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 3i2f_1_A DATA FIRST_RESID 2 DATA SEQUENCE VDGNYSVASN VMVPMRDGVR LAVDLYRPDA DGPVPVLLVR NPYDKFDVFA DATA SEQUENCE WSTQSTNWLE FVRDGYAVVI QDTRGLFASE GEFVPHVDDE ADAEDTLSWI DATA SEQUENCE LEQAWCDGNV GMFGVSYLGV TQWQAAVSGV GGLKAIAPSM ASADLYRAPW DATA SEQUENCE YGPGGALSVE ALLGWSALIG RQLITSRSDA RPEDAADFVQ LAAILNDVAG DATA SEQUENCE AASVTPLAEQ PLLGRLIPWV IDQVVDHPDN DESWQSISLF ERLGGLATPA DATA SEQUENCE LITAGWYDGF VGESLRTFVA VKDNADARLV VGPWSHSNLT GRNADRKFGI DATA SEQUENCE AATYPIQEAT TMHKAFFDRH LRGETDALAG VPKVRLFVMG IDEWRDETDW DATA SEQUENCE PLPDTAYTPF YLGGSGAANT STGGGTLSTS ISGTESADTY LYDPADPVPS DATA SEQUENCE LGGTLLFHNG DNGPADQRPI HDRDDVLCYS TEVLTDPVEV TGTVSARLFV DATA SEQUENCE SSSAVDTDFT AKLVDVFPDG RAIALCDGIV RMRYRETLVN PTLIEAGEIY DATA SEQUENCE EVAIDMLATS NVFLPGHRIM VQVSSSNFPK YDRNSNTGGV IAREQLEEMC DATA SEQUENCE TAVNRIHRGP EHPSHIVLPI IKR 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.123 176.094 0.048 0.000 1.182 2 V CA 0.000 62.319 62.300 0.032 0.000 1.235 2 V CB 0.000 31.836 31.823 0.022 0.000 1.184 3 D N 3.046 123.473 120.400 0.046 0.000 2.493 3 D HA 0.455 5.095 4.640 0.000 0.000 0.240 3 D C 1.167 177.508 176.300 0.068 0.000 1.142 3 D CA 2.554 56.589 54.000 0.057 0.000 0.872 3 D CB 1.035 41.861 40.800 0.045 0.000 1.173 3 D HN 1.208 nan 8.370 nan 0.000 0.467 4 G N 2.227 111.085 108.800 0.098 0.000 2.254 4 G HA2 -0.256 3.704 3.960 0.000 0.000 0.225 4 G HA3 -0.256 3.704 3.960 0.000 0.000 0.225 4 G C 0.322 175.330 174.900 0.181 0.000 1.003 4 G CA -0.446 44.726 45.100 0.120 0.000 0.622 4 G HN 0.515 nan 8.290 nan 0.000 0.507 5 N N 0.325 119.117 118.700 0.152 0.000 2.466 5 N HA 0.757 5.497 4.740 0.000 0.000 0.294 5 N C -0.380 175.270 175.510 0.234 0.000 1.129 5 N CA 0.132 53.257 53.050 0.124 0.000 0.931 5 N CB 1.313 39.819 38.487 0.033 0.000 1.193 5 N HN 0.724 nan 8.380 nan 0.000 0.500 6 Y N -2.543 117.780 120.300 0.038 0.000 2.689 6 Y HA 0.712 5.262 4.550 0.000 0.000 0.333 6 Y C -0.818 175.096 175.900 0.022 0.000 1.208 6 Y CA -1.308 56.819 58.100 0.045 0.000 1.055 6 Y CB 0.645 39.162 38.460 0.094 0.000 1.304 6 Y HN 0.450 nan 8.280 nan 0.000 0.455 7 S N 0.362 116.169 115.700 0.177 0.000 2.599 7 S HA 0.892 5.362 4.470 0.000 0.000 0.287 7 S C -1.821 172.823 174.600 0.073 0.000 1.105 7 S CA -0.731 57.492 58.200 0.039 0.000 0.899 7 S CB 1.812 65.005 63.200 -0.013 0.000 1.100 7 S HN 0.909 nan 8.310 nan 0.000 0.482 8 V N 1.145 121.032 119.914 -0.046 0.000 2.483 8 V HA 0.802 4.923 4.120 0.000 0.000 0.297 8 V C -0.038 175.960 176.094 -0.159 0.000 1.027 8 V CA -0.553 61.630 62.300 -0.195 0.000 0.855 8 V CB 1.152 32.795 31.823 -0.301 0.000 0.995 8 V HN 1.244 nan 8.190 nan 0.000 0.424 9 A N 3.482 126.207 122.820 -0.158 0.000 2.288 9 A HA 0.813 5.133 4.320 0.000 0.000 0.320 9 A C 0.074 177.635 177.584 -0.038 0.000 1.217 9 A CA -0.382 51.613 52.037 -0.071 0.000 0.840 9 A CB 0.980 19.959 19.000 -0.036 0.000 1.179 9 A HN 0.715 nan 8.150 nan 0.000 0.504 10 S N 2.263 117.975 115.700 0.020 0.000 2.541 10 S HA 0.424 4.894 4.470 0.000 0.000 0.283 10 S C 0.248 174.912 174.600 0.107 0.000 1.196 10 S CA -0.603 57.670 58.200 0.122 0.000 1.062 10 S CB 0.567 63.887 63.200 0.199 0.000 1.009 10 S HN 0.749 nan 8.310 nan 0.000 0.502 11 N N 0.247 118.995 118.700 0.080 0.000 2.740 11 N HA -0.131 4.610 4.740 0.000 0.000 0.248 11 N C -0.697 174.816 175.510 0.005 0.000 1.062 11 N CA 0.298 53.356 53.050 0.012 0.000 0.704 11 N CB -1.558 36.955 38.487 0.044 0.000 0.968 11 N HN 0.386 nan 8.380 nan 0.000 0.547 12 V N 1.389 121.310 119.914 0.011 0.000 2.479 12 V HA 0.096 4.216 4.120 0.000 0.000 0.281 12 V C 0.988 177.026 176.094 -0.094 0.000 1.031 12 V CA 0.155 62.466 62.300 0.018 0.000 1.038 12 V CB 0.872 32.766 31.823 0.120 0.000 0.981 12 V HN 0.125 nan 8.190 nan 0.000 0.478 13 M N 5.924 125.468 119.600 -0.093 0.000 2.084 13 M HA 0.368 4.849 4.480 0.000 0.000 0.351 13 M C -0.582 175.545 176.300 -0.287 0.000 1.240 13 M CA -0.311 54.896 55.300 -0.156 0.000 1.083 13 M CB 0.906 33.459 32.600 -0.080 0.000 1.593 13 M HN 0.324 nan 8.290 nan 0.000 0.463 14 V N 7.153 126.807 119.914 -0.432 0.000 2.370 14 V HA 0.439 4.559 4.120 0.000 0.000 0.283 14 V C -2.056 173.826 176.094 -0.354 0.000 1.023 14 V CA -1.502 60.387 62.300 -0.686 0.000 0.857 14 V CB 1.653 32.867 31.823 -1.015 0.000 0.985 14 V HN 0.607 nan 8.190 nan 0.000 0.443 15 P HA 0.359 nan 4.420 nan 0.000 0.284 15 P C -0.774 176.484 177.300 -0.069 0.000 1.253 15 P CA -0.439 62.599 63.100 -0.103 0.000 0.800 15 P CB 1.089 32.769 31.700 -0.034 0.000 0.961 16 M N 2.699 122.270 119.600 -0.047 0.000 2.494 16 M HA 0.288 4.768 4.480 0.000 0.000 0.300 16 M C 2.138 178.437 176.300 -0.002 0.000 1.189 16 M CA -0.751 54.536 55.300 -0.021 0.000 0.982 16 M CB 0.544 33.130 32.600 -0.023 0.000 1.534 16 M HN 0.419 nan 8.290 nan 0.000 0.488 17 R N 0.823 121.328 120.500 0.008 0.000 2.139 17 R HA -0.195 4.145 4.340 0.000 0.000 0.243 17 R C 0.529 176.833 176.300 0.006 0.000 1.145 17 R CA 2.191 58.298 56.100 0.012 0.000 0.976 17 R CB -0.682 29.626 30.300 0.013 0.000 0.866 17 R HN 0.714 nan 8.270 nan 0.000 0.449 18 D N -0.793 119.607 120.400 0.001 0.000 2.328 18 D HA 0.089 4.729 4.640 0.000 0.000 0.221 18 D C 1.178 177.476 176.300 -0.004 0.000 1.072 18 D CA 0.598 54.597 54.000 -0.001 0.000 0.850 18 D CB 0.407 41.205 40.800 -0.004 0.000 0.922 18 D HN 0.481 nan 8.370 nan 0.000 0.516 19 G N -0.262 108.535 108.800 -0.005 0.000 2.225 19 G HA2 -0.286 3.674 3.960 0.000 0.000 0.254 19 G HA3 -0.286 3.674 3.960 0.000 0.000 0.254 19 G C 0.282 175.172 174.900 -0.017 0.000 0.988 19 G CA 0.229 45.324 45.100 -0.008 0.000 0.625 19 G HN 0.392 nan 8.290 nan 0.000 0.527 20 V N 1.829 121.731 119.914 -0.021 0.000 2.637 20 V HA 0.394 4.514 4.120 0.000 0.000 0.296 20 V C 1.056 177.123 176.094 -0.045 0.000 1.046 20 V CA 0.119 62.402 62.300 -0.028 0.000 1.066 20 V CB 1.118 32.926 31.823 -0.024 0.000 0.968 20 V HN 0.401 nan 8.190 nan 0.000 0.483 21 R N 3.921 124.389 120.500 -0.054 0.000 2.346 21 R HA 0.602 4.942 4.340 0.000 0.000 0.311 21 R C -1.351 174.894 176.300 -0.092 0.000 0.983 21 R CA -0.821 55.229 56.100 -0.082 0.000 0.880 21 R CB 1.334 31.588 30.300 -0.077 0.000 1.100 21 R HN 0.408 nan 8.270 nan 0.000 0.453 22 L N 2.064 123.211 121.223 -0.127 0.000 2.317 22 L HA 0.475 4.816 4.340 0.000 0.000 0.281 22 L C -0.025 176.749 176.870 -0.160 0.000 1.024 22 L CA -0.268 54.497 54.840 -0.124 0.000 0.810 22 L CB 1.840 43.831 42.059 -0.114 0.000 1.240 22 L HN 0.720 nan 8.230 nan 0.000 0.427 23 A N 3.286 126.025 122.820 -0.134 0.000 2.331 23 A HA 0.707 5.027 4.320 0.000 0.000 0.283 23 A C -0.409 177.090 177.584 -0.142 0.000 1.142 23 A CA -0.338 51.614 52.037 -0.142 0.000 0.812 23 A CB 0.680 19.595 19.000 -0.142 0.000 1.074 23 A HN 0.736 nan 8.150 nan 0.000 0.497 24 V N -0.406 119.435 119.914 -0.121 0.000 3.040 24 V HA 0.761 4.881 4.120 0.000 0.000 0.312 24 V C -1.276 174.817 176.094 -0.001 0.000 1.115 24 V CA -1.082 61.182 62.300 -0.060 0.000 0.998 24 V CB 2.169 33.970 31.823 -0.038 0.000 1.042 24 V HN 0.702 nan 8.190 nan 0.000 0.433 25 D N 2.545 122.982 120.400 0.062 0.000 2.185 25 D HA 0.666 5.306 4.640 0.000 0.000 0.247 25 D C -0.633 175.721 176.300 0.090 0.000 1.027 25 D CA -0.016 54.028 54.000 0.074 0.000 0.861 25 D CB 2.128 43.016 40.800 0.146 0.000 1.202 25 D HN 0.657 nan 8.370 nan 0.000 0.453 26 L N 2.328 123.527 121.223 -0.040 0.000 2.298 26 L HA 0.342 4.682 4.340 0.000 0.000 0.284 26 L C -0.929 175.854 176.870 -0.146 0.000 1.013 26 L CA -0.915 53.889 54.840 -0.059 0.000 0.824 26 L CB 0.620 42.567 42.059 -0.187 0.000 1.221 26 L HN 0.231 nan 8.230 nan 0.000 0.418 27 Y N 2.987 123.305 120.300 0.028 0.000 2.434 27 Y HA 0.466 5.016 4.550 0.000 0.000 0.341 27 Y C 0.162 176.061 175.900 -0.002 0.000 0.965 27 Y CA -0.593 57.562 58.100 0.092 0.000 1.205 27 Y CB 0.797 39.367 38.460 0.183 0.000 1.121 27 Y HN 0.414 nan 8.280 nan 0.000 0.507 28 R N 4.765 125.314 120.500 0.082 0.000 2.480 28 R HA 0.437 4.777 4.340 0.000 0.000 0.306 28 R C -2.831 173.537 176.300 0.114 0.000 0.958 28 R CA -2.107 53.981 56.100 -0.019 0.000 0.861 28 R CB 1.715 31.865 30.300 -0.250 0.000 1.171 28 R HN 0.322 nan 8.270 nan 0.000 0.445 29 P HA 0.023 nan 4.420 nan 0.000 0.275 29 P C -0.920 176.447 177.300 0.112 0.000 1.228 29 P CA -0.355 62.839 63.100 0.156 0.000 0.786 29 P CB 0.620 32.396 31.700 0.126 0.000 0.927 30 D N 1.114 121.582 120.400 0.113 0.000 2.349 30 D HA 0.353 4.993 4.640 0.000 0.000 0.266 30 D C 0.225 176.563 176.300 0.063 0.000 1.293 30 D CA 0.955 54.998 54.000 0.072 0.000 0.926 30 D CB -0.343 40.492 40.800 0.059 0.000 1.090 30 D HN 0.371 nan 8.370 nan 0.000 0.502 31 A N 2.429 125.284 122.820 0.058 0.000 2.572 31 A HA 0.366 4.686 4.320 0.000 0.000 0.295 31 A C 0.417 178.030 177.584 0.048 0.000 1.072 31 A CA -0.729 51.339 52.037 0.051 0.000 0.691 31 A CB 1.480 20.513 19.000 0.055 0.000 1.291 31 A HN 0.226 nan 8.150 nan 0.000 0.404 32 D N 0.703 121.125 120.400 0.037 0.000 2.194 32 D HA 0.102 4.743 4.640 0.000 0.000 0.204 32 D C 1.169 177.490 176.300 0.036 0.000 0.964 32 D CA 1.856 55.876 54.000 0.033 0.000 0.846 32 D CB 0.268 41.082 40.800 0.023 0.000 0.962 32 D HN 0.682 nan 8.370 nan 0.000 0.490 33 G N 0.743 109.563 108.800 0.034 0.000 2.795 33 G HA2 0.461 4.421 3.960 0.000 0.000 0.267 33 G HA3 0.461 4.421 3.960 0.000 0.000 0.267 33 G C -2.571 172.362 174.900 0.055 0.000 1.362 33 G CA -0.870 44.250 45.100 0.033 0.000 1.048 33 G HN -0.115 nan 8.290 nan 0.000 0.547 34 P HA 0.381 nan 4.420 nan 0.000 0.276 34 P C -0.331 177.003 177.300 0.057 0.000 1.252 34 P CA -0.174 62.965 63.100 0.065 0.000 0.802 34 P CB 1.584 33.287 31.700 0.005 0.000 1.035 35 V N -3.655 116.318 119.914 0.098 0.000 3.074 35 V HA 0.657 4.777 4.120 0.000 0.000 0.314 35 V C -2.749 173.376 176.094 0.050 0.000 1.117 35 V CA -3.196 59.135 62.300 0.052 0.000 1.014 35 V CB 1.511 33.379 31.823 0.075 0.000 1.057 35 V HN 0.368 nan 8.190 nan 0.000 0.438 36 P HA 0.301 nan 4.420 nan 0.000 0.271 36 P C -0.817 176.591 177.300 0.181 0.000 1.218 36 P CA 0.042 63.159 63.100 0.027 0.000 0.780 36 P CB 1.250 32.898 31.700 -0.086 0.000 0.901 37 V N 3.776 123.808 119.914 0.197 0.000 2.656 37 V HA 0.387 4.507 4.120 0.000 0.000 0.307 37 V C 0.243 176.410 176.094 0.122 0.000 1.051 37 V CA -0.700 61.744 62.300 0.239 0.000 0.893 37 V CB 1.779 33.772 31.823 0.283 0.000 0.999 37 V HN 0.344 nan 8.190 nan 0.000 0.426 38 L N 5.022 126.310 121.223 0.108 0.000 2.322 38 L HA 0.651 4.992 4.340 0.000 0.000 0.281 38 L C -0.803 176.108 176.870 0.070 0.000 1.014 38 L CA -0.641 54.202 54.840 0.005 0.000 0.815 38 L CB 1.773 43.803 42.059 -0.048 0.000 1.247 38 L HN 0.465 nan 8.230 nan 0.000 0.421 39 L N 4.154 125.372 121.223 -0.008 0.000 2.329 39 L HA 0.726 5.066 4.340 0.000 0.000 0.279 39 L C -0.913 175.803 176.870 -0.257 0.000 1.014 39 L CA -0.306 54.494 54.840 -0.068 0.000 0.814 39 L CB 1.974 44.025 42.059 -0.013 0.000 1.257 39 L HN 0.292 nan 8.230 nan 0.000 0.424 40 V N 5.371 125.074 119.914 -0.351 0.000 2.483 40 V HA 0.574 4.694 4.120 0.000 0.000 0.297 40 V C -0.362 175.505 176.094 -0.378 0.000 1.027 40 V CA -0.648 61.321 62.300 -0.552 0.000 0.855 40 V CB 1.599 32.901 31.823 -0.870 0.000 0.995 40 V HN 0.698 nan 8.190 nan 0.000 0.424 41 R N 3.640 123.947 120.500 -0.321 0.000 2.265 41 R HA 0.483 4.823 4.340 0.000 0.000 0.328 41 R C -0.508 175.665 176.300 -0.213 0.000 0.969 41 R CA -0.316 55.666 56.100 -0.197 0.000 0.832 41 R CB 1.565 31.810 30.300 -0.091 0.000 1.139 41 R HN 0.778 nan 8.270 nan 0.000 0.457 42 N N 3.861 122.420 118.700 -0.235 0.000 2.410 42 N HA 0.253 4.993 4.740 0.000 0.000 0.287 42 N C -2.072 173.235 175.510 -0.338 0.000 1.044 42 N CA -1.949 50.909 53.050 -0.320 0.000 0.881 42 N CB 2.021 40.292 38.487 -0.360 0.000 1.405 42 N HN 0.246 nan 8.380 nan 0.000 0.490 43 P HA 0.055 nan 4.420 nan 0.000 0.249 43 P C -0.536 176.423 177.300 -0.567 0.000 1.229 43 P CA 0.516 63.164 63.100 -0.753 0.000 0.788 43 P CB -0.029 30.887 31.700 -1.306 0.000 1.072 44 Y N 0.027 120.278 120.300 -0.083 0.000 2.774 44 Y HA 0.394 4.944 4.550 0.000 0.000 0.305 44 Y C 0.076 175.790 175.900 -0.310 0.000 1.067 44 Y CA -1.513 56.567 58.100 -0.034 0.000 1.304 44 Y CB -0.658 37.822 38.460 0.033 0.000 1.209 44 Y HN -0.107 nan 8.280 nan 0.000 0.543 45 D N 1.593 121.641 120.400 -0.587 0.000 4.736 45 D HA -0.192 4.448 4.640 0.000 0.000 0.234 45 D C 0.974 177.067 176.300 -0.344 0.000 1.210 45 D CA 0.710 54.115 54.000 -0.992 0.000 1.126 45 D CB 0.342 40.239 40.800 -1.505 0.000 0.669 45 D HN 0.646 nan 8.370 nan 0.000 0.319 46 K N 2.145 122.382 120.400 -0.271 0.000 2.173 46 K HA -0.220 4.100 4.320 0.000 0.000 0.207 46 K C 1.835 178.506 176.600 0.119 0.000 1.046 46 K CA 1.242 57.488 56.287 -0.068 0.000 0.929 46 K CB -0.308 32.121 32.500 -0.119 0.000 0.720 46 K HN 0.290 nan 8.250 nan 0.000 0.453 47 F N 2.311 122.218 119.950 -0.073 0.000 2.134 47 F HA -0.079 4.448 4.527 0.000 0.000 0.299 47 F C 1.143 176.891 175.800 -0.087 0.000 1.097 47 F CA 0.675 58.640 58.000 -0.057 0.000 1.264 47 F CB -0.856 38.087 39.000 -0.094 0.000 1.001 47 F HN 0.119 nan 8.300 nan 0.000 0.479 48 D N 0.937 121.392 120.400 0.092 0.000 2.545 48 D HA 0.063 4.704 4.640 0.000 0.000 0.227 48 D C 1.349 177.669 176.300 0.033 0.000 1.150 48 D CA 0.097 54.100 54.000 0.005 0.000 1.046 48 D CB 0.268 41.072 40.800 0.008 0.000 1.098 48 D HN 0.110 nan 8.370 nan 0.000 0.502 49 V N 0.696 120.531 119.914 -0.131 0.000 2.951 49 V HA -0.030 4.090 4.120 0.000 0.000 0.255 49 V C 1.709 177.659 176.094 -0.241 0.000 1.088 49 V CA 0.688 62.933 62.300 -0.092 0.000 1.109 49 V CB -0.909 30.940 31.823 0.042 0.000 0.724 49 V HN 0.152 nan 8.190 nan 0.000 0.471 50 F N 1.924 121.809 119.950 -0.109 0.000 2.325 50 F HA 0.345 4.873 4.527 0.000 0.000 0.299 50 F C 2.655 178.367 175.800 -0.145 0.000 1.090 50 F CA 0.416 58.321 58.000 -0.158 0.000 1.392 50 F CB -1.344 37.599 39.000 -0.094 0.000 1.053 50 F HN 0.264 nan 8.300 nan 0.000 0.521 51 A N 0.745 123.628 122.820 0.103 0.000 1.902 51 A HA -0.175 4.145 4.320 0.000 0.000 0.217 51 A C 2.070 179.723 177.584 0.115 0.000 1.181 51 A CA 1.747 53.850 52.037 0.109 0.000 0.623 51 A CB -1.169 17.915 19.000 0.141 0.000 0.818 51 A HN 0.655 nan 8.150 nan 0.000 0.443 52 W N -1.840 119.500 121.300 0.066 0.000 2.808 52 W HA 0.236 4.897 4.660 0.000 0.000 0.266 52 W C 1.330 177.878 176.519 0.049 0.000 1.247 52 W CA 0.731 58.096 57.345 0.033 0.000 1.440 52 W CB -0.804 28.693 29.460 0.061 0.000 1.040 52 W HN 0.231 nan 8.180 nan 0.000 0.606 53 S N 1.766 117.065 115.700 -0.667 0.000 2.402 53 S HA -0.190 4.281 4.470 0.000 0.000 0.229 53 S C 1.918 176.388 174.600 -0.216 0.000 1.021 53 S CA 2.443 60.248 58.200 -0.658 0.000 0.974 53 S CB -0.702 62.117 63.200 -0.635 0.000 0.800 53 S HN 0.432 nan 8.310 nan 0.000 0.484 54 T N -0.472 113.980 114.554 -0.170 0.000 3.051 54 T HA -0.012 4.338 4.350 0.000 0.000 0.269 54 T C 1.085 175.682 174.700 -0.173 0.000 1.127 54 T CA 0.784 62.805 62.100 -0.132 0.000 1.107 54 T CB -0.223 68.570 68.868 -0.124 0.000 0.898 54 T HN 0.188 nan 8.240 nan 0.000 0.517 55 Q N 0.074 119.750 119.800 -0.206 0.000 2.188 55 Q HA 0.496 4.836 4.340 0.000 0.000 0.212 55 Q C 1.368 177.146 176.000 -0.371 0.000 0.846 55 Q CA -0.124 55.412 55.803 -0.444 0.000 0.989 55 Q CB 0.922 29.458 28.738 -0.337 0.000 1.114 55 Q HN 0.508 nan 8.270 nan 0.000 0.488 56 S N -1.104 114.559 115.700 -0.061 0.000 4.002 56 S HA 0.438 4.908 4.470 0.000 0.000 0.167 56 S C -0.272 174.449 174.600 0.201 0.000 0.914 56 S CA 0.576 58.882 58.200 0.176 0.000 1.110 56 S CB 0.240 63.738 63.200 0.497 0.000 1.714 56 S HN 0.280 nan 8.310 nan 0.000 0.858 57 T N 0.860 115.508 114.554 0.157 0.000 2.889 57 T HA 0.523 4.873 4.350 0.000 0.000 0.315 57 T C -1.557 173.072 174.700 -0.118 0.000 1.291 57 T CA -0.832 61.251 62.100 -0.028 0.000 1.028 57 T CB 1.130 69.902 68.868 -0.159 0.000 1.235 57 T HN 0.225 nan 8.240 nan 0.000 0.491 58 N N 2.575 121.100 118.700 -0.290 0.000 3.103 58 N HA 0.075 4.816 4.740 0.000 0.000 0.305 58 N C 1.135 176.253 175.510 -0.654 0.000 1.232 58 N CA -0.377 52.417 53.050 -0.427 0.000 1.190 58 N CB -0.084 38.200 38.487 -0.339 0.000 1.461 58 N HN 0.793 nan 8.380 nan 0.000 0.538 59 W N 