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 2wrf_1_A DATA FIRST_RESID 7 DATA SEQUENCE IcVGYHSNNS TEKVDTILER NVTVTHAQDI LEKTHNGKLc KLNGIPPLEL DATA SEQUENCE GDcSIAGWLL GNPEcDRLLT VPEWSYIMEK ENPRNGLCYP GSFNDYEELK DATA SEQUENCE HLISSVTHFE KVKILPKDRW TQHTTTGGSQ GCAVFDNPSF FRNMVWLTKK DATA SEQUENCE GSNYPVAKGS YNNTSGEQML IIWGVHHPND ETEQRTLYQN VGAYVSVGTS DATA SEQUENCE TLNKRSLPEI ATRPEVNGQG GRMEFSWTIL DIWDTINFES TGNLIAPEYG DATA SEQUENCE FKISKRGSSG IMKTEGTLEN cETKcQTPLG AINTTLPFHN IHPLTIGEcP DATA SEQUENCE KYVKSERLVL ATGLRNVPQX XXXGLFGAIA GFIEGGWQGM VDGWYGYHHS DATA SEQUENCE NDQGSGYAAD KESTQKAFDG ITNKVNSVIE KMNTQFEAVG KEFSNLEKRL DATA SEQUENCE ENLNKKMEDG FLDVWTYNAE LLVLMENEMT LDFHDSNVKN LYDKVRMQLR DATA SEQUENCE DNVKELGNGc FEFYHKcDDE cMNSVKNGTY DYSKYEEESK 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 7 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 176.202 176.117 0.141 0.000 1.063 7 I CA 0.000 61.404 61.300 0.173 0.000 1.566 7 I CB 0.000 38.070 38.000 0.117 0.000 1.214 8 c N 6.084 124.796 118.600 0.188 0.000 2.396 8 c HA 0.689 5.259 4.570 0.000 0.000 0.321 8 c C -0.098 174.256 174.090 0.440 0.000 1.233 8 c CA -0.779 55.663 56.329 0.189 0.000 1.440 8 c CB 1.130 43.740 42.510 0.167 0.000 2.110 8 c HN 0.386 nan 8.230 nan 0.000 0.473 9 V N 2.931 123.040 119.914 0.325 0.000 2.607 9 V HA 0.899 5.019 4.120 0.000 0.000 0.289 9 V C 0.740 176.959 176.094 0.209 0.000 1.053 9 V CA 0.531 63.020 62.300 0.315 0.000 0.996 9 V CB 1.247 33.244 31.823 0.290 0.000 0.995 9 V HN 1.220 nan 8.190 nan 0.000 0.476 10 G N 2.483 111.212 108.800 -0.119 0.000 2.550 10 G HA2 0.665 4.625 3.960 0.000 0.000 0.293 10 G HA3 0.665 4.625 3.960 0.000 0.000 0.293 10 G C -1.786 172.596 174.900 -0.863 0.000 1.402 10 G CA -0.477 44.080 45.100 -0.906 0.000 0.784 10 G HN 0.755 nan 8.290 nan 0.000 0.482 11 Y N -1.607 118.123 120.300 -0.949 0.000 2.857 11 Y HA 0.834 5.384 4.550 0.000 0.000 0.318 11 Y C -0.228 175.381 175.900 -0.485 0.000 1.313 11 Y CA -1.708 56.099 58.100 -0.488 0.000 1.117 11 Y CB 0.618 38.912 38.460 -0.276 0.000 1.344 11 Y HN 0.790 nan 8.280 nan 0.000 0.525 12 H N 0.221 119.288 119.070 -0.005 0.000 2.472 12 H HA 0.772 5.328 4.556 0.000 0.000 0.335 12 H C -0.853 174.475 175.328 0.000 0.000 1.136 12 H CA 0.150 56.167 56.048 -0.050 0.000 1.264 12 H CB 0.974 30.741 29.762 0.010 0.000 1.486 12 H HN 1.096 nan 8.280 nan 0.000 0.517 13 S N 2.926 118.657 115.700 0.052 0.000 2.540 13 S HA 0.492 4.962 4.470 0.000 0.000 0.275 13 S C -1.018 173.650 174.600 0.114 0.000 1.123 13 S CA -0.961 57.337 58.200 0.162 0.000 0.907 13 S CB 1.206 64.423 63.200 0.028 0.000 1.081 13 S HN 0.853 nan 8.310 nan 0.000 0.476 14 N N -0.013 118.802 118.700 0.191 0.000 2.972 14 N HA 0.409 5.150 4.740 0.000 0.000 0.262 14 N C -1.237 174.294 175.510 0.035 0.000 1.478 14 N CA -1.052 52.088 53.050 0.150 0.000 0.841 14 N CB 0.018 38.690 38.487 0.308 0.000 1.512 14 N HN 0.250 nan 8.380 nan 0.000 0.548 15 N N -0.767 117.941 118.700 0.014 0.000 2.715 15 N HA 0.056 4.796 4.740 0.000 0.000 0.254 15 N C -0.621 174.868 175.510 -0.034 0.000 1.306 15 N CA 0.096 53.139 53.050 -0.011 0.000 0.956 15 N CB -0.485 37.997 38.487 -0.008 0.000 1.296 15 N HN 0.515 nan 8.380 nan 0.000 0.512 16 S N -0.835 114.832 115.700 -0.054 0.000 2.610 16 S HA 0.385 4.856 4.470 0.000 0.000 0.273 16 S C 1.251 175.812 174.600 -0.066 0.000 1.274 16 S CA -0.371 57.774 58.200 -0.091 0.000 1.023 16 S CB 0.675 63.779 63.200 -0.159 0.000 0.962 16 S HN 0.468 nan 8.310 nan 0.000 0.523 17 T N 0.262 114.777 114.554 -0.065 0.000 3.057 17 T HA 0.309 4.660 4.350 0.000 0.000 0.254 17 T C 0.146 174.818 174.700 -0.046 0.000 0.965 17 T CA -0.383 61.689 62.100 -0.047 0.000 0.978 17 T CB -0.544 68.302 68.868 -0.035 0.000 1.169 17 T HN 0.635 nan 8.240 nan 0.000 0.489 18 E N 2.096 122.265 120.200 -0.051 0.000 2.966 18 E HA -0.006 4.344 4.350 0.000 0.000 0.254 18 E C -0.610 175.968 176.600 -0.036 0.000 0.923 18 E CA 0.711 57.088 56.400 -0.038 0.000 0.960 18 E CB 0.311 29.991 29.700 -0.033 0.000 0.901 18 E HN 0.273 nan 8.360 nan 0.000 0.525 19 K N 3.236 123.618 120.400 -0.030 0.000 2.527 19 K HA 0.151 4.471 4.320 0.000 0.000 0.240 19 K C -0.453 176.129 176.600 -0.030 0.000 0.989 19 K CA -0.484 55.784 56.287 -0.031 0.000 0.985 19 K CB 0.873 33.356 32.500 -0.029 0.000 1.221 19 K HN 0.332 nan 8.250 nan 0.000 0.458 20 V N -0.495 119.401 119.914 -0.031 0.000 3.214 20 V HA 0.545 4.665 4.120 0.000 0.000 0.306 20 V C -0.405 175.666 176.094 -0.037 0.000 1.078 20 V CA -0.301 61.979 62.300 -0.033 0.000 1.077 20 V CB 1.338 33.142 31.823 -0.032 0.000 1.121 20 V HN 0.548 nan 8.190 nan 0.000 0.468 21 D N 0.497 120.873 120.400 -0.040 0.000 2.252 21 D HA 0.695 5.335 4.640 0.000 0.000 0.245 21 D C 0.028 176.299 176.300 -0.047 0.000 1.009 21 D CA -0.005 53.970 54.000 -0.042 0.000 0.870 21 D CB 1.929 42.705 40.800 -0.040 0.000 1.251 21 D HN 1.128 nan 8.370 nan 0.000 0.460 22 T N -2.084 112.441 114.554 -0.048 0.000 2.910 22 T HA 0.342 4.693 4.350 0.000 0.000 0.287 22 T C 0.662 175.332 174.700 -0.051 0.000 1.050 22 T CA -0.849 61.219 62.100 -0.053 0.000 1.011 22 T CB 0.929 69.764 68.868 -0.055 0.000 1.195 22 T HN 0.340 nan 8.240 nan 0.000 0.540 23 I N 0.281 120.818 120.570 -0.055 0.000 3.564 23 I HA 0.248 4.418 4.170 0.000 0.000 0.294 23 I C 0.473 176.563 176.117 -0.044 0.000 1.289 23 I CA 0.527 61.796 61.300 -0.051 0.000 1.325 23 I CB -0.715 37.251 38.000 -0.057 0.000 1.039 23 I HN 0.639 nan 8.210 nan 0.000 0.474 24 L N -0.216 120.979 121.223 -0.046 0.000 2.526 24 L HA 0.309 4.649 4.340 0.000 0.000 0.210 24 L C 0.645 177.491 176.870 -0.039 0.000 1.048 24 L CA 0.217 55.031 54.840 -0.043 0.000 0.852 24 L CB 0.608 42.637 42.059 -0.050 0.000 1.128 24 L HN 0.137 nan 8.230 nan 0.000 0.482 25 E N 0.532 120.708 120.200 -0.041 0.000 2.304 25 E HA 0.290 4.640 4.350 0.000 0.000 0.277 25 E C -1.144 175.433 176.600 -0.038 0.000 0.898 25 E CA -0.643 55.734 56.400 -0.038 0.000 0.764 25 E CB 1.994 31.670 29.700 -0.040 0.000 1.216 25 E HN -0.010 nan 8.360 nan 0.000 0.419 26 R N 2.185 122.666 120.500 -0.033 0.000 2.691 26 R HA 0.408 4.748 4.340 0.000 0.000 0.259 26 R C 0.220 176.501 176.300 -0.031 0.000 1.048 26 R CA -0.879 55.202 56.100 -0.032 0.000 1.086 26 R CB -0.312 29.971 30.300 -0.028 0.000 1.166 26 R HN 0.648 nan 8.270 nan 0.000 0.526 27 N N -1.568 117.114 118.700 -0.031 0.000 2.714 27 N HA -0.163 4.577 4.740 0.000 0.000 0.250 27 N C -0.732 174.759 175.510 -0.033 0.000 1.117 27 N CA 0.661 53.694 53.050 -0.029 0.000 0.719 27 N CB -1.328 37.143 38.487 -0.025 0.000 1.081 27 N HN 0.341 nan 8.380 nan 0.000 0.557 28 V N 0.845 120.737 119.914 -0.037 0.000 2.509 28 V HA -0.048 4.072 4.120 0.000 0.000 0.297 28 V C 1.189 177.257 176.094 -0.043 0.000 1.014 28 V CA 0.847 63.121 62.300 -0.042 0.000 1.127 28 V CB 0.722 32.516 31.823 -0.048 0.000 0.925 28 V HN 0.334 nan 8.190 nan 0.000 0.480 29 T N 4.979 119.507 114.554 -0.044 0.000 3.624 29 T HA 0.144 4.495 4.350 0.000 0.000 0.231 29 T C 0.394 175.061 174.700 -0.055 0.000 0.865 29 T CA -0.040 62.034 62.100 -0.045 0.000 0.926 29 T CB -0.732 68.113 68.868 -0.039 0.000 1.189 29 T HN 0.736 nan 8.240 nan 0.000 0.640 30 V N 0.720 120.600 119.914 -0.056 0.000 3.531 30 V HA -0.058 4.063 4.120 0.000 0.000 0.289 30 V C 1.552 177.600 176.094 -0.078 0.000 1.253 30 V CA 1.107 63.369 62.300 -0.063 0.000 1.362 30 V CB -0.074 31.724 31.823 -0.042 0.000 1.054 30 V HN 0.643 nan 8.190 nan 0.000 0.514 31 T N -0.767 113.739 114.554 -0.080 0.000 3.054 31 T HA 0.243 4.593 4.350 0.000 0.000 0.259 31 T C 0.425 174.898 174.700 -0.378 0.000 1.092 31 T CA 1.047 63.057 62.100 -0.150 0.000 1.121 31 T CB -0.457 68.383 68.868 -0.047 0.000 0.912 31 T HN 0.990 nan 8.240 nan 0.000 0.489 32 H N -0.209 118.841 119.070 -0.032 0.000 3.079 32 H HA 0.736 5.292 4.556 0.000 0.000 0.356 32 H C -0.991 174.340 175.328 0.006 0.000 1.221 32 H CA -0.419 55.635 56.048 0.010 0.000 1.185 32 H CB 1.933 31.744 29.762 0.081 0.000 1.882 32 H HN 0.425 nan 8.280 nan 0.000 0.543 33 A N 1.724 124.621 122.820 0.128 0.000 2.589 33 A HA 0.560 4.881 4.320 0.000 0.000 0.296 33 A C -1.459 176.165 177.584 0.067 0.000 1.062 33 A CA -0.711 51.370 52.037 0.073 0.000 0.686 33 A CB 2.110 21.126 19.000 0.026 0.000 1.282 33 A HN 0.581 nan 8.150 nan 0.000 0.404 34 Q N 0.539 120.370 119.800 0.052 0.000 2.301 34 Q HA 0.503 4.843 4.340 0.000 0.000 0.267 34 Q C -1.477 174.540 176.000 0.029 0.000 1.035 34 Q CA -0.635 55.193 55.803 0.042 0.000 0.856 34 Q CB 1.785 30.549 28.738 0.043 0.000 1.337 34 Q HN 0.707 nan 8.270 nan 0.000 0.450 35 D N 2.181 122.598 120.400 0.027 0.000 2.193 35 D HA 0.221 4.862 4.640 0.000 0.000 0.244 35 D C 0.644 176.969 176.300 0.041 0.000 1.064 35 D CA -0.388 53.627 54.000 0.025 0.000 0.845 35 D CB 1.094 41.906 40.800 0.020 0.000 1.148 35 D HN 0.632 nan 8.370 nan 0.000 0.464 36 I N 0.770 121.372 120.570 0.054 0.000 3.645 36 I HA 0.191 4.361 4.170 0.000 0.000 0.300 36 I C 0.594 176.803 176.117 0.153 0.000 1.260 36 I CA -0.225 61.140 61.300 0.108 0.000 1.365 36 I CB 0.026 38.121 38.000 0.158 0.000 1.077 36 I HN 0.141 nan 8.210 nan 0.000 0.439 37 L N 3.048 124.329 121.223 0.096 0.000 2.295 37 L HA 0.341 4.681 4.340 0.000 0.000 0.288 37 L C 0.268 177.193 176.870 0.092 0.000 1.079 37 L CA -0.244 54.656 54.840 0.101 0.000 0.830 37 L CB 0.095 42.164 42.059 0.016 0.000 1.200 37 L HN 0.120 nan 8.230 nan 0.000 0.438 38 E N 4.484 124.756 120.200 0.121 0.000 2.415 38 E HA 0.092 4.443 4.350 0.000 0.000 0.262 38 E C -0.184 176.489 176.600 0.122 0.000 1.038 38 E CA 0.712 57.177 56.400 0.108 0.000 0.921 38 E CB 0.599 30.370 29.700 0.117 0.000 0.950 38 E HN 0.526 nan 8.360 nan 0.000 0.438 39 K N 1.374 121.833 120.400 0.099 0.000 2.722 39 K HA 0.138 4.459 4.320 0.000 0.000 0.174 39 K C -1.269 175.398 176.600 0.112 0.000 1.173 39 K CA 0.015 56.363 56.287 0.102 0.000 1.143 39 K CB 0.766 33.308 32.500 0.070 0.000 0.850 39 K HN 0.474 nan 8.250 nan 0.000 0.477 40 T N 0.266 114.885 114.554 0.107 0.000 2.971 40 T HA 0.374 4.724 4.350 0.000 0.000 0.304 40 T C -1.891 172.872 174.700 0.104 0.000 1.038 40 T CA -0.604 61.548 62.100 0.087 0.000 1.007 40 T CB 0.632 69.510 68.868 0.016 0.000 1.055 40 T HN 0.425 nan 8.240 nan 0.000 0.451 41 H N 2.353 121.406 119.070 -0.029 0.000 2.667 41 H HA 0.567 5.123 4.556 0.000 0.000 0.353 41 H C 0.858 176.162 175.328 -0.041 0.000 1.072 41 H CA -0.972 55.049 56.048 -0.046 0.000 1.214 41 H CB 0.791 30.516 29.762 -0.062 0.000 1.600 41 H HN 0.302 nan 8.280 nan 0.000 0.527 42 N N 2.470 121.154 118.700 -0.028 0.000 2.389 42 N HA -0.183 4.558 4.740 0.000 0.000 0.194 42 N C 1.778 177.239 175.510 -0.082 0.000 1.008 42 N CA 1.883 54.898 53.050 -0.058 0.000 0.898 42 N CB -0.483 37.993 38.487 -0.018 0.000 0.957 42 N HN 1.092 nan 8.380 nan 0.000 0.447 43 G N -0.720 108.042 108.800 -0.062 0.000 2.205 43 G HA2 -0.349 3.611 3.960 0.000 0.000 0.269 43 G HA3 -0.349 3.611 3.960 0.000 0.000 0.269 43 G C 0.263 175.175 174.900 0.020 0.000 0.977 43 G CA 1.100 46.196 45.100 -0.007 0.000 0.652 43 G HN 0.439 nan 8.290 nan 0.000 0.539 44 K N -1.068 119.340 120.400 0.014 0.000 2.258 44 K HA 0.788 5.108 4.320 0.000 0.000 0.236 44 K C -0.671 175.938 176.600 0.014 0.000 1.008 44 K CA -0.991 55.299 56.287 0.005 0.000 0.869 44 K CB 1.831 34.329 32.500 -0.004 0.000 1.171 44 K HN 0.052 nan 8.250 nan 0.000 0.447 45 L N 1.622 122.854 121.223 0.015 0.000 2.345 45 L HA 0.323 4.663 4.340 0.000 0.000 0.274 45 L C -0.918 175.983 176.870 0.052 0.000 0.999 45 L CA -0.439 54.423 54.840 0.036 0.000 0.849 45 L CB 1.074 43.151 42.059 0.031 0.000 1.220 45 L HN 0.688 nan 8.230 nan 0.000 0.422 46 c N 1.293 119.938 118.600 0.075 0.000 2.768 46 c HA 0.513 5.084 4.570 0.000 0.000 0.411 46 c C -0.014 174.162 174.090 0.144 0.000 1.793 46 c CA -1.087 55.286 56.329 0.073 0.000 1.747 46 c CB 1.769 44.304 42.510 0.041 0.000 2.128 46 c HN 0.606 nan 8.230 nan 0.000 0.472 47 K N 0.782 121.250 120.400 0.114 0.000 2.205 47 K HA 0.508 4.828 4.320 0.000 0.000 0.279 47 K C -0.708 175.995 176.600 0.172 0.000 1.027 47 K CA -0.301 56.081 56.287 0.158 0.000 0.932 47 K CB 0.570 33.125 32.500 0.092 0.000 1.032 47 K HN 0.293 nan 8.250 nan 0.000 0.466 48 L N 2.432 123.817 121.223 0.271 0.000 2.472 48 L HA 0.029 4.369 4.340 0.000 0.000 0.260 48 L C -0.324 176.628 176.870 0.137 0.000 1.209 48 L CA 0.158 55.094 54.840 0.160 0.000 0.817 48 L CB 0.160 42.341 42.059 0.204 0.000 1.106 48 L HN 0.546 nan 8.230 nan 0.000 0.479 49 N N 2.909 121.671 118.700 0.103 0.000 1.857 49 N HA 0.031 4.771 4.740 0.000 0.000 0.282 49 N C 0.850 176.410 175.510 0.082 0.000 1.312 49 N CA 1.220 54.321 53.050 0.084 0.000 0.994 49 N CB -0.491 38.053 38.487 0.095 0.000 1.369 49 N HN 0.890 nan 8.380 nan 0.000 0.479 50 G N 0.645 109.485 108.800 0.066 0.000 3.757 50 G HA2 -0.306 3.654 3.960 0.000 0.000 0.215 50 G HA3 -0.306 3.654 3.960 0.000 0.000 0.215 50 G C 0.254 175.192 174.900 0.063 0.000 1.411 50 G CA 0.175 45.309 45.100 0.056 0.000 0.896 50 G HN 0.442 nan 8.290 nan 0.000 0.581 51 I N 2.731 123.350 120.570 0.082 0.000 2.834 51 I HA 0.576 4.746 4.170 0.000 0.000 0.305 51 I C -2.158 174.017 176.117 0.097 0.000 1.008 51 I CA -2.560 58.791 61.300 0.086 0.000 1.273 51 I CB 0.324 38.380 38.000 0.094 0.000 1.432 51 I HN 0.147 nan 8.210 nan 0.000 0.557 52 P HA 0.532 nan 4.420 nan 0.000 0.287 52 P C -2.813 174.439 177.300 -0.080 0.000 1.292 52 P CA -2.003 61.102 63.100 0.008 0.000 0.879 52 P CB 0.583 32.271 31.700 -0.020 0.000 1.214 53 P HA 0.255 nan 4.420 nan 0.000 0.279 53 P C -0.694 176.295 177.300 -0.519 0.000 1.282 53 P CA -0.348 62.327 63.100 -0.708 0.000 0.788 53 P CB 0.332 31.221 31.700 -1.352 0.000 1.139 54 L N 0.305 121.046 121.223 -0.803 0.000 2.334 54 L HA 0.291 4.631 4.340 0.000 0.000 0.277 54 L C 0.107 176.536 176.870 -0.734 0.000 1.075 54 L CA 0.110 54.374 54.840 -0.959 0.000 0.804 54 L CB 0.241 41.256 42.059 -1.739 0.000 1.174 54 L HN 0.286 nan 8.230 nan 0.000 0.438 55 E N 5.291 125.134 120.200 -0.596 0.000 2.171 55 E HA 0.363 4.713 4.350 0.000 0.000 0.271 55 E C -0.722 175.590 176.600 -0.480 0.000 0.916 55 E CA -0.349 55.781 56.400 -0.450 0.000 0.774 55 E CB 1.573 31.092 29.700 -0.303 0.000 1.128 55 E HN 0.536 nan 8.360 nan 0.000 0.403 56 L N 2.685 123.667 121.223 -0.402 0.000 3.209 56 L HA 0.271 4.611 4.340 0.000 0.000 0.279 56 L C 1.300 178.047 176.870 -0.204 0.000 1.301 56 L CA -0.556 54.071 54.840 -0.354 0.000 1.004 56 L CB -0.035 41.804 42.059 -0.366 0.000 1.402 56 L HN 0.850 nan 8.230 nan 0.000 0.577 57 G N 2.314 111.008 108.800 -0.176 0.000 3.271 57 G HA2 -0.407 3.554 3.960 0.000 0.000 0.325 57 G HA3 -0.407 3.554 3.960 0.000 0.000 0.325 57 G C 0.367 175.215 174.900 -0.086 0.000 0.911 57 G CA 1.378 46.410 45.100 -0.113 0.000 0.762 57 G HN 0.680 nan 8.290 nan 0.000 1.141 58 D N -0.250 120.116 120.400 -0.057 0.000 3.018 58 D HA 0.476 5.116 4.640 0.000 0.000 0.331 58 D C 0.158 176.446 176.300 -0.021 0.000 1.334 58 D CA -0.565 53.413 54.000 -0.037 0.000 0.900 58 D CB -0.241 40.548 40.800 -0.019 0.000 1.059 58 D HN 0.381 nan 8.370 nan 0.000 0.498 59 c N 0.170 118.748 118.600 -0.035 0.000 2.604 59 c HA 0.875 5.445 4.570 0.000 0.000 0.416 59 c C 0.437 174.523 174.090 -0.007 0.000 1.566 59 c CA -0.314 56.014 56.329 -0.000 0.000 1.812 59 c CB 1.488 44.011 42.510 0.022 0.000 2.028 59 c HN 0.640 nan 8.230 nan 0.000 0.489 60 S N -0.144 115.578 115.700 0.036 0.000 2.667 60 S HA 0.525 4.995 4.470 0.000 0.000 0.292 60 S C 0.643 175.301 174.600 0.096 0.000 1.126 60 S CA -0.502 57.724 58.200 0.043 0.000 0.881 60 S CB 0.588 63.832 63.200 0.073 0.000 1.132 60 S HN 0.494 nan 8.310 nan 0.000 0.492 61 I N 1.212 121.841 120.570 0.099 0.000 2.163 61 I HA -0.135 4.035 4.170 0.000 0.000 0.243 61 I C 2.893 179.074 176.117 0.107 0.000 1.085 61 I CA 2.154 63.546 61.300 0.153 0.000 1.347 61 I CB -2.016 35.968 38.000 -0.027 0.000 1.044 61 I HN 0.890 nan 8.210 nan 0.000 0.408 62 A N 0.826 123.681 122.820 0.059 0.000 1.877 62 A HA -0.104 4.216 4.320 0.000 0.000 0.216 62 A C 2.520 180.033 177.584 -0.119 0.000 1.186 62 A CA 1.910 53.854 52.037 -0.155 0.000 0.620 62 A CB -1.396 17.402 19.000 -0.337 0.000 0.822 62 A HN 0.422 nan 8.150 nan 0.000 0.443 63 G N -1.212 107.569 108.800 -0.032 0.000 2.446 63 G HA2 -0.311 3.649 3.960 0.000 0.000 0.217 63 G HA3 -0.311 3.649 3.960 0.000 0.000 0.217 63 G C 1.411 176.334 174.900 0.038 0.000 1.168 63 G CA 1.293 46.398 45.100 0.009 0.000 0.771 63 G HN 0.788 nan 8.290 nan 0.000 0.551 64 W N 1.121 122.361 121.300 -0.100 0.000 2.355 64 W HA 0.035 4.695 4.660 0.000 0.000 0.309 64 W C 2.103 178.577 176.519 -0.076 0.000 1.206 64 W CA 1.198 58.487 57.345 -0.093 0.000 1.284 64 W CB -0.547 28.826 29.460 -0.144 0.000 1.145 64 W HN 0.130 nan 8.180 nan 0.000 0.502 65 L N 0.287 121.180 121.223 -0.550 0.000 2.093 65 L HA -0.183 4.157 4.340 0.000 0.000 0.208 65 L C 2.635 179.305 176.870 -0.333 0.000 1.085 65 L CA 1.179 55.560 54.840 -0.765 0.000 0.755 65 L CB -0.642 41.000 42.059 -0.695 0.000 0.904 65 L HN 0.092 nan 8.230 nan 0.000 0.435 66 L N -1.145 119.885 121.223 -0.322 0.000 2.049 66 L HA 0.051 