.000 0.573 282 K N 1.369 121.829 120.400 0.100 0.000 2.293 282 K HA -0.035 4.283 4.320 -0.004 0.000 0.204 282 K C 2.454 179.074 176.600 0.033 0.000 1.045 282 K CA 1.721 58.037 56.287 0.049 0.000 0.933 282 K CB -0.626 31.905 32.500 0.051 0.000 0.736 282 K HN 0.271 nan 8.250 nan 0.000 0.463 283 A N -0.133 122.710 122.820 0.039 0.000 1.929 283 A HA -0.017 4.300 4.320 -0.004 0.000 0.216 283 A C 1.828 179.376 177.584 -0.060 0.000 1.176 283 A CA 1.275 53.318 52.037 0.010 0.000 0.628 283 A CB -0.380 18.650 19.000 0.050 0.000 0.816 283 A HN 0.269 nan 8.150 nan 0.000 0.444 284 L N 0.253 121.404 121.223 -0.120 0.000 2.291 284 L HA 0.037 4.375 4.340 -0.004 0.000 0.214 284 L C 1.223 178.054 176.870 -0.064 0.000 1.120 284 L CA 0.611 55.355 54.840 -0.162 0.000 0.799 284 L CB -0.794 41.104 42.059 -0.268 0.000 0.925 284 L HN 0.523 nan 8.230 nan 0.000 0.446 285 E N 0.337 120.523 120.200 -0.023 0.000 2.653 285 E HA 0.086 4.434 4.350 -0.004 0.000 0.264 285 E C 1.333 177.946 176.600 0.020 0.000 0.949 285 E CA 0.854 57.272 56.400 0.029 0.000 0.953 285 E CB 0.075 29.811 29.700 0.059 0.000 0.925 285 E HN 0.354 nan 8.360 nan 0.000 0.475 286 G N 3.761 112.588 108.800 0.046 0.000 2.241 286 G HA2 -0.292 3.665 3.960 -0.004 0.000 0.244 286 G HA3 -0.292 3.665 3.960 -0.004 0.000 0.244 286 G C 0.323 175.224 174.900 0.000 0.000 0.998 286 G CA 0.124 45.167 45.100 -0.095 0.000 0.621 286 G HN 0.538 nan 8.290 nan 0.000 0.519 287 L N 3.709 124.979 121.223 0.079 0.000 2.597 287 L HA 0.218 4.556 4.340 -0.004 0.000 0.271 287 L C -1.231 175.770 176.870 0.219 0.000 1.157 287 L CA -1.119 53.784 54.840 0.105 0.000 0.928 287 L CB 0.361 42.457 42.059 0.062 0.000 1.216 287 L HN 0.144 nan 8.230 nan 0.000 0.481 288 P HA 0.134 nan 4.420 nan 0.000 0.275 288 P C -1.391 175.993 177.300 0.140 0.000 1.228 288 P CA 0.050 63.226 63.100 0.127 0.000 0.786 288 P CB 0.954 32.697 31.700 0.072 0.000 0.927 289 Y N -1.638 118.721 120.300 0.098 0.000 2.818 289 Y HA 0.719 5.267 4.550 -0.004 0.000 0.322 289 Y C -0.806 175.046 175.900 -0.079 0.000 1.323 289 Y CA -1.256 56.865 58.100 0.034 0.000 1.090 289 Y CB 0.167 38.687 38.460 0.100 0.000 1.328 289 Y HN 0.131 nan 8.280 nan 0.000 0.482 290 T N 4.068 118.703 114.554 0.136 0.000 2.809 290 T HA 0.418 4.766 4.350 -0.004 0.000 0.296 290 T C -2.875 171.668 174.700 -0.262 0.000 1.015 290 T CA -1.331 60.680 62.100 -0.148 0.000 0.954 290 T CB 1.106 69.893 68.868 -0.135 0.000 0.950 290 T HN 0.437 nan 8.240 nan 0.000 0.450 291 P HA 0.284 nan 4.420 nan 0.000 0.277 291 P C -2.001 174.964 177.300 -0.559 0.000 1.240 291 P CA -1.650 61.112 63.100 -0.564 0.000 0.798 291 P CB 1.208 32.674 31.700 -0.390 0.000 0.979 292 P HA -0.110 nan 4.420 nan 0.000 0.219 292 P C -0.224 176.495 177.300 -0.969 0.000 1.146 292 P CA 1.612 64.246 63.100 -0.776 0.000 0.808 292 P CB -0.067 31.130 31.700 -0.839 0.000 0.779 293 Y N 0.592 120.855 120.300 -0.062 0.000 2.511 293 Y HA 0.347 4.894 4.550 -0.005 0.000 0.356 293 Y C -2.096 173.816 175.900 0.020 0.000 1.002 293 Y CA -2.828 55.284 58.100 0.019 0.000 1.127 293 Y CB 0.431 38.958 38.460 0.112 0.000 1.137 293 Y HN -0.021 nan 8.280 nan 0.000 0.652 294 P HA -0.042 nan 4.420 nan 0.000 0.266 294 P C -0.456 176.944 177.300 0.167 0.000 1.193 294 P CA 0.467 63.560 63.100 -0.012 0.000 0.770 294 P CB 1.274 32.878 31.700 -0.159 0.000 0.836 295 Q N 0.156 120.122 119.800 0.277 0.000 2.552 295 Q HA 0.555 4.892 4.340 -0.004 0.000 0.289 295 Q C -0.456 175.646 176.000 0.170 0.000 1.097 295 Q CA -1.069 54.855 55.803 0.202 0.000 0.812 295 Q CB 1.633 30.487 28.738 0.194 0.000 1.460 295 Q HN 0.501 nan 8.270 nan 0.000 0.452 296 A N 1.709 124.594 122.820 0.107 0.000 2.906 296 A HA 0.402 4.720 4.320 -0.004 0.000 0.289 296 A C -0.242 177.372 177.584 0.051 0.000 1.675 296 A CA -0.004 52.079 52.037 0.076 0.000 1.372 296 A CB -0.932 18.100 19.000 0.054 0.000 1.091 296 A HN 0.433 nan 8.150 nan 0.000 0.579 297 L N 1.840 123.094 121.223 0.053 0.000 2.322 297 L HA 0.354 4.691 4.340 -0.004 0.000 0.279 297 L C 1.230 178.097 176.870 -0.005 0.000 1.036 297 L CA -0.723 54.104 54.840 -0.021 0.000 0.807 297 L CB 1.685 43.653 42.059 -0.153 0.000 1.226 297 L HN 0.754 nan 8.230 nan 0.000 0.433 298 E N 1.796 121.985 120.200 -0.018 0.000 2.478 298 E HA 0.026 4.374 4.350 -0.004 0.000 0.194 298 E C -0.048 176.557 176.600 0.009 0.000 1.045 298 E CA 0.257 56.658 56.400 0.001 0.000 0.868 298 E CB 0.653 30.352 29.700 -0.002 0.000 0.885 298 E HN 0.512 nan 8.360 nan 0.000 0.505 299 K N -0.857 119.534 120.400 -0.014 0.000 2.610 299 K HA 0.432 4.749 4.320 -0.004 0.000 0.267 299 K C -0.972 175.588 176.600 -0.067 0.000 0.943 299 K CA 0.205 56.511 56.287 0.031 0.000 0.862 299 K CB 1.465 34.007 32.500 0.070 0.000 1.376 299 K HN 0.157 nan 8.250 nan 0.000 0.412 300 G N 1.432 110.232 108.800 0.001 0.000 2.343 300 G HA2 0.073 4.031 3.960 -0.004 0.000 0.465 300 G HA3 0.073 4.031 3.960 -0.004 0.000 0.465 300 G C -0.684 173.960 174.900 -0.427 0.000 1.282 300 G CA -0.105 44.730 45.100 -0.441 0.000 0.996 300 G HN 0.914 nan 8.290 nan 0.000 0.521 301 Y N -2.411 117.529 120.300 -0.600 0.000 4.883 301 Y HA -0.227 4.320 4.550 -0.005 0.000 0.252 301 Y C 0.844 176.169 175.900 -0.958 0.000 0.990 301 Y CA 0.866 58.525 58.100 -0.735 0.000 2.028 301 Y CB -2.109 36.036 38.460 -0.525 0.000 1.513 301 Y HN 1.138 nan 8.280 nan 0.000 0.645 302 F N -2.147 117.683 119.950 -0.200 0.000 2.585 302 F HA 0.831 5.355 4.527 -0.004 0.000 0.350 302 F C 0.163 176.070 175.800 0.179 0.000 1.074 302 F CA -1.765 56.215 58.000 -0.032 0.000 1.032 302 F CB 0.111 39.083 39.000 -0.046 0.000 1.330 302 F HN -0.338 nan 8.300 nan 0.000 0.495 303 V N 1.707 121.879 119.914 0.429 0.000 2.775 303 V HA 0.442 4.560 4.120 -0.004 0.000 0.299 303 V C -0.044 176.139 176.094 0.149 0.000 1.062 303 V CA -0.414 62.007 62.300 0.202 0.000 1.063 303 V CB 1.213 33.081 31.823 0.076 0.000 0.994 303 V HN 0.666 nan 8.190 nan 0.000 0.483 304 V N 4.914 124.795 119.914 -0.055 0.000 3.040 304 V HA 0.520 4.638 4.120 -0.004 0.000 0.312 304 V C -0.511 175.535 176.094 -0.079 0.000 1.115 304 V CA -0.746 61.429 62.300 -0.208 0.000 0.998 304 V CB 2.384 33.860 31.823 -0.579 0.000 1.042 304 V HN 0.644 nan 8.190 nan 0.000 0.433 305 L N 2.959 124.229 121.223 0.078 0.000 2.309 305 L HA 0.888 5.226 4.340 -0.004 0.000 0.282 305 L C -0.097 176.776 176.870 0.005 0.000 1.036 305 L CA -0.248 54.609 54.840 0.029 0.000 0.806 305 L CB 1.646 43.744 42.059 0.066 0.000 1.220 305 L HN 0.774 nan 8.230 nan 0.000 0.429 306 A N 1.531 124.251 122.820 -0.167 0.000 2.513 306 A HA 0.364 4.681 4.320 -0.004 0.000 0.296 306 A C -0.373 176.975 177.584 -0.394 0.000 1.052 306 A CA -0.683 51.232 52.037 -0.204 0.000 0.714 306 A CB 1.026 19.860 19.000 -0.277 0.000 1.279 306 A HN 0.786 nan 8.150 nan 0.000 0.397 307 D N 0.919 121.156 120.400 -0.273 0.000 2.328 307 D HA -0.060 4.577 4.640 -0.004 0.000 0.226 307 D C 0.704 177.003 176.300 -0.001 0.000 1.066 307 D CA 0.837 54.639 54.000 -0.330 0.000 0.861 307 D CB -0.316 40.354 40.800 -0.217 0.000 0.912 307 D HN 0.758 nan 8.370 nan 0.000 0.521 308 Y N -0.190 120.112 120.300 0.003 0.000 2.523 308 Y HA 0.211 4.758 4.550 -0.005 0.000 0.279 308 Y C 1.137 177.082 175.900 0.076 0.000 1.139 308 Y CA -0.752 57.374 58.100 0.044 0.000 1.296 308 Y CB -0.484 37.983 38.460 0.012 0.000 1.045 308 Y HN -0.129 nan 8.280 nan 0.000 0.538 309 V N 2.166 121.884 119.914 -0.327 0.000 2.509 309 V HA 0.057 4.175 4.120 -0.004 0.000 0.297 309 V C 0.880 177.031 176.094 0.095 0.000 1.014 309 V CA 0.114 62.327 62.300 -0.146 0.000 1.127 309 V CB 0.322 32.011 31.823 -0.223 0.000 0.925 309 V HN 0.589 nan 8.190 nan 0.000 0.480 310 S N 4.154 119.944 115.700 0.150 0.000 2.647 310 S HA 0.117 4.584 4.470 -0.004 0.000 0.251 310 S C 0.756 175.486 174.600 0.217 0.000 1.320 310 S CA 1.012 59.310 58.200 0.163 0.000 0.968 310 S CB 0.603 63.874 63.200 0.119 0.000 1.005 310 S HN 1.098 nan 8.310 nan 0.000 0.576 311 Q N -1.633 118.221 119.800 0.089 0.000 1.656 311 Q HA 0.128 4.465 4.340 -0.004 0.000 0.159 311 Q C 0.512 176.454 176.000 -0.096 0.000 0.744 311 Q CA -0.248 55.540 55.803 -0.026 0.000 0.767 311 Q CB -0.116 28.484 28.738 -0.229 0.000 1.205 311 Q HN 0.661 nan 8.270 nan 0.000 0.368 312 E N 1.316 121.480 120.200 -0.061 0.000 2.400 312 E HA 0.051 4.398 4.350 -0.004 0.000 0.195 312 E C -0.661 175.866 176.600 -0.121 0.000 1.012 312 E CA 1.371 57.724 56.400 -0.078 0.000 0.875 312 E CB 0.557 30.235 29.700 -0.037 0.000 0.859 312 E HN 0.590 nan 8.360 nan 0.000 0.498 313 D N -2.934 117.371 120.400 -0.159 0.000 2.639 313 D HA 0.502 5.140 4.640 -0.004 0.000 0.271 313 D C 0.531 176.550 176.300 -0.468 0.000 1.254 313 D CA -0.183 53.624 54.000 -0.323 0.000 0.810 313 D CB 0.533 41.130 40.800 -0.338 0.000 1.351 313 D HN 0.062 nan 8.370 nan 0.000 0.427 314 G N -0.433 107.818 108.800 -0.915 0.000 2.488 314 G HA2 -0.044 3.914 3.960 -0.004 0.000 0.237 314 G HA3 -0.044 3.914 3.960 -0.004 0.000 0.237 314 G C 0.730 175.417 174.900 -0.355 0.000 1.209 314 G CA 1.507 45.938 45.100 -1.115 0.000 0.929 314 G HN 1.594 nan 8.290 nan 0.000 0.578 315 T N -3.384 111.104 114.554 -0.111 0.000 2.954 315 T HA 0.539 4.887 4.350 -0.004 0.000 0.252 315 T C 2.290 177.028 174.700 0.063 0.000 0.983 315 T CA 1.728 63.821 62.100 -0.012 0.000 0.941 315 T CB 1.002 69.895 68.868 0.042 0.000 1.141 315 T HN 2.819 nan 8.240 nan 0.000 0.500 316 G N 1.452 110.317 108.800 0.110 0.000 2.284 316 G HA2 -0.064 3.893 3.960 -0.004 0.000 0.201 316 G HA3 -0.064 3.893 3.960 -0.004 0.000 0.201 316 G C -0.128 174.913 174.900 0.235 0.000 0.998 316 G CA -0.182 45.084 45.100 0.277 0.000 0.651 316 G HN 0.619 nan 8.290 nan 0.000 0.489 317 I N 1.327 121.934 120.570 0.061 0.000 2.474 317 I HA 0.646 4.814 4.170 -0.004 0.000 0.294 317 I C -0.180 175.886 176.117 -0.085 0.000 1.005 317 I CA -1.331 59.912 61.300 -0.095 0.000 1.113 317 I CB 2.182 40.052 38.000 -0.217 0.000 1.289 317 I HN -0.116 nan 8.210 nan 0.000 0.436 318 V N 3.941 123.785 119.914 -0.116 0.000 2.604 318 V HA 0.234 4.352 4.120 -0.004 0.000 0.305 318 V C -0.298 175.736 176.094 -0.099 0.000 1.043 318 V CA -0.775 61.484 62.300 -0.068 0.000 0.888 318 V CB 1.737 33.554 31.823 -0.010 0.000 0.995 318 V HN 0.693 nan 8.190 nan 0.000 0.429 319 H N 3.671 122.628 119.070 -0.188 0.000 2.848 319 H HA 0.361 4.914 4.556 -0.005 0.000 0.341 319 H C -0.307 174.996 175.328 -0.042 0.000 1.060 319 H CA 0.280 56.231 56.048 -0.162 0.000 1.444 319 H CB 0.862 30.526 29.762 -0.164 0.000 1.446 319 H HN 0.636 nan 8.280 nan 0.000 0.583 320 Q N 3.553 123.186 119.800 -0.278 0.000 2.401 320 Q HA 0.566 4.903 4.340 -0.004 0.000 0.260 320 Q C -1.507 174.326 176.000 -0.278 0.000 1.034 320 Q CA -0.540 55.104 55.803 -0.265 0.000 0.737 320 Q CB 0.996 29.684 28.738 -0.083 0.000 1.227 320 Q HN 0.791 nan 8.270 nan 0.000 0.488 321 A N 5.353 127.965 122.820 -0.347 0.000 2.316 321 A HA 0.490 4.808 4.320 -0.004 0.000 0.324 321 A C -1.913 175.626 177.584 -0.074 0.000 1.375 321 A CA -1.353 50.630 52.037 -0.090 0.000 0.882 321 A CB 0.557 19.614 19.000 0.096 0.000 1.152 321 A HN 0.651 nan 8.150 nan 0.000 0.512 322 P HA -0.176 nan 4.420 nan 0.000 0.221 322 P C 1.042 178.215 177.300 -0.213 0.000 1.145 322 P CA 1.782 64.803 63.100 -0.132 0.000 0.795 322 P CB 0.287 31.919 31.700 -0.113 0.000 0.775 323 A N -2.100 120.489 122.820 -0.385 0.000 2.307 323 A HA 0.248 4.566 4.320 -0.004 0.000 0.218 323 A C 0.905 177.906 177.584 -0.972 0.000 1.228 323 A CA 0.024 51.637 52.037 -0.707 0.000 0.857 323 A CB -0.983 17.472 19.000 -0.908 0.000 0.897 323 A HN 0.161 nan 8.150 nan 0.000 0.495 324 F N -1.783 118.148 119.950 -0.032 0.000 2.899 324 F HA 0.385 4.909 4.527 -0.005 0.000 0.337 324 F C 0.894 176.700 175.800 0.010 0.000 1.129 324 F CA -0.028 57.987 58.000 0.026 0.000 1.128 324 F CB 0.932 39.883 39.000 -0.082 0.000 1.154 324 F HN 0.183 nan 8.300 nan 0.000 0.531 325 G N -0.013 108.810 108.800 0.039 0.000 2.731 325 G HA2 0.548 4.505 3.960 -0.004 0.000 0.298 325 G HA3 0.548 4.505 3.960 -0.004 0.000 0.298 325 G C 0.209 175.044 174.900 -0.110 0.000 1.424 325 G CA -0.033 45.035 45.100 -0.054 0.000 1.029 325 G HN 0.069 nan 8.290 nan 0.000 0.518 326 A N 1.527 124.253 122.820 -0.157 0.000 1.898 326 A HA 0.059 4.376 4.320 -0.004 0.000 0.216 326 A C 1.861 179.335 177.584 -0.184 0.000 1.181 326 A CA 1.906 53.853 52.037 -0.151 0.000 0.620 326 A CB -0.328 18.574 19.000 -0.162 0.000 0.819 326 A HN 0.684 nan 8.150 nan 0.000 0.442 327 E N 0.123 120.158 120.200 -0.276 0.000 2.110 327 E HA -0.189 4.159 4.350 -0.004 0.000 0.193 327 E C 1.405 177.861 176.600 -0.241 0.000 0.988 327 E CA 1.348 57.509 56.400 -0.399 0.000 0.804 327 E CB -0.212 28.971 29.700 -0.863 0.000 0.745 327 E HN 0.636 nan 8.360 nan 0.000 0.458 328 D N 0.679 120.979 120.400 -0.166 0.000 2.178 328 D HA -0.129 4.509 4.640 -0.004 0.000 0.202 328 D C 1.749 178.009 176.300 -0.068 0.000 0.974 328 D CA 0.483 54.438 54.000 -0.075 0.000 0.841 328 D CB -0.118 40.626 40.800 -0.093 0.000 0.953 328 D HN 0.070 nan 8.370 nan 0.000 0.478 329 L N 0.611 121.781 121.223 -0.089 0.000 2.217 329 L HA -0.053 4.284 4.340 -0.004 0.000 0.211 329 L C 1.877 178.716 176.870 -0.052 0.000 1.107 329 L CA 1.529 56.323 54.840 -0.076 0.000 0.783 329 L CB -0.117 41.892 42.059 -0.084 0.000 0.919 329 L HN 0.080 nan 8.230 nan 0.000 0.442 330 E N -1.032 119.136 120.200 -0.054 0.000 2.102 330 E HA -0.128 4.220 4.350 -0.004 0.000 0.190 330 E C 1.825 178.434 176.600 0.015 0.000 0.971 330 E CA 1.111 57.491 56.400 -0.033 0.000 0.821 330 E CB 0.310 29.977 29.700 -0.054 0.000 0.777 330 E HN 0.371 nan 8.360 nan 0.000 0.460 331 T N 0.815 115.396 114.554 0.045 0.000 2.759 331 T HA -0.163 4.184 4.350 -0.004 0.000 0.269 331 T C 1.815 176.608 174.700 0.155 0.000 1.042 331 T CA 1.273 63.455 62.100 0.137 0.000 1.140 331 T CB -0.207 68.758 68.868 0.161 0.000 0.864 331 T HN 0.243 nan 8.240 nan 0.000 0.455 332 A N 1.223 124.080 122.820 0.061 0.000 2.067 332 A HA -0.003 4.314 4.320 -0.004 0.000 0.219 332 A C 2.268 179.882 177.584 0.051 0.000 1.158 332 A CA 1.145 53.204 52.037 0.038 0.000 0.661 332 A CB -0.368 18.614 19.000 -0.030 0.000 0.801 332 A HN 0.165 nan 8.150 nan 0.000 0.452 333 R N -0.073 120.446 120.500 0.032 0.000 2.119 333 R HA 0.031 4.368 4.340 -0.004 0.000 0.222 333 R C 1.782 178.092 176.300 0.017 0.000 1.088 333 R CA 1.478 57.583 56.100 0.009 0.000 0.984 333 R CB -1.214 29.076 30.300 -0.017 0.000 0.884 333 R HN 0.283 nan 8.270 nan 0.000 0.447 334 V N 0.075 120.011 119.914 0.036 0.000 2.223 334 V HA -0.258 3.860 4.120 -0.004 0.000 0.244 334 V C 1.628 177.685 176.094 -0.063 0.000 1.045 334 V CA 1.940 64.213 62.300 -0.046 0.000 1.000 334 V CB -0.654 31.118 31.823 -0.086 0.000 0.635 334 V HN 0.238 nan 8.190 nan 0.000 0.445 335 Y N 0.869 121.185 120.300 0.027 0.000 2.632 335 Y HA 0.307 4.854 4.550 -0.005 0.000 0.301 335 Y C 1.871 177.801 175.900 0.049 0.000 1.172 335 Y CA 0.594 58.734 58.100 0.066 0.000 1.328 335 Y CB -0.740 37.806 38.460 0.144 0.000 1.016 335 Y HN 0.425 nan 8.280 nan 0.000 0.529 336 G N 0.780 109.661 108.800 0.136 0.000 2.221 336 G HA2 -0.293 3.664 3.960 -0.004 0.000 0.265 336 G HA3 -0.293 3.664 3.960 -0.004 0.000 0.265 336 G C -0.105 174.828 174.900 0.055 0.000 1.041 336 G CA -0.022 45.119 45.100 0.068 0.000 0.807 336 G HN 0.300 nan 8.290 nan 0.000 0.502 337 L N 0.013 121.264 121.223 0.047 0.000 2.395 337 L HA 0.404 4.741 4.340 -0.004 0.000 0.269 337 L C -1.294 175.539 176.870 -0.061 0.000 1.133 337 L CA -2.086 52.734 54.840 -0.033 0.000 0.812 337 L CB 0.493 42.490 42.059 -0.103 0.000 1.125 337 L HN -0.051 nan 8.230 nan 0.000 0.452 338 P HA 0.052 nan 4.420 nan 0.000 0.271 338 P C -0.934 176.308 177.300 -0.097 0.000 1.233 338 P CA -0.436 62.612 63.100 -0.087 0.000 0.789 338 P CB 0.512 32.159 31.700 -0.090 0.000 0.951 339 L N 2.437 123.602 121.223 -0.096 0.000 2.277 339 L HA 0.328 4.665 4.340 -0.004 0.000 0.284 339 L C -1.131 175.678 176.870 -0.101 0.000 1.028 339 L CA -0.005 54.767 54.840 -0.113 0.000 0.835 339 L CB -0.276 41.707 42.059 -0.126 0.000 1.215 339 L HN 0.210 nan 8.230 nan 0.000 0.425 340 L N 5.902 127.072 121.223 -0.088 0.000 2.259 340 L HA 0.363 4.700 4.340 -0.004 0.000 0.288 340 L C 0.211 177.063 176.870 -0.031 0.000 1.051 340 L CA -0.317 54.507 54.840 -0.027 0.000 0.824 340 L CB 0.506 42.588 42.059 0.038 0.000 1.206 340 L HN 0.568 nan 8.230 nan 0.000 0.429 341 K N 2.123 122.513 120.400 -0.017 0.000 2.231 341 K HA 0.136 4.454 4.320 -0.004 0.000 0.275 341 K C 0.882 177.587 176.600 0.174 0.000 1.105 341 K CA -0.139 56.157 56.287 0.016 0.000 0.931 341 K CB 0.691 33.179 32.500 -0.020 0.000 1.296 341 K HN 0.561 nan 8.250 nan 0.000 0.446 342 T N -1.907 112.848 114.554 0.335 0.000 3.122 342 T HA 0.162 4.510 4.350 -0.004 0.000 0.250 342 T C 0.396 175.307 174.700 0.352 0.000 1.067 342 T CA -0.274 62.021 62.100 0.325 0.000 0.966 342 T CB 0.146 69.206 68.868 0.321 0.000 1.002 342 T HN 0.072 nan 8.240 nan 0.000 0.542 343 V N 2.784 122.970 119.914 0.453 0.000 2.760 343 V HA 0.483 4.600 4.120 -0.004 0.000 0.309 343 V C -0.788 175.515 176.094 0.348 0.000 1.077 343 V CA -1.214 61.314 62.300 0.379 0.000 0.910 343 V CB 2.296 34.388 31.823 0.447 0.000 1.008 343 V HN 0.550 nan 8.190 nan 0.000 0.424 344 D N 2.114 122.633 120.400 0.197 0.000 2.478 344 D HA 0.185 4.823 4.640 -0.004 0.000 0.269 344 D C 0.699 177.017 176.300 0.030 0.000 1.232 344 D CA -0.570 53.531 54.000 0.168 0.000 1.059 344 D CB 0.674 41.553 40.800 0.132 0.000 1.104 344 D HN 0.550 nan 8.370 nan 0.000 0.566 345 E N -0.940 119.303 120.200 0.073 0.000 2.515 345 E HA -0.100 4.247 4.350 -0.004 0.000 0.201 345 E C 0.549 177.216 176.600 0.112 0.000 1.071 345 E CA 0.574 57.000 56.400 0.045 0.000 0.880 345 E CB 0.004 29.817 29.700 0.190 0.000 0.828 345 E HN 0.514 nan 8.360 nan 0.000 0.540 346 E N -0.639 119.612 120.200 0.085 0.000 2.526 346 E HA 0.118 4.466 4.350 -0.004 0.000 0.208 346 E C 0.769 177.484 176.600 0.192 0.000 0.997 346 E CA 0.194 56.677 56.400 0.139 0.000 0.961 346 E CB 1.189 30.959 29.700 0.117 0.000 1.030 346 E HN 0.269 nan 8.360 nan 0.000 0.483 347 G N 2.400 111.241 108.800 0.069 0.000 2.130 347 G HA2 -0.247 3.710 3.960 -0.004 0.000 0.216 347 G HA3 -0.247 3.710 3.960 -0.004 0.000 0.216 347 G C -0.117 174.838 174.900 0.093 0.000 0.999 347 G CA -0.107 45.018 45.100 0.042 0.000 0.686 347 G HN 0.052 nan 8.290 nan 0.000 0.515 348 K N 0.361 120.829 120.400 0.114 0.000 2.221 348 K HA 0.584 4.901 4.320 -0.004 0.000 0.258 348 K C 0.789 177.461 176.600 0.120 0.000 0.944 348 K CA -1.008 55.355 56.287 0.127 0.000 0.823 348 K CB 1.501 34.085 32.500 0.141 0.000 1.113 348 K HN 0.031 nan 8.250 nan 0.000 0.431 349 L N 3.528 124.824 121.223 0.120 0.000 2.483 349 L HA -0.008 4.330 4.340 -0.004 0.000 0.276 349 L C 0.758 177.714 176.870 0.144 0.000 1.213 349 L CA 0.380 55.308 54.840 0.146 0.000 0.843 349 L CB 0.171 42.319 42.059 0.149 0.000 1.107 349 L HN 0.638 