0.220 121.160 121.300 -0.600 0.000 2.595 59 W HA 0.033 4.693 4.660 0.000 0.000 0.257 59 W C 0.659 176.845 176.519 -0.556 0.000 1.267 59 W CA -0.205 56.620 57.345 -0.868 0.000 1.300 59 W CB -0.637 28.657 29.460 -0.277 0.000 1.120 59 W HN 0.191 nan 8.180 nan 0.000 0.618 60 L N 1.201 121.930 121.223 -0.822 0.000 2.187 60 L HA -0.213 4.128 4.340 0.000 0.000 0.213 60 L C 2.810 179.480 176.870 -0.333 0.000 1.100 60 L CA 1.838 56.317 54.840 -0.602 0.000 0.765 60 L CB -0.727 40.960 42.059 -0.621 0.000 0.904 60 L HN 0.074 nan 8.230 nan 0.000 0.437 61 E N 0.309 120.288 120.200 -0.368 0.000 2.110 61 E HA -0.230 4.120 4.350 0.000 0.000 0.193 61 E C 2.150 178.746 176.600 -0.006 0.000 0.988 61 E CA 1.295 57.572 56.400 -0.206 0.000 0.804 61 E CB 0.016 29.562 29.700 -0.257 0.000 0.745 61 E HN 0.368 nan 8.360 nan 0.000 0.458 62 F N 0.421 120.382 119.950 0.018 0.000 2.126 62 F HA -0.182 4.345 4.527 0.001 0.000 0.299 62 F C 2.377 178.289 175.800 0.187 0.000 1.096 62 F CA 0.679 58.735 58.000 0.092 0.000 1.255 62 F CB -1.161 37.795 39.000 -0.073 0.000 0.997 62 F HN -0.040 nan 8.300 nan 0.000 0.479 63 V N 0.112 120.155 119.914 0.214 0.000 2.358 63 V HA -0.227 3.893 4.120 0.000 0.000 0.246 63 V C 2.331 178.449 176.094 0.040 0.000 1.047 63 V CA 1.634 63.967 62.300 0.055 0.000 1.035 63 V CB -0.704 30.950 31.823 -0.282 0.000 0.658 63 V HN 0.227 nan 8.190 nan 0.000 0.452 64 R N 0.173 120.689 120.500 0.027 0.000 2.237 64 R HA -0.098 4.243 4.340 0.000 0.000 0.219 64 R C 1.046 177.424 176.300 0.130 0.000 1.080 64 R CA 1.131 57.298 56.100 0.112 0.000 0.995 64 R CB -0.137 30.218 30.300 0.092 0.000 0.875 64 R HN 0.516 nan 8.270 nan 0.000 0.462 65 D N -1.331 119.175 120.400 0.177 0.000 2.395 65 D HA 0.143 4.783 4.640 0.000 0.000 0.213 65 D C 0.731 177.116 176.300 0.142 0.000 1.110 65 D CA 0.450 54.561 54.000 0.185 0.000 0.835 65 D CB 1.227 42.183 40.800 0.260 0.000 0.965 65 D HN 0.312 nan 8.370 nan 0.000 0.505 66 G N 0.441 109.323 108.800 0.136 0.000 2.135 66 G HA2 -0.244 3.716 3.960 0.000 0.000 0.183 66 G HA3 -0.244 3.716 3.960 0.000 0.000 0.183 66 G C -0.326 174.545 174.900 -0.048 0.000 1.004 66 G CA -0.605 44.515 45.100 0.034 0.000 0.677 66 G HN 0.242 nan 8.290 nan 0.000 0.512 67 Y N 0.673 121.038 120.300 0.109 0.000 2.352 67 Y HA 0.661 5.211 4.550 0.001 0.000 0.326 67 Y C 0.821 176.796 175.900 0.124 0.000 1.166 67 Y CA 0.030 58.191 58.100 0.103 0.000 1.182 67 Y CB 1.678 40.189 38.460 0.085 0.000 1.216 67 Y HN 0.435 nan 8.280 nan 0.000 0.474 68 A N 2.312 125.309 122.820 0.295 0.000 2.316 68 A HA 0.662 4.983 4.320 0.000 0.000 0.284 68 A C -0.959 176.793 177.584 0.280 0.000 1.115 68 A CA -0.498 51.685 52.037 0.243 0.000 0.812 68 A CB 0.383 19.516 19.000 0.223 0.000 1.064 68 A HN 0.532 nan 8.150 nan 0.000 0.489 69 V N 2.617 122.690 119.914 0.266 0.000 2.540 69 V HA 0.452 4.572 4.120 0.000 0.000 0.302 69 V C -0.528 175.712 176.094 0.243 0.000 1.035 69 V CA -0.444 61.996 62.300 0.234 0.000 0.873 69 V CB 1.759 33.690 31.823 0.180 0.000 0.992 69 V HN 0.654 nan 8.190 nan 0.000 0.428 70 V N 6.253 126.272 119.914 0.175 0.000 2.409 70 V HA 0.544 4.664 4.120 0.000 0.000 0.291 70 V C -0.310 175.813 176.094 0.047 0.000 1.020 70 V CA -0.410 62.002 62.300 0.186 0.000 0.848 70 V CB 1.707 33.692 31.823 0.270 0.000 0.990 70 V HN 0.669 nan 8.190 nan 0.000 0.430 71 I N 4.500 125.116 120.570 0.077 0.000 2.389 71 I HA 0.496 4.666 4.170 0.000 0.000 0.288 71 I C -0.233 175.868 176.117 -0.027 0.000 0.999 71 I CA -0.362 60.921 61.300 -0.028 0.000 1.129 71 I CB 1.768 39.786 38.000 0.030 0.000 1.288 71 I HN 0.628 nan 8.210 nan 0.000 0.444 72 Q N 4.916 124.659 119.800 -0.095 0.000 2.312 72 Q HA 0.273 4.614 4.340 0.000 0.000 0.263 72 Q C -1.238 174.685 176.000 -0.127 0.000 0.995 72 Q CA -0.856 54.887 55.803 -0.099 0.000 0.853 72 Q CB 1.906 30.592 28.738 -0.087 0.000 1.300 72 Q HN 0.464 nan 8.270 nan 0.000 0.448 73 D N 2.920 123.243 120.400 -0.127 0.000 2.348 73 D HA 0.073 4.713 4.640 0.000 0.000 0.253 73 D C -0.027 176.227 176.300 -0.076 0.000 1.161 73 D CA 0.255 54.190 54.000 -0.109 0.000 0.876 73 D CB 1.186 41.933 40.800 -0.088 0.000 1.160 73 D HN 0.612 nan 8.370 nan 0.000 0.459 74 T N 0.094 114.607 114.554 -0.067 0.000 2.802 74 T HA 0.092 4.443 4.350 0.000 0.000 0.305 74 T C 0.742 175.453 174.700 0.018 0.000 1.053 74 T CA -0.850 61.245 62.100 -0.008 0.000 1.058 74 T CB 0.803 69.698 68.868 0.045 0.000 0.988 74 T HN 0.341 nan 8.240 nan 0.000 0.539 75 R N 0.367 120.899 120.500 0.053 0.000 2.481 75 R HA 0.220 4.560 4.340 0.000 0.000 0.291 75 R C 1.586 177.939 176.300 0.088 0.000 0.934 75 R CA 1.466 57.596 56.100 0.049 0.000 1.116 75 R CB -0.880 29.446 30.300 0.044 0.000 0.895 75 R HN 1.227 nan 8.270 nan 0.000 0.410 76 G N 3.341 112.158 108.800 0.027 0.000 2.162 76 G HA2 -0.277 3.683 3.960 0.000 0.000 0.260 76 G HA3 -0.277 3.683 3.960 0.000 0.000 0.260 76 G C -0.148 174.711 174.900 -0.068 0.000 0.976 76 G CA 0.299 45.408 45.100 0.016 0.000 0.655 76 G HN 0.490 nan 8.290 nan 0.000 0.533 77 L N -1.008 120.152 121.223 -0.104 0.000 2.362 77 L HA 0.755 5.095 4.340 0.000 0.000 0.271 77 L C 1.434 178.253 176.870 -0.085 0.000 1.002 77 L CA -1.227 53.473 54.840 -0.234 0.000 0.818 77 L CB 1.074 42.968 42.059 -0.275 0.000 1.298 77 L HN 0.093 nan 8.230 nan 0.000 0.420 78 F N 0.837 120.693 119.950 -0.157 0.000 2.484 78 F HA -0.450 4.077 4.527 0.001 0.000 0.231 78 F C 1.816 177.531 175.800 -0.142 0.000 1.469 78 F CA 1.724 59.636 58.000 -0.146 0.000 1.998 78 F CB -1.391 37.503 39.000 -0.175 0.000 0.484 78 F HN 0.537 nan 8.300 nan 0.000 0.213 79 A N -0.131 122.714 122.820 0.041 0.000 2.208 79 A HA 0.373 4.693 4.320 0.000 0.000 0.209 79 A C 0.871 178.419 177.584 -0.061 0.000 1.161 79 A CA 1.020 53.023 52.037 -0.056 0.000 0.782 79 A CB -0.410 18.492 19.000 -0.163 0.000 0.816 79 A HN 0.360 nan 8.150 nan 0.000 0.477 80 S N 0.722 116.391 115.700 -0.052 0.000 2.584 80 S HA 0.319 4.789 4.470 0.000 0.000 0.273 80 S C 0.125 174.696 174.600 -0.048 0.000 1.311 80 S CA -0.464 57.702 58.200 -0.057 0.000 1.034 80 S CB 0.827 63.996 63.200 -0.052 0.000 0.939 80 S HN 0.588 nan 8.310 nan 0.000 0.513 81 E N 0.532 120.705 120.200 -0.045 0.000 2.351 81 E HA 0.589 4.939 4.350 0.000 0.000 0.255 81 E C 0.720 177.303 176.600 -0.028 0.000 1.188 81 E CA -0.119 56.259 56.400 -0.037 0.000 0.940 81 E CB 0.489 30.168 29.700 -0.035 0.000 1.094 81 E HN 0.837 nan 8.360 nan 0.000 0.474 82 G N 0.367 109.153 108.800 -0.023 0.000 2.660 82 G HA2 -0.151 3.809 3.960 0.000 0.000 0.247 82 G HA3 -0.151 3.809 3.960 0.000 0.000 0.247 82 G C -1.188 173.707 174.900 -0.007 0.000 1.328 82 G CA -0.824 44.267 45.100 -0.015 0.000 0.884 82 G HN 0.393 nan 8.290 nan 0.000 0.531 83 E N -0.725 119.474 120.200 -0.002 0.000 2.183 83 E HA 0.544 4.895 4.350 0.000 0.000 0.271 83 E C -0.849 175.768 176.600 0.029 0.000 0.919 83 E CA -0.792 55.612 56.400 0.007 0.000 0.781 83 E CB 1.999 31.690 29.700 -0.015 0.000 1.140 83 E HN 0.521 nan 8.360 nan 0.000 0.402 84 F N 2.838 122.727 119.950 -0.101 0.000 2.424 84 F HA 0.304 4.831 4.527 0.000 0.000 0.356 84 F C -0.821 174.900 175.800 -0.131 0.000 1.110 84 F CA -0.523 57.401 58.000 -0.127 0.000 1.161 84 F CB 0.583 39.478 39.000 -0.174 0.000 1.115 84 F HN 0.082 nan 8.300 nan 0.000 0.507 85 V N 7.769 127.131 119.914 -0.921 0.000 2.623 85 V HA 0.340 4.461 4.120 0.000 0.000 0.304 85 V C -2.274 173.102 176.094 -1.196 0.000 1.054 85 V CA -2.034 59.691 62.300 -0.958 0.000 0.882 85 V CB 1.791 33.380 31.823 -0.390 0.000 1.002 85 V HN 0.636 nan 8.190 nan 0.000 0.424 86 P HA 0.112 nan 4.420 nan 0.000 0.264 86 P C 0.367 177.378 177.300 -0.483 0.000 1.183 86 P CA 0.807 63.293 63.100 -1.024 0.000 0.763 86 P CB 0.148 30.914 31.700 -1.556 0.000 0.807 87 H N -0.384 118.702 119.070 0.026 0.000 4.912 87 H HA -0.202 4.354 4.556 0.000 0.000 0.078 87 H C 1.445 176.794 175.328 0.034 0.000 0.572 87 H CA 1.923 58.010 56.048 0.065 0.000 1.083 87 H CB -2.367 27.498 29.762 0.171 0.000 0.482 87 H HN 0.359 nan 8.280 nan 0.000 0.736 88 V N -0.733 119.237 119.914 0.095 0.000 2.594 88 V HA -0.099 4.021 4.120 0.000 0.000 0.253 88 V C 1.650 177.765 176.094 0.034 0.000 1.069 88 V CA 2.563 64.897 62.300 0.056 0.000 1.082 88 V CB -0.081 31.748 31.823 0.010 0.000 0.680 88 V HN 0.368 nan 8.190 nan 0.000 0.469 89 D N -0.415 119.997 120.400 0.019 0.000 2.379 89 D HA 0.021 4.661 4.640 0.000 0.000 0.208 89 D C 1.336 177.662 176.300 0.044 0.000 1.065 89 D CA 0.529 54.541 54.000 0.020 0.000 0.848 89 D CB 0.211 41.011 40.800 -0.001 0.000 0.949 89 D HN 0.492 nan 8.370 nan 0.000 0.509 90 D N 1.575 122.018 120.400 0.072 0.000 2.178 90 D HA -0.110 4.530 4.640 0.000 0.000 0.202 90 D C 1.765 178.100 176.300 0.058 0.000 0.974 90 D CA 0.719 54.767 54.000 0.081 0.000 0.841 90 D CB 0.249 41.117 40.800 0.113 0.000 0.953 90 D HN 0.351 nan 8.370 nan 0.000 0.478 91 E N 0.745 120.979 120.200 0.058 0.000 2.038 91 E HA -0.164 4.186 4.350 0.000 0.000 0.195 91 E C 2.103 178.726 176.600 0.039 0.000 1.000 91 E CA 1.132 57.562 56.400 0.050 0.000 0.803 91 E CB 0.005 29.737 29.700 0.053 0.000 0.750 91 E HN 0.162 nan 8.360 nan 0.000 0.448 92 A N 1.160 124.000 122.820 0.034 0.000 1.929 92 A HA -0.169 4.151 4.320 0.000 0.000 0.216 92 A C 1.636 179.234 177.584 0.024 0.000 1.176 92 A CA 1.529 53.582 52.037 0.027 0.000 0.628 92 A CB -0.213 18.800 19.000 0.021 0.000 0.816 92 A HN 0.101 nan 8.150 nan 0.000 0.444 93 D N 0.087 120.501 120.400 0.023 0.000 2.183 93 D HA 0.033 4.673 4.640 0.000 0.000 0.203 93 D C 2.184 178.493 176.300 0.016 0.000 0.969 93 D CA 1.325 55.333 54.000 0.015 0.000 0.842 93 D CB -0.291 40.518 40.800 0.015 0.000 0.957 93 D HN 0.404 nan 8.370 nan 0.000 0.484 94 A N 0.776 123.610 122.820 0.024 0.000 1.873 94 A HA -0.192 4.129 4.320 0.000 0.000 0.215 94 A C 2.121 179.723 177.584 0.030 0.000 1.186 94 A CA 1.694 53.744 52.037 0.022 0.000 0.616 94 A CB -0.609 18.403 19.000 0.019 0.000 0.823 94 A HN 0.245 nan 8.150 nan 0.000 0.442 95 E N -0.121 120.098 120.200 0.032 0.000 2.058 95 E HA -0.269 4.081 4.350 0.000 0.000 0.194 95 E C 1.365 177.992 176.600 0.045 0.000 0.997 95 E CA 1.621 58.042 56.400 0.035 0.000 0.801 95 E CB -0.165 29.554 29.700 0.032 0.000 0.746 95 E HN 0.526 nan 8.360 nan 0.000 0.450 96 D N -0.334 120.092 120.400 0.042 0.000 2.117 96 D HA -0.133 4.508 4.640 0.000 0.000 0.197 96 D C 1.973 178.326 176.300 0.089 0.000 0.987 96 D CA 1.701 55.733 54.000 0.055 0.000 0.829 96 D CB -0.621 40.198 40.800 0.032 0.000 0.961 96 D HN 0.207 nan 8.370 nan 0.000 0.460 97 T N 1.080 115.674 114.554 0.068 0.000 2.746 97 T HA -0.078 4.272 4.350 0.000 0.000 0.267 97 T C 2.217 177.025 174.700 0.179 0.000 1.039 97 T CA 0.592 62.754 62.100 0.103 0.000 1.142 97 T CB -0.302 68.593 68.868 0.046 0.000 0.866 97 T HN 0.127 nan 8.240 nan 0.000 0.444 98 L N 0.909 122.197 121.223 0.109 0.000 2.046 98 L HA -0.115 4.226 4.340 0.000 0.000 0.208 98 L C 2.867 179.781 176.870 0.073 0.000 1.077 98 L CA 1.033 55.925 54.840 0.085 0.000 0.747 98 L CB -0.652 41.435 42.059 0.046 0.000 0.896 98 L HN 0.248 nan 8.230 nan 0.000 0.432 99 S N -0.962 114.787 115.700 0.081 0.000 2.356 99 S HA -0.244 4.227 4.470 0.000 0.000 0.223 99 S C 1.529 176.167 174.600 0.064 0.000 1.032 99 S CA 1.427 59.659 58.200 0.054 0.000 1.005 99 S CB -0.564 62.672 63.200 0.060 0.000 0.867 99 S HN 0.555 nan 8.310 nan 0.000 0.449 100 W N 2.214 123.487 121.300 -0.044 0.000 2.338 100 W HA -0.103 4.558 4.660 0.001 0.000 0.304 100 W C 1.724 178.178 176.519 -0.108 0.000 1.212 100 W CA 1.169 58.482 57.345 -0.053 0.000 1.264 100 W CB -0.385 29.067 29.460 -0.015 0.000 1.142 100 W HN 0.192 nan 8.180 nan 0.000 0.512 101 I N 0.173 120.788 120.570 0.075 0.000 2.202 101 I HA -0.335 3.835 4.170 0.000 0.000 0.242 101 I C 2.405 178.266 176.117 -0.426 0.000 1.091 101 I CA 1.300 62.468 61.300 -0.220 0.000 1.368 101 I CB -0.751 37.280 38.000 0.051 0.000 1.058 101 I HN -0.031 nan 8.210 nan 0.000 0.410 102 L N 0.304 121.390 121.223 -0.229 0.000 2.127 102 L HA -0.229 4.111 4.340 0.000 0.000 0.211 102 L C 2.177 178.868 176.870 -0.298 0.000 1.089 102 L CA 1.442 56.151 54.840 -0.219 0.000 0.757 102 L CB -0.516 41.474 42.059 -0.114 0.000 0.899 102 L HN 0.294 nan 8.230 nan 0.000 0.434 103 E N -0.862 119.124 120.200 -0.356 0.000 2.482 103 E HA -0.054 4.297 4.350 0.000 0.000 0.196 103 E C 0.329 176.627 176.600 -0.503 0.000 1.047 103 E CA -0.018 56.166 56.400 -0.362 0.000 0.869 103 E CB 0.208 29.729 29.700 -0.299 0.000 0.836 103 E HN 0.419 nan 8.360 nan 0.000 0.520 104 Q N -0.210 119.136 119.800 -0.757 0.000 2.299 104 Q HA 0.213 4.553 4.340 0.000 0.000 0.246 104 Q C 0.909 176.488 176.000 -0.701 0.000 0.935 104 Q CA -0.010 55.227 55.803 -0.943 0.000 0.887 104 Q CB 1.248 28.944 28.738 -1.736 0.000 1.223 104 Q HN 0.078 nan 8.270 nan 0.000 0.439 105 A N 3.090 125.630 122.820 -0.468 0.000 1.997 105 A HA -0.167 4.153 4.320 0.000 0.000 0.221 105 A C 1.315 178.824 177.584 -0.124 0.000 1.172 105 A CA 1.775 53.690 52.037 -0.204 0.000 0.645 105 A CB -0.642 18.338 19.000 -0.034 0.000 0.813 105 A HN 0.888 nan 8.150 nan 0.000 0.454 106 W N -2.692 118.564 121.300 -0.074 0.000 3.278 106 W HA 0.396 5.056 4.660 0.000 0.000 0.308 106 W C 0.392 176.889 176.519 -0.036 0.000 1.253 106 W CA -0.417 56.905 57.345 -0.038 0.000 1.759 106 W CB -1.306 28.148 29.460 -0.011 0.000 1.093 106 W HN 0.291 nan 8.180 nan 0.000 0.648 107 C N 5.488 124.610 119.300 -0.298 0.000 2.307 107 C HA 0.189 4.650 4.460 0.000 0.000 0.340 107 C C 1.514 176.428 174.990 -0.128 0.000 1.275 107 C CA -0.395 58.499 59.018 -0.206 0.000 1.811 107 C CB 0.368 27.839 27.740 -0.448 0.000 2.372 107 C HN 0.368 nan 8.230 nan 0.000 0.531 108 D N 2.546 122.917 120.400 -0.048 0.000 2.319 108 D HA 0.174 4.815 4.640 0.000 0.000 0.230 108 D C 1.398 177.667 176.300 -0.052 0.000 1.094 108 D CA 0.695 54.668 54.000 -0.045 0.000 0.856 108 D CB -0.303 40.482 40.800 -0.024 0.000 0.915 108 D HN 1.250 nan 8.370 nan 0.000 0.517 109 G N 0.057 108.816 108.800 -0.069 0.000 2.176 109 G HA2 -0.252 3.708 3.960 0.000 0.000 0.253 109 G HA3 -0.252 3.708 3.960 0.000 0.000 0.253 109 G C -0.184 174.698 174.900 -0.030 0.000 0.979 109 G CA -0.147 44.918 45.100 -0.058 0.000 0.641 109 G HN 0.448 nan 8.290 nan 0.000 0.530 110 N N 0.206 118.898 118.700 -0.014 0.000 2.417 110 N HA 0.554 5.295 4.740 0.000 0.000 0.274 110 N C -0.681 174.844 175.510 0.024 0.000 0.987 110 N CA -0.176 52.880 53.050 0.010 0.000 0.912 110 N CB 2.527 41.028 38.487 0.023 0.000 1.177 110 N HN 0.110 nan 8.380 nan 0.000 0.490 111 V N 0.541 120.466 119.914 0.018 0.000 2.656 111 V HA 0.767 4.887 4.120 0.000 0.000 0.307 111 V C 0.547 176.638 176.094 -0.005 0.000 1.051 111 V CA -0.762 61.547 62.300 0.015 0.000 0.893 111 V CB 1.924 33.757 31.823 0.017 0.000 0.999 111 V HN 0.750 nan 8.190 nan 0.000 0.426 112 G N 3.246 112.003 108.800 -0.073 0.000 2.714 112 G HA2 0.871 4.831 3.960 0.000 0.000 0.292 112 G HA3 0.871 4.831 3.960 0.000 0.000 0.292 112 G C -1.233 173.614 174.900 -0.089 0.000 1.308 112 G CA -0.814 44.217 45.100 -0.115 0.000 0.964 112 G HN 0.523 nan 8.290 nan 0.000 0.484 113 M N -0.220 119.403 119.600 0.039 0.000 2.550 113 M HA 0.640 5.120 4.480 0.000 0.000 0.292 113 M C -1.264 175.240 176.300 0.341 0.000 1.221 113 M CA -0.594 54.749 55.300 0.072 0.000 0.873 113 M CB 2.857 35.438 32.600 -0.032 0.000 1.727 113 M HN 0.670 nan 8.290 nan 0.000 0.459 114 F N -0.874 119.109 119.950 0.055 0.000 2.711 114 F HA 0.993 5.520 4.527 0.001 0.000 0.313 114 F C -0.553 175.245 175.800 -0.004 0.000 1.141 114 F CA -0.676 57.419 58.000 0.160 0.000 0.941 114 F CB 1.343 40.591 39.000 0.413 0.000 1.349 114 F HN 0.832 nan 8.300 nan 0.000 0.464 115 G N 0.119 108.956 108.800 0.061 0.000 2.326 115 G HA2 0.461 4.422 3.960 0.000 0.000 0.413 115 G HA3 0.461 4.422 3.960 0.000 0.000 0.413 115 G C -2.639 172.232 174.900 -0.048 0.000 1.444 115 G CA -0.282 44.714 45.100 -0.174 0.000 1.002 115 G HN 1.557 nan 8.290 nan 0.000 0.649 116 V N 0.487 120.369 119.914 -0.052 0.000 2.667 116 V HA 0.821 4.942 4.120 0.000 0.000 0.308 116 V C 1.316 177.386 176.094 -0.041 0.000 1.048 116 V CA 1.876 64.157 62.300 -0.031 0.000 0.928 116 V CB 1.135 32.951 31.823 -0.012 0.000 1.004 116 V HN 2.908 nan 8.190 nan 0.000 0.444 117 S N 4.216 