4.391 4.340 0.000 0.000 0.203 66 L C 1.287 178.068 176.870 -0.148 0.000 1.074 66 L CA 1.064 55.659 54.840 -0.409 0.000 0.749 66 L CB -0.396 41.069 42.059 -0.991 0.000 0.907 66 L HN 0.447 nan 8.230 nan 0.000 0.439 67 G N 0.188 108.967 108.800 -0.035 0.000 2.247 67 G HA2 -0.197 3.764 3.960 0.000 0.000 0.111 67 G HA3 -0.197 3.764 3.960 0.000 0.000 0.111 67 G C -0.221 174.778 174.900 0.164 0.000 1.045 67 G CA -0.441 44.698 45.100 0.066 0.000 0.715 67 G HN 0.242 nan 8.290 nan 0.000 0.485 68 N N 0.777 119.613 118.700 0.226 0.000 2.357 68 N HA 0.149 4.889 4.740 0.000 0.000 0.257 68 N C -1.074 174.487 175.510 0.086 0.000 1.250 68 N CA -0.926 52.246 53.050 0.202 0.000 0.862 68 N CB 1.229 39.831 38.487 0.192 0.000 1.066 68 N HN 0.088 nan 8.380 nan 0.000 0.468 69 P HA 0.042 nan 4.420 nan 0.000 0.244 69 P C 0.094 177.399 177.300 0.009 0.000 1.211 69 P CA 0.687 63.790 63.100 0.004 0.000 0.760 69 P CB 0.407 32.082 31.700 -0.042 0.000 0.961 70 E N -2.000 118.217 120.200 0.029 0.000 2.460 70 E HA 0.054 4.404 4.350 0.000 0.000 0.200 70 E C 0.571 177.199 176.600 0.047 0.000 1.011 70 E CA 0.286 56.706 56.400 0.033 0.000 0.912 70 E CB -0.653 29.066 29.700 0.032 0.000 0.953 70 E HN 0.120 nan 8.360 nan 0.000 0.494 71 c N 1.607 120.249 118.600 0.069 0.000 2.396 71 c HA 0.197 4.767 4.570 0.000 0.000 0.334 71 c C 0.879 175.030 174.090 0.103 0.000 1.313 71 c CA -0.413 55.976 56.329 0.099 0.000 1.719 71 c CB -1.122 41.476 42.510 0.145 0.000 1.893 71 c HN 0.226 nan 8.230 nan 0.000 0.589 72 D N 1.073 121.514 120.400 0.068 0.000 2.350 72 D HA 0.019 4.659 4.640 0.000 0.000 0.213 72 D C 1.199 177.531 176.300 0.055 0.000 1.031 72 D CA 0.462 54.498 54.000 0.060 0.000 0.861 72 D CB 0.124 40.949 40.800 0.042 0.000 0.926 72 D HN 0.548 nan 8.370 nan 0.000 0.520 73 R N 0.890 121.417 120.500 0.046 0.000 3.301 73 R HA 0.451 4.791 4.340 0.000 0.000 0.286 73 R C -0.434 175.874 176.300 0.012 0.000 1.386 73 R CA -0.197 55.921 56.100 0.030 0.000 1.607 73 R CB 0.923 31.238 30.300 0.025 0.000 1.305 73 R HN 0.017 nan 8.270 nan 0.000 0.637 74 L N 1.022 122.256 121.223 0.019 0.000 2.549 74 L HA 0.441 4.781 4.340 0.000 0.000 0.259 74 L C -0.899 175.967 176.870 -0.007 0.000 0.934 74 L CA -0.716 54.114 54.840 -0.016 0.000 0.865 74 L CB 2.399 44.448 42.059 -0.017 0.000 1.352 74 L HN 0.350 nan 8.230 nan 0.000 0.410 75 L N 1.640 122.828 121.223 -0.060 0.000 2.283 75 L HA 0.491 4.831 4.340 0.000 0.000 0.287 75 L C 0.946 177.786 176.870 -0.049 0.000 1.073 75 L CA -0.032 54.786 54.840 -0.037 0.000 0.822 75 L CB 0.300 42.325 42.059 -0.056 0.000 1.186 75 L HN 0.677 nan 8.230 nan 0.000 0.436 76 T N 1.501 116.100 114.554 0.074 0.000 3.629 76 T HA 0.432 4.782 4.350 0.000 0.000 0.317 76 T C 0.300 175.135 174.700 0.225 0.000 1.690 76 T CA 0.123 62.334 62.100 0.184 0.000 1.276 76 T CB -0.291 68.827 68.868 0.417 0.000 1.205 76 T HN 1.772 nan 8.240 nan 0.000 0.824 77 V N 3.172 123.167 119.914 0.134 0.000 2.872 77 V HA 0.059 4.179 4.120 0.000 0.000 0.302 77 V C -1.043 175.257 176.094 0.343 0.000 1.166 77 V CA -0.632 61.781 62.300 0.188 0.000 1.298 77 V CB 0.627 32.525 31.823 0.126 0.000 0.894 77 V HN 0.423 nan 8.190 nan 0.000 0.509 78 P HA -0.073 nan 4.420 nan 0.000 0.217 78 P C -0.012 177.484 177.300 0.327 0.000 1.148 78 P CA 1.685 64.975 63.100 0.316 0.000 0.828 78 P CB 0.100 31.950 31.700 0.249 0.000 0.783 79 E N -1.502 118.873 120.200 0.291 0.000 2.380 79 E HA 0.346 4.696 4.350 0.000 0.000 0.281 79 E C -1.967 174.754 176.600 0.202 0.000 0.999 79 E CA -0.980 55.485 56.400 0.108 0.000 0.800 79 E CB 1.038 30.786 29.700 0.080 0.000 1.228 79 E HN 0.022 nan 8.360 nan 0.000 0.436 80 W N 1.987 123.277 121.300 -0.016 0.000 3.217 80 W HA 0.576 5.236 4.660 0.001 0.000 0.323 80 W C -0.142 176.354 176.519 -0.039 0.000 1.216 80 W CA -0.447 56.855 57.345 -0.071 0.000 1.194 80 W CB 0.702 30.057 29.460 -0.174 0.000 1.397 80 W HN 0.321 nan 8.180 nan 0.000 0.537 81 S N 1.039 116.889 115.700 0.250 0.000 2.345 81 S HA -0.039 4.431 4.470 0.000 0.000 0.220 81 S C 0.008 174.883 174.600 0.458 0.000 1.031 81 S CA 1.841 60.229 58.200 0.314 0.000 0.996 81 S CB -0.715 62.746 63.200 0.435 0.000 0.882 81 S HN 0.687 nan 8.310 nan 0.000 0.445 82 Y N -1.579 118.860 120.300 0.232 0.000 2.900 82 Y HA 0.751 5.301 4.550 0.000 0.000 0.318 82 Y C -1.370 174.543 175.900 0.022 0.000 1.457 82 Y CA -1.682 56.514 58.100 0.160 0.000 1.082 82 Y CB 0.758 39.260 38.460 0.070 0.000 1.419 82 Y HN -0.113 nan 8.280 nan 0.000 0.459 83 I N 3.347 123.867 120.570 -0.083 0.000 2.406 83 I HA 0.378 4.548 4.170 0.000 0.000 0.290 83 I C -0.789 175.181 176.117 -0.245 0.000 0.999 83 I CA -1.147 59.933 61.300 -0.366 0.000 1.124 83 I CB 1.873 39.684 38.000 -0.316 0.000 1.289 83 I HN 0.621 nan 8.210 nan 0.000 0.441 84 M N 5.534 124.917 119.600 -0.362 0.000 2.066 84 M HA 0.609 5.089 4.480 0.000 0.000 0.340 84 M C -0.798 175.361 176.300 -0.235 0.000 1.053 84 M CA -0.411 54.762 55.300 -0.212 0.000 0.983 84 M CB 1.486 33.991 32.600 -0.158 0.000 1.520 84 M HN 0.512 nan 8.290 nan 0.000 0.428 85 E N 3.299 123.398 120.200 -0.168 0.000 2.266 85 E HA 0.469 4.820 4.350 0.000 0.000 0.268 85 E C -1.197 175.346 176.600 -0.095 0.000 0.879 85 E CA -0.835 55.472 56.400 -0.155 0.000 0.762 85 E CB 2.399 32.004 29.700 -0.160 0.000 1.199 85 E HN 0.736 nan 8.360 nan 0.000 0.422 86 K N 1.786 122.140 120.400 -0.078 0.000 2.188 86 K HA -0.060 4.261 4.320 0.000 0.000 0.246 86 K C 0.867 177.447 176.600 -0.033 0.000 1.026 86 K CA -0.037 56.220 56.287 -0.050 0.000 0.871 86 K CB 0.446 32.922 32.500 -0.040 0.000 1.042 86 K HN 0.568 nan 8.250 nan 0.000 0.509 87 E N 1.604 121.792 120.200 -0.019 0.000 2.002 87 E HA -0.239 4.111 4.350 0.000 0.000 0.213 87 E C -0.324 176.276 176.600 -0.000 0.000 1.024 87 E CA 2.006 58.402 56.400 -0.007 0.000 0.876 87 E CB -0.219 29.481 29.700 0.001 0.000 0.799 87 E HN 0.633 nan 8.360 nan 0.000 0.497 88 N N 0.597 119.301 118.700 0.007 0.000 2.558 88 N HA 0.366 5.106 4.740 0.000 0.000 0.242 88 N C -2.684 172.834 175.510 0.013 0.000 0.979 88 N CA -1.642 51.418 53.050 0.017 0.000 0.931 88 N CB 1.266 39.768 38.487 0.026 0.000 1.122 88 N HN -0.041 nan 8.380 nan 0.000 0.508 89 P HA -0.063 nan 4.420 nan 0.000 0.272 89 P C 0.672 177.981 177.300 0.015 0.000 1.225 89 P CA -0.260 62.843 63.100 0.005 0.000 0.800 89 P CB 1.072 32.777 31.700 0.008 0.000 0.894 90 R N 0.425 120.933 120.500 0.013 0.000 2.055 90 R HA 0.045 4.385 4.340 0.000 0.000 0.221 90 R C 0.138 176.456 176.300 0.031 0.000 1.154 90 R CA 0.770 56.883 56.100 0.020 0.000 0.975 90 R CB -0.266 30.043 30.300 0.016 0.000 0.869 90 R HN 0.473 nan 8.270 nan 0.000 0.437 91 N N 0.511 119.231 118.700 0.033 0.000 2.555 91 N HA 0.147 4.888 4.740 0.000 0.000 0.244 91 N C -0.374 175.175 175.510 0.064 0.000 1.114 91 N CA -0.419 52.660 53.050 0.049 0.000 0.963 91 N CB 1.628 40.143 38.487 0.046 0.000 1.276 91 N HN 0.290 nan 8.380 nan 0.000 0.510 92 G N 0.838 109.683 108.800 0.076 0.000 3.271 92 G HA2 0.333 4.293 3.960 0.000 0.000 0.174 92 G HA3 0.333 4.293 3.960 0.000 0.000 0.174 92 G C -0.579 174.410 174.900 0.148 0.000 1.385 92 G CA -0.530 44.617 45.100 0.080 0.000 0.979 92 G HN 0.369 nan 8.290 nan 0.000 0.610 93 L N 1.723 123.039 121.223 0.156 0.000 2.385 93 L HA 0.293 4.634 4.340 0.000 0.000 0.281 93 L C 1.232 178.307 176.870 0.342 0.000 1.106 93 L CA -1.234 53.824 54.840 0.362 0.000 0.856 93 L CB -0.531 41.698 42.059 0.283 0.000 1.186 93 L HN 0.423 nan 8.230 nan 0.000 0.453 94 C N 1.186 120.658 119.300 0.287 0.000 2.455 94 C HA -0.112 4.348 4.460 0.000 0.000 0.281 94 C C 1.349 176.426 174.990 0.145 0.000 1.237 94 C CA -0.195 58.885 59.018 0.102 0.000 1.726 94 C CB -0.936 26.779 27.740 -0.041 0.000 2.068 94 C HN 0.685 nan 8.230 nan 0.000 0.466 95 Y N 4.133 124.449 120.300 0.025 0.000 2.632 95 Y HA 0.232 4.782 4.550 0.001 0.000 0.329 95 Y C -2.072 173.956 175.900 0.213 0.000 1.174 95 Y CA -1.880 56.303 58.100 0.139 0.000 1.469 95 Y CB -0.179 38.397 38.460 0.193 0.000 1.242 95 Y HN 0.224 nan 8.280 nan 0.000 0.540 96 P HA 0.289 nan 4.420 nan 0.000 0.268 96 P C -0.209 177.144 177.300 0.089 0.000 1.208 96 P CA 0.643 63.735 63.100 -0.014 0.000 0.777 96 P CB 0.714 32.323 31.700 -0.151 0.000 0.875 97 G N -0.196 108.662 108.800 0.097 0.000 2.343 97 G HA2 0.425 4.386 3.960 0.000 0.000 0.289 97 G HA3 0.425 4.386 3.960 0.000 0.000 0.289 97 G C -1.534 173.417 174.900 0.085 0.000 1.295 97 G CA -0.461 44.689 45.100 0.083 0.000 0.869 97 G HN 0.544 nan 8.290 nan 0.000 0.522 98 S N -1.013 114.718 115.700 0.052 0.000 2.568 98 S HA 0.814 5.284 4.470 0.000 0.000 0.302 98 S C -1.261 173.390 174.600 0.084 0.000 1.082 98 S CA -0.716 57.527 58.200 0.072 0.000 1.009 98 S CB 2.326 65.562 63.200 0.061 0.000 1.069 98 S HN 0.791 nan 8.310 nan 0.000 0.500 99 F N 1.914 121.860 119.950 -0.008 0.000 2.421 99 F HA 0.486 5.013 4.527 0.000 0.000 0.337 99 F C 0.206 176.061 175.800 0.091 0.000 1.105 99 F CA -0.870 57.132 58.000 0.003 0.000 1.049 99 F CB 1.372 40.203 39.000 -0.280 0.000 1.139 99 F HN 0.549 nan 8.300 nan 0.000 0.479 100 N N 3.781 122.744 118.700 0.439 0.000 2.438 100 N HA 0.147 4.887 4.740 0.000 0.000 0.282 100 N C -0.870 174.933 175.510 0.488 0.000 1.037 100 N CA -0.011 53.233 53.050 0.323 0.000 0.942 100 N CB 1.046 39.600 38.487 0.112 0.000 1.136 100 N HN 0.578 nan 8.380 nan 0.000 0.481 101 D N 1.320 121.936 120.400 0.360 0.000 2.723 101 D HA -0.252 4.388 4.640 0.000 0.000 0.236 101 D C 0.825 177.436 176.300 0.518 0.000 1.138 101 D CA 0.538 54.778 54.000 0.400 0.000 0.676 101 D CB -0.977 40.049 40.800 0.377 0.000 1.069 101 D HN 0.588 nan 8.370 nan 0.000 0.430 102 Y N 0.887 121.317 120.300 0.218 0.000 2.097 102 Y HA -0.212 4.338 4.550 0.000 0.000 0.282 102 Y C 2.066 177.910 175.900 -0.094 0.000 1.152 102 Y CA 2.447 60.526 58.100 -0.035 0.000 1.136 102 Y CB -0.152 38.277 38.460 -0.052 0.000 0.975 102 Y HN 0.056 nan 8.280 nan 0.000 0.498 103 E N 0.139 120.294 120.200 -0.075 0.000 2.085 103 E HA -0.194 4.156 4.350 0.000 0.000 0.194 103 E C 2.141 178.657 176.600 -0.140 0.000 0.994 103 E CA 1.514 57.787 56.400 -0.212 0.000 0.801 103 E CB -0.210 29.412 29.700 -0.130 0.000 0.743 103 E HN 0.434 nan 8.360 nan 0.000 0.453 104 E N 0.283 120.485 120.200 0.003 0.000 2.023 104 E HA -0.198 4.152 4.350 0.000 0.000 0.196 104 E C 2.152 178.773 176.600 0.035 0.000 1.003 104 E CA 0.904 57.346 56.400 0.069 0.000 0.809 104 E CB -0.477 29.362 29.700 0.231 0.000 0.755 104 E HN 0.189 nan 8.360 nan 0.000 0.449 105 L N 1.605 122.795 121.223 -0.055 0.000 2.083 105 L HA -0.146 4.194 4.340 0.000 0.000 0.209 105 L C 2.154 178.755 176.870 -0.448 0.000 1.083 105 L CA 1.833 56.304 54.840 -0.615 0.000 0.752 105 L CB -0.310 40.911 42.059 -1.396 0.000 0.899 105 L HN -0.028 nan 8.230 nan 0.000 0.433 106 K N -1.590 118.551 120.400 -0.431 0.000 2.097 106 K HA -0.221 4.100 4.320 0.000 0.000 0.205 106 K C 2.272 178.738 176.600 -0.223 0.000 1.050 106 K CA 1.105 57.121 56.287 -0.451 0.000 0.938 106 K CB -0.261 31.810 32.500 -0.714 0.000 0.718 106 K HN 0.528 nan 8.250 nan 0.000 0.442 107 H N 0.916 119.841 119.070 -0.243 0.000 2.457 107 H HA -0.105 4.451 4.556 0.000 0.000 0.294 107 H C 1.840 177.105 175.328 -0.106 0.000 1.064 107 H CA 1.327 57.283 56.048 -0.153 0.000 1.330 107 H CB 0.152 29.839 29.762 -0.125 0.000 1.395 107 H HN 0.226 nan 8.280 nan 0.000 0.541 108 L N 1.400 122.720 121.223 0.161 0.000 2.209 108 L HA 0.076 4.416 4.340 0.000 0.000 0.207 108 L C 1.933 178.790 176.870 -0.023 0.000 1.094 108 L CA 1.052 55.964 54.840 0.120 0.000 0.790 108 L CB -0.435 41.670 42.059 0.077 0.000 0.932 108 L HN 0.288 nan 8.230 nan 0.000 0.447 109 I N -2.409 118.115 120.570 -0.078 0.000 3.812 109 I HA 0.156 4.326 4.170 0.000 0.000 0.319 109 I C 1.851 178.032 176.117 0.108 0.000 1.353 109 I CA 0.506 61.784 61.300 -0.038 0.000 1.170 109 I CB -0.599 37.358 38.000 -0.071 0.000 1.057 109 I HN 0.258 nan 8.210 nan 0.000 0.411 110 S N 1.994 117.698 115.700 0.007 0.000 2.370 110 S HA -0.093 4.377 4.470 0.000 0.000 0.226 110 S C 0.912 175.617 174.600 0.176 0.000 1.033 110 S CA 1.394 59.611 58.200 0.029 0.000 1.011 110 S CB -0.142 62.956 63.200 -0.170 0.000 0.852 110 S HN 0.815 nan 8.310 nan 0.000 0.457 111 S N -0.391 115.275 115.700 -0.057 0.000 2.537 111 S HA 0.667 5.138 4.470 0.000 0.000 0.271 111 S C -0.931 173.353 174.600 -0.527 0.000 1.148 111 S CA -0.394 57.623 58.200 -0.305 0.000 0.868 111 S CB 1.763 64.900 63.200 -0.104 0.000 1.115 111 S HN 0.984 nan 8.310 nan 0.000 0.461 112 V N -2.057 117.358 119.914 -0.832 0.000 3.188 112 V HA 0.972 5.092 4.120 0.000 0.000 0.305 112 V C -0.455 175.404 176.094 -0.392 0.000 1.232 112 V CA -0.259 61.668 62.300 -0.621 0.000 1.043 112 V CB 1.500 32.821 31.823 -0.836 0.000 1.068 112 V HN 1.592 nan 8.190 nan 0.000 0.439 113 T N -0.825 113.630 114.554 -0.165 0.000 4.205 113 T HA 0.456 4.806 4.350 0.000 0.000 0.219 113 T C -0.379 174.377 174.700 0.094 0.000 0.975 113 T CA 0.026 62.105 62.100 -0.034 0.000 1.484 113 T CB -0.626 68.209 68.868 -0.055 0.000 0.805 113 T HN 1.714 nan 8.240 nan 0.000 0.616 114 H N 0.054 119.097 119.070 -0.045 0.000 3.436 114 H HA 0.826 5.382 4.556 0.000 0.000 0.312 114 H C -1.830 173.523 175.328 0.042 0.000 1.675 114 H CA -2.194 53.834 56.048 -0.032 0.000 1.361 114 H CB 0.934 30.709 29.762 0.020 0.000 1.731 114 H HN 0.238 nan 8.280 nan 0.000 0.732 115 F N 0.764 120.413 119.950 -0.501 0.000 2.659 115 F HA 0.375 4.902 4.527 0.000 0.000 0.342 115 F C -1.040 174.601 175.800 -0.264 0.000 1.168 115 F CA -0.383 57.400 58.000 -0.362 0.000 1.003 115 F CB 1.214 40.113 39.000 -0.168 0.000 1.267 115 F HN 0.725 nan 8.300 nan 0.000 0.463 116 E N 5.870 125.635 120.200 -0.726 0.000 2.248 116 E HA 0.286 4.636 4.350 0.000 0.000 0.267 116 E C -1.557 174.792 176.600 -0.418 0.000 0.877 116 E CA -0.917 55.229 56.400 -0.424 0.000 0.759 116 E CB 1.951 31.510 29.700 -0.234 0.000 1.182 116 E HN 0.636 nan 8.360 nan 0.000 0.418 117 K N 3.035 123.241 120.400 -0.323 0.000 2.201 117 K HA 0.367 4.687 4.320 0.000 0.000 0.278 117 K C -0.823 175.606 176.600 -0.285 0.000 1.027 117 K CA -0.593 55.411 56.287 -0.471 0.000 0.909 117 K CB 1.111 33.314 32.500 -0.495 0.000 1.062 117 K HN 0.367 nan 8.250 nan 0.000 0.465 118 V N 0.932 120.704 119.914 -0.235 0.000 2.686 118 V HA 0.417 4.537 4.120 0.000 0.000 0.306 118 V C -0.708 175.393 176.094 0.012 0.000 1.065 118 V CA -1.207 61.058 62.300 -0.059 0.000 0.894 118 V CB 1.570 33.355 31.823 -0.062 0.000 1.004 118 V HN 0.740 nan 8.190 nan 0.000 0.424 119 K N 3.491 123.923 120.400 0.055 0.000 2.412 119 K HA 0.427 4.747 4.320 0.000 0.000 0.281 119 K C 0.470 176.865 176.600 -0.341 0.000 1.027 119 K CA 0.443 56.591 56.287 -0.232 0.000 0.989 119 K CB 0.809 33.145 32.500 -0.273 0.000 0.935 119 K HN 0.961 nan 8.250 nan 0.000 0.475 120 I N 1.356 121.652 120.570 -0.456 0.000 4.779 120 I HA 0.189 4.360 4.170 0.000 0.000 0.339 120 I C -0.479 175.342 176.117 -0.493 0.000 1.293 120 I CA -0.411 60.481 61.300 -0.679 0.000 1.324 120 I CB 0.572 38.032 38.000 -0.900 0.000 1.424 120 I HN 0.315 nan 8.210 nan 0.000 0.489 121 L N 3.275 124.304 121.223 -0.323 0.000 2.422 121 L HA 0.505 4.845 4.340 0.000 0.000 0.263 121 L C -2.743 174.011 176.870 -0.195 0.000 1.372 121 L CA -1.270 53.438 54.840 -0.219 0.000 0.857 121 L CB 1.342 43.364 42.059 -0.061 0.000 1.024 121 L HN -0.127 nan 8.230 nan 0.000 0.507 122 P HA 0.051 nan 4.420 nan 0.000 0.268 122 P C 0.609 177.872 177.300 -0.061 0.000 1.208 122 P CA -0.049 62.946 63.100 -0.176 0.000 0.777 122 P CB 0.983 32.589 31.700 -0.158 0.000 0.875 123 K N 1.551 121.968 120.400 0.029 0.000 2.113 123 K HA -0.218 4.102 4.320 0.000 0.000 0.208 123 K C 1.402 178.093 176.600 0.151 0.000 1.047 123 K CA 2.037 58.427 56.287 0.172 0.000 0.928 123 K CB -0.318 32.255 32.500 0.121 0.000 0.716 123 K HN 0.639 nan 8.250 nan 0.000 0.446 124 D N 0.239 120.660 120.400 0.036 0.000 2.144 124 D HA -0.187 4.453 4.640 0.000 0.000 0.200 124 D C 1.011 177.310 176.300 -0.002 0.000 0.978 124 D CA 1.255 55.267 54.000 0.021 0.000 0.833 124 D CB -0.394 40.402 40.800 -0.008 0.000 0.961 124 D HN 0.160 nan 8.370 nan 0.000 0.470 125 R N -0.800 119.643 120.500 -0.096 0.000 2.391 125 R HA 0.189 4.529 4.340 0.000 0.000 0.249 125 R C 0.012 176.190 176.300 -0.204 0.000 0.957 125 R CA -0.308 55.700 56.100 -0.152 0.000 1.093 125 R CB -0.569 29.602 30.300 -0.214 0.000 1.156 125 R HN 0.181 nan 8.270 nan 0.000 0.526 126 W N 1.741 123.047 121.300 0.011 0.000 2.136 126 W HA 0.063 4.724 4.660 0.001 0.000 0.436 126 W C 1.064 177.617 176.519 0.057 0.000 0.624 126 W CA -0.176 57.199 57.345 0.049 0.000 2.276 126 W CB 0.209 29.694 29.460 0.041 0.000 1.277 126 W HN 0.157 nan 8.180 nan 0.000 0.595 127 T N -3.180 111.473 114.554 0.165 0.000 2.962 127 T HA -0.221 4.129 4.350 0.000 0.000 0.270 127 T C 1.296 176.018 174.700 0.037 0.000 1.088 127 T CA 1.055 63.202 62.100 0.078 0.000 1.127 127 T CB 0.057 68.935 68.868 0.017 0.000 0.883 127 T HN 0.332 nan 8.240 nan 0.000 0.493 128 Q N 0.263 120.070 119.800 0.013 0.000 2.204 128 Q HA 0.254 4.594 4.340 0.000 0.000 0.209 128 Q C -0.669 175.079 176.000 -0.420 0.000 