nan 8.230 nan 0.000 0.487 350 L N 2.808 124.123 121.223 0.153 0.000 3.016 350 L HA 0.199 4.537 4.340 -0.004 0.000 0.267 350 L C 0.197 177.139 176.870 0.120 0.000 1.182 350 L CA 0.291 55.208 54.840 0.128 0.000 0.997 350 L CB 0.558 42.696 42.059 0.131 0.000 1.354 350 L HN 0.210 nan 8.230 nan 0.000 0.569 351 V N 0.448 120.445 119.914 0.138 0.000 2.368 351 V HA 0.117 4.235 4.120 -0.004 0.000 0.266 351 V C 1.532 177.679 176.094 0.089 0.000 1.045 351 V CA -0.286 62.090 62.300 0.126 0.000 0.899 351 V CB 1.186 33.095 31.823 0.143 0.000 1.006 351 V HN 0.297 nan 8.190 nan 0.000 0.470 352 E N 7.400 127.624 120.200 0.040 0.000 2.340 352 E HA -0.275 4.072 4.350 -0.004 0.000 0.246 352 E C -0.406 176.117 176.600 -0.129 0.000 1.077 352 E CA 3.137 59.524 56.400 -0.021 0.000 1.060 352 E CB -0.931 28.759 29.700 -0.016 0.000 0.935 352 E HN 0.665 nan 8.360 nan 0.000 0.495 353 P HA -0.161 nan 4.420 nan 0.000 0.218 353 P C 0.530 177.337 177.300 -0.823 0.000 1.146 353 P CA 1.641 64.350 63.100 -0.652 0.000 0.813 353 P CB -0.135 30.980 31.700 -0.976 0.000 0.778 354 F N -1.121 118.798 119.950 -0.052 0.000 2.724 354 F HA 0.350 4.875 4.527 -0.004 0.000 0.310 354 F C 0.963 176.759 175.800 -0.007 0.000 1.107 354 F CA -1.122 56.856 58.000 -0.036 0.000 1.218 354 F CB -0.279 38.680 39.000 -0.068 0.000 1.042 354 F HN -0.290 nan 8.300 nan 0.000 0.540 355 K N 1.381 121.848 120.400 0.111 0.000 2.473 355 K HA 0.290 4.608 4.320 -0.004 0.000 0.277 355 K C 1.346 178.000 176.600 0.090 0.000 1.052 355 K CA 1.468 57.813 56.287 0.097 0.000 1.114 355 K CB -0.066 32.469 32.500 0.057 0.000 0.869 355 K HN 0.494 nan 8.250 nan 0.000 0.481 356 G N 2.936 111.795 108.800 0.099 0.000 2.213 356 G HA2 -0.254 3.703 3.960 -0.004 0.000 0.236 356 G HA3 -0.254 3.703 3.960 -0.004 0.000 0.236 356 G C -0.269 174.690 174.900 0.099 0.000 0.991 356 G CA 0.087 45.240 45.100 0.088 0.000 0.629 356 G HN 0.497 nan 8.290 nan 0.000 0.517 357 L N 0.637 121.928 121.223 0.114 0.000 2.371 357 L HA 0.566 4.904 4.340 -0.004 0.000 0.272 357 L C 0.783 177.720 176.870 0.113 0.000 1.124 357 L CA -1.072 53.834 54.840 0.111 0.000 0.816 357 L CB 0.433 42.562 42.059 0.115 0.000 1.129 357 L HN 0.205 nan 8.230 nan 0.000 0.448 358 Y N 2.974 123.244 120.300 -0.050 0.000 2.620 358 Y HA -0.073 4.475 4.550 -0.004 0.000 0.330 358 Y C 1.164 176.944 175.900 -0.200 0.000 1.186 358 Y CA -0.669 57.362 58.100 -0.115 0.000 1.467 358 Y CB 0.455 38.808 38.460 -0.179 0.000 1.262 358 Y HN 0.566 nan 8.280 nan 0.000 0.550 359 F N 3.662 123.154 119.950 -0.763 0.000 2.184 359 F HA -0.223 4.301 4.527 -0.005 0.000 0.301 359 F C 1.702 177.066 175.800 -0.727 0.000 1.076 359 F CA 1.493 58.998 58.000 -0.825 0.000 1.295 359 F CB -0.277 37.892 39.000 -1.386 0.000 1.026 359 F HN 0.429 nan 8.300 nan 0.000 0.494 360 R N 0.812 120.338 120.500 -1.623 0.000 2.148 360 R HA -0.062 4.276 4.340 -0.004 0.000 0.223 360 R C 2.055 178.135 176.300 -0.366 0.000 1.088 360 R CA 1.504 57.038 56.100 -0.943 0.000 0.985 360 R CB -0.476 29.327 30.300 -0.829 0.000 0.880 360 R HN 0.546 nan 8.270 nan 0.000 0.451 361 E N 0.173 120.228 120.200 -0.242 0.000 2.086 361 E HA -0.009 4.338 4.350 -0.004 0.000 0.190 361 E C 1.916 178.475 176.600 -0.068 0.000 0.975 361 E CA 0.736 57.084 56.400 -0.086 0.000 0.813 361 E CB -0.046 29.649 29.700 -0.008 0.000 0.768 361 E HN 0.234 nan 8.360 nan 0.000 0.457 362 A N 1.784 124.548 122.820 -0.093 0.000 2.093 362 A HA -0.276 4.042 4.320 -0.004 0.000 0.222 362 A C 1.736 179.245 177.584 -0.124 0.000 1.162 362 A CA 1.484 53.457 52.037 -0.107 0.000 0.655 362 A CB -0.584 18.328 19.000 -0.147 0.000 0.805 362 A HN 0.159 nan 8.150 nan 0.000 0.461 363 N N 0.193 118.852 118.700 -0.068 0.000 2.018 363 N HA -0.227 4.510 4.740 -0.004 0.000 0.196 363 N C 1.922 177.420 175.510 -0.021 0.000 1.043 363 N CA 2.025 55.060 53.050 -0.024 0.000 0.856 363 N CB -0.515 37.976 38.487 0.007 0.000 1.042 363 N HN 0.829 nan 8.380 nan 0.000 0.423 364 R N 0.617 121.113 120.500 -0.006 0.000 2.115 364 R HA 0.124 4.462 4.340 -0.004 0.000 0.230 364 R C 1.966 178.295 176.300 0.049 0.000 1.111 364 R CA 1.421 57.534 56.100 0.022 0.000 0.976 364 R CB -0.356 29.958 30.300 0.024 0.000 0.870 364 R HN 0.107 nan 8.270 nan 0.000 0.445 365 A N 1.416 124.269 122.820 0.056 0.000 1.930 365 A HA -0.006 4.312 4.320 -0.004 0.000 0.217 365 A C 2.151 179.869 177.584 0.223 0.000 1.175 365 A CA 1.156 53.288 52.037 0.160 0.000 0.627 365 A CB -0.315 18.828 19.000 0.238 0.000 0.815 365 A HN 0.361 nan 8.150 nan 0.000 0.443 366 I N -1.288 119.268 120.570 -0.025 0.000 2.400 366 I HA -0.122 4.045 4.170 -0.004 0.000 0.248 366 I C 2.237 178.406 176.117 0.087 0.000 1.109 366 I CA 0.391 61.640 61.300 -0.085 0.000 1.425 366 I CB -0.228 37.538 38.000 -0.391 0.000 1.094 366 I HN 0.207 nan 8.210 nan 0.000 0.425 367 L N 1.020 122.271 121.223 0.046 0.000 2.013 367 L HA -0.244 4.093 4.340 -0.004 0.000 0.212 367 L C 2.646 179.572 176.870 0.092 0.000 1.073 367 L CA 1.831 56.709 54.840 0.063 0.000 0.753 367 L CB -0.872 41.214 42.059 0.044 0.000 0.890 367 L HN 0.157 nan 8.230 nan 0.000 0.432 368 R N -0.633 119.929 120.500 0.103 0.000 2.083 368 R HA -0.232 4.105 4.340 -0.004 0.000 0.237 368 R C 2.089 178.467 176.300 0.130 0.000 1.137 368 R CA 2.096 58.261 56.100 0.107 0.000 0.951 368 R CB -0.421 29.945 30.300 0.108 0.000 0.851 368 R HN 0.429 nan 8.270 nan 0.000 0.434 369 D N 0.007 120.527 120.400 0.200 0.000 2.123 369 D HA -0.157 4.480 4.640 -0.004 0.000 0.196 369 D C 2.034 178.430 176.300 0.161 0.000 0.992 369 D CA 1.272 55.404 54.000 0.221 0.000 0.833 369 D CB -0.041 41.007 40.800 0.413 0.000 0.954 369 D HN 0.258 nan 8.370 nan 0.000 0.455 370 L N -0.309 121.008 121.223 0.157 0.000 2.046 370 L HA -0.089 4.249 4.340 -0.004 0.000 0.208 370 L C 2.678 179.590 176.870 0.070 0.000 1.077 370 L CA 1.092 55.988 54.840 0.093 0.000 0.747 370 L CB -0.414 41.699 42.059 0.089 0.000 0.896 370 L HN 0.039 nan 8.230 nan 0.000 0.432 371 R N 0.458 121.002 120.500 0.074 0.000 2.189 371 R HA -0.100 4.238 4.340 -0.004 0.000 0.223 371 R C 1.915 178.242 176.300 0.045 0.000 1.092 371 R CA 1.214 57.347 56.100 0.056 0.000 0.989 371 R CB -0.234 30.098 30.300 0.053 0.000 0.876 371 R HN 0.325 nan 8.270 nan 0.000 0.457 372 G N -0.676 108.155 108.800 0.052 0.000 3.042 372 G HA2 -0.037 3.920 3.960 -0.004 0.000 0.212 372 G HA3 -0.037 3.920 3.960 -0.004 0.000 0.212 372 G C 0.811 175.730 174.900 0.031 0.000 1.166 372 G CA -0.281 44.844 45.100 0.041 0.000 0.767 372 G HN 0.243 nan 8.290 nan 0.000 0.546 373 R N -0.168 120.351 120.500 0.031 0.000 2.577 373 R HA 0.256 4.593 4.340 -0.004 0.000 0.344 373 R C 1.197 177.505 176.300 0.014 0.000 1.037 373 R CA 0.130 56.238 56.100 0.014 0.000 1.102 373 R CB 0.686 30.986 30.300 0.001 0.000 1.313 373 R HN 0.186 nan 8.270 nan 0.000 0.561 374 G N 1.832 110.645 108.800 0.023 0.000 2.356 374 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.296 374 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.296 374 G C 0.440 175.366 174.900 0.043 0.000 1.022 374 G CA 0.267 45.383 45.100 0.027 0.000 0.961 374 G HN 0.368 nan 8.290 nan 0.000 0.510 375 L N -1.250 120.003 121.223 0.049 0.000 2.766 375 L HA 0.399 4.737 4.340 -0.004 0.000 0.242 375 L C 1.186 178.126 176.870 0.115 0.000 1.136 375 L CA -0.178 54.703 54.840 0.069 0.000 0.933 375 L CB 0.352 42.424 42.059 0.022 0.000 1.241 375 L HN 0.238 nan 8.230 nan 0.000 0.522 376 L N -0.159 121.129 121.223 0.108 0.000 2.265 376 L HA 0.164 4.501 4.340 -0.004 0.000 0.289 376 L C 0.493 177.461 176.870 0.163 0.000 1.033 376 L CA -0.191 54.733 54.840 0.140 0.000 0.814 376 L CB 1.786 43.904 42.059 0.098 0.000 1.203 376 L HN 0.066 nan 8.230 nan 0.000 0.423 377 F N 4.529 124.542 119.950 0.105 0.000 2.274 377 F HA 0.187 4.711 4.527 -0.004 0.000 0.288 377 F C 0.691 176.532 175.800 0.068 0.000 1.069 377 F CA 0.573 58.618 58.000 0.074 0.000 1.343 377 F CB 0.442 39.481 39.000 0.065 0.000 1.089 377 F HN 0.300 nan 8.300 nan 0.000 0.517 378 K N 0.526 121.200 120.400 0.456 0.000 2.523 378 K HA 0.238 4.555 4.320 -0.004 0.000 0.257 378 K C -1.659 175.170 176.600 0.382 0.000 0.932 378 K CA -0.624 55.867 56.287 0.341 0.000 0.812 378 K CB 1.854 34.577 32.500 0.371 0.000 1.326 378 K HN 0.124 nan 8.250 nan 0.000 0.433 379 E N 3.754 124.092 120.200 0.232 0.000 2.244 379 E HA 0.241 4.589 4.350 -0.004 0.000 0.260 379 E C -1.269 175.426 176.600 0.159 0.000 0.884 379 E CA -0.368 56.142 56.400 0.183 0.000 0.777 379 E CB 1.357 31.127 29.700 0.115 0.000 1.197 379 E HN 0.588 nan 8.360 nan 0.000 0.416 380 E N 1.746 122.049 120.200 0.173 0.000 2.428 380 E HA 0.417 4.764 4.350 -0.004 0.000 0.259 380 E C -1.118 175.561 176.600 0.132 0.000 0.930 380 E CA -1.186 55.304 56.400 0.150 0.000 0.823 380 E CB 1.994 31.800 29.700 0.178 0.000 1.403 380 E HN 0.270 nan 8.360 nan 0.000 0.415 381 S N 0.044 115.828 115.700 0.139 0.000 2.472 381 S HA 0.347 4.815 4.470 -0.004 0.000 0.303 381 S C -1.649 173.093 174.600 0.236 0.000 1.099 381 S CA -0.490 57.802 58.200 0.154 0.000 1.077 381 S CB 0.389 63.664 63.200 0.125 0.000 1.031 381 S HN 0.483 nan 8.310 nan 0.000 0.487 382 Y N 5.302 125.637 120.300 0.058 0.000 2.331 382 Y HA 0.551 5.097 4.550 -0.006 0.000 0.338 382 Y C -0.850 175.103 175.900 0.089 0.000 0.992 382 Y CA -1.178 56.946 58.100 0.040 0.000 1.121 382 Y CB 0.911 39.326 38.460 -0.075 0.000 1.184 382 Y HN 0.412 nan 8.280 nan 0.000 0.469 383 L N 8.978 130.272 121.223 0.118 0.000 2.324 383 L HA 0.383 4.720 4.340 -0.004 0.000 0.274 383 L C -1.284 175.556 176.870 -0.049 0.000 1.012 383 L CA -0.149 54.724 54.840 0.055 0.000 0.859 383 L CB 0.119 42.241 42.059 0.105 0.000 1.224 383 L HN 0.839 nan 8.230 nan 0.000 0.429 384 H N 1.365 120.267 119.070 -0.281 0.000 2.977 384 H HA 0.495 5.047 4.556 -0.005 0.000 0.350 384 H C -0.960 174.367 175.328 -0.002 0.000 1.238 384 H CA -0.935 54.979 56.048 -0.224 0.000 1.124 384 H CB 0.998 30.471 29.762 -0.482 0.000 1.866 384 H HN 0.383 nan 8.280 nan 0.000 0.550 385 S N 0.798 116.480 115.700 -0.030 0.000 2.523 385 S HA 0.437 4.905 4.470 -0.004 0.000 0.275 385 S C -0.698 173.922 174.600 0.034 0.000 1.281 385 S CA -0.532 57.675 58.200 0.012 0.000 1.050 385 S CB 0.325 63.532 63.200 0.012 0.000 0.937 385 S HN 0.609 nan 8.310 nan 0.000 0.492 386 Y N 3.014 123.353 120.300 0.065 0.000 2.553 386 Y HA 0.562 5.109 4.550 -0.005 0.000 0.347 386 Y C -2.810 173.307 175.900 0.362 0.000 1.019 386 Y CA -2.387 55.798 58.100 0.141 0.000 1.032 386 Y CB 2.358 40.740 38.460 -0.130 0.000 1.284 386 Y HN 0.512 nan 8.280 nan 0.000 0.466 387 P HA 0.176 nan 4.420 nan 0.000 0.276 387 P C -1.446 175.679 177.300 -0.292 0.000 1.264 387 P CA 0.488 63.279 63.100 -0.516 0.000 0.769 387 P CB 0.654 31.891 31.700 -0.770 0.000 0.840 388 H N 0.670 119.666 119.070 -0.123 0.000 2.710 388 H HA 0.281 4.834 4.556 -0.005 0.000 0.361 388 H C 0.011 175.345 175.328 0.010 0.000 1.175 388 H CA -0.709 55.343 56.048 0.007 0.000 1.206 388 H CB 0.627 30.427 29.762 0.064 0.000 1.750 388 H HN 0.443 nan 8.280 nan 0.000 0.553 389 C N 4.386 123.788 119.300 0.170 0.000 2.633 389 C HA -0.029 4.429 4.460 -0.004 0.000 0.415 389 C C 1.860 176.976 174.990 0.210 0.000 1.393 389 C CA -0.474 58.646 59.018 0.169 0.000 1.700 389 C CB -1.159 26.635 27.740 0.090 0.000 2.541 389 C HN 0.991 nan 8.230 nan 0.000 0.603 390 W N 6.859 128.176 121.300 0.029 0.000 2.392 390 W HA -0.034 4.624 4.660 -0.004 0.000 0.279 390 W C 1.519 178.069 176.519 0.052 0.000 1.225 390 W CA 0.820 58.193 57.345 0.046 0.000 1.233 390 W CB -1.006 28.499 29.460 0.075 0.000 1.122 390 W HN 0.650 nan 8.180 nan 0.000 0.561 391 R N 1.837 122.076 120.500 -0.435 0.000 2.029 391 R HA 0.005 4.342 4.340 -0.004 0.000 0.210 391 R C 1.227 177.420 176.300 -0.178 0.000 1.272 391 R CA 1.077 56.902 56.100 -0.458 0.000 0.998 391 R CB -1.765 28.180 30.300 -0.591 0.000 0.823 391 R HN 0.223 nan 8.270 nan 0.000 0.481 392 C N 1.484 120.710 119.300 -0.124 0.000 2.482 392 C HA 0.391 4.848 4.460 -0.004 0.000 0.378 392 C C 1.187 176.182 174.990 0.009 0.000 1.284 392 C CA -0.822 58.166 59.018 -0.051 0.000 1.826 392 C CB 0.151 27.865 27.740 -0.043 0.000 2.473 392 C HN 0.375 nan 8.230 nan 0.000 0.562 393 S N 2.993 118.710 115.700 0.029 0.000 3.077 393 S HA -0.033 4.434 4.470 -0.004 0.000 0.244 393 S C 0.888 175.591 174.600 0.171 0.000 1.013 393 S CA 0.419 58.672 58.200 0.088 0.000 1.121 393 S CB -0.960 62.266 63.200 0.044 0.000 0.847 393 S HN 0.956 nan 8.310 nan 0.000 0.514 394 T N 5.206 119.842 114.554 0.136 0.000 2.901 394 T HA 0.172 4.520 4.350 -0.004 0.000 0.301 394 T C -2.230 172.573 174.700 0.171 0.000 1.012 394 T CA -1.012 61.181 62.100 0.155 0.000 1.135 394 T CB 0.651 69.587 68.868 0.113 0.000 0.936 394 T HN 0.147 nan 8.240 nan 0.000 0.539 395 P HA 0.211 nan 4.420 nan 0.000 0.276 395 P C -0.626 176.727 177.300 0.087 0.000 1.230 395 P CA -0.606 62.433 63.100 -0.101 0.000 0.776 395 P CB 0.606 32.242 31.700 -0.108 0.000 0.888 396 L N 3.859 125.082 121.223 0.000 0.000 2.468 396 L HA 0.471 4.809 4.340 -0.004 0.000 0.254 396 L C 0.983 177.850 176.870 -0.006 0.000 1.171 396 L CA 0.081 54.900 54.840 -0.035 0.000 0.809 396 L CB -0.158 41.775 42.059 -0.210 0.000 1.155 396 L HN 0.491 nan 8.230 nan 0.000 0.473 397 M N -0.077 119.448 119.600 -0.124 0.000 2.277 397 M HA 0.443 4.920 4.480 -0.004 0.000 0.282 397 M C -1.754 174.548 176.300 0.003 0.000 1.074 397 M CA -0.771 54.482 55.300 -0.077 0.000 0.954 397 M CB 1.531 33.843 32.600 -0.480 0.000 1.672 397 M HN 0.200 nan 8.290 nan 0.000 0.471 398 Y N 2.640 123.122 120.300 0.303 0.000 2.569 398 Y HA 0.337 4.884 4.550 -0.004 0.000 0.332 398 Y C -0.761 175.369 175.900 0.384 0.000 1.120 398 Y CA 0.746 59.014 58.100 0.279 0.000 1.416 398 Y CB 0.142 38.728 38.460 0.210 0.000 1.210 398 Y HN 0.623 nan 8.280 nan 0.000 0.528 399 Y N 1.727 122.146 120.300 0.198 0.000 2.545 399 Y HA 0.747 5.294 4.550 -0.005 0.000 0.348 399 Y C -0.995 174.867 175.900 -0.062 0.000 1.002 399 Y CA -1.868 56.247 58.100 0.025 0.000 1.039 399 Y CB 1.656 39.993 38.460 -0.206 0.000 1.271 399 Y HN 0.565 nan 8.280 nan 0.000 0.467 400 A N 3.342 125.812 122.820 -0.584 0.000 2.271 400 A HA 0.711 5.028 4.320 -0.004 0.000 0.317 400 A C -0.493 176.628 177.584 -0.772 0.000 1.245 400 A CA -0.011 51.715 52.037 -0.520 0.000 0.857 400 A CB 0.757 19.527 19.000 -0.383 0.000 1.175 400 A HN 0.749 nan 8.150 nan 0.000 0.512 401 T N 0.859 114.964 114.554 -0.749 0.000 2.749 401 T HA 0.329 4.676 4.350 -0.004 0.000 0.310 401 T C -0.943 173.446 174.700 -0.518 0.000 1.496 401 T CA -0.536 61.160 62.100 -0.673 0.000 1.006 401 T CB 1.063 69.846 68.868 -0.142 0.000 1.457 401 T HN 0.812 nan 8.240 nan 0.000 0.497 402 E N 1.118 121.220 120.200 -0.164 0.000 2.452 402 E HA 0.435 4.783 4.350 -0.004 0.000 0.261 402 E C -0.748 175.764 176.600 -0.146 0.000 0.987 402 E CA 0.134 56.504 56.400 -0.049 0.000 0.926 402 E CB 0.389 30.160 29.700 0.118 0.000 0.934 402 E HN 0.586 nan 8.360 nan 0.000 0.452 403 S N 2.988 118.509 115.700 -0.297 0.000 2.567 403 S HA 0.466 4.934 4.470 -0.004 0.000 0.270 403 S C -2.174 172.007 174.600 -0.699 0.000 1.152 403 S CA -0.768 57.130 58.200 -0.504 0.000 0.835 403 S CB 0.480 63.360 63.200 -0.534 0.000 1.115 403 S HN 0.523 nan 8.310 nan 0.000 0.459 404 W N 2.275 123.095 121.300 -0.801 0.000 2.632 404 W HA 0.738 5.396 4.660 -0.004 0.000 0.328 404 W C -0.988 175.031 176.519 -0.833 0.000 1.044 404 W CA -0.444 56.520 57.345 -0.634 0.000 1.225 404 W CB 1.207 30.383 29.460 -0.474 0.000 1.396 404 W HN 0.480 nan 8.180 nan 0.000 0.499 405 F N 2.534 122.245 119.950 -0.397 0.000 2.598 405 F HA 0.620 5.144 4.527 -0.004 0.000 0.327 405 F C 0.027 175.747 175.800 -0.132 0.000 1.057 405 F CA -1.315 56.498 58.000 -0.312 0.000 0.957 405 F CB 1.103 39.827 39.000 -0.459 0.000 1.278 405 F HN -0.103 nan 8.300 nan 0.000 0.484 406 I N 1.851 122.582 120.570 0.267 0.000 2.330 406 I HA 0.222 4.389 4.170 -0.004 0.000 0.289 406 I C 0.150 176.530 176.117 0.438 0.000 1.001 406 I CA -0.741 60.725 61.300 0.278 0.000 1.193 406 I CB 1.299 39.402 38.000 0.172 0.000 1.345 406 I HN 0.441 nan 8.210 nan 0.000 0.461 407 K N 6.087 126.764 120.400 0.461 0.000 2.652 407 K HA -0.022 4.296 4.320 -0.004 0.000 0.239 407 K C 0.998 177.824 176.600 0.378 0.000 1.235 407 K CA 0.049 56.581 56.287 0.408 0.000 1.191 407 K CB -0.557 32.112 32.500 0.281 0.000 1.348 407 K HN 0.664 nan 8.250 nan 0.000 0.239 408 N N -1.019 117.917 118.700 0.394 0.000 2.550 408 N HA -0.124 4.613 4.740 -0.004 0.000 0.186 408 N C 1.172 176.882 175.510 0.332 0.000 1.110 408 N CA 0.713 54.001 53.050 0.395 0.000 0.912 408 N CB 0.059 38.785 38.487 0.397 0.000 0.968 408 N HN 0.118 nan 8.380 nan 0.000 0.448 409 T N -0.721 113.971 114.554 0.229 0.000 2.985 409 T HA 0.046 4.394 4.350 -0.004 0.000 0.266 409 T C 1.630 176.383 174.700 0.087 0.000 1.076 409 T CA 0.263 62.437 62.100 0.123 0.000 1.135 409 T CB -0.356 68.541 68.868 0.049 0.000 0.890 409 T HN 0.180 nan 8.240 nan 0.000 0.480 410 L N -0.267 121.004 121.223 0.079 0.000 2.700 410 L HA 0.193 4.530 4.340 -0.004 0.000 0.240 410 L C 0.565 177.253 176.870 -0.304 0.000 1.162 410 L CA 0.794 55.558 54.840 -0.127 0.000 0.874 410 L CB -0.497 41.437 42.059 -0.209 0.000 1.001 410 L HN 0.278 nan 8.230 nan 0.000 0.447 411 F N -1.999 117.974 119.950 0.038 0.000 2.859 411 F HA 0.123 4.648 4.527 -0.005 0.000 0.324 411 F C 1.748 177.574 175.800 0.044 0.000 1.158 411 F CA -0.368 57.659 58.000 0.045 0.000 1.147 411 F CB 0.151 39.194 39.000 0.071 0.000 1.137 411 F HN -0.176 nan 8.300 nan 0.000 0.516 412 K N 0.934 121.430 120.400 0.159 0.000 2.074 412 K HA -0.212 4.106 4.320 -0.004 0.000 0.209 412 K C 1.248 177.892 176.600 0.073 0.000 1.048 412 K CA 2.401 58.742 56.287 0.090 0.000 0.926 412 K CB -0.022 32.489 32.500 0.019 0.000 0.713 412 K HN 0.164 nan 8.250 nan 0.000 0.444 413 D N 0.184 120.620 120.400 0.059 0.000 2.123 413 D HA -0.147 4.490 4.640 -0.004 0.000 0.200 413 D C 1.898 178.248 176.300 0.083 0.000 0.976 413 D CA 1.038 55.066 54.000 0.047 0.000 0.831 413 D CB -0.118 40.695 40.800 0.022 0.000 0.974 413 D HN 0.305 nan 8.370 nan 0.000 0.469 414 E N 1.054 121.331 120.200 0.128 0.000 2.070 414 E HA -0.140 4.208 4.350 -0.004 0.000 0.197 414 E C 2.291 178.992 176.600 0.169 0.000 1.004 414 E CA 0.765 57.260 56.400 0.158 0.000 0.805 414 E CB -0.392 29.463 29.700 0.259 0.000 0.744 414 E HN 0.217 nan 8.360 nan 0.000 0.451 415 L N -0.006 121.340 121.223 0.204 0.000 2.127 415 L HA -0.166 4.172 4.340 -0.004 0.000 0.211 415 L C 2.389 179.395 176.870 0.227 0.000 1.089 415 L CA 0.993 55.995 54.840 0.269 0.000 0.757 415 L CB -0.345 41.859 42.059 0.243 0.000 0.899 415 L HN 0.241 nan 8.230 nan 0.000 0.434 416 I N -1.118 119.519 120.570 0.111 0.000 2.406 416 I HA -0.175 3.992 4.170 -0.004 0.000 0.249 416 I C 2.667 178.827 176.117 0.073 0.000 1.122 416 I CA 0.704 62.034 61.300 0.050 0.000 1.431 416 I CB -0.220 37.782 38.000 0.002 0.000 1.087 416 I HN 0.181 