119.865 115.700 -0.086 0.000 4.140 117 S HA -0.366 4.104 4.470 0.000 0.000 0.618 117 S C 1.013 175.580 174.600 -0.056 0.000 1.896 117 S CA 1.990 60.151 58.200 -0.065 0.000 4.240 117 S CB -1.775 61.584 63.200 0.266 0.000 0.208 117 S HN 1.342 nan 8.310 nan 0.000 0.487 118 Y N 1.984 122.320 120.300 0.060 0.000 2.274 118 Y HA 0.016 4.567 4.550 0.000 0.000 0.290 118 Y C 1.965 177.832 175.900 -0.055 0.000 1.145 118 Y CA 2.210 60.347 58.100 0.063 0.000 1.203 118 Y CB -0.292 38.266 38.460 0.164 0.000 0.984 118 Y HN 0.409 nan 8.280 nan 0.000 0.533 119 L N -0.859 120.394 121.223 0.049 0.000 2.465 119 L HA 0.012 4.352 4.340 0.000 0.000 0.224 119 L C 2.434 179.189 176.870 -0.191 0.000 1.145 119 L CA 1.479 56.214 54.840 -0.174 0.000 0.834 119 L CB -1.218 40.570 42.059 -0.451 0.000 0.944 119 L HN 0.272 nan 8.230 nan 0.000 0.451 120 G N -1.515 107.196 108.800 -0.148 0.000 2.490 120 G HA2 -0.011 3.949 3.960 0.000 0.000 0.211 120 G HA3 -0.011 3.949 3.960 0.000 0.000 0.211 120 G C 1.518 176.329 174.900 -0.148 0.000 1.159 120 G CA 0.493 45.495 45.100 -0.164 0.000 0.819 120 G HN 0.162 nan 8.290 nan 0.000 0.539 121 V N 2.299 122.134 119.914 -0.131 0.000 2.407 121 V HA -0.189 3.932 4.120 0.000 0.000 0.248 121 V C 3.322 179.386 176.094 -0.050 0.000 1.055 121 V CA 2.417 64.684 62.300 -0.055 0.000 1.049 121 V CB -1.005 30.699 31.823 -0.198 0.000 0.662 121 V HN 0.618 nan 8.190 nan 0.000 0.455 122 T N -1.740 112.737 114.554 -0.129 0.000 2.881 122 T HA -0.256 4.094 4.350 0.000 0.000 0.270 122 T C 1.706 176.366 174.700 -0.066 0.000 1.068 122 T CA 1.488 63.543 62.100 -0.076 0.000 1.131 122 T CB -0.331 68.508 68.868 -0.048 0.000 0.871 122 T HN 0.581 nan 8.240 nan 0.000 0.479 123 Q N -0.053 119.661 119.800 -0.143 0.000 2.083 123 Q HA -0.004 4.336 4.340 0.000 0.000 0.198 123 Q C 2.007 177.891 176.000 -0.194 0.000 0.969 123 Q CA 1.381 57.054 55.803 -0.216 0.000 0.838 123 Q CB -0.317 28.211 28.738 -0.349 0.000 0.900 123 Q HN 0.715 nan 8.270 nan 0.000 0.436 124 W N 1.338 122.629 121.300 -0.015 0.000 2.374 124 W HA -0.151 4.509 4.660 0.000 0.000 0.288 124 W C 2.265 178.782 176.519 -0.003 0.000 1.218 124 W CA 0.575 57.918 57.345 -0.003 0.000 1.245 124 W CB 0.062 29.524 29.460 0.002 0.000 1.126 124 W HN 0.214 nan 8.180 nan 0.000 0.545 125 Q N -0.076 119.837 119.800 0.189 0.000 2.119 125 Q HA -0.123 4.217 4.340 0.000 0.000 0.201 125 Q C 2.460 178.508 176.000 0.080 0.000 0.972 125 Q CA 1.537 57.410 55.803 0.117 0.000 0.847 125 Q CB -0.458 28.326 28.738 0.077 0.000 0.903 125 Q HN 0.303 nan 8.270 nan 0.000 0.433 126 A N 0.953 123.801 122.820 0.046 0.000 1.873 126 A HA -0.075 4.246 4.320 0.000 0.000 0.215 126 A C 2.263 179.871 177.584 0.041 0.000 1.186 126 A CA 1.460 53.513 52.037 0.027 0.000 0.616 126 A CB -0.758 18.238 19.000 -0.007 0.000 0.823 126 A HN 0.385 nan 8.150 nan 0.000 0.442 127 A N -0.013 122.840 122.820 0.054 0.000 2.019 127 A HA 0.025 4.345 4.320 0.000 0.000 0.219 127 A C 2.081 179.722 177.584 0.096 0.000 1.164 127 A CA 1.803 53.885 52.037 0.075 0.000 0.644 127 A CB -1.010 18.051 19.000 0.102 0.000 0.805 127 A HN 1.153 nan 8.150 nan 0.000 0.449 128 V N -1.564 118.415 119.914 0.108 0.000 3.461 128 V HA -0.020 4.100 4.120 0.000 0.000 0.267 128 V C 1.870 177.997 176.094 0.054 0.000 1.186 128 V CA 1.592 63.941 62.300 0.083 0.000 1.154 128 V CB -0.926 30.947 31.823 0.085 0.000 0.802 128 V HN 0.612 nan 8.190 nan 0.000 0.474 129 S N 0.307 116.036 115.700 0.049 0.000 2.607 129 S HA 0.248 4.718 4.470 0.000 0.000 0.224 129 S C 1.867 176.484 174.600 0.028 0.000 0.969 129 S CA 0.634 58.855 58.200 0.036 0.000 0.927 129 S CB -0.404 62.816 63.200 0.034 0.000 0.772 129 S HN 1.661 nan 8.310 nan 0.000 0.533 130 G N 0.945 109.763 108.800 0.029 0.000 2.200 130 G HA2 -0.285 3.676 3.960 0.000 0.000 0.267 130 G HA3 -0.285 3.676 3.960 0.000 0.000 0.267 130 G C 0.170 175.080 174.900 0.016 0.000 0.993 130 G CA 0.287 45.400 45.100 0.022 0.000 0.701 130 G HN 0.759 nan 8.290 nan 0.000 0.524 131 V N 0.998 120.923 119.914 0.017 0.000 2.486 131 V HA 0.241 4.361 4.120 0.000 0.000 0.290 131 V C 2.169 178.268 176.094 0.008 0.000 0.991 131 V CA 1.291 63.599 62.300 0.012 0.000 1.142 131 V CB 0.289 32.121 31.823 0.015 0.000 0.926 131 V HN 0.600 nan 8.190 nan 0.000 0.472 132 G N 4.741 113.543 108.800 0.003 0.000 2.469 132 G HA2 -0.198 3.762 3.960 0.000 0.000 0.220 132 G HA3 -0.198 3.762 3.960 0.000 0.000 0.220 132 G C 1.502 176.401 174.900 -0.001 0.000 1.136 132 G CA 0.817 45.918 45.100 0.001 0.000 0.759 132 G HN 0.903 nan 8.290 nan 0.000 0.562 133 G N -0.010 108.787 108.800 -0.005 0.000 2.471 133 G HA2 0.032 3.993 3.960 0.000 0.000 0.219 133 G HA3 0.032 3.993 3.960 0.000 0.000 0.219 133 G C 0.756 175.657 174.900 0.002 0.000 1.125 133 G CA 0.100 45.195 45.100 -0.007 0.000 0.775 133 G HN 0.432 nan 8.290 nan 0.000 0.548 134 L N 1.124 122.351 121.223 0.006 0.000 2.485 134 L HA 0.287 4.627 4.340 0.000 0.000 0.279 134 L C 1.014 177.892 176.870 0.013 0.000 1.124 134 L CA -0.050 54.796 54.840 0.011 0.000 0.888 134 L CB 0.582 42.648 42.059 0.011 0.000 1.217 134 L HN -0.132 nan 8.230 nan 0.000 0.464 135 K N 4.269 124.682 120.400 0.021 0.000 2.354 135 K HA 0.499 4.819 4.320 0.000 0.000 0.194 135 K C -0.017 176.580 176.600 -0.005 0.000 1.045 135 K CA 0.577 56.873 56.287 0.016 0.000 1.026 135 K CB 0.612 33.136 32.500 0.041 0.000 0.866 135 K HN 0.613 nan 8.250 nan 0.000 0.530 136 A N 1.277 124.130 122.820 0.055 0.000 2.594 136 A HA 0.614 4.934 4.320 0.000 0.000 0.296 136 A C -1.139 176.590 177.584 0.241 0.000 1.056 136 A CA -0.938 51.173 52.037 0.122 0.000 0.693 136 A CB 0.920 20.002 19.000 0.136 0.000 1.278 136 A HN 0.177 nan 8.150 nan 0.000 0.408 137 I N -1.922 118.784 120.570 0.226 0.000 3.002 137 I HA 0.956 5.127 4.170 0.000 0.000 0.310 137 I C -0.059 176.116 176.117 0.097 0.000 1.087 137 I CA -1.096 60.271 61.300 0.111 0.000 1.017 137 I CB 2.613 40.493 38.000 -0.199 0.000 1.226 137 I HN 1.100 nan 8.210 nan 0.000 0.443 138 A N 3.572 126.423 122.820 0.052 0.000 3.370 138 A HA 0.578 4.899 4.320 0.000 0.000 0.295 138 A C -2.845 174.729 177.584 -0.017 0.000 1.030 138 A CA -1.167 50.844 52.037 -0.043 0.000 0.883 138 A CB -0.065 18.979 19.000 0.073 0.000 1.191 138 A HN 0.539 nan 8.150 nan 0.000 0.507 139 P HA 0.194 nan 4.420 nan 0.000 0.281 139 P C -0.129 177.156 177.300 -0.026 0.000 1.286 139 P CA 0.423 63.421 63.100 -0.171 0.000 0.772 139 P CB 1.466 32.916 31.700 -0.417 0.000 0.862 140 S N 5.133 120.834 115.700 0.002 0.000 2.462 140 S HA 0.464 4.934 4.470 0.000 0.000 0.294 140 S C 0.647 175.222 174.600 -0.041 0.000 1.144 140 S CA -0.451 57.764 58.200 0.025 0.000 1.088 140 S CB -0.227 63.016 63.200 0.072 0.000 1.009 140 S HN 0.385 nan 8.310 nan 0.000 0.484 141 M N 1.626 121.217 119.600 -0.014 0.000 2.303 141 M HA -0.215 4.266 4.480 0.000 0.000 0.189 141 M C -0.008 176.079 176.300 -0.355 0.000 0.688 141 M CA 0.908 56.188 55.300 -0.033 0.000 0.479 141 M CB -3.174 29.445 32.600 0.032 0.000 1.094 141 M HN 0.660 nan 8.290 nan 0.000 0.907 142 A N -0.124 122.543 122.820 -0.255 0.000 2.475 142 A HA 0.951 5.271 4.320 0.000 0.000 0.281 142 A C -0.134 177.472 177.584 0.037 0.000 1.263 142 A CA 0.096 51.894 52.037 -0.397 0.000 0.776 142 A CB 2.226 21.170 19.000 -0.093 0.000 1.347 142 A HN 0.635 nan 8.150 nan 0.000 0.443 143 S N -2.316 113.472 115.700 0.146 0.000 2.556 143 S HA 0.606 5.076 4.470 0.000 0.000 0.271 143 S C -0.103 174.537 174.600 0.065 0.000 1.135 143 S CA 0.307 58.618 58.200 0.185 0.000 0.858 143 S CB 1.718 65.092 63.200 0.291 0.000 1.114 143 S HN 1.986 nan 8.310 nan 0.000 0.468 144 A N 1.854 124.603 122.820 -0.119 0.000 2.430 144 A HA 0.397 4.718 4.320 0.000 0.000 0.243 144 A C 0.068 177.653 177.584 0.001 0.000 1.254 144 A CA -0.001 51.930 52.037 -0.176 0.000 0.914 144 A CB -0.013 18.691 19.000 -0.492 0.000 0.998 144 A HN 0.690 nan 8.150 nan 0.000 0.515 145 D N 0.416 120.817 120.400 0.002 0.000 2.386 145 D HA 0.239 4.879 4.640 0.000 0.000 0.247 145 D C 0.382 176.686 176.300 0.008 0.000 1.336 145 D CA -0.381 53.631 54.000 0.020 0.000 0.976 145 D CB 1.017 41.779 40.800 -0.064 0.000 1.257 145 D HN -0.061 nan 8.370 nan 0.000 0.570 146 L N 3.293 124.568 121.223 0.087 0.000 2.217 146 L HA -0.101 4.239 4.340 0.000 0.000 0.211 146 L C 1.904 178.743 176.870 -0.052 0.000 1.107 146 L CA 1.046 55.935 54.840 0.082 0.000 0.783 146 L CB -1.340 40.911 42.059 0.320 0.000 0.919 146 L HN 0.564 nan 8.230 nan 0.000 0.442 147 Y N 1.446 121.565 120.300 -0.302 0.000 2.114 147 Y HA -0.232 4.318 4.550 0.000 0.000 0.284 147 Y C 2.834 178.509 175.900 -0.375 0.000 1.143 147 Y CA 1.725 59.396 58.100 -0.716 0.000 1.135 147 Y CB -0.031 37.933 38.460 -0.826 0.000 0.980 147 Y HN 0.025 nan 8.280 nan 0.000 0.499 148 R N 0.148 120.583 120.500 -0.108 0.000 2.148 148 R HA 0.177 4.517 4.340 0.000 0.000 0.227 148 R C -0.071 176.085 176.300 -0.239 0.000 1.103 148 R CA 0.740 56.751 56.100 -0.148 0.000 0.983 148 R CB -0.048 30.183 30.300 -0.115 0.000 0.874 148 R HN 0.257 nan 8.270 nan 0.000 0.451 149 A N 0.260 122.908 122.820 -0.288 0.000 2.513 149 A HA 0.367 4.688 4.320 0.000 0.000 0.296 149 A C -2.486 174.741 177.584 -0.595 0.000 1.052 149 A CA -1.194 50.553 52.037 -0.482 0.000 0.714 149 A CB 1.633 20.383 19.000 -0.417 0.000 1.279 149 A HN -0.115 nan 8.150 nan 0.000 0.397 150 P HA 0.148 nan 4.420 nan 0.000 0.275 150 P C 0.454 177.307 177.300 -0.745 0.000 1.310 150 P CA 0.243 62.655 63.100 -1.147 0.000 0.904 150 P CB -0.036 30.770 31.700 -1.490 0.000 1.381 151 W N -1.262 119.896 121.300 -0.237 0.000 2.481 151 W HA 0.031 4.692 4.660 0.001 0.000 0.293 151 W C 1.527 177.736 176.519 -0.518 0.000 1.201 151 W CA 0.176 57.378 57.345 -0.238 0.000 1.328 151 W CB -0.596 28.869 29.460 0.008 0.000 1.112 151 W HN -0.106 nan 8.180 nan 0.000 0.546 152 Y N -0.817 119.182 120.300 -0.502 0.000 2.603 152 Y HA 0.678 5.228 4.550 0.000 0.000 0.165 152 Y C 1.019 176.657 175.900 -0.437 0.000 1.186 152 Y CA 0.292 58.007 58.100 -0.641 0.000 1.600 152 Y CB 0.032 37.580 38.460 -1.519 0.000 1.092 152 Y HN -0.221 nan 8.280 nan 0.000 0.430 153 G N -1.177 107.434 108.800 -0.315 0.000 2.316 153 G HA2 0.192 4.152 3.960 0.000 0.000 0.296 153 G HA3 0.192 4.152 3.960 0.000 0.000 0.296 153 G C -2.647 172.205 174.900 -0.080 0.000 1.399 153 G CA -0.583 44.430 45.100 -0.145 0.000 0.833 153 G HN 0.075 nan 8.290 nan 0.000 0.565 154 P HA 0.027 nan 4.420 nan 0.000 0.225 154 P C 1.544 178.820 177.300 -0.040 0.000 1.148 154 P CA 1.597 64.673 63.100 -0.040 0.000 0.779 154 P CB 0.103 31.774 31.700 -0.047 0.000 0.780 155 G N -0.762 107.995 108.800 -0.071 0.000 2.880 155 G HA2 0.244 4.204 3.960 0.000 0.000 0.209 155 G HA3 0.244 4.204 3.960 0.000 0.000 0.209 155 G C 1.095 175.976 174.900 -0.032 0.000 1.157 155 G CA 0.412 45.469 45.100 -0.072 0.000 0.779 155 G HN 0.428 nan 8.290 nan 0.000 0.539 156 G N -1.064 107.695 108.800 -0.068 0.000 2.160 156 G HA2 0.180 4.140 3.960 0.000 0.000 0.244 156 G HA3 0.180 4.140 3.960 0.000 0.000 0.244 156 G C 0.260 175.205 174.900 0.074 0.000 1.022 156 G CA 0.251 45.257 45.100 -0.157 0.000 0.741 156 G HN 1.346 nan 8.290 nan 0.000 0.508 157 A N -0.659 122.187 122.820 0.044 0.000 2.340 157 A HA 0.872 5.192 4.320 0.000 0.000 0.331 157 A C 0.080 177.712 177.584 0.081 0.000 1.140 157 A CA -0.515 51.583 52.037 0.100 0.000 0.801 157 A CB 1.456 20.422 19.000 -0.058 0.000 1.234 157 A HN 1.601 nan 8.150 nan 0.000 0.469 158 L N 1.747 122.947 121.223 -0.039 0.000 2.367 158 L HA 0.362 4.703 4.340 0.000 0.000 0.275 158 L C 0.309 177.074 176.870 -0.175 0.000 1.129 158 L CA 0.612 55.153 54.840 -0.499 0.000 0.839 158 L CB 1.067 42.890 42.059 -0.393 0.000 1.133 158 L HN 0.471 nan 8.230 nan 0.000 0.453 159 S N 4.596 120.149 115.700 -0.245 0.000 3.919 159 S HA 0.054 4.525 4.470 0.000 0.000 0.245 159 S C 1.210 175.758 174.600 -0.085 0.000 1.344 159 S CA -0.058 58.054 58.200 -0.148 0.000 0.896 159 S CB 0.385 63.484 63.200 -0.170 0.000 1.557 159 S HN 0.678 nan 8.310 nan 0.000 0.468 160 V N 3.051 122.913 119.914 -0.087 0.000 2.427 160 V HA -0.220 3.900 4.120 0.000 0.000 0.248 160 V C 2.346 178.418 176.094 -0.036 0.000 1.051 160 V CA 2.446 64.715 62.300 -0.050 0.000 1.048 160 V CB -0.281 31.532 31.823 -0.017 0.000 0.666 160 V HN 0.836 nan 8.190 nan 0.000 0.456 161 E N 1.202 121.349 120.200 -0.087 0.000 2.106 161 E HA -0.083 4.267 4.350 0.000 0.000 0.192 161 E C 2.050 178.741 176.600 0.151 0.000 0.984 161 E CA 1.791 58.178 56.400 -0.021 0.000 0.806 161 E CB -0.948 28.710 29.700 -0.069 0.000 0.750 161 E HN 0.530 nan 8.360 nan 0.000 0.458 162 A N 1.072 124.001 122.820 0.182 0.000 1.877 162 A HA -0.085 4.235 4.320 0.000 0.000 0.216 162 A C 2.252 180.125 177.584 0.481 0.000 1.186 162 A CA 1.529 53.797 52.037 0.384 0.000 0.620 162 A CB -0.864 18.246 19.000 0.183 0.000 0.822 162 A HN 0.335 nan 8.150 nan 0.000 0.443 163 L N -0.089 121.372 121.223 0.397 0.000 1.994 163 L HA -0.124 4.217 4.340 0.000 0.000 0.208 163 L C 2.329 179.315 176.870 0.193 0.000 1.071 163 L CA 1.834 56.874 54.840 0.334 0.000 0.745 163 L CB -0.471 41.654 42.059 0.111 0.000 0.892 163 L HN 0.414 nan 8.230 nan 0.000 0.431 164 L N -0.972 120.301 121.223 0.083 0.000 2.056 164 L HA -0.070 4.270 4.340 0.000 0.000 0.207 164 L C 2.551 179.380 176.870 -0.069 0.000 1.078 164 L CA 1.144 55.992 54.840 0.014 0.000 0.749 164 L CB -1.534 40.525 42.059 -0.000 0.000 0.901 164 L HN 0.464 nan 8.230 nan 0.000 0.433 165 G N -0.569 108.135 108.800 -0.160 0.000 2.433 165 G HA2 -0.314 3.647 3.960 0.000 0.000 0.216 165 G HA3 -0.314 3.647 3.960 0.000 0.000 0.216 165 G C 1.266 175.646 174.900 -0.866 0.000 1.186 165 G CA 0.542 45.318 45.100 -0.540 0.000 0.779 165 G HN 0.419 nan 8.290 nan 0.000 0.543 166 W N 1.794 122.533 121.300 -0.935 0.000 2.355 166 W HA -0.053 4.607 4.660 0.001 0.000 0.309 166 W C 2.925 179.397 176.519 -0.078 0.000 1.206 166 W CA 1.764 58.869 57.345 -0.399 0.000 1.284 166 W CB -0.403 29.220 29.460 0.271 0.000 1.145 166 W HN 0.195 nan 8.180 nan 0.000 0.502 167 S N 0.352 116.066 115.700 0.024 0.000 2.370 167 S HA -0.235 4.235 4.470 0.000 0.000 0.226 167 S C 1.993 176.481 174.600 -0.186 0.000 1.033 167 S CA 1.649 59.798 58.200 -0.085 0.000 1.011 167 S CB -1.032 62.214 63.200 0.077 0.000 0.852 167 S HN 0.387 nan 8.310 nan 0.000 0.457 168 A N 0.945 123.663 122.820 -0.170 0.000 1.933 168 A HA -0.038 4.282 4.320 0.000 0.000 0.218 168 A C 2.125 179.585 177.584 -0.207 0.000 1.175 168 A CA 1.295 53.230 52.037 -0.169 0.000 0.628 168 A CB -0.608 18.304 19.000 -0.146 0.000 0.814 168 A HN 0.431 nan 8.150 nan 0.000 0.444 169 L N -0.418 120.653 121.223 -0.253 0.000 2.056 169 L HA -0.100 4.240 4.340 0.000 0.000 0.207 169 L C 2.147 178.873 176.870 -0.239 0.000 1.078 169 L CA 1.430 56.151 54.840 -0.199 0.000 0.749 169 L CB -0.209 41.775 42.059 -0.125 0.000 0.901 169 L HN 0.305 nan 8.230 nan 0.000 0.433 170 I N -0.238 120.068 120.570 -0.439 0.000 2.202 170 I HA -0.157 4.013 4.170 0.000 0.000 0.242 170 I C 2.592 178.530 176.117 -0.297 0.000 1.091 170 I CA 1.409 62.426 61.300 -0.472 0.000 1.368 170 I CB -2.198 35.343 38.000 -0.764 0.000 1.058 170 I HN 0.380 nan 8.210 nan 0.000 0.410 171 G N 0.783 109.446 108.800 -0.229 0.000 2.476 171 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 171 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 171 G C 1.935 176.784 174.900 -0.086 0.000 1.164 171 G CA 0.709 45.728 45.100 -0.135 0.000 0.768 171 G HN 0.308 nan 8.290 nan 0.000 0.560 172 R N -0.328 120.117 120.500 -0.092 0.000 2.120 172 R HA -0.006 4.334 4.340 0.000 0.000 0.234 172 R C 2.828 179.193 176.300 0.108 0.000 1.123 172 R CA 1.335 57.442 56.100 0.011 0.000 0.975 172 R CB -0.177 30.037 30.300 -0.145 0.000 0.866 172 R HN 0.469 nan 8.270 nan 0.000 0.446 173 Q N 0.160 119.949 119.800 -0.018 0.000 2.049 173 Q HA -0.068 4.272 4.340 0.000 0.000 0.198 173 Q C 2.146 178.008 176.000 -0.231 0.000 0.971 173 Q CA 1.018 56.785 55.803 -0.059 0.000 0.833 173 Q CB 0.029 28.720 28.738 -0.078 0.000 0.896 173 Q HN 0.320 nan 8.270 nan 0.000 0.434 174 L N 0.390 121.463 121.223 -0.250 0.000 2.129 174 L HA -0.248 4.093 4.340 0.000 0.000 0.212 174 L C 2.166 178.939 176.870 -0.161 0.000 1.087 174 L CA 1.059 55.748 54.840 -0.251 0.000 0.757 174 L CB -0.362 41.587 42.059 -0.183 0.000 0.896 174 L HN 0.274 nan 8.230 nan 0.000 0.434 175 I N -1.044 119.487 120.570 -0.065 0.000 2.188 175 I HA -0.210 3.961 4.170 0.000 0.000 0.237 175 I C 2.440 178.522 176.117 -0.058 0.000 1.073 175 I CA 1.399 62.687 61.300 -0.019 0.000 1.359 175 I CB -0.579 37.484 38.000 0.104 0.000 1.083 175 I HN 0.146 nan 8.210 nan 0.000 0.412 176 T N 0.196 114.737 114.554 -0.021 0.000 2.802 176 T HA -0.180 4.170 4.350 0.000 0.000 0.269 176 T C 1.608 176.280 174.700 -0.047 0.000 1.062 176 T CA 1.759 63.831 62.100 -0.048 0.000 1.133 176 T CB -0.437 68.466 68.868 0.058 0.000 0.852 176 T HN 0.484 nan 8.240 nan 0.000 0.485 177 S N 0.538 116.164 115.700 -0.123 0.000 2.614 177 S HA 0.218 4.688 4.470 0.000 0.000 0.230 177 S C 0.415 174.926 174.600 -0.149 0.000 0.952 177 S CA -0.772 57.328 58.200 -0.167 0.000 0.949 177 S CB -0.110 62.776 63.200 -0.524 0.000 0.786 177 S HN 0.327 nan 8.310 nan 0.000 0.478 178 R N 2.046 122.479 120.500 -0.112 0.000 2.296 178 R HA 0.229 4.569 4.340 0.000 0.000 0.323 178 R C 1.351 177.620 176.300 -0.053 0.000 1.067 178 R CA 0.398 56.450 56.100 -0.080 0.000 0.946 178 R CB 0.803 31.061 30.300 -0.070 0.000 0.991 178 R HN 0.565 nan 8.270 nan 0.000 0.448 179 S N 1.764 117.442 115.700 -0.037 0.000 2.356 179 S HA -0.098 4.372 4.470 0.000 0.000 0.223 179 S C 0.485 175.070 174.600 -0.024 0.000 1.032 179 S CA 0.822 59.010 58.200 -0.020 0.000 1.005 179 S CB 0.125 63.319 63.200 -0.009 0.000 0.867 179 S HN 0.516 nan 8.310 nan 0.000 0.449 180 D N 1.987 122.370 120.400 -0.028 0.000 2.256 180 D HA 0.623 5.263 4.640 0.000 0.000 0.240 180 D C -0.767 175.512 176.300 -0.035 0.000 1.062 180 D CA -0.113 53.870 54.000 -0.028 0.000 0.832 180 D CB 1.746 42.533 40.800 -0.022 0.000 1.135 180 D HN 0.413 nan 8.370 nan 0.000 0.484 181 A N 3.556 126.353 122.820 -0.038 0.000 2.320 181 A HA 0.324 4.645 4.320 0.000 0.000 0.287 181 A C 0.647 178.212 177.584 -0.033 0.000 1.181 181 A CA -0.553 51.458 52.037 -0.043 0.000 0.831 181 A CB 0.503 19.468 19.000 -0.057 0.000 1.102 181 A HN 0.458 nan 8.150 nan 0.000 0.513 182 R N 2.685 123.167 120.500 -0.029 0.000 2.811 182 R HA 0.095 4.435 4.340 0.000 0.000 0.265 182 R C -1.630 174.660 176.300 -0.017 0.000 1.026 182 R CA -0.996 55.092 56.100 -0.020 0.000 1.142 182 R CB 0.038 30.328 30.300 -0.017 0.000 1.027 182 R HN 0.476 nan 8.270 nan 0.000 0.465 183 P HA -0.210 nan 4.420 nan 0.000 0.216 183 P C 0.873 178.172 177.300 -0.002 0.000 1.153 183 P CA 1.245 64.340 63.100 -0.008 0.000 0.848 183 P CB 0.078 31.775 31.700 -0.005 0.000 0.787 184 E N -0.212 119.989 120.200 0.001 0.000 2.347 184 E HA -0.175 4.176 4.350 0.000 0.000 0.196 184 E C 0.982 177.594 176.600 0.020 0.000 1.008 184 E CA 0.966 57.372 56.400 0.010 0.000 0.852 184 E CB -1.062 28.643 29.700 0.009 0.000 0.783 184 E HN 0.174 nan 8.360 nan 0.000 0.505 185 D N 2.302 122.709 120.400 0.011 0.000 2.126 185 D HA -0.176 4.464 4.640 0.000 0.000 0.190 185 D C 1.981 178.309 176.300 0.047 0.000 1.001 185 D CA 2.518 56.529 54.000 0.019 0.000 0.841 185 D CB -0.455 40.331 40.800 -0.022 0.000 0.949 185 D HN 0.383 nan 8.370 nan 0.000 0.446 186 A N 0.488 123.318 122.820 0.017 0.000 1.908 186 A HA -0.049 4.272 4.320 0.000 0.000 0.218 186 A C 2.252 179.897 177.584 0.100 0.000 1.181 186 A CA 2.488 54.544 52.037 0.032 0.000 0.627 186 A CB -0.693 18.308 19.000 0.002 0.000 0.818 186 A HN 0.267 nan 8.150 nan 0.000 0.445 187 A N -0.537 122.326 122.820 0.072 0.000 1.935 187 A HA -0.030 4.290 4.320 0.000 0.000 0.214 187 A C 1.748 179.378 177.584 0.077 0.000 1.178 187 A CA 1.515 53.593 52.037 0.068 0.000 0.640 187 A CB -0.417 18.607 19.000 0.040 0.000 0.825 187 A HN 0.403 nan 8.150 nan 0.000 0.447 188 D N -0.742 119.706 120.400 0.079 0.000 2.123 188 D HA -0.149 4.491 4.640 0.000 0.000 0.196 188 D C 1.573 177.930 176.300 0.094 0.000 0.992 188 D CA 1.105 55.146 54.000 0.069 0.000 0.833 188 D CB -0.431 40.405 40.800 0.060 0.000 0.954 188 D HN 0.469 nan 8.370 nan 0.000 0.455 189 F N 1.025 120.966 119.950 -0.015 0.000 2.095 189 F HA -0.250 4.277 4.527 0.000 0.000 0.298 189 F C 2.303 178.100 175.800 -0.006 0.000 1.104 189 F CA 1.084 59.076 58.000 -0.014 0.000 1.232 189 F CB -0.070 38.923 39.000 -0.011 0.000 0.987 189 F HN -0.199 nan 8.300 nan 0.000 0.475 190 V N 0.079 120.077 119.914 0.141 0.000 2.407 190 V HA -0.339 3.781 4.120 0.000 0.000 0.248 190 V C 2.193 178.274 176.094 -0.022 0.000 1.055 190 V CA 2.215 64.544 62.300 0.048 0.000 1.049 190 V CB -0.729 31.144 31.823 0.084 0.000 0.662 190 V HN 0.417 nan 8.190 nan 0.000 0.455 191 Q N -0.610 119.184 119.800 -0.011 0.000 2.079 191 Q HA -0.123 4.217 4.340 0.000 0.000 0.200 191 Q C 2.291 178.257 176.000 -0.057 0.000 0.974 191 Q CA 1.415 57.205 55.803 -0.022 0.000 0.840 191 Q CB -0.194 28.541 28.738 -0.006 0.000 0.898 191 Q HN 0.553 nan 8.270 nan 0.000 0.430 192 L N 0.028 121.191 121.223 -0.100 0.000 2.131 192 L HA -0.162 4.179 4.340 0.000 0.000 0.210 192 L C 2.471 179.240 176.870 -0.169 0.000 1.092 192 L CA 0.851 55.606 54.840 -0.141 0.000 0.759 192 L CB -0.565 41.379 42.059 -0.191 0.000 0.903 192 L HN 0.202 nan 8.230 nan 0.000 0.435 193 A N 0.200 122.891 122.820 -0.215 0.000 1.902 193 A HA -0.160 4.161 4.320 0.000 0.000 0.217 193 A C 2.564 180.102 177.584 -0.078 0.000 1.181 193 A CA 1.686 53.620 52.037 -0.170 0.000 0.623 193 A CB -0.675 18.218 19.000 -0.177 0.000 0.818 193 A HN 0.384 nan 8.150 nan 0.000 0.443 194 A N -0.010 122.776 122.820 -0.055 0.000 1.933 194 A HA -0.091 4.230 4.320 0.000 0.000 0.218 194 A C 2.109 179.686 177.584 -0.011 0.000 1.175 194 A CA 1.506 53.531 52.037 -0.020 0.000 0.628 194 A CB -0.614 18.380 19.000 -0.010 0.000 0.814 194 A HN 0.512 nan 8.150 nan 0.000 0.444 195 I N -0.500 120.055 120.570 -0.025 0.000 2.127 195 I HA -0.282 3.889 4.170 0.000 0.000 0.241 195 I C 2.346 178.464 176.117 0.001 0.000 1.075 195 I CA 1.338 62.629 61.300 -0.014 0.000 1.334 195 I CB -0.382 37.598 38.000 -0.033 0.000 1.040 195 I HN 0.278 nan 8.210 nan 0.000 0.405 196 L N 0.497 121.710 121.223 -0.016 0.000 2.191 196 L HA -0.195 4.145 4.340 0.000 0.000 0.212 196 L C 1.909 178.807 176.870 0.047 0.000 1.103 196 L CA 1.053 55.905 54.840 0.019 0.000 0.769 196 L CB -0.583 41.474 42.059 -0.003 0.000 0.908 196 L HN 0.319 nan 8.230 nan 0.000 0.438 197 N N -0.870 117.846 118.700 0.026 0.000 2.463 197 N HA -0.068 4.672 4.740 0.000 0.000 0.181 197 N C -0.012 175.531 175.510 0.055 0.000 1.078 197 N CA 0.729 53.800 53.050 0.035 0.000 0.902 197 N CB 0.117 38.616 38.487 0.019 0.000 0.970 197 N HN 0.182 nan 8.380 nan 0.000 0.451 198 D N -0.502 119.935 120.400 0.063 0.000 2.823 198 D HA 0.136 4.776 4.640 0.000 0.000 0.255 198 D C 0.733 177.077 176.300 0.074 0.000 1.257 198 D CA -0.163 53.886 54.000 0.082 0.000 0.803 198 D CB 0.095 40.931 40.800 0.060 0.000 1.384 198 D HN -0.312 nan 8.370 nan 0.000 0.541 199 V N 1.213 121.192 119.914 0.108 0.000 2.358 199 V HA -0.152 3.968 4.120 0.000 0.000 0.246 199 V C 2.602 178.652 176.094 -0.074 0.000 1.047 199 V CA 2.138 64.466 62.300 0.047 0.000 1.035 199 V CB -0.617 31.276 31.823 0.117 0.000 0.658 199 V HN 0.537 nan 8.190 nan 0.000 0.452 200 A N 0.683 123.400 122.820 -0.171 0.000 1.908 200 A HA -0.122 4.199 4.320 0.000 0.000 0.218 200 A C 2.440 180.036 177.584 0.020 0.000 1.181 200 A CA 2.049 53.912 52.037 -0.290 0.000 0.627 200 A CB -1.301 17.481 19.000 -0.364 0.000 0.818 200 A HN 0.526 nan 8.150 nan 0.000 0.445 201 G N -0.493 108.339 108.800 0.053 0.000 2.446 201 G HA2 -0.044 3.916 3.960 0.000 0.000 0.217 201 G HA3 -0.044 3.916 3.960 0.000 0.000 0.217 201 G C 1.765 176.708 174.900 0.072 0.000 1.168 201 G CA 1.613 46.759 45.100 0.077 0.000 0.771 201 G HN 0.849 nan 8.290 nan 0.000 0.551 202 A N 1.058 123.905 122.820 0.045 0.000 1.933 202 A HA 0.301 4.622 4.320 0.000 0.000 0.218 202 A C 2.768 180.387 177.584 0.060 0.000 1.175 202 A CA 2.164 54.224 52.037 0.039 0.000 0.628 202 A CB -0.692 18.318 19.000 0.017 0.000 0.814 202 A HN 0.841 nan 8.150 nan 0.000 0.444 203 A N -0.724 122.136 122.820 0.066 0.000 2.067 203 A HA 0.020 4.340 4.320 0.000 0.000 0.219 203 A C 2.270 180.036 177.584 0.303 0.000 1.158 203 A CA 1.696 53.814 52.037 0.134 0.000 0.661 203 A CB -0.576 18.408 19.000 -0.026 0.000 0.801 203 A HN 0.421 nan 8.150 nan 0.000 0.452 204 S N -0.470 115.403 115.700 0.289 0.000 2.453 204 S HA 0.012 4.483 4.470 0.000 0.000 0.231 204 S C 0.968 175.612 174.600 0.074 0.000 1.005 204 S CA 0.611 58.922 58.200 0.184 0.000 0.949 204 S CB -0.671 62.613 63.200 0.140 0.000 0.774 204 S HN 0.743 nan 8.310 nan 0.000 0.510 205 V N 2.790 122.747 119.914 0.072 0.000 2.521 205 V HA 0.488 4.608 4.120 0.000 0.000 0.286 205 V C 0.043 176.158 176.094 0.034 0.000 1.034 205 V CA -0.507 61.816 62.300 0.040 0.000 1.045 205 V CB 0.220 32.063 31.823 0.034 0.000 0.974 205 V HN 0.299 nan 8.190 nan 0.000 0.480 206 T N 3.835 118.399 114.554 0.017 0.000 2.855 206 T HA 0.737 5.088 4.350 0.000 0.000 0.281 206 T C -2.798 171.908 174.700 0.009 0.000 1.007 206 T CA -2.081 60.027 62.100 0.013 0.000 1.009 206 T CB 1.552 70.419 68.868 -0.001 0.000 0.983 206 T HN 0.667 nan 8.240 nan 0.000 0.455 207 P HA 0.226 nan 4.420 nan 0.000 0.276 207 P C 0.858 178.172 177.300 0.023 0.000 1.230 207 P CA -0.792 62.317 63.100 0.015 0.000 0.776 207 P CB 0.559 32.266 31.700 0.012 0.000 0.888 208 L N 3.432 124.675 121.223 0.033 0.000 2.081 208 L HA -0.219 4.121 4.340 0.000 0.000 0.212 208 L C 2.092 178.978 176.870 0.027 0.000 1.080 208 L CA 2.164 57.028 54.840 0.040 0.000 0.754 208 L CB -1.803 40.290 42.059 0.056 0.000 0.893 208 L HN 0.485 nan 8.230 nan 0.000 0.433 209 A N -1.638 121.195 122.820 0.022 0.000 2.121 209 A HA -0.111 4.209 4.320 0.000 0.000 0.218 209 A C 1.213 178.800 177.584 0.006 0.000 1.154 209 A CA 0.316 52.360 52.037 0.011 0.000 0.679 209 A CB -0.529 18.477 19.000 0.010 0.000 0.795 209 A HN 0.493 nan 8.150 nan 0.000 0.458 210 E N 1.442 121.648 120.200 0.009 0.000 2.003 210 E HA 0.146 4.496 4.350 0.000 0.000 0.279 210 E C -0.745 175.859 176.600 0.008 0.000 1.132 210 E CA -0.069 56.335 56.400 0.007 0.000 0.888 210 E CB 0.264 29.968 29.700 0.007 0.000 1.056 210 E HN 0.298 nan 8.360 nan 0.000 0.399 211 Q N 3.862 123.665 119.800 0.005 0.000 2.798 211 Q HA 0.170 4.510 4.340 0.000 0.000 0.250 211 Q C -1.924 174.079 176.000 0.005 0.000 1.006 211 Q CA -1.765 54.041 55.803 0.005 0.000 0.759 211 Q CB 1.270 30.011 28.738 0.004 0.000 1.201 211 Q HN 0.425 nan 8.270 nan 0.000 0.486 212 P HA -0.185 nan 4.420 nan 0.000 0.215 212 P C 1.302 178.605 177.300 0.005 0.000 1.157 212 P CA 0.791 63.894 63.100 0.005 0.000 0.868 212 P CB 0.517 32.220 31.700 0.005 0.000 0.788 213 L N -0.873 120.353 121.223 0.004 0.000 2.034 213 L HA -0.010 4.331 4.340 0.000 0.000 0.203 213 L C 2.630 179.501 176.870 0.001 0.000 1.074 213 L CA 1.534 56.376 54.840 0.002 0.000 0.748 213 L CB -1.413 40.645 42.059 -0.002 0.000 0.905 213 L HN -0.223 nan 8.230 nan 0.000 0.439 214 L N -0.458 120.766 121.223 0.001 0.000 2.046 214 L HA -0.089 4.251 4.340 0.000 0.000 0.208 214 L C 2.501 179.384 176.870 0.021 0.000 1.077 214 L CA 1.246 56.090 54.840 0.006 0.000 0.747 214 L CB -1.352 40.710 42.059 0.006 0.000 0.896 214 L HN 0.481 nan 8.230 nan 0.000 0.432 215 G N -0.318 108.492 108.800 0.017 0.000 2.432 215 G HA2 -0.268 3.692 3.960 0.000 0.000 0.219 215 G HA3 -0.268 3.692 3.960 0.000 0.000 0.219 215 G C 1.750 176.664 174.900 0.022 0.000 1.135 215 G CA 0.704 45.816 45.100 0.020 0.000 0.767 215 G HN 0.292 nan 8.290 nan 0.000 0.550 216 R N -0.208 120.301 120.500 0.016 0.000 2.055 216 R HA 0.179 4.519 4.340 0.000 0.000 0.226 216 R C 2.463 178.772 176.300 0.015 0.000 1.135 216 R CA 0.657 56.765 56.100 0.013 0.000 0.959 216 R CB -0.391 29.913 30.300 0.008 0.000 0.854 216 R HN 0.341 nan 8.270 nan 0.000 0.431 217 L N 0.502 121.732 121.223 0.012 0.000 1.994 217 L HA -0.056 4.284 4.340 0.000 0.000 0.208 217 L C 0.694 177.578 176.870 0.023 0.000 1.071 217 L CA 1.180 56.024 54.840 0.007 0.000 0.745 217 L CB 0.002 42.056 42.059 -0.008 0.000 0.892 217 L HN 0.236 nan 8.230 nan 0.000 0.431 218 I N -1.178 119.420 120.570 0.048 0.000 2.623 218 I HA 0.175 4.346 4.170 0.000 0.000 0.275 218 I C -1.895 174.301 176.117 0.132 0.000 1.108 218 I CA -1.476 59.884 61.300 0.100 0.000 1.120 218 I CB 1.417 39.498 38.000 0.136 0.000 1.249 218 I HN -0.202 nan 8.210 nan 0.000 0.500 219 P HA -0.225 nan 4.420 nan 0.000 0.217 219 P C 1.602 178.973 177.300 0.118 0.000 1.148 219 P CA 1.397 64.547 63.100 0.084 0.000 0.834 219 P CB 0.087 31.822 31.700 0.059 0.000 0.783 220 W N 0.437 121.705 121.300 -0.053 0.000 2.313 220 W HA -0.258 4.402 4.660 0.000 0.000 0.293 220 W C 1.590 178.075 176.519 -0.057 0.000 1.216 220 W CA 1.230 58.533 57.345 -0.069 0.000 1.223 220 W CB -0.948 28.451 29.460 -0.103 0.000 1.138 220 W HN -0.265 nan 8.180 nan 0.000 0.535 221 V N 1.159 121.080 119.914 0.012 0.000 2.282 221 V HA -0.364 3.757 4.120 0.000 0.000 0.249 221 V C 2.170 178.105 176.094 -0.265 0.000 1.057 221 V CA 2.046 64.209 62.300 -0.227 0.000 1.032 221 V CB -0.857 30.967 31.823 0.001 0.000 0.645 221 V HN 0.209 nan 8.190 nan 0.000 0.447 222 I N -0.270 120.222 120.570 -0.129 0.000 2.364 222 I HA -0.037 4.133 4.170 0.000 0.000 0.241 222 I C 2.290 178.348 176.117 -0.098 0.000 1.082 222 I CA 1.077 62.322 61.300 -0.091 0.000 1.401 222 I CB -1.509 36.468 38.000 -0.039 0.000 1.126 222 I HN 0.277 nan 8.210 nan 0.000 0.429 223 D N 0.664 121.018 120.400 -0.077 0.000 2.116 223 D HA -0.247 4.394 4.640 0.000 0.000 0.193 223 D C 2.117 178.400 176.300 -0.029 0.000 0.998 223 D CA 1.618 55.596 54.000 -0.038 0.000 0.836 223 D CB -0.059 40.739 40.800 -0.002 0.000 0.951 223 D HN 0.322 nan 8.370 nan 0.000 0.449 224 Q N 0.060 119.730 119.800 -0.216 0.000 2.263 224 Q HA 0.039 4.379 4.340 0.000 0.000 0.196 224 Q C 1.998 177.847 176.000 -0.252 0.000 0.965 224 Q CA 0.839 56.439 55.803 -0.338 0.000 0.851 224 Q CB -0.216 28.113 28.738 -0.682 0.000 0.948 224 Q HN 0.112 nan 8.270 nan 0.000 0.516 225 V N -0.100 119.552 119.914 -0.437 0.000 2.273 225 V HA -0.100 4.020 4.120 0.000 0.000 0.242 225 V C 2.284 178.500 176.094 0.203 0.000 1.035 225 V CA 1.493 63.749 62.300 -0.072 0.000 1.013 225 V CB -0.663 30.863 31.823 -0.495 0.000 0.652 225 V HN 0.216 nan 8.190 nan 0.000 0.452 226 V N 0.528 120.453 119.914 0.018 0.000 2.427 226 V HA -0.203 3.917 4.120 0.000 0.000 0.248 226 V C 2.081 178.243 176.094 0.113 0.000 1.051 226 V CA 1.998 64.350 62.300 0.086 0.000 1.048 226 V CB -0.694 31.133 31.823 0.007 0.000 0.666 226 V HN 0.541 nan 8.190 nan 0.000 0.456 227 D N -1.454 118.962 120.400 0.027 0.000 2.317 227 D HA -0.035 4.605 4.640 0.000 0.000 0.211 227 D C 0.965 177.138 176.300 -0.210 0.000 0.966 227 D CA 0.777 54.715 54.000 -0.103 0.000 0.876 227 D CB -0.160 40.512 40.800 -0.212 0.000 0.927 227 D HN 0.495 nan 8.370 nan 0.000 0.519 228 H N 0.327 119.488 119.070 0.153 0.000 2.410 228 H HA 0.153 4.709 4.556 0.001 0.000 0.232 228 H C -1.573 173.923 175.328 0.280 0.000 1.535 228 H CA -1.289 54.881 56.048 0.204 0.000 1.310 228 H CB 1.331 31.155 29.762 0.104 0.000 1.518 228 H HN 0.088 nan 8.280 nan 0.000 0.545 229 P HA -0.057 nan 4.420 nan 0.000 0.229 229 P C 0.077 177.355 177.300 -0.038 0.000 1.160 229 P CA 0.501 63.676 63.100 0.126 0.000 0.777 229 P CB 0.625 32.519 31.700 0.323 0.000 0.814 230 D N 0.489 120.945 120.400 0.093 0.000 2.283 230 D HA 0.057 4.698 4.640 0.000 0.000 0.248 230 D C 0.403 176.559 176.300 -0.240 0.000 1.072 230 D CA -0.315 53.666 54.000 -0.032 0.000 0.929 230 D CB 0.061 40.928 40.800 0.111 0.000 1.182 230 D HN -0.173 nan 8.370 nan 0.000 0.433 231 N N 1.770 120.065 118.700 -0.674 0.000 3.103 231 N HA -0.015 4.726 4.740 0.000 0.000 0.305 231 N C -0.877 174.492 175.510 -0.236 0.000 1.232 231 N CA -0.298 52.217 53.050 -0.892 0.000 1.190 231 N CB -0.379 37.396 38.487 -1.187 0.000 1.461 231 N HN 0.300 nan 8.380 nan 0.000 0.538 232 D N -1.209 119.206 120.400 0.025 0.000 2.506 232 D HA 0.039 4.679 4.640 0.000 0.000 0.272 232 D C 1.154 177.473 176.300 0.033 0.000 1.214 232 D CA -0.482 53.545 54.000 0.044 0.000 1.067 232 D CB 0.251 41.112 40.800 0.101 0.000 1.117 232 D HN 0.369 nan 8.370 nan 0.000 0.578 233 E N -0.473 119.727 120.200 0.002 0.000 2.209 233 E HA -0.254 4.097 4.350 0.000 0.000 0.196 233 E C 1.508 178.068 176.600 -0.067 0.000 0.993 233 E CA 1.654 58.044 56.400 -0.016 0.000 0.819 233 E CB -0.247 29.445 29.700 -0.013 0.000 0.745 233 E HN 0.384 nan 8.360 nan 0.000 0.477 234 S N -0.612 114.976 115.700 -0.187 0.000 2.419 234 S HA -0.153 4.317 4.470 0.000 0.000 0.233 234 S C 1.606 175.986 174.600 -0.367 0.000 1.016 234 S CA 0.831 58.798 58.200 -0.387 0.000 0.974 234 S CB -0.758 61.937 63.200 -0.841 0.000 0.786 234 S HN 0.592 nan 8.310 nan 0.000 0.492 235 W N 1.746 122.991 121.300 -0.092 0.000 2.526 235 W HA 0.213 4.874 4.660 0.000 0.000 0.294 235 W C 2.942 179.461 176.519 0.001 0.000 1.181 235 W CA 0.261 57.603 57.345 -0.005 0.000 1.373 235 W CB -0.178 29.272 29.460 -0.017 0.000 1.112 235 W HN 0.289 nan 8.180 nan 0.000 0.545 236 Q N -0.142 119.769 119.800 0.185 0.000 2.226 236 Q HA -0.179 4.161 4.340 0.000 0.000 0.204 236 Q C 2.180 178.232 176.000 0.087 0.000 0.975 236 Q CA 1.455 57.325 55.803 0.111 0.000 0.866 236 Q CB -0.508 28.262 28.738 0.053 0.000 0.915 236 Q HN 0.152 nan 8.270 nan 0.000 0.440 237 S N 1.230 116.965 115.700 0.057 0.000 2.383 237 S HA -0.125 4.346 4.470 0.000 0.000 0.229 237 S C 1.835 176.474 174.600 0.065 0.000 1.030 237 S CA 1.199 59.420 58.200 0.036 0.000 1.002 237 S CB -0.123 63.071 63.200 -0.011 0.000 0.829 237 S HN 0.526 nan 8.310 nan 0.000 0.467 238 I N -1.010 119.625 120.570 0.109 0.000 3.956 238 I HA 0.363 4.534 4.170 0.000 0.000 0.333 238 I C 0.694 176.898 176.117 0.146 0.000 1.302 238 I CA -0.356 61.025 61.300 0.136 0.000 1.122 238 I CB 0.082 38.193 38.000 0.184 0.000 1.013 238 I HN 0.094 nan 8.210 nan 0.000 0.405 239 S N 1.670 117.463 115.700 0.155 0.000 2.528 239 S HA 0.316 4.786 4.470 0.000 0.000 0.277 239 S C 0.835 175.496 174.600 0.103 0.000 1.297 239 S CA -0.543 57.740 58.200 0.138 0.000 1.052 239 S CB 0.801 64.086 63.200 0.141 0.000 0.917 239 S HN 0.315 nan 8.310 nan 0.000 0.492 240 L N 5.357 126.634 121.223 0.090 0.000 2.590 240 L HA 0.229 4.569 4.340 0.000 0.000 0.227 240 L C 1.536 178.416 176.870 0.016 0.000 1.099 240 L CA 0.548 55.422 54.840 0.056 0.000 0.872 240 L CB -1.852 40.246 42.059 0.066 0.000 1.088 240 L HN 0.746 nan 8.230 nan 0.000 0.479 241 F N 1.923 121.817 119.950 -0.093 0.000 2.126 241 F HA -0.186 4.342 4.527 0.001 0.000 0.299 241 F C 2.435 178.180 175.800 -0.092 0.000 1.096 241 F CA 1.602 59.522 58.000 -0.132 0.000 1.255 241 F CB 0.309 39.239 39.000 -0.116 0.000 0.997 241 F HN 0.073 nan 8.300 nan 0.000 0.479 242 E N 0.273 120.478 120.200 0.009 0.000 2.110 242 E HA -0.166 4.185 4.350 0.000 0.000 0.193 242 E C 2.289 178.814 176.600 -0.126 0.000 0.988 242 E CA 1.000 57.368 56.400 -0.052 0.000 0.804 242 E CB -0.411 29.307 29.700 0.030 0.000 0.745 242 E HN 0.473 nan 8.360 nan 0.000 0.458 243 R N 0.307 120.751 120.500 -0.095 0.000 2.285 243 R HA 0.045 4.385 4.340 0.000 0.000 0.213 243 R C 2.409 178.638 176.300 -0.119 0.000 1.068 243 R CA 0.210 56.263 56.100 -0.078 0.000 1.004 243 R CB -0.148 30.138 30.300 -0.024 0.000 0.873 243 R HN 0.172 nan 8.270 nan 0.000 0.467 244 L N -0.676 120.405 121.223 -0.237 0.000 2.046 244 L HA -0.095 4.246 4.340 0.000 0.000 0.208 244 L C 2.495 179.245 176.870 -0.201 0.000 1.077 244 L CA 1.424 56.110 54.840 -0.257 0.000 0.747 244 L CB -0.841 40.914 42.059 -0.507 0.000 0.896 244 L HN 0.336 nan 8.230 nan 0.000 0.432 245 G N -0.085 108.573 108.800 -0.235 0.000 2.450 245 G HA2 -0.227 3.734 3.960 0.000 0.000 0.220 245 G HA3 -0.227 3.734 3.960 0.000 0.000 0.220 245 G C 1.544 176.391 174.900 -0.089 0.000 1.130 245 G CA 0.761 45.769 45.100 -0.154 0.000 0.760 245 G HN 0.506 nan 8.290 nan 0.000 0.557 246 G N -0.004 108.751 108.800 -0.074 0.000 2.509 246 G HA2 0.101 4.061 3.960 0.000 0.000 0.218 246 G HA3 0.101 4.061 3.960 0.000 0.000 0.218 246 G C 0.789 175.675 174.900 -0.024 0.000 1.124 246 G CA -0.054 45.022 45.100 -0.041 0.000 0.776 246 G HN 0.397 nan 8.290 nan 0.000 0.547 247 L N -0.137 121.073 121.223 -0.022 0.000 2.421 247 L HA 0.536 4.877 4.340 0.000 0.000 0.263 247 L C 0.772 177.645 176.870 0.004 0.000 1.122 247 L CA -0.483 54.362 54.840 0.007 0.000 0.804 247 L CB 1.724 43.810 42.059 0.046 0.000 1.150 247 L HN 0.056 nan 8.230 nan 0.000 0.457 248 A N 0.751 123.578 122.820 0.010 0.000 2.705 248 A HA 0.323 4.643 4.320 0.000 0.000 0.294 248 A C 0.042 177.624 177.584 -0.004 0.000 1.039 248 A CA -0.277 51.761 52.037 0.001 0.000 1.005 248 A CB 0.053 19.052 19.000 -0.002 0.000 1.192 248 A HN 0.627 nan 8.150 nan 0.000 0.513 249 T N 3.212 117.775 114.554 0.015 0.000 2.744 249 T HA 0.469 4.819 4.350 0.000 0.000 0.291 249 T C -2.736 171.958 174.700 -0.010 0.000 0.957 249 T CA -1.009 61.090 62.100 -0.002 0.000 1.002 249 T CB 1.129 70.016 68.868 0.031 0.000 0.919 249 T HN 0.171 nan 8.240 nan 0.000 0.468 250 P HA 0.395 nan 4.420 nan 0.000 0.268 250 P C -1.249 176.159 177.300 0.180 0.000 1.205 250 P CA -0.347 62.694 63.100 -0.099 0.000 0.771 250 P CB 0.451 31.689 31.700 -0.770 0.000 0.858 251 A N 3.449 126.433 122.820 0.273 0.000 2.408 251 A HA 0.491 4.811 4.320 0.000 0.000 0.295 251 A C -1.139 176.342 177.584 -0.173 0.000 1.040 251 A CA -0.706 51.384 52.037 0.089 0.000 0.707 251 A CB 0.820 19.869 19.000 0.082 0.000 1.235 251 A HN 0.593 nan 8.150 nan 0.000 0.418 252 L N 4.335 125.162 121.223 -0.659 0.000 2.259 252 L HA 0.555 4.895 4.340 0.000 0.000 0.288 252 L C -1.222 175.432 176.870 -0.360 0.000 1.051 252 L CA -0.496 53.836 54.840 -0.847 0.000 0.824 252 L CB 0.078 41.201 42.059 -1.561 0.000 1.206 252 L HN 0.649 nan 8.230 nan 0.000 0.429 253 I N 4.224 124.707 120.570 -0.146 0.000 2.339 253 I HA 0.290 4.460 4.170 0.000 0.000 0.290 253 I C -0.056 176.039 176.117 -0.038 0.000 0.994 253 I CA -0.192 61.104 61.300 -0.007 0.000 1.191 253 I CB 1.815 39.913 38.000 0.164 0.000 1.343 253 I HN 0.466 nan 8.210 nan 0.000 0.458 254 T N 5.377 119.939 114.554 0.014 0.000 2.823 254 T HA 0.812 5.162 4.350 0.000 0.000 0.279 254 T C -0.277 174.453 174.700 0.049 0.000 0.998 254 T CA -0.569 61.569 62.100 0.064 0.000 0.994 254 T CB 1.868 70.840 68.868 0.172 0.000 0.960 254 T HN 0.701 nan 8.240 nan 0.000 0.448 255 A N 1.576 124.403 122.820 0.012 0.000 2.569 255 A HA 0.967 5.287 4.320 0.000 0.000 0.290 255 A C -0.363 177.186 177.584 -0.057 0.000 1.136 255 A CA -0.820 51.187 52.037 -0.050 0.000 0.710 255 A CB 1.671 20.542 19.000 -0.215 0.000 1.303 255 A HN 1.041 nan 8.150 nan 0.000 0.413 256 G N -1.517 107.249 108.800 -0.056 0.000 2.542 256 G HA2 0.477 4.437 3.960 0.000 0.000 0.311 256 G HA3 0.477 4.437 3.960 0.000 0.000 0.311 256 G C -0.078 174.683 174.900 -0.232 0.000 1.298 256 G CA -0.556 44.468 45.100 -0.126 0.000 0.973 256 G HN 0.797 nan 8.290 nan 0.000 0.487 257 W N 0.339 121.503 121.300 -0.227 0.000 2.364 257 W HA -0.066 4.594 4.660 0.000 0.000 0.281 257 W C 0.807 177.057 176.519 -0.449 0.000 1.219 257 W CA 0.220 57.336 57.345 -0.383 0.000 1.220 257 W CB 0.018 29.131 29.460 -0.578 0.000 1.127 257 W HN 0.575 nan 8.180 nan 0.000 0.556 258 Y N -0.498 119.907 120.300 0.176 0.000 2.681 258 Y HA 0.195 4.746 4.550 0.001 0.000 0.267 258 Y C -0.178 175.793 175.900 0.118 0.000 1.166 258 Y CA -0.763 57.421 58.100 0.140 0.000 1.209 258 Y CB -0.304 38.236 38.460 0.133 0.000 1.161 258 Y HN -0.268 nan 8.280 nan 0.000 0.534 259 D N -0.751 119.775 120.400 0.210 0.000 2.198 259 D HA 0.295 4.935 4.640 0.000 0.000 0.245 259 D C 1.589 177.965 176.300 0.126 0.000 1.079 259 D CA 0.063 54.194 54.000 0.219 0.000 0.854 259 D CB 1.490 42.450 40.800 0.267 0.000 1.148 259 D HN 0.313 nan 8.370 nan 0.000 0.456 260 G N 2.309 111.127 108.800 0.031 0.000 2.517 260 G HA2 -0.273 3.688 3.960 0.000 0.000 0.222 260 G HA3 -0.273 3.688 3.960 0.000 0.000 0.222 260 G C 0.962 175.684 174.900 -0.296 0.000 1.109 260 G CA 0.614 45.589 45.100 -0.208 0.000 0.746 260 G HN 0.564 nan 8.290 nan 0.000 0.576 261 F N -0.718 119.186 119.950 -0.076 0.000 2.727 261 F HA 0.261 4.788 4.527 0.001 0.000 0.302 261 F C 2.241 178.021 175.800 -0.033 0.000 1.097 261 F CA -0.251 57.707 58.000 -0.069 0.000 1.330 261 F CB 0.219 39.195 39.000 -0.039 0.000 1.084 261 F HN 0.013 nan 8.300 nan 0.000 0.578 262 V N 0.616 120.603 119.914 0.121 0.000 2.278 262 V HA -0.288 3.832 4.120 0.000 0.000 0.251 262 V C 2.451 178.573 176.094 0.048 0.000 1.062 262 V CA 2.632 64.965 62.300 0.054 0.000 1.038 262 V CB -0.937 30.910 31.823 0.040 0.000 0.646 262 V HN 0.423 nan 8.190 nan 0.000 0.447 263 G N -0.940 107.893 108.800 0.054 0.000 2.476 263 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 263 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 263 G C 1.470 176.396 174.900 0.044 0.000 1.164 263 G CA 0.967 46.101 45.100 0.057 0.000 0.768 263 G HN 0.560 nan 8.290 nan 0.000 0.560 264 E N 0.746 120.964 120.200 0.029 0.000 2.158 264 E HA 0.007 4.357 4.350 0.000 0.000 0.191 264 E C 2.940 179.589 176.600 0.082 0.000 0.982 264 E CA 0.675 57.088 56.400 0.022 0.000 0.823 264 E CB -0.255 29.453 29.700 0.013 0.000 0.766 264 E HN 0.354 nan 8.360 nan 0.000 0.468 265 S N 1.371 117.140 115.700 0.115 0.000 2.356 265 S HA -0.092 4.379 4.470 0.000 0.000 0.223 265 S C 2.172 176.834 174.600 0.103 0.000 1.032 265 S CA 0.832 59.107 58.200 0.125 0.000 1.005 265 S CB -0.291 62.958 63.200 0.082 0.000 0.867 265 S HN 0.185 nan 8.310 nan 0.000 0.449 266 L N 0.845 122.084 121.223 0.027 0.000 2.079 266 L HA -0.105 4.236 4.340 0.000 0.000 0.210 266 L C 2.622 179.636 176.870 0.239 0.000 1.081 266 L CA 1.272 56.121 54.840 0.015 0.000 0.752 266 L CB -0.430 41.585 42.059 -0.074 0.000 0.896 266 L HN 0.206 nan 8.230 nan 0.000 0.433 267 R N -0.534 120.091 120.500 0.208 0.000 2.189 267 R HA -0.101 4.239 4.340 0.000 0.000 0.218 267 R C 2.414 178.916 176.300 0.337 0.000 1.074 267 R CA 1.579 57.836 56.100 0.261 0.000 0.991 267 R CB -0.380 29.977 30.300 0.095 0.000 0.883 267 R HN 0.540 nan 8.270 nan 0.000 0.457 268 T N -1.520 113.163 114.554 0.214 0.000 2.857 268 T HA -0.132 4.219 4.350 0.000 0.000 0.266 268 T C 1.667 176.455 174.700 0.147 0.000 1.048 268 T CA 0.681 62.800 62.100 0.031 0.000 1.139 268 T CB -0.379 68.361 68.868 -0.214 0.000 0.874 268 T HN 0.191 nan 8.240 nan 0.000 0.455 269 F N 2.325 122.355 119.950 0.134 0.000 2.126 269 F HA -0.042 4.485 4.527 0.000 0.000 0.299 269 F C 2.210 178.107 175.800 0.162 0.000 1.096 269 F CA 1.090 59.180 58.000 0.150 0.000 1.255 269 F CB -0.481 38.585 39.000 0.110 0.000 0.997 269 F HN 0.004 nan 8.300 nan 0.000 0.479 270 V N 0.360 120.437 119.914 0.272 0.000 2.515 270 V HA -0.253 3.867 4.120 0.000 0.000 0.250 270 V C 2.645 178.745 176.094 0.010 0.000 1.058 270 V CA 1.648 64.051 62.300 0.172 0.000 1.064 270 V CB -1.415 30.603 31.823 0.324 0.000 0.675 270 V HN 0.491 nan 8.190 nan 0.000 0.461 271 A N 0.165 122.983 122.820 -0.003 0.000 2.066 271 A HA -0.029 4.291 4.320 0.000 0.000 0.218 271 A C 2.168 179.656 177.584 -0.161 0.000 1.157 271 A CA 1.725 53.678 52.037 -0.139 0.000 0.670 271 A CB -0.254 18.513 19.000 -0.387 0.000 0.804 271 A HN 0.621 nan 8.150 nan 0.000 0.453 272 V N -2.137 117.692 119.914 -0.141 0.000 3.621 272 V HA 0.029 4.149 4.120 0.000 0.000 0.263 272 V C 1.869 177.875 176.094 -0.147 0.000 1.272 272 V CA 1.027 63.269 62.300 -0.098 0.000 1.080 272 V CB -0.536 31.309 31.823 0.036 0.000 0.816 272 V HN 0.621 nan 8.190 nan 0.000 0.451 273 K N 0.873 121.098 120.400 -0.292 0.000 2.209 273 K HA -0.162 4.158 4.320 0.000 0.000 0.204 273 K C 1.344 177.854 176.600 -0.150 0.000 1.048 273 K CA 2.046 58.125 56.287 -0.347 0.000 0.940 273 K CB -0.469 31.635 32.500 -0.660 0.000 0.729 273 K HN 0.410 nan 8.250 nan 0.000 0.451 274 D N 0.886 121.224 120.400 -0.103 0.000 2.234 274 D HA -0.056 4.584 4.640 0.000 0.000 0.205 274 D C 1.276 177.555 176.300 -0.034 0.000 0.962 274 D CA 0.710 54.679 54.000 -0.050 0.000 0.855 274 D CB -0.072 40.705 40.800 -0.038 0.000 0.951 274 D HN 0.300 nan 8.370 nan 0.000 0.500 275 N N 0.101 118.776 118.700 -0.041 0.000 2.405 275 N HA 0.167 4.907 4.740 0.000 0.000 0.175 275 N C 0.382 175.883 175.510 -0.014 0.000 1.051 275 N CA 0.297 53.333 53.050 -0.025 0.000 0.899 275 N CB 1.154 39.624 38.487 -0.029 0.000 1.000 275 N HN 0.056 nan 8.380 nan 0.000 0.451 276 A N -0.102 122.709 122.820 -0.015 0.000 2.610 276 A HA 0.285 4.606 4.320 0.000 0.000 0.291 276 A C -1.671 175.921 177.584 0.014 0.000 1.086 276 A CA -0.734 51.301 52.037 -0.004 0.000 0.677 276 A CB 0.820 19.810 19.000 -0.016 0.000 1.278 276 A HN -0.017 nan 8.150 nan 0.000 0.414 277 D N 1.104 121.531 120.400 0.044 0.000 2.356 277 D HA 0.447 5.087 4.640 0.000 0.000 0.272 277 D C 0.272 176.677 176.300 0.175 0.000 1.337 277 D CA 1.147 55.227 54.000 0.132 0.000 0.970 277 D CB 0.297 41.248 40.800 0.250 0.000 1.092 277 D HN 0.832 nan 8.370 nan 0.000 0.516 278 A N 4.959 127.862 122.820 0.138 0.000 2.324 278 A HA 0.793 5.113 4.320 0.000 0.000 0.330 278 A C -0.135 177.679 177.584 0.384 0.000 1.165 278 A CA -0.839 51.306 52.037 0.181 0.000 0.813 278 A CB 1.104 20.038 19.000 -0.110 0.000 1.197 278 A HN 0.505 nan 8.150 nan 0.000 0.484 279 R N 0.636 121.337 120.500 0.336 0.000 2.750 279 R HA 0.666 5.006 4.340 0.000 0.000 0.281 279 R C -1.854 174.497 176.300 0.085 0.000 0.972 279 R CA -0.770 55.456 56.100 0.209 0.000 0.912 279 R CB 1.730 32.005 30.300 -0.041 0.000 1.187 279 R HN 0.614 nan 8.270 nan 0.000 0.464 280 L N 1.231 122.368 121.223 -0.143 0.000 2.408 280 L HA 0.595 4.935 4.340 0.000 0.000 0.268 280 L C -1.417 175.319 176.870 -0.224 0.000 0.986 280 L CA -0.694 53.939 54.840 -0.346 0.000 0.820 280 L CB 2.374 43.879 42.059 -0.924 0.000 1.303 280 L HN 0.343 nan 8.230 nan 0.000 0.411 281 V N 5.172 124.986 119.914 -0.166 0.000 2.525 281 V HA 0.631 4.752 4.120 0.000 0.000 0.299 281 V C -1.021 175.031 176.094 -0.070 0.000 1.034 281 V CA -0.614 61.658 62.300 -0.048 0.000 0.863 281 V CB 2.066 33.903 31.823 0.023 0.000 0.999 281 V HN 0.496 nan 8.190 nan 0.000 0.423 282 V N 3.902 123.730 119.914 -0.144 0.000 2.482 282 V HA 0.810 4.931 4.120 0.000 0.000 0.295 282 V C 0.569 176.246 176.094 -0.694 0.000 1.026 282 V CA -0.197 61.761 62.300 -0.569 0.000 0.856 282 V CB 1.561 32.645 31.823 -1.231 0.000 1.001 282 V HN 0.929 nan 8.190 nan 0.000 0.424 283 G N 4.200 112.311 108.800 -1.148 0.000 2.601 283 G HA2 0.681 4.641 3.960 0.000 0.000 0.317 283 G HA3 0.681 4.641 3.960 0.000 0.000 0.317 283 G C -2.363 171.501 174.900 -1.726 0.000 1.246 283 G CA -1.598 42.300 45.100 -2.003 0.000 1.012 283 G HN 0.503 nan 8.290 nan 0.000 0.494 284 P HA 0.135 nan 4.420 nan 0.000 0.244 284 P C -0.592 176.526 177.300 -0.304 0.000 1.632 284 P CA -0.238 62.404 63.100 -0.763 0.000 0.944 284 P CB 0.000 30.890 31.700 -1.349 0.000 1.569 285 W N 1.013 122.320 121.300 0.011 0.000 2.375 285 W HA 0.352 5.012 4.660 0.000 0.000 0.336 285 W C 0.966 177.574 176.519 0.149 0.000 1.160 285 W CA -0.455 56.931 57.345 0.069 0.000 1.266 285 W CB 0.501 29.968 29.460 0.011 0.000 1.195 285 W HN -0.031 nan 8.180 nan 0.000 0.599 286 S N -0.539 115.374 115.700 0.356 0.000 2.758 286 S HA 0.153 4.623 4.470 0.000 0.000 0.292 286 S C 0.683 175.403 174.600 0.200 0.000 1.131 286 S CA -0.249 58.110 58.200 0.266 0.000 0.997 286 S CB 1.437 64.743 63.200 0.176 0.000 1.111 286 S HN 0.523 nan 8.310 nan 0.000 0.552 287 H N 0.902 120.006 119.070 0.056 0.000 2.387 287 H HA -0.015 4.542 4.556 0.000 0.000 0.299 287 H C 1.967 177.263 175.328 -0.053 0.000 1.090 287 H CA 2.242 58.294 56.048 0.007 0.000 1.332 287 H CB -0.045 29.705 29.762 -0.021 0.000 1.386 287 H HN 0.681 nan 8.280 nan 0.000 0.516 288 S N -1.650 114.046 115.700 -0.007 0.000 2.559 288 S HA 0.086 4.556 4.470 0.000 0.000 0.226 288 S C 0.307 174.876 174.600 -0.051 0.000 1.000 288 S CA -0.410 57.748 58.200 -0.069 0.000 0.948 288 S CB 0.240 63.394 63.200 -0.076 0.000 0.870 288 S HN 0.285 nan 8.310 nan 0.000 0.497 289 N N 1.091 119.786 118.700 -0.008 0.000 2.617 289 N HA 0.415 5.155 4.740 0.000 0.000 0.263 289 N C -0.954 174.602 175.510 0.077 0.000 1.074 289 N CA -0.500 52.563 53.050 0.023 0.000 0.841 289 N CB 1.028 39.539 38.487 0.041 0.000 1.221 289 N HN 0.168 nan 8.380 nan 0.000 0.529 290 L N 2.318 123.525 121.223 -0.027 0.000 3.017 290 L HA 0.265 4.605 4.340 0.000 0.000 0.255 290 L C 1.856 178.752 176.870 0.043 0.000 1.247 290 L CA 0.049 54.816 54.840 -0.122 0.000 1.038 290 L CB 0.338 42.048 42.059 -0.583 0.000 1.380 290 L HN 0.605 nan 8.230 nan 0.000 0.548 291 T N -4.634 109.996 114.554 0.127 0.000 3.035 291 T HA 0.171 4.521 4.350 0.000 0.000 0.259 291 T C 1.718 176.541 174.700 0.205 0.000 1.078 291 T CA 0.709 62.885 62.100 0.126 0.000 1.132 291 T CB 0.120 69.029 68.868 0.070 0.000 0.900 291 T HN 0.373 nan 8.240 nan 0.000 0.480 292 G N 1.603 110.581 108.800 0.297 0.000 2.179 292 G HA2 -0.251 3.710 3.960 0.000 0.000 0.260 292 G HA3 -0.251 3.710 3.960 0.000 0.000 0.260 292 G C 0.133 175.179 174.900 0.243 0.000 0.977 292 G CA 0.012 45.316 45.100 0.341 0.000 0.641 292 G HN 0.699 nan 8.290 nan 0.000 0.533 293 R N 0.638 121.213 120.500 0.124 0.000 2.393 293 R HA 0.597 4.937 4.340 0.000 0.000 0.310 293 R C -0.291 175.996 176.300 -0.021 0.000 0.968 293 R CA -0.601 55.507 56.100 0.012 0.000 0.867 293 R CB 0.955 31.259 30.300 0.008 0.000 1.124 293 R HN 0.288 nan 8.270 nan 0.000 0.450 294 N N 0.385 119.023 118.700 -0.104 0.000 2.571 294 N HA 0.213 4.953 4.740 0.000 0.000 0.273 294 N C 0.333 175.761 175.510 -0.137 0.000 1.340 294 N CA -0.406 52.573 53.050 -0.118 0.000 0.789 294 N CB 1.826 40.219 38.487 -0.157 0.000 1.514 294 N HN 0.466 nan 8.380 nan 0.000 0.499 295 A N 0.347 123.092 122.820 -0.124 0.000 1.903 295 A HA -0.186 4.134 4.320 0.000 0.000 0.219 295 A C 0.786 178.287 177.584 -0.139 0.000 1.191 295 A CA 1.822 53.790 52.037 -0.115 0.000 0.638 295 A CB -0.228 18.709 19.000 -0.105 0.000 0.823 295 A HN 0.694 nan 8.150 nan 0.000 0.451 296 D N -2.424 117.869 120.400 -0.179 0.000 2.535 296 D HA 0.276 4.916 4.640 0.000 0.000 0.229 296 D C -0.114 176.009 176.300 -0.295 0.000 1.238 296 D CA 0.030 53.902 54.000 -0.213 0.000 0.824 296 D CB 0.564 41.240 40.800 -0.206 0.000 1.045 296 D HN 0.240 nan 8.370 nan 0.000 0.500 297 R N 0.886 121.197 120.500 -0.316 0.000 2.523 297 R HA 0.283 4.623 4.340 0.000 0.000 0.278 297 R C -1.791 174.191 176.300 -0.529 0.000 1.150 297 R CA -0.422 55.406 56.100 -0.453 0.000 0.987 297 R CB 0.999 30.985 30.300 -0.524 0.000 1.232 297 R HN -0.327 nan 8.270 nan 0.000 0.424 298 K N 3.722 123.840 120.400 -0.470 0.000 2.323 298 K HA 0.412 4.732 4.320 0.000 0.000 0.259 298 K C -0.455 175.934 176.600 -0.351 0.000 0.947 298 K CA -0.298 55.781 56.287 -0.347 0.000 0.819 298 K CB 0.853 33.268 32.500 -0.142 0.000 1.109 298 K HN 0.429 nan 8.250 nan 0.000 0.429 299 F N 0.998 120.974 119.950 0.043 0.000 2.727 299 F HA 0.317 4.844 4.527 0.001 0.000 0.302 299 F C 1.052 176.930 175.800 0.130 0.000 1.097 299 F CA 0.081 58.135 58.000 0.090 0.000 1.330 299 F CB 0.217 39.184 39.000 -0.054 0.000 1.084 299 F HN 0.731 nan 8.300 nan 0.000 0.578 300 G N 0.809 109.732 108.800 0.206 0.000 2.690 300 G HA2 -0.244 3.716 3.960 0.000 0.000 0.686 300 G HA3 -0.244 3.716 3.960 0.000 0.000 0.686 300 G C 0.569 175.571 174.900 0.170 0.000 1.277 300 G CA -0.324 44.883 45.100 0.178 0.000 0.799 300 G HN 0.280 nan 8.290 nan 0.000 0.613 301 I N 0.944 121.600 120.570 0.143 0.000 2.423 301 I HA -0.048 4.123 4.170 0.000 0.000 0.254 301 I C 2.711 178.936 176.117 0.179 0.000 1.151 301 I CA 2.679 64.059 61.300 0.134 0.000 1.421 301 I CB -0.136 37.924 38.000 0.099 0.000 1.079 301 I HN 1.006 nan 8.210 nan 0.000 0.431 302 A N 0.354 123.315 122.820 0.235 0.000 2.067 302 A HA -0.039 4.282 4.320 0.000 0.000 0.219 302 A C 2.373 180.223 177.584 0.444 0.000 1.158 302 A CA 1.378 53.627 52.037 0.353 0.000 0.661 302 A CB -0.776 18.483 19.000 0.431 0.000 0.801 302 A HN 0.549 nan 8.150 nan 0.000 0.452 303 A N -0.785 122.139 122.820 0.174 0.000 2.067 303 A HA 0.170 4.490 4.320 0.000 0.000 0.217 303 A C 1.291 179.034 177.584 0.266 0.000 1.156 303 A CA 0.975 52.891 52.037 -0.203 0.000 0.683 303 A CB -0.812 17.822 19.000 -0.609 0.000 0.808 303 A HN 0.328 nan 8.150 nan 0.000 0.455 304 T N 0.543 115.270 114.554 0.288 0.000 2.908 304 T HA 0.086 4.436 4.350 0.000 0.000 0.301 304 T C -0.045 174.860 174.700 0.341 0.000 1.019 304 T CA 0.091 62.368 62.100 0.295 0.000 1.152 304 T CB -0.183 68.781 68.868 0.161 0.000 0.966 304 T HN 0.290 nan 8.240 nan 0.000 0.540 305 Y N 6.737 127.079 120.300 0.070 0.000 2.863 305 Y HA 0.090 4.640 4.550 0.000 0.000 0.359 305 Y C -1.876 173.977 175.900 -0.078 0.000 1.312 305 Y CA -1.966 55.994 58.100 -0.234 0.000 1.650 305 Y CB 0.222 38.246 38.460 -0.726 0.000 1.201 305 Y HN 0.380 nan 8.280 nan 0.000 0.531 306 P HA 0.144 nan 4.420 nan 0.000 0.241 306 P C 0.800 177.792 177.300 -0.514 0.000 1.780 306 P CA 0.082 62.966 63.100 -0.361 0.000 1.111 306 P CB 0.282 31.811 31.700 -0.285 0.000 1.852 307 I N 1.540 121.898 120.570 -0.353 0.000 2.286 307 I HA -0.322 3.848 4.170 0.000 0.000 0.248 307 I C 2.139 178.146 176.117 -0.183 0.000 1.115 307 I CA 1.754 62.924 61.300 -0.217 0.000 1.392 307 I CB 0.183 38.171 38.000 -0.019 0.000 1.065 307 I HN 0.127 nan 8.210 nan 0.000 0.418 308 Q N 1.159 120.862 119.800 -0.162 0.000 2.079 308 Q HA -0.232 4.108 4.340 0.000 0.000 0.200 308 Q C 1.953 177.880 176.000 -0.122 0.000 0.974 308 Q CA 1.971 57.694 55.803 -0.133 0.000 0.840 308 Q CB -0.217 28.456 28.738 -0.108 0.000 0.898 308 Q HN 0.571 nan 8.270 nan 0.000 0.430 309 E N -0.379 119.731 120.200 -0.151 0.000 2.110 309 E HA -0.161 4.190 4.350 0.000 0.000 0.193 309 E C 1.844 178.367 176.600 -0.128 0.000 0.988 309 E CA 0.884 57.196 56.400 -0.147 0.000 0.804 309 E CB -0.208 29.370 29.700 -0.203 0.000 0.745 309 E HN 0.473 nan 8.360 nan 0.000 0.458 310 A N 0.978 123.695 122.820 -0.172 0.000 1.902 310 A HA -0.186 4.134 4.320 0.000 0.000 0.217 310 A C 2.367 180.013 177.584 0.103 0.000 1.181 310 A CA 1.876 53.883 52.037 -0.050 0.000 0.623 310 A CB -0.850 18.066 19.000 -0.140 0.000 0.818 310 A HN 0.180 nan 8.150 nan 0.000 0.443 311 T N -0.101 114.447 114.554 -0.010 0.000 2.674 311 T HA -0.135 4.215 4.350 0.000 0.000 0.265 311 T C 2.025 176.833 174.700 0.179 0.000 1.039 311 T CA 1.996 64.112 62.100 0.027 0.000 1.150 311 T CB -0.707 68.064 68.868 -0.161 0.000 0.864 311 T HN 0.550 nan 8.240 nan 0.000 0.427 312 T N 2.195 116.794 114.554 0.075 0.000 2.720 312 T HA -0.078 4.273 4.350 0.000 0.000 0.268 312 T C 1.951 176.704 174.700 0.089 0.000 1.037 312 T CA 1.283 63.431 62.100 0.080 0.000 1.144 312 T CB -0.357 68.521 68.868 0.016 0.000 0.864 312 T HN 0.289 nan 8.240 nan 0.000 0.444 313 M N -0.022 119.616 119.600 0.062 0.000 2.099 313 M HA -0.151 4.329 4.480 0.000 0.000 0.262 313 M C 2.205 178.494 176.300 -0.018 0.000 1.067 313 M CA 1.779 57.085 55.300 0.010 0.000 1.124 313 M CB -0.191 32.380 32.600 -0.048 0.000 1.353 313 M HN 0.275 nan 8.290 nan 0.000 0.410 314 H N 0.010 119.024 119.070 -0.093 0.000 2.352 314 H HA -0.153 4.404 4.556 0.000 0.000 0.299 314 H C 2.057 177.187 175.328 -0.330 0.000 1.097 314 H CA 2.006 57.877 56.048 -0.296 0.000 1.311 314 H CB -0.200 29.494 29.762 -0.113 0.000 1.377 314 H HN 0.342 nan 8.280 nan 0.000 0.504 315 K N 0.317 120.783 120.400 0.110 0.000 2.057 315 K HA -0.113 4.207 4.320 0.000 0.000 0.207 315 K C 2.315 178.971 176.600 0.094 0.000 1.049 315 K CA 1.019 57.369 56.287 0.104 0.000 0.931 315 K CB -0.126 32.560 32.500 0.311 0.000 0.714 315 K HN 0.278 nan 8.250 nan 0.000 0.440 316 A N 0.859 123.724 122.820 0.075 0.000 1.902 316 A HA -0.184 4.136 4.320 0.000 0.000 0.217 316 A C 1.996 179.600 177.584 0.033 0.000 1.181 316 A CA 1.407 53.477 52.037 0.054 0.000 0.623 316 A CB -0.838 18.187 19.000 0.042 0.000 0.818 316 A HN 0.500 nan 8.150 nan 0.000 0.443 317 F N -0.298 119.541 119.950 -0.185 0.000 2.102 317 F HA -0.156 4.371 4.527 0.001 0.000 0.298 317 F C 1.860 177.594 175.800 -0.110 0.000 1.105 317 F CA 1.763 59.632 58.000 -0.219 0.000 1.239 317 F CB -0.360 38.367 39.000 -0.455 0.000 0.991 317 F HN 0.216 nan 8.300 nan 0.000 0.474 318 F N 0.672 120.634 119.950 0.019 0.000 2.259 318 F HA -0.108 4.419 4.527 0.000 0.000 0.298 318 F C 2.275 178.097 175.800 0.036 0.000 1.088 318 F CA 1.106 59.072 58.000 -0.057 0.000 1.358 318 F CB -1.225 37.627 39.000 -0.247 0.000 1.040 318 F HN -0.025 nan 8.300 nan 0.000 0.505 319 D N -0.205 120.325 120.400 0.216 0.000 2.144 319 D HA -0.152 4.488 4.640 0.000 0.000 0.199 319 D C 2.356 178.653 176.300 -0.005 0.000 0.984 319 D CA 0.930 55.020 54.000 0.149 0.000 0.834 319 D CB -0.220 40.653 40.800 0.122 0.000 0.955 319 D HN 0.057 nan 8.370 nan 0.000 0.465 320 R N 0.157 120.574 120.500 -0.138 0.000 2.066 320 R HA -0.089 4.251 4.340 0.000 0.000 0.232 320 R C 1.857 177.920 176.300 -0.396 0.000 1.131 320 R CA 1.604 57.504 56.100 -0.334 0.000 0.955 320 R CB -0.418 29.548 30.300 -0.558 0.000 0.851 320 R HN 0.306 nan 8.270 nan 0.000 0.432 321 H N -1.400 117.574 119.070 -0.160 0.000 2.595 321 H HA 0.185 4.742 4.556 0.001 0.000 0.265 321 H C 1.007 176.308 175.328 -0.045 0.000 0.953 321 H CA 0.696 56.651 56.048 -0.155 0.000 1.197 321 H CB 0.669 30.236 29.762 -0.324 0.000 1.438 321 H HN 0.152 nan 8.280 nan 0.000 0.531 322 L N -0.490 120.804 121.223 0.119 0.000 2.609 322 L HA 0.181 4.521 4.340 0.000 0.000 0.230 322 L C 1.873 178.778 176.870 0.057 0.000 1.087 322 L CA 0.692 55.600 54.840 0.114 0.000 0.874 322 L CB 0.422 42.598 42.059 0.196 0.000 1.114 322 L HN -0.061 nan 8.230 nan 0.000 0.488 323 R N -0.733 119.790 120.500 0.039 0.000 2.476 323 R HA 0.326 4.667 4.340 0.000 0.000 0.276 323 R C 0.952 177.241 176.300 -0.019 0.000 0.941 323 R CA 0.558 56.655 56.100 -0.005 0.000 1.088 323 R CB 0.639 30.933 30.300 -0.010 0.000 1.216 323 R HN 0.228 nan 8.270 nan 0.000 0.533 324 G N 2.284 111.067 108.800 -0.028 0.000 2.225 324 G HA2 -0.314 3.646 3.960 0.000 0.000 0.267 324 G HA3 -0.314 3.646 3.960 0.000 0.000 0.267 324 G C -0.231 174.640 174.900 -0.049 0.000 1.024 324 G CA 0.296 45.372 45.100 -0.041 0.000 0.784 324 G HN 0.409 nan 8.290 nan 0.000 0.507 325 E N 0.824 120.991 120.200 -0.056 0.000 1.861 325 E HA 0.283 4.634 4.350 0.000 0.000 0.263 325 E C 1.871 178.430 176.600 -0.068 0.000 1.137 325 E CA 0.308 56.680 56.400 -0.047 0.000 0.944 325 E CB 0.153 29.837 29.700 -0.026 0.000 1.092 325 E HN 0.496 nan 8.360 nan 0.000 0.420 326 T N -0.441 114.077 114.554 -0.059 0.000 2.897 326 T HA -0.162 4.188 4.350 0.000 0.000 0.271 326 T C 0.869 175.536 174.700 -0.055 0.000 1.084 326 T CA 0.966 63.026 62.100 -0.066 0.000 1.123 326 T CB 0.093 68.936 68.868 -0.042 0.000 0.865 326 T HN 0.170 nan 8.240 nan 0.000 0.496 327 D N 0.799 121.176 120.400 -0.038 0.000 2.340 327 D HA 0.427 5.067 4.640 0.000 0.000 0.217 327 D C 2.035 178.321 176.300 -0.023 0.000 1.081 327 D CA 0.510 54.495 54.000 -0.025 0.000 0.842 327 D CB 0.033 40.825 40.800 -0.012 0.000 0.934 327 D HN 0.553 nan 8.370 nan 0.000 0.511 328 A N 0.368 123.165 122.820 -0.038 0.000 2.024 328 A HA -0.102 4.219 4.320 0.000 0.000 0.220 328 A C 1.842 179.418 177.584 -0.014 0.000 1.164 328 A CA 0.882 52.904 52.037 -0.024 0.000 0.643 328 A CB -0.342 18.638 19.000 -0.033 0.000 0.806 328 A HN 0.262 nan 8.150 nan 0.000 0.451 329 L N -0.440 120.770 121.223 -0.022 0.000 2.741 329 L HA 0.304 4.644 4.340 0.000 0.000 0.237 329 L C 0.983 177.862 176.870 0.015 0.000 1.178 329 L CA -0.361 54.483 54.840 0.006 0.000 0.973 329 L CB -0.037 42.035 42.059 0.022 0.000 1.255 329 L HN 0.338 nan 8.230 nan 0.000 0.498 330 A N -0.146 122.678 122.820 0.007 0.000 2.498 330 A HA 0.423 4.744 4.320 0.000 0.000 0.239 330 A C 1.534 179.127 177.584 0.015 0.000 1.068 330 A CA 0.700 52.744 52.037 0.012 0.000 0.766 330 A CB -0.031 18.973 19.000 0.007 0.000 1.003 330 A HN 0.594 nan 8.150 nan 0.000 0.497 331 G N 0.482 109.293 108.800 0.018 0.000 2.220 331 G HA2 -0.215 3.746 3.960 0.000 0.000 0.269 331 G HA3 -0.215 3.746 3.960 0.000 0.000 0.269 331 G C 0.289 175.199 174.900 0.017 0.000 0.977 331 G CA 0.439 45.549 45.100 0.017 0.000 0.634 331 G HN 1.495 nan 8.290 nan 0.000 0.539 332 V N 3.724 123.651 119.914 0.021 0.000 2.406 332 V HA 0.453 4.573 4.120 0.000 0.000 0.272 332 V C -0.747 175.368 176.094 0.035 0.000 1.043 332 V CA -1.221 61.090 62.300 0.019 0.000 0.915 332 V CB 1.224 33.060 31.823 0.021 0.000 0.988 332 V HN 0.314 nan 8.190 nan 0.000 0.466 333 P HA 0.210 nan 4.420 nan 0.000 0.272 333 P C 0.295 177.636 177.300 0.069 0.000 1.230 333 P CA -0.490 62.641 63.100 0.051 0.000 0.788 333 P CB 1.481 33.208 31.700 0.045 0.000 0.949 334 K N 0.652 121.114 120.400 0.103 0.000 2.057 334 K HA 0.034 4.354 4.320 0.000 0.000 0.206 334 K C 0.315 176.987 176.600 0.120 0.000 1.050 334 K CA 1.241 57.622 56.287 0.157 0.000 0.935 334 K CB -0.228 32.395 32.500 0.205 0.000 0.715 334 K HN 0.308 nan 8.250 nan 0.000 0.439 335 V N 0.472 120.431 119.914 0.074 0.000 2.638 335 V HA 0.443 4.564 4.120 0.000 0.000 0.306 335 V C -1.101 175.016 176.094 0.038 0.000 1.052 335 V CA -0.982 61.316 62.300 -0.004 0.000 0.885 335 V CB 1.835 33.680 31.823 0.037 0.000 0.999 335 V HN 0.095 nan 8.190 nan 0.000 0.424 336 R N 4.152 124.667 120.500 0.025 0.000 2.532 336 R HA 0.798 5.139 4.340 0.000 0.000 0.297 336 R C -1.881 174.567 176.300 0.247 0.000 0.984 336 R CA -0.430 55.747 56.100 0.128 0.000 0.884 336 R CB 1.345 31.681 30.300 0.059 0.000 1.182 336 R HN 0.729 nan 8.270 nan 0.000 0.442 337 L N 4.408 125.831 121.223 0.334 0.000 2.386 337 L HA 0.509 4.849 4.340 0.000 0.000 0.271 337 L C -0.819 176.148 176.870 0.161 0.000 0.993 337 L CA -1.006 54.000 54.840 0.276 0.000 0.819 337 L CB 1.939 44.168 42.059 0.282 0.000 1.294 337 L HN 0.558 nan 8.230 nan 0.000 0.414 338 F N 3.234 122.930 119.950 -0.424 0.000 2.413 338 F HA 0.357 4.884 4.527 0.000 0.000 0.359 338 F C -0.024 175.622 175.800 -0.255 0.000 1.122 338 F CA -0.358 57.155 58.000 -0.812 0.000 1.160 338 F CB 0.929 39.019 39.000 -1.516 0.000 1.146 338 F HN 0.053 nan 8.300 nan 0.000 0.514 339 V N 8.327 127.854 119.914 -0.645 0.000 2.368 339 V HA 0.157 4.277 4.120 0.000 0.000 0.266 339 V C 0.543 176.285 176.094 -0.586 0.000 1.045 339 V CA -0.455 61.577 62.300 -0.448 0.000 0.899 339 V CB 0.655 32.285 31.823 -0.323 0.000 1.006 339 V HN 0.766 nan 8.190 nan 0.000 0.470 340 M N 3.367 122.741 119.600 -0.378 0.000 2.202 340 M HA 0.517 4.998 4.480 0.000 0.000 0.316 340 M C 1.518 177.694 176.300 -0.208 0.000 1.138 340 M CA 1.188 56.376 55.300 -0.186 0.000 1.151 340 M CB 0.719 33.279 32.600 -0.065 0.000 1.422 340 M HN 0.870 nan 8.290 nan 0.000 0.471 341 G N 1.054 109.805 108.800 -0.081 0.000 4.677 341 G HA2 -0.301 3.659 3.960 0.000 0.000 0.215 341 G HA3 -0.301 3.659 3.960 0.000 0.000 0.215 341 G C 0.630 175.439 174.900 -0.151 0.000 1.506 341 G CA 0.442 45.428 45.100 -0.189 0.000 1.016 341 G HN 0.858 nan 8.290 nan 0.000 0.653 342 I N -1.163 119.294 120.570 -0.188 0.000 2.830 342 I HA 0.254 4.424 4.170 0.000 0.000 0.263 342 I C 0.310 176.327 176.117 -0.167 0.000 1.230 342 I CA 1.080 62.286 61.300 -0.157 0.000 1.480 342 I CB -0.458 37.443 38.000 -0.166 0.000 1.095 342 I HN 0.179 nan 8.210 nan 0.000 0.455 343 D N 2.886 123.142 120.400 -0.239 0.000 2.803 343 D HA -0.180 4.461 4.640 0.000 0.000 0.233 343 D C -0.316 175.611 176.300 -0.622 0.000 1.182 343 D CA 1.061 54.868 54.000 -0.323 0.000 0.726 343 D CB -0.902 40.036 40.800 0.230 0.000 0.987 343 D HN 0.726 nan 8.370 nan 0.000 0.412 344 E N -0.889 118.695 120.200 -1.028 0.000 2.331 344 E HA 0.370 4.720 4.350 0.000 0.000 0.275 344 E C -0.401 175.790 176.600 -0.682 0.000 0.895 344 E CA -0.872 55.158 56.400 -0.616 0.000 0.753 344 E CB 1.078 30.635 29.700 -0.239 0.000 1.216 344 E HN 0.085 nan 8.360 nan 0.000 0.434 345 W N 2.248 123.443 121.300 -0.175 0.000 2.210 345 W HA 0.232 4.892 4.660 0.001 0.000 0.330 345 W C 0.652 177.142 176.519 -0.048 0.000 1.334 345 W CA 0.154 57.485 57.345 -0.022 0.000 1.227 345 W CB 0.583 30.106 29.460 0.105 0.000 1.178 345 W HN 0.189 nan 8.180 nan 0.000 0.560 346 R N 2.190 122.834 120.500 0.240 0.000 2.604 346 R HA 0.199 4.539 4.340 0.000 0.000 0.281 346 R C -1.326 175.067 176.300 0.156 0.000 1.020 346 R CA -0.808 55.373 56.100 0.136 0.000 0.899 346 R CB 1.243 31.569 30.300 0.044 0.000 1.205 346 R HN 0.318 nan 8.270 nan 0.000 0.450 347 D N 2.387 122.854 120.400 0.113 0.000 2.304 347 D HA 0.262 4.902 4.640 0.000 0.000 0.247 347 D C -0.313 176.043 176.300 0.093 0.000 1.089 347 D CA 0.259 54.318 54.000 0.097 0.000 0.910 347 D CB 1.191 42.034 40.800 0.072 0.000 1.199 347 D HN 0.342 nan 8.370 nan 0.000 0.426 348 E N -0.520 119.741 