0.861 128 Q CA -0.073 55.614 55.803 -0.193 0.000 0.971 128 Q CB 0.327 28.901 28.738 -0.273 0.000 1.095 128 Q HN 0.718 nan 8.270 nan 0.000 0.486 129 H N -1.940 117.141 119.070 0.017 0.000 2.980 129 H HA 0.298 4.854 4.556 0.000 0.000 0.367 129 H C -0.807 174.524 175.328 0.005 0.000 1.206 129 H CA -0.657 55.377 56.048 -0.023 0.000 1.126 129 H CB 1.801 31.519 29.762 -0.073 0.000 1.838 129 H HN -0.141 nan 8.280 nan 0.000 0.552 130 T N 1.455 116.081 114.554 0.120 0.000 2.817 130 T HA 0.253 4.604 4.350 0.000 0.000 0.293 130 T C 0.419 175.109 174.700 -0.015 0.000 0.964 130 T CA -0.453 61.658 62.100 0.020 0.000 1.085 130 T CB 0.376 69.210 68.868 -0.056 0.000 0.921 130 T HN 0.726 nan 8.240 nan 0.000 0.502 131 T N -0.955 113.592 114.554 -0.013 0.000 3.416 131 T HA 0.349 4.699 4.350 0.000 0.000 0.245 131 T C 0.344 175.025 174.700 -0.033 0.000 1.081 131 T CA -0.765 61.327 62.100 -0.014 0.000 1.190 131 T CB -0.462 68.451 68.868 0.075 0.000 1.068 131 T HN 0.579 nan 8.240 nan 0.000 0.580 132 T N -1.591 112.888 114.554 -0.126 0.000 3.967 132 T HA 0.484 4.834 4.350 0.000 0.000 0.262 132 T C 0.865 175.371 174.700 -0.322 0.000 0.966 132 T CA -0.632 61.378 62.100 -0.149 0.000 1.169 132 T CB -0.027 68.776 68.868 -0.107 0.000 1.038 132 T HN 0.568 nan 8.240 nan 0.000 0.541 133 G N -0.053 108.454 108.800 -0.488 0.000 2.484 133 G HA2 0.531 4.491 3.960 0.000 0.000 0.235 133 G HA3 0.531 4.491 3.960 0.000 0.000 0.235 133 G C 0.259 174.861 174.900 -0.497 0.000 1.282 133 G CA 0.169 44.705 45.100 -0.941 0.000 0.857 133 G HN 0.715 nan 8.290 nan 0.000 0.571 134 G N -1.449 107.059 108.800 -0.486 0.000 2.975 134 G HA2 0.728 4.688 3.960 0.000 0.000 0.291 134 G HA3 0.728 4.688 3.960 0.000 0.000 0.291 134 G C -0.957 173.924 174.900 -0.032 0.000 1.334 134 G CA 0.218 45.239 45.100 -0.132 0.000 0.843 134 G HN 1.457 nan 8.290 nan 0.000 0.548 135 S N -2.091 113.656 115.700 0.078 0.000 2.675 135 S HA 0.172 4.642 4.470 0.000 0.000 0.297 135 S C -0.213 174.466 174.600 0.131 0.000 1.035 135 S CA -0.369 57.929 58.200 0.164 0.000 0.852 135 S CB 1.518 64.946 63.200 0.380 0.000 1.051 135 S HN 0.542 nan 8.310 nan 0.000 0.451 136 Q N 2.172 122.039 119.800 0.111 0.000 2.515 136 Q HA 0.186 4.526 4.340 0.000 0.000 0.212 136 Q C 1.790 177.842 176.000 0.087 0.000 0.970 136 Q CA 1.276 57.124 55.803 0.076 0.000 0.941 136 Q CB -0.193 28.578 28.738 0.056 0.000 0.998 136 Q HN 0.819 nan 8.270 nan 0.000 0.518 137 G N -1.264 107.622 108.800 0.144 0.000 2.448 137 G HA2 -0.147 3.813 3.960 0.000 0.000 0.218 137 G HA3 -0.147 3.813 3.960 0.000 0.000 0.218 137 G C 0.697 175.647 174.900 0.083 0.000 1.135 137 G CA 0.633 45.811 45.100 0.130 0.000 0.784 137 G HN 0.428 nan 8.290 nan 0.000 0.543 138 C N 1.349 120.692 119.300 0.071 0.000 2.660 138 C HA 0.747 5.208 4.460 0.000 0.000 0.265 138 C C 1.268 176.253 174.990 -0.009 0.000 1.573 138 C CA -1.178 57.834 59.018 -0.012 0.000 1.751 138 C CB -1.100 26.577 27.740 -0.104 0.000 3.033 138 C HN 0.570 nan 8.230 nan 0.000 0.511 139 A N 0.957 123.781 122.820 0.007 0.000 2.587 139 A HA 0.391 4.711 4.320 0.000 0.000 0.233 139 A C 0.931 178.469 177.584 -0.077 0.000 1.049 139 A CA 0.697 52.725 52.037 -0.015 0.000 0.754 139 A CB 0.376 19.383 19.000 0.011 0.000 0.977 139 A HN 0.352 nan 8.150 nan 0.000 0.509 140 V N 1.260 121.082 119.914 -0.153 0.000 3.458 140 V HA 0.211 4.331 4.120 0.000 0.000 0.166 140 V C 0.516 176.441 176.094 -0.281 0.000 1.224 140 V CA 0.960 63.039 62.300 -0.368 0.000 1.448 140 V CB -0.465 30.999 31.823 -0.597 0.000 1.279 140 V HN 0.850 nan 8.190 nan 0.000 0.446 141 F N 1.340 121.303 119.950 0.022 0.000 2.471 141 F HA 0.527 5.054 4.527 0.000 0.000 0.318 141 F C -0.006 175.803 175.800 0.014 0.000 1.308 141 F CA -0.690 57.321 58.000 0.018 0.000 1.162 141 F CB 0.102 39.111 39.000 0.016 0.000 1.383 141 F HN 0.395 nan 8.300 nan 0.000 0.552 142 D N -0.544 119.950 120.400 0.157 0.000 2.563 142 D HA 0.074 4.714 4.640 0.000 0.000 0.237 142 D C -0.480 175.840 176.300 0.033 0.000 1.282 142 D CA -0.342 53.706 54.000 0.080 0.000 0.816 142 D CB -0.690 40.155 40.800 0.076 0.000 1.066 142 D HN 0.412 nan 8.370 nan 0.000 0.501 143 N N 1.819 120.537 118.700 0.030 0.000 2.187 143 N HA 0.017 4.757 4.740 0.000 0.000 0.236 143 N C -2.480 173.026 175.510 -0.007 0.000 1.244 143 N CA -0.251 52.804 53.050 0.008 0.000 0.850 143 N CB -0.136 38.353 38.487 0.004 0.000 1.090 143 N HN 0.064 nan 8.380 nan 0.000 0.450 144 P HA 0.008 nan 4.420 nan 0.000 0.265 144 P C -0.558 176.741 177.300 -0.001 0.000 1.187 144 P CA 0.402 63.499 63.100 -0.004 0.000 0.766 144 P CB 0.842 32.515 31.700 -0.045 0.000 0.820 145 S N 1.455 117.173 115.700 0.032 0.000 2.794 145 S HA 0.829 5.300 4.470 0.000 0.000 0.299 145 S C -1.823 172.879 174.600 0.170 0.000 1.179 145 S CA -0.380 57.852 58.200 0.054 0.000 0.838 145 S CB 0.592 63.783 63.200 -0.015 0.000 1.206 145 S HN 0.265 nan 8.310 nan 0.000 0.523 146 F N 0.615 120.525 119.950 -0.068 0.000 2.693 146 F HA 0.587 5.114 4.527 0.000 0.000 0.309 146 F C -1.591 174.166 175.800 -0.073 0.000 1.129 146 F CA -1.522 56.412 58.000 -0.110 0.000 0.948 146 F CB 0.659 39.683 39.000 0.040 0.000 1.315 146 F HN 0.557 nan 8.300 nan 0.000 0.447 147 F N 5.021 124.533 119.950 -0.729 0.000 2.512 147 F HA 0.038 4.565 4.527 0.000 0.000 0.406 147 F C 1.704 177.396 175.800 -0.179 0.000 0.990 147 F CA 0.224 57.938 58.000 -0.477 0.000 1.137 147 F CB -0.003 38.597 39.000 -0.666 0.000 0.960 147 F HN 0.318 nan 8.300 nan 0.000 0.533 148 R N 2.072 122.634 120.500 0.104 0.000 2.170 148 R HA -0.189 4.151 4.340 0.000 0.000 0.242 148 R C 0.999 177.412 176.300 0.188 0.000 1.145 148 R CA 1.133 57.310 56.100 0.128 0.000 0.984 148 R CB -0.409 29.943 30.300 0.086 0.000 0.869 148 R HN 0.534 nan 8.270 nan 0.000 0.455 149 N N -0.461 118.339 118.700 0.166 0.000 2.280 149 N HA 0.078 4.819 4.740 0.000 0.000 0.192 149 N C 0.157 175.818 175.510 0.252 0.000 1.109 149 N CA 0.387 53.588 53.050 0.253 0.000 0.855 149 N CB 0.344 38.921 38.487 0.150 0.000 0.974 149 N HN 0.064 nan 8.380 nan 0.000 0.482 150 M N -0.388 119.339 119.600 0.212 0.000 2.811 150 M HA 0.448 4.928 4.480 0.000 0.000 0.303 150 M C -0.287 176.208 176.300 0.325 0.000 1.227 150 M CA -1.117 54.332 55.300 0.249 0.000 0.874 150 M CB 1.479 34.234 32.600 0.259 0.000 1.681 150 M HN -0.414 nan 8.290 nan 0.000 0.500 151 V N 0.861 120.949 119.914 0.290 0.000 2.686 151 V HA 0.418 4.538 4.120 0.000 0.000 0.306 151 V C -1.834 174.364 176.094 0.174 0.000 1.065 151 V CA -0.481 61.957 62.300 0.230 0.000 0.894 151 V CB 2.536 34.404 31.823 0.076 0.000 1.004 151 V HN 0.835 nan 8.190 nan 0.000 0.424 152 W N 8.037 129.270 121.300 -0.113 0.000 2.228 152 W HA 0.442 5.102 4.660 0.000 0.000 0.364 152 W C -0.677 175.675 176.519 -0.279 0.000 0.917 152 W CA -1.363 55.797 57.345 -0.309 0.000 1.513 152 W CB 0.448 29.467 29.460 -0.735 0.000 1.494 152 W HN 0.428 nan 8.180 nan 0.000 0.346 153 L N 6.940 128.187 121.223 0.040 0.000 2.530 153 L HA 0.004 4.344 4.340 0.000 0.000 0.273 153 L C 1.509 178.535 176.870 0.261 0.000 1.141 153 L CA 0.432 55.233 54.840 -0.066 0.000 0.905 153 L CB 0.352 42.137 42.059 -0.456 0.000 1.202 153 L HN 0.328 nan 8.230 nan 0.000 0.473 154 T N 0.749 115.369 114.554 0.111 0.000 3.082 154 T HA 0.176 4.526 4.350 0.000 0.000 0.235 154 T C 0.149 174.954 174.700 0.175 0.000 0.991 154 T CA -0.021 62.060 62.100 -0.033 0.000 1.220 154 T CB 0.286 68.900 68.868 -0.422 0.000 0.909 154 T HN 0.645 nan 8.240 nan 0.000 0.424 155 K N -0.354 120.162 120.400 0.192 0.000 3.196 155 K HA 0.174 4.494 4.320 0.000 0.000 0.390 155 K C -2.079 174.555 176.600 0.058 0.000 1.240 155 K CA -0.852 55.590 56.287 0.258 0.000 0.980 155 K CB 0.550 33.200 32.500 0.250 0.000 1.252 155 K HN 0.094 nan 8.250 nan 0.000 0.423 156 K N 2.245 122.657 120.400 0.019 0.000 2.425 156 K HA 0.498 4.818 4.320 0.000 0.000 0.259 156 K C 0.265 176.845 176.600 -0.032 0.000 0.978 156 K CA 0.575 56.845 56.287 -0.029 0.000 0.883 156 K CB 1.129 33.594 32.500 -0.059 0.000 1.110 156 K HN 0.992 nan 8.250 nan 0.000 0.436 157 G N 2.073 110.855 108.800 -0.031 0.000 2.525 157 G HA2 -0.268 3.693 3.960 0.000 0.000 0.248 157 G HA3 -0.268 3.693 3.960 0.000 0.000 0.248 157 G C 0.365 175.254 174.900 -0.018 0.000 1.238 157 G CA 0.044 45.128 45.100 -0.026 0.000 0.926 157 G HN 0.484 nan 8.290 nan 0.000 0.574 158 S N 0.914 116.608 115.700 -0.010 0.000 2.575 158 S HA 0.190 4.660 4.470 0.000 0.000 0.215 158 S C 0.853 175.468 174.600 0.024 0.000 0.966 158 S CA 0.184 58.383 58.200 -0.001 0.000 0.911 158 S CB -0.273 62.925 63.200 -0.003 0.000 0.780 158 S HN 0.551 nan 8.310 nan 0.000 0.514 159 N N 0.410 119.125 118.700 0.024 0.000 2.492 159 N HA 0.253 4.993 4.740 0.000 0.000 0.289 159 N C -1.631 173.942 175.510 0.105 0.000 1.133 159 N CA -0.151 52.926 53.050 0.045 0.000 0.961 159 N CB 1.145 39.632 38.487 -0.001 0.000 1.186 159 N HN 0.209 nan 8.380 nan 0.000 0.493 160 Y N 3.421 123.720 120.300 -0.001 0.000 2.475 160 Y HA 0.353 4.903 4.550 0.000 0.000 0.343 160 Y C -2.333 173.599 175.900 0.053 0.000 1.068 160 Y CA -1.450 56.675 58.100 0.041 0.000 1.307 160 Y CB 0.924 39.459 38.460 0.125 0.000 1.097 160 Y HN 0.423 nan 8.280 nan 0.000 0.530 161 P HA 0.092 nan 4.420 nan 0.000 0.274 161 P C -0.032 177.247 177.300 -0.035 0.000 1.246 161 P CA -0.091 62.943 63.100 -0.111 0.000 0.795 161 P CB 1.581 33.159 31.700 -0.202 0.000 1.006 162 V N 0.783 120.730 119.914 0.054 0.000 2.953 162 V HA 0.073 4.193 4.120 0.000 0.000 0.304 162 V C 1.044 177.233 176.094 0.159 0.000 1.138 162 V CA 1.168 63.530 62.300 0.103 0.000 1.266 162 V CB -0.050 31.840 31.823 0.112 0.000 0.923 162 V HN 0.805 nan 8.190 nan 0.000 0.505 163 A N 6.000 128.913 122.820 0.154 0.000 2.802 163 A HA 0.476 4.796 4.320 0.000 0.000 0.344 163 A C 0.010 177.755 177.584 0.268 0.000 1.215 163 A CA -0.717 51.450 52.037 0.216 0.000 0.821 163 A CB 0.046 18.988 19.000 -0.097 0.000 1.099 163 A HN 0.796 nan 8.150 nan 0.000 0.479 164 K N 0.476 121.013 120.400 0.229 0.000 2.185 164 K HA 0.585 4.905 4.320 0.000 0.000 0.271 164 K C 0.210 176.908 176.600 0.163 0.000 1.013 164 K CA -0.000 56.395 56.287 0.180 0.000 0.943 164 K CB 1.547 34.112 32.500 0.108 0.000 0.998 164 K HN 0.652 nan 8.250 nan 0.000 0.468 165 G N 0.151 109.065 108.800 0.189 0.000 2.728 165 G HA2 0.397 4.357 3.960 0.000 0.000 0.294 165 G HA3 0.397 4.357 3.960 0.000 0.000 0.294 165 G C -1.500 173.536 174.900 0.226 0.000 1.398 165 G CA -0.372 44.837 45.100 0.182 0.000 1.183 165 G HN 0.433 nan 8.290 nan 0.000 0.578 166 S N 0.863 116.643 115.700 0.134 0.000 2.565 166 S HA 0.855 5.325 4.470 0.000 0.000 0.269 166 S C -2.114 172.590 174.600 0.173 0.000 1.153 166 S CA -0.684 57.577 58.200 0.102 0.000 0.835 166 S CB 2.025 65.251 63.200 0.043 0.000 1.122 166 S HN 1.840 nan 8.310 nan 0.000 0.462 167 Y N 2.284 122.574 120.300 -0.016 0.000 2.521 167 Y HA 0.561 5.111 4.550 0.000 0.000 0.326 167 Y C -1.943 173.952 175.900 -0.009 0.000 1.176 167 Y CA -0.886 57.209 58.100 -0.008 0.000 1.079 167 Y CB 1.238 39.706 38.460 0.014 0.000 1.341 167 Y HN 0.769 nan 8.280 nan 0.000 0.456 168 N N 3.782 122.140 118.700 -0.570 0.000 2.424 168 N HA 0.205 4.945 4.740 0.000 0.000 0.271 168 N C -1.168 173.784 175.510 -0.931 0.000 0.985 168 N CA -0.404 52.318 53.050 -0.548 0.000 0.921 168 N CB 0.759 39.148 38.487 -0.163 0.000 1.149 168 N HN 0.666 nan 8.380 nan 0.000 0.492 169 N N 2.261 120.548 118.700 -0.688 0.000 2.454 169 N HA -0.023 4.717 4.740 0.000 0.000 0.285 169 N C -0.626 174.626 175.510 -0.430 0.000 1.233 169 N CA 0.262 52.998 53.050 -0.524 0.000 1.036 169 N CB -0.282 38.013 38.487 -0.321 0.000 1.423 169 N HN 0.510 nan 8.380 nan 0.000 0.495 170 T N -1.045 113.302 114.554 -0.345 0.000 3.516 170 T HA 0.176 4.526 4.350 0.000 0.000 0.245 170 T C 0.976 175.505 174.700 -0.284 0.000 1.077 170 T CA -0.404 61.489 62.100 -0.345 0.000 1.222 170 T CB -0.358 68.582 68.868 0.120 0.000 1.045 170 T HN 0.238 nan 8.240 nan 0.000 0.585 171 S N -0.255 115.229 115.700 -0.360 0.000 2.520 171 S HA 0.548 5.018 4.470 0.000 0.000 0.219 171 S C 1.936 176.407 174.600 -0.215 0.000 1.028 171 S CA 0.663 58.756 58.200 -0.179 0.000 0.921 171 S CB -0.041 63.114 63.200 -0.076 0.000 0.844 171 S HN 1.331 nan 8.310 nan 0.000 0.495 172 G N 0.719 109.266 108.800 -0.422 0.000 2.399 172 G HA2 -0.235 3.725 3.960 0.000 0.000 0.216 172 G HA3 -0.235 3.725 3.960 0.000 0.000 0.216 172 G C -0.044 174.737 174.900 -0.198 0.000 1.096 172 G CA 0.179 45.109 45.100 -0.284 0.000 0.650 172 G HN 0.645 nan 8.290 nan 0.000 0.512 173 E N 0.863 120.983 120.200 -0.133 0.000 2.232 173 E HA 0.648 4.998 4.350 0.000 0.000 0.265 173 E C 0.461 177.010 176.600 -0.085 0.000 1.001 173 E CA -0.547 55.813 56.400 -0.066 0.000 0.870 173 E CB 0.727 30.434 29.700 0.012 0.000 1.175 173 E HN 0.409 nan 8.360 nan 0.000 0.407 174 Q N 1.223 121.001 119.800 -0.037 0.000 2.432 174 Q HA 0.123 4.464 4.340 0.000 0.000 0.264 174 Q C -0.559 175.456 176.000 0.026 0.000 1.035 174 Q CA 0.643 56.440 55.803 -0.009 0.000 0.908 174 Q CB 0.742 29.500 28.738 0.033 0.000 1.280 174 Q HN 0.442 nan 8.270 nan 0.000 0.455 175 M N 2.997 122.632 119.600 0.059 0.000 2.243 175 M HA 0.289 4.770 4.480 0.000 0.000 0.324 175 M C -1.479 174.945 176.300 0.206 0.000 1.031 175 M CA -1.032 54.339 55.300 0.119 0.000 0.949 175 M CB 1.056 33.730 32.600 0.124 0.000 1.615 175 M HN 0.528 nan 8.290 nan 0.000 0.430 176 L N 7.049 128.431 121.223 0.264 0.000 2.319 176 L HA 0.562 4.902 4.340 0.000 0.000 0.280 176 L C -1.563 175.562 176.870 0.424 0.000 1.099 176 L CA 0.447 55.496 54.840 0.349 0.000 0.828 176 L CB 0.359 42.593 42.059 0.291 0.000 1.150 176 L HN 0.659 nan 8.230 nan 0.000 0.442 177 I N 6.700 127.556 120.570 0.477 0.000 2.447 177 I HA 0.364 4.534 4.170 0.000 0.000 0.287 177 I C -0.510 175.991 176.117 0.640 0.000 1.023 177 I CA -0.451 61.165 61.300 0.528 0.000 1.083 177 I CB 1.719 40.014 38.000 0.493 0.000 1.245 177 I HN 0.580 nan 8.210 nan 0.000 0.434 178 I N 5.690 126.595 120.570 0.558 0.000 2.428 178 I HA 0.404 4.574 4.170 0.000 0.000 0.296 178 I C -0.716 175.734 176.117 0.555 0.000 0.985 178 I CA -0.334 61.243 61.300 0.462 0.000 1.260 178 I CB 1.303 39.472 38.000 0.281 0.000 1.389 178 I HN 0.634 nan 8.210 nan 0.000 0.484 179 W N 4.202 125.680 121.300 0.297 0.000 3.038 179 W HA 0.877 5.538 4.660 0.000 0.000 0.347 179 W C -0.884 175.736 176.519 0.168 0.000 1.219 179 W CA -0.947 56.526 57.345 0.213 0.000 1.142 179 W CB 0.759 30.356 29.460 0.228 0.000 1.484 179 W HN 0.554 nan 8.180 nan 0.000 0.586 180 G N -0.046 108.862 108.800 0.180 0.000 2.605 180 G HA2 0.690 4.650 3.960 0.000 0.000 0.296 180 G HA3 0.690 4.650 3.960 0.000 0.000 0.296 180 G C -2.368 172.401 174.900 -0.219 0.000 1.304 180 G CA -1.168 43.773 45.100 -0.266 0.000 0.941 180 G HN 0.789 nan 8.290 nan 0.000 0.475 181 V N 1.000 120.634 119.914 -0.468 0.000 2.532 181 V HA 0.235 4.356 4.120 0.000 0.000 0.294 181 V C -0.658 175.030 176.094 -0.676 0.000 1.036 181 V CA -0.813 61.231 62.300 -0.426 0.000 0.876 181 V CB 1.196 32.855 31.823 -0.272 0.000 1.012 181 V HN 0.962 nan 8.190 nan 0.000 0.432 182 H N 4.656 123.351 119.070 -0.625 0.000 2.848 182 H HA 0.347 4.903 4.556 0.000 0.000 0.341 182 H C -0.398 174.688 175.328 -0.403 0.000 1.060 182 H CA 0.504 56.247 56.048 -0.508 0.000 1.444 182 H CB 0.462 30.026 29.762 -0.329 0.000 1.446 182 H HN 0.618 nan 8.280 nan 0.000 0.583 183 H N 6.375 125.074 119.070 -0.620 0.000 2.786 183 H HA 0.253 4.809 4.556 0.000 0.000 0.284 183 H C -2.367 172.669 175.328 -0.487 0.000 1.104 183 H CA -2.584 53.214 56.048 -0.417 0.000 1.339 183 H CB 0.681 30.311 29.762 -0.221 0.000 1.427 183 H HN 0.627 nan 8.280 nan 0.000 0.497 184 P HA 0.088 nan 4.420 nan 0.000 0.272 184 P C 0.777 178.098 177.300 0.036 0.000 1.223 184 P CA -0.032 63.055 63.100 -0.021 0.000 0.784 184 P CB 1.454 33.264 31.700 0.184 0.000 0.923 185 N N 0.144 118.898 118.700 0.089 0.000 2.092 185 N HA -0.104 4.636 4.740 0.000 0.000 0.189 185 N C -0.170 175.367 175.510 0.046 0.000 1.040 185 N CA 1.233 54.319 53.050 0.061 0.000 0.845 185 N CB -0.060 38.473 38.487 0.077 0.000 1.017 185 N HN 0.619 nan 8.380 nan 0.000 0.426 186 D N -1.209 119.226 120.400 0.058 0.000 2.419 186 D HA 0.218 4.858 4.640 0.000 0.000 0.234 186 D C 0.017 176.347 176.300 0.050 0.000 1.014 186 D CA -0.639 53.386 54.000 0.043 0.000 0.919 186 D CB 0.949 41.770 40.800 0.035 0.000 1.366 186 D HN -0.158 nan 8.370 nan 0.000 0.490 187 E N -0.034 120.188 120.200 0.037 0.000 2.267 187 E HA -0.151 4.199 4.350 0.000 0.000 0.197 187 E C 1.287 177.911 176.600 0.041 0.000 0.998 187 E CA 1.116 57.539 56.400 0.039 0.000 0.830 187 E CB -0.119 29.598 29.700 0.027 0.000 0.751 187 E HN 0.526 nan 8.360 nan 0.000 0.491 188 T N 0.428 115.003 114.554 0.035 0.000 2.937 188 T HA -0.102 4.249 4.350 0.000 0.000 0.260 188 T C 1.793 176.510 174.700 0.028 0.000 1.051 188 T CA 1.092 63.207 62.100 0.025 0.000 1.141 188 T CB 0.080 68.957 68.868 0.015 0.000 0.879 188 T HN 0.270 nan 8.240 nan 0.000 0.459 189 E N 0.899 121.129 120.200 0.049 0.000 2.086 189 E HA -0.299 4.051 4.350 0.000 0.000 0.200 189 E C 2.119 178.771 176.600 