nan 8.210 nan 0.000 0.424 417 R N 0.965 121.514 120.500 0.082 0.000 2.075 417 R HA -0.133 4.204 4.340 -0.004 0.000 0.230 417 R C 2.184 178.535 176.300 0.085 0.000 1.140 417 R CA 1.603 57.743 56.100 0.067 0.000 0.928 417 R CB -0.477 29.858 30.300 0.058 0.000 0.834 417 R HN 0.368 nan 8.270 nan 0.000 0.429 418 N N 0.969 119.737 118.700 0.113 0.000 2.094 418 N HA -0.243 4.494 4.740 -0.004 0.000 0.191 418 N C 1.452 177.072 175.510 0.183 0.000 1.023 418 N CA 1.230 54.342 53.050 0.103 0.000 0.857 418 N CB -0.711 37.803 38.487 0.046 0.000 1.013 418 N HN 0.394 nan 8.380 nan 0.000 0.426 419 N N 0.793 119.669 118.700 0.293 0.000 2.272 419 N HA -0.171 4.566 4.740 -0.004 0.000 0.185 419 N C 1.249 176.879 175.510 0.201 0.000 1.014 419 N CA 0.728 53.931 53.050 0.255 0.000 0.870 419 N CB 0.166 38.727 38.487 0.123 0.000 0.975 419 N HN 0.251 nan 8.380 nan 0.000 0.433 420 Q N 0.874 120.747 119.800 0.121 0.000 2.119 420 Q HA -0.112 4.226 4.340 -0.004 0.000 0.201 420 Q C 1.550 177.591 176.000 0.070 0.000 0.972 420 Q CA 1.087 56.942 55.803 0.087 0.000 0.847 420 Q CB -0.162 28.605 28.738 0.049 0.000 0.903 420 Q HN 0.591 nan 8.270 nan 0.000 0.433 421 E N 0.242 120.464 120.200 0.038 0.000 2.153 421 E HA -0.068 4.279 4.350 -0.004 0.000 0.194 421 E C 0.578 177.148 176.600 -0.050 0.000 0.988 421 E CA 0.109 56.499 56.400 -0.017 0.000 0.811 421 E CB -0.027 29.644 29.700 -0.049 0.000 0.746 421 E HN 0.323 nan 8.360 nan 0.000 0.466 422 I N 0.992 121.527 120.570 -0.058 0.000 2.836 422 I HA -0.081 4.087 4.170 -0.004 0.000 0.285 422 I C 0.846 176.919 176.117 -0.073 0.000 1.174 422 I CA 0.399 61.579 61.300 -0.200 0.000 1.405 422 I CB 0.249 38.005 38.000 -0.408 0.000 1.385 422 I HN 0.105 nan 8.210 nan 0.000 0.594 423 H N 5.270 124.144 119.070 -0.326 0.000 2.572 423 H HA 0.208 4.761 4.556 -0.005 0.000 0.248 423 H C -1.232 173.909 175.328 -0.313 0.000 1.397 423 H CA -0.999 54.915 56.048 -0.224 0.000 1.319 423 H CB 0.248 29.878 29.762 -0.219 0.000 1.452 423 H HN 0.482 nan 8.280 nan 0.000 0.535 424 W N 4.062 125.292 121.300 -0.117 0.000 2.251 424 W HA 0.026 4.685 4.660 -0.002 0.000 0.327 424 W C 1.017 177.364 176.519 -0.286 0.000 1.361 424 W CA -0.377 56.827 57.345 -0.235 0.000 1.234 424 W CB 0.568 29.933 29.460 -0.157 0.000 1.212 424 W HN 0.290 nan 8.180 nan 0.000 0.557 425 V N 4.543 124.327 119.914 -0.216 0.000 2.232 425 V HA -0.143 3.974 4.120 -0.004 0.000 0.237 425 V C -1.373 174.673 176.094 -0.080 0.000 1.035 425 V CA 0.848 63.013 62.300 -0.224 0.000 0.988 425 V CB -1.660 30.026 31.823 -0.229 0.000 0.636 425 V HN 0.388 nan 8.190 nan 0.000 0.456 426 P HA 0.033 nan 4.420 nan 0.000 0.260 426 P C -2.403 174.762 177.300 -0.225 0.000 1.207 426 P CA -0.848 62.119 63.100 -0.220 0.000 0.780 426 P CB 0.490 31.968 31.700 -0.370 0.000 0.789 427 P HA -0.206 nan 4.420 nan 0.000 0.216 427 P C 1.325 178.609 177.300 -0.027 0.000 1.150 427 P CA 1.773 64.882 63.100 0.014 0.000 0.843 427 P CB -0.655 31.084 31.700 0.064 0.000 0.787 428 H N -1.580 117.500 119.070 0.016 0.000 2.518 428 H HA -0.079 4.476 4.556 -0.002 0.000 0.292 428 H C 1.566 176.845 175.328 -0.081 0.000 1.068 428 H CA 0.835 56.868 56.048 -0.023 0.000 1.275 428 H CB -1.395 28.359 29.762 -0.014 0.000 1.375 428 H HN 0.109 nan 8.280 nan 0.000 0.563 429 I N 0.764 121.229 120.570 -0.175 0.000 2.676 429 I HA -0.123 4.044 4.170 -0.004 0.000 0.259 429 I C 2.352 178.144 176.117 -0.543 0.000 1.194 429 I CA 0.892 62.029 61.300 -0.272 0.000 1.473 429 I CB -0.729 37.073 38.000 -0.329 0.000 1.096 429 I HN 0.393 nan 8.210 nan 0.000 0.443 430 K N 1.587 121.716 120.400 -0.451 0.000 2.026 430 K HA -0.203 4.115 4.320 -0.004 0.000 0.208 430 K C 1.665 178.118 176.600 -0.245 0.000 1.048 430 K CA 1.800 57.813 56.287 -0.458 0.000 0.929 430 K CB 0.251 32.705 32.500 -0.077 0.000 0.713 430 K HN 0.218 nan 8.250 nan 0.000 0.439 431 E N -0.683 119.439 120.200 -0.130 0.000 2.307 431 E HA 0.111 4.458 4.350 -0.004 0.000 0.195 431 E C 1.316 177.868 176.600 -0.080 0.000 0.975 431 E CA 0.567 56.915 56.400 -0.086 0.000 0.878 431 E CB 0.140 29.816 29.700 -0.039 0.000 0.845 431 E HN 0.403 nan 8.360 nan 0.000 0.488 432 G N 1.171 109.934 108.800 -0.061 0.000 2.948 432 G HA2 -0.119 3.839 3.960 -0.004 0.000 0.174 432 G HA3 -0.119 3.839 3.960 -0.004 0.000 0.174 432 G C 1.220 176.094 174.900 -0.044 0.000 1.839 432 G CA -0.129 44.955 45.100 -0.027 0.000 0.908 432 G HN -0.061 nan 8.290 nan 0.000 0.419 433 R N -0.922 119.567 120.500 -0.018 0.000 2.165 433 R HA -0.181 4.157 4.340 -0.004 0.000 0.254 433 R C 2.151 178.448 176.300 -0.005 0.000 1.153 433 R CA 1.830 57.923 56.100 -0.011 0.000 0.971 433 R CB -1.000 29.296 30.300 -0.008 0.000 0.878 433 R HN 0.565 nan 8.270 nan 0.000 0.449 434 Y N -0.264 119.865 120.300 -0.284 0.000 2.479 434 Y HA 0.196 4.744 4.550 -0.004 0.000 0.283 434 Y C 2.223 178.034 175.900 -0.148 0.000 1.109 434 Y CA 0.757 58.692 58.100 -0.274 0.000 1.239 434 Y CB -0.395 37.688 38.460 -0.628 0.000 1.108 434 Y HN 0.074 nan 8.280 nan 0.000 0.548 435 G N -0.091 108.553 108.800 -0.260 0.000 2.421 435 G HA2 -0.295 3.662 3.960 -0.004 0.000 0.216 435 G HA3 -0.295 3.662 3.960 -0.004 0.000 0.216 435 G C 1.490 176.278 174.900 -0.187 0.000 1.171 435 G CA 1.113 46.072 45.100 -0.236 0.000 0.775 435 G HN 0.346 nan 8.290 nan 0.000 0.543 436 E N -0.357 119.776 120.200 -0.113 0.000 2.097 436 E HA -0.170 4.178 4.350 -0.004 0.000 0.196 436 E C 1.942 178.498 176.600 -0.074 0.000 1.000 436 E CA 1.111 57.468 56.400 -0.072 0.000 0.804 436 E CB -0.396 29.289 29.700 -0.024 0.000 0.740 436 E HN 0.592 nan 8.360 nan 0.000 0.454 437 W N 0.160 121.321 121.300 -0.231 0.000 2.392 437 W HA -0.062 4.595 4.660 -0.006 0.000 0.279 437 W C 1.618 177.977 176.519 -0.265 0.000 1.225 437 W CA 1.123 58.334 57.345 -0.223 0.000 1.233 437 W CB -0.081 29.246 29.460 -0.221 0.000 1.122 437 W HN 0.095 nan 8.180 nan 0.000 0.561 438 L N 0.070 121.125 121.223 -0.281 0.000 2.109 438 L HA -0.161 4.176 4.340 -0.004 0.000 0.207 438 L C 2.349 179.066 176.870 -0.255 0.000 1.086 438 L CA 1.236 55.891 54.840 -0.308 0.000 0.760 438 L CB -0.656 41.212 42.059 -0.317 0.000 0.910 438 L HN -0.132 nan 8.230 nan 0.000 0.437 439 K N 0.356 120.628 120.400 -0.213 0.000 2.147 439 K HA -0.148 4.170 4.320 -0.004 0.000 0.205 439 K C 1.227 177.712 176.600 -0.192 0.000 1.049 439 K CA 1.570 57.760 56.287 -0.162 0.000 0.936 439 K CB -0.209 32.217 32.500 -0.125 0.000 0.722 439 K HN 0.404 nan 8.250 nan 0.000 0.446 440 N N 0.688 119.222 118.700 -0.276 0.000 2.322 440 N HA 0.031 4.768 4.740 -0.004 0.000 0.194 440 N C -0.314 174.963 175.510 -0.389 0.000 1.126 440 N CA -0.256 52.615 53.050 -0.298 0.000 0.845 440 N CB 0.268 38.571 38.487 -0.306 0.000 0.976 440 N HN 0.008 nan 8.380 nan 0.000 0.475 441 L N 2.036 123.008 121.223 -0.419 0.000 2.667 441 L HA -0.057 4.281 4.340 -0.004 0.000 0.296 441 L C -0.218 176.510 176.870 -0.237 0.000 1.252 441 L CA 1.188 55.785 54.840 -0.406 0.000 0.891 441 L CB 0.121 42.045 42.059 -0.224 0.000 1.141 441 L HN -0.077 nan 8.230 nan 0.000 0.501 442 V N 4.014 123.810 119.914 -0.197 0.000 2.823 442 V HA 0.277 4.395 4.120 -0.004 0.000 0.312 442 V C -0.325 175.815 176.094 0.077 0.000 1.072 442 V CA -1.239 61.026 62.300 -0.059 0.000 0.937 442 V CB 2.162 33.952 31.823 -0.055 0.000 1.013 442 V HN 0.673 nan 8.190 nan 0.000 0.430 443 D N 1.985 122.460 120.400 0.125 0.000 2.548 443 D HA -0.064 4.573 4.640 -0.004 0.000 0.231 443 D C -0.344 176.229 176.300 0.456 0.000 1.142 443 D CA 0.320 54.486 54.000 0.277 0.000 0.866 443 D CB 0.416 41.343 40.800 0.211 0.000 1.190 443 D HN 0.505 nan 8.370 nan 0.000 0.469 444 W N 2.782 124.281 121.300 0.331 0.000 2.437 444 W HA 0.436 5.094 4.660 -0.003 0.000 0.312 444 W C -0.621 176.106 176.519 0.347 0.000 1.242 444 W CA -1.678 55.880 57.345 0.355 0.000 1.340 444 W CB -0.363 29.312 29.460 0.359 0.000 1.327 444 W HN 0.271 nan 8.180 nan 0.000 0.476 445 A N 7.209 130.448 122.820 0.698 0.000 2.395 445 A HA 0.277 4.595 4.320 -0.004 0.000 0.286 445 A C 0.358 178.036 177.584 0.156 0.000 1.193 445 A CA -0.297 51.848 52.037 0.180 0.000 0.852 445 A CB 0.504 19.590 19.000 0.143 0.000 1.118 445 A HN 0.840 nan 8.150 nan 0.000 0.524 446 L N 3.838 124.966 121.223 -0.158 0.000 2.269 446 L HA 0.134 4.472 4.340 -0.004 0.000 0.200 446 L C 1.664 178.438 176.870 -0.160 0.000 1.069 446 L CA 1.593 56.314 54.840 -0.198 0.000 0.804 446 L CB -0.336 41.489 42.059 -0.390 0.000 0.987 446 L HN 0.721 nan 8.230 nan 0.000 0.468 447 S N 1.436 116.990 115.700 -0.243 0.000 2.563 447 S HA 0.221 4.689 4.470 -0.004 0.000 0.284 447 S C 0.014 174.555 174.600 -0.098 0.000 1.331 447 S CA -0.366 57.693 58.200 -0.234 0.000 1.047 447 S CB 0.317 63.236 63.200 -0.469 0.000 0.859 447 S HN 0.322 nan 8.310 nan 0.000 0.514 448 R N 2.165 122.665 120.500 -0.001 0.000 2.515 448 R HA 0.270 4.607 4.340 -0.004 0.000 0.291 448 R C -1.305 175.038 176.300 0.071 0.000 1.046 448 R CA -0.594 55.527 56.100 0.035 0.000 0.914 448 R CB 1.244 31.560 30.300 0.028 0.000 1.191 448 R HN 0.704 nan 8.270 nan 0.000 0.435 449 N N 2.746 121.479 118.700 0.055 0.000 3.243 449 N HA 0.092 4.829 4.740 -0.004 0.000 0.310 449 N C 0.001 175.354 175.510 -0.262 0.000 1.313 449 N CA 0.048 53.089 53.050 -0.015 0.000 1.204 449 N CB 0.254 38.776 38.487 0.058 0.000 1.483 449 N HN 0.198 nan 8.380 nan 0.000 0.553 450 R N -0.345 119.954 120.500 -0.336 0.000 3.307 450 R HA 0.438 4.775 4.340 -0.004 0.000 0.227 450 R C 0.232 176.042 176.300 -0.817 0.000 1.645 450 R CA -0.472 55.267 56.100 -0.601 0.000 1.015 450 R CB -0.007 30.186 30.300 -0.177 0.000 1.832 450 R HN 0.200 nan 8.270 nan 0.000 0.533 451 Y N -1.905 118.495 120.300 0.167 0.000 2.784 451 Y HA 0.262 4.810 4.550 -0.004 0.000 0.267 451 Y C 0.642 176.738 175.900 0.326 0.000 1.117 451 Y CA -0.527 57.711 58.100 0.230 0.000 1.231 451 Y CB 0.659 39.304 38.460 0.308 0.000 1.441 451 Y HN 0.394 nan 8.280 nan 0.000 0.469 452 W N 2.857 124.311 121.300 0.257 0.000 2.360 452 W HA 0.513 5.170 4.660 -0.004 0.000 0.344 452 W C -0.425 176.091 176.519 -0.005 0.000 1.025 452 W CA 0.073 57.490 57.345 0.121 0.000 1.480 452 W CB 0.250 29.747 29.460 0.062 0.000 1.350 452 W HN 0.177 nan 8.180 nan 0.000 0.382 453 G N 2.171 110.680 108.800 -0.484 0.000 2.349 453 G HA2 0.130 4.087 3.960 -0.004 0.000 0.294 453 G HA3 0.130 4.087 3.960 -0.004 0.000 0.294 453 G C -1.142 173.269 174.900 -0.816 0.000 1.380 453 G CA -0.859 43.698 45.100 -0.904 0.000 0.811 453 G HN -0.028 nan 8.290 nan 0.000 0.519 454 T N 3.194 117.367 114.554 -0.634 0.000 2.784 454 T HA 0.404 4.752 4.350 -0.004 0.000 0.291 454 T C -2.149 172.492 174.700 -0.098 0.000 0.942 454 T CA -0.127 61.834 62.100 -0.232 0.000 1.161 454 T CB 1.009 69.900 68.868 0.039 0.000 0.885 454 T HN 0.235 nan 8.240 nan 0.000 0.534 455 P HA 0.125 nan 4.420 nan 0.000 0.271 455 P C -0.557 176.667 177.300 -0.126 0.000 1.233 455 P CA -0.693 62.398 63.100 -0.014 0.000 0.789 455 P CB 0.437 32.212 31.700 0.125 0.000 0.951 456 L N 4.607 125.655 121.223 -0.292 0.000 2.262 456 L HA 0.375 4.712 4.340 -0.004 0.000 0.288 456 L C -1.979 174.492 176.870 -0.664 0.000 1.035 456 L CA -2.431 52.123 54.840 -0.477 0.000 0.820 456 L CB 0.731 42.495 42.059 -0.490 0.000 1.204 456 L HN 0.258 nan 8.230 nan 0.000 0.424 457 P HA -0.003 nan 4.420 nan 0.000 0.301 457 P C -0.365 176.581 177.300 -0.590 0.000 1.560 457 P CA 0.600 63.129 63.100 -0.951 0.000 0.784 457 P CB -0.538 30.328 31.700 -1.390 0.000 1.715 458 I N -0.262 119.882 120.570 -0.710 0.000 2.354 458 I HA 0.345 4.512 4.170 -0.004 0.000 0.292 458 I C 0.334 176.151 176.117 -0.500 0.000 0.989 458 I CA -0.657 60.306 61.300 -0.560 0.000 1.188 458 I CB 1.566 39.117 38.000 -0.748 0.000 1.342 458 I HN -0.039 nan 8.210 nan 0.000 0.457 459 W N 5.870 127.025 121.300 -0.241 0.000 2.478 459 W HA 0.570 5.227 4.660 -0.004 0.000 0.318 459 W C -1.013 175.475 176.519 -0.052 0.000 1.062 459 W CA -0.573 56.702 57.345 -0.116 0.000 1.210 459 W CB 2.198 31.604 29.460 -0.090 0.000 1.325 459 W HN 0.097 nan 8.180 nan 0.000 0.496 460 V N 3.634 123.610 119.914 0.103 0.000 2.540 460 V HA 0.145 4.262 4.120 -0.004 0.000 0.302 460 V C 0.096 176.264 176.094 0.122 0.000 1.035 460 V CA -1.023 61.345 62.300 0.114 0.000 0.873 460 V CB 1.683 33.563 31.823 0.095 0.000 0.992 460 V HN 0.625 nan 8.190 nan 0.000 0.428 461 C N 4.266 123.636 119.300 0.117 0.000 2.637 461 C HA 0.179 4.636 4.460 -0.004 0.000 0.418 461 C C 1.617 176.655 174.990 0.081 0.000 1.319 461 C CA -0.014 59.064 59.018 0.099 0.000 1.949 461 C CB 0.155 27.947 27.740 0.087 0.000 2.639 461 C HN 1.014 nan 8.230 nan 0.000 0.594 462 Q N 3.483 123.326 119.800 0.072 0.000 2.415 462 Q HA 0.136 4.474 4.340 -0.004 0.000 0.206 462 Q C 1.134 177.164 176.000 0.050 0.000 0.946 462 Q CA 0.727 56.565 55.803 0.059 0.000 0.951 462 Q CB 0.214 28.985 28.738 0.055 0.000 1.026 462 Q HN 0.882 nan 8.270 nan 0.000 0.510 463 A N -0.380 122.471 122.820 0.052 0.000 2.733 463 A HA 0.167 4.484 4.320 -0.004 0.000 0.210 463 A C 1.132 178.742 177.584 0.044 0.000 2.062 463 A CA -0.092 51.971 52.037 0.044 0.000 1.765 463 A CB -0.725 18.299 19.000 0.041 0.000 1.287 463 A HN 0.340 nan 8.150 nan 0.000 0.395 464 C N 0.033 119.360 119.300 0.044 0.000 5.238 464 C HA 0.526 4.983 4.460 -0.004 0.000 0.153 464 C C 1.755 176.777 174.990 0.053 0.000 2.227 464 C CA 0.533 59.577 59.018 0.043 0.000 1.622 464 C CB -0.949 26.814 27.740 0.038 0.000 2.129 464 C HN 0.928 nan 8.230 nan 0.000 0.260 465 G N 1.943 110.776 108.800 0.055 0.000 2.138 465 G HA2 0.318 4.276 3.960 -0.004 0.000 0.256 465 G HA3 0.318 4.276 3.960 -0.004 0.000 0.256 465 G C -0.190 174.761 174.900 0.085 0.000 1.141 465 G CA 0.296 45.437 45.100 0.067 0.000 0.967 465 G HN 0.930 nan 8.290 nan 0.000 0.435 466 K N 1.450 121.910 120.400 0.100 0.000 2.450 466 K HA 0.653 4.971 4.320 -0.004 0.000 0.248 466 K C -0.143 176.554 176.600 0.162 0.000 1.056 466 K CA -0.955 55.405 56.287 0.122 0.000 0.974 466 K CB 1.030 33.601 32.500 0.119 0.000 1.334 466 K HN 0.436 nan 8.250 nan 0.000 0.516 467 E N 0.368 120.677 120.200 0.182 0.000 6.122 467 E HA -0.255 4.092 4.350 -0.004 0.000 0.406 467 E C -1.179 175.532 176.600 0.185 0.000 0.703 467 E CA 0.887 57.420 56.400 0.222 0.000 1.006 467 E CB -0.435 29.504 29.700 0.399 0.000 0.811 467 E HN 0.570 nan 8.360 nan 0.000 0.341 468 E N 0.525 120.722 120.200 -0.005 0.000 2.321 468 E HA 0.553 4.901 4.350 -0.004 0.000 0.281 468 E C -1.523 174.905 176.600 -0.286 0.000 0.910 468 E CA -0.367 55.998 56.400 -0.058 0.000 0.770 468 E CB 1.564 31.302 29.700 0.063 0.000 1.225 468 E HN 0.487 nan 8.360 nan 0.000 0.417 469 A N 3.664 126.215 122.820 -0.448 0.000 2.306 469 A HA 0.654 4.972 4.320 -0.004 0.000 0.314 469 A C -0.850 176.655 177.584 -0.131 0.000 1.164 469 A CA -0.469 51.315 52.037 -0.423 0.000 0.822 469 A CB 0.568 19.221 19.000 -0.579 0.000 1.130 469 A HN 0.475 nan 8.150 nan 0.000 0.496 470 I N 1.918 122.434 120.570 -0.090 0.000 2.378 470 I HA 0.479 4.646 4.170 -0.004 0.000 0.291 470 I C 1.171 177.354 176.117 0.111 0.000 0.992 470 I CA 0.356 61.662 61.300 0.011 0.000 1.154 470 I CB 2.039 40.035 38.000 -0.008 0.000 1.315 470 I HN 0.708 nan 8.210 nan 0.000 0.448 471 G N 3.708 112.626 108.800 0.196 0.000 3.126 471 G HA2 0.286 4.244 3.960 -0.004 0.000 0.224 471 G HA3 0.286 4.244 3.960 -0.004 0.000 0.224 471 G C 0.120 175.292 174.900 0.453 0.000 1.142 471 G CA 0.589 45.879 45.100 0.316 0.000 0.759 471 G HN 0.612 nan 8.290 nan 0.000 0.550 472 S N -1.603 114.316 115.700 0.365 0.000 2.625 472 S HA 0.562 5.030 4.470 -0.004 0.000 0.271 472 S C 0.069 174.746 174.600 0.128 0.000 1.161 472 S CA -0.652 57.664 58.200 0.194 0.000 0.820 472 S CB 0.791 64.193 63.200 0.336 0.000 1.137 472 S HN -0.170 nan 8.310 nan 0.000 0.470 473 F N 1.045 121.010 119.950 0.025 0.000 2.206 473 F HA 0.177 4.701 4.527 -0.004 0.000 0.298 473 F C 2.816 178.568 175.800 -0.079 0.000 1.090 473 F CA 1.282 59.245 58.000 -0.060 0.000 1.323 473 F CB -0.787 38.126 39.000 -0.144 0.000 1.028 473 F HN 0.806 nan 8.300 nan 0.000 0.492 474 Q N 0.550 120.430 119.800 0.133 0.000 2.170 474 Q HA -0.245 4.093 4.340 -0.004 0.000 0.203 474 Q C 2.178 178.206 176.000 0.047 0.000 0.976 474 Q CA 1.739 57.582 55.803 0.067 0.000 0.858 474 Q CB -0.166 28.616 28.738 0.073 0.000 0.907 474 Q HN 0.555 nan 8.270 nan 0.000 0.433 475 E N -0.011 120.236 120.200 0.077 0.000 2.150 475 E HA -0.178 4.170 4.350 -0.004 0.000 0.193 475 E C 1.981 178.569 176.600 -0.020 0.000 0.985 475 E CA 0.623 57.050 56.400 0.043 0.000 0.814 475 E CB -0.052 29.695 29.700 0.079 0.000 0.752 475 E HN 0.432 nan 8.360 nan 0.000 0.466 476 L N 0.581 121.796 121.223 -0.012 0.000 2.017 476 L HA -0.203 4.134 4.340 -0.004 0.000 0.208 476 L C 2.622 179.406 176.870 -0.143 0.000 1.073 476 L CA 1.173 55.939 54.840 -0.122 0.000 0.745 476 L CB -0.350 41.663 42.059 -0.077 0.000 0.894 476 L HN 0.136 nan 8.230 nan 0.000 0.432 477 K N 0.032 120.363 120.400 -0.114 0.000 2.015 477 K HA -0.238 4.079 4.320 -0.004 0.000 0.216 477 K C 1.999 178.551 176.600 -0.079 0.000 1.052 477 K CA 1.861 58.084 56.287 -0.108 0.000 0.937 477 K CB -0.615 31.837 32.500 -0.081 0.000 0.719 477 K HN 0.338 nan 8.250 nan 0.000 0.446 478 A N 1.363 124.149 122.820 -0.056 0.000 2.076 478 A HA -0.160 4.158 4.320 -0.004 0.000 0.220 478 A C 2.025 179.577 177.584 -0.054 0.000 1.160 478 A CA 1.341 53.353 52.037 -0.042 0.000 0.653 478 A CB -0.136 18.850 19.000 -0.022 0.000 0.801 478 A HN 0.174 nan 8.150 nan 0.000 0.455 479 R N -0.806 119.642 120.500 -0.086 0.000 2.225 479 R HA 0.285 4.622 4.340 -0.004 0.000 0.194 479 R C 0.978 177.207 176.300 -0.118 0.000 0.957 479 R CA 0.691 56.729 56.100 -0.104 0.000 1.042 479 R CB -0.978 29.234 30.300 -0.147 0.000 1.004 479 R HN 0.398 nan 8.270 nan 0.000 0.509 480 A N 1.755 124.494 122.820 -0.134 0.000 2.546 480 A HA 0.072 4.390 4.320 -0.004 0.000 0.243 480 A C 1.173 178.722 177.584 -0.058 0.000 1.063 480 A CA 0.439 52.409 52.037 -0.111 0.000 0.757 480 A CB 0.095 19.028 19.000 -0.112 0.000 0.991 480 A HN 0.383 nan 8.150 nan 0.000 0.503 481 T N -0.395 114.139 114.554 -0.033 0.000 3.160 481 T HA 0.199 4.546 4.350 -0.004 0.000 0.257 481 T C 0.351 175.050 174.700 -0.001 0.000 1.147 481 T CA 0.764 62.858 62.100 -0.010 0.000 1.064 481 T CB -0.516 68.356 68.868 0.007 0.000 0.949 481 T HN 0.627 nan 8.240 nan 0.000 0.526 482 K N 1.863 122.260 120.400 -0.005 0.000 2.571 482 K HA 0.352 4.670 4.320 -0.004 0.000 0.252 482 K C -2.978 173.617 176.600 -0.010 0.000 0.956 482 K CA -1.733 54.555 56.287 0.003 0.000 0.822 482 K CB 2.034 34.548 32.500 0.023 0.000 1.286 482 K HN -0.028 nan 8.250 nan 0.000 0.439 483 P HA -0.072 nan 4.420 nan 0.000 0.266 483 P C -0.485 176.799 177.300 -0.027 0.000 1.186 483 P CA 0.164 63.245 63.100 -0.032 0.000 0.767 483 P CB 0.614 32.300 31.700 -0.023 0.000 0.820 484 L N 3.153 124.336 121.223 -0.067 0.000 2.456 484 L HA 0.369 4.706 4.340 -0.004 0.000 0.257 484 L C -1.355 175.517 176.870 