120.200 0.102 0.000 2.429 348 E HA 0.235 4.586 4.350 0.000 0.000 0.276 348 E C 0.342 177.011 176.600 0.114 0.000 0.953 348 E CA -0.498 55.967 56.400 0.108 0.000 0.787 348 E CB 1.446 31.232 29.700 0.143 0.000 1.307 348 E HN 0.409 nan 8.360 nan 0.000 0.458 349 T N -3.124 111.498 114.554 0.113 0.000 3.057 349 T HA 0.148 4.499 4.350 0.000 0.000 0.254 349 T C 0.219 175.024 174.700 0.175 0.000 1.094 349 T CA 0.419 62.593 62.100 0.123 0.000 1.088 349 T CB 0.299 69.222 68.868 0.093 0.000 0.934 349 T HN 0.263 nan 8.240 nan 0.000 0.497 350 D N -1.205 119.316 120.400 0.201 0.000 2.653 350 D HA 0.325 4.965 4.640 0.000 0.000 0.258 350 D C -2.227 174.280 176.300 0.346 0.000 1.252 350 D CA -0.691 53.486 54.000 0.295 0.000 0.777 350 D CB 1.691 42.618 40.800 0.212 0.000 1.339 350 D HN 0.166 nan 8.370 nan 0.000 0.422 351 W N 3.098 124.577 121.300 0.298 0.000 2.830 351 W HA 0.445 5.105 4.660 0.000 0.000 0.335 351 W C -2.861 173.845 176.519 0.311 0.000 1.043 351 W CA -1.827 55.647 57.345 0.215 0.000 1.239 351 W CB 1.557 31.026 29.460 0.014 0.000 1.378 351 W HN 0.177 nan 8.180 nan 0.000 0.456 352 P HA -0.047 nan 4.420 nan 0.000 0.267 352 P C -0.111 177.010 177.300 -0.300 0.000 1.201 352 P CA 0.038 62.677 63.100 -0.768 0.000 0.775 352 P CB 0.639 32.114 31.700 -0.376 0.000 0.854 353 L N 5.145 126.175 121.223 -0.321 0.000 2.514 353 L HA 0.026 4.366 4.340 0.000 0.000 0.280 353 L C -1.201 175.617 176.870 -0.087 0.000 1.223 353 L CA -0.392 54.381 54.840 -0.112 0.000 0.864 353 L CB -0.543 41.451 42.059 -0.109 0.000 1.118 353 L HN 0.431 nan 8.230 nan 0.000 0.494 354 P HA -0.054 nan 4.420 nan 0.000 0.223 354 P C -0.075 177.211 177.300 -0.024 0.000 1.151 354 P CA 0.955 64.052 63.100 -0.005 0.000 0.787 354 P CB 0.282 31.994 31.700 0.021 0.000 0.788 355 D N -1.301 119.070 120.400 -0.048 0.000 2.738 355 D HA 0.083 4.723 4.640 0.000 0.000 0.246 355 D C -0.181 176.056 176.300 -0.106 0.000 1.270 355 D CA 0.215 54.182 54.000 -0.054 0.000 0.833 355 D CB -0.445 40.333 40.800 -0.038 0.000 1.040 355 D HN 0.022 nan 8.370 nan 0.000 0.487 356 T N 1.053 115.507 114.554 -0.167 0.000 2.779 356 T HA 0.430 4.780 4.350 0.000 0.000 0.296 356 T C 0.441 174.938 174.700 -0.338 0.000 0.938 356 T CA -0.371 61.524 62.100 -0.342 0.000 1.119 356 T CB 1.264 69.778 68.868 -0.591 0.000 0.891 356 T HN 0.088 nan 8.240 nan 0.000 0.526 357 A N 4.215 126.864 122.820 -0.284 0.000 2.444 357 A HA 0.464 4.784 4.320 0.000 0.000 0.332 357 A C -0.524 176.955 177.584 -0.175 0.000 1.430 357 A CA -0.654 51.291 52.037 -0.153 0.000 0.975 357 A CB -0.309 18.652 19.000 -0.065 0.000 1.147 357 A HN 0.846 nan 8.150 nan 0.000 0.524 358 Y N 2.091 122.389 120.300 -0.005 0.000 2.680 358 Y HA 0.188 4.738 4.550 0.000 0.000 0.356 358 Y C 0.803 176.719 175.900 0.027 0.000 1.122 358 Y CA 0.688 58.792 58.100 0.006 0.000 1.509 358 Y CB 0.177 38.636 38.460 -0.001 0.000 1.245 358 Y HN 0.522 nan 8.280 nan 0.000 0.513 359 T N 6.475 121.120 114.554 0.152 0.000 2.758 359 T HA 0.297 4.647 4.350 0.000 0.000 0.285 359 T C -2.616 172.183 174.700 0.166 0.000 0.981 359 T CA -1.969 60.211 62.100 0.133 0.000 0.965 359 T CB 1.187 70.154 68.868 0.166 0.000 0.927 359 T HN 0.177 nan 8.240 nan 0.000 0.448 360 P HA 0.303 nan 4.420 nan 0.000 0.271 360 P C -0.974 176.143 177.300 -0.306 0.000 1.220 360 P CA -0.304 62.655 63.100 -0.234 0.000 0.768 360 P CB 0.156 31.425 31.700 -0.718 0.000 0.848 361 F N 2.992 122.731 119.950 -0.351 0.000 2.427 361 F HA 0.362 4.889 4.527 0.000 0.000 0.348 361 F C 0.063 175.720 175.800 -0.237 0.000 1.125 361 F CA -0.443 57.416 58.000 -0.234 0.000 0.989 361 F CB 0.747 39.679 39.000 -0.114 0.000 1.165 361 F HN 0.248 nan 8.300 nan 0.000 0.442 362 Y N 3.381 123.758 120.300 0.129 0.000 2.299 362 Y HA 0.456 5.007 4.550 0.000 0.000 0.326 362 Y C 0.301 176.236 175.900 0.058 0.000 1.164 362 Y CA -0.833 57.325 58.100 0.097 0.000 1.234 362 Y CB 0.701 39.176 38.460 0.025 0.000 1.219 362 Y HN 0.286 nan 8.280 nan 0.000 0.497 363 L N 2.908 124.214 121.223 0.137 0.000 2.349 363 L HA 0.614 4.955 4.340 0.000 0.000 0.275 363 L C 0.700 177.629 176.870 0.098 0.000 1.115 363 L CA -0.029 54.780 54.840 -0.050 0.000 0.820 363 L CB 0.284 42.084 42.059 -0.432 0.000 1.135 363 L HN 0.887 nan 8.230 nan 0.000 0.445 364 G N 0.660 109.570 108.800 0.183 0.000 2.753 364 G HA2 0.747 4.707 3.960 0.000 0.000 0.303 364 G HA3 0.747 4.707 3.960 0.000 0.000 0.303 364 G C -0.663 174.364 174.900 0.212 0.000 1.242 364 G CA -0.252 44.952 45.100 0.172 0.000 0.810 364 G HN 0.972 nan 8.290 nan 0.000 0.515 365 G N -1.547 107.333 108.800 0.134 0.000 2.525 365 G HA2 0.439 4.399 3.960 0.000 0.000 0.685 365 G HA3 0.439 4.399 3.960 0.000 0.000 0.685 365 G C -0.450 174.495 174.900 0.075 0.000 1.285 365 G CA 0.054 45.216 45.100 0.104 0.000 0.849 365 G HN 1.396 nan 8.290 nan 0.000 0.653 366 S N 0.754 116.484 115.700 0.050 0.000 2.537 366 S HA 0.806 5.276 4.470 0.000 0.000 0.275 366 S C 1.239 175.858 174.600 0.032 0.000 1.272 366 S CA 1.235 59.458 58.200 0.037 0.000 1.050 366 S CB 1.079 64.294 63.200 0.026 0.000 0.961 366 S HN 2.608 nan 8.310 nan 0.000 0.496 367 G N 1.888 110.707 108.800 0.032 0.000 2.509 367 G HA2 0.089 4.049 3.960 0.000 0.000 0.256 367 G HA3 0.089 4.049 3.960 0.000 0.000 0.256 367 G C -0.220 174.698 174.900 0.031 0.000 1.152 367 G CA -0.272 44.843 45.100 0.026 0.000 0.951 367 G HN 1.429 nan 8.290 nan 0.000 0.559 368 A N -0.417 122.413 122.820 0.017 0.000 2.337 368 A HA 0.942 5.263 4.320 0.000 0.000 0.329 368 A C 0.923 178.491 177.584 -0.027 0.000 1.146 368 A CA 0.605 52.650 52.037 0.014 0.000 0.800 368 A CB 1.664 20.675 19.000 0.018 0.000 1.220 368 A HN 2.398 nan 8.150 nan 0.000 0.472 369 A N 2.294 125.080 122.820 -0.057 0.000 2.238 369 A HA 0.178 4.498 4.320 0.000 0.000 0.210 369 A C 0.566 178.019 177.584 -0.218 0.000 1.179 369 A CA -0.074 51.828 52.037 -0.225 0.000 0.827 369 A CB -0.630 18.067 19.000 -0.505 0.000 0.856 369 A HN 0.834 nan 8.150 nan 0.000 0.488 370 N N 1.942 120.586 118.700 -0.093 0.000 2.356 370 N HA 0.317 5.057 4.740 0.000 0.000 0.252 370 N C 0.396 175.854 175.510 -0.086 0.000 1.241 370 N CA 1.547 54.557 53.050 -0.067 0.000 0.861 370 N CB -0.122 38.366 38.487 0.001 0.000 1.075 370 N HN 0.620 nan 8.380 nan 0.000 0.461 371 T N -1.730 112.770 114.554 -0.090 0.000 0.541 371 T HA -0.232 4.118 4.350 0.000 0.000 0.774 371 T C 0.801 175.408 174.700 -0.155 0.000 0.992 371 T CA 0.341 62.392 62.100 -0.082 0.000 4.077 371 T CB -1.302 67.542 68.868 -0.040 0.000 2.303 371 T HN 0.806 nan 8.240 nan 0.000 0.398 372 S N -0.771 114.812 115.700 -0.194 0.000 2.522 372 S HA 0.130 4.600 4.470 0.000 0.000 0.227 372 S C 1.705 176.204 174.600 -0.169 0.000 0.986 372 S CA 1.113 59.125 58.200 -0.314 0.000 0.929 372 S CB -0.559 62.295 63.200 -0.577 0.000 0.769 372 S HN 1.982 nan 8.310 nan 0.000 0.529 373 T N -1.436 113.058 114.554 -0.101 0.000 3.176 373 T HA 0.505 4.855 4.350 0.000 0.000 0.263 373 T C 0.916 175.581 174.700 -0.057 0.000 1.021 373 T CA -0.041 62.023 62.100 -0.060 0.000 0.905 373 T CB 0.094 68.944 68.868 -0.030 0.000 1.057 373 T HN 0.358 nan 8.240 nan 0.000 0.558 374 G N 0.433 109.183 108.800 -0.084 0.000 2.553 374 G HA2 0.472 4.432 3.960 0.000 0.000 0.278 374 G HA3 0.472 4.432 3.960 0.000 0.000 0.278 374 G C 0.766 175.624 174.900 -0.071 0.000 1.349 374 G CA -0.399 44.654 45.100 -0.078 0.000 1.037 374 G HN 0.397 nan 8.290 nan 0.000 0.508 375 G N -1.102 107.663 108.800 -0.058 0.000 3.605 375 G HA2 0.461 4.422 3.960 0.000 0.000 0.277 375 G HA3 0.461 4.422 3.960 0.000 0.000 0.277 375 G C 0.674 175.564 174.900 -0.016 0.000 1.093 375 G CA 0.408 45.492 45.100 -0.026 0.000 0.821 375 G HN 0.835 nan 8.290 nan 0.000 0.532 376 G N 0.891 109.636 108.800 -0.091 0.000 2.365 376 G HA2 0.435 4.395 3.960 0.000 0.000 0.249 376 G HA3 0.435 4.395 3.960 0.000 0.000 0.249 376 G C 0.311 175.274 174.900 0.106 0.000 1.288 376 G CA 0.589 45.653 45.100 -0.060 0.000 0.887 376 G HN 0.437 nan 8.290 nan 0.000 0.524 377 T N -0.241 114.465 114.554 0.254 0.000 2.924 377 T HA 0.721 5.071 4.350 0.000 0.000 0.291 377 T C -0.362 174.493 174.700 0.259 0.000 1.045 377 T CA -0.969 61.255 62.100 0.207 0.000 1.015 377 T CB 1.818 70.769 68.868 0.138 0.000 1.103 377 T HN 0.303 nan 8.240 nan 0.000 0.496 378 L N 1.643 122.991 121.223 0.208 0.000 2.365 378 L HA 0.762 5.102 4.340 0.000 0.000 0.273 378 L C -0.235 176.762 176.870 0.211 0.000 1.000 378 L CA -0.767 54.209 54.840 0.226 0.000 0.819 378 L CB 2.063 44.265 42.059 0.239 0.000 1.284 378 L HN 0.922 nan 8.230 nan 0.000 0.418 379 S N -0.475 115.331 115.700 0.176 0.000 2.537 379 S HA 0.270 4.740 4.470 0.000 0.000 0.270 379 S C 0.596 175.136 174.600 -0.100 0.000 1.142 379 S CA -0.037 58.188 58.200 0.042 0.000 0.870 379 S CB 1.774 65.009 63.200 0.057 0.000 1.112 379 S HN 0.766 nan 8.310 nan 0.000 0.466 380 T N 0.693 115.046 114.554 -0.336 0.000 3.072 380 T HA 0.152 4.502 4.350 0.000 0.000 0.266 380 T C 0.616 175.313 174.700 -0.004 0.000 1.127 380 T CA 0.471 62.344 62.100 -0.378 0.000 1.107 380 T CB -0.266 68.312 68.868 -0.483 0.000 0.910 380 T HN 0.363 nan 8.240 nan 0.000 0.513 381 S N 0.973 116.679 115.700 0.010 0.000 2.541 381 S HA 0.566 5.037 4.470 0.000 0.000 0.283 381 S C 0.205 174.700 174.600 -0.175 0.000 1.196 381 S CA -0.862 57.304 58.200 -0.057 0.000 1.062 381 S CB 0.913 64.068 63.200 -0.075 0.000 1.009 381 S HN 0.374 nan 8.310 nan 0.000 0.502 382 I N 2.264 122.526 120.570 -0.513 0.000 2.815 382 I HA -0.031 4.139 4.170 0.000 0.000 0.291 382 I C 1.086 177.014 176.117 -0.315 0.000 1.209 382 I CA 0.183 61.033 61.300 -0.749 0.000 1.431 382 I CB 0.446 38.050 38.000 -0.660 0.000 1.351 382 I HN 0.524 nan 8.210 nan 0.000 0.585 383 S N 4.329 119.898 115.700 -0.219 0.000 2.560 383 S HA 0.134 4.604 4.470 0.000 0.000 0.284 383 S C 1.330 175.877 174.600 -0.089 0.000 1.327 383 S CA 0.027 58.178 58.200 -0.083 0.000 1.055 383 S CB 1.063 64.256 63.200 -0.012 0.000 0.868 383 S HN 0.808 nan 8.310 nan 0.000 0.506 384 G N 2.849 111.617 108.800 -0.054 0.000 2.421 384 G HA2 0.020 3.980 3.960 0.000 0.000 0.216 384 G HA3 0.020 3.980 3.960 0.000 0.000 0.216 384 G C 0.593 175.468 174.900 -0.042 0.000 1.171 384 G CA 1.157 46.227 45.100 -0.050 0.000 0.775 384 G HN 0.958 nan 8.290 nan 0.000 0.543 385 T N -1.512 113.030 114.554 -0.019 0.000 2.841 385 T HA 0.513 4.864 4.350 0.000 0.000 0.283 385 T C -0.751 173.955 174.700 0.010 0.000 1.000 385 T CA -0.798 61.297 62.100 -0.007 0.000 0.977 385 T CB 2.541 71.412 68.868 0.004 0.000 0.979 385 T HN -0.072 nan 8.240 nan 0.000 0.446 386 E N 2.250 122.459 120.200 0.014 0.000 2.271 386 E HA 0.243 4.593 4.350 0.000 0.000 0.255 386 E C -0.091 176.548 176.600 0.065 0.000 1.177 386 E CA 0.256 56.686 56.400 0.050 0.000 0.946 386 E CB 0.511 30.245 29.700 0.057 0.000 1.009 386 E HN 0.645 nan 8.360 nan 0.000 0.451 387 S N 1.245 116.990 115.700 0.075 0.000 2.751 387 S HA 0.871 5.341 4.470 0.000 0.000 0.310 387 S C -1.296 173.347 174.600 0.072 0.000 1.128 387 S CA -0.301 57.941 58.200 0.071 0.000 0.931 387 S CB 1.515 64.756 63.200 0.067 0.000 1.177 387 S HN 0.447 nan 8.310 nan 0.000 0.530 388 A N 1.620 124.463 122.820 0.038 0.000 2.517 388 A HA 0.599 4.920 4.320 0.000 0.000 0.297 388 A C -1.875 175.709 177.584 0.001 0.000 1.050 388 A CA -0.747 51.267 52.037 -0.039 0.000 0.694 388 A CB 1.136 20.042 19.000 -0.156 0.000 1.277 388 A HN 0.731 nan 8.150 nan 0.000 0.400 389 D N 1.661 122.083 120.400 0.037 0.000 2.163 389 D HA 0.616 5.256 4.640 0.000 0.000 0.248 389 D C -0.529 175.826 176.300 0.092 0.000 1.035 389 D CA 0.249 54.310 54.000 0.103 0.000 0.872 389 D CB 2.022 42.941 40.800 0.198 0.000 1.183 389 D HN 0.422 nan 8.370 nan 0.000 0.445 390 T N 1.343 115.963 114.554 0.109 0.000 2.893 390 T HA 0.574 4.924 4.350 0.000 0.000 0.293 390 T C -0.829 173.975 174.700 0.173 0.000 1.027 390 T CA -0.728 61.403 62.100 0.051 0.000 0.988 390 T CB 1.163 70.034 68.868 0.005 0.000 1.043 390 T HN 0.399 nan 8.240 nan 0.000 0.461 391 Y N 0.278 120.628 120.300 0.082 0.000 2.638 391 Y HA 0.807 5.357 4.550 0.000 0.000 0.335 391 Y C -1.846 174.107 175.900 0.089 0.000 1.155 391 Y CA -1.801 56.348 58.100 0.080 0.000 1.046 391 Y CB 0.901 39.416 38.460 0.090 0.000 1.303 391 Y HN 0.550 nan 8.280 nan 0.000 0.460 392 L N 3.170 124.544 121.223 0.251 0.000 2.272 392 L HA 0.457 4.797 4.340 0.000 0.000 0.289 392 L C -1.315 175.745 176.870 0.317 0.000 1.032 392 L CA -0.653 54.287 54.840 0.166 0.000 0.810 392 L CB 0.603 42.719 42.059 0.094 0.000 1.205 392 L HN 0.690 nan 8.230 nan 0.000 0.422 393 Y N 4.811 125.190 120.300 0.133 0.000 2.353 393 Y HA 0.489 5.039 4.550 0.001 0.000 0.340 393 Y C -1.030 174.892 175.900 0.037 0.000 0.972 393 Y CA -1.181 56.995 58.100 0.126 0.000 1.157 393 Y CB 0.891 39.425 38.460 0.122 0.000 1.157 393 Y HN 0.701 nan 8.280 nan 0.000 0.495 394 D N 8.785 129.004 120.400 -0.302 0.000 2.453 394 D HA 0.369 5.009 4.640 0.000 0.000 0.238 394 D C -2.227 173.793 176.300 -0.467 0.000 1.088 394 D CA -2.699 51.058 54.000 -0.406 0.000 0.854 394 D CB 2.190 42.904 40.800 -0.144 0.000 1.076 394 D HN 0.310 nan 8.370 nan 0.000 0.533 395 P HA -0.163 nan 4.420 nan 0.000 0.217 395 P C 0.939 178.120 177.300 -0.197 0.000 1.148 395 P CA 1.414 64.308 63.100 -0.343 0.000 0.834 395 P CB 0.249 31.778 31.700 -0.284 0.000 0.783 396 A N -1.348 121.365 122.820 -0.179 0.000 2.121 396 A HA -0.106 4.215 4.320 0.000 0.000 0.218 396 A C 1.131 178.654 177.584 -0.102 0.000 1.154 396 A CA 1.243 53.200 52.037 -0.133 0.000 0.679 396 A CB -0.670 18.269 19.000 -0.101 0.000 0.795 396 A HN 0.100 nan 8.150 nan 0.000 0.458 397 D N -0.595 119.762 120.400 -0.072 0.000 2.468 397 D HA 0.284 4.925 4.640 0.000 0.000 0.272 397 D C -2.947 173.387 176.300 0.057 0.000 1.221 397 D CA -1.967 52.025 54.000 -0.013 0.000 0.860 397 D CB 1.264 42.068 40.800 0.005 0.000 1.190 397 D HN 0.124 nan 8.370 nan 0.000 0.509 398 P HA 0.168 nan 4.420 nan 0.000 0.279 398 P C -0.075 177.309 177.300 0.139 0.000 1.252 398 P CA -0.583 62.609 63.100 0.153 0.000 0.811 398 P CB 1.272 33.013 31.700 0.068 0.000 1.035 399 V N 3.869 123.861 119.914 0.130 0.000 2.485 399 V HA 0.071 4.192 4.120 0.000 0.000 0.287 399 V C -1.645 174.538 176.094 0.149 0.000 1.022 399 V CA -0.938 61.425 62.300 0.105 0.000 1.067 399 V CB -0.200 31.659 31.823 0.060 0.000 0.967 399 V HN 0.603 nan 8.190 nan 0.000 0.479 400 P HA 0.136 nan 4.420 nan 0.000 0.271 400 P C -0.270 177.106 177.300 0.126 0.000 1.218 400 P CA -0.153 63.046 63.100 0.165 0.000 0.780 400 P CB 0.557 32.342 31.700 0.141 0.000 0.901 401 S N 1.996 117.765 115.700 0.116 0.000 2.549 401 S HA 0.323 4.793 4.470 0.000 0.000 0.279 401 S C 0.181 174.837 174.600 0.094 0.000 1.321 401 S CA -0.238 58.016 58.200 0.089 0.000 1.054 401 S CB -0.301 62.930 63.200 0.052 0.000 0.899 401 S HN 0.295 nan 8.310 nan 0.000 0.497 402 L N 3.092 124.349 121.223 0.058 0.000 2.457 402 L HA 0.531 4.871 4.340 0.000 0.000 0.266 402 L C 0.836 177.714 176.870 0.013 0.000 0.979 402 L CA -0.413 54.440 54.840 0.022 0.000 0.857 402 L CB 0.936 42.998 42.059 0.005 0.000 1.213 402 L HN 0.981 nan 8.230 nan 0.000 0.418 403 G N 2.460 111.253 108.800 -0.012 0.000 2.550 403 G HA2 0.041 4.001 3.960 0.000 0.000 0.277 403 G HA3 0.041 4.001 3.960 0.000 0.000 0.277 403 G C 0.531 175.465 174.900 0.056 0.000 1.190 403 G CA -0.029 45.060 45.100 -0.017 0.000 0.971 403 G HN 1.450 nan 8.290 nan 0.000 0.559 404 G N -2.340 106.552 108.800 0.153 0.000 2.566 404 G HA2 0.150 4.110 3.960 0.000 0.000 0.280 404 G HA3 0.150 4.110 3.960 0.000 0.000 0.280 404 G C 1.185 176.230 174.900 0.242 0.000 1.225 404 G CA 2.441 47.694 45.100 0.255 0.000 0.966 404 G HN 2.682 nan 8.290 nan 0.000 0.560 405 T N -0.730 113.900 114.554 0.128 0.000 3.251 405 T HA 0.606 4.957 4.350 0.000 0.000 0.259 405 T C 1.043 175.732 174.700 -0.019 0.000 0.998 405 T CA 0.173 62.321 62.100 0.079 0.000 0.905 405 T CB -0.258 68.629 68.868 0.032 0.000 1.067 405 T HN 0.645 nan 8.240 nan 0.000 0.569 406 L N 1.265 122.479 121.223 -0.014 0.000 2.559 406 L HA 0.109 4.449 4.340 0.000 0.000 0.282 406 L C 1.333 178.175 176.870 -0.047 0.000 1.232 406 L CA 0.027 54.844 54.840 -0.038 0.000 0.885 406 L CB 0.506 42.562 42.059 -0.005 0.000 1.131 406 L HN 0.330 nan 8.230 nan 0.000 0.498 