0.087 0.000 1.012 189 E CA 1.792 58.235 56.400 0.071 0.000 0.812 189 E CB -0.150 29.628 29.700 0.130 0.000 0.743 189 E HN 0.366 nan 8.360 nan 0.000 0.453 190 Q N 0.906 120.784 119.800 0.130 0.000 1.967 190 Q HA -0.240 4.100 4.340 0.000 0.000 0.210 190 Q C 2.260 178.322 176.000 0.103 0.000 1.005 190 Q CA 2.481 58.398 55.803 0.190 0.000 0.862 190 Q CB -0.362 28.460 28.738 0.140 0.000 0.939 190 Q HN 0.241 nan 8.270 nan 0.000 0.417 191 R N -1.087 119.442 120.500 0.049 0.000 2.091 191 R HA -0.118 4.222 4.340 0.000 0.000 0.238 191 R C 2.285 178.563 176.300 -0.037 0.000 1.136 191 R CA 1.872 57.981 56.100 0.014 0.000 0.959 191 R CB -0.447 29.862 30.300 0.015 0.000 0.856 191 R HN 0.427 nan 8.270 nan 0.000 0.437 192 T N 1.058 115.578 114.554 -0.056 0.000 2.759 192 T HA -0.150 4.200 4.350 0.000 0.000 0.269 192 T C 1.722 176.298 174.700 -0.206 0.000 1.042 192 T CA 1.207 63.245 62.100 -0.104 0.000 1.140 192 T CB -0.054 68.761 68.868 -0.090 0.000 0.864 192 T HN 0.148 nan 8.240 nan 0.000 0.455 193 L N -1.392 119.641 121.223 -0.316 0.000 2.145 193 L HA 0.104 4.444 4.340 0.000 0.000 0.201 193 L C 1.685 178.104 176.870 -0.751 0.000 1.075 193 L CA 1.096 55.522 54.840 -0.690 0.000 0.773 193 L CB -0.007 41.386 42.059 -1.109 0.000 0.936 193 L HN 0.261 nan 8.230 nan 0.000 0.451 194 Y N -2.348 117.858 120.300 -0.156 0.000 2.426 194 Y HA 0.267 4.817 4.550 0.000 0.000 0.249 194 Y C 0.417 176.165 175.900 -0.252 0.000 1.103 194 Y CA -0.816 57.066 58.100 -0.363 0.000 1.256 194 Y CB 0.144 38.339 38.460 -0.442 0.000 1.208 194 Y HN 0.025 nan 8.280 nan 0.000 0.519 195 Q N 2.955 122.750 119.800 -0.008 0.000 2.449 195 Q HA -0.216 4.124 4.340 0.000 0.000 0.351 195 Q C -0.753 175.276 176.000 0.048 0.000 1.456 195 Q CA 1.155 56.973 55.803 0.026 0.000 0.951 195 Q CB -1.484 27.282 28.738 0.048 0.000 1.153 195 Q HN 0.851 nan 8.270 nan 0.000 0.341 196 N N -2.357 116.367 118.700 0.040 0.000 5.813 196 N HA 0.176 4.916 4.740 0.000 0.000 0.191 196 N C -1.372 174.160 175.510 0.036 0.000 1.064 196 N CA -0.243 52.833 53.050 0.042 0.000 0.740 196 N CB -0.021 38.499 38.487 0.056 0.000 1.686 196 N HN 0.174 nan 8.380 nan 0.000 0.534 197 V N -1.230 118.707 119.914 0.038 0.000 3.145 197 V HA 0.826 4.946 4.120 0.000 0.000 0.311 197 V C 1.528 177.649 176.094 0.045 0.000 1.238 197 V CA 0.056 62.378 62.300 0.035 0.000 1.066 197 V CB 0.893 32.738 31.823 0.037 0.000 1.144 197 V HN 1.492 nan 8.190 nan 0.000 0.465 198 G N 0.263 109.094 108.800 0.051 0.000 2.179 198 G HA2 -0.036 3.925 3.960 0.000 0.000 0.257 198 G HA3 -0.036 3.925 3.960 0.000 0.000 0.257 198 G C 0.329 175.295 174.900 0.110 0.000 1.010 198 G CA 0.424 45.574 45.100 0.083 0.000 0.736 198 G HN 1.572 nan 8.290 nan 0.000 0.513 199 A N -0.391 122.452 122.820 0.037 0.000 2.366 199 A HA 0.769 5.089 4.320 0.000 0.000 0.249 199 A C -0.026 177.572 177.584 0.024 0.000 1.084 199 A CA 0.613 52.615 52.037 -0.059 0.000 0.794 199 A CB 0.385 19.299 19.000 -0.143 0.000 1.034 199 A HN 1.865 nan 8.150 nan 0.000 0.491 200 Y N -1.745 118.559 120.300 0.006 0.000 2.571 200 Y HA 0.626 5.176 4.550 0.000 0.000 0.341 200 Y C -1.018 174.895 175.900 0.022 0.000 1.076 200 Y CA -1.523 56.587 58.100 0.016 0.000 1.029 200 Y CB 0.927 39.407 38.460 0.033 0.000 1.308 200 Y HN 0.439 nan 8.280 nan 0.000 0.461 201 V N 2.158 122.223 119.914 0.252 0.000 2.435 201 V HA 0.693 4.814 4.120 0.000 0.000 0.290 201 V C -0.431 175.857 176.094 0.324 0.000 1.030 201 V CA -0.498 61.944 62.300 0.238 0.000 0.881 201 V CB 1.268 33.185 31.823 0.158 0.000 0.983 201 V HN 0.906 nan 8.190 nan 0.000 0.445 202 S N 3.043 118.926 115.700 0.306 0.000 2.745 202 S HA 0.682 5.152 4.470 0.000 0.000 0.283 202 S C -0.901 173.721 174.600 0.036 0.000 1.170 202 S CA -0.613 57.677 58.200 0.151 0.000 1.119 202 S CB 1.178 64.430 63.200 0.086 0.000 1.035 202 S HN 0.443 nan 8.310 nan 0.000 0.483 203 V N 2.791 122.647 119.914 -0.097 0.000 2.539 203 V HA 0.881 5.002 4.120 0.000 0.000 0.292 203 V C 0.823 176.746 176.094 -0.286 0.000 1.045 203 V CA -0.066 62.007 62.300 -0.379 0.000 0.945 203 V CB 1.566 32.874 31.823 -0.858 0.000 0.993 203 V HN 1.095 nan 8.190 nan 0.000 0.464 204 G N 1.833 110.435 108.800 -0.329 0.000 2.719 204 G HA2 0.698 4.658 3.960 0.000 0.000 0.298 204 G HA3 0.698 4.658 3.960 0.000 0.000 0.298 204 G C -0.577 174.206 174.900 -0.194 0.000 1.433 204 G CA 0.248 45.227 45.100 -0.201 0.000 1.034 204 G HN 0.945 nan 8.290 nan 0.000 0.517 205 T N -2.048 112.429 114.554 -0.128 0.000 2.584 205 T HA 0.525 4.876 4.350 0.000 0.000 0.273 205 T C 1.367 176.034 174.700 -0.055 0.000 0.978 205 T CA 0.672 62.715 62.100 -0.094 0.000 1.159 205 T CB 0.834 69.650 68.868 -0.088 0.000 1.556 205 T HN 0.433 nan 8.240 nan 0.000 0.472 206 S N 0.336 116.014 115.700 -0.037 0.000 2.439 206 S HA 0.077 4.548 4.470 0.000 0.000 0.224 206 S C 2.060 176.652 174.600 -0.013 0.000 1.029 206 S CA 1.203 59.391 58.200 -0.021 0.000 0.946 206 S CB -0.468 62.726 63.200 -0.010 0.000 0.797 206 S HN 1.008 nan 8.310 nan 0.000 0.504 207 T N -0.323 114.225 114.554 -0.011 0.000 3.015 207 T HA 0.265 4.615 4.350 0.000 0.000 0.250 207 T C 0.474 175.167 174.700 -0.011 0.000 1.057 207 T CA -0.196 61.900 62.100 -0.007 0.000 1.066 207 T CB -0.221 68.647 68.868 0.001 0.000 0.959 207 T HN 0.103 nan 8.240 nan 0.000 0.488 208 L N 2.409 123.622 121.223 -0.016 0.000 2.439 208 L HA 0.724 5.064 4.340 0.000 0.000 0.259 208 L C -0.707 176.148 176.870 -0.025 0.000 1.129 208 L CA -0.377 54.454 54.840 -0.014 0.000 0.803 208 L CB 1.250 43.300 42.059 -0.014 0.000 1.161 208 L HN 0.465 nan 8.230 nan 0.000 0.462 209 N N 1.720 120.414 118.700 -0.011 0.000 3.547 209 N HA 0.203 4.943 4.740 0.000 0.000 0.203 209 N C -1.690 173.828 175.510 0.012 0.000 1.410 209 N CA -0.327 52.714 53.050 -0.016 0.000 0.811 209 N CB 0.359 38.834 38.487 -0.019 0.000 1.665 209 N HN 0.626 nan 8.380 nan 0.000 0.686 210 K N 2.123 122.541 120.400 0.031 0.000 2.318 210 K HA 0.628 4.948 4.320 0.000 0.000 0.249 210 K C -1.146 175.493 176.600 0.065 0.000 0.942 210 K CA -0.719 55.614 56.287 0.076 0.000 0.808 210 K CB 1.638 34.244 32.500 0.175 0.000 1.189 210 K HN 0.443 nan 8.250 nan 0.000 0.428 211 R N 1.507 122.045 120.500 0.063 0.000 2.532 211 R HA 0.376 4.717 4.340 0.000 0.000 0.297 211 R C -1.540 174.821 176.300 0.101 0.000 0.984 211 R CA -0.426 55.714 56.100 0.066 0.000 0.884 211 R CB 1.840 32.126 30.300 -0.025 0.000 1.182 211 R HN 0.679 nan 8.270 nan 0.000 0.442 212 S N 4.468 120.261 115.700 0.155 0.000 2.521 212 S HA 0.535 5.005 4.470 0.000 0.000 0.295 212 S C -0.707 173.985 174.600 0.153 0.000 1.098 212 S CA -0.877 57.411 58.200 0.146 0.000 0.999 212 S CB 1.545 64.847 63.200 0.170 0.000 1.034 212 S HN 0.403 nan 8.310 nan 0.000 0.483 213 L N 2.378 123.671 121.223 0.116 0.000 2.317 213 L HA 0.498 4.838 4.340 0.000 0.000 0.281 213 L C -2.550 174.374 176.870 0.091 0.000 1.024 213 L CA -2.563 52.338 54.840 0.102 0.000 0.810 213 L CB 0.873 42.977 42.059 0.074 0.000 1.240 213 L HN 0.332 nan 8.230 nan 0.000 0.427 214 P HA -0.003 nan 4.420 nan 0.000 0.261 214 P C -0.942 176.366 177.300 0.015 0.000 1.183 214 P CA 0.186 63.363 63.100 0.129 0.000 0.761 214 P CB 0.293 32.020 31.700 0.045 0.000 0.785 215 E N 3.526 123.596 120.200 -0.217 0.000 2.046 215 E HA 0.264 4.614 4.350 0.000 0.000 0.279 215 E C 0.004 176.450 176.600 -0.256 0.000 0.989 215 E CA -0.523 55.676 56.400 -0.335 0.000 0.798 215 E CB 0.746 30.137 29.700 -0.516 0.000 1.086 215 E HN 0.422 nan 8.360 nan 0.000 0.399 216 I N 2.642 123.149 120.570 -0.106 0.000 2.428 216 I HA 0.374 4.544 4.170 0.000 0.000 0.289 216 I C 0.231 176.312 176.117 -0.060 0.000 1.019 216 I CA 0.059 61.327 61.300 -0.054 0.000 1.351 216 I CB 1.161 39.155 38.000 -0.009 0.000 1.412 216 I HN 0.553 nan 8.210 nan 0.000 0.513 217 A N 3.753 126.546 122.820 -0.044 0.000 2.568 217 A HA 0.728 5.048 4.320 0.000 0.000 0.291 217 A C -0.752 176.822 177.584 -0.016 0.000 1.159 217 A CA -0.508 51.507 52.037 -0.036 0.000 0.679 217 A CB 1.622 20.590 19.000 -0.053 0.000 1.285 217 A HN 0.450 nan 8.150 nan 0.000 0.428 218 T N 2.461 117.007 114.554 -0.013 0.000 3.042 218 T HA 0.412 4.762 4.350 0.000 0.000 0.356 218 T C -0.356 174.340 174.700 -0.006 0.000 1.233 218 T CA -0.488 61.610 62.100 -0.004 0.000 1.038 218 T CB -0.289 68.578 68.868 -0.002 0.000 1.089 218 T HN 0.514 nan 8.240 nan 0.000 0.531 219 R N 3.053 123.550 120.500 -0.006 0.000 2.536 219 R HA 0.541 4.881 4.340 0.000 0.000 0.279 219 R C -2.359 173.937 176.300 -0.008 0.000 1.001 219 R CA -2.360 53.734 56.100 -0.010 0.000 1.027 219 R CB -0.565 29.725 30.300 -0.017 0.000 1.096 219 R HN 0.306 nan 8.270 nan 0.000 0.502 220 P HA 0.002 nan 4.420 nan 0.000 0.286 220 P C -0.682 176.609 177.300 -0.014 0.000 1.278 220 P CA -0.070 63.025 63.100 -0.007 0.000 0.785 220 P CB 0.414 32.111 31.700 -0.006 0.000 1.269 221 E N -0.642 119.551 120.200 -0.013 0.000 2.165 221 E HA 0.419 4.769 4.350 0.000 0.000 0.266 221 E C -1.259 175.326 176.600 -0.025 0.000 0.889 221 E CA -0.636 55.752 56.400 -0.020 0.000 0.756 221 E CB 1.541 31.237 29.700 -0.007 0.000 1.131 221 E HN -0.012 nan 8.360 nan 0.000 0.411 222 V N 4.037 123.923 119.914 -0.047 0.000 2.448 222 V HA 0.120 4.240 4.120 0.000 0.000 0.295 222 V C 0.258 176.321 176.094 -0.051 0.000 1.025 222 V CA -0.795 61.480 62.300 -0.041 0.000 0.859 222 V CB 1.412 33.206 31.823 -0.048 0.000 0.988 222 V HN 0.757 nan 8.190 nan 0.000 0.431 223 N N 3.818 122.506 118.700 -0.020 0.000 2.678 223 N HA -0.236 4.504 4.740 0.000 0.000 0.250 223 N C 1.162 176.668 175.510 -0.006 0.000 1.136 223 N CA 1.883 54.929 53.050 -0.007 0.000 0.757 223 N CB -1.108 37.378 38.487 -0.002 0.000 1.135 223 N HN 1.533 nan 8.380 nan 0.000 0.565 224 G N -2.323 106.469 108.800 -0.013 0.000 2.157 224 G HA2 -0.299 3.661 3.960 0.000 0.000 0.248 224 G HA3 -0.299 3.661 3.960 0.000 0.000 0.248 224 G C -0.329 174.566 174.900 -0.009 0.000 0.979 224 G CA 0.395 45.495 45.100 0.000 0.000 0.650 224 G HN 0.387 nan 8.290 nan 0.000 0.529 225 Q N -0.525 119.235 119.800 -0.068 0.000 2.342 225 Q HA 0.655 4.995 4.340 0.000 0.000 0.267 225 Q C 1.047 176.973 176.000 -0.124 0.000 1.038 225 Q CA 0.058 55.788 55.803 -0.122 0.000 0.832 225 Q CB 1.471 29.971 28.738 -0.396 0.000 1.323 225 Q HN 0.395 nan 8.270 nan 0.000 0.448 226 G N 0.981 109.751 108.800 -0.048 0.000 2.921 226 G HA2 0.153 4.113 3.960 0.000 0.000 0.213 226 G HA3 0.153 4.113 3.960 0.000 0.000 0.213 226 G C 0.627 175.518 174.900 -0.015 0.000 1.143 226 G CA 0.292 45.376 45.100 -0.028 0.000 0.764 226 G HN 0.605 nan 8.290 nan 0.000 0.542 227 G N 0.142 108.962 108.800 0.034 0.000 2.664 227 G HA2 0.449 4.410 3.960 0.000 0.000 0.242 227 G HA3 0.449 4.410 3.960 0.000 0.000 0.242 227 G C -0.414 174.473 174.900 -0.023 0.000 1.225 227 G CA -0.352 44.851 45.100 0.172 0.000 0.849 227 G HN 0.168 nan 8.290 nan 0.000 0.581 228 R N 0.536 121.100 120.500 0.107 0.000 2.522 228 R HA 0.240 4.580 4.340 0.000 0.000 0.283 228 R C -0.720 175.614 176.300 0.057 0.000 1.074 228 R CA -0.566 55.577 56.100 0.072 0.000 0.925 228 R CB 1.917 32.247 30.300 0.049 0.000 1.205 228 R HN 0.545 nan 8.270 nan 0.000 0.436 229 M N 1.976 121.626 119.600 0.084 0.000 2.180 229 M HA 0.317 4.797 4.480 0.000 0.000 0.350 229 M C 0.213 176.179 176.300 -0.556 0.000 1.125 229 M CA -0.342 54.750 55.300 -0.348 0.000 1.031 229 M CB 1.917 34.275 32.600 -0.403 0.000 1.623 229 M HN 0.393 nan 8.290 nan 0.000 0.451 230 E N 4.190 123.988 120.200 -0.669 0.000 2.113 230 E HA 0.436 4.786 4.350 0.000 0.000 0.273 230 E C -1.742 174.430 176.600 -0.713 0.000 0.924 230 E CA -0.455 55.664 56.400 -0.468 0.000 0.764 230 E CB 0.955 30.550 29.700 -0.174 0.000 1.104 230 E HN 0.483 nan 8.360 nan 0.000 0.406 231 F N 2.166 121.828 119.950 -0.479 0.000 2.422 231 F HA 0.364 4.891 4.527 0.000 0.000 0.333 231 F C 0.638 176.041 175.800 -0.663 0.000 1.095 231 F CA -0.510 57.073 58.000 -0.696 0.000 1.038 231 F CB 1.961 40.311 39.000 -1.083 0.000 1.156 231 F HN 0.315 nan 8.300 nan 0.000 0.483 232 S N 2.245 117.558 115.700 -0.646 0.000 2.766 232 S HA 0.603 5.073 4.470 0.000 0.000 0.307 232 S C -1.361 172.890 174.600 -0.581 0.000 1.121 232 S CA -0.664 57.136 58.200 -0.668 0.000 0.980 232 S CB 1.836 64.451 63.200 -0.975 0.000 1.159 232 S HN 0.736 nan 8.310 nan 0.000 0.546 233 W N -0.316 120.693 121.300 -0.485 0.000 3.419 233 W HA 0.634 5.294 4.660 0.000 0.000 0.298 233 W C -1.821 174.770 176.519 0.119 0.000 1.260 233 W CA -0.528 56.768 57.345 -0.082 0.000 1.199 233 W CB 0.737 30.294 29.460 0.161 0.000 1.349 233 W HN 0.621 nan 8.180 nan 0.000 0.557 234 T N 2.649 117.533 114.554 0.549 0.000 2.843 234 T HA 0.563 4.913 4.350 0.000 0.000 0.302 234 T C -1.466 173.520 174.700 0.477 0.000 1.232 234 T CA -0.603 61.696 62.100 0.332 0.000 1.009 234 T CB 1.621 70.695 68.868 0.343 0.000 1.254 234 T HN 0.361 nan 8.240 nan 0.000 0.504 235 I N 3.762 124.527 120.570 0.323 0.000 2.339 235 I HA 0.385 4.556 4.170 0.000 0.000 0.290 235 I C -0.461 175.755 176.117 0.166 0.000 0.994 235 I CA -0.791 60.676 61.300 0.278 0.000 1.191 235 I CB 1.269 39.428 38.000 0.266 0.000 1.343 235 I HN 0.455 nan 8.210 nan 0.000 0.458 236 L N 6.940 128.249 121.223 0.144 0.000 2.281 236 L HA 0.345 4.685 4.340 0.000 0.000 0.285 236 L C 0.130 177.013 176.870 0.021 0.000 1.074 236 L CA 0.106 54.986 54.840 0.067 0.000 0.817 236 L CB 0.113 42.209 42.059 0.061 0.000 1.168 236 L HN 0.406 nan 8.230 nan 0.000 0.434 237 D N 3.105 123.507 120.400 0.004 0.000 2.364 237 D HA 0.041 4.681 4.640 0.000 0.000 0.236 237 D C -0.044 176.220 176.300 -0.061 0.000 1.221 237 D CA 0.224 54.220 54.000 -0.007 0.000 0.891 237 D CB 0.574 41.380 40.800 0.011 0.000 1.190 237 D HN 0.411 nan 8.370 nan 0.000 0.449 238 I N 1.587 122.110 120.570 -0.077 0.000 2.352 238 I HA 0.127 4.297 4.170 0.000 0.000 0.290 238 I C -0.547 175.471 176.117 -0.165 0.000 1.036 238 I CA -0.612 60.542 61.300 -0.243 0.000 1.336 238 I CB -0.515 37.334 38.000 -0.252 0.000 1.407 238 I HN 0.525 nan 8.210 nan 0.000 0.497 239 W N 4.708 125.976 121.300 -0.053 0.000 4.926 239 W HA -0.209 4.451 4.660 0.000 0.000 0.401 239 W C -0.337 176.136 176.519 -0.076 0.000 1.555 239 W CA 0.344 57.649 57.345 -0.066 0.000 0.877 239 W CB -1.536 27.899 29.460 -0.042 0.000 2.743 239 W HN 0.682 nan 8.180 nan 0.000 1.328 240 D N 0.056 120.465 120.400 0.014 0.000 2.970 240 D HA 0.397 5.037 4.640 0.000 0.000 0.230 240 D C 0.122 176.360 176.300 -0.103 0.000 1.276 240 D CA -0.013 53.975 54.000 -0.019 0.000 0.910 240 D CB 1.271 42.062 40.800 -0.013 0.000 1.590 240 D HN -0.001 nan 8.370 nan 0.000 0.551 241 T N 1.425 115.923 114.554 -0.093 0.000 2.897 241 T HA 0.444 4.794 4.350 0.000 0.000 0.294 241 T C 0.695 175.320 174.700 -0.124 0.000 1.004 241 T CA -0.786 61.236 62.100 -0.130 0.000 1.106 241 T CB 0.759 69.574 68.868 -0.089 0.000 0.949 241 T HN 0.458 nan 8.240 nan 0.000 0.520 242 I N 1.579 122.064 120.570 -0.142 0.000 2.566 242 I HA 0.499 4.669 4.170 0.000 0.000 0.303 242 I C -0.735 175.240 176.117 -0.236 0.000 0.983 242 I CA -1.136 60.031 61.300 -0.222 0.000 1.235 242 I CB 1.434 39.271 38.000 -0.270 0.000 1.386 242 I HN 0.824 nan 8.210 nan 0.000 0.494 243 N N 5.425 123.920 118.700 -0.341 0.000 2.607 243 N HA 0.339 5.079 4.740 0.000 0.000 0.271 243 N C -1.600 173.753 175.510 -0.262 0.000 1.142 243 N CA -0.464 52.457 53.050 -0.215 0.000 0.810 243 N CB 0.946 39.369 38.487 -0.108 0.000 1.306 243 N HN 0.291 nan 8.380 nan 0.000 0.536 244 F N 1.413 121.338 119.950 -0.042 0.000 2.429 244 F HA 0.309 4.836 4.527 0.000 0.000 0.348 244 F C 0.876 176.703 175.800 0.045 0.000 1.109 244 F CA -0.240 57.734 58.000 -0.043 0.000 1.232 244 F CB 0.905 39.910 39.000 0.009 0.000 1.157 244 F HN 0.319 nan 8.300 nan 0.000 0.564 245 E N 1.687 122.053 120.200 0.277 0.000 2.287 245 E HA 0.476 4.827 4.350 0.000 0.000 0.274 245 E C -1.736 175.025 176.600 0.269 0.000 0.896 245 E CA -0.408 56.152 56.400 0.266 0.000 0.788 245 E CB 1.646 31.501 29.700 0.259 0.000 1.244 245 E HN 0.532 nan 8.360 nan 0.000 0.408 246 S N 1.771 117.533 115.700 0.103 0.000 2.546 246 S HA 0.394 4.864 4.470 0.000 0.000 0.274 246 S C -0.152 174.349 174.600 -0.165 0.000 1.121 246 S CA -0.296 57.827 58.200 -0.130 0.000 0.887 246 S CB 1.608 64.770 63.200 -0.062 0.000 1.094 246 S HN 0.580 nan 8.310 nan 0.000 0.474 247 T N 0.188 114.477 114.554 -0.440 0.000 3.243 247 T HA 0.621 4.971 4.350 0.000 0.000 0.264 247 T C 0.696 175.391 174.700 -0.009 0.000 1.000 247 T CA 0.153 62.203 62.100 -0.083 0.000 0.901 247 T CB -0.393 68.311 68.868 -0.273 0.000 1.083 247 T HN 1.450 nan 8.240 nan 0.000 0.559 248 G N 1.293 110.044 108.800 -0.082 0.000 2.428 248 G HA2 0.123 4.083 3.960 0.000 0.000 0.681 248 G HA3 0.123 4.083 3.960 0.000 0.000 0.681 248 G C -0.110 174.395 174.900 -0.659 0.000 1.340 248 G CA -0.394 44.287 45.100 -0.698 0.000 0.915 248 G HN 0.218 nan 8.290 nan 0.000 0.645 249 N N -2.507 115.493 118.700 -1.167 0.000 2.984 249 N HA -0.200 4.541 4.740 0.000 0.000 0.227 249 N C 0.624 175.842 175.510 -0.487 0.000 0.903 249 N CA 1.114 53.547 53.050 -1.029 0.000 0.995 249 N CB -0.662 37.439 38.487 -0.643 0.000 1.065 249 N HN 1.367 