0.003 0.000 1.162 484 L CA -2.160 52.648 54.840 -0.053 0.000 0.808 484 L CB -0.340 41.564 42.059 -0.259 0.000 1.136 484 L HN 0.357 nan 8.230 nan 0.000 0.466 485 P HA 0.069 nan 4.420 nan 0.000 0.269 485 P C -0.045 177.275 177.300 0.033 0.000 1.209 485 P CA -0.258 62.875 63.100 0.055 0.000 0.776 485 P CB 0.895 32.632 31.700 0.060 0.000 0.876 486 E N 2.057 122.260 120.200 0.004 0.000 2.045 486 E HA -0.156 4.191 4.350 -0.004 0.000 0.212 486 E C -0.984 175.613 176.600 -0.004 0.000 1.039 486 E CA 1.218 57.613 56.400 -0.007 0.000 0.860 486 E CB -1.660 28.031 29.700 -0.014 0.000 0.776 486 E HN 0.608 nan 8.360 nan 0.000 0.467 487 P HA 0.123 nan 4.420 nan 0.000 0.291 487 P C -1.433 175.850 177.300 -0.028 0.000 1.378 487 P CA -0.283 62.797 63.100 -0.032 0.000 0.853 487 P CB 0.197 31.861 31.700 -0.061 0.000 1.002 488 F N 3.652 123.491 119.950 -0.185 0.000 2.421 488 F HA 0.279 4.803 4.527 -0.004 0.000 0.358 488 F C -0.007 175.655 175.800 -0.230 0.000 1.115 488 F CA -0.641 57.222 58.000 -0.228 0.000 1.160 488 F CB 0.594 39.407 39.000 -0.311 0.000 1.123 488 F HN 0.172 nan 8.300 nan 0.000 0.508 489 D N 8.612 128.552 120.400 -0.767 0.000 2.392 489 D HA 0.303 4.941 4.640 -0.004 0.000 0.228 489 D C -2.352 173.507 176.300 -0.734 0.000 1.074 489 D CA -2.442 51.249 54.000 -0.515 0.000 0.838 489 D CB 1.403 42.082 40.800 -0.202 0.000 1.067 489 D HN 0.255 nan 8.370 nan 0.000 0.511 490 P HA 0.110 nan 4.420 nan 0.000 0.226 490 P C -0.780 176.477 177.300 -0.072 0.000 1.758 490 P CA -0.135 62.717 63.100 -0.413 0.000 0.896 490 P CB -0.326 31.237 31.700 -0.227 0.000 1.784 491 H N -0.535 118.584 119.070 0.082 0.000 2.651 491 H HA 0.338 4.891 4.556 -0.004 0.000 0.353 491 H C 1.626 177.032 175.328 0.131 0.000 1.178 491 H CA -0.649 55.488 56.048 0.148 0.000 1.224 491 H CB 1.447 31.357 29.762 0.246 0.000 1.702 491 H HN -0.222 nan 8.280 nan 0.000 0.550 492 R N 1.704 122.361 120.500 0.260 0.000 2.234 492 R HA -0.170 4.168 4.340 -0.004 0.000 0.262 492 R C -1.199 175.141 176.300 0.067 0.000 1.150 492 R CA 2.563 58.757 56.100 0.156 0.000 0.981 492 R CB -1.273 29.155 30.300 0.215 0.000 0.899 492 R HN 0.565 nan 8.270 nan 0.000 0.458 493 P HA -0.073 nan 4.420 nan 0.000 0.217 493 P C 0.924 178.057 177.300 -0.278 0.000 1.153 493 P CA 1.305 64.246 63.100 -0.264 0.000 0.843 493 P CB -0.184 31.203 31.700 -0.523 0.000 0.794 494 Y N 0.810 121.184 120.300 0.124 0.000 2.337 494 Y HA -0.082 4.466 4.550 -0.004 0.000 0.293 494 Y C 2.536 178.550 175.900 0.190 0.000 1.123 494 Y CA 0.594 58.764 58.100 0.116 0.000 1.201 494 Y CB -1.460 37.023 38.460 0.037 0.000 1.011 494 Y HN -0.238 nan 8.280 nan 0.000 0.545 495 V N -2.125 117.981 119.914 0.321 0.000 2.759 495 V HA -0.190 3.927 4.120 -0.004 0.000 0.256 495 V C 1.124 177.423 176.094 0.341 0.000 1.080 495 V CA 1.752 64.308 62.300 0.427 0.000 1.101 495 V CB -0.477 31.610 31.823 0.440 0.000 0.698 495 V HN 0.286 nan 8.190 nan 0.000 0.477 496 D N 0.130 120.643 120.400 0.187 0.000 2.348 496 D HA -0.056 4.581 4.640 -0.004 0.000 0.216 496 D C 2.064 178.463 176.300 0.165 0.000 0.970 496 D CA 0.724 54.791 54.000 0.112 0.000 0.889 496 D CB -0.028 40.795 40.800 0.039 0.000 0.912 496 D HN 0.493 nan 8.370 nan 0.000 0.524 497 Q N 0.125 120.056 119.800 0.218 0.000 2.392 497 Q HA 0.102 4.440 4.340 -0.004 0.000 0.203 497 Q C 0.412 176.554 176.000 0.237 0.000 0.917 497 Q CA 0.072 55.997 55.803 0.202 0.000 0.939 497 Q CB 0.939 29.792 28.738 0.192 0.000 1.063 497 Q HN 0.136 nan 8.270 nan 0.000 0.516 498 V N 2.157 122.269 119.914 0.330 0.000 2.530 498 V HA 0.144 4.261 4.120 -0.004 0.000 0.282 498 V C 0.227 176.521 176.094 0.334 0.000 1.048 498 V CA -0.035 62.445 62.300 0.300 0.000 0.997 498 V CB 1.143 33.170 31.823 0.339 0.000 0.987 498 V HN 0.086 nan 8.190 nan 0.000 0.477 499 E N 3.992 124.295 120.200 0.172 0.000 2.266 499 E HA 0.637 4.984 4.350 -0.004 0.000 0.268 499 E C -1.153 175.446 176.600 -0.002 0.000 0.879 499 E CA -0.716 55.777 56.400 0.155 0.000 0.762 499 E CB 2.391 32.174 29.700 0.138 0.000 1.199 499 E HN 0.512 nan 8.360 nan 0.000 0.422 500 L N 0.818 122.015 121.223 -0.044 0.000 2.376 500 L HA 0.735 5.072 4.340 -0.004 0.000 0.267 500 L C -0.014 176.847 176.870 -0.015 0.000 1.035 500 L CA -1.210 53.564 54.840 -0.110 0.000 0.800 500 L CB 1.042 42.973 42.059 -0.215 0.000 1.290 500 L HN 0.490 nan 8.230 nan 0.000 0.462 501 A N 0.326 123.133 122.820 -0.022 0.000 2.260 501 A HA 0.382 4.699 4.320 -0.004 0.000 0.308 501 A C -0.405 177.189 177.584 0.016 0.000 1.254 501 A CA -0.382 51.658 52.037 0.005 0.000 0.874 501 A CB 0.713 19.712 19.000 -0.001 0.000 1.153 501 A HN 0.769 nan 8.150 nan 0.000 0.527 502 C N 3.312 122.633 119.300 0.035 0.000 2.585 502 C HA 0.480 4.938 4.460 -0.004 0.000 0.406 502 C C 1.953 176.964 174.990 0.036 0.000 1.312 502 C CA 0.216 59.260 59.018 0.044 0.000 1.924 502 C CB -0.426 27.348 27.740 0.057 0.000 2.578 502 C HN 1.150 nan 8.230 nan 0.000 0.580 503 A N 4.654 127.496 122.820 0.037 0.000 1.929 503 A HA -0.306 4.012 4.320 -0.004 0.000 0.221 503 A C 2.351 179.954 177.584 0.030 0.000 1.211 503 A CA 2.919 54.975 52.037 0.032 0.000 0.657 503 A CB -1.640 17.382 19.000 0.037 0.000 0.827 503 A HN 1.509 nan 8.150 nan 0.000 0.462 504 C N -2.938 116.383 119.300 0.035 0.000 2.398 504 C HA 0.291 4.748 4.460 -0.004 0.000 0.276 504 C C 2.370 177.377 174.990 0.028 0.000 1.222 504 C CA 1.092 60.129 59.018 0.032 0.000 1.746 504 C CB -1.226 26.536 27.740 0.035 0.000 2.039 504 C HN 1.635 nan 8.230 nan 0.000 0.470 505 G N -0.758 108.060 108.800 0.029 0.000 3.382 505 G HA2 0.242 4.200 3.960 -0.004 0.000 0.214 505 G HA3 0.242 4.200 3.960 -0.004 0.000 0.214 505 G C 0.715 175.632 174.900 0.029 0.000 1.025 505 G CA 0.338 45.454 45.100 0.026 0.000 0.869 505 G HN 0.979 nan 8.290 nan 0.000 0.458 506 G N 0.262 109.083 108.800 0.034 0.000 2.597 506 G HA2 0.507 4.464 3.960 -0.004 0.000 0.194 506 G HA3 0.507 4.464 3.960 -0.004 0.000 0.194 506 G C 0.558 175.484 174.900 0.044 0.000 1.625 506 G CA 2.023 47.146 45.100 0.039 0.000 1.050 506 G HN 1.552 nan 8.290 nan 0.000 0.531 507 T N -3.503 111.085 114.554 0.056 0.000 2.841 507 T HA 0.685 5.032 4.350 -0.004 0.000 0.296 507 T C -0.579 174.180 174.700 0.099 0.000 1.166 507 T CA -0.836 61.305 62.100 0.069 0.000 1.007 507 T CB 1.870 70.779 68.868 0.069 0.000 1.253 507 T HN 0.339 nan 8.240 nan 0.000 0.511 508 M N 1.396 121.079 119.600 0.138 0.000 2.465 508 M HA 0.590 5.067 4.480 -0.004 0.000 0.316 508 M C -0.401 176.110 176.300 0.352 0.000 1.121 508 M CA -0.899 54.534 55.300 0.222 0.000 0.934 508 M CB 2.299 35.053 32.600 0.257 0.000 1.692 508 M HN 0.392 nan 8.290 nan 0.000 0.444 509 R N 1.839 122.490 120.500 0.253 0.000 2.599 509 R HA 0.514 4.851 4.340 -0.004 0.000 0.295 509 R C -0.734 175.433 176.300 -0.222 0.000 0.963 509 R CA -0.805 55.375 56.100 0.133 0.000 0.883 509 R CB 2.218 32.550 30.300 0.052 0.000 1.171 509 R HN 0.796 nan 8.270 nan 0.000 0.450 510 R N 0.451 120.504 120.500 -0.745 0.000 2.582 510 R HA 0.307 4.644 4.340 -0.004 0.000 0.271 510 R C 0.592 176.549 176.300 -0.571 0.000 1.078 510 R CA -0.691 54.688 56.100 -1.202 0.000 1.127 510 R CB 0.336 29.438 30.300 -1.997 0.000 1.038 510 R HN 0.349 nan 8.270 nan 0.000 0.500 511 V N -1.047 118.584 119.914 -0.471 0.000 3.484 511 V HA 0.118 4.235 4.120 -0.004 0.000 0.304 511 V C -1.721 174.160 176.094 -0.354 0.000 1.116 511 V CA -1.033 61.115 62.300 -0.253 0.000 1.187 511 V CB 0.343 32.158 31.823 -0.013 0.000 1.062 511 V HN 0.962 nan 8.190 nan 0.000 0.489 512 P HA 0.166 nan 4.420 nan 0.000 0.261 512 P C -0.082 176.958 177.300 -0.433 0.000 1.268 512 P CA 0.057 62.892 63.100 -0.443 0.000 0.833 512 P CB -0.010 31.432 31.700 -0.430 0.000 1.231 513 Y N -0.391 119.808 120.300 -0.168 0.000 2.330 513 Y HA 0.233 4.780 4.550 -0.004 0.000 0.341 513 Y C 1.492 177.270 175.900 -0.204 0.000 1.278 513 Y CA -0.424 57.571 58.100 -0.174 0.000 1.453 513 Y CB 0.049 38.415 38.460 -0.157 0.000 1.342 513 Y HN -0.309 nan 8.280 nan 0.000 0.590 514 V N 1.837 121.754 119.914 0.006 0.000 3.234 514 V HA 0.407 4.525 4.120 -0.004 0.000 0.317 514 V C -0.466 175.581 176.094 -0.078 0.000 1.147 514 V CA -0.886 61.371 62.300 -0.071 0.000 1.037 514 V CB 2.143 33.919 31.823 -0.078 0.000 1.148 514 V HN 0.496 nan 8.190 nan 0.000 0.455 515 I N 0.818 121.331 120.570 -0.095 0.000 2.750 515 I HA 0.373 4.541 4.170 -0.004 0.000 0.308 515 I C -0.233 175.904 176.117 0.033 0.000 1.016 515 I CA -0.405 60.841 61.300 -0.091 0.000 1.098 515 I CB 1.573 39.474 38.000 -0.165 0.000 1.279 515 I HN 0.678 nan 8.210 nan 0.000 0.454 516 D N 3.142 123.611 120.400 0.115 0.000 2.488 516 D HA -0.054 4.583 4.640 -0.004 0.000 0.238 516 D C 1.026 177.543 176.300 0.362 0.000 1.138 516 D CA 0.494 54.683 54.000 0.315 0.000 0.873 516 D CB 1.109 42.239 40.800 0.551 0.000 1.183 516 D HN 0.308 nan 8.370 nan 0.000 0.458 517 V N 4.607 124.693 119.914 0.286 0.000 2.720 517 V HA -0.167 3.950 4.120 -0.004 0.000 0.256 517 V C 1.208 177.428 176.094 0.210 0.000 1.082 517 V CA 1.423 63.821 62.300 0.162 0.000 1.101 517 V CB -0.513 31.307 31.823 -0.005 0.000 0.693 517 V HN 0.678 nan 8.190 nan 0.000 0.479 518 W N -1.927 119.660 121.300 0.479 0.000 2.678 518 W HA 0.006 4.664 4.660 -0.003 0.000 0.256 518 W C 2.161 179.028 176.519 0.580 0.000 1.280 518 W CA 0.653 58.279 57.345 0.469 0.000 1.345 518 W CB -0.418 29.266 29.460 0.373 0.000 1.118 518 W HN 0.340 nan 8.180 nan 0.000 0.629 519 Y N 1.685 122.401 120.300 0.693 0.000 2.163 519 Y HA -0.250 4.297 4.550 -0.004 0.000 0.288 519 Y C 2.049 178.200 175.900 0.417 0.000 1.136 519 Y CA 2.062 60.468 58.100 0.509 0.000 1.147 519 Y CB -0.377 38.205 38.460 0.203 0.000 0.987 519 Y HN -0.220 nan 8.280 nan 0.000 0.509 520 D N -0.345 120.404 120.400 0.581 0.000 2.103 520 D HA -0.208 4.430 4.640 -0.004 0.000 0.190 520 D C 2.307 178.867 176.300 0.433 0.000 0.997 520 D CA 2.149 56.440 54.000 0.484 0.000 0.833 520 D CB -0.632 40.375 40.800 0.345 0.000 0.961 520 D HN 0.307 nan 8.370 nan 0.000 0.447 521 S N -0.185 115.747 115.700 0.387 0.000 2.419 521 S HA -0.092 4.375 4.470 -0.004 0.000 0.235 521 S C 2.010 176.992 174.600 0.637 0.000 1.019 521 S CA 1.123 59.581 58.200 0.430 0.000 0.982 521 S CB -0.459 62.978 63.200 0.395 0.000 0.789 521 S HN 0.430 nan 8.310 nan 0.000 0.490 522 G N 0.810 109.920 108.800 0.515 0.000 2.453 522 G HA2 0.211 4.169 3.960 -0.004 0.000 0.215 522 G HA3 0.211 4.169 3.960 -0.004 0.000 0.215 522 G C 1.261 176.309 174.900 0.246 0.000 1.147 522 G CA 0.435 45.764 45.100 0.382 0.000 0.802 522 G HN 0.572 nan 8.290 nan 0.000 0.535 523 A N 0.889 123.789 122.820 0.132 0.000 2.238 523 A HA 0.279 4.596 4.320 -0.004 0.000 0.208 523 A C 2.036 179.391 177.584 -0.382 0.000 1.177 523 A CA 0.949 52.947 52.037 -0.064 0.000 0.804 523 A CB -0.344 18.533 19.000 -0.205 0.000 0.823 523 A HN 0.324 nan 8.150 nan 0.000 0.482 524 M N 0.951 120.534 119.600 -0.028 0.000 2.108 524 M HA -0.147 4.330 4.480 -0.004 0.000 0.257 524 M C -1.113 174.968 176.300 -0.364 0.000 1.071 524 M CA 2.304 57.519 55.300 -0.142 0.000 1.093 524 M CB -1.779 30.895 32.600 0.123 0.000 1.345 524 M HN 0.134 nan 8.290 nan 0.000 0.403 525 P HA -0.173 nan 4.420 nan 0.000 0.216 525 P C 1.200 178.483 177.300 -0.028 0.000 1.150 525 P CA 1.848 64.889 63.100 -0.100 0.000 0.843 525 P CB -0.354 31.564 31.700 0.364 0.000 0.787 526 F N -3.600 116.161 119.950 -0.315 0.000 2.712 526 F HA 0.571 5.095 4.527 -0.005 0.000 0.297 526 F C 1.923 177.524 175.800 -0.332 0.000 1.114 526 F CA 0.181 57.837 58.000 -0.573 0.000 1.305 526 F CB -0.945 37.491 39.000 -0.940 0.000 1.086 526 F HN -0.251 nan 8.300 nan 0.000 0.599 527 A N 1.150 123.268 122.820 -1.169 0.000 2.016 527 A HA -0.037 4.280 4.320 -0.004 0.000 0.217 527 A C 2.226 179.335 177.584 -0.791 0.000 1.162 527 A CA 1.372 52.712 52.037 -1.161 0.000 0.662 527 A CB -1.173 16.636 19.000 -1.986 0.000 0.812 527 A HN 0.472 nan 8.150 nan 0.000 0.450 528 S N -0.522 114.812 115.700 -0.610 0.000 2.474 528 S HA 0.150 4.618 4.470 -0.004 0.000 0.235 528 S C 0.654 175.177 174.600 -0.129 0.000 0.997 528 S CA 0.292 58.300 58.200 -0.321 0.000 0.949 528 S CB -0.563 62.225 63.200 -0.686 0.000 0.766 528 S HN 0.402 nan 8.310 nan 0.000 0.517 529 L N 0.385 121.528 121.223 -0.133 0.000 2.331 529 L HA 0.403 4.741 4.340 -0.004 0.000 0.268 529 L C 0.917 177.861 176.870 0.124 0.000 1.015 529 L CA -0.804 54.008 54.840 -0.047 0.000 0.807 529 L CB 0.797 42.851 42.059 -0.009 0.000 1.293 529 L HN 0.213 nan 8.230 nan 0.000 0.451 530 H N 0.222 119.391 119.070 0.165 0.000 2.640 530 H HA -0.013 4.540 4.556 -0.004 0.000 0.312 530 H C 0.910 176.342 175.328 0.174 0.000 1.110 530 H CA -0.338 55.804 56.048 0.156 0.000 1.098 530 H CB 0.258 30.123 29.762 0.172 0.000 1.485 530 H HN 0.661 nan 8.280 nan 0.000 0.526 531 Y N 2.672 122.970 120.300 -0.004 0.000 1.788 531 Y HA -0.408 4.140 4.550 -0.004 0.000 0.174 531 Y C -0.851 174.807 175.900 -0.403 0.000 1.066 531 Y CA 2.964 60.945 58.100 -0.198 0.000 0.851 531 Y CB -1.774 36.460 38.460 -0.378 0.000 0.703 531 Y HN 0.367 nan 8.280 nan 0.000 0.602 532 P HA -0.262 nan 4.420 nan 0.000 0.217 532 P C 1.636 178.176 177.300 -1.266 0.000 1.158 532 P CA 2.788 64.703 63.100 -1.975 0.000 0.887 532 P CB -0.683 29.659 31.700 -2.264 0.000 0.792 533 F N -0.262 119.238 119.950 -0.751 0.000 2.558 533 F HA 0.081 4.606 4.527 -0.004 0.000 0.298 533 F C 1.451 177.049 175.800 -0.336 0.000 1.119 533 F CA 0.607 58.287 58.000 -0.533 0.000 1.451 533 F CB -0.315 38.281 39.000 -0.673 0.000 1.091 533 F HN 0.017 nan 8.300 nan 0.000 0.563 534 E N -2.926 117.200 120.200 -0.123 0.000 2.456 534 E HA 0.265 4.613 4.350 -0.004 0.000 0.278 534 E C -0.723 175.898 176.600 0.035 0.000 1.034 534 E CA -1.041 55.324 56.400 -0.058 0.000 0.846 534 E CB 0.826 30.542 29.700 0.026 0.000 1.460 534 E HN 0.040 nan 8.360 nan 0.000 0.463 535 H N 0.218 119.335 119.070 0.077 0.000 2.740 535 H HA -0.199 4.355 4.556 -0.004 0.000 0.306 535 H C 1.261 176.704 175.328 0.191 0.000 1.096 535 H CA 0.993 57.119 56.048 0.130 0.000 1.155 535 H CB -0.860 28.998 29.762 0.159 0.000 1.367 535 H HN 0.459 nan 8.280 nan 0.000 0.387 536 E N 1.309 121.624 120.200 0.191 0.000 2.169 536 E HA -0.287 4.060 4.350 -0.004 0.000 0.202 536 E C 2.018 178.779 176.600 0.268 0.000 1.016 536 E CA 1.988 58.541 56.400 0.255 0.000 0.817 536 E CB 0.131 29.871 29.700 0.068 0.000 0.736 536 E HN 0.876 nan 8.360 nan 0.000 0.462 537 E N 0.064 120.372 120.200 0.180 0.000 2.170 537 E HA -0.067 4.280 4.350 -0.004 0.000 0.191 537 E C 2.241 178.933 176.600 0.153 0.000 0.981 537 E CA 0.916 57.398 56.400 0.136 0.000 0.830 537 E CB -0.655 29.101 29.700 0.093 0.000 0.775 537 E HN 0.204 nan 8.360 nan 0.000 0.470 538 V N 0.894 120.942 119.914 0.224 0.000 2.591 538 V HA -0.130 3.987 4.120 -0.004 0.000 0.249 538 V C 2.256 178.467 176.094 0.194 0.000 1.053 538 V CA 1.410 63.834 62.300 0.208 0.000 1.068 538 V CB -0.949 31.023 31.823 0.249 0.000 0.689 538 V HN 0.113 nan 8.190 nan 0.000 0.462 539 F N 2.049 122.047 119.950 0.080 0.000 2.102 539 F HA -0.136 4.388 4.527 -0.004 0.000 0.298 539 F C 2.517 178.284 175.800 -0.055 0.000 1.105 539 F CA 1.617 59.589 58.000 -0.047 0.000 1.239 539 F CB -0.407 38.456 39.000 -0.228 0.000 0.991 539 F HN -0.019 nan 8.300 nan 0.000 0.474 540 R N 0.212 120.575 120.500 -0.229 0.000 2.193 540 R HA -0.125 4.213 4.340 -0.004 0.000 0.229 540 R C 1.675 177.860 176.300 -0.191 0.000 1.110 540 R CA 1.483 57.403 56.100 -0.301 0.000 0.988 540 R CB -0.445 29.799 30.300 -0.094 0.000 0.871 540 R HN 0.478 nan 8.270 nan 0.000 0.458 541 E N -0.359 119.790 120.200 -0.086 0.000 2.474 541 E HA 0.006 4.353 4.350 -0.004 0.000 0.195 541 E C 0.529 177.109 176.600 -0.032 0.000 1.039 541 E CA 0.460 56.841 56.400 -0.032 0.000 0.881 541 E CB 0.681 30.405 29.700 0.039 0.000 0.970 541 E HN 0.265 nan 8.360 nan 0.000 0.486 542 S N -0.943 114.728 115.700 -0.050 0.000 2.911 542 S HA 0.065 4.533 4.470 -0.004 0.000 0.261 542 S C 0.896 175.535 174.600 0.065 0.000 1.021 542 S CA -0.589 57.614 58.200 0.004 0.000 1.222 542 S CB -0.244 63.016 63.200 0.100 0.000 1.171 542 S HN 0.144 nan 8.310 nan 0.000 0.669 543 F N 4.380 124.154 119.950 -0.294 0.000 2.000 543 F HA 0.282 4.807 4.527 -0.004 0.000 0.295 543 F C -2.271 173.465 175.800 -0.107 0.000 1.159 543 F CA 0.389 58.229 58.000 -0.268 0.000 1.171 543 F CB -1.648 36.823 39.000 -0.882 0.000 0.971 543 F HN 0.025 nan 8.300 nan 0.000 0.479 544 P HA 0.194 nan 4.420 nan 0.000 0.266 544 P C -0.883 176.123 177.300 -0.489 0.000 1.215 544 P CA 0.172 62.835 63.100 -0.729 0.000 0.763 544 P CB 0.645 31.987 31.700 -0.597 0.000 0.806 545 A N 3.578 126.038 122.820 -0.600 0.000 2.327 545 A HA 0.127 4.444 4.320 -0.004 0.000 0.255 545 A C 1.062 178.353 177.584 -0.489 0.000 1.099 545 A CA 0.037 51.612 52.037 -0.769 0.000 0.801 545 A CB 0.126 18.349 19.000 -1.294 0.000 1.062 545 A HN 0.524 nan 8.150 nan 0.000 0.496 546 D N -1.465 118.643 120.400 -0.487 0.000 2.355 546 D HA 0.207 4.844 4.640 -0.004 0.000 0.206 546 D C -0.717 175.456 176.300 -0.212 0.000 1.010 546 D CA 1.069 54.844 54.000 -0.375 0.000 0.875 546 D CB 0.447 40.912 40.800 -0.558 0.000 0.966 546 D HN 0.400 nan 8.370 nan 0.000 0.512 547 F N 1.161 120.840 119.950 -0.452 0.000 2.665 547 F HA 0.365 4.889 4.527 -0.004 0.000 0.308 547 F C -1.859 173.777 175.800 -0.273 0.000 1.112 547 F CA -0.968 56.821 58.000 -0.352 0.000 0.972 547 F CB 1.536 40.432 39.000 -0.173 0.000 1.295 547 F HN -0.235 nan 8.300 nan 0.000 0.440 548 I N 2.009 121.908 120.570 -1.118 0.000 3.102 548 I HA 0.981 5.149 4.170 -0.004 0.000 0.310 548 I C -1.761 173.710 176.117 -1.076 0.000 1.246 548 I CA -1.214 59.618 61.300 -0.779 0.000 0.979 548 I CB 2.314 39.967 38.000 -0.577 0.000 1.267 548 I HN 0.888 nan 8.210 nan 0.000 0.451 549 A N 2.706 125.310 122.820 -0.360 0.000 2.626 549 A HA 0.681 4.999 4.320 -0.004 0.000 0.293 549 A C -1.037 176.721 177.584 0.290 0.000 1.111 549 A CA -0.496 51.468 52.037 -0.123 0.000 0.874 549 A CB 0.739 19.693 19.000 -0.077 0.000 1.451 549 A HN 0.702 nan 8.150 nan 0.000 0.396 550 E N 0.410 120.888 120.200 0.463 0.000 2.476 550 E HA 0.706 5.054 4.350 -0.004 0.000 0.246 550 E C 0.579 177.298 176.600 0.198 0.000 0.872 550 E CA -0.380 56.260 56.400 0.401 0.000 0.867 550 E CB 0.766 30.586 29.700 0.200 0.000 1.533 550 E HN 0.706 nan 8.360 nan 0.000 0.399 551 G N 0.261 108.964 108.800 -0.161 0.000 2.507 551 G HA2 0.266 4.224 3.960 -0.004 0.000 0.271 551 G HA3 0.266 4.224 3.960 -0.004 0.000 0.271 551 G C 0.798 175.549 174.900 -0.248 0.000 1.189 551 G CA -0.354 44.468 45.100 -0.462 0.000 0.859 551 G HN 0.400 nan 8.290 nan 0.000 0.542 552 I N 0.436 120.900 120.570 -0.176 0.000 2.236 552 I HA -0.239 3.929 4.170 -0.004 0.000 0.249 552 I C 2.366 178.418 176.117 -0.109 0.000 1.102 552 I CA 2.352 63.622 61.300 -0.049 0.000 1.365 552 I CB -0.093 37.893 38.000 -0.023 0.000 1.051 552 I HN 0.639 nan 8.210 nan 0.000 0.420 553 D N -0.561 119.753 