nan 8.380 nan 0.000 0.585 250 L N 3.001 124.026 121.223 -0.331 0.000 2.385 250 L HA 0.335 4.675 4.340 0.000 0.000 0.281 250 L C -0.020 176.720 176.870 -0.217 0.000 1.106 250 L CA 0.052 54.766 54.840 -0.211 0.000 0.856 250 L CB 0.270 42.219 42.059 -0.183 0.000 1.186 250 L HN -0.011 nan 8.230 nan 0.000 0.453 251 I N 6.222 126.679 120.570 -0.189 0.000 2.281 251 I HA 0.393 4.563 4.170 0.000 0.000 0.293 251 I C 0.576 176.696 176.117 0.005 0.000 1.085 251 I CA -0.120 61.117 61.300 -0.106 0.000 1.257 251 I CB 0.069 38.007 38.000 -0.103 0.000 1.430 251 I HN 0.800 nan 8.210 nan 0.000 0.489 252 A N 9.820 132.607 122.820 -0.056 0.000 2.320 252 A HA 0.910 5.230 4.320 0.000 0.000 0.334 252 A C -2.604 175.007 177.584 0.046 0.000 1.147 252 A CA -1.498 50.464 52.037 -0.126 0.000 0.820 252 A CB 1.137 19.948 19.000 -0.314 0.000 1.218 252 A HN 0.391 nan 8.150 nan 0.000 0.482 253 P HA 0.307 nan 4.420 nan 0.000 0.288 253 P C -0.102 177.270 177.300 0.121 0.000 1.267 253 P CA -0.166 63.033 63.100 0.166 0.000 0.815 253 P CB 1.319 33.173 31.700 0.257 0.000 0.989 254 E N 1.092 121.336 120.200 0.073 0.000 2.460 254 E HA 0.058 4.408 4.350 0.000 0.000 0.200 254 E C -0.533 175.747 176.600 -0.534 0.000 1.011 254 E CA 0.212 56.500 56.400 -0.188 0.000 0.912 254 E CB 0.288 29.835 29.700 -0.254 0.000 0.953 254 E HN 0.488 nan 8.360 nan 0.000 0.494 255 Y N -1.726 118.523 120.300 -0.085 0.000 2.638 255 Y HA 0.599 5.149 4.550 0.000 0.000 0.339 255 Y C 0.409 176.180 175.900 -0.214 0.000 1.084 255 Y CA -1.097 56.865 58.100 -0.231 0.000 1.068 255 Y CB 1.861 40.083 38.460 -0.397 0.000 1.294 255 Y HN -0.149 nan 8.280 nan 0.000 0.480 256 G N 0.119 108.848 108.800 -0.118 0.000 2.630 256 G HA2 0.693 4.653 3.960 0.000 0.000 0.296 256 G HA3 0.693 4.653 3.960 0.000 0.000 0.296 256 G C -2.142 172.537 174.900 -0.368 0.000 1.285 256 G CA -0.823 44.243 45.100 -0.057 0.000 0.958 256 G HN 0.363 nan 8.290 nan 0.000 0.479 257 F N 0.553 120.467 119.950 -0.060 0.000 2.449 257 F HA 0.414 4.941 4.527 0.000 0.000 0.342 257 F C 0.597 176.241 175.800 -0.261 0.000 1.127 257 F CA -0.914 56.898 58.000 -0.315 0.000 0.975 257 F CB 2.222 40.907 39.000 -0.526 0.000 1.146 257 F HN 0.048 nan 8.300 nan 0.000 0.444 258 K N 4.553 124.843 120.400 -0.184 0.000 2.368 258 K HA 0.438 4.758 4.320 0.000 0.000 0.282 258 K C -0.583 175.909 176.600 -0.179 0.000 1.035 258 K CA -0.052 56.154 56.287 -0.134 0.000 0.973 258 K CB 1.315 33.735 32.500 -0.132 0.000 0.957 258 K HN 0.644 nan 8.250 nan 0.000 0.474 259 I N 1.423 121.978 120.570 -0.025 0.000 2.529 259 I HA 0.127 4.297 4.170 0.000 0.000 0.284 259 I C -1.383 174.764 176.117 0.050 0.000 1.088 259 I CA -0.249 61.088 61.300 0.061 0.000 1.062 259 I CB 1.733 39.858 38.000 0.208 0.000 1.218 259 I HN 0.570 nan 8.210 nan 0.000 0.442 260 S N 7.641 123.370 115.700 0.049 0.000 2.437 260 S HA 0.583 5.053 4.470 0.000 0.000 0.305 260 S C -0.836 173.758 174.600 -0.009 0.000 1.109 260 S CA -0.532 57.697 58.200 0.049 0.000 1.099 260 S CB 0.966 64.233 63.200 0.112 0.000 1.004 260 S HN 0.664 nan 8.310 nan 0.000 0.475 261 K N 3.146 123.535 120.400 -0.019 0.000 2.324 261 K HA 0.467 4.787 4.320 0.000 0.000 0.253 261 K C -0.843 175.728 176.600 -0.049 0.000 0.932 261 K CA -0.801 55.452 56.287 -0.057 0.000 0.799 261 K CB 1.879 34.353 32.500 -0.043 0.000 1.154 261 K HN 0.728 nan 8.250 nan 0.000 0.425 262 R N 1.120 121.575 120.500 -0.075 0.000 2.472 262 R HA 0.582 4.923 4.340 0.000 0.000 0.294 262 R C -0.002 176.234 176.300 -0.106 0.000 1.243 262 R CA -0.688 55.370 56.100 -0.069 0.000 1.023 262 R CB 1.041 31.308 30.300 -0.054 0.000 1.157 262 R HN 0.797 nan 8.270 nan 0.000 0.530 263 G N 1.535 110.279 108.800 -0.095 0.000 2.416 263 G HA2 -0.026 3.934 3.960 0.000 0.000 0.203 263 G HA3 -0.026 3.934 3.960 0.000 0.000 0.203 263 G C -0.983 173.842 174.900 -0.125 0.000 1.227 263 G CA -0.407 44.615 45.100 -0.130 0.000 1.041 263 G HN 1.217 nan 8.290 nan 0.000 0.546 264 S N -2.026 113.560 115.700 -0.190 0.000 2.565 264 S HA 0.868 5.338 4.470 0.000 0.000 0.274 264 S C -0.386 174.087 174.600 -0.212 0.000 1.144 264 S CA 0.778 58.876 58.200 -0.169 0.000 0.849 264 S CB 1.408 64.569 63.200 -0.065 0.000 1.103 264 S HN 2.302 nan 8.310 nan 0.000 0.455 265 S N 0.637 116.248 115.700 -0.148 0.000 4.353 265 S HA 0.996 5.466 4.470 0.000 0.000 0.229 265 S C 0.287 174.873 174.600 -0.024 0.000 1.098 265 S CA 0.066 58.292 58.200 0.044 0.000 1.695 265 S CB 0.810 64.098 63.200 0.146 0.000 1.097 265 S HN 1.899 nan 8.310 nan 0.000 0.745 266 G N 0.021 108.838 108.800 0.029 0.000 2.682 266 G HA2 0.614 4.574 3.960 0.000 0.000 0.303 266 G HA3 0.614 4.574 3.960 0.000 0.000 0.303 266 G C -2.209 172.697 174.900 0.010 0.000 1.341 266 G CA -0.554 44.524 45.100 -0.037 0.000 0.784 266 G HN 0.561 nan 8.290 nan 0.000 0.497 267 I N 0.587 121.139 120.570 -0.030 0.000 2.436 267 I HA 0.532 4.702 4.170 0.000 0.000 0.289 267 I C -0.066 176.048 176.117 -0.005 0.000 1.010 267 I CA -0.436 60.847 61.300 -0.028 0.000 1.098 267 I CB 2.072 40.010 38.000 -0.103 0.000 1.266 267 I HN 0.510 nan 8.210 nan 0.000 0.434 268 M N 6.643 126.270 119.600 0.046 0.000 2.072 268 M HA 0.478 4.958 4.480 0.000 0.000 0.331 268 M C -1.191 175.114 176.300 0.009 0.000 1.004 268 M CA -0.454 54.868 55.300 0.037 0.000 0.952 268 M CB 0.420 33.067 32.600 0.079 0.000 1.511 268 M HN 0.392 nan 8.290 nan 0.000 0.422 269 K N 3.720 124.117 120.400 -0.004 0.000 2.284 269 K HA 0.440 4.761 4.320 0.000 0.000 0.287 269 K C -0.408 176.183 176.600 -0.015 0.000 1.081 269 K CA -0.258 56.019 56.287 -0.017 0.000 0.910 269 K CB 1.265 33.757 32.500 -0.013 0.000 1.088 269 K HN 0.672 nan 8.250 nan 0.000 0.478 270 T N 0.902 115.438 114.554 -0.029 0.000 2.739 270 T HA 0.153 4.503 4.350 0.000 0.000 0.303 270 T C -0.225 174.451 174.700 -0.040 0.000 1.389 270 T CA -0.549 61.530 62.100 -0.034 0.000 1.001 270 T CB 1.408 70.252 68.868 -0.039 0.000 1.436 270 T HN 0.506 nan 8.240 nan 0.000 0.500 271 E N 0.498 120.675 120.200 -0.038 0.000 2.385 271 E HA 0.300 4.650 4.350 0.000 0.000 0.194 271 E C 1.186 177.761 176.600 -0.041 0.000 1.013 271 E CA 0.539 56.917 56.400 -0.038 0.000 0.866 271 E CB -0.286 29.396 29.700 -0.029 0.000 0.832 271 E HN 0.721 nan 8.360 nan 0.000 0.500 272 G N 0.301 109.077 108.800 -0.039 0.000 2.720 272 G HA2 0.162 4.122 3.960 0.000 0.000 0.237 272 G HA3 0.162 4.122 3.960 0.000 0.000 0.237 272 G C -0.018 174.854 174.900 -0.046 0.000 1.239 272 G CA 0.233 45.312 45.100 -0.036 0.000 0.847 272 G HN 0.170 nan 8.290 nan 0.000 0.593 273 T N -1.241 113.288 114.554 -0.042 0.000 2.887 273 T HA 0.478 4.828 4.350 0.000 0.000 0.288 273 T C -0.217 174.457 174.700 -0.044 0.000 1.021 273 T CA -0.886 61.182 62.100 -0.053 0.000 1.000 273 T CB 1.844 70.682 68.868 -0.050 0.000 1.034 273 T HN 0.737 nan 8.240 nan 0.000 0.467 274 L N 1.210 122.397 121.223 -0.059 0.000 2.410 274 L HA 0.390 4.730 4.340 0.000 0.000 0.273 274 L C -0.145 176.707 176.870 -0.031 0.000 1.144 274 L CA 0.229 55.043 54.840 -0.044 0.000 0.863 274 L CB -0.206 41.808 42.059 -0.076 0.000 1.140 274 L HN 0.700 nan 8.230 nan 0.000 0.463 275 E N 3.913 124.105 120.200 -0.015 0.000 2.028 275 E HA 0.093 4.444 4.350 0.000 0.000 0.266 275 E C -0.320 176.277 176.600 -0.005 0.000 0.962 275 E CA -0.515 55.878 56.400 -0.012 0.000 0.784 275 E CB 0.326 30.020 29.700 -0.009 0.000 1.114 275 E HN 0.694 nan 8.360 nan 0.000 0.414 276 N N 3.520 122.215 118.700 -0.008 0.000 2.070 276 N HA -0.207 4.533 4.740 0.000 0.000 0.274 276 N C -1.045 174.466 175.510 0.003 0.000 1.292 276 N CA 0.631 53.679 53.050 -0.002 0.000 1.022 276 N CB -0.639 37.846 38.487 -0.004 0.000 1.373 276 N HN 0.633 nan 8.380 nan 0.000 0.497 277 c N 0.369 118.975 118.600 0.010 0.000 3.253 277 c HA 0.751 5.322 4.570 0.000 0.000 0.361 277 c C -1.038 173.063 174.090 0.019 0.000 1.498 277 c CA -1.074 55.261 56.329 0.010 0.000 1.163 277 c CB 0.806 43.318 42.510 0.004 0.000 1.687 277 c HN 0.627 nan 8.230 nan 0.000 0.430 278 E N 0.132 120.340 120.200 0.014 0.000 2.277 278 E HA 0.842 5.192 4.350 0.000 0.000 0.266 278 E C -0.689 175.916 176.600 0.009 0.000 0.901 278 E CA 0.192 56.602 56.400 0.017 0.000 0.782 278 E CB 2.187 31.895 29.700 0.013 0.000 1.228 278 E HN 1.071 nan 8.360 nan 0.000 0.424 279 T N 1.771 116.331 114.554 0.010 0.000 2.775 279 T HA 0.425 4.775 4.350 0.000 0.000 0.320 279 T C -0.906 173.786 174.700 -0.014 0.000 1.597 279 T CA -0.492 61.602 62.100 -0.010 0.000 1.022 279 T CB 0.741 69.596 68.868 -0.022 0.000 1.485 279 T HN 0.376 nan 8.240 nan 0.000 0.494 280 K N 0.471 120.848 120.400 -0.038 0.000 2.521 280 K HA 0.406 4.726 4.320 0.000 0.000 0.213 280 K C -0.339 176.201 176.600 -0.101 0.000 1.223 280 K CA -0.009 56.251 56.287 -0.046 0.000 1.013 280 K CB 0.877 33.360 32.500 -0.028 0.000 1.017 280 K HN 0.548 nan 8.250 nan 0.000 0.591 281 c N 0.867 119.397 118.600 -0.117 0.000 2.609 281 c HA 0.710 5.280 4.570 0.000 0.000 0.313 281 c C -1.786 172.201 174.090 -0.172 0.000 1.175 281 c CA -0.458 55.769 56.329 -0.171 0.000 1.434 281 c CB 1.095 43.521 42.510 -0.140 0.000 2.005 281 c HN 0.330 nan 8.230 nan 0.000 0.471 282 Q N 3.337 122.996 119.800 -0.236 0.000 2.321 282 Q HA 0.676 5.016 4.340 0.000 0.000 0.270 282 Q C -0.413 175.453 176.000 -0.223 0.000 1.032 282 Q CA 0.133 55.797 55.803 -0.230 0.000 0.784 282 Q CB 2.016 30.555 28.738 -0.331 0.000 1.264 282 Q HN 0.874 nan 8.270 nan 0.000 0.448 283 T N 4.788 119.243 114.554 -0.165 0.000 2.944 283 T HA 0.422 4.772 4.350 0.000 0.000 0.284 283 T C -2.039 172.592 174.700 -0.115 0.000 1.010 283 T CA -1.600 60.420 62.100 -0.134 0.000 1.025 283 T CB 1.183 69.954 68.868 -0.162 0.000 1.079 283 T HN 0.476 nan 8.240 nan 0.000 0.516 284 P HA 0.222 nan 4.420 nan 0.000 0.245 284 P C 0.826 177.995 177.300 -0.217 0.000 1.212 284 P CA 0.427 63.447 63.100 -0.133 0.000 0.774 284 P CB 0.089 31.732 31.700 -0.095 0.000 0.999 285 L N -2.848 118.205 121.223 -0.283 0.000 2.463 285 L HA 0.407 4.747 4.340 0.000 0.000 0.219 285 L C 1.091 177.970 176.870 0.015 0.000 1.088 285 L CA 0.276 54.972 54.840 -0.241 0.000 0.849 285 L CB -0.272 41.429 42.059 -0.597 0.000 1.012 285 L HN 0.042 nan 8.230 nan 0.000 0.468 286 G N -0.421 108.372 108.800 -0.012 0.000 2.353 286 G HA2 0.317 4.278 3.960 0.000 0.000 0.308 286 G HA3 0.317 4.278 3.960 0.000 0.000 0.308 286 G C -1.120 173.789 174.900 0.015 0.000 1.418 286 G CA -0.495 44.637 45.100 0.054 0.000 0.966 286 G HN 0.088 nan 8.290 nan 0.000 0.638 287 A N -0.364 122.458 122.820 0.003 0.000 2.565 287 A HA 0.495 4.816 4.320 0.000 0.000 0.237 287 A C 0.473 178.049 177.584 -0.014 0.000 1.053 287 A CA 0.469 52.492 52.037 -0.023 0.000 0.755 287 A CB -0.113 18.876 19.000 -0.017 0.000 0.980 287 A HN 0.963 nan 8.150 nan 0.000 0.506 288 I N 2.572 123.113 120.570 -0.048 0.000 2.339 288 I HA 0.177 4.347 4.170 0.000 0.000 0.290 288 I C -0.039 176.057 176.117 -0.035 0.000 0.994 288 I CA -0.403 60.873 61.300 -0.041 0.000 1.191 288 I CB 1.447 39.394 38.000 -0.087 0.000 1.343 288 I HN 0.672 nan 8.210 nan 0.000 0.458 289 N N 4.873 123.562 118.700 -0.019 0.000 2.706 289 N HA 0.328 5.068 4.740 0.000 0.000 0.240 289 N C -1.179 174.323 175.510 -0.013 0.000 1.039 289 N CA -0.006 53.032 53.050 -0.019 0.000 0.888 289 N CB 1.095 39.572 38.487 -0.017 0.000 1.128 289 N HN 0.585 nan 8.380 nan 0.000 0.512 290 T N -0.005 114.539 114.554 -0.016 0.000 2.932 290 T HA 0.288 4.638 4.350 0.000 0.000 0.318 290 T C 0.902 175.588 174.700 -0.024 0.000 1.265 290 T CA -0.352 61.742 62.100 -0.010 0.000 1.036 290 T CB 0.844 69.718 68.868 0.009 0.000 1.209 290 T HN 0.400 nan 8.240 nan 0.000 0.484 291 T N 1.957 116.497 114.554 -0.023 0.000 3.065 291 T HA 0.368 4.718 4.350 0.000 0.000 0.252 291 T C 1.091 175.760 174.700 -0.052 0.000 1.099 291 T CA -0.103 61.975 62.100 -0.037 0.000 1.063 291 T CB -0.275 68.577 68.868 -0.027 0.000 0.948 291 T HN 0.450 nan 8.240 nan 0.000 0.506 292 L N 2.071 123.272 121.223 -0.036 0.000 2.482 292 L HA 0.230 4.570 4.340 0.000 0.000 0.273 292 L C -1.247 175.543 176.870 -0.133 0.000 1.228 292 L CA -1.595 53.221 54.840 -0.041 0.000 0.827 292 L CB 0.589 42.660 42.059 0.020 0.000 1.099 292 L HN 0.048 nan 8.230 nan 0.000 0.494 293 P HA 0.145 nan 4.420 nan 0.000 0.261 293 P C -0.770 175.968 177.300 -0.938 0.000 1.268 293 P CA 0.475 63.196 63.100 -0.631 0.000 0.833 293 P CB 0.299 31.502 31.700 -0.829 0.000 1.231 294 F N 0.413 120.305 119.950 -0.097 0.000 2.596 294 F HA 0.347 4.875 4.527 0.000 0.000 0.311 294 F C 0.624 176.388 175.800 -0.059 0.000 1.116 294 F CA -1.055 56.864 58.000 -0.134 0.000 0.957 294 F CB 1.283 40.215 39.000 -0.114 0.000 1.250 294 F HN -0.095 nan 8.300 nan 0.000 0.444 295 H N 0.308 119.454 119.070 0.127 0.000 2.812 295 H HA 0.630 5.186 4.556 0.000 0.000 0.355 295 H C -1.166 174.170 175.328 0.013 0.000 1.207 295 H CA -1.039 55.054 56.048 0.075 0.000 1.217 295 H CB 2.284 32.092 29.762 0.075 0.000 1.874 295 H HN 0.547 nan 8.280 nan 0.000 0.581 296 N N 0.429 119.286 118.700 0.261 0.000 2.547 296 N HA 0.141 4.881 4.740 0.000 0.000 0.285 296 N C -0.316 175.362 175.510 0.280 0.000 1.600 296 N CA -0.363 52.749 53.050 0.103 0.000 0.872 296 N CB -0.434 38.009 38.487 -0.072 0.000 1.412 296 N HN 0.650 nan 8.380 nan 0.000 0.489 297 I N -0.764 120.060 120.570 0.423 0.000 2.628 297 I HA 0.140 4.310 4.170 0.000 0.000 0.255 297 I C 0.135 176.418 176.117 0.278 0.000 1.119 297 I CA 0.595 61.994 61.300 0.165 0.000 1.448 297 I CB 0.016 37.972 38.000 -0.073 0.000 1.133 297 I HN 0.337 nan 8.210 nan 0.000 0.438 298 H N -0.450 118.767 119.070 0.245 0.000 3.003 298 H HA 0.061 4.617 4.556 0.000 0.000 0.288 298 H C -2.447 172.798 175.328 -0.139 0.000 1.152 298 H CA -0.769 55.289 56.048 0.017 0.000 1.625 298 H CB 2.016 31.703 29.762 -0.125 0.000 2.121 298 H HN -0.236 nan 8.280 nan 0.000 0.483 299 P HA 0.092 nan 4.420 nan 0.000 0.235 299 P C 0.743 177.770 177.300 -0.455 0.000 1.177 299 P CA 0.441 62.997 63.100 -0.906 0.000 0.785 299 P CB 0.479 31.490 31.700 -1.150 0.000 0.885 300 L N 0.513 121.439 121.223 -0.494 0.000 2.990 300 L HA 0.192 4.532 4.340 0.000 0.000 0.231 300 L C 0.480 177.280 176.870 -0.116 0.000 1.341 300 L CA -0.290 54.394 54.840 -0.260 0.000 1.208 300 L CB -0.765 41.143 42.059 -0.251 0.000 1.571 300 L HN -0.033 nan 8.230 nan 0.000 0.453 301 T N -2.191 112.285 114.554 -0.130 0.000 2.909 301 T HA 0.644 4.994 4.350 0.000 0.000 0.286 301 T C -0.081 174.495 174.700 -0.207 0.000 1.002 301 T CA -0.559 61.451 62.100 -0.150 0.000 1.074 301 T CB 1.866 70.645 68.868 -0.147 0.000 0.984 301 T HN 0.086 nan 8.240 nan 0.000 0.495 302 I N 1.968 122.360 120.570 -0.296 0.000 2.389 302 I HA 0.689 4.859 4.170 0.000 0.000 0.288 302 I C 0.869 176.648 176.117 -0.562 0.000 0.999 302 I CA -0.540 60.520 61.300 -0.400 0.000 1.129 302 I CB 0.956 38.715 38.000 -0.402 0.000 1.288 302 I HN 1.179 nan 8.210 nan 0.000 0.444 303 G N 5.177 113.455 108.800 -0.870 0.000 2.298 303 G HA2 -0.069 3.891 3.960 0.000 0.000 0.309 303 G HA3 -0.069 3.891 3.960 0.000 0.000 0.309 303 G C -1.124 173.389 174.900 -0.644 0.000 1.279 303 G CA -0.898 43.586 45.100 -1.028 0.000 1.042 303 G HN 0.543 nan 8.290 nan 0.000 0.480 304 E N 0.397 120.367 120.200 -0.382 0.000 2.003 304 E HA 0.434 4.784 4.350 0.000 0.000 0.279 304 E C -0.158 176.342 176.600 -0.167 0.000 1.132 304 E CA 0.176 56.453 56.400 -0.205 0.000 0.888 304 E CB 0.548 30.184 29.700 -0.106 0.000 1.056 304 E HN 0.629 nan 8.360 nan 0.000 0.399 305 c N 3.334 121.842 118.600 -0.153 0.000 2.971 305 c HA 0.453 5.023 4.570 0.000 0.000 0.310 305 c C -1.559 172.487 174.090 -0.074 0.000 1.285 305 c CA -1.533 54.742 56.329 -0.089 0.000 1.593 305 c CB 1.244 43.719 42.510 -0.059 0.000 2.076 305 c HN 0.543 nan 8.230 nan 0.000 0.472 306 P HA 0.013 nan 4.420 nan 0.000 0.281 306 P C -0.875 176.298 177.300 -0.212 0.000 1.461 306 P CA 0.355 63.403 63.100 -0.087 0.000 0.967 306 P CB 0.241 32.006 31.700 0.109 0.000 1.357 307 K N -1.818 118.385 120.400 -0.328 0.000 2.565 307 K HA 0.306 4.626 4.320 0.000 0.000 0.249 307 K C -1.493 174.900 176.600 -0.345 0.000 0.958 307 K CA -0.597 55.455 56.287 -0.392 0.000 0.806 307 K CB 0.463 32.593 32.500 -0.618 0.000 1.194 307 K HN 0.233 nan 8.250 nan 0.000 0.434 308 Y N 4.706 124.719 120.300 -0.477 0.000 2.377 308 Y HA 0.448 4.998 4.550 0.000 0.000 0.330 308 Y C -0.426 175.400 175.900 -0.124 0.000 1.108 308 Y CA 0.142 57.955 58.100 -0.478 0.000 1.308 308 Y CB 0.552 38.893 38.460 -0.199 0.000 1.216 308 Y HN 0.300 nan 8.280 nan 0.000 0.518 309 V N 2.923 122.429 119.914 -0.679 0.000 3.181 309 V HA 0.509 4.629 4.120 0.000 0.000 0.308 309 V C -1.056 174.691 176.094 -0.578 0.000 1.214 309 V CA -1.630 60.414 62.300 -0.427 0.000 1.053 309 V CB 2.095 33.778 31.823 -0.234 0.000 1.069 309 V HN 0.646 nan 8.190 nan 0.000 0.441 310 K N 1.812 122.036 120.400 -0.293 0.000 2.526 310 K HA 0.637 4.958 4.320 0.000 0.000 0.214 310 K C -0.466 176.057 176.600 -0.128 0.000 1.088 310 K CA 0.168 56.335 56.287 -0.200 0.000 1.058 310 K CB 0.626 33.081 32.500 -0.075 0.000 1.653 310 K HN 1.079 nan 8.250 nan 0.000 0.521 311 S N -0.838 114.776 115.700 -0.143 0.000 2.543 311 S HA 0.152 