120.400 -0.143 0.000 2.384 553 D HA -0.222 4.416 4.640 -0.004 0.000 0.222 553 D C 1.384 177.526 176.300 -0.264 0.000 0.976 553 D CA 0.588 54.496 54.000 -0.152 0.000 0.915 553 D CB -0.515 40.234 40.800 -0.085 0.000 0.896 553 D HN 0.464 nan 8.370 nan 0.000 0.523 554 Q N 0.427 119.981 119.800 -0.410 0.000 2.444 554 Q HA -0.002 4.336 4.340 -0.004 0.000 0.206 554 Q C 1.817 177.418 176.000 -0.664 0.000 0.948 554 Q CA 0.700 56.076 55.803 -0.711 0.000 0.946 554 Q CB -0.208 27.738 28.738 -1.320 0.000 1.027 554 Q HN 0.609 nan 8.270 nan 0.000 0.513 555 T N -2.421 111.945 114.554 -0.313 0.000 3.113 555 T HA 0.033 4.381 4.350 -0.004 0.000 0.263 555 T C 1.315 175.786 174.700 -0.381 0.000 1.143 555 T CA 0.426 62.439 62.100 -0.144 0.000 1.090 555 T CB 0.185 69.023 68.868 -0.049 0.000 0.922 555 T HN -0.007 nan 8.240 nan 0.000 0.521 556 R N 0.065 120.241 120.500 -0.541 0.000 2.565 556 R HA 0.457 4.794 4.340 -0.004 0.000 0.347 556 R C 1.214 176.939 176.300 -0.958 0.000 1.010 556 R CA 0.378 56.009 56.100 -0.782 0.000 1.126 556 R CB 0.913 30.834 30.300 -0.631 0.000 1.331 556 R HN 0.530 nan 8.270 nan 0.000 0.552 557 G N -0.775 107.474 108.800 -0.919 0.000 2.710 557 G HA2 -0.058 3.899 3.960 -0.004 0.000 0.198 557 G HA3 -0.058 3.899 3.960 -0.004 0.000 0.198 557 G C 0.356 174.881 174.900 -0.626 0.000 1.797 557 G CA -0.134 44.120 45.100 -1.411 0.000 0.759 557 G HN 0.229 nan 8.290 nan 0.000 0.808 558 W N 1.293 122.439 121.300 -0.257 0.000 2.379 558 W HA 0.162 4.819 4.660 -0.005 0.000 0.307 558 W C 2.419 178.973 176.519 0.058 0.000 1.200 558 W CA 1.205 58.589 57.345 0.064 0.000 1.297 558 W CB -0.650 28.883 29.460 0.122 0.000 1.140 558 W HN 0.229 nan 8.180 nan 0.000 0.507 559 F N 0.362 120.186 119.950 -0.210 0.000 2.120 559 F HA -0.364 4.160 4.527 -0.005 0.000 0.300 559 F C 2.630 178.307 175.800 -0.206 0.000 1.095 559 F CA 1.317 59.096 58.000 -0.367 0.000 1.249 559 F CB -0.971 37.864 39.000 -0.275 0.000 0.995 559 F HN 0.012 nan 8.300 nan 0.000 0.480 560 N N 0.737 119.393 118.700 -0.074 0.000 2.188 560 N HA -0.158 4.580 4.740 -0.004 0.000 0.184 560 N C 1.783 177.273 175.510 -0.033 0.000 1.018 560 N CA 1.661 54.675 53.050 -0.060 0.000 0.858 560 N CB -0.043 38.266 38.487 -0.296 0.000 0.989 560 N HN 0.272 nan 8.380 nan 0.000 0.426 561 S N 0.371 116.010 115.700 -0.101 0.000 2.470 561 S HA 0.076 4.543 4.470 -0.004 0.000 0.225 561 S C 2.243 176.950 174.600 0.180 0.000 1.006 561 S CA 0.001 58.235 58.200 0.057 0.000 0.934 561 S CB -0.270 63.076 63.200 0.242 0.000 0.778 561 S HN 0.216 nan 8.310 nan 0.000 0.517 562 L N 0.772 122.046 121.223 0.085 0.000 1.988 562 L HA -0.110 4.228 4.340 -0.004 0.000 0.207 562 L C 2.845 179.863 176.870 0.246 0.000 1.071 562 L CA 2.117 57.019 54.840 0.104 0.000 0.744 562 L CB -0.729 41.246 42.059 -0.139 0.000 0.893 562 L HN 0.379 nan 8.230 nan 0.000 0.433 563 H N -0.070 119.118 119.070 0.196 0.000 2.289 563 H HA -0.248 4.305 4.556 -0.004 0.000 0.296 563 H C 2.373 177.793 175.328 0.153 0.000 1.091 563 H CA 2.192 58.330 56.048 0.150 0.000 1.274 563 H CB 0.069 29.946 29.762 0.192 0.000 1.364 563 H HN 0.265 nan 8.280 nan 0.000 0.490 564 Q N -0.907 119.074 119.800 0.303 0.000 2.226 564 Q HA -0.119 4.219 4.340 -0.004 0.000 0.204 564 Q C 1.927 178.012 176.000 0.142 0.000 0.975 564 Q CA 1.137 57.082 55.803 0.237 0.000 0.866 564 Q CB 0.098 29.028 28.738 0.321 0.000 0.915 564 Q HN 0.363 nan 8.270 nan 0.000 0.440 565 L N -0.931 120.393 121.223 0.168 0.000 2.209 565 L HA 0.041 4.379 4.340 -0.004 0.000 0.207 565 L C 2.146 179.054 176.870 0.064 0.000 1.094 565 L CA 1.362 56.250 54.840 0.081 0.000 0.790 565 L CB -0.811 41.312 42.059 0.108 0.000 0.932 565 L HN 0.172 nan 8.230 nan 0.000 0.447 566 G N -1.108 107.819 108.800 0.212 0.000 2.421 566 G HA2 -0.167 3.791 3.960 -0.004 0.000 0.216 566 G HA3 -0.167 3.791 3.960 -0.004 0.000 0.216 566 G C 1.565 176.572 174.900 0.178 0.000 1.171 566 G CA 1.064 46.421 45.100 0.428 0.000 0.775 566 G HN 0.236 nan 8.290 nan 0.000 0.543 567 V N 0.817 120.703 119.914 -0.047 0.000 2.453 567 V HA -0.056 4.062 4.120 -0.004 0.000 0.247 567 V C 2.805 178.745 176.094 -0.257 0.000 1.048 567 V CA 1.679 63.905 62.300 -0.123 0.000 1.049 567 V CB -0.273 31.456 31.823 -0.157 0.000 0.672 567 V HN 0.345 nan 8.190 nan 0.000 0.457 568 M N -1.164 118.211 119.600 -0.375 0.000 2.349 568 M HA 0.037 4.515 4.480 -0.004 0.000 0.266 568 M C 1.881 177.926 176.300 -0.425 0.000 1.076 568 M CA 1.504 56.440 55.300 -0.607 0.000 1.126 568 M CB -0.012 32.259 32.600 -0.548 0.000 1.392 568 M HN 0.272 nan 8.290 nan 0.000 0.440 569 L N -2.022 118.910 121.223 -0.484 0.000 2.388 569 L HA 0.112 4.449 4.340 -0.004 0.000 0.209 569 L C 0.748 177.111 176.870 -0.844 0.000 1.061 569 L CA 0.594 54.957 54.840 -0.795 0.000 0.834 569 L CB 0.232 41.517 42.059 -1.290 0.000 1.029 569 L HN 0.189 nan 8.230 nan 0.000 0.473 570 F N -0.636 119.321 119.950 0.012 0.000 2.735 570 F HA 0.388 4.912 4.527 -0.004 0.000 0.308 570 F C 1.387 177.254 175.800 0.112 0.000 1.112 570 F CA -0.371 57.685 58.000 0.094 0.000 1.235 570 F CB 0.176 39.275 39.000 0.163 0.000 1.027 570 F HN 0.000 nan 8.300 nan 0.000 0.528 571 G N 1.959 110.831 108.800 0.121 0.000 2.424 571 G HA2 -0.177 3.780 3.960 -0.004 0.000 0.294 571 G HA3 -0.177 3.780 3.960 -0.004 0.000 0.294 571 G C 0.011 174.977 174.900 0.110 0.000 0.939 571 G CA 0.963 46.121 45.100 0.096 0.000 1.143 571 G HN 0.534 nan 8.290 nan 0.000 0.507 572 S N -1.197 114.581 115.700 0.129 0.000 2.550 572 S HA 0.694 5.162 4.470 -0.004 0.000 0.270 572 S C 0.356 174.893 174.600 -0.104 0.000 1.145 572 S CA -0.492 57.730 58.200 0.037 0.000 0.852 572 S CB 1.195 64.467 63.200 0.120 0.000 1.119 572 S HN 1.319 nan 8.310 nan 0.000 0.465 573 I N 1.452 121.864 120.570 -0.265 0.000 3.138 573 I HA 0.643 4.811 4.170 -0.004 0.000 0.288 573 I C 0.856 176.690 176.117 -0.472 0.000 1.148 573 I CA -0.071 60.974 61.300 -0.424 0.000 1.315 573 I CB 0.721 38.459 38.000 -0.436 0.000 1.426 573 I HN 0.661 nan 8.210 nan 0.000 0.615 574 A N 3.431 126.002 122.820 -0.415 0.000 2.390 574 A HA 0.449 4.766 4.320 -0.004 0.000 0.232 574 A C 0.148 177.658 177.584 -0.124 0.000 1.233 574 A CA -0.146 51.752 52.037 -0.231 0.000 0.907 574 A CB -0.264 18.902 19.000 0.278 0.000 0.967 574 A HN 0.801 nan 8.150 nan 0.000 0.512 575 F N -4.077 115.632 119.950 -0.402 0.000 2.672 575 F HA 0.552 5.077 4.527 -0.005 0.000 0.311 575 F C 0.090 175.626 175.800 -0.440 0.000 1.113 575 F CA -1.065 56.655 58.000 -0.467 0.000 0.996 575 F CB 0.917 39.608 39.000 -0.515 0.000 1.286 575 F HN -0.199 nan 8.300 nan 0.000 0.441 576 K N 0.844 121.074 120.400 -0.284 0.000 2.242 576 K HA 0.255 4.572 4.320 -0.004 0.000 0.200 576 K C -0.212 176.211 176.600 -0.295 0.000 1.050 576 K CA 0.506 56.617 56.287 -0.293 0.000 0.981 576 K CB 0.130 32.496 32.500 -0.223 0.000 0.795 576 K HN 0.614 nan 8.250 nan 0.000 0.477 577 N N 0.348 118.846 118.700 -0.336 0.000 2.357 577 N HA 0.399 5.137 4.740 -0.004 0.000 0.284 577 N C -1.509 173.608 175.510 -0.655 0.000 1.236 577 N CA -0.564 52.165 53.050 -0.536 0.000 0.774 577 N CB 3.042 41.072 38.487 -0.761 0.000 1.534 577 N HN -0.283 nan 8.380 nan 0.000 0.478 578 V N 0.990 120.410 119.914 -0.824 0.000 2.969 578 V HA 0.467 4.584 4.120 -0.004 0.000 0.304 578 V C -0.709 174.979 176.094 -0.676 0.000 1.192 578 V CA -0.703 61.046 62.300 -0.919 0.000 0.962 578 V CB 2.522 33.630 31.823 -1.192 0.000 1.045 578 V HN 0.588 nan 8.190 nan 0.000 0.428 579 I N 2.722 122.956 120.570 -0.561 0.000 2.355 579 I HA 0.375 4.542 4.170 -0.004 0.000 0.288 579 I C -0.549 175.515 176.117 -0.088 0.000 0.999 579 I CA -0.267 60.861 61.300 -0.286 0.000 1.163 579 I CB 1.515 39.360 38.000 -0.259 0.000 1.316 579 I HN 0.719 nan 8.210 nan 0.000 0.454 580 C N 8.691 128.000 119.300 0.015 0.000 2.206 580 C HA 0.406 4.863 4.460 -0.004 0.000 0.324 580 C C 0.331 175.405 174.990 0.141 0.000 1.120 580 C CA -0.433 58.691 59.018 0.178 0.000 1.546 580 C CB -1.065 26.819 27.740 0.240 0.000 2.023 580 C HN 0.728 nan 8.230 nan 0.000 0.448 581 H N 2.898 122.039 119.070 0.119 0.000 2.496 581 H HA 0.594 5.147 4.556 -0.004 0.000 0.342 581 H C 0.583 175.983 175.328 0.121 0.000 1.170 581 H CA -0.161 55.963 56.048 0.127 0.000 1.274 581 H CB 0.964 30.879 29.762 0.255 0.000 1.538 581 H HN 0.594 nan 8.280 nan 0.000 0.542 582 G N 0.624 109.520 108.800 0.160 0.000 2.447 582 G HA2 0.290 4.248 3.960 -0.004 0.000 0.269 582 G HA3 0.290 4.248 3.960 -0.004 0.000 0.269 582 G C -0.511 174.430 174.900 0.068 0.000 1.455 582 G CA -0.536 44.613 45.100 0.082 0.000 1.061 582 G HN 0.410 nan 8.290 nan 0.000 0.545 583 L N -0.625 120.637 121.223 0.066 0.000 2.330 583 L HA 0.432 4.769 4.340 -0.004 0.000 0.271 583 L C -0.022 176.891 176.870 0.071 0.000 1.013 583 L CA -0.768 54.105 54.840 0.055 0.000 0.816 583 L CB 1.963 44.038 42.059 0.026 0.000 1.287 583 L HN 0.221 nan 8.230 nan 0.000 0.435 584 I N 3.588 124.190 120.570 0.054 0.000 2.322 584 I HA 0.246 4.413 4.170 -0.004 0.000 0.292 584 I C 0.073 176.239 176.117 0.083 0.000 1.060 584 I CA 0.004 61.337 61.300 0.054 0.000 1.309 584 I CB 0.164 38.146 38.000 -0.031 0.000 1.415 584 I HN 0.369 nan 8.210 nan 0.000 0.492 585 L N 4.448 125.741 121.223 0.117 0.000 2.387 585 L HA 0.370 4.707 4.340 -0.004 0.000 0.266 585 L C 0.781 177.727 176.870 0.127 0.000 1.059 585 L CA -0.816 54.085 54.840 0.102 0.000 0.801 585 L CB 1.045 43.155 42.059 0.085 0.000 1.223 585 L HN 0.467 nan 8.230 nan 0.000 0.456 586 D N 0.359 120.811 120.400 0.086 0.000 2.335 586 D HA -0.125 4.513 4.640 -0.004 0.000 0.236 586 D C 0.710 177.046 176.300 0.060 0.000 1.297 586 D CA 0.407 54.448 54.000 0.069 0.000 0.906 586 D CB 0.746 41.570 40.800 0.041 0.000 1.164 586 D HN 0.571 nan 8.370 nan 0.000 0.469 587 E N -0.399 119.814 120.200 0.022 0.000 2.511 587 E HA -0.083 4.265 4.350 -0.004 0.000 0.196 587 E C 0.654 177.260 176.600 0.010 0.000 1.066 587 E CA 0.488 56.886 56.400 -0.003 0.000 0.871 587 E CB 0.263 29.932 29.700 -0.052 0.000 0.863 587 E HN 0.122 nan 8.360 nan 0.000 0.520 588 K N -1.786 118.625 120.400 0.019 0.000 2.402 588 K HA 0.235 4.552 4.320 -0.004 0.000 0.203 588 K C 0.636 177.253 176.600 0.027 0.000 1.077 588 K CA 0.582 56.880 56.287 0.019 0.000 1.051 588 K CB 1.658 34.166 32.500 0.013 0.000 0.907 588 K HN 0.139 nan 8.250 nan 0.000 0.554 589 G N 0.369 109.191 108.800 0.036 0.000 2.229 589 G HA2 -0.214 3.743 3.960 -0.004 0.000 0.189 589 G HA3 -0.214 3.743 3.960 -0.004 0.000 0.189 589 G C -0.233 174.688 174.900 0.036 0.000 1.000 589 G CA -0.479 44.644 45.100 0.039 0.000 0.663 589 G HN 0.229 nan 8.290 nan 0.000 0.493 590 Q N 0.404 120.223 119.800 0.032 0.000 2.260 590 Q HA 0.545 4.882 4.340 -0.004 0.000 0.238 590 Q C 0.373 176.390 176.000 0.029 0.000 0.948 590 Q CA -0.347 55.471 55.803 0.026 0.000 0.895 590 Q CB 1.375 30.125 28.738 0.020 0.000 1.218 590 Q HN 0.325 nan 8.270 nan 0.000 0.470 591 K N 1.067 121.479 120.400 0.021 0.000 2.138 591 K HA 0.224 4.542 4.320 -0.004 0.000 0.251 591 K C -0.582 176.024 176.600 0.010 0.000 1.015 591 K CA -0.074 56.222 56.287 0.016 0.000 0.917 591 K CB 0.639 33.143 32.500 0.008 0.000 1.021 591 K HN 0.504 nan 8.250 nan 0.000 0.485 592 M N 2.100 121.700 119.600 -0.000 0.000 2.157 592 M HA 0.175 4.653 4.480 -0.004 0.000 0.354 592 M C -0.577 175.705 176.300 -0.030 0.000 1.170 592 M CA -0.192 55.103 55.300 -0.009 0.000 1.060 592 M CB 1.782 34.377 32.600 -0.009 0.000 1.615 592 M HN 0.556 nan 8.290 nan 0.000 0.460 593 S N 1.407 117.093 115.700 -0.023 0.000 2.569 593 S HA 0.382 4.849 4.470 -0.004 0.000 0.280 593 S C 0.577 175.162 174.600 -0.026 0.000 1.111 593 S CA -0.898 57.284 58.200 -0.030 0.000 0.887 593 S CB 1.489 64.677 63.200 -0.020 0.000 1.095 593 S HN 0.839 nan 8.310 nan 0.000 0.476 594 K N 1.378 121.760 120.400 -0.031 0.000 2.147 594 K HA -0.065 4.253 4.320 -0.004 0.000 0.205 594 K C 1.745 178.335 176.600 -0.016 0.000 1.049 594 K CA 2.041 58.313 56.287 -0.025 0.000 0.936 594 K CB -0.419 32.064 32.500 -0.028 0.000 0.722 594 K HN 0.496 nan 8.250 nan 0.000 0.446 595 S N 1.392 117.083 115.700 -0.015 0.000 2.336 595 S HA 0.005 4.472 4.470 -0.004 0.000 0.216 595 S C 1.852 176.448 174.600 -0.007 0.000 1.032 595 S CA 0.151 58.345 58.200 -0.011 0.000 0.973 595 S CB -0.174 63.020 63.200 -0.010 0.000 0.888 595 S HN 0.113 nan 8.310 nan 0.000 0.455 596 K N 1.645 122.041 120.400 -0.006 0.000 2.374 596 K HA -0.072 4.246 4.320 -0.004 0.000 0.202 596 K C 1.371 177.970 176.600 -0.001 0.000 1.044 596 K CA 0.861 57.147 56.287 -0.003 0.000 0.933 596 K CB -1.477 31.023 32.500 -0.001 0.000 0.745 596 K HN 0.788 nan 8.250 nan 0.000 0.474 597 G N 2.934 111.732 108.800 -0.002 0.000 2.338 597 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.296 597 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.296 597 G C 0.219 175.121 174.900 0.003 0.000 1.040 597 G CA 0.727 45.827 45.100 -0.000 0.000 1.004 597 G HN 0.511 nan 8.290 nan 0.000 0.509 598 N N -1.742 116.962 118.700 0.006 0.000 2.118 598 N HA 0.093 4.830 4.740 -0.004 0.000 0.226 598 N C 0.724 176.247 175.510 0.022 0.000 1.305 598 N CA 0.611 53.668 53.050 0.012 0.000 0.890 598 N CB -0.137 38.357 38.487 0.012 0.000 1.118 598 N HN 0.968 nan 8.380 nan 0.000 0.511 599 V N -0.477 119.448 119.914 0.018 0.000 3.032 599 V HA 0.353 4.470 4.120 -0.004 0.000 0.307 599 V C 0.281 176.408 176.094 0.055 0.000 1.097 599 V CA -0.537 61.780 62.300 0.029 0.000 1.191 599 V CB 0.808 32.637 31.823 0.010 0.000 0.964 599 V HN -0.067 nan 8.190 nan 0.000 0.494 600 V N 3.260 123.231 119.914 0.094 0.000 2.482 600 V HA 0.360 4.478 4.120 -0.004 0.000 0.295 600 V C -0.350 175.840 176.094 0.160 0.000 1.026 600 V CA -0.426 61.954 62.300 0.134 0.000 0.856 600 V CB 1.331 33.275 31.823 0.201 0.000 1.001 600 V HN 1.078 nan 8.190 nan 0.000 0.424 601 D N 7.722 128.204 120.400 0.137 0.000 2.317 601 D HA 0.225 4.863 4.640 -0.004 0.000 0.252 601 D C -1.214 175.196 176.300 0.185 0.000 1.174 601 D CA -1.700 52.387 54.000 0.145 0.000 0.866 601 D CB 2.489 43.379 40.800 0.151 0.000 1.127 601 D HN 0.226 nan 8.370 nan 0.000 0.467 602 P HA -0.218 nan 4.420 nan 0.000 0.219 602 P C 1.266 178.619 177.300 0.089 0.000 1.158 602 P CA 1.446 64.605 63.100 0.099 0.000 0.895 602 P CB -0.141 31.560 31.700 0.003 0.000 0.792 603 W N 0.796 122.169 121.300 0.121 0.000 2.305 603 W HA -0.181 4.476 4.660 -0.004 0.000 0.308 603 W C 2.427 178.997 176.519 0.085 0.000 1.226 603 W CA 1.462 58.868 57.345 0.102 0.000 1.253 603 W CB -1.195 28.304 29.460 0.065 0.000 1.146 603 W HN 0.014 nan 8.180 nan 0.000 0.507 604 D N -0.009 120.564 120.400 0.289 0.000 2.092 604 D HA -0.202 4.436 4.640 -0.004 0.000 0.193 604 D C 2.085 178.490 176.300 0.175 0.000 0.994 604 D CA 1.648 55.761 54.000 0.188 0.000 0.828 604 D CB -0.437 40.443 40.800 0.132 0.000 0.963 604 D HN 0.036 nan 8.370 nan 0.000 0.450 605 I N 1.242 121.919 120.570 0.178 0.000 2.226 605 I HA -0.200 3.968 4.170 -0.004 0.000 0.245 605 I C 2.615 178.861 176.117 0.215 0.000 1.100 605 I CA 0.672 62.095 61.300 0.204 0.000 1.374 605 I CB -0.892 37.206 38.000 0.164 0.000 1.057 605 I HN 0.056 nan 8.210 nan 0.000 0.413 606 I N 1.167 121.820 120.570 0.138 0.000 2.163 606 I HA -0.310 3.858 4.170 -0.004 0.000 0.243 606 I C 2.619 178.796 176.117 0.100 0.000 1.085 606 I CA 1.435 62.779 61.300 0.074 0.000 1.347 606 I CB -0.368 37.593 38.000 -0.066 0.000 1.044 606 I HN 0.321 nan 8.210 nan 0.000 0.408 607 R N 0.912 121.498 120.500 0.143 0.000 2.299 607 R HA -0.014 4.323 4.340 -0.004 0.000 0.197 607 R C 1.656 177.947 176.300 -0.015 0.000 0.971 607 R CA 0.580 56.734 56.100 0.089 0.000 1.030 607 R CB -0.176 30.199 30.300 0.126 0.000 0.932 607 R HN 0.341 nan 8.270 nan 0.000 0.477 608 K N -0.131 120.239 120.400 -0.050 0.000 2.244 608 K HA 0.152 4.469 4.320 -0.004 0.000 0.200 608 K C 0.633 176.864 176.600 -0.615 0.000 1.052 608 K CA 0.799 56.875 56.287 -0.351 0.000 0.980 608 K CB 0.310 32.550 32.500 -0.434 0.000 0.838 608 K HN 0.138 nan 8.250 nan 0.000 0.481 609 F N -0.224 119.704 119.950 -0.036 0.000 2.789 609 F HA 0.299 4.824 4.527 -0.004 0.000 0.320 609 F C 0.728 176.488 175.800 -0.067 0.000 1.079 609 F CA 0.028 57.986 58.000 -0.070 0.000 1.205 609 F CB 1.216 40.116 39.000 -0.167 0.000 1.046 609 F HN 0.056 nan 8.300 nan 0.000 0.586 610 G N 0.703 109.575 108.800 0.120 0.000 2.662 610 G HA2 0.135 4.092 3.960 -0.004 0.000 0.686 610 G HA3 0.135 4.092 3.960 -0.004 0.000 0.686 610 G C 0.628 175.550 174.900 0.037 0.000 1.271 610 G CA -0.497 44.629 45.100 0.044 0.000 0.816 610 G HN 0.442 nan 8.290 nan 0.000 0.608 611 A N -0.506 122.309 122.820 -0.008 0.000 1.972 611 A HA 0.060 4.377 4.320 -0.004 0.000 0.219 611 A C 2.007 179.701 177.584 0.182 0.000 1.169 611 A CA 2.548 54.623 52.037 0.064 0.000 0.635 611 A CB -0.359 18.702 19.000 0.102 0.000 0.810 611 A HN 0.726 nan 8.150 nan 0.000 0.446 612 D N 0.161 120.717 120.400 0.260 0.000 2.117 612 D HA -0.039 4.598 4.640 -0.004 0.000 0.198 612 D C 2.277 178.759 176.300 0.303 0.000 0.982 612 D CA 1.474 55.691 54.000 0.361 0.000 0.828 612 D CB -0.459 40.618 40.800 0.463 0.000 0.967 612 D HN 0.399 nan 8.370 nan 0.000 0.464 613 A N 0.746 123.599 122.820 0.056 0.000 1.940 613 A HA -0.179 4.138 4.320 -0.004 0.000 0.219 613 A C 2.163 179.791 177.584 0.074 0.000 1.176 613 A CA 1.148 53.106 52.037 -0.131 0.000 0.631 613 A CB -0.739 18.075 19.000 -0.310 0.000 0.814 613 A HN 0.252 nan 8.150 nan 0.000 0.446 614 L N -0.225 121.051 121.223 0.088 0.000 1.961 614 L HA -0.170 4.168 4.340 -0.004 0.000 0.210 614 L C 2.533 179.429 176.870 0.044 0.000 1.072 614 L CA 2.192 57.100 54.840 0.112 0.000 0.749 614 L CB -0.635 41.468 42.059 0.073 0.000 0.889 614 L HN 0.363 nan 8.230 nan 0.000 0.432 615 R N -1.124 119.375 120.500 -0.002 0.000 2.112 615 R HA -0.282 4.055 4.340 -0.004 0.000 0.242 615 R C 2.249 178.344 176.300 -0.342 0.000 1.137 615 R CA 2.343 58.306 56.100 -0.230 0.000 0.944 615 R CB -1.025 29.302 30.300 0.043 0.000 0.857 615 R HN 0.646 nan 8.270 nan 0.000 0.435 616 W N 0.574 121.854 121.300 -0.033 0.000 2.318 616 W HA -0.317 4.341 4.660 -0.003 0.000 0.313 616 W C 2.046 178.578 176.519 0.021 0.000 1.221 616 W CA 1.484 58.905 57.345 0.127 0.000 1.266 616 W CB -0.474 29.200 29.460 0.356 0.000 1.150 616 W HN 0.128 nan 8.180 nan 0.000 0.496 617 Y N 1.340 121.638 120.300 -0.003 0.000 2.053 617 Y HA -0.340 4.207 4.550 -0.004 0.000 0.277 617 Y C 2.517 178.314 175.900 -0.172 0.000 1.159 617 Y CA 2.502 60.551 58.100 -0.086 0.000 1.125 617 Y CB -1.067 37.404 38.460 0.019 0.000 0.969 617 Y HN -0.187 nan 8.280 nan 0.000 0.492 618 I N -0.309 120.104 120.570 -0.262 0.000 2.185 618 I HA -0.400 3.767 4.170 -0.004 0.000 0.246 618 I C 2.265 178.203 176.117 -0.299 0.000 1.088 618 I CA 1.820 62.903 61.300 -0.361 0.000 1.347 618 I CB -1.786 35.918 38.000 -0.493 0.000 1.041 618 I HN 0.381 nan 8.210 nan 0.000 0.415 619 Y N 0.139 120.303 120.300 -0.227 0.000 2.153 619 Y HA -0.125 4.422 4.550 -0.005 