4.622 4.470 0.000 0.000 0.273 311 S C 0.423 174.977 174.600 -0.077 0.000 1.152 311 S CA -0.953 57.189 58.200 -0.098 0.000 0.910 311 S CB 1.643 64.776 63.200 -0.111 0.000 1.105 311 S HN 0.449 nan 8.310 nan 0.000 0.465 312 E N 1.173 121.344 120.200 -0.048 0.000 2.338 312 E HA -0.041 4.309 4.350 0.000 0.000 0.197 312 E C 0.576 177.159 176.600 -0.028 0.000 1.007 312 E CA 0.785 57.168 56.400 -0.028 0.000 0.849 312 E CB 0.139 29.829 29.700 -0.016 0.000 0.774 312 E HN 0.704 nan 8.360 nan 0.000 0.506 313 R N -1.578 118.896 120.500 -0.043 0.000 2.728 313 R HA 0.476 4.816 4.340 0.000 0.000 0.274 313 R C -1.245 175.018 176.300 -0.062 0.000 1.030 313 R CA -0.839 55.237 56.100 -0.040 0.000 0.876 313 R CB 0.809 31.093 30.300 -0.027 0.000 1.259 313 R HN -0.063 nan 8.270 nan 0.000 0.468 314 L N 1.825 123.016 121.223 -0.053 0.000 2.422 314 L HA 0.246 4.586 4.340 0.000 0.000 0.263 314 L C -1.109 175.737 176.870 -0.039 0.000 1.372 314 L CA -0.753 54.044 54.840 -0.071 0.000 0.857 314 L CB 2.042 44.037 42.059 -0.107 0.000 1.024 314 L HN 0.517 nan 8.230 nan 0.000 0.507 315 V N 0.140 120.033 119.914 -0.034 0.000 2.383 315 V HA 0.440 4.560 4.120 0.000 0.000 0.275 315 V C 0.361 176.443 176.094 -0.019 0.000 1.036 315 V CA -0.598 61.691 62.300 -0.019 0.000 0.889 315 V CB 1.858 33.672 31.823 -0.015 0.000 0.985 315 V HN 0.395 nan 8.190 nan 0.000 0.459 316 L N 4.155 125.374 121.223 -0.006 0.000 2.326 316 L HA 0.631 4.971 4.340 0.000 0.000 0.278 316 L C 0.880 177.751 176.870 0.000 0.000 1.092 316 L CA -0.328 54.508 54.840 -0.007 0.000 0.810 316 L CB 1.576 43.639 42.059 0.005 0.000 1.153 316 L HN 0.898 nan 8.230 nan 0.000 0.439 317 A N 2.062 124.875 122.820 -0.012 0.000 2.409 317 A HA 0.377 4.697 4.320 0.000 0.000 0.267 317 A C 0.916 178.508 177.584 0.014 0.000 1.127 317 A CA -0.077 51.959 52.037 -0.002 0.000 0.795 317 A CB 0.328 19.314 19.000 -0.023 0.000 1.061 317 A HN 0.880 nan 8.150 nan 0.000 0.502 318 T N 0.683 115.274 114.554 0.063 0.000 3.034 318 T HA 0.391 4.741 4.350 0.000 0.000 0.248 318 T C 1.042 175.792 174.700 0.084 0.000 1.040 318 T CA 0.630 62.788 62.100 0.097 0.000 1.107 318 T CB -0.046 68.918 68.868 0.159 0.000 0.932 318 T HN 0.905 nan 8.240 nan 0.000 0.474 319 G N 1.640 110.472 108.800 0.052 0.000 2.990 319 G HA2 0.709 4.669 3.960 0.000 0.000 0.208 319 G HA3 0.709 4.669 3.960 0.000 0.000 0.208 319 G C -0.752 174.020 174.900 -0.213 0.000 1.334 319 G CA -1.202 43.745 45.100 -0.256 0.000 1.024 319 G HN 0.591 nan 8.290 nan 0.000 0.574 320 L N -1.378 119.510 121.223 -0.557 0.000 2.387 320 L HA 0.785 5.126 4.340 0.000 0.000 0.266 320 L C 0.877 177.602 176.870 -0.242 0.000 1.059 320 L CA -1.268 53.333 54.840 -0.399 0.000 0.801 320 L CB 1.154 42.794 42.059 -0.698 0.000 1.223 320 L HN 0.766 nan 8.230 nan 0.000 0.456 321 R N 0.532 120.905 120.500 -0.212 0.000 2.783 321 R HA 0.370 4.710 4.340 0.000 0.000 0.276 321 R C -0.772 175.441 176.300 -0.145 0.000 1.223 321 R CA -0.516 55.493 56.100 -0.152 0.000 1.173 321 R CB 0.266 30.487 30.300 -0.131 0.000 1.157 321 R HN 0.725 nan 8.270 nan 0.000 0.600 322 N N -1.210 117.435 118.700 -0.091 0.000 2.229 322 N HA 0.375 5.115 4.740 0.000 0.000 0.298 322 N C -1.361 174.130 175.510 -0.033 0.000 1.114 322 N CA -0.638 52.382 53.050 -0.051 0.000 0.776 322 N CB 2.440 40.908 38.487 -0.033 0.000 1.501 322 N HN 0.523 nan 8.380 nan 0.000 0.474 323 V N -0.852 119.059 119.914 -0.005 0.000 4.415 323 V HA 0.323 4.444 4.120 0.000 0.000 0.719 323 V C -2.405 173.699 176.094 0.017 0.000 2.114 323 V CA -1.060 61.242 62.300 0.002 0.000 3.163 323 V CB -0.383 31.440 31.823 0.000 0.000 1.047 323 V HN 0.421 nan 8.190 nan 0.000 0.650 324 P HA 0.430 nan 4.420 nan 0.000 0.271 324 P C -0.214 177.096 177.300 0.018 0.000 1.233 324 P CA 0.356 63.467 63.100 0.019 0.000 0.789 324 P CB 0.703 32.408 31.700 0.009 0.000 0.951 331 L N -0.815 120.323 121.223 -0.142 0.000 3.154 331 L HA 0.529 4.869 4.340 0.000 0.000 0.280 331 L C 0.256 176.923 176.870 -0.338 0.000 1.134 331 L CA 0.391 55.061 54.840 -0.283 0.000 1.037 331 L CB 0.626 42.420 42.059 -0.441 0.000 1.571 331 L HN 0.157 nan 8.230 nan 0.000 0.576 332 F N 0.200 120.153 119.950 0.006 0.000 2.698 332 F HA 0.460 4.987 4.527 0.000 0.000 0.304 332 F C 1.688 177.530 175.800 0.070 0.000 1.108 332 F CA 0.261 58.280 58.000 0.032 0.000 1.263 332 F CB 0.435 39.450 39.000 0.024 0.000 1.013 332 F HN 0.156 nan 8.300 nan 0.000 0.532 333 G N 0.652 109.566 108.800 0.190 0.000 2.451 333 G HA2 -0.438 3.522 3.960 0.000 0.000 0.253 333 G HA3 -0.438 3.522 3.960 0.000 0.000 0.253 333 G C 1.598 176.567 174.900 0.116 0.000 1.033 333 G CA 0.849 46.055 45.100 0.177 0.000 0.633 333 G HN 0.569 nan 8.290 nan 0.000 0.537 334 A N 0.829 123.701 122.820 0.086 0.000 1.828 334 A HA 0.387 4.707 4.320 0.000 0.000 0.215 334 A C 1.439 178.809 177.584 -0.356 0.000 1.203 334 A CA 1.320 53.190 52.037 -0.279 0.000 0.614 334 A CB -0.339 18.619 19.000 -0.069 0.000 0.844 334 A HN 0.874 nan 8.150 nan 0.000 0.445 335 I N -0.600 119.876 120.570 -0.156 0.000 2.618 335 I HA 0.255 4.425 4.170 0.000 0.000 0.284 335 I C 1.273 177.330 176.117 -0.101 0.000 1.146 335 I CA 0.593 61.796 61.300 -0.161 0.000 1.425 335 I CB 0.189 37.954 38.000 -0.392 0.000 1.383 335 I HN 0.651 nan 8.210 nan 0.000 0.562 336 A N 4.393 127.217 122.820 0.006 0.000 2.832 336 A HA -0.148 4.172 4.320 0.000 0.000 0.280 336 A C 0.852 178.415 177.584 -0.035 0.000 1.464 336 A CA 1.103 53.137 52.037 -0.006 0.000 0.804 336 A CB -2.013 16.968 19.000 -0.032 0.000 1.020 336 A HN 1.094 nan 8.150 nan 0.000 0.563 337 G N -1.337 107.414 108.800 -0.082 0.000 3.324 337 G HA2 0.524 4.484 3.960 0.000 0.000 0.188 337 G HA3 0.524 4.484 3.960 0.000 0.000 0.188 337 G C 0.723 175.605 174.900 -0.031 0.000 1.384 337 G CA 0.287 45.364 45.100 -0.039 0.000 0.841 337 G HN 1.175 nan 8.290 nan 0.000 0.758 338 F N 1.660 121.596 119.950 -0.022 0.000 2.025 338 F HA 0.188 4.716 4.527 0.000 0.000 0.297 338 F C 1.254 177.014 175.800 -0.066 0.000 1.132 338 F CA 0.491 58.462 58.000 -0.050 0.000 1.191 338 F CB -0.894 38.056 39.000 -0.084 0.000 0.963 338 F HN -0.001 nan 8.300 nan 0.000 0.481 339 I N 2.537 122.498 120.570 -1.015 0.000 2.574 339 I HA -0.044 4.126 4.170 0.000 0.000 0.291 339 I C 1.512 177.466 176.117 -0.271 0.000 1.131 339 I CA 0.601 61.573 61.300 -0.546 0.000 1.352 339 I CB 0.342 37.923 38.000 -0.698 0.000 1.431 339 I HN 0.499 nan 8.210 nan 0.000 0.543 340 E N 5.070 125.200 120.200 -0.116 0.000 2.358 340 E HA 0.043 4.394 4.350 0.000 0.000 0.195 340 E C 0.871 177.460 176.600 -0.018 0.000 1.010 340 E CA 0.461 56.838 56.400 -0.039 0.000 0.856 340 E CB 0.440 30.143 29.700 0.005 0.000 0.795 340 E HN 0.857 nan 8.360 nan 0.000 0.504 341 G N -1.281 107.470 108.800 -0.083 0.000 2.706 341 G HA2 0.558 4.518 3.960 0.000 0.000 0.307 341 G HA3 0.558 4.518 3.960 0.000 0.000 0.307 341 G C -0.819 173.783 174.900 -0.496 0.000 1.307 341 G CA -0.454 44.598 45.100 -0.080 0.000 0.790 341 G HN 0.196 nan 8.290 nan 0.000 0.503 342 G N -1.622 106.954 108.800 -0.373 0.000 2.694 342 G HA2 0.620 4.580 3.960 0.000 0.000 0.290 342 G HA3 0.620 4.580 3.960 0.000 0.000 0.290 342 G C -1.583 173.081 174.900 -0.393 0.000 1.386 342 G CA -0.683 43.924 45.100 -0.822 0.000 0.872 342 G HN 0.584 nan 8.290 nan 0.000 0.475 343 W N 0.223 121.332 121.300 -0.318 0.000 2.702 343 W HA 0.438 5.098 4.660 0.000 0.000 0.331 343 W C -0.189 176.018 176.519 -0.520 0.000 1.049 343 W CA -1.110 56.006 57.345 -0.381 0.000 1.230 343 W CB 1.712 30.903 29.460 -0.448 0.000 1.408 343 W HN 0.447 nan 8.180 nan 0.000 0.492 344 Q N 1.675 121.337 119.800 -0.230 0.000 2.435 344 Q HA 0.050 4.391 4.340 0.000 0.000 0.207 344 Q C 2.174 177.968 176.000 -0.343 0.000 0.956 344 Q CA 1.098 56.705 55.803 -0.327 0.000 0.917 344 Q CB -0.316 28.327 28.738 -0.159 0.000 0.997 344 Q HN 0.792 nan 8.270 nan 0.000 0.497 345 G N -0.181 108.345 108.800 -0.456 0.000 2.559 345 G HA2 -0.108 3.852 3.960 0.000 0.000 0.216 345 G HA3 -0.108 3.852 3.960 0.000 0.000 0.216 345 G C 0.512 175.143 174.900 -0.449 0.000 1.126 345 G CA -0.084 44.757 45.100 -0.432 0.000 0.778 345 G HN 0.241 nan 8.290 nan 0.000 0.543 346 M N 2.325 121.613 119.600 -0.520 0.000 3.042 346 M HA 0.130 4.610 4.480 0.000 0.000 0.283 346 M C 0.828 177.093 176.300 -0.059 0.000 1.473 346 M CA 0.105 55.264 55.300 -0.235 0.000 1.583 346 M CB 0.698 33.176 32.600 -0.203 0.000 1.221 346 M HN 0.084 nan 8.290 nan 0.000 0.518 347 V N -0.846 119.066 119.914 -0.003 0.000 3.099 347 V HA 0.206 4.326 4.120 0.000 0.000 0.356 347 V C -0.033 176.085 176.094 0.040 0.000 1.364 347 V CA 0.200 62.524 62.300 0.040 0.000 1.229 347 V CB -0.684 31.157 31.823 0.030 0.000 1.227 347 V HN 0.688 nan 8.190 nan 0.000 0.493 348 D N -0.378 120.048 120.400 0.042 0.000 2.348 348 D HA 0.475 5.115 4.640 0.000 0.000 0.283 348 D C 1.063 177.355 176.300 -0.014 0.000 1.096 348 D CA 0.805 54.819 54.000 0.024 0.000 0.863 348 D CB 0.625 41.462 40.800 0.061 0.000 1.465 348 D HN 0.607 nan 8.370 nan 0.000 0.515 349 G N -1.432 107.370 108.800 0.004 0.000 2.788 349 G HA2 0.298 4.258 3.960 0.000 0.000 0.293 349 G HA3 0.298 4.258 3.960 0.000 0.000 0.293 349 G C -0.778 174.124 174.900 0.002 0.000 1.392 349 G CA -0.782 44.294 45.100 -0.039 0.000 0.810 349 G HN -0.093 nan 8.290 nan 0.000 0.508 350 W N 0.033 121.265 121.300 -0.113 0.000 2.424 350 W HA 0.190 4.850 4.660 0.000 0.000 0.323 350 W C 0.851 177.252 176.519 -0.197 0.000 1.175 350 W CA 1.041 58.185 57.345 -0.335 0.000 1.312 350 W CB -0.612 28.351 29.460 -0.827 0.000 1.186 350 W HN 0.471 nan 8.180 nan 0.000 0.463 351 Y N -0.703 119.687 120.300 0.150 0.000 2.420 351 Y HA 0.737 5.287 4.550 0.000 0.000 0.334 351 Y C 0.579 176.406 175.900 -0.123 0.000 1.094 351 Y CA -0.656 57.427 58.100 -0.028 0.000 1.126 351 Y CB 1.119 39.546 38.460 -0.056 0.000 1.217 351 Y HN 0.059 nan 8.280 nan 0.000 0.462 352 G N 1.075 109.841 108.800 -0.057 0.000 2.899 352 G HA2 0.443 4.403 3.960 0.000 0.000 0.137 352 G HA3 0.443 4.403 3.960 0.000 0.000 0.137 352 G C -2.081 172.659 174.900 -0.267 0.000 1.198 352 G CA -0.740 44.209 45.100 -0.252 0.000 1.126 352 G HN 0.519 nan 8.290 nan 0.000 0.589 353 Y N -0.605 119.967 120.300 0.453 0.000 2.602 353 Y HA 0.768 5.318 4.550 0.000 0.000 0.342 353 Y C -0.285 176.004 175.900 0.649 0.000 1.029 353 Y CA -0.862 57.558 58.100 0.533 0.000 1.080 353 Y CB 2.245 40.943 38.460 0.397 0.000 1.284 353 Y HN 0.596 nan 8.280 nan 0.000 0.485 354 H N 1.681 121.006 119.070 0.426 0.000 3.221 354 H HA 0.289 4.845 4.556 0.000 0.000 0.324 354 H C -1.694 173.601 175.328 -0.056 0.000 1.212 354 H CA -0.592 55.396 56.048 -0.099 0.000 1.624 354 H CB 0.445 29.761 29.762 -0.744 0.000 1.899 354 H HN 0.982 nan 8.280 nan 0.000 0.538 355 H N 0.849 119.884 119.070 -0.058 0.000 2.834 355 H HA 0.661 5.218 4.556 0.000 0.000 0.369 355 H C -1.242 173.995 175.328 -0.150 0.000 1.174 355 H CA -1.088 54.907 56.048 -0.090 0.000 1.165 355 H CB 1.943 31.705 29.762 -0.000 0.000 1.820 355 H HN 0.171 nan 8.280 nan 0.000 0.558 356 S N 1.692 117.451 115.700 0.098 0.000 2.524 356 S HA 0.128 4.598 4.470 0.000 0.000 0.227 356 S C 0.296 174.935 174.600 0.065 0.000 1.304 356 S CA -0.912 57.300 58.200 0.020 0.000 1.185 356 S CB 0.500 63.649 63.200 -0.086 0.000 1.104 356 S HN 0.756 nan 8.310 nan 0.000 0.475 357 N N 2.993 121.762 118.700 0.114 0.000 2.057 357 N HA -0.071 4.669 4.740 0.000 0.000 0.184 357 N C 0.766 176.267 175.510 -0.014 0.000 1.093 357 N CA 1.609 54.673 53.050 0.024 0.000 0.902 357 N CB 0.088 38.597 38.487 0.036 0.000 1.040 357 N HN 0.545 nan 8.380 nan 0.000 0.435 358 D N -1.744 118.652 120.400 -0.007 0.000 2.335 358 D HA 0.114 4.754 4.640 0.000 0.000 0.284 358 D C -0.668 175.627 176.300 -0.009 0.000 1.096 358 D CA 0.086 54.077 54.000 -0.015 0.000 0.844 358 D CB 0.269 41.059 40.800 -0.016 0.000 1.454 358 D HN 0.432 nan 8.370 nan 0.000 0.526 359 Q N 0.701 120.502 119.800 0.001 0.000 2.503 359 Q HA 0.537 4.877 4.340 0.000 0.000 0.227 359 Q C 1.071 177.070 176.000 -0.003 0.000 1.109 359 Q CA -0.094 55.709 55.803 0.001 0.000 0.922 359 Q CB 1.170 29.915 28.738 0.011 0.000 1.249 359 Q HN 0.160 nan 8.270 nan 0.000 0.530 360 G N 2.520 111.304 108.800 -0.026 0.000 2.660 360 G HA2 -0.411 3.550 3.960 0.000 0.000 0.338 360 G HA3 -0.411 3.550 3.960 0.000 0.000 0.338 360 G C -0.214 174.636 174.900 -0.083 0.000 1.336 360 G CA -0.126 44.941 45.100 -0.055 0.000 0.990 360 G HN 0.945 nan 8.290 nan 0.000 0.537 361 S N -1.818 113.811 115.700 -0.119 0.000 3.282 361 S HA 0.433 4.903 4.470 0.000 0.000 0.856 361 S C 0.787 175.182 174.600 -0.341 0.000 1.110 361 S CA 1.510 59.575 58.200 -0.226 0.000 1.106 361 S CB -1.060 62.000 63.200 -0.233 0.000 0.770 361 S HN 2.971 nan 8.310 nan 0.000 0.262 362 G N 1.242 109.781 108.800 -0.436 0.000 2.369 362 G HA2 0.414 4.374 3.960 0.000 0.000 0.293 362 G HA3 0.414 4.374 3.960 0.000 0.000 0.293 362 G C -2.396 172.231 174.900 -0.456 0.000 1.301 362 G CA -0.809 44.042 45.100 -0.415 0.000 0.913 362 G HN 0.899 nan 8.290 nan 0.000 0.540 363 Y N -0.339 119.952 120.300 -0.015 0.000 2.512 363 Y HA 0.862 5.413 4.550 0.000 0.000 0.348 363 Y C 0.568 176.556 175.900 0.148 0.000 0.990 363 Y CA -0.181 57.974 58.100 0.091 0.000 1.033 363 Y CB 2.360 40.873 38.460 0.090 0.000 1.259 363 Y HN 1.404 nan 8.280 nan 0.000 0.461 364 A N 1.001 124.090 122.820 0.449 0.000 2.610 364 A HA 0.980 5.300 4.320 0.000 0.000 0.291 364 A C -1.783 176.015 177.584 0.357 0.000 1.086 364 A CA -0.280 51.984 52.037 0.379 0.000 0.677 364 A CB 1.282 20.534 19.000 0.421 0.000 1.278 364 A HN 1.138 nan 8.150 nan 0.000 0.414 365 A N 0.163 123.144 122.820 0.267 0.000 2.498 365 A HA 0.715 5.035 4.320 0.000 0.000 0.298 365 A C -1.452 176.242 177.584 0.184 0.000 1.075 365 A CA -0.455 51.690 52.037 0.179 0.000 0.714 365 A CB 1.316 20.397 19.000 0.135 0.000 1.299 365 A HN 0.695 nan 8.150 nan 0.000 0.407 366 D N 1.320 121.804 120.400 0.140 0.000 2.352 366 D HA 0.186 4.827 4.640 0.000 0.000 0.245 366 D C 0.001 176.385 176.300 0.138 0.000 1.224 366 D CA 0.107 54.201 54.000 0.157 0.000 0.879 366 D CB 0.726 41.589 40.800 0.106 0.000 1.057 366 D HN 0.422 nan 8.370 nan 0.000 0.491 367 K N 2.601 123.074 120.400 0.121 0.000 3.225 367 K HA 0.005 4.325 4.320 0.000 0.000 0.282 367 K C 0.614 177.269 176.600 0.093 0.000 1.060 367 K CA 0.230 56.570 56.287 0.089 0.000 1.186 367 K CB 0.293 32.837 32.500 0.073 0.000 1.214 367 K HN 0.425 nan 8.250 nan 0.000 0.428 368 E N -0.360 119.906 120.200 0.111 0.000 3.242 368 E HA -0.018 4.332 4.350 0.000 0.000 0.122 368 E C -0.327 176.335 176.600 0.102 0.000 0.893 368 E CA -0.017 56.444 56.400 0.102 0.000 1.520 368 E CB 0.215 29.972 29.700 0.095 0.000 1.004 368 E HN 0.151 nan 8.360 nan 0.000 0.373 369 S N -2.262 113.522 115.700 0.141 0.000 3.327 369 S HA -0.047 4.423 4.470 0.000 0.000 0.175 369 S C 1.335 176.162 174.600 0.377 0.000 0.888 369 S CA 0.729 59.004 58.200 0.124 0.000 1.332 369 S CB -0.325 62.861 63.200 -0.023 0.000 1.191 369 S HN 0.144 nan 8.310 nan 0.000 0.367 370 T N 2.245 117.078 114.554 0.465 0.000 2.833 370 T HA -0.007 4.343 4.350 0.000 0.000 0.269 370 T C 1.514 176.456 174.700 0.403 0.000 1.054 370 T CA 1.339 63.790 62.100 0.585 0.000 1.135 370 T CB -0.208 68.822 68.868 0.270 0.000 0.869 370 T HN 0.290 nan 8.240 nan 0.000 0.466 371 Q N 0.277 120.227 119.800 0.251 0.000 2.451 371 Q HA 0.095 4.435 4.340 0.000 0.000 0.206 371 Q C 2.114 178.246 176.000 0.220 0.000 0.947 371 Q CA 0.491 56.400 55.803 0.176 0.000 0.937 371 Q CB 0.107 28.909 28.738 0.106 0.000 1.025 371 Q HN 0.512 nan 8.270 nan 0.000 0.511 372 K N -0.353 120.212 120.400 0.276 0.000 2.211 372 K HA 0.084 4.404 4.320 0.000 0.000 0.201 372 K C 1.419 178.268 176.600 0.415 0.000 1.052 372 K CA 0.822 57.272 56.287 0.271 0.000 0.973 372 K CB 0.271 32.887 32.500 0.193 0.000 0.766 372 K HN 0.020 nan 8.250 nan 0.000 0.466 373 A N -0.077 123.070 122.820 0.546 0.000 2.308 373 A HA 0.206 4.526 4.320 0.000 0.000 0.217 373 A C 1.995 180.009 177.584 0.716 0.000 1.216 373 A CA 0.306 52.769 52.037 0.710 0.000 0.864 373 A CB -0.638 18.759 19.000 0.662 0.000 0.902 373 A HN 0.299 nan 8.150 nan 0.000 0.499 374 F N 1.304 121.627 119.950 0.621 0.000 2.049 374 F HA -0.048 4.479 4.527 0.000 0.000 0.288 374 F C 1.912 177.850 175.800 0.231 0.000 1.141 374 F CA 1.162 59.398 58.000 0.393 0.000 1.165 374 F CB -1.134 37.924 39.000 0.096 0.000 1.012 374 F HN 0.441 nan 8.300 nan 0.000 0.475 375 D N 0.350 120.846 120.400 0.160 0.000 2.392 375 D HA 0.116 4.756 4.640 0.000 0.000 0.228 375 D C 1.748 178.102 176.300 0.089 0.000 1.003 375 D CA 1.027 55.087 54.000 0.100 0.000 0.917 375 D CB -0.952 39.893 40.800 0.074 0.000 0.890 375 D HN 0.496 nan 8.370 nan 0.000 0.532 376 G N 1.183 110.060 108.800 0.128 0.000 2.615 376 G HA2 -0.035 3.925 3.960 0.000 0.000 0.213 376 G HA3 -0.035 3.925 3.960 0.000 0.000 0.213 376 G C 1.511 176.358 174.900 -0.088 0.000 1.215 376 G CA -0.136 44.980 45.100 0.028 0.000 0.843 376 G HN 0.147 nan 8.290 nan 0.000 0.571 377 I N 1.793 122.323 120.570 -0.066 0.000 2.315 377 I HA -0.176 3.994 4.170 0.000 0.000 0.251 377 I C 2.802 178.903 176.117 -0.027 0.000 1.125 377 I CA 1.459 62.702 61.300 -0.095 0.000 1.392 377 I CB -1.293 36.710 38.000 0.005 0.000 1.065 377 I HN 0.117 nan 8.210 nan 0.000 0.424 378 T N 1.272 115.843 114.554 0.027 0.000 2.622 378 T HA -0.196 4.154 4.350 0.000 0.000 0.266 378 T C 1.666 176.362 174.700 -0.007 0.000 1.047 378 T CA 2.135 64.248 62.100 0.023 0.000 1.159 378 T CB -0.322 68.569 68.868 0.039 0.000 0.863 378 T HN 0.321 nan 8.240 nan 0.000 0.422 379 N N 1.034 119.723 118.700 -0.018 0.000 2.137 379 N HA -0.130 4.611 4.740 0.000 0.000 0.190 379 N C 1.540 177.022 175.510 -0.046 0.000 1.017 379 N CA 1.170 54.202 53.050 -0.029 0.000 0.859 379 N CB -0.210 38.258 38.487 -0.032 0.000 1.002 379 N HN 0.548 nan 8.380 nan 0.000 0.428 380 K N 0.019 120.374 120.400 -0.076 0.000 2.555 380 K HA 0.076 4.396 4.320 0.000 0.000 0.193 380 K C 0.791 177.359 176.600 -0.053 0.000 1.032 380 K CA 0.467 56.702 56.287 -0.087 0.000 1.004 380 K CB 0.243 32.653 32.500 -0.150 0.000 0.804 380 K HN -0.034 nan 8.250 nan 0.000 0.496 381 V N 1.392 121.286 119.914 -0.032 0.000 2.635 381 V HA -0.108 4.012 4.120 0.000 0.000 0.233 381 V C 1.467 177.555 176.094 -0.010 0.000 1.097 381 V CA 1.281 63.574 62.300 -0.012 0.000 1.134 381 V CB -0.500 31.323 31.823 0.001 0.000 0.841 381 V HN 0.466 nan 8.190 nan 0.000 0.496 382 N N 0.472 119.164 118.700 -0.012 0.000 2.184 382 N HA -0.214 4.526 4.740 0.000 0.000 0.190 382 N C 1.857 177.356 175.510 -0.019 0.000 1.011 382 N CA 1.473 54.514 53.050 -0.016 0.000 0.867 382 N CB -0.220 38.259 38.487 -0.014 0.000 0.993 382 N HN 0.280 nan 8.380 nan 0.000 0.433 383 S N 0.243 115.931 115.700 -0.019 0.000 2.400 383 S HA -0.076 4.395 4.470 0.000 0.000 0.232 383 S C 2.078 176.673 174.600 -0.009 0.000 1.025 383 S CA 0.671 58.860 58.200 -0.018 0.000 0.993 383 S CB -0.071 63.114 63.200 -0.024 0.000 0.808 383 S HN 0.161 nan 8.310 nan 0.000 0.478 384 V N 1.190 121.103 119.914 -0.002 0.000 2.488 384 V HA -0.046 4.074 4.120 0.000 0.000 0.246 384 V C 1.847 177.933 176.094 -0.014 0.000 1.046 384 V CA 1.299 63.611 62.300 0.020 0.000 1.053 384 V CB -0.428 31.425 31.823 0.051 0.000 0.679 384 V HN 0.447 nan 8.190 nan 0.000 0.458 385 I N -0.474 120.077 120.570 -0.032 0.000 2.296 385 I HA -0.104 4.066 4.170 0.000 0.000 0.242 385 I C 2.452 178.521 176.117 -0.081 0.000 1.087 385 I CA 1.127 62.384 61.300 -0.072 0.000 1.393 385 I CB -0.358 37.613 38.000 -0.049 0.000 1.093 385 I HN 0.269 nan 8.210 nan 0.000 0.421 386 E N 1.186 121.355 120.200 -0.052 0.000 2.017 386 E HA -0.201 4.150 4.350 0.000 0.000 0.193 386 E C 2.065 178.635 176.600 -0.049 0.000 0.997 386 E CA 1.017 57.389 56.400 -0.047 0.000 0.804 386 E CB -0.054 29.628 29.700 -0.030 0.000 0.757 386 E HN 0.222 nan 8.360 nan 0.000 0.448 387 K N 0.595 120.975 120.400 -0.034 0.000 2.211 387 K HA -0.100 4.220 4.320 0.000 0.000 0.204 387 K C 1.099 177.683 176.600 -0.027 0.000 1.047 387 K CA 0.339 56.614 56.287 -0.020 0.000 0.935 387 K CB -0.516 31.983 32.500 -0.002 0.000 0.728 387 K HN 0.172 nan 8.250 nan 0.000 0.452 388 M N 1.910 121.472 119.600 -0.063 0.000 2.269 388 M HA -0.041 4.439 4.480 0.000 0.000 0.350 388 M C -0.116 176.105 176.300 -0.131 0.000 1.429 388 M CA 0.558 55.788 55.300 -0.117 0.000 1.063 388 M CB 0.025 32.474 32.600 -0.252 0.000 1.841 388 M HN 0.031 nan 8.290 nan 0.000 0.455 389 N N 2.526 121.158 118.700 -0.113 0.000 2.513 389 N HA 0.317 5.057 4.740 0.000 0.000 0.274 389 N C -1.144 174.283 175.510 -0.138 0.000 1.189 389 N CA -0.334 52.661 53.050 -0.093 0.000 0.975 389 N CB 0.818 39.281 38.487 -0.039 0.000 1.157 389 N HN 0.750 nan 8.380 nan 0.000 0.465 390 T N 1.669 116.164 114.554 -0.098 0.000 2.886 390 T HA 0.330 4.680 4.350 0.000 0.000 0.292 390 T C -1.284 173.385 174.700 -0.051 0.000 1.012 390 T CA -0.474 61.567 62.100 -0.099 0.000 0.982 390 T CB 1.399 70.208 68.868 -0.098 0.000 1.018 390 T HN 0.480 nan 8.240 nan 0.000 0.451 391 Q N 1.304 121.078 119.800 -0.043 0.000 2.495 391 Q HA 0.438 4.778 4.340 0.000 0.000 0.287 391 Q C -1.283 174.744 176.000 0.045 0.000 1.078 391 Q CA -0.952 54.863 55.803 0.019 0.000 0.793 391 Q CB 2.601 31.358 28.738 0.032 0.000 1.459 391 Q HN 0.699 nan 8.270 nan 0.000 0.422 392 F N 1.477 121.406 119.950 -0.035 0.000 2.462 392 F HA 0.326 4.853 4.527 0.000 0.000 0.360 392 F C 0.078 175.859 175.800 -0.032 0.000 1.134 392 F CA 0.078 58.056 58.000 -0.036 0.000 1.148 392 F CB -0.047 38.936 39.000 -0.029 0.000 1.147 392 F HN 0.634 nan 8.300 nan 0.000 0.550 393 E N 4.139 124.322 120.200 -0.028 0.000 2.244 393 E HA 0.811 5.161 4.350 0.000 0.000 0.266 393 E C -1.487 175.060 176.600 -0.089 0.000 0.914 393 E CA -0.682 55.747 56.400 0.049 0.000 0.794 393 E CB 1.853 31.549 29.700 -0.006 0.000 1.210 393 E HN 0.925 nan 8.360 nan 0.000 0.414 394 A N 1.123 123.973 122.820 0.051 0.000 2.466 394 A HA 0.535 4.856 4.320 0.000 0.000 0.291 394 A C 0.818 178.399 177.584 -0.006 0.000 1.234 394 A CA -0.216 51.811 52.037 -0.017 0.000 0.752 394 A CB 0.428 19.465 19.000 0.062 0.000 1.153 394 A HN 1.006 nan 8.150 nan 0.000 0.458 395 V N 2.761 122.652 119.914 -0.039 0.000 2.867 395 V HA -0.104 4.017 4.120 0.000 0.000 0.260 395 V C 2.329 178.417 176.094 -0.011 0.000 1.099 395 V CA 1.713 64.003 62.300 -0.016 0.000 1.122 395 V CB -1.816 29.974 31.823 -0.054 0.000 0.708 395 V HN 0.896 nan 8.190 nan 0.000 0.490 396 G N 1.194 109.976 108.800 -0.030 0.000 2.041 396 G HA2 -0.110 3.850 3.960 0.000 0.000 0.187 396 G HA3 -0.110 3.850 3.960 0.000 0.000 0.187 396 G C 0.391 175.288 174.900 -0.005 0.000 1.497 396 G CA 1.181 46.265 45.100 -0.028 0.000 1.012 396 G HN 0.993 nan 8.290 nan 0.000 0.383 397 K N -2.128 118.244 120.400 -0.047 0.000 6.995 397 K HA -0.111 4.209 4.320 0.000 0.000 0.597 397 K C -1.316 175.165 176.600 -0.200 0.000 2.558 397 K CA 0.601 56.819 56.287 -0.116 0.000 2.005 397 K CB -1.037 31.415 32.500 -0.079 0.000 2.517 397 K HN 0.508 nan 8.250 nan 0.000 0.266 398 E N 1.293 121.209 120.200 -0.474 0.000 2.299 398 E HA 0.734 5.085 4.350 0.000 0.000 0.265 398 E C -0.818 175.290 176.600 -0.820 0.000 0.911 398 E CA -0.794 55.358 56.400 -0.414 0.000 0.789 398 E CB 1.247 30.781 29.700 -0.277 0.000 1.246 398 E HN 0.378 nan 8.360 nan 0.000 0.427 399 F N 0.002 119.958 119.950 0.010 0.000 2.628 399 F HA 0.154 4.681 4.527 0.000 0.000 0.309 399 F C 0.539 176.362 175.800 0.039 0.000 1.108 399 F CA -0.880 57.135 58.000 0.024 0.000 0.971 399 F CB 1.793 40.806 39.000 0.020 0.000 1.279 399 F HN 0.366 nan 8.300 nan 0.000 0.441 400 S N 0.673 116.513 115.700 0.233 0.000 2.608 400 S HA 0.071 4.541 4.470 0.000 0.000 0.261 400 S C 0.997 175.684 174.600 0.145 0.000 1.314 400 S CA -0.113 58.187 58.200 0.166 0.000 0.992 400 S CB 0.717 64.006 63.200 0.148 0.000 0.935 400 S HN 0.757 nan 8.310 nan 0.000 0.564 401 N N 0.532 119.299 118.700 0.112 0.000 2.443 401 N HA -0.004 4.736 4.740 0.000 0.000 0.184 401 N C 0.817 176.369 175.510 0.070 0.000 1.037 401 N CA 1.111 54.211 53.050 0.084 0.000 0.896 401 N CB -0.553 37.976 38.487 0.070 0.000 0.959 401 N HN 0.699 nan 8.380 nan 0.000 0.442 402 L N -0.069 121.202 121.223 0.080 0.000 2.910 402 L HA 0.268 4.609 4.340 0.000 0.000 0.252 402 L C -0.177 176.734 176.870 0.067 0.000 1.195 402 L CA 0.115 54.992 54.840 0.063 0.000 1.003 402 L CB 0.204 42.298 42.059 0.059 0.000 1.328 402 L HN 0.066 nan 8.230 nan 0.000 0.540 403 E N -0.356 119.897 120.200 0.088 0.000 3.105 403 E HA 0.072 4.423 4.350 0.000 0.000 0.219 403 E C 0.746 177.339 176.600 -0.012 0.000 1.064 403 E CA -0.243 56.207 56.400 0.083 0.000 1.342 403 E CB 0.589 30.423 29.700 0.223 0.000 1.295 403 E HN 0.003 nan 8.360 nan 0.000 0.438 404 K N 0.372 120.759 120.400 -0.021 0.000 2.044 404 K HA 0.011 4.331 4.320 0.000 0.000 0.204 404 K C 1.727 178.263 176.600 -0.106 0.000 1.049 404 K CA 0.907 57.159 56.287 -0.058 0.000 0.945 404 K CB -0.009 32.476 32.500 -0.025 0.000 0.724 404 K HN 0.150 nan 8.250 nan 0.000 0.440 405 R N 0.482 120.935 120.500 -0.078 0.000 2.127 405 R HA -0.131 4.209 4.340 0.000 0.000 0.238 405 R C 2.270 178.487 176.300 -0.138 0.000 1.134 405 R CA 1.105 57.153 56.100 -0.086 0.000 0.975 405 R CB -0.347 29.921 30.300 -0.052 0.000 0.865 405 R HN 0.050 nan 8.270 nan 0.000 0.447 406 L N 0.917 122.032 121.223 -0.180 0.000 2.084 406 L HA -0.082 4.259 4.340 0.000 0.000 0.202 406 L C 2.313 178.849 176.870 -0.556 0.000 1.074 406 L CA 1.675 56.365 54.840 -0.250 0.000 0.757 406 L CB -0.427 41.550 42.059 -0.138 0.000 0.918 406 L HN 0.111 nan 8.230 nan 0.000 0.444 407 E N -0.619 118.994 120.200 -0.977 0.000 2.331 407 E HA -0.297 4.054 4.350 0.000 0.000 0.199 407 E C 1.577 177.857 176.600 -0.532 0.000 1.008 407 E CA 1.395 56.974 56.400 -1.368 0.000 0.843 407 E CB -0.119 28.923 29.700 -1.096 0.000 0.761 407 E HN 0.604 nan 8.360 nan 0.000 0.507 408 N N 0.169 118.666 118.700 -0.340 0.000 2.290 408 N HA -0.116 4.624 4.740 0.000 0.000 0.179 408 N C 1.922 177.334 175.510 -0.163 0.000 1.016 408 N CA 0.661 53.596 53.050 -0.193 0.000 0.871 408 N CB -0.184 38.222 38.487 -0.134 0.000 0.987 408 N HN 0.200 nan 8.380 nan 0.000 0.431 409 L N 1.047 122.166 121.223 -0.172 0.000 2.131 409 L HA -0.063 4.277 4.340 0.000 0.000 0.210 409 L C 1.432 178.236 176.870 -0.111 0.000 1.092 409 L CA 1.815 56.582 54.840 -0.121 0.000 0.759 409 L CB -0.942 41.058 42.059 -0.099 0.000 0.903 409 L HN 0.391 nan 8.230 nan 0.000 0.435 410 N N -0.910 117.705 118.700 -0.142 0.000 2.461 410 N HA -0.168 4.572 4.740 0.000 0.000 0.188 410 N C 1.727 177.203 175.510 -0.056 0.000 1.134 410 N CA 0.824 53.833 53.050 -0.069 0.000 0.878 410 N CB -0.092 38.386 38.487 -0.016 0.000 0.972 410 N HN 0.537 nan 8.380 nan 0.000 0.456 411 K N 0.168 120.515 120.400 -0.088 0.000 2.262 411 K HA 0.020 4.340 4.320 0.000 0.000 0.200 411 K C 1.811 178.372 176.600 -0.064 0.000 1.058 411 K CA 0.305 56.555 56.287 -0.061 0.000 0.974 411 K CB -0.017 32.442 32.500 -0.068 0.000 0.910 411 K HN -0.031 nan 8.250 nan 0.000 0.484 412 K N 1.639 121.991 120.400 -0.080 0.000 2.360 412 K HA -0.097 4.223 4.320 0.000 0.000 0.201 412 K C 1.823 178.349 176.600 -0.123 0.000 1.046 412 K CA 1.320 57.556 56.287 -0.085 0.000 0.945 412 K CB -0.238 32.212 32.500 -0.082 0.000 0.750 412 K HN 0.400 nan 8.250 nan 0.000 0.464 413 M N 0.206 119.724 119.600 -0.136 0.000 2.111 413 M HA -0.101 4.379 4.480 0.000 0.000 0.257 413 M C 1.370 177.539 176.300 -0.217 0.000 1.096 413 M CA 1.699 56.861 55.300 -0.231 0.000 1.117 413 M CB -0.241 32.251 32.600 -0.179 0.000 1.265 413 M HN 0.000 nan 8.290 nan 0.000 0.427 414 E N 1.019 121.186 120.200 -0.056 0.000 2.187 414 E HA -0.245 4.105 4.350 0.000 0.000 0.199 414 E C 1.673 178.330 176.600 0.095 0.000 1.004 414 E CA 1.590 58.039 56.400 0.082 0.000 0.813 414 E CB -0.823 28.927 29.700 0.083 0.000 0.736 414 E HN 0.627 nan 8.360 nan 0.000 0.468 415 D N -0.156 120.258 120.400 0.023 0.000 2.149 415 D HA -0.055 4.585 4.640 0.000 0.000 0.201 415 D C 1.980 178.301 176.300 0.036 0.000 0.972 415 D CA 1.310 55.336 54.000 0.043 0.000 0.835 415 D CB -0.472 40.331 40.800 0.005 0.000 0.966 415 D HN 0.326 nan 8.370 nan 0.000 0.476 416 G N -0.650 108.115 108.800 -0.059 0.000 2.471 416 G HA2 -0.196 3.765 3.960 0.000 0.000 0.219 416 G HA3 -0.196 3.765 3.960 0.000 0.000 0.219 416 G C 1.204 176.105 174.900 0.002 0.000 1.125 416 G CA 0.160 45.200 45.100 -0.101 0.000 0.775 416 G HN 0.149 nan 8.290 nan 0.000 0.548 417 F N -0.287 119.720 119.950 0.095 0.000 2.317 417 F HA 0.265 4.793 4.527 0.000 0.000 0.293 417 F C 2.269 178.211 175.800 0.236 0.000 1.085 417 F CA -0.662 57.438 58.000 0.167 0.000 1.390 417 F CB -0.766 38.385 39.000 0.252 0.000 1.077 417 F HN 0.033 nan 8.300 nan 0.000 0.517 418 L N 0.699 122.159 121.223 0.395 0.000 2.013 418 L HA -0.242 4.098 4.340 0.000 0.000 0.212 418 L C 1.872 178.872 176.870 0.217 0.000 1.073 418 L CA 1.968 56.994 54.840 0.310 0.000 0.753 418 L CB -1.086 41.131 42.059 0.263 0.000 0.890 418 L HN 0.004 nan 8.230 nan 0.000 0.432 419 D N -1.254 119.237 120.400 0.151 0.000 2.149 419 D HA -0.156 4.484 4.640 0.000 0.000 0.198 419 D C 2.310 178.676 176.300 0.111 0.000 0.990 419 D CA 1.354 55.408 54.000 0.089 0.000 0.839 419 D CB -0.270 40.546 40.800 0.027 0.000 0.948 419 D HN 0.263 nan 8.370 nan 0.000 0.460 420 V N -0.250 119.740 119.914 0.127 0.000 2.231 420 V HA -0.172 3.948 4.120 0.000 0.000 0.240 420 V C 1.947 178.047 176.094 0.010 0.000 1.039 420 V CA 1.309 63.633 62.300 0.040 0.000 0.998 420 V CB -0.659 31.149 31.823 -0.025 0.000 0.639 420 V HN 0.256 nan 8.190 nan 0.000 0.451 421 W N 0.111 121.496 121.300 0.140 0.000 2.424 421 W HA -0.155 4.506 4.660 0.000 0.000 0.264 421 W C 2.488 179.027 176.519 0.034 0.000 1.229 421 W CA 1.322 58.733 57.345 0.110 0.000 1.208 421 W CB -0.722 28.823 29.460 0.143 0.000 1.127 421 W HN 0.175 nan 8.180 nan 0.000 0.588 422 T N -1.362 113.316 114.554 0.207 0.000 2.937 422 T HA -0.179 4.171 4.350 0.000 0.000 0.260 422 T C 1.354 176.101 174.700 0.078 0.000 1.051 422 T CA 1.017 63.164 62.100 0.078 0.000 1.141 422 T CB -0.412 68.484 68.868 0.048 0.000 0.879 422 T HN 0.092 nan 8.240 nan 0.000 0.459 423 Y N 3.138 123.421 120.300 -0.028 0.000 2.109 423 Y HA -0.125 4.425 4.550 0.000 0.000 0.285 423 Y C 2.168 178.034 175.900 -0.057 0.000 1.131 423 Y CA 1.223 59.294 58.100 -0.047 0.000 1.121 423 Y CB -0.705 37.729 38.460 -0.044 0.000 0.987 423 Y HN 0.120 nan 8.280 nan 0.000 0.495 424 N N 0.777 119.437 118.700 -0.067 0.000 2.018 424 N HA -0.171 4.569 4.740 0.000 0.000 0.196 424 N C 1.558 176.994 175.510 -0.122 0.000 1.043 424 N CA 1.771 54.728 53.050 -0.156 0.000 0.856 424 N CB -1.215 37.209 38.487 -0.105 0.000 1.042 424 N HN 0.378 nan 8.380 nan 0.000 0.423 425 A N 0.074 122.855 122.820 -0.064 0.000 2.150 425 A HA -0.014 4.306 4.320 0.000 0.000 0.220 425 A C 1.233 178.612 177.584 -0.341 0.000 1.356 425 A CA 0.832 52.712 52.037 -0.261 0.000 1.145 425 A CB -0.733 17.812 19.000 -0.758 0.000 0.826 425 A HN 0.537 nan 8.150 nan 0.000 0.524 426 E N -1.803 118.262 120.200 -0.225 0.000 2.490 426 E HA 0.140 4.490 4.350 0.000 0.000 0.184 426 E C 0.753 177.240 176.600 -0.189 0.000 0.927 426 E CA -0.061 56.220 56.400 -0.198 0.000 1.387 426 E CB -0.055 29.547 29.700 -0.164 0.000 1.570 426 E HN 0.414 nan 8.360 nan 0.000 0.762 427 L N 1.242 122.315 121.223 -0.250 0.000 2.463 427 L HA 0.241 4.581 4.340 0.000 0.000 0.219 427 L C 2.206 178.976 176.870 -0.168 0.000 1.088 427 L CA 0.279 54.971 54.840 -0.247 0.000 0.849 427 L CB 0.058 41.876 42.059 -0.401 0.000 1.012 427 L HN 0.283 nan 8.230 nan 0.000 0.468 428 L N -0.808 120.330 121.223 -0.142 0.000 2.362 428 L HA -0.114 4.226 4.340 0.000 0.000 0.219 428 L C 2.001 178.825 176.870 -0.077 0.000 1.134 428 L CA 0.752 55.541 54.840 -0.085 0.000 0.807 428 L CB 0.161 42.199 42.059 -0.035 0.000 0.927 428 L HN -0.021 nan 8.230 nan 0.000 0.447 429 V N -0.347 119.509 119.914 -0.098 0.000 2.685 429 V HA -0.118 4.002 4.120 0.000 0.000 0.244 429 V C 2.237 178.284 176.094 -0.080 0.000 1.054 429 V CA 0.958 63.208 62.300 -0.084 0.000 1.076 429 V CB 0.364 32.129 31.823 -0.097 0.000 0.725 429 V HN 0.363 nan 8.190 nan 0.000 0.467 430 L N -1.117 120.052 121.223 -0.091 0.000 2.023 430 L HA -0.048 4.293 4.340 0.000 0.000 0.205 430 L C 1.669 178.494 176.870 -0.076 0.000 1.073 430 L CA 1.213 56.005 54.840 -0.080 0.000 0.745 430 L CB -0.318 41.691 42.059 -0.084 0.000 0.900 430 L HN 0.303 nan 8.230 nan 0.000 0.435 431 M N -0.706 118.844 119.600 -0.083 0.000 1.670 431 M HA -0.088 4.392 4.480 0.000 0.000 0.128 431 M C 1.364 177.621 176.300 -0.072 0.000 1.161 431 M CA 0.514 55.768 55.300 -0.076 0.000 0.589 431 M CB -0.020 32.532 32.600 -0.080 0.000 0.915 431 M HN 0.084 nan 8.290 nan 0.000 0.298 432 E N -1.236 118.922 120.200 -0.070 0.000 3.520 432 E HA -0.335 4.015 4.350 0.000 0.000 0.263 432 E C 1.019 177.574 176.600 -0.075 0.000 0.708 432 E CA 2.136 58.493 56.400 -0.073 0.000 0.884 432 E CB -1.514 28.147 29.700 -0.065 0.000 1.469 432 E HN 0.652 nan 8.360 nan 0.000 0.446 433 N N 0.306 118.965 118.700 -0.069 0.000 2.278 433 N HA -0.044 4.696 4.740 0.000 0.000 0.181 433 N C 1.734 177.204 175.510 -0.067 0.000 1.023 433 N CA 1.420 54.431 53.050 -0.065 0.000 0.862 433 N CB -0.200 38.252 38.487 -0.058 0.000 1.003 433 N HN 0.196 nan 8.380 nan 0.000 0.431 434 E N 0.368 120.528 120.200 -0.067 0.000 2.058 434 E HA -0.007 4.343 4.350 0.000 0.000 0.194 434 E C 0.439 176.998 176.600 -0.068 0.000 0.997 434 E CA 1.052 57.410 56.400 -0.070 0.000 0.801 434 E CB -0.021 29.636 29.700 -0.072 0.000 0.746 434 E HN 0.302 nan 8.360 nan 0.000 0.450 435 M N 0.160 119.720 119.600 -0.067 0.000 3.663 435 M HA 0.096 4.576 4.480 0.000 0.000 0.198 435 M C -0.200 176.053 176.300 -0.078 0.000 1.365 435 M CA 0.565 55.830 55.300 -0.058 0.000 1.595 435 M CB 0.288 32.850 32.600 -0.063 0.000 1.120 435 M HN -0.009 nan 8.290 nan 0.000 0.522 436 T N -1.470 113.044 114.554 -0.067 0.000 3.862 436 T HA 0.079 4.429 4.350 0.000 0.000 0.296 436 T C 0.599 175.224 174.700 -0.124 0.000 0.900 436 T CA -0.234 61.791 62.100 -0.127 0.000 0.776 436 T CB 0.204 68.991 68.868 -0.136 0.000 1.186 436 T HN 0.311 nan 8.240 nan 0.000 0.832 437 L N 1.057 122.244 121.223 -0.061 0.000 2.526 437 L HA 0.432 4.773 4.340 0.000 0.000 0.210 437 L C 1.583 178.442 176.870 -0.018 0.000 1.048 437 L CA 1.197 56.013 54.840 -0.040 0.000 0.852 437 L CB 0.238 42.264 42.059 -0.055 0.000 1.128 437 L HN -0.019 nan 8.230 nan 0.000 0.482 438 D N -0.683 119.706 120.400 -0.020 0.000 2.178 438 D HA -0.212 4.429 4.640 0.000 0.000 0.202 438 D C 1.979 178.362 176.300 0.138 0.000 0.974 438 D CA 1.009 55.010 54.000 0.001 0.000 0.841 438 D CB -0.242 40.488 40.800 -0.117 0.000 0.953 438 D HN 0.227 nan 8.370 nan 0.000 0.478 439 F N 1.716 121.636 119.950 -0.051 0.000 2.147 439 F HA -0.270 4.257 4.527 0.000 0.000 0.301 439 F C 2.179 177.955 175.800 -0.041 0.000 1.084 439 F CA 1.607 59.567 58.000 -0.067 0.000 1.268 439 F CB -0.119 38.747 39.000 -0.224 0.000 1.009 439 F HN 0.061 nan 8.300 nan 0.000 0.486 440 H N -0.982 118.060 119.070 -0.048 0.000 2.470 440 H HA -0.045 4.511 4.556 0.000 0.000 0.289 440 H C 1.917 177.196 175.328 -0.081 0.000 1.033 440 H CA 1.255 57.223 56.048 -0.133 0.000 1.331 440 H CB -0.517 29.095 29.762 -0.251 0.000 1.414 440 H HN 0.348 nan 8.280 nan 0.000 0.545 441 D N 0.109 120.551 120.400 0.071 0.000 2.075 441 D HA -0.137 4.503 4.640 0.000 0.000 0.196 441 D C 2.383 178.761 176.300 0.131 0.000 0.985 441 D CA 1.472 55.520 54.000 0.080 0.000 0.834 441 D CB -0.150 40.720 40.800 0.116 0.000 0.987 441 D HN 0.143 nan 8.370 nan 0.000 0.452 442 S N 0.026 115.899 115.700 0.288 0.000 2.414 442 S HA -0.301 4.169 4.470 0.000 0.000 0.238 442 S C 1.844 176.315 174.600 -0.215 0.000 1.055 442 S CA 2.298 60.432 58.200 -0.111 0.000 1.174 442 S CB -0.688 62.449 63.200 -0.106 0.000 1.087 442 S HN 0.282 nan 8.310 nan 0.000 0.428 443 N N 0.834 119.364 118.700 -0.282 0.000 2.096 443 N HA -0.117 4.623 4.740 0.000 0.000 0.195 443 N C 1.711 176.964 175.510 -0.427 0.000 1.017 443 N CA 1.538 54.351 53.050 -0.395 0.000 0.870 443 N CB -1.116 37.116 38.487 -0.425 0.000 1.024 443 N HN 0.346 nan 8.380 nan 0.000 0.434 444 V N 1.086 120.827 119.914 -0.288 0.000 2.223 444 V HA -0.227 3.893 4.120 0.000 0.000 0.244 444 V C 2.156 178.218 176.094 -0.054 0.000 1.045 444 V CA 1.794 63.974 62.300 -0.200 0.000 1.000 444 V CB -0.568 31.253 31.823 -0.005 0.000 0.635 444 V HN 0.336 nan 8.190 nan 0.000 0.445 445 K N 0.733 121.146 120.400 0.021 0.000 2.589 445 K HA -0.150 4.170 4.320 0.000 0.000 0.195 445 K C 1.302 177.966 176.600 0.108 0.000 1.042 445 K CA 1.794 58.178 56.287 0.162 0.000 0.940 445 K CB -0.545 32.048 32.500 0.155 0.000 0.776 445 K HN 0.668 nan 8.250 nan 0.000 0.487 446 N N -0.976 117.708 118.700 -0.027 0.000 2.294 446 N HA 0.013 4.753 4.740 0.000 0.000 0.186 446 N C 0.492 175.986 175.510 -0.026 0.000 1.107 446 N CA 0.020 53.039 53.050 -0.052 0.000 0.884 446 N CB 0.189 38.594 38.487 -0.136 0.000 1.030 446 N HN 0.061 nan 8.380 nan 0.000 0.482 447 L N 0.524 121.719 121.223 -0.046 0.000 2.558 447 L HA 0.110 4.450 4.340 0.000 0.000 0.225 447 L C 1.411 178.368 176.870 0.145 0.000 1.128 447 L CA 0.738 55.575 54.840 -0.005 0.000 0.868 447 L CB -0.518 41.449 42.059 -0.153 0.000 1.006 447 L HN 0.136 nan 8.230 nan 0.000 0.454 448 Y N 0.156 120.471 120.300 0.025 0.000 2.201 448 Y HA -0.074 4.476 4.550 0.000 0.000 0.274 448 Y C 2.094 178.058 175.900 0.107 0.000 1.085 448 Y CA 1.467 59.620 58.100 0.089 0.000 1.079 448 Y CB -0.402 38.146 38.460 0.147 0.000 1.017 448 Y HN 0.151 nan 8.280 nan 0.000 0.480 449 D N 0.667 121.093 120.400 0.043 0.000 2.315 449 D HA -0.181 4.459 4.640 0.000 0.000 0.211 449 D C 2.006 178.263 176.300 -0.072 0.000 0.977 449 D CA 1.074 55.019 54.000 -0.091 0.000 0.894 449 D CB -0.211 40.577 40.800 -0.021 0.000 0.910 449 D HN 0.360 nan 8.370 nan 0.000 0.490 450 K N 0.388 120.779 120.400 -0.015 0.000 1.965 450 K HA -0.094 4.226 4.320 0.000 0.000 0.214 450 K C 0.332 176.913 176.600 -0.032 0.000 1.046 450 K CA 0.802 57.084 56.287 -0.009 0.000 0.944 450 K CB -0.188 32.332 32.500 0.033 0.000 0.726 450 K HN -0.082 nan 8.250 nan 0.000 0.441 451 V N 2.949 122.873 119.914 0.017 0.000 2.242 451 V HA 0.058 4.178 4.120 0.000 0.000 0.242 451 V C 1.088 177.157 176.094 -0.040 0.000 1.240 451 V CA 0.589 62.877 62.300 -0.020 0.000 1.211 451 V CB -0.096 31.778 31.823 0.085 0.000 1.338 451 V HN 0.515 nan 8.190 nan 0.000 0.499 452 R N 2.369 122.720 120.500 -0.249 0.000 1.950 452 R HA 0.015 4.355 4.340 0.000 0.000 0.029 452 R C 1.254 177.366 176.300 -0.313 0.000 0.821 452 R CA -0.053 55.797 56.100 -0.417 0.000 3.453 452 R CB -0.326 29.775 30.300 -0.331 0.000 0.808 452 R HN 0.500 nan 8.270 nan 0.000 0.571 453 M N 1.710 121.188 119.600 -0.204 0.000 2.747 453 M HA 0.003 4.483 4.480 0.000 0.000 0.221 453 M C 0.994 177.218 176.300 -0.126 0.000 1.107 453 M CA 1.266 56.474 55.300 -0.152 0.000 1.031 453 M CB 0.185 32.723 32.600 -0.103 0.000 1.727 453 M HN 0.282 nan 8.290 nan 0.000 0.517 454 Q N -0.868 118.838 119.800 -0.156 0.000 2.644 454 Q HA 0.072 4.412 4.340 0.000 0.000 0.220 454 Q C 1.654 177.646 176.000 -0.015 0.000 0.866 454 Q CA 0.173 55.949 55.803 -0.044 0.000 0.915 454 Q CB 0.263 28.957 28.738 -0.074 0.000 1.191 454 Q HN 0.269 nan 8.270 nan 0.000 0.641 455 L N 1.191 122.247 121.223 -0.278 0.000 2.017 455 L HA -0.152 4.188 4.340 0.000 0.000 0.208 455 L C 1.289 178.073 176.870 -0.143 0.000 1.073 455 L CA 1.765 56.474 54.840 -0.219 0.000 0.745 455 L CB -0.859 40.801 42.059 -0.665 0.000 0.894 455 L HN 0.295 nan 8.230 nan 0.000 0.432 456 R N -0.635 119.692 120.500 -0.289 0.000 3.442 456 R HA -0.297 4.043 4.340 0.000 0.000 0.216 456 R C 1.159 177.360 176.300 -0.164 0.000 0.747 456 R CA 1.788 57.740 56.100 -0.246 0.000 1.290 456 R CB -2.050 28.050 30.300 -0.334 0.000 0.787 456 R HN 0.529 nan 8.270 nan 0.000 0.625 457 D N 0.765 121.172 120.400 0.013 0.000 2.469 457 D HA 0.045 4.685 4.640 0.000 0.000 0.213 457 D C 0.574 177.010 176.300 0.227 0.000 1.135 457 D CA -0.007 54.051 54.000 0.097 0.000 0.834 457 D CB -0.315 40.591 40.800 0.176 0.000 1.009 457 D HN 0.250 nan 8.370 nan 0.000 0.507 458 N N 0.584 119.478 118.700 0.325 0.000 2.666 458 N HA 0.012 4.752 4.740 0.000 0.000 0.194 458 N C 0.029 175.590 175.510 0.084 0.000 1.220 458 N CA 0.637 53.943 53.050 0.427 0.000 0.928 458 N CB 0.303 39.163 38.487 0.620 0.000 0.997 458 N HN 0.376 nan 8.380 nan 0.000 0.447 459 V N -2.932 116.786 119.914 -0.327 0.000 2.882 459 V HA 0.344 4.464 4.120 0.000 0.000 0.295 459 V C -0.951 174.745 176.094 -0.663 0.000 1.273 459 V CA -1.496 60.399 62.300 -0.674 0.000 0.949 459 V CB 1.731 33.079 31.823 -0.792 0.000 1.071 459 V HN 0.038 nan 8.190 nan 0.000 0.432 460 K N 2.231 122.209 120.400 -0.704 0.000 2.248 460 K HA 0.611 4.931 4.320 0.000 0.000 0.281 460 K C -0.332 176.184 176.600 -0.140 0.000 1.054 460 K CA -0.395 55.688 56.287 -0.341 0.000 0.903 460 K CB 2.321 34.699 32.500 -0.204 0.000 1.077 460 K HN 0.853 nan 8.250 nan 0.000 0.474 461 E N 3.163 123.323 120.200 -0.066 0.000 2.316 461 E HA -0.000 4.350 4.350 0.000 0.000 0.275 461 E C 0.143 176.816 176.600 0.121 0.000 1.029 461 E CA -0.449 56.020 56.400 0.115 0.000 0.871 461 E CB 0.631 30.392 29.700 0.101 0.000 1.022 461 E HN 0.551 nan 8.360 nan 0.000 0.418 462 L N 3.400 124.725 121.223 0.171 0.000 2.127 462 L HA 0.186 4.526 4.340 0.000 0.000 0.203 462 L C 1.687 178.620 176.870 0.104 0.000 1.080 462 L CA 1.506 56.416 54.840 0.116 0.000 0.768 462 L CB -0.357 41.769 42.059 0.112 0.000 0.924 462 L HN 0.936 nan 8.230 nan 0.000 0.444 463 G N -0.478 108.395 108.800 0.122 0.000 2.144 463 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 463 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 463 G C 0.679 175.673 174.900 0.157 0.000 0.988 463 G CA 0.496 45.659 45.100 0.105 0.000 0.659 463 G HN 0.436 nan 8.290 nan 0.000 0.522 464 N N -0.588 118.218 118.700 0.177 0.000 2.211 464 N HA 0.392 5.133 4.740 0.000 0.000 0.216 464 N C 1.550 177.183 175.510 0.205 0.000 1.240 464 N CA 1.488 54.639 53.050 0.169 0.000 0.895 464 N CB 0.372 38.924 38.487 0.109 0.000 1.102 464 N HN 1.514 nan 8.380 nan 0.000 0.498 465 G N 0.193 109.146 108.800 0.256 0.000 2.541 465 G HA2 -0.182 3.778 3.960 0.000 0.000 0.201 465 G HA3 -0.182 3.778 3.960 0.000 0.000 0.201 465 G C -0.133 174.819 174.900 0.088 0.000 1.026 465 G CA -0.006 45.233 45.100 0.231 0.000 0.687 465 G HN 0.400 nan 8.290 nan 0.000 0.492 466 c N 1.843 120.481 118.600 0.063 0.000 2.520 466 c HA 0.773 5.344 4.570 0.000 0.000 0.376 466 c C 0.032 174.115 174.090 -0.012 0.000 1.268 466 c CA -0.286 56.036 56.329 -0.012 0.000 2.414 466 c CB -0.079 42.447 42.510 0.027 0.000 2.521 466 c HN 0.282 nan 8.230 nan 0.000 0.618 467 F N 1.188 121.161 119.950 0.038 0.000 2.443 467 F HA 0.400 4.927 4.527 0.000 0.000 0.335 467 F C 0.307 176.048 175.800 -0.099 0.000 1.104 467 F CA -1.005 56.950 58.000 -0.075 0.000 1.013 467 F CB 1.003 39.888 39.000 -0.193 0.000 1.136 467 F HN 0.506 nan 8.300 nan 0.000 0.470 468 E N 3.213 123.460 120.200 0.078 0.000 1.963 468 E HA 0.210 4.561 4.350 0.000 0.000 0.274 468 E C -1.252 175.270 176.600 -0.130 0.000 1.061 468 E CA -0.195 56.196 56.400 -0.015 0.000 0.847 468 E CB -0.148 29.532 29.700 -0.032 0.000 1.083 468 E HN 0.256 nan 8.360 nan 0.000 0.402 469 F N 4.164 124.016 119.950 -0.162 0.000 2.443 469 F HA 0.112 4.639 4.527 0.000 0.000 0.353 469 F C 0.163 175.877 175.800 -0.144 0.000 1.101 469 F CA -0.350 57.499 58.000 -0.251 0.000 1.226 469 F CB 0.551 39.391 39.000 -0.267 0.000 1.140 469 F HN 0.523 nan 8.300 nan 0.000 0.557 470 Y N 4.313 124.794 120.300 0.302 0.000 2.470 470 Y HA 0.122 4.672 4.550 0.000 0.000 0.302 470 Y C 0.285 176.319 175.900 0.224 0.000 1.194 470 Y CA 0.163 58.396 58.100 0.222 0.000 1.271 470 Y CB -1.431 37.193 38.460 0.272 0.000 1.092 470 Y HN 0.723 nan 8.280 nan 0.000 0.513 471 H N -4.141 115.014 119.070 0.141 0.000 3.352 471 H HA 0.385 4.941 4.556 0.000 0.000 0.276 471 H C -1.190 173.957 175.328 -0.300 0.000 1.564 471 H CA -1.317 54.695 56.048 -0.060 0.000 1.210 471 H CB 0.552 30.319 29.762 0.009 0.000 1.876 471 H HN -0.391 nan 8.280 nan 0.000 0.800 472 K N 0.669 121.065 120.400 -0.007 0.000 2.281 472 K HA 0.441 4.761 4.320 0.000 0.000 0.272 472 K C -1.338 175.148 176.600 -0.189 0.000 1.048 472 K CA -0.427 55.790 56.287 -0.117 0.000 0.898 472 K CB 1.273 33.777 32.500 0.007 0.000 1.128 472 K HN 0.599 nan 8.250 nan 0.000 0.460 473 c N 5.736 124.090 118.600 -0.410 0.000 2.301 473 c HA 0.172 4.742 4.570 0.000 0.000 0.313 473 c C 0.256 174.253 174.090 -0.156 0.000 1.121 473 c CA -0.921 55.200 56.329 -0.346 0.000 1.507 473 c CB -1.030 41.139 42.510 -0.570 0.000 1.975 473 c HN 0.845 nan 8.230 nan 0.000 0.425 474 D N 3.184 123.548 120.400 -0.060 0.000 2.223 474 D HA -0.024 4.616 4.640 0.000 0.000 0.250 474 D C 0.863 177.137 176.300 -0.043 0.000 1.287 474 D CA 0.083 54.064 54.000 -0.031 0.000 0.977 474 D CB 0.454 41.258 40.800 0.006 0.000 1.177 474 D HN 0.430 nan 8.370 nan 0.000 0.536 475 D N -0.507 119.881 120.400 -0.020 0.000 2.088 475 D HA -0.187 4.454 4.640 0.000 0.000 0.191 475 D C 1.697 177.985 176.300 -0.020 0.000 0.992 475 D CA 1.437 55.421 54.000 -0.026 0.000 0.831 475 D CB -0.592 40.212 40.800 0.007 0.000 0.973 475 D HN 0.514 nan 8.370 nan 0.000 0.447 476 E N -0.094 120.113 120.200 0.012 0.000 2.273 476 E HA -0.158 4.192 4.350 0.000 0.000 0.198 476 E C 1.913 178.548 176.600 0.058 0.000 1.002 476 E CA 0.469 56.889 56.400 0.034 0.000 0.828 476 E CB -0.370 29.355 29.700 0.042 0.000 0.747 476 E HN 0.350 nan 8.360 nan 0.000 0.491 477 c N -1.014 117.620 118.600 0.057 0.000 2.538 477 c HA 0.163 4.733 4.570 0.000 0.000 0.281 477 c C 2.345 176.478 174.090 0.072 0.000 1.320 477 c CA 0.238 56.632 56.329 0.109 0.000 1.714 477 c CB -0.734 41.832 42.510 0.093 0.000 2.095 477 c HN 0.444 nan 8.230 nan 0.000 0.497 478 M N 1.239 120.818 119.600 -0.035 0.000 2.134 478 M HA -0.034 4.446 4.480 0.000 0.000 0.262 478 M C 1.666 177.878 176.300 -0.148 0.000 1.076 478 M CA 1.559 56.780 55.300 -0.131 0.000 1.143 478 M CB -1.054 31.358 32.600 -0.313 0.000 1.346 478 M HN 0.428 nan 8.290 nan 0.000 0.421 479 N N 0.995 119.625 118.700 -0.117 0.000 2.735 479 N HA -0.114 4.626 4.740 0.000 0.000 0.200 479 N C 1.016 176.526 175.510 -0.001 0.000 1.383 479 N CA 1.229 54.249 53.050 -0.051 0.000 0.939 479 N CB 0.029 38.506 38.487 -0.016 0.000 1.074 479 N HN 0.372 nan 8.380 nan 0.000 0.449 480 S N -3.233 112.477 115.700 0.016 0.000 2.691 480 S HA 0.106 4.576 4.470 0.000 0.000 0.258 480 S C 1.440 176.089 174.600 0.082 0.000 1.078 480 S CA 0.003 58.246 58.200 0.071 0.000 1.000 480 S CB -0.251 63.023 63.200 0.122 0.000 0.942 480 S HN -0.022 nan 8.310 nan 0.000 0.521 481 V N 2.388 122.319 119.914 0.029 0.000 2.490 481 V HA -0.051 4.070 4.120 0.000 0.000 0.250 481 V C 2.371 178.403 176.094 -0.103 0.000 1.061 481 V CA 2.180 64.435 62.300 -0.075 0.000 1.064 481 V CB -0.564 31.146 31.823 -0.188 0.000 0.670 481 V HN 0.494 nan 8.190 nan 0.000 0.461 482 K N -0.193 120.133 120.400 -0.123 0.000 2.168 482 K HA 0.015 4.335 4.320 0.000 0.000 0.201 482 K C 1.945 178.557 176.600 0.021 0.000 1.049 482 K CA 0.725 56.946 56.287 -0.110 0.000 0.974 482 K CB -0.239 32.122 32.500 -0.233 0.000 0.792 482 K HN 0.255 nan 8.250 nan 0.000 0.463 483 N N 0.325 119.040 118.700 0.026 0.000 2.588 483 N HA -0.132 4.609 4.740 0.000 0.000 0.190 483 N C 0.975 176.522 175.510 0.062 0.000 1.094 483 N CA 1.466 54.549 53.050 0.054 0.000 0.921 483 N CB 0.131 38.650 38.487 0.052 0.000 0.959 483 N HN 0.386 nan 8.380 nan 0.000 0.448 484 G N -1.872 106.964 108.800 0.060 0.000 2.345 484 G HA2 -0.261 3.700 3.960 0.000 0.000 0.218 484 G HA3 -0.261 3.700 3.960 0.000 0.000 0.218 484 G C 0.179 175.132 174.900 0.088 0.000 1.058 484 G CA 0.413 45.553 45.100 0.066 0.000 0.632 484 G HN 0.625 nan 8.290 nan 0.000 0.508 485 T N -0.267 114.347 114.554 0.100 0.000 2.728 485 T HA 0.644 4.994 4.350 0.000 0.000 0.296 485 T C -0.230 174.595 174.700 0.207 0.000 0.940 485 T CA -0.248 61.929 62.100 0.127 0.000 1.013 485 T CB 2.208 71.131 68.868 0.092 0.000 0.912 485 T HN 0.714 nan 8.240 nan 0.000 0.484 486 Y N 1.484 121.828 120.300 0.073 0.000 2.943 486 Y HA 0.640 5.190 4.550 0.000 0.000 0.335 486 Y C -0.901 175.099 175.900 0.167 0.000 1.266 486 Y CA -1.481 56.685 58.100 0.110 0.000 1.123 486 Y CB 1.534 40.047 38.460 0.088 0.000 1.406 486 Y HN 0.601 nan 8.280 nan 0.000 0.707 487 D N 0.521 120.419 120.400 -0.837 0.000 2.318 487 D HA 0.070 4.710 4.640 0.000 0.000 0.233 487 D C -1.188 174.835 176.300 -0.463 0.000 1.348 487 D CA -0.103 53.633 54.000 -0.440 0.000 0.983 487 D CB 0.412 41.156 40.800 -0.093 0.000 1.416 487 D HN 0.565 nan 8.370 nan 0.000 0.558 488 Y N 1.236 121.341 120.300 -0.325 0.000 2.449 488 Y HA 0.013 4.563 4.550 0.000 0.000 0.254 488 Y C 1.815 177.663 175.900 -0.086 0.000 1.140 488 Y CA 0.507 58.533 58.100 -0.124 0.000 1.272 488 Y CB 0.640 39.093 38.460 -0.012 0.000 1.114 488 Y HN 0.233 nan 8.280 nan 0.000 0.525 489 S N -0.805 114.851 115.700 -0.073 0.000 2.743 489 S HA 0.127 4.597 4.470 0.000 0.000 0.230 489 S C 1.189 175.665 174.600 -0.206 0.000 0.950 489 S CA 0.193 58.327 58.200 -0.110 0.000 0.976 489 S CB -0.022 63.142 63.200 -0.060 0.000 0.779 489 S HN 0.534 nan 8.310 nan 0.000 0.487 490 K N -0.230 119.983 120.400 -0.312 0.000 2.706 490 K HA 0.115 4.435 4.320 0.000 0.000 0.179 490 K C -0.400 175.860 176.600 -0.568 0.000 1.768 490 K CA -0.036 55.985 56.287 -0.443 0.000 1.281 490 K CB 0.093 32.263 32.500 -0.550 0.000 1.819 490 K HN 0.306 nan 8.250 nan 0.000 0.602 491 Y N 2.119 122.220 120.300 -0.331 0.000 2.495 491 Y HA 0.276 4.826 4.550 0.000 0.000 0.293 491 Y C 1.346 177.016 175.900 -0.383 0.000 1.186 491 Y CA 0.174 58.039 58.100 -0.391 0.000 1.266 491 Y CB 0.535 38.812 38.460 -0.305 0.000 1.101 491 Y HN 0.192 nan 8.280 nan 0.000 0.517 492 E N 0.933 120.906 120.200 -0.378 0.000 2.481 492 E HA -0.086 4.264 4.350 0.000 0.000 0.195 492 E C 0.340 176.816 176.600 -0.206 0.000 1.047 492 E CA 0.058 56.203 56.400 -0.424 0.000 0.867 492 E CB 0.304 29.696 29.700 -0.514 0.000 0.858 492 E HN 0.358 nan 8.360 nan 0.000 0.513 493 E N 1.346 121.436 120.200 -0.185 0.000 2.042 493 E HA 0.103 4.454 4.350 0.000 0.000 0.260 493 E C -1.217 175.327 176.600 -0.094 0.000 0.975 493 E CA 0.005 56.327 56.400 -0.130 0.000 0.799 493 E CB 0.352 29.966 29.700 -0.143 0.000 1.131 493 E HN 0.033 nan 8.360 nan 0.000 0.423 494 E N 2.210 122.379 120.200 -0.053 0.000 2.865 494 E HA 0.049 4.399 4.350 0.000 0.000 0.320 494 E C -1.831 174.735 176.600 -0.056 0.000 1.098 494 E CA -0.080 56.306 56.400 -0.023 0.000 0.632 494 E CB 0.385 30.109 29.700 0.040 0.000 1.272 494 E HN 0.219 nan 8.360 nan 0.000 0.434 495 S N 3.438 119.080 115.700 -0.096 0.000 2.411 495 S HA 0.549 5.019 4.470 0.000 0.000 0.294 495 S C -0.504 173.972 174.600 -0.207 0.000 1.115 495 S CA -0.301 57.796 58.200 -0.171 0.000 1.071 495 S CB 0.721 63.855 63.200 -0.110 0.000 0.967 495 S HN 0.526 nan 8.310 nan 0.000 0.488 496 K N 0.000 120.166 120.400 -0.390 0.000 2.780 496 K HA 0.000 4.320 4.320 0.000 0.000 0.191 496 K CA 0.000 56.116 56.287 -0.285 0.000 0.838 496 K CB 0.000 32.415 32.500 -0.141 0.000 1.064 496 K HN 0.000 nan 8.250 nan 0.000 0.543