0.000 0.289 619 Y C 2.689 178.346 175.900 -0.406 0.000 1.127 619 Y CA 0.588 58.541 58.100 -0.245 0.000 1.131 619 Y CB -0.539 37.745 38.460 -0.293 0.000 0.995 619 Y HN -0.134 nan 8.280 nan 0.000 0.505 620 V N -0.991 118.620 119.914 -0.505 0.000 2.591 620 V HA -0.208 3.910 4.120 -0.004 0.000 0.249 620 V C 2.125 177.995 176.094 -0.374 0.000 1.053 620 V CA 1.423 63.416 62.300 -0.512 0.000 1.068 620 V CB -0.588 30.804 31.823 -0.717 0.000 0.689 620 V HN 0.321 nan 8.190 nan 0.000 0.462 621 S N 0.036 115.422 115.700 -0.524 0.000 2.401 621 S HA -0.102 4.366 4.470 -0.004 0.000 0.236 621 S C 0.806 175.254 174.600 -0.253 0.000 1.058 621 S CA 1.873 59.742 58.200 -0.552 0.000 1.151 621 S CB -0.251 62.435 63.200 -0.857 0.000 1.049 621 S HN 0.895 nan 8.310 nan 0.000 0.432 622 A N -0.450 122.262 122.820 -0.181 0.000 2.511 622 A HA 0.642 4.959 4.320 -0.004 0.000 0.293 622 A C -3.196 174.373 177.584 -0.024 0.000 1.098 622 A CA -1.360 50.631 52.037 -0.077 0.000 0.643 622 A CB -0.038 18.938 19.000 -0.040 0.000 1.302 622 A HN 0.097 nan 8.150 nan 0.000 0.446 623 P HA 0.206 nan 4.420 nan 0.000 0.270 623 P C -1.947 175.396 177.300 0.072 0.000 1.227 623 P CA -0.592 62.529 63.100 0.034 0.000 0.788 623 P CB 0.184 31.903 31.700 0.032 0.000 0.926 624 P HA -0.208 nan 4.420 nan 0.000 0.215 624 P C 1.070 178.458 177.300 0.147 0.000 1.153 624 P CA 1.622 64.788 63.100 0.110 0.000 0.853 624 P CB -0.067 31.574 31.700 -0.098 0.000 0.788 625 E N 0.515 120.769 120.200 0.091 0.000 2.033 625 E HA -0.100 4.248 4.350 -0.004 0.000 0.199 625 E C 1.272 177.939 176.600 0.112 0.000 1.011 625 E CA 1.091 57.551 56.400 0.101 0.000 0.815 625 E CB -1.519 28.237 29.700 0.094 0.000 0.755 625 E HN 0.180 nan 8.360 nan 0.000 0.451 626 A N 1.208 124.086 122.820 0.096 0.000 2.641 626 A HA -0.057 4.260 4.320 -0.004 0.000 0.239 626 A C -0.240 177.398 177.584 0.089 0.000 1.123 626 A CA 0.601 52.687 52.037 0.082 0.000 0.822 626 A CB -0.109 18.927 19.000 0.061 0.000 1.050 626 A HN 0.125 nan 8.150 nan 0.000 0.520 627 D N -0.176 120.269 120.400 0.074 0.000 2.248 627 D HA 0.586 5.224 4.640 -0.004 0.000 0.246 627 D C 0.203 176.551 176.300 0.079 0.000 1.027 627 D CA -0.279 53.767 54.000 0.077 0.000 0.853 627 D CB 1.050 41.887 40.800 0.062 0.000 1.243 627 D HN 0.597 nan 8.370 nan 0.000 0.462 628 R N 0.806 121.365 120.500 0.098 0.000 2.795 628 R HA 0.686 5.023 4.340 -0.004 0.000 0.275 628 R C -0.869 175.538 176.300 0.179 0.000 0.981 628 R CA -1.057 55.116 56.100 0.121 0.000 0.917 628 R CB 1.150 31.511 30.300 0.102 0.000 1.202 628 R HN 0.146 nan 8.270 nan 0.000 0.469 629 R N 0.927 121.544 120.500 0.196 0.000 2.340 629 R HA 0.316 4.653 4.340 -0.004 0.000 0.300 629 R C -1.030 175.463 176.300 0.321 0.000 1.069 629 R CA -0.001 56.217 56.100 0.197 0.000 0.984 629 R CB 0.302 30.679 30.300 0.128 0.000 1.003 629 R HN 0.538 nan 8.270 nan 0.000 0.459 630 F N 1.684 121.676 119.950 0.070 0.000 2.507 630 F HA 0.717 5.241 4.527 -0.005 0.000 0.328 630 F C -0.199 175.553 175.800 -0.079 0.000 1.136 630 F CA -0.380 57.623 58.000 0.006 0.000 0.930 630 F CB 1.925 40.958 39.000 0.054 0.000 1.166 630 F HN 0.555 nan 8.300 nan 0.000 0.436 631 G N 6.100 114.443 108.800 -0.761 0.000 2.667 631 G HA2 0.349 4.307 3.960 -0.004 0.000 0.294 631 G HA3 0.349 4.307 3.960 -0.004 0.000 0.294 631 G C -2.751 171.753 174.900 -0.660 0.000 1.467 631 G CA -1.086 43.659 45.100 -0.591 0.000 0.852 631 G HN 0.293 nan 8.290 nan 0.000 0.521 632 P HA -0.237 nan 4.420 nan 0.000 0.217 632 P C 1.217 178.322 177.300 -0.325 0.000 1.162 632 P CA 1.640 64.538 63.100 -0.336 0.000 0.901 632 P CB 0.225 31.880 31.700 -0.075 0.000 0.793 633 N N -0.410 118.165 118.700 -0.208 0.000 2.104 633 N HA -0.135 4.603 4.740 -0.004 0.000 0.190 633 N C 1.806 177.184 175.510 -0.219 0.000 1.024 633 N CA 0.771 53.733 53.050 -0.146 0.000 0.853 633 N CB -1.127 37.308 38.487 -0.087 0.000 1.008 633 N HN 0.041 nan 8.380 nan 0.000 0.424 634 L N 0.416 121.463 121.223 -0.293 0.000 2.046 634 L HA -0.052 4.285 4.340 -0.004 0.000 0.208 634 L C 1.866 178.456 176.870 -0.466 0.000 1.077 634 L CA 1.160 55.823 54.840 -0.295 0.000 0.747 634 L CB -0.534 41.356 42.059 -0.281 0.000 0.896 634 L HN 0.020 nan 8.230 nan 0.000 0.432 635 V N -0.339 119.107 119.914 -0.780 0.000 2.261 635 V HA -0.309 3.809 4.120 -0.004 0.000 0.246 635 V C 2.688 178.375 176.094 -0.678 0.000 1.047 635 V CA 2.013 63.782 62.300 -0.886 0.000 1.015 635 V CB -0.728 30.451 31.823 -1.074 0.000 0.642 635 V HN 0.500 nan 8.190 nan 0.000 0.446 636 R N 0.013 120.053 120.500 -0.768 0.000 2.154 636 R HA -0.284 4.053 4.340 -0.004 0.000 0.248 636 R C 2.209 178.446 176.300 -0.104 0.000 1.155 636 R CA 2.145 58.021 56.100 -0.374 0.000 0.979 636 R CB -0.206 30.113 30.300 0.031 0.000 0.869 636 R HN 0.564 nan 8.270 nan 0.000 0.452 637 E N -0.268 119.871 120.200 -0.101 0.000 2.077 637 E HA -0.145 4.202 4.350 -0.004 0.000 0.193 637 E C 1.797 178.441 176.600 0.073 0.000 0.989 637 E CA 2.146 58.551 56.400 0.008 0.000 0.800 637 E CB -0.088 29.620 29.700 0.014 0.000 0.746 637 E HN 0.560 nan 8.360 nan 0.000 0.452 638 T N -2.535 112.070 114.554 0.085 0.000 2.951 638 T HA -0.040 4.308 4.350 -0.004 0.000 0.268 638 T C 1.941 176.793 174.700 0.254 0.000 1.073 638 T CA 0.948 63.184 62.100 0.227 0.000 1.134 638 T CB -0.432 68.640 68.868 0.340 0.000 0.884 638 T HN -0.005 nan 8.240 nan 0.000 0.479 639 V N 1.776 121.725 119.914 0.059 0.000 2.407 639 V HA -0.095 4.022 4.120 -0.004 0.000 0.248 639 V C 2.900 179.115 176.094 0.202 0.000 1.055 639 V CA 1.703 64.002 62.300 -0.001 0.000 1.049 639 V CB -0.681 31.087 31.823 -0.091 0.000 0.662 639 V HN 0.468 nan 8.190 nan 0.000 0.455 640 R N -0.229 120.376 120.500 0.174 0.000 2.193 640 R HA -0.103 4.234 4.340 -0.004 0.000 0.213 640 R C 1.928 178.348 176.300 0.200 0.000 1.055 640 R CA 1.367 57.574 56.100 0.178 0.000 0.995 640 R CB -0.195 30.185 30.300 0.133 0.000 0.893 640 R HN 0.572 nan 8.270 nan 0.000 0.459 641 D N -0.687 119.858 120.400 0.241 0.000 2.201 641 D HA -0.132 4.505 4.640 -0.004 0.000 0.209 641 D C 1.342 177.843 176.300 0.334 0.000 0.961 641 D CA 0.840 54.994 54.000 0.258 0.000 0.861 641 D CB 0.194 41.148 40.800 0.256 0.000 0.997 641 D HN 0.102 nan 8.370 nan 0.000 0.486 642 Y N -0.835 119.621 120.300 0.260 0.000 2.333 642 Y HA 0.144 4.691 4.550 -0.004 0.000 0.287 642 Y C 1.641 177.612 175.900 0.118 0.000 1.149 642 Y CA 0.659 58.867 58.100 0.179 0.000 1.193 642 Y CB -0.571 38.000 38.460 0.185 0.000 1.175 642 Y HN -0.146 nan 8.280 nan 0.000 0.518 643 F N 0.771 120.650 119.950 -0.117 0.000 2.126 643 F HA -0.239 4.285 4.527 -0.004 0.000 0.299 643 F C 2.274 178.125 175.800 0.085 0.000 1.096 643 F CA 1.667 59.560 58.000 -0.178 0.000 1.255 643 F CB -0.988 37.861 39.000 -0.251 0.000 0.997 643 F HN 0.067 nan 8.300 nan 0.000 0.479 644 L N -1.310 120.108 121.223 0.326 0.000 2.156 644 L HA -0.147 4.191 4.340 -0.004 0.000 0.208 644 L C 2.294 179.299 176.870 0.225 0.000 1.095 644 L CA 1.324 56.338 54.840 0.290 0.000 0.770 644 L CB -1.075 41.120 42.059 0.226 0.000 0.914 644 L HN 0.127 nan 8.230 nan 0.000 0.439 645 T N 0.411 115.053 114.554 0.146 0.000 2.777 645 T HA -0.159 4.188 4.350 -0.004 0.000 0.266 645 T C 1.831 176.560 174.700 0.049 0.000 1.040 645 T CA 1.188 63.343 62.100 0.091 0.000 1.141 645 T CB -0.130 68.786 68.868 0.080 0.000 0.868 645 T HN 0.123 nan 8.240 nan 0.000 0.444 646 L N 0.258 121.454 121.223 -0.045 0.000 2.027 646 L HA 0.062 4.399 4.340 -0.004 0.000 0.206 646 L C 2.174 179.111 176.870 0.111 0.000 1.074 646 L CA 1.618 56.397 54.840 -0.102 0.000 0.745 646 L CB -0.676 41.133 42.059 -0.417 0.000 0.898 646 L HN 0.426 nan 8.230 nan 0.000 0.433 647 W N 0.773 122.101 121.300 0.045 0.000 2.355 647 W HA -0.295 4.363 4.660 -0.004 0.000 0.309 647 W C 2.531 179.151 176.519 0.168 0.000 1.206 647 W CA 1.965 59.428 57.345 0.198 0.000 1.284 647 W CB -0.413 29.173 29.460 0.210 0.000 1.145 647 W HN 0.519 nan 8.180 nan 0.000 0.502 648 N N 1.071 119.946 118.700 0.293 0.000 2.043 648 N HA -0.217 4.521 4.740 -0.004 0.000 0.193 648 N C 1.823 177.389 175.510 0.094 0.000 1.037 648 N CA 2.493 55.639 53.050 0.161 0.000 0.851 648 N CB -1.003 37.560 38.487 0.128 0.000 1.027 648 N HN 0.147 nan 8.380 nan 0.000 0.422 649 V N 0.739 120.698 119.914 0.076 0.000 2.407 649 V HA -0.210 3.907 4.120 -0.004 0.000 0.248 649 V C 2.319 178.502 176.094 0.148 0.000 1.055 649 V CA 2.019 64.363 62.300 0.072 0.000 1.049 649 V CB -1.049 30.782 31.823 0.013 0.000 0.662 649 V HN 0.476 nan 8.190 nan 0.000 0.455 650 Y N 1.256 121.508 120.300 -0.080 0.000 2.145 650 Y HA -0.168 4.380 4.550 -0.004 0.000 0.286 650 Y C 2.871 178.683 175.900 -0.146 0.000 1.145 650 Y CA 2.162 60.161 58.100 -0.168 0.000 1.148 650 Y CB -1.027 37.228 38.460 -0.341 0.000 0.981 650 Y HN 0.346 nan 8.280 nan 0.000 0.507 651 S N -0.229 115.251 115.700 -0.366 0.000 2.382 651 S HA -0.219 4.248 4.470 -0.004 0.000 0.228 651 S C 2.024 176.561 174.600 -0.104 0.000 1.027 651 S CA 1.251 59.205 58.200 -0.411 0.000 0.991 651 S CB -1.041 62.009 63.200 -0.249 0.000 0.823 651 S HN 0.555 nan 8.310 nan 0.000 0.469 652 F N 1.563 121.456 119.950 -0.095 0.000 2.069 652 F HA -0.063 4.461 4.527 -0.004 0.000 0.298 652 F C 1.750 177.585 175.800 0.058 0.000 1.113 652 F CA 1.824 59.819 58.000 -0.008 0.000 1.214 652 F CB -1.067 37.872 39.000 -0.102 0.000 0.978 652 F HN 0.353 nan 8.300 nan 0.000 0.474 653 F N 0.697 120.540 119.950 -0.178 0.000 2.025 653 F HA -0.254 4.270 4.527 -0.004 0.000 0.297 653 F C 2.325 178.053 175.800 -0.119 0.000 1.132 653 F CA 2.363 60.244 58.000 -0.198 0.000 1.191 653 F CB -1.112 37.855 39.000 -0.054 0.000 0.963 653 F HN -0.148 nan 8.300 nan 0.000 0.481 654 V N 0.031 119.851 119.914 -0.157 0.000 2.278 654 V HA -0.412 3.705 4.120 -0.004 0.000 0.251 654 V C 2.361 178.328 176.094 -0.212 0.000 1.062 654 V CA 2.511 64.660 62.300 -0.252 0.000 1.038 654 V CB -1.350 30.276 31.823 -0.329 0.000 0.646 654 V HN 0.510 nan 8.190 nan 0.000 0.447 655 T N -1.105 113.315 114.554 -0.223 0.000 2.622 655 T HA -0.228 4.120 4.350 -0.004 0.000 0.266 655 T C 1.703 176.190 174.700 -0.354 0.000 1.047 655 T CA 2.280 64.213 62.100 -0.279 0.000 1.159 655 T CB -0.371 68.318 68.868 -0.298 0.000 0.863 655 T HN 0.565 nan 8.240 nan 0.000 0.422 656 Y N 0.640 120.764 120.300 -0.294 0.000 2.475 656 Y HA 0.309 4.856 4.550 -0.004 0.000 0.289 656 Y C 2.510 178.359 175.900 -0.085 0.000 1.121 656 Y CA 0.245 58.259 58.100 -0.143 0.000 1.257 656 Y CB -0.281 38.047 38.460 -0.221 0.000 1.026 656 Y HN 0.188 nan 8.280 nan 0.000 0.555 657 A N 0.200 122.945 122.820 -0.125 0.000 2.014 657 A HA -0.172 4.146 4.320 -0.004 0.000 0.218 657 A C 1.727 179.130 177.584 -0.302 0.000 1.163 657 A CA 1.463 53.224 52.037 -0.461 0.000 0.652 657 A CB -0.706 17.844 19.000 -0.750 0.000 0.808 657 A HN 0.542 nan 8.150 nan 0.000 0.449 658 N N -0.555 118.038 118.700 -0.177 0.000 2.521 658 N HA 0.069 4.806 4.740 -0.004 0.000 0.188 658 N C 0.946 176.374 175.510 -0.136 0.000 1.146 658 N CA 0.006 52.973 53.050 -0.139 0.000 0.893 658 N CB 0.127 38.553 38.487 -0.102 0.000 0.975 658 N HN 0.286 nan 8.380 nan 0.000 0.451 659 L N -0.234 120.914 121.223 -0.125 0.000 2.445 659 L HA 0.112 4.450 4.340 -0.004 0.000 0.207 659 L C 0.715 177.548 176.870 -0.062 0.000 1.053 659 L CA 1.154 55.959 54.840 -0.060 0.000 0.841 659 L CB -0.470 41.601 42.059 0.019 0.000 1.074 659 L HN -0.030 nan 8.230 nan 0.000 0.479 660 D N 0.158 120.493 120.400 -0.108 0.000 2.340 660 D HA 0.049 4.687 4.640 -0.004 0.000 0.220 660 D C 0.222 176.370 176.300 -0.253 0.000 1.039 660 D CA -0.056 53.857 54.000 -0.144 0.000 0.866 660 D CB 0.074 40.809 40.800 -0.109 0.000 0.913 660 D HN 0.018 nan 8.370 nan 0.000 0.523 661 R N 1.308 121.639 120.500 -0.282 0.000 2.403 661 R HA -0.143 4.195 4.340 -0.004 0.000 0.234 661 R C -2.254 173.894 176.300 -0.253 0.000 0.807 661 R CA 0.041 55.981 56.100 -0.266 0.000 0.615 661 R CB -1.371 28.817 30.300 -0.187 0.000 1.559 661 R HN 0.295 nan 8.270 nan 0.000 0.538 662 P HA 0.047 nan 4.420 nan 0.000 0.281 662 P C -0.475 176.738 177.300 -0.145 0.000 1.249 662 P CA -0.407 62.571 63.100 -0.204 0.000 0.810 662 P CB 0.859 32.429 31.700 -0.217 0.000 1.008 663 D N 2.128 122.475 120.400 -0.088 0.000 2.662 663 D HA 0.032 4.670 4.640 -0.004 0.000 0.228 663 D C 1.206 177.462 176.300 -0.072 0.000 1.093 663 D CA 0.029 53.981 54.000 -0.079 0.000 1.075 663 D CB -0.856 39.915 40.800 -0.048 0.000 1.122 663 D HN 0.241 nan 8.370 nan 0.000 0.475 664 L N 1.145 122.293 121.223 -0.126 0.000 2.651 664 L HA -0.129 4.208 4.340 -0.004 0.000 0.236 664 L C 1.971 178.777 176.870 -0.107 0.000 1.173 664 L CA 0.841 55.579 54.840 -0.170 0.000 0.843 664 L CB -0.157 41.657 42.059 -0.409 0.000 0.964 664 L HN 0.169 nan 8.230 nan 0.000 0.454 665 K N -0.419 119.939 120.400 -0.070 0.000 2.354 665 K HA 0.141 4.458 4.320 -0.004 0.000 0.194 665 K C 0.102 176.698 176.600 -0.007 0.000 1.038 665 K CA 0.134 56.402 56.287 -0.032 0.000 1.052 665 K CB 0.507 32.983 32.500 -0.040 0.000 0.861 665 K HN 0.236 nan 8.250 nan 0.000 0.535 666 N N 1.973 120.669 118.700 -0.006 0.000 2.725 666 N HA 0.167 4.905 4.740 -0.004 0.000 0.248 666 N C -2.862 172.662 175.510 0.022 0.000 1.402 666 N CA -0.741 52.314 53.050 0.008 0.000 0.766 666 N CB 1.744 40.231 38.487 -0.001 0.000 1.223 666 N HN 0.064 nan 8.380 nan 0.000 0.515 667 P HA 0.426 nan 4.420 nan 0.000 0.282 667 P C -2.677 174.658 177.300 0.058 0.000 1.249 667 P CA -1.112 62.027 63.100 0.064 0.000 0.806 667 P CB 0.507 32.262 31.700 0.092 0.000 0.984 668 P HA 0.205 nan 4.420 nan 0.000 0.265 668 P C -2.312 175.020 177.300 0.054 0.000 1.193 668 P CA -0.669 62.463 63.100 0.054 0.000 0.765 668 P CB -1.132 30.604 31.700 0.059 0.000 0.823 669 P HA -0.008 nan 4.420 nan 0.000 0.266 669 P C -1.833 175.496 177.300 0.048 0.000 1.195 669 P CA -0.765 62.360 63.100 0.042 0.000 0.768 669 P CB -0.341 31.379 31.700 0.034 0.000 0.838 670 P HA -0.272 nan 4.420 nan 0.000 0.216 670 P C 1.151 178.484 177.300 0.055 0.000 1.167 670 P CA 1.722 64.854 63.100 0.053 0.000 0.914 670 P CB -0.148 31.578 31.700 0.045 0.000 0.793 671 E N -0.048 120.180 120.200 0.047 0.000 2.197 671 E HA -0.234 4.114 4.350 -0.004 0.000 0.205 671 E C 1.553 178.181 176.600 0.046 0.000 1.029 671 E CA 1.541 57.968 56.400 0.046 0.000 0.828 671 E CB -0.924 28.798 29.700 0.038 0.000 0.737 671 E HN 0.389 nan 8.360 nan 0.000 0.464 672 K N 0.240 120.667 120.400 0.045 0.000 2.487 672 K HA 0.070 4.387 4.320 -0.004 0.000 0.192 672 K C 0.225 176.854 176.600 0.049 0.000 1.027 672 K CA 0.039 56.351 56.287 0.042 0.000 1.054 672 K CB 0.298 32.821 32.500 0.038 0.000 0.824 672 K HN -0.019 nan 8.250 nan 0.000 0.510 673 R N 1.214 121.750 120.500 0.060 0.000 2.500 673 R HA 0.261 4.598 4.340 -0.004 0.000 0.275 673 R C -2.387 173.957 176.300 0.074 0.000 1.051 673 R CA -2.304 53.839 56.100 0.072 0.000 1.088 673 R CB -0.319 30.034 30.300 0.089 0.000 1.063 673 R HN -0.105 nan 8.270 nan 0.000 0.511 674 P HA -0.003 nan 4.420 nan 0.000 0.273 674 P C 0.417 177.780 177.300 0.104 0.000 1.258 674 P CA -0.038 63.102 63.100 0.068 0.000 0.802 674 P CB 0.551 32.279 31.700 0.046 0.000 1.040 675 E N -0.626 119.635 120.200 0.101 0.000 2.072 675 E HA -0.112 4.235 4.350 -0.004 0.000 0.190 675 E C 1.763 178.500 176.600 0.229 0.000 0.982 675 E CA 1.199 57.683 56.400 0.141 0.000 0.803 675 E CB -0.746 29.016 29.700 0.104 0.000 0.755 675 E HN 0.304 nan 8.360 nan 0.000 0.453 676 M N 0.791 120.515 119.600 0.207 0.000 2.202 676 M HA -0.164 4.313 4.480 -0.004 0.000 0.262 676 M C 0.806 177.414 176.300 0.513 0.000 1.063 676 M CA 1.498 56.997 55.300 0.332 0.000 1.097 676 M CB 0.009 32.686 32.600 0.128 0.000 1.382 676 M HN -0.029 nan 8.290 nan 0.000 0.413 677 D N -1.232 119.381 120.400 0.355 0.000 2.162 677 D HA -0.095 4.543 4.640 -0.004 0.000 0.205 677 D C 2.021 178.443 176.300 0.204 0.000 0.964 677 D CA 0.820 55.011 54.000 0.319 0.000 0.847 677 D CB -0.381 40.556 40.800 0.229 0.000 0.988 677 D HN 0.405 nan 8.370 nan 0.000 0.480 678 R N -0.139 120.482 120.500 0.201 0.000 2.120 678 R HA -0.156 4.181 4.340 -0.004 0.000 0.234 678 R C 2.129 178.545 176.300 0.193 0.000 1.123 678 R CA 1.008 57.203 56.100 0.157 0.000 0.975 678 R CB -0.209 30.179 30.300 0.147 0.000 0.866 678 R HN 0.210 nan 8.270 nan 0.000 0.446 679 W N 1.096 122.468 121.300 0.120 0.000 2.352 679 W HA -0.228 4.430 4.660 -0.005 0.000 0.322 679 W C 1.658 178.254 176.519 0.128 0.000 1.208 679 W CA 1.065 58.489 57.345 0.132 0.000 1.286 679 W CB -1.008 28.559 29.460 0.177 0.000 1.167 679 W HN 0.084 nan 8.180 nan 0.000 0.469 680 L N 1.027 121.946 121.223 -0.507 0.000 2.137 680 L HA -0.247 4.090 4.340 -0.004 0.000 0.213 680 L C 2.438 179.062 176.870 -0.409 0.000 1.085 680 L CA 2.024 56.380 54.840 -0.807 0.000 0.760 680 L CB -1.007 40.679 42.059 -0.621 0.000 0.893 680 L HN 0.214 nan 8.230 nan 0.000 0.434 681 L N -1.753 119.347 121.223 -0.206 0.000 2.156 681 L HA -0.110 4.227 4.340 -0.004 0.000 0.208 681 L C 2.546 179.349 176.870 -0.111 0.000 1.095 681 L CA 0.897 55.663 54.840 -0.124 0.000 0.770 681 L CB -0.750 41.282 42.059 -0.045 0.000 0.914 681 L HN 0.339 nan 8.230 nan 0.000 0.439 682 A N 0.353 123.118 122.820 -0.092 0.000 1.897 682 A HA -0.218 4.100 4.320 -0.004 0.000 0.215 682 A C 2.332 179.874 177.584 -0.069 0.000 1.181 682 A CA 1.497 53.514 52.037 -0.034 0.000 0.620 682 A CB -0.411 18.625 19.000 0.060 0.000 0.821 682 A HN 0.283 nan 8.150 nan 0.000 0.443 683 R N -0.362 120.031 120.500 -0.178 0.000 2.120 683 R HA 0.006 4.343 4.340 -0.004 0.000 0.234 683 R C 1.915 178.133 176.300 -0.136 0.000 1.123 683 R CA 1.895 57.915 56.100 -0.135 0.000 0.975 683 R CB -0.583 29.531 30.300 -0.310 0.000 0.866 683 R HN 0.540 nan 8.270 nan 0.000 0.446 684 M N -0.033 119.449 119.600 -0.196 0.000 2.229 684 M HA -0.142 4.336 4.480 -0.004 0.000 0.264 684 M C 1.724 177.893 176.300 -0.218 0.000 1.063 684 M CA 1.316 56.446 55.300 -0.283 0.000 1.114 684 M CB -0.025 32.425 32.600 -0.249 0.000 1.387 684 M HN 0.109 nan 8.290 nan 0.000 0.420 685 Q N 0.019 119.739 119.800 -0.132 0.000 2.123 685 Q HA -0.149 4.189 4.340 -0.004 0.000 0.199 685 Q C 1.492 177.451 176.000 -0.069 0.000 0.966 685 Q CA 1.376 57.126 55.803 -0.088 0.000 0.845 685 Q CB -0.611 28.099 28.738 -0.046 0.000 0.907 685 Q HN 0.493 nan 8.270 nan 0.000 0.439 686 D N 0.709 121.075 120.400 -0.058 0.000 2.087 686 D HA -0.162 4.476 4.640 -0.004 0.000 0.192 686 D C 1.928 178.198 176.300 -0.050 0.000 0.993 686 D CA 0.802 54.787 54.000 -0.025 0.000 0.828 686 D CB -0.175 40.632 40.800 0.011 0.000 0.968 686 D HN 0.146 nan 8.370 nan 0.000 0.448 687 L N 0.630 121.782 121.223 -0.119 0.000 2.021 687 L HA -0.170 4.168 4.340 -0.004 0.000 0.215 687 L C 2.307 179.104 176.870 -0.122 0.000 1.074 687 L CA 1.717 56.456 54.840 -0.170 0.000 0.760 687 L CB -0.665 41.136 42.059 -0.429 0.000 0.889 687 L HN 0.220 nan 8.230 nan 0.000 0.433 688 I N -1.048 119.436 120.570 -0.142 0.000 2.264 688 I HA -0.326 3.842 4.170 -0.004 0.000 0.248 688 I C 2.558 178.695 176.117 0.033 0.000 1.111 688 I CA 1.438 62.689 61.300 -0.081 0.000 1.382 688 I CB -0.338 37.588 38.000 -0.122 0.000 1.060 688 I HN 0.425 nan 8.210 nan 0.000 0.418 689 Q N 0.788 120.597 119.800 0.015 0.000 2.046 689 Q HA -0.154 4.183 4.340 -0.004 0.000 0.200 689 Q C 2.311 178.341 176.000 0.051 0.000 0.975 689 Q CA 1.600 57.429 55.803 0.044 0.000 0.836 689 Q CB 0.003 28.756 28.738 0.025 0.000 0.896 689 Q HN 0.327 nan 8.270 nan 0.000 0.428 690 R N -0.832 119.686 120.500 0.029 0.000 2.096 690 R HA -0.145 4.193 4.340 -0.004 0.000 0.229 690 R C 2.275 178.600 176.300 0.042 0.000 1.134 690 R CA 1.779 57.896 56.100 0.028 0.000 0.917 690 R CB -0.998 29.312 30.300 0.016 0.000 0.832 690 R HN 0.131 nan 8.270 nan 0.000 0.430 691 V N 1.119 121.069 119.914 0.060 0.000 2.313 691 V HA -0.320 3.798 4.120 -0.004 0.000 0.253 691 V C 2.272 178.438 176.094 0.120 0.000 1.070 691 V CA 2.471 64.841 62.300 0.115 0.000 1.057 691 V CB -0.875 31.071 31.823 0.206 0.000 0.653 691 V HN 0.525 nan 8.190 nan 0.000 0.450 692 T N -1.135 113.536 114.554 0.195 0.000 2.821 692 T HA -0.193 4.154 4.350 -0.004 0.000 0.267 692 T C 1.833 176.534 174.700 0.001 0.000 1.046 692 T CA 1.464 63.652 62.100 0.147 0.000 1.139 692 T CB -0.221 68.841 68.868 0.323 0.000 0.871 692 T HN 0.587 nan 8.240 nan 0.000 0.454 693 E N 0.926 121.145 120.200 0.032 0.000 2.058 693 E HA -0.165 4.182 4.350 -0.004 0.000 0.194 693 E C 2.432 179.018 176.600 -0.023 0.000 0.997 693 E CA 1.156 57.563 56.400 0.011 0.000 0.801 693 E CB -0.179 29.535 29.700 0.024 0.000 0.746 693 E HN 0.500 nan 8.360 nan 0.000 0.450 694 A N 0.542 123.342 122.820 -0.033 0.000 1.930 694 A HA -0.103 4.215 4.320 -0.004 0.000 0.217 694 A C 2.125 179.645 177.584 -0.106 0.000 1.175 694 A CA 0.817 52.829 52.037 -0.042 0.000 0.627 694 A CB -0.437 18.548 19.000 -0.026 0.000 0.815 694 A HN 0.225 nan 8.150 nan 0.000 0.443 695 L N -1.038 120.036 121.223 -0.248 0.000 2.156 695 L HA -0.108 4.229 4.340 -0.004 0.000 0.208 695 L C 2.478 179.072 176.870 -0.460 0.000 1.095 695 L CA 1.349 55.900 54.840 -0.480 0.000 0.770 695 L CB -0.334 41.048 42.059 -1.129 0.000 0.914 695 L HN 0.342 nan 8.230 nan 0.000 0.439 696 E N 0.523 120.548 120.200 -0.292 0.000 2.268 696 E HA -0.113 4.234 4.350 -0.004 0.000 0.195 696 E C 1.743 178.301 176.600 -0.071 0.000 0.995 696 E CA 0.996 57.303 56.400 -0.155 0.000 0.836 696 E CB 0.093 29.770 29.700 -0.039 0.000 0.763 696 E HN 0.365 nan 8.360 nan 0.000 0.491 697 A N -1.215 121.588 122.820 -0.028 0.000 2.348 697 A HA 0.157 4.475 4.320 -0.004 0.000 0.224 697 A C -0.347 177.374 177.584 0.228 0.000 1.227 697 A CA -0.126 51.993 52.037 0.137 0.000 0.885 697 A CB -0.353 18.699 19.000 0.088 0.000 0.933 697 A HN 0.314 nan 8.150 nan 0.000 0.506 698 Y N -0.608 119.656 120.300 -0.061 0.000 3.477 698 Y HA -0.196 4.352 4.550 -0.004 0.000 0.216 698 Y C 0.003 175.866 175.900 -0.062 0.000 1.296 698 Y CA 0.658 58.649 58.100 -0.182 0.000 1.535 698 Y CB -1.679 36.532 38.460 -0.415 0.000 1.482 698 Y HN 0.479 nan 8.280 nan 0.000 0.597 699 D N 1.162 121.617 120.400 0.093 0.000 2.472 699 D HA 0.271 4.909 4.640 -0.004 0.000 0.234 699 D C -1.639 174.698 176.300 0.060 0.000 1.088 699 D CA -2.384 51.653 54.000 0.063 0.000 0.882 699 D CB 1.164 41.983 40.800 0.033 0.000 1.037 699 D HN 0.068 nan 8.370 nan 0.000 0.520 700 P HA -0.009 nan 4.420 nan 0.000 0.245 700 P C 0.968 178.268 177.300 0.001 0.000 1.206 700 P CA 0.458 63.585 63.100 0.046 0.000 0.781 700 P CB 0.499 32.285 31.700 0.144 0.000 0.994 701 T N -2.242 112.316 114.554 0.006 0.000 3.000 701 T HA -0.012 4.336 4.350 -0.004 0.000 0.248 701 T C 1.772 176.414 174.700 -0.096 0.000 1.034 701 T CA 1.493 63.559 62.100 -0.058 0.000 1.060 701 T CB -0.979 67.873 68.868 -0.026 0.000 0.983 701 T HN 0.104 nan 8.240 nan 0.000 0.482 702 T N 0.380 114.902 114.554 -0.053 0.000 2.978 702 T HA -0.013 4.334 4.350 -0.004 0.000 0.262 702 T C 2.318 176.980 174.700 -0.064 0.000 1.063 702 T CA 1.433 63.503 62.100 -0.051 0.000 1.140 702 T CB -0.712 68.144 68.868 -0.019 0.000 0.886 702 T HN 0.496 nan 8.240 nan 0.000 0.470 703 S N 2.790 118.454 115.700 -0.060 0.000 2.348 703 S HA 0.066 4.533 4.470 -0.004 0.000 0.221 703 S C 2.541 177.036 174.600 -0.175 0.000 1.033 703 S CA 0.916 59.084 58.200 -0.053 0.000 1.010 703 S CB -1.245 61.967 63.200 0.019 0.000 0.891 703 S HN 0.726 nan 8.310 nan 0.000 0.442 704 A N 2.278 124.904 122.820 -0.323 0.000 1.940 704 A HA -0.093 4.225 4.320 -0.004 0.000 0.219 704 A C 2.404 179.774 177.584 -0.357 0.000 1.176 704 A CA 1.568 53.243 52.037 -0.603 0.000 0.631 704 A CB -0.684 17.846 19.000 -0.783 0.000 0.814 704 A HN 0.589 nan 8.150 nan 0.000 0.446 705 R N -0.837 119.512 120.500 -0.251 0.000 2.115 705 R HA 0.001 4.338 4.340 -0.004 0.000 0.230 705 R C 2.464 178.743 176.300 -0.036 0.000 1.111 705 R CA 0.957 56.976 56.100 -0.135 0.000 0.976 705 R CB -0.368 29.870 30.300 -0.104 0.000 0.870 705 R HN 0.534 nan 8.270 nan 0.000 0.445 706 A N 1.351 124.150 122.820 -0.036 0.000 1.877 706 A HA -0.150 4.167 4.320 -0.004 0.000 0.216 706 A C 2.110 179.733 177.584 0.064 0.000 1.186 706 A CA 0.944 52.993 52.037 0.019 0.000 0.620 706 A CB -0.587 18.414 19.000 0.003 0.000 0.822 706 A HN 0.290 nan 8.150 nan 0.000 0.443 707 L N -0.698 120.533 121.223 0.013 0.000 2.043 707 L HA -0.233 4.105 4.340 -0.004 0.000 0.212 707 L C 2.834 179.817 176.870 0.189 0.000 1.075 707 L CA 1.921 56.797 54.840 0.060 0.000 0.752 707 L CB -0.312 41.712 42.059 -0.057 0.000 0.891 707 L HN 0.451 nan 8.230 nan 0.000 0.432 708 R N 0.262 120.838 120.500 0.127 0.000 2.070 708 R HA -0.194 4.144 4.340 -0.004 0.000 0.233 708 R C 1.786 178.223 176.300 0.229 0.000 1.137 708 R CA 2.248 58.459 56.100 0.184 0.000 0.945 708 R CB -0.808 29.575 30.300 0.138 0.000 0.845 708 R HN 0.438 nan 8.270 nan 0.000 0.430 709 D N 0.131 120.632 120.400 0.169 0.000 2.123 709 D HA -0.182 4.455 4.640 -0.004 0.000 0.196 709 D C 1.718 178.129 176.300 0.185 0.000 0.992 709 D CA 1.053 55.146 54.000 0.156 0.000 0.833 709 D CB -0.507 40.366 40.800 0.121 0.000 0.954 709 D HN 0.184 nan 8.370 nan 0.000 0.455 710 F N 2.018 122.014 119.950 0.077 0.000 2.043 710 F HA -0.272 4.252 4.527 -0.005 0.000 0.297 710 F C 2.281 178.128 175.800 0.077 0.000 1.121 710 F CA 1.254 59.289 58.000 0.058 0.000 1.199 710 F CB -0.610 38.399 39.000 0.015 0.000 0.968 710 F HN -0.212 nan 8.300 nan 0.000 0.478 711 V N 0.081 120.051 119.914 0.093 0.000 2.546 711 V HA -0.250 3.867 4.120 -0.004 0.000 0.254 711 V C 1.160 177.236 176.094 -0.030 0.000 1.076 711 V CA 1.426 63.714 62.300 -0.020 0.000 1.087 711 V CB -0.893 31.031 31.823 0.168 0.000 0.674 711 V HN 0.218 nan 8.190 nan 0.000 0.470 712 V N 1.652 121.597 119.914 0.051 0.000 2.370 712 V HA 0.375 4.492 4.120 -0.004 0.000 0.279 712 V C 0.511 176.641 176.094 0.059 0.000 1.280 712 V CA 0.632 62.973 62.300 0.068 0.000 1.392 712 V CB -0.351 31.544 31.823 0.121 0.000 1.464 712 V HN 0.889 nan 8.190 nan 0.000 0.525 713 E N -0.734 119.484 120.200 0.029 0.000 1.769 713 E HA -0.091 4.257 4.350 -0.004 0.000 0.172 713 E C 0.607 177.280 176.600 0.121 0.000 0.799 713 E CA 0.573 57.040 56.400 0.112 0.000 1.207 713 E CB -0.798 28.970 29.700 0.114 0.000 3.012 713 E HN 0.390 nan 8.360 nan 0.000 0.607 714 D N -0.090 120.243 120.400 -0.111 0.000 2.379 714 D HA 0.110 4.748 4.640 -0.004 0.000 0.218 714 D C 1.433 177.722 176.300 -0.019 0.000 1.006 714 D CA 0.902 54.763 54.000 -0.231 0.000 0.893 714 D CB 0.483 40.839 40.800 -0.741 0.000 1.019 714 D HN 0.181 nan 8.370 nan 0.000 0.503 715 L N -0.642 120.566 121.223 -0.024 0.000 2.675 715 L HA 0.229 4.566 4.340 -0.004 0.000 0.178 715 L C 1.889 178.781 176.870 0.037 0.000 1.135 715 L CA 1.106 55.944 54.840 -0.004 0.000 0.855 715 L CB -0.828 41.214 42.059 -0.029 0.000 1.235 715 L HN 0.168 nan 8.230 nan 0.000 0.499 716 S N 0.488 116.218 115.700 0.051 0.000 2.411 716 S HA -0.392 4.076 4.470 -0.004 0.000 0.293 716 S C 1.534 176.191 174.600 0.096 0.000 1.146 716 S CA 2.995 61.240 58.200 0.074 0.000 1.337 716 S CB -0.274 62.977 63.200 0.085 0.000 1.258 716 S HN 0.716 nan 8.310 nan 0.000 0.453 717 Q N -1.900 117.998 119.800 0.163 0.000 1.986 717 Q HA 0.212 4.550 4.340 -0.004 0.000 0.225 717 Q C 0.021 176.302 176.000 0.469 0.000 0.836 717 Q CA -0.401 55.536 55.803 0.224 0.000 1.008 717 Q CB 0.241 29.088 28.738 0.180 0.000 1.253 717 Q HN 0.785 nan 8.270 nan 0.000 0.415 718 W N -1.272 120.060 121.300 0.054 0.000 4.482 718 W HA 0.014 4.671 4.660 -0.004 0.000 0.251 718 W C 1.134 177.735 176.519 0.138 0.000 3.462 718 W CA 0.038 57.438 57.345 0.091 0.000 1.160 718 W CB -0.363 29.190 29.460 0.155 0.000 2.112 718 W HN 0.127 nan 8.180 nan 0.000 0.353 719 Y N 1.901 122.336 120.300 0.226 0.000 1.938 719 Y HA -0.385 4.163 4.550 -0.004 0.000 0.253 719 Y C 2.281 178.187 175.900 0.009 0.000 1.163 719 Y CA 3.222 61.390 58.100 0.114 0.000 1.086 719 Y CB -1.191 37.384 38.460 0.191 0.000 0.928 719 Y HN -0.104 nan 8.280 nan 0.000 0.493 720 V N 0.363 120.371 119.914 0.157 0.000 2.568 720 V HA -0.307 3.811 4.120 -0.004 0.000 0.253 720 V C 2.430 178.426 176.094 -0.163 0.000 1.072 720 V CA 2.355 64.641 62.300 -0.025 0.000 1.084 720 V CB -0.511 31.244 31.823 -0.112 0.000 0.676 720 V HN 0.471 nan 8.190 nan 0.000 0.469 721 R N 0.537 120.963 120.500 -0.123 0.000 2.070 721 R HA -0.010 4.328 4.340 -0.004 0.000 0.227 721 R C 2.363 178.532 176.300 -0.217 0.000 1.147 721 R CA 1.832 57.848 56.100 -0.140 0.000 0.924 721 R CB -0.479 29.796 30.300 -0.043 0.000 0.827 721 R HN 0.375 nan 8.270 nan 0.000 0.431 722 R N 0.302 120.585 120.500 -0.361 0.000 2.335 722 R HA 0.156 4.493 4.340 -0.004 0.000 0.223 722 R C 0.147 176.228 176.300 -0.366 0.000 0.940 722 R CA 0.128 55.986 56.100 -0.403 0.000 1.086 722 R CB 0.137 30.051 30.300 -0.642 0.000 1.073 722 R HN 0.270 nan 8.270 nan 0.000 0.504 723 N N -0.210 118.283 118.700 -0.345 0.000 2.160 723 N HA 0.022 4.759 4.740 -0.004 0.000 0.226 723 N C 0.967 176.397 175.510 -0.133 0.000 1.256 723 N CA -0.014 52.828 53.050 -0.348 0.000 0.890 723 N CB 0.625 38.721 38.487 -0.651 0.000 1.116 723 N HN 0.127 nan 8.380 nan 0.000 0.517 724 R N 1.892 122.360 120.500 -0.053 0.000 2.127 724 R HA -0.096 4.242 4.340 -0.004 0.000 0.238 724 R C 2.188 178.574 176.300 0.143 0.000 1.134 724 R CA 1.467 57.623 56.100 0.093 0.000 0.975 724 R CB 0.148 30.406 30.300 -0.069 0.000 0.865 724 R HN 0.250 nan 8.270 nan 0.000 0.447 725 R N -0.207 120.304 120.500 0.017 0.000 2.148 725 R HA -0.044 4.293 4.340 -0.004 0.000 0.223 725 R C 1.258 177.560 176.300 0.003 0.000 1.088 725 R CA 0.993 57.120 56.100 0.045 0.000 0.985 725 R CB -0.267 30.035 30.300 0.004 0.000 0.880 725 R HN 0.103 nan 8.270 nan 0.000 0.451 726 R N 0.104 120.491 120.500 -0.189 0.000 2.346 726 R HA 0.033 4.371 4.340 -0.004 0.000 0.208 726 R C -0.052 175.925 176.300 -0.539 0.000 1.052 726 R CA 0.412 56.290 56.100 -0.370 0.000 1.116 726 R CB 0.036 30.013 30.300 -0.539 0.000 1.003 726 R HN 0.292 nan 8.270 nan 0.000 0.482 727 F N -2.168 117.804 119.950 0.038 0.000 2.798 727 F HA 0.210 4.734 4.527 -0.004 0.000 0.328 727 F C 0.620 176.598 175.800 0.297 0.000 1.098 727 F CA -0.798 57.212 58.000 0.017 0.000 1.172 727 F CB 0.369 39.204 39.000 -0.275 0.000 1.072 727 F HN 0.068 nan 8.300 nan 0.000 0.555 728 W N 2.745 124.143 121.300 0.162 0.000 2.576 728 W HA 0.219 4.876 4.660 -0.004 0.000 0.360 728 W C 1.178 177.780 176.519 0.137 0.000 1.109 728 W CA -0.933 56.531 57.345 0.199 0.000 1.237 728 W CB 1.180 30.736 29.460 0.160 0.000 1.369 728 W HN -0.070 nan 8.180 nan 0.000 0.609 729 K N 0.794 120.863 120.400 -0.551 0.000 2.007 729 K HA -0.406 3.912 4.320 -0.004 0.000 0.231 729 K C 1.208 177.629 176.600 -0.298 0.000 1.044 729 K CA 2.489 58.387 56.287 -0.649 0.000 0.996 729 K CB -1.093 30.731 32.500 -1.127 0.000 0.738 729 K HN 0.436 nan 8.250 nan 0.000 0.447 730 N N 1.277 119.800 118.700 -0.296 0.000 2.251 730 N HA -0.187 4.551 4.740 -0.004 0.000 0.196 730 N C 0.250 175.718 175.510 -0.069 0.000 0.993 730 N CA 1.129 54.097 53.050 -0.136 0.000 0.896 730 N CB -0.399 38.043 38.487 -0.075 0.000 0.994 730 N HN 0.398 nan 8.380 nan 0.000 0.452 731 E N 2.077 122.258 120.200 -0.032 0.000 1.833 731 E HA -0.070 4.277 4.350 -0.004 0.000 0.258 731 E C -0.280 176.313 176.600 -0.013 0.000 1.257 731 E CA 0.117 56.512 56.400 -0.008 0.000 1.003 731 E CB -0.235 29.481 29.700 0.026 0.000 1.068 731 E HN 0.340 nan 8.360 nan 0.000 0.422 732 D N 1.223 121.607 120.400 -0.026 0.000 2.559 732 D HA 0.112 4.749 4.640 -0.004 0.000 0.234 732 D C -0.062 176.229 176.300 -0.015 0.000 1.226 732 D CA -0.496 53.490 54.000 -0.024 0.000 0.830 732 D CB 0.296 41.074 40.800 -0.037 0.000 1.028 732 D HN 0.123 nan 8.370 nan 0.000 0.492 733 A N 1.146 123.960 122.820 -0.010 0.000 2.838 733 A HA 0.421 4.738 4.320 -0.004 0.000 0.337 733 A C 1.289 178.876 177.584 0.005 0.000 1.383 733 A CA -0.670 51.364 52.037 -0.006 0.000 0.985 733 A CB -0.204 18.788 19.000 -0.012 0.000 1.157 733 A HN 0.213 nan 8.150 nan 0.000 0.497 734 L N 2.140 123.367 121.223 0.007 0.000 2.241 734 L HA -0.382 3.955 4.340 -0.004 0.000 0.244 734 L C 1.554 178.442 176.870 0.030 0.000 1.128 734 L CA 3.244 58.094 54.840 0.016 0.000 0.849 734 L CB -0.934 41.131 42.059 0.009 0.000 0.965 734 L HN 0.658 nan 8.230 nan 0.000 0.444 735 D N -1.073 119.342 120.400 0.025 0.000 2.088 735 D HA -0.222 4.416 4.640 -0.004 0.000 0.191 735 D C 2.295 178.618 176.300 0.038 0.000 0.992 735 D CA 2.085 56.105 54.000 0.035 0.000 0.831 735 D CB -0.294 40.522 40.800 0.027 0.000 0.973 735 D HN 0.453 nan 8.370 nan 0.000 0.447 736 R N 0.609 121.120 120.500 0.017 0.000 2.105 736 R HA -0.200 4.138 4.340 -0.004 0.000 0.239 736 R C 2.109 178.404 176.300 -0.007 0.000 1.135 736 R CA 1.555 57.653 56.100 -0.004 0.000 0.967 736 R CB -0.093 30.190 30.300 -0.028 0.000 0.861 736 R HN 0.275 nan 8.270 nan 0.000 0.442 737 E N -0.056 120.158 120.200 0.022 0.000 2.118 737 E HA -0.156 4.192 4.350 -0.004 0.000 0.195 737 E C 0.594 177.301 176.600 0.177 0.000 0.992 737 E CA 1.091 57.534 56.400 0.071 0.000 0.804 737 E CB -0.099 29.646 29.700 0.076 0.000 0.741 737 E HN 0.446 nan 8.360 nan 0.000 0.458 738 A N 0.359 123.268 122.820 0.149 0.000 2.478 738 A HA 0.294 4.611 4.320 -0.004 0.000 0.239 738 A C 1.452 179.180 177.584 0.240 0.000 1.480 738 A CA 0.675 52.840 52.037 0.212 0.000 1.308 738 A CB -0.575 18.502 19.000 0.128 0.000 0.899 738 A HN 0.358 nan 8.150 nan 0.000 0.600 739 A N -1.215 121.726 122.820 0.202 0.000 2.235 739 A HA 0.130 4.447 4.320 -0.004 0.000 0.208 739 A C 1.394 179.151 177.584 0.287 0.000 1.172 739 A CA 0.545 52.650 52.037 0.114 0.000 0.786 739 A CB -0.559 18.317 19.000 -0.207 0.000 0.804 739 A HN 0.645 nan 8.150 nan 0.000 0.479 740 Y N -0.443 120.080 120.300 0.372 0.000 2.509 740 Y HA 0.024 4.572 4.550 -0.004 0.000 0.293 740 Y C 2.607 178.803 175.900 0.494 0.000 1.133 740 Y CA 0.443 58.885 58.100 0.569 0.000 1.283 740 Y CB -0.356 38.377 38.460 0.453 0.000 1.001 740 Y HN 0.355 nan 8.280 nan 0.000 0.555 741 A N 0.017 123.110 122.820 0.455 0.000 1.902 741 A HA -0.222 4.096 4.320 -0.004 0.000 0.217 741 A C 2.391 180.140 177.584 0.275 0.000 1.181 741 A CA 2.382 54.620 52.037 0.335 0.000 0.623 741 A CB -1.231 17.902 19.000 0.222 0.000 0.818 741 A HN 0.482 nan 8.150 nan 0.000 0.443 742 T N -2.392 112.291 114.554 0.215 0.000 2.851 742 T HA -0.047 4.300 4.350 -0.004 0.000 0.262 742 T C 1.687 176.388 174.700 0.002 0.000 1.043 742 T CA 1.370 63.521 62.100 0.084 0.000 1.140 742 T CB -0.384 68.520 68.868 0.061 0.000 0.872 742 T HN 0.229 nan 8.240 nan 0.000 0.446 743 L N -0.063 121.223 121.223 0.105 0.000 2.395 743 L HA 0.260 4.597 4.340 -0.004 0.000 0.218 743 L C 2.024 178.757 176.870 -0.228 0.000 1.130 743 L CA 0.914 55.750 54.840 -0.007 0.000 0.826 743 L CB -1.016 41.194 42.059 0.251 0.000 0.941 743 L HN 0.420 nan 8.230 nan 0.000 0.451 744 Y N -0.085 120.078 120.300 -0.229 0.000 2.231 744 Y HA -0.056 4.491 4.550 -0.004 0.000 0.294 744 Y C 2.310 178.067 175.900 -0.239 0.000 1.120 744 Y CA 1.508 59.345 58.100 -0.437 0.000 1.141 744 Y CB 0.077 38.566 38.460 0.049 0.000 1.022 744 Y HN 0.193 nan 8.280 nan 0.000 0.523 745 E N 0.445 120.552 120.200 -0.154 0.000 2.204 745 E HA -0.055 4.293 4.350 -0.004 0.000 0.194 745 E C 2.183 178.639 176.600 -0.241 0.000 0.989 745 E CA 1.013 57.289 56.400 -0.207 0.000 0.824 745 E CB -0.397 29.286 29.700 -0.028 0.000 0.756 745 E HN 0.564 nan 8.360 nan 0.000 0.477 746 A N 0.361 123.057 122.820 -0.206 0.000 1.835 746 A HA -0.159 4.159 4.320 -0.004 0.000 0.215 746 A C 2.173 179.658 177.584 -0.164 0.000 1.199 746 A CA 1.288 53.245 52.037 -0.134 0.000 0.615 746 A CB -0.855 18.090 19.000 -0.091 0.000 0.838 746 A HN 0.244 nan 8.150 nan 0.000 0.444 747 L N -0.184 120.878 121.223 -0.268 0.000 2.043 747 L HA -0.193 4.144 4.340 -0.004 0.000 0.212 747 L C 2.433 179.117 176.870 -0.309 0.000 1.075 747 L CA 1.231 55.895 54.840 -0.293 0.000 0.752 747 L CB -0.587 41.222 42.059 -0.418 0.000 0.891 747 L HN 0.258 nan 8.230 nan 0.000 0.432 748 V N -0.388 119.271 119.914 -0.425 0.000 2.720 748 V HA -0.239 3.879 4.120 -0.004 0.000 0.256 748 V C 2.212 178.193 176.094 -0.188 0.000 1.082 748 V CA 1.212 63.309 62.300 -0.338 0.000 1.101 748 V CB -0.325 31.211 31.823 -0.478 0.000 0.693 748 V HN 0.318 nan 8.190 nan 0.000 0.479 749 L N -0.125 120.971 121.223 -0.212 0.000 2.095 749 L HA 0.012 4.350 4.340 -0.004 0.000 0.204 749 L C 2.349 179.107 176.870 -0.187 0.000 1.080 749 L CA 1.670 56.385 54.840 -0.209 0.000 0.759 749 L CB -0.389 41.517 42.059 -0.255 0.000 0.914 749 L HN 0.130 nan 8.230 nan 0.000 0.439 750 V N 0.310 120.139 119.914 -0.142 0.000 2.343 750 V HA -0.281 3.837 4.120 -0.004 0.000 0.247 750 V C 2.801 178.858 176.094 -0.062 0.000 1.051 750 V CA 1.627 63.878 62.300 -0.081 0.000 1.036 750 V CB -1.564 30.243 31.823 -0.027 0.000 0.654 750 V HN 0.562 nan 8.190 nan 0.000 0.451 751 A N -0.153 122.623 122.820 -0.073 0.000 1.972 751 A HA -0.187 4.130 4.320 -0.004 0.000 0.219 751 A C 2.363 179.962 177.584 0.025 0.000 1.169 751 A CA 2.376 54.404 52.037 -0.016 0.000 0.635 751 A CB -0.737 18.268 19.000 0.008 0.000 0.810 751 A HN 0.544 nan 8.150 nan 0.000 0.446 752 T N 0.096 114.639 114.554 -0.017 0.000 2.852 752 T HA 0.064 4.411 4.350 -0.004 0.000 0.256 752 T C 1.820 176.449 174.700 -0.117 0.000 1.038 752 T CA 1.084 63.143 62.100 -0.068 0.000 1.141 752 T CB -0.289 68.511 68.868 -0.113 0.000 0.869 752 T HN 0.338 nan 8.240 nan 0.000 0.439 753 L N 1.072 122.189 121.223 -0.177 0.000 2.046 753 L HA -0.012 4.325 4.340 -0.004 0.000 0.208 753 L C 2.963 180.025 176.870 0.321 0.000 1.077 753 L CA 1.138 55.921 54.840 -0.096 0.000 0.747 753 L CB -0.657 41.335 42.059 -0.110 0.000 0.896 753 L HN 0.248 nan 8.230 nan 0.000 0.432 754 A N -0.098 122.856 122.820 0.223 0.000 2.172 754 A HA -0.011 4.307 4.320 -0.004 0.000 0.216 754 A C 2.490 180.269 177.584 0.325 0.000 1.154 754 A CA 1.191 53.432 52.037 0.339 0.000 0.701 754 A CB -0.445 18.630 19.000 0.126 0.000 0.789 754 A HN 0.397 nan 8.150 nan 0.000 0.465 755 A N 1.066 123.999 122.820 0.188 0.000 1.873 755 A HA -0.096 4.221 4.320 -0.004 0.000 0.218 755 A C 0.198 177.718 177.584 -0.107 0.000 1.193 755 A CA 1.957 54.041 52.037 0.078 0.000 0.629 755 A CB -1.651 17.388 19.000 0.065 0.000 0.826 755 A HN 0.455 nan 8.150 nan 0.000 0.447 756 P HA -0.051 nan 4.420 nan 0.000 0.223 756 P C 0.754 177.742 177.300 -0.519 0.000 1.151 756 P CA 0.888 63.677 63.100 -0.518 0.000 0.787 756 P CB -0.084 31.186 31.700 -0.717 0.000 0.788 757 F N -0.594 119.326 119.950 -0.051 0.000 2.148 757 F HA 0.039 4.563 4.527 -0.005 0.000 0.285 757 F C 1.289 177.266 175.800 0.296 0.000 1.092 757 F CA 1.000 59.081 58.000 0.136 0.000 1.218 757 F CB -1.604 37.560 39.000 0.274 0.000 1.059 757 F HN -0.258 nan 8.300 nan 0.000 0.490 758 T N -0.951 113.873 114.554 0.450 0.000 3.254 758 T HA 0.264 4.612 4.350 -0.004 0.000 0.385 758 T C -1.987 172.838 174.700 0.209 0.000 1.528 758 T CA -2.024 60.273 62.100 0.329 0.000 1.212 758 T CB 0.803 69.827 68.868 0.259 0.000 1.145 758 T HN -0.056 nan 8.240 nan 0.000 0.631 759 P HA -0.114 nan 4.420 nan 0.000 0.219 759 P C 0.890 178.335 177.300 0.242 0.000 1.146 759 P CA 0.843 63.956 63.100 0.023 0.000 0.808 759 P CB 0.018 31.479 31.700 -0.399 0.000 0.779 760 F N -0.368 119.790 119.950 0.347 0.000 2.094 760 F HA -0.042 4.482 4.527 -0.004 0.000 0.291 760 F C 2.574 178.484 175.800 0.184 0.000 1.109 760 F CA 0.425 58.566 58.000 0.235 0.000 1.221 760 F CB -1.407 37.683 39.000 0.149 0.000 1.014 760 F HN -0.219 nan 8.300 nan 0.000 0.473 761 L N 0.746 122.199 121.223 0.384 0.000 2.079 761 L HA -0.179 4.158 4.340 -0.004 0.000 0.210 761 L C 2.356 179.318 176.870 0.155 0.000 1.081 761 L CA 1.891 56.885 54.840 0.256 0.000 0.752 761 L CB -1.097 41.048 42.059 0.144 0.000 0.896 761 L HN 0.115 nan 8.230 nan 0.000 0.433 762 A N -0.896 122.016 122.820 0.153 0.000 1.908 762 A HA -0.274 4.043 4.320 -0.004 0.000 0.218 762 A C 2.254 179.912 177.584 0.125 0.000 1.181 762 A CA 1.813 53.919 52.037 0.115 0.000 0.627 762 A CB -0.729 18.360 19.000 0.147 0.000 0.818 762 A HN 0.546 nan 8.150 nan 0.000 0.445 763 E N -0.053 120.228 120.200 0.136 0.000 2.031 763 E HA -0.160 4.187 4.350 -0.004 0.000 0.193 763 E C 2.037 178.699 176.600 0.104 0.000 0.994 763 E CA 2.037 58.478 56.400 0.068 0.000 0.800 763 E CB -0.474 29.265 29.700 0.066 0.000 0.752 763 E HN 0.564 nan 8.360 nan 0.000 0.447 764 V N -0.513 119.469 119.914 0.112 0.000 2.392 764 V HA -0.201 3.917 4.120 -0.004 0.000 0.249 764 V C 2.193 178.341 176.094 0.091 0.000 1.059 764 V CA 1.780 64.149 62.300 0.115 0.000 1.051 764 V CB -0.565 31.376 31.823 0.197 0.000 0.658 764 V HN 0.263 nan 8.190 nan 0.000 0.455 765 L N -0.453 120.785 121.223 0.024 0.000 2.141 765 L HA -0.019 4.318 4.340 -0.004 0.000 0.209 765 L C 2.349 179.237 176.870 0.031 0.000 1.094 765 L CA 2.264 57.020 54.840 -0.140 0.000 0.763 765 L CB -0.736 41.168 42.059 -0.259 0.000 0.908 765 L HN 0.724 nan 8.230 nan 0.000 0.437 766 W N -0.396 120.861 121.300 -0.072 0.000 2.476 766 W HA -0.130 4.528 4.660 -0.004 0.000 0.281 766 W C 2.024 178.555 176.519 0.021 0.000 1.230 766 W CA 0.727 58.055 57.345 -0.029 0.000 1.287 766 W CB 0.057 29.503 29.460 -0.023 0.000 1.108 766 W HN 0.223 nan 8.180 nan 0.000 0.567 767 Q N 0.500 120.442 119.800 0.236 0.000 2.020 767 Q HA -0.195 4.143 4.340 -0.004 0.000 0.202 767 Q C 1.857 177.914 176.000 0.096 0.000 0.982 767 Q CA 1.571 57.459 55.803 0.141 0.000 0.838 767 Q CB -1.121 27.668 28.738 0.085 0.000 0.899 767 Q HN 0.310 nan 8.270 nan 0.000 0.423 768 N N 0.567 119.345 118.700 0.130 0.000 2.063 768 N HA -0.115 4.622 4.740 -0.004 0.000 0.192 768 N C 1.783 177.447 175.510 0.257 0.000 1.071 768 N CA 0.749 53.923 53.050 0.206 0.000 0.858 768 N CB -0.559 38.066 38.487 0.229 0.000 1.050 768 N HN 0.031 nan 8.380 nan 0.000 0.434 769 L N 0.336 121.656 121.223 0.161 0.000 2.113 769 L HA -0.208 4.130 4.340 -0.004 0.000 0.221 769 L C 2.241 179.254 176.870 0.238 0.000 1.084 769 L CA 1.351 56.280 54.840 0.148 0.000 0.787 769 L CB -0.774 41.235 42.059 -0.082 0.000 0.893 769 L HN 0.165 nan 8.230 nan 0.000 0.440 770 V N -1.963 117.891 119.914 -0.100 0.000 2.627 770 V HA -0.003 4.114 4.120 -0.004 0.000 0.239 770 V C 2.367 178.321 176.094 -0.233 0.000 1.077 770 V CA 0.560 62.659 62.300 -0.334 0.000 1.103 770 V CB -0.302 30.793 31.823 -1.212 0.000 0.802 770 V HN 0.271 nan 8.190 nan 0.000 0.482 771 R N 0.495 120.852 120.500 -0.238 0.000 2.193 771 R HA -0.067 4.271 4.340 -0.004 0.000 0.229 771 R C 2.307 178.611 176.300 0.007 0.000 1.110 771 R CA 1.306 57.364 56.100 -0.070 0.000 0.988 771 R CB -0.495 29.819 30.300 0.023 0.000 0.871 771 R HN 0.457 nan 8.270 nan 0.000 0.458 772 S N 0.143 115.876 115.700 0.054 0.000 2.395 772 S HA -0.035 4.432 4.470 -0.004 0.000 0.225 772 S C 2.077 176.642 174.600 -0.059 0.000 1.027 772 S CA 0.827 59.043 58.200 0.026 0.000 0.965 772 S CB 0.128 63.391 63.200 0.105 0.000 0.812 772 S HN 0.057 nan 8.310 nan 0.000 0.482 773 V N 0.945 120.852 119.914 -0.013 0.000 2.341 773 V HA 0.127 4.244 4.120 -0.004 0.000 0.240 773 V C 0.901 176.971 176.094 -0.040 0.000 1.035 773 V CA 0.984 63.248 62.300 -0.060 0.000 1.033 773 V CB -0.271 31.546 31.823 -0.010 0.000 0.678 773 V HN 0.228 nan 8.190 nan 0.000 0.464 774 R N 1.592 122.080 120.500 -0.021 0.000 3.070 774 R HA 0.320 4.657 4.340 -0.004 0.000 0.252 774 R C 1.403 177.696 176.300 -0.013 0.000 1.370 774 R CA -0.184 55.905 56.100 -0.019 0.000 1.482 774 R CB 0.272 30.562 30.300 -0.016 0.000 1.220 774 R HN 0.511 nan 8.270 nan 0.000 0.622 775 L N -0.198 121.023 121.223 -0.004 0.000 2.197 775 L HA -0.184 4.153 4.340 -0.004 0.000 0.215 775 L C 1.631 178.524 176.870 0.039 0.000 1.095 775 L CA 1.376 56.226 54.840 0.017 0.000 0.764 775 L CB -0.397 41.669 42.059 0.011 0.000 0.897 775 L HN 0.343 nan 8.230 nan 0.000 0.436 776 E N 1.722 121.943 120.200 0.035 0.000 2.445 776 E HA 0.223 4.570 4.350 -0.004 0.000 0.189 776 E C 0.808 177.452 176.600 0.074 0.000 1.069 776 E CA 0.361 56.792 56.400 0.051 0.000 0.871 776 E CB -0.234 29.489 29.700 0.039 0.000 0.991 776 E HN 0.545 nan 8.360 nan 0.000 0.481 777 A N 1.484 124.352 122.820 0.079 0.000 2.292 777 A HA 0.231 4.548 4.320 -0.004 0.000 0.265 777 A C 0.417 178.131 177.584 0.218 0.000 1.133 777 A CA -0.414 51.699 52.037 0.127 0.000 0.807 777 A CB 0.389 19.417 19.000 0.048 0.000 1.102 777 A HN 0.020 nan 8.150 nan 0.000 0.502 778 K N 0.460 121.065 120.400 0.342 0.000 2.350 778 K HA 0.071 4.389 4.320 -0.004 0.000 0.279 778 K C 0.954 177.829 176.600 0.458 0.000 1.027 778 K CA 0.195 56.691 56.287 0.348 0.000 0.969 778 K CB 0.741 33.441 32.500 0.334 0.000 0.954 778 K HN 0.762 nan 8.250 nan 0.000 0.474 779 E N 0.544 120.954 120.200 0.351 0.000 2.171 779 E HA -0.149 4.199 4.350 -0.004 0.000 0.197 779 E C 0.430 177.364 176.600 0.557 0.000 0.997 779 E CA 1.048 57.709 56.400 0.434 0.000 0.810 779 E CB 0.191 30.093 29.700 0.336 0.000 0.738 779 E HN 0.398 nan 8.360 nan 0.000 0.467 780 S N -1.548 114.361 115.700 0.347 0.000 2.564 780 S HA 0.213 4.681 4.470 -0.004 0.000 0.274 780 S C 0.862 175.138 174.600 -0.540 0.000 1.124 780 S CA -0.816 57.398 58.200 0.023 0.000 0.869 780 S CB 1.821 65.131 63.200 0.184 0.000 1.105 780 S HN -0.071 nan 8.310 nan 0.000 0.472 781 V N 3.275 122.498 119.914 -1.152 0.000 2.324 781 V HA -0.180 3.937 4.120 -0.004 0.000 0.250 781 V C 1.664 177.504 176.094 -0.423 0.000 1.060 781 V CA 2.142 63.697 62.300 -1.242 0.000 1.042 781 V CB -1.455 29.947 31.823 -0.702 0.000 0.650 781 V HN 0.972 nan 8.190 nan 0.000 0.450 782 H N -0.598 118.324 119.070 -0.248 0.000 2.566 782 H HA 0.175 4.728 4.556 -0.004 0.000 0.277 782 H C 1.483 176.799 175.328 -0.020 0.000 1.046 782 H CA 0.149 56.140 56.048 -0.095 0.000 1.172 782 H CB -0.067 29.698 29.762 0.005 0.000 1.319 782 H HN 0.360 nan 8.280 nan 0.000 0.621 783 L N -0.423 120.805 121.223 0.009 0.000 2.920 783 L HA 0.327 4.664 4.340 -0.004 0.000 0.257 783 L C 1.078 177.952 176.870 0.007 0.000 1.150 783 L CA -0.327 54.536 54.840 0.037 0.000 0.959 783 L CB 0.526 42.626 42.059 0.069 0.000 1.321 783 L HN 0.166 nan 8.230 nan 0.000 0.555 784 A N -0.158 122.610 122.820 -0.087 0.000 2.296 784 A HA 0.329 4.646 4.320 -0.004 0.000 0.264 784 A C -0.566 177.024 177.584 0.010 0.000 1.097 784 A CA -0.238 51.769 52.037 -0.049 0.000 0.811 784 A CB 0.260 19.125 19.000 -0.225 0.000 1.072 784 A HN 0.080 nan 8.150 nan 0.000 0.495 785 D N 0.154 120.581 120.400 0.044 0.000 2.181 785 D HA 0.138 4.775 4.640 -0.004 0.000 0.248 785 D C -0.385 175.967 176.300 0.087 0.000 1.020 785 D CA -0.070 53.969 54.000 0.064 0.000 0.891 785 D CB 0.830 41.663 40.800 0.055 0.000 1.187 785 D HN 0.643 nan 8.370 nan 0.000 0.443 786 W N 4.036 125.297 121.300 -0.065 0.000 2.264 786 W HA 0.071 4.728 4.660 -0.004 0.000 0.331 786 W C -2.054 174.454 176.519 -0.020 0.000 1.364 786 W CA -1.044 56.273 57.345 -0.048 0.000 1.253 786 W CB 0.538 29.946 29.460 -0.086 0.000 1.215 786 W HN 0.242 nan 8.180 nan 0.000 0.561 787 P HA 0.095 nan 4.420 nan 0.000 0.274 787 P C -1.325 175.878 177.300 -0.162 0.000 1.264 787 P CA 0.573 63.484 63.100 -0.314 0.000 0.795 787 P CB 0.947 32.401 31.700 -0.409 0.000 1.064 788 E N -1.168 118.982 120.200 -0.084 0.000 2.321 788 E HA 0.490 4.838 4.350 -0.004 0.000 0.278 788 E C -0.904 175.678 176.600 -0.029 0.000 0.902 788 E CA -0.985 55.411 56.400 -0.006 0.000 0.758 788 E CB 2.287 32.005 29.700 0.030 0.000 1.213 788 E HN 0.523 nan 8.360 nan 0.000 0.426 789 A N 2.129 124.941 122.820 -0.013 0.000 2.531 789 A HA 0.097 4.415 4.320 -0.004 0.000 0.236 789 A C -0.192 177.384 177.584 -0.012 0.000 1.062 789 A CA 0.289 52.312 52.037 -0.023 0.000 0.760 789 A CB 0.156 19.151 19.000 -0.009 0.000 0.995 789 A HN 0.579 nan 8.150 nan 0.000 0.501 790 D N 1.840 122.229 120.400 -0.018 0.000 2.349 790 D HA 0.485 5.122 4.640 -0.004 0.000 0.232 790 D C -2.053 174.247 176.300 -0.000 0.000 1.071 790 D CA -1.886 52.109 54.000 -0.007 0.000 0.832 790 D CB 1.356 42.150 40.800 -0.011 0.000 1.086 790 D HN 0.114 nan 8.370 nan 0.000 0.504 791 P HA -0.021 nan 4.420 nan 0.000 0.234 791 P C 0.403 177.712 177.300 0.015 0.000 1.162 791 P CA 0.623 63.731 63.100 0.012 0.000 0.759 791 P CB 0.322 32.030 31.700 0.014 0.000 0.813 792 A N -1.453 121.375 122.820 0.013 0.000 2.169 792 A HA 0.120 4.437 4.320 -0.004 0.000 0.210 792 A C 1.722 179.317 177.584 0.018 0.000 1.168 792 A CA 0.592 52.639 52.037 0.017 0.000 0.813 792 A CB -0.655 18.354 19.000 0.016 0.000 0.861 792 A HN 0.159 nan 8.150 nan 0.000 0.481 793 L N -1.114 120.116 121.223 0.011 0.000 2.638 793 L HA 0.330 4.668 4.340 -0.004 0.000 0.232 793 L C 1.316 178.193 176.870 0.012 0.000 1.099 793 L CA 0.054 54.900 54.840 0.010 0.000 0.883 793 L CB -0.158 41.897 42.059 -0.007 0.000 1.136 793 L HN 0.278 nan 8.230 nan 0.000 0.492 794 A N 0.539 123.367 122.820 0.013 0.000 2.448 794 A HA 0.202 4.519 4.320 -0.004 0.000 0.239 794 A C -0.058 177.550 177.584 0.040 0.000 1.080 794 A CA 0.498 52.547 52.037 0.020 0.000 0.779 794 A CB 0.180 19.191 19.000 0.018 0.000 1.026 794 A HN 0.275 nan 8.150 nan 0.000 0.499 795 D N 0.504 120.936 120.400 0.054 0.000 2.492 795 D HA 0.074 4.711 4.640 -0.004 0.000 0.229 795 D C 0.397 176.750 176.300 0.088 0.000 1.345 795 D CA -0.309 53.735 54.000 0.073 0.000 0.912 795 D CB 0.458 41.315 40.800 0.095 0.000 1.526 795 D HN 0.507 nan 8.370 nan 0.000 0.505 796 E N 1.847 122.089 120.200 0.070 0.000 2.049 796 E HA -0.162 4.186 4.350 -0.004 0.000 0.198 796 E C 1.890 178.538 176.600 0.081 0.000 1.007 796 E CA 2.180 58.622 56.400 0.070 0.000 0.809 796 E CB 0.084 29.815 29.700 0.052 0.000 0.749 796 E HN 0.555 nan 8.360 nan 0.000 0.450 797 A N 0.443 123.307 122.820 0.073 0.000 1.834 797 A HA -0.203 4.114 4.320 -0.004 0.000 0.216 797 A C 2.246 179.884 177.584 0.089 0.000 1.203 797 A CA 1.818 53.897 52.037 0.069 0.000 0.621 797 A CB -1.276 17.758 19.000 0.057 0.000 0.841 797 A HN 0.377 nan 8.150 nan 0.000 0.446 798 L N 0.121 121.411 121.223 0.112 0.000 2.064 798 L HA -0.199 4.139 4.340 -0.004 0.000 0.216 798 L C 2.356 179.350 176.870 0.208 0.000 1.077 798 L CA 2.413 57.342 54.840 0.148 0.000 0.766 798 L CB -0.675 41.502 42.059 0.195 0.000 0.890 798 L HN 0.176 nan 8.230 nan 0.000 0.435 799 V N -0.142 119.927 119.914 0.258 0.000 2.407 799 V HA -0.292 3.826 4.120 -0.004 0.000 0.248 799 V C 2.758 178.975 176.094 0.205 0.000 1.055 799 V CA 1.642 64.140 62.300 0.331 0.000 1.049 799 V CB -1.366 30.599 31.823 0.236 0.000 0.662 799 V HN 0.667 nan 8.190 nan 0.000 0.455 800 A N 0.781 123.675 122.820 0.123 0.000 1.841 800 A HA -0.273 4.044 4.320 -0.004 0.000 0.214 800 A C 2.259 179.863 177.584 0.033 0.000 1.195 800 A CA 1.862 53.942 52.037 0.072 0.000 0.611 800 A CB -0.601 18.433 19.000 0.055 0.000 0.835 800 A HN 0.720 nan 8.150 nan 0.000 0.443 801 Q N -1.637 118.176 119.800 0.022 0.000 2.170 801 Q HA -0.174 4.164 4.340 -0.004 0.000 0.203 801 Q C 1.879 177.834 176.000 -0.074 0.000 0.976 801 Q CA 1.791 57.583 55.803 -0.018 0.000 0.858 801 Q CB -0.513 28.221 28.738 -0.008 0.000 0.907 801 Q HN 0.511 nan 8.270 nan 0.000 0.433 802 M N 1.230 120.767 119.600 -0.105 0.000 2.254 802 M HA -0.036 4.441 4.480 -0.004 0.000 0.265 802 M C 2.161 178.314 176.300 -0.245 0.000 1.066 802 M CA 1.486 56.619 55.300 -0.278 0.000 1.123 802 M CB -0.181 32.063 32.600 -0.592 0.000 1.388 802 M HN 0.169 nan 8.290 nan 0.000 0.425 803 R N -0.284 120.168 120.500 -0.080 0.000 2.075 803 R HA -0.084 4.253 4.340 -0.004 0.000 0.232 803 R C 1.963 178.201 176.300 -0.104 0.000 1.126 803 R CA 1.511 57.580 56.100 -0.052 0.000 0.963 803 R CB -0.445 29.875 30.300 0.032 0.000 0.858 803 R HN 0.453 nan 8.270 nan 0.000 0.435 804 A N 0.465 123.233 122.820 -0.087 0.000 1.908 804 A HA -0.118 4.199 4.320 -0.004 0.000 0.218 804 A C 2.259 179.763 177.584 -0.134 0.000 1.181 804 A CA 1.709 53.695 52.037 -0.084 0.000 0.627 804 A CB -0.583 18.383 19.000 -0.056 0.000 0.818 804 A HN 0.228 nan 8.150 nan 0.000 0.445 805 V N 0.136 119.937 119.914 -0.189 0.000 2.255 805 V HA -0.289 3.828 4.120 -0.004 0.000 0.247 805 V C 2.541 178.413 176.094 -0.369 0.000 1.051 805 V CA 2.031 64.178 62.300 -0.255 0.000 1.018 805 V CB -0.924 30.720 31.823 -0.298 0.000 0.641 805 V HN 0.579 nan 8.190 nan 0.000 0.445 806 L N -0.604 120.333 121.223 -0.477 0.000 2.129 806 L HA -0.252 4.086 4.340 -0.004 0.000 0.212 806 L C 2.546 179.253 176.870 -0.271 0.000 1.087 806 L CA 1.700 56.241 54.840 -0.498 0.000 0.757 806 L CB -0.603 41.208 42.059 -0.413 0.000 0.896 806 L HN 0.352 nan 8.230 nan 0.000 0.434 807 K N -0.363 119.925 120.400 -0.186 0.000 1.963 807 K HA -0.152 4.165 4.320 -0.004 0.000 0.216 807 K C 1.960 178.497 176.600 -0.104 0.000 1.045 807 K CA 1.577 57.797 56.287 -0.112 0.000 0.954 807 K CB -0.599 31.853 32.500 -0.080 0.000 0.732 807 K HN -0.011 nan 8.250 nan 0.000 0.442 808 V N 1.593 121.446 119.914 -0.102 0.000 2.363 808 V HA -0.278 3.839 4.120 -0.004 0.000 0.254 808 V C 2.302 178.350 176.094 -0.077 0.000 1.074 808 V CA 1.789 64.043 62.300 -0.077 0.000 1.069 808 V CB -0.701 31.079 31.823 -0.072 0.000 0.659 808 V HN 0.163 nan 8.190 nan 0.000 0.455 809 V N -0.069 119.771 119.914 -0.123 0.000 2.358 809 V HA -0.233 3.884 4.120 -0.004 0.000 0.246 809 V C 2.244 178.303 176.094 -0.060 0.000 1.047 809 V CA 2.181 64.421 62.300 -0.099 0.000 1.035 809 V CB -0.662 31.044 31.823 -0.195 0.000 0.658 809 V HN 0.587 nan 8.190 nan 0.000 0.452 810 D N 0.010 120.367 120.400 -0.072 0.000 2.123 810 D HA -0.083 4.554 4.640 -0.004 0.000 0.200 810 D C 2.210 178.496 176.300 -0.023 0.000 0.976 810 D CA 0.884 54.861 54.000 -0.038 0.000 0.831 810 D CB -0.019 40.757 40.800 -0.040 0.000 0.974 810 D HN 0.227 nan 8.370 nan 0.000 0.469 811 L N 1.143 122.349 121.223 -0.029 0.000 2.046 811 L HA -0.117 4.221 4.340 -0.004 0.000 0.208 811 L C 2.580 179.443 176.870 -0.012 0.000 1.077 811 L CA 1.119 55.948 54.840 -0.018 0.000 0.747 811 L CB -1.458 40.588 42.059 -0.022 0.000 0.896 811 L HN -0.063 nan 8.230 nan 0.000 0.432 812 A N -0.081 122.731 122.820 -0.014 0.000 1.845 812 A HA -0.214 4.104 4.320 -0.004 0.000 0.215 812 A C 2.356 179.942 177.584 0.003 0.000 1.195 812 A CA 1.404 53.438 52.037 -0.005 0.000 0.616 812 A CB -0.482 18.516 19.000 -0.004 0.000 0.832 812 A HN 0.229 nan 8.150 nan 0.000 0.443 813 R N -0.060 120.443 120.500 0.005 0.000 2.249 813 R HA 0.003 4.340 4.340 -0.004 0.000 0.230 813 R C 2.064 178.371 176.300 0.012 0.000 1.121 813 R CA 1.223 57.332 56.100 0.014 0.000 0.997 813 R CB -0.684 29.628 30.300 0.020 0.000 0.867 813 R HN 0.554 nan 8.270 nan 0.000 0.465 814 A N 0.224 123.048 122.820 0.006 0.000 1.898 814 A HA 0.144 4.461 4.320 -0.004 0.000 0.214 814 A C 1.815 179.403 177.584 0.007 0.000 1.183 814 A CA 0.933 52.974 52.037 0.007 0.000 0.622 814 A CB -0.459 18.543 19.000 0.003 0.000 0.824 814 A HN 0.264 nan 8.150 nan 0.000 0.444 815 A N -0.521 122.302 122.820 0.005 0.000 2.081 815 A HA 0.148 4.466 4.320 -0.004 0.000 0.213 815 A C 1.067 178.656 177.584 0.008 0.000 1.374 815 A CA 0.507 52.547 52.037 0.006 0.000 1.203 815 A CB -0.769 18.233 19.000 0.004 0.000 0.786 815 A HN 0.404 nan 8.150 nan 0.000 0.535 816 R N -0.520 119.986 120.500 0.010 0.000 2.681 816 R HA 0.467 4.805 4.340 -0.004 0.000 0.277 816 R C 0.268 176.575 176.300 0.012 0.000 1.563 816 R CA 0.441 56.548 56.100 0.011 0.000 1.673 816 R CB 0.137 30.445 30.300 0.013 0.000 1.258 816 R HN 0.223 nan 8.270 nan 0.000 0.650 817 A N 1.564 124.390 122.820 0.010 0.000 2.430 817 A HA 0.221 4.539 4.320 -0.004 0.000 0.243 817 A C 0.017 177.607 177.584 0.010 0.000 1.254 817 A CA -0.015 52.028 52.037 0.011 0.000 0.914 817 A CB 0.298 19.303 19.000 0.010 0.000 0.998 817 A HN 0.235 nan 8.150 nan 0.000 0.515 818 K N 0.743 121.149 120.400 0.010 0.000 2.615 818 K HA 0.378 4.696 4.320 -0.004 0.000 0.249 818 K C -0.027 176.579 176.600 0.009 0.000 0.977 818 K CA -0.010 56.282 56.287 0.009 0.000 0.833 818 K CB 1.135 33.639 32.500 0.008 0.000 1.208 818 K HN 0.187 nan 8.250 nan 0.000 0.443 819 S N 1.820 117.526 115.700 0.009 0.000 2.536 819 S HA 0.328 4.796 4.470 -0.004 0.000 0.290 819 S C 0.662 175.267 174.600 0.009 0.000 1.302 819 S CA 0.446 58.652 58.200 0.010 0.000 1.037 819 S CB 0.253 63.459 63.200 0.009 0.000 0.804 819 S HN 1.281 nan 8.310 nan 0.000 0.506 820 G N 0.432 109.238 108.800 0.009 0.000 2.681 820 G HA2 0.372 4.330 3.960 -0.004 0.000 0.232 820 G HA3 0.372 4.330 3.960 -0.004 0.000 0.232 820 G C -0.865 174.040 174.900 0.010 0.000 3.566 820 G CA -0.132 44.974 45.100 0.009 0.000 0.726 820 G HN 1.320 nan 8.290 nan 0.000 0.465 821 V N 0.000 119.920 119.914 0.010 0.000 2.409 821 V HA 0.000 4.117 4.120 -0.004 0.000 0.244 821 V CA 0.000 62.306 62.300 0.010 0.000 1.235 821 V CB 0.000 31.830 31.823 0.011 0.000 1.184 821 V HN 0.000 nan 8.190 nan 0.000 0.556