407 L N 2.144 123.330 121.223 -0.062 0.000 2.347 407 L HA 0.071 4.412 4.340 0.000 0.000 0.196 407 L C 1.268 177.942 176.870 -0.327 0.000 1.072 407 L CA 0.728 55.456 54.840 -0.186 0.000 0.817 407 L CB 0.029 41.983 42.059 -0.175 0.000 1.029 407 L HN 0.524 nan 8.230 nan 0.000 0.478 408 F N -2.288 117.706 119.950 0.073 0.000 2.619 408 F HA 0.135 4.662 4.527 0.000 0.000 0.281 408 F C 1.002 176.849 175.800 0.079 0.000 1.065 408 F CA -0.461 57.595 58.000 0.094 0.000 1.304 408 F CB 0.106 39.184 39.000 0.129 0.000 1.059 408 F HN -0.041 nan 8.300 nan 0.000 0.648 409 H N 2.060 121.213 119.070 0.139 0.000 2.934 409 H HA 0.194 4.750 4.556 0.000 0.000 0.273 409 H C 0.094 175.425 175.328 0.005 0.000 1.121 409 H CA -0.582 55.492 56.048 0.044 0.000 1.451 409 H CB -0.457 29.290 29.762 -0.025 0.000 1.469 409 H HN 0.036 nan 8.280 nan 0.000 0.476 410 N N 3.267 121.747 118.700 -0.367 0.000 2.699 410 N HA -0.163 4.577 4.740 0.000 0.000 0.256 410 N C 0.875 176.292 175.510 -0.155 0.000 0.993 410 N CA 1.101 53.973 53.050 -0.297 0.000 0.759 410 N CB -1.111 37.113 38.487 -0.438 0.000 0.906 410 N HN 0.909 nan 8.380 nan 0.000 0.541 411 G N -0.152 108.593 108.800 -0.091 0.000 3.181 411 G HA2 -0.052 3.908 3.960 0.000 0.000 0.219 411 G HA3 -0.052 3.908 3.960 0.000 0.000 0.219 411 G C 0.599 175.471 174.900 -0.046 0.000 1.182 411 G CA 0.289 45.351 45.100 -0.063 0.000 0.791 411 G HN 0.461 nan 8.290 nan 0.000 0.537 412 D N -0.900 119.465 120.400 -0.058 0.000 2.559 412 D HA 0.095 4.735 4.640 0.000 0.000 0.234 412 D C 0.343 176.608 176.300 -0.058 0.000 1.226 412 D CA -0.758 53.217 54.000 -0.042 0.000 0.830 412 D CB 0.068 40.843 40.800 -0.041 0.000 1.028 412 D HN 0.102 nan 8.370 nan 0.000 0.492 413 N N -0.116 118.533 118.700 -0.085 0.000 2.636 413 N HA 0.219 4.959 4.740 0.000 0.000 0.287 413 N C 1.309 176.704 175.510 -0.192 0.000 1.817 413 N CA 0.049 53.024 53.050 -0.126 0.000 0.842 413 N CB 0.595 39.012 38.487 -0.117 0.000 1.353 413 N HN 0.029 nan 8.380 nan 0.000 0.500 414 G N 1.294 109.930 108.800 -0.274 0.000 2.553 414 G HA2 -0.166 3.795 3.960 0.000 0.000 0.218 414 G HA3 -0.166 3.795 3.960 0.000 0.000 0.218 414 G C -1.317 173.097 174.900 -0.809 0.000 1.195 414 G CA 0.602 45.379 45.100 -0.538 0.000 0.779 414 G HN 0.437 nan 8.290 nan 0.000 0.577 415 P HA 0.370 nan 4.420 nan 0.000 0.226 415 P C -0.216 176.957 177.300 -0.212 0.000 1.783 415 P CA -0.110 62.735 63.100 -0.424 0.000 0.980 415 P CB -0.092 31.488 31.700 -0.201 0.000 1.967 416 A N 1.649 124.378 122.820 -0.153 0.000 2.401 416 A HA 0.181 4.501 4.320 0.000 0.000 0.259 416 A C 0.366 177.894 177.584 -0.092 0.000 1.103 416 A CA -0.303 51.664 52.037 -0.117 0.000 0.789 416 A CB -0.035 18.915 19.000 -0.085 0.000 1.035 416 A HN 0.214 nan 8.150 nan 0.000 0.491 417 D N 1.291 121.619 120.400 -0.122 0.000 2.417 417 D HA 0.074 4.714 4.640 0.000 0.000 0.250 417 D C 0.699 176.920 176.300 -0.130 0.000 1.166 417 D CA 0.228 54.153 54.000 -0.126 0.000 0.881 417 D CB 0.769 41.482 40.800 -0.144 0.000 1.164 417 D HN 0.410 nan 8.370 nan 0.000 0.467 418 Q N 3.372 123.074 119.800 -0.163 0.000 2.360 418 Q HA 0.073 4.413 4.340 0.000 0.000 0.202 418 Q C 1.607 177.274 176.000 -0.554 0.000 0.915 418 Q CA 0.096 55.748 55.803 -0.251 0.000 0.943 418 Q CB 0.160 28.810 28.738 -0.147 0.000 1.064 418 Q HN 0.549 nan 8.270 nan 0.000 0.511 419 R N 0.729 120.937 120.500 -0.486 0.000 2.117 419 R HA -0.146 4.194 4.340 0.000 0.000 0.243 419 R C -0.717 175.442 176.300 -0.236 0.000 1.143 419 R CA 1.316 57.146 56.100 -0.450 0.000 0.968 419 R CB -1.123 29.078 30.300 -0.164 0.000 0.863 419 R HN 0.198 nan 8.270 nan 0.000 0.444 420 P HA -0.149 nan 4.420 nan 0.000 0.222 420 P C 0.959 178.237 177.300 -0.037 0.000 1.142 420 P CA 1.297 64.356 63.100 -0.068 0.000 0.788 420 P CB -0.125 31.544 31.700 -0.051 0.000 0.767 421 I N -7.072 113.463 120.570 -0.059 0.000 4.082 421 I HA 0.191 4.361 4.170 0.000 0.000 0.337 421 I C 1.530 177.704 176.117 0.095 0.000 1.352 421 I CA 0.006 61.315 61.300 0.016 0.000 1.097 421 I CB -0.762 37.254 38.000 0.026 0.000 1.048 421 I HN -0.119 nan 8.210 nan 0.000 0.393 422 H N 2.343 121.416 119.070 0.005 0.000 2.561 422 H HA -0.091 4.465 4.556 0.000 0.000 0.278 422 H C 1.252 176.575 175.328 -0.008 0.000 1.014 422 H CA 1.015 57.062 56.048 -0.003 0.000 1.211 422 H CB 0.247 30.010 29.762 0.001 0.000 1.365 422 H HN 0.640 nan 8.280 nan 0.000 0.594 423 D N 0.485 120.955 120.400 0.117 0.000 2.327 423 D HA -0.063 4.578 4.640 0.000 0.000 0.205 423 D C 0.533 176.857 176.300 0.040 0.000 0.989 423 D CA -0.055 53.981 54.000 0.060 0.000 0.873 423 D CB 0.009 40.838 40.800 0.049 0.000 0.955 423 D HN 0.173 nan 8.370 nan 0.000 0.515 424 R N 1.466 121.991 120.500 0.042 0.000 2.458 424 R HA 0.019 4.360 4.340 0.000 0.000 0.303 424 R C 0.405 176.709 176.300 0.007 0.000 1.013 424 R CA 0.039 56.155 56.100 0.027 0.000 1.026 424 R CB 0.522 30.839 30.300 0.027 0.000 0.948 424 R HN 0.039 nan 8.270 nan 0.000 0.417 425 D N 1.907 122.319 120.400 0.019 0.000 2.311 425 D HA -0.169 4.472 4.640 0.000 0.000 0.212 425 D C 0.844 177.145 176.300 0.001 0.000 0.972 425 D CA 1.321 55.335 54.000 0.024 0.000 0.887 425 D CB 0.242 41.075 40.800 0.056 0.000 0.915 425 D HN 0.580 nan 8.370 nan 0.000 0.497 426 D N -0.721 119.651 120.400 -0.047 0.000 2.342 426 D HA -0.023 4.618 4.640 0.000 0.000 0.221 426 D C -0.184 175.854 176.300 -0.436 0.000 1.101 426 D CA -0.085 53.750 54.000 -0.275 0.000 0.837 426 D CB -0.023 40.740 40.800 -0.062 0.000 0.938 426 D HN 0.008 nan 8.370 nan 0.000 0.508 427 V N 1.901 121.689 119.914 -0.211 0.000 2.294 427 V HA 0.243 4.363 4.120 0.000 0.000 0.272 427 V C 0.221 176.230 176.094 -0.142 0.000 1.027 427 V CA -0.760 61.451 62.300 -0.149 0.000 0.823 427 V CB 1.234 33.043 31.823 -0.023 0.000 1.030 427 V HN 0.120 nan 8.190 nan 0.000 0.457 428 L N 4.346 125.478 121.223 -0.152 0.000 2.305 428 L HA 0.473 4.813 4.340 0.000 0.000 0.281 428 L C -0.251 176.483 176.870 -0.227 0.000 1.085 428 L CA -0.110 54.629 54.840 -0.167 0.000 0.813 428 L CB 1.028 43.087 42.059 -0.001 0.000 1.157 428 L HN 0.544 nan 8.230 nan 0.000 0.436 429 C N 2.968 122.004 119.300 -0.440 0.000 2.379 429 C HA 0.626 5.086 4.460 0.000 0.000 0.323 429 C C -0.607 174.055 174.990 -0.547 0.000 1.262 429 C CA -0.753 58.063 59.018 -0.337 0.000 1.581 429 C CB 0.564 28.148 27.740 -0.260 0.000 2.221 429 C HN 0.540 nan 8.230 nan 0.000 0.497 430 Y N 1.250 121.560 120.300 0.015 0.000 2.346 430 Y HA 0.551 5.102 4.550 0.000 0.000 0.332 430 Y C 0.343 176.261 175.900 0.029 0.000 0.985 430 Y CA -0.301 57.819 58.100 0.034 0.000 1.112 430 Y CB 1.615 40.111 38.460 0.059 0.000 1.170 430 Y HN 0.598 nan 8.280 nan 0.000 0.447 431 S N 0.939 116.726 115.700 0.146 0.000 2.568 431 S HA 0.602 5.072 4.470 0.000 0.000 0.293 431 S C -0.236 174.424 174.600 0.100 0.000 1.089 431 S CA -0.969 57.287 58.200 0.093 0.000 0.945 431 S CB 1.616 64.846 63.200 0.049 0.000 1.077 431 S HN 0.687 nan 8.310 nan 0.000 0.485 432 T N -0.172 114.427 114.554 0.076 0.000 2.816 432 T HA 0.465 4.815 4.350 0.000 0.000 0.282 432 T C 0.128 174.866 174.700 0.064 0.000 0.993 432 T CA -0.761 61.391 62.100 0.087 0.000 0.994 432 T CB 0.179 69.096 68.868 0.083 0.000 1.025 432 T HN 0.565 nan 8.240 nan 0.000 0.529 433 E N 0.003 120.239 120.200 0.060 0.000 2.447 433 E HA 0.232 4.582 4.350 0.000 0.000 0.259 433 E C -0.167 176.461 176.600 0.046 0.000 1.196 433 E CA -0.542 55.886 56.400 0.046 0.000 0.995 433 E CB 0.354 30.078 29.700 0.039 0.000 0.974 433 E HN 0.425 nan 8.360 nan 0.000 0.465 434 V N 2.711 122.650 119.914 0.042 0.000 2.599 434 V HA -0.050 4.070 4.120 0.000 0.000 0.300 434 V C 0.427 176.549 176.094 0.048 0.000 1.034 434 V CA 0.282 62.610 62.300 0.046 0.000 1.115 434 V CB -0.237 31.607 31.823 0.036 0.000 0.934 434 V HN 0.396 nan 8.190 nan 0.000 0.485 435 L N 5.016 126.275 121.223 0.061 0.000 2.380 435 L HA 0.264 4.604 4.340 0.000 0.000 0.273 435 L C 1.445 178.343 176.870 0.047 0.000 1.138 435 L CA 0.012 54.884 54.840 0.054 0.000 0.832 435 L CB 1.120 43.217 42.059 0.063 0.000 1.124 435 L HN 0.901 nan 8.230 nan 0.000 0.454 436 T N -3.547 111.028 114.554 0.034 0.000 3.001 436 T HA 0.183 4.533 4.350 0.000 0.000 0.251 436 T C 0.316 175.029 174.700 0.021 0.000 1.040 436 T CA -0.199 61.917 62.100 0.027 0.000 0.985 436 T CB 0.289 69.169 68.868 0.020 0.000 1.011 436 T HN 0.396 nan 8.240 nan 0.000 0.509 437 D N 2.307 122.720 120.400 0.022 0.000 2.575 437 D HA 0.441 5.081 4.640 0.000 0.000 0.236 437 D C -2.733 173.577 176.300 0.016 0.000 1.075 437 D CA -1.789 52.220 54.000 0.015 0.000 0.860 437 D CB 2.477 43.284 40.800 0.011 0.000 1.475 437 D HN 0.045 nan 8.370 nan 0.000 0.474 438 P HA 0.100 nan 4.420 nan 0.000 0.269 438 P C -0.611 176.698 177.300 0.015 0.000 1.209 438 P CA -0.295 62.804 63.100 -0.002 0.000 0.776 438 P CB 0.839 32.522 31.700 -0.028 0.000 0.876 439 V N 2.418 122.358 119.914 0.043 0.000 2.380 439 V HA 0.215 4.336 4.120 0.000 0.000 0.286 439 V C 0.324 176.469 176.094 0.084 0.000 1.015 439 V CA -0.590 61.742 62.300 0.052 0.000 0.834 439 V CB 1.131 32.969 31.823 0.025 0.000 1.009 439 V HN 0.575 nan 8.190 nan 0.000 0.428 440 E N 3.938 124.150 120.200 0.020 0.000 2.194 440 E HA 0.446 4.796 4.350 0.000 0.000 0.284 440 E C -1.188 175.404 176.600 -0.013 0.000 1.035 440 E CA -0.330 56.063 56.400 -0.011 0.000 0.836 440 E CB 1.471 31.139 29.700 -0.053 0.000 1.070 440 E HN 0.487 nan 8.360 nan 0.000 0.401 441 V N 5.163 125.081 119.914 0.006 0.000 2.293 441 V HA 0.273 4.393 4.120 0.000 0.000 0.275 441 V C -0.522 175.502 176.094 -0.116 0.000 1.021 441 V CA -0.419 61.863 62.300 -0.030 0.000 0.815 441 V CB 1.496 33.373 31.823 0.090 0.000 1.025 441 V HN 0.708 nan 8.190 nan 0.000 0.448 442 T N 3.793 118.268 114.554 -0.132 0.000 2.985 442 T HA 0.785 5.135 4.350 0.000 0.000 0.315 442 T C 0.215 174.830 174.700 -0.142 0.000 1.001 442 T CA 0.029 62.057 62.100 -0.120 0.000 1.016 442 T CB 1.405 70.234 68.868 -0.065 0.000 0.993 442 T HN 1.124 nan 8.240 nan 0.000 0.454 443 G N 2.041 110.810 108.800 -0.051 0.000 2.352 443 G HA2 0.387 4.348 3.960 0.000 0.000 0.283 443 G HA3 0.387 4.348 3.960 0.000 0.000 0.283 443 G C -0.437 174.550 174.900 0.145 0.000 1.308 443 G CA -0.311 44.655 45.100 -0.222 0.000 0.892 443 G HN 0.819 nan 8.290 nan 0.000 0.504 444 T N -1.786 112.861 114.554 0.156 0.000 2.913 444 T HA 0.610 4.961 4.350 0.000 0.000 0.297 444 T C -0.035 174.766 174.700 0.168 0.000 1.029 444 T CA -0.280 61.966 62.100 0.243 0.000 1.104 444 T CB 1.605 70.612 68.868 0.233 0.000 0.964 444 T HN 1.296 nan 8.240 nan 0.000 0.532 445 V N 2.333 122.323 119.914 0.127 0.000 2.789 445 V HA 0.803 4.923 4.120 0.000 0.000 0.311 445 V C -0.077 176.053 176.094 0.060 0.000 1.073 445 V CA -0.766 61.583 62.300 0.081 0.000 0.921 445 V CB 1.896 33.747 31.823 0.046 0.000 1.009 445 V HN 1.366 nan 8.190 nan 0.000 0.426 446 S N 2.469 118.191 115.700 0.037 0.000 2.607 446 S HA 0.963 5.434 4.470 0.000 0.000 0.273 446 S C -0.817 173.759 174.600 -0.039 0.000 1.148 446 S CA -0.290 57.910 58.200 -0.000 0.000 0.833 446 S CB 2.200 65.394 63.200 -0.011 0.000 1.130 446 S HN 1.617 nan 8.310 nan 0.000 0.470 447 A N 1.375 124.149 122.820 -0.077 0.000 2.374 447 A HA 0.887 5.207 4.320 0.000 0.000 0.317 447 A C -0.727 176.718 177.584 -0.233 0.000 1.094 447 A CA -0.943 51.005 52.037 -0.148 0.000 0.765 447 A CB 1.201 20.143 19.000 -0.097 0.000 1.268 447 A HN 0.669 nan 8.150 nan 0.000 0.438 448 R N 1.974 122.220 120.500 -0.424 0.000 2.337 448 R HA 0.508 4.848 4.340 0.000 0.000 0.319 448 R C -1.464 174.616 176.300 -0.368 0.000 0.954 448 R CA -0.217 55.619 56.100 -0.441 0.000 0.840 448 R CB 0.874 30.828 30.300 -0.577 0.000 1.164 448 R HN 0.676 nan 8.270 nan 0.000 0.472 449 L N 3.572 124.613 121.223 -0.302 0.000 2.346 449 L HA 0.549 4.890 4.340 0.000 0.000 0.276 449 L C -0.475 176.224 176.870 -0.285 0.000 1.006 449 L CA -0.934 53.783 54.840 -0.205 0.000 0.817 449 L CB 1.359 43.302 42.059 -0.193 0.000 1.272 449 L HN 0.326 nan 8.230 nan 0.000 0.421 450 F N 2.967 122.900 119.950 -0.030 0.000 2.404 450 F HA 0.471 4.998 4.527 0.000 0.000 0.358 450 F C 0.365 176.173 175.800 0.013 0.000 1.120 450 F CA -0.617 57.387 58.000 0.007 0.000 1.144 450 F CB 1.383 40.428 39.000 0.076 0.000 1.133 450 F HN 0.139 nan 8.300 nan 0.000 0.495 451 V N 0.199 120.166 119.914 0.088 0.000 3.040 451 V HA 0.965 5.085 4.120 0.000 0.000 0.312 451 V C -0.601 175.600 176.094 0.178 0.000 1.115 451 V CA -0.888 61.383 62.300 -0.049 0.000 0.998 451 V CB 1.729 33.101 31.823 -0.751 0.000 1.042 451 V HN 0.699 nan 8.190 nan 0.000 0.433 452 S N 1.007 116.851 115.700 0.240 0.000 2.579 452 S HA 0.873 5.343 4.470 0.000 0.000 0.272 452 S C -0.691 174.085 174.600 0.293 0.000 1.141 452 S CA -0.249 58.130 58.200 0.299 0.000 0.843 452 S CB 1.690 65.075 63.200 0.308 0.000 1.122 452 S HN 1.824 nan 8.310 nan 0.000 0.468 453 S N -0.096 115.753 115.700 0.250 0.000 2.569 453 S HA 0.597 5.067 4.470 0.000 0.000 0.280 453 S C 0.761 175.429 174.600 0.112 0.000 1.111 453 S CA -0.017 58.290 58.200 0.178 0.000 0.887 453 S CB 1.620 64.928 63.200 0.180 0.000 1.095 453 S HN 1.358 nan 8.310 nan 0.000 0.476 454 S N 1.997 117.735 115.700 0.063 0.000 2.522 454 S HA 0.377 4.847 4.470 0.000 0.000 0.227 454 S C 0.762 175.385 174.600 0.038 0.000 0.986 454 S CA 0.282 58.508 58.200 0.043 0.000 0.929 454 S CB -0.270 62.942 63.200 0.019 0.000 0.769 454 S HN 0.976 nan 8.310 nan 0.000 0.529 455 A N 1.240 124.084 122.820 0.041 0.000 2.269 455 A HA 0.713 5.033 4.320 0.000 0.000 0.327 455 A C 1.063 178.667 177.584 0.034 0.000 1.112 455 A CA -0.237 51.815 52.037 0.026 0.000 0.865 455 A CB 1.052 20.059 19.000 0.012 0.000 1.227 455 A HN 0.817 nan 8.150 nan 0.000 0.498 456 V N -2.577 117.346 119.914 0.015 0.000 3.541 456 V HA 0.297 4.417 4.120 0.000 0.000 0.267 456 V C 0.110 176.190 176.094 -0.023 0.000 1.213 456 V CA 1.406 63.709 62.300 0.005 0.000 1.149 456 V CB -0.749 31.074 31.823 -0.001 0.000 0.822 456 V HN 0.762 nan 8.190 nan 0.000 0.462 457 D N -1.640 118.748 120.400 -0.019 0.000 2.655 457 D HA 0.648 5.288 4.640 0.000 0.000 0.229 457 D C -0.805 175.488 176.300 -0.012 0.000 1.229 457 D CA 0.276 54.255 54.000 -0.035 0.000 0.807 457 D CB 2.433 43.202 40.800 -0.053 0.000 1.514 457 D HN 0.188 nan 8.370 nan 0.000 0.444 458 T N 0.584 115.122 114.554 -0.028 0.000 2.700 458 T HA 0.390 4.741 4.350 0.000 0.000 0.307 458 T C -1.960 172.655 174.700 -0.143 0.000 1.580 458 T CA -0.597 61.466 62.100 -0.062 0.000 0.992 458 T CB 0.988 69.784 68.868 -0.118 0.000 1.577 458 T HN 0.264 nan 8.240 nan 0.000 0.496 459 D N 0.360 120.593 120.400 -0.279 0.000 2.272 459 D HA 0.704 5.344 4.640 0.000 0.000 0.247 459 D C -1.049 174.901 176.300 -0.584 0.000 0.990 459 D CA 0.029 53.859 54.000 -0.284 0.000 0.931 459 D CB 0.970 41.635 40.800 -0.225 0.000 1.195 459 D HN 0.306 nan 8.370 nan 0.000 0.477 460 F N 0.030 119.962 119.950 -0.031 0.000 2.556 460 F HA 0.384 4.911 4.527 0.000 0.000 0.314 460 F C 0.509 176.295 175.800 -0.024 0.000 1.106 460 F CA -0.718 57.283 58.000 0.001 0.000 0.911 460 F CB 2.097 41.116 39.000 0.031 0.000 1.190 460 F HN 0.068 nan 8.300 nan 0.000 0.448 461 T N 0.076 114.731 114.554 0.167 0.000 2.912 461 T HA 0.939 5.289 4.350 0.000 0.000 0.288 461 T C -0.852 173.922 174.700 0.123 0.000 1.030 461 T CA -0.896 61.262 62.100 0.097 0.000 1.020 461 T CB 1.967 70.873 68.868 0.063 0.000 1.056 461 T HN 0.882 nan 8.240 nan 0.000 0.480 462 A N 1.851 124.728 122.820 0.096 0.000 2.422 462 A HA 0.785 5.105 4.320 0.000 0.000 0.302 462 A C -0.695 176.946 177.584 0.096 0.000 1.041 462 A CA -0.954 51.139 52.037 0.094 0.000 0.708 462 A CB 1.614 20.651 19.000 0.062 0.000 1.257 462 A HN 0.946 nan 8.150 nan 0.000 0.414 463 K N 2.247 122.712 120.400 0.107 0.000 2.471 463 K HA 0.567 4.887 4.320 0.000 0.000 0.252 463 K C -1.724 174.946 176.600 0.117 0.000 0.938 463 K CA -0.721 55.636 56.287 0.116 0.000 0.796 463 K CB 1.585 34.162 32.500 0.128 0.000 1.161 463 K HN 0.619 nan 8.250 nan 0.000 0.425 464 L N 4.933 126.223 121.223 0.112 0.000 2.305 464 L HA 0.440 4.780 4.340 0.000 0.000 0.281 464 L C -1.365 175.613 176.870 0.180 0.000 1.085 464 L CA -0.089 54.825 54.840 0.123 0.000 0.813 464 L CB 1.460 43.580 42.059 0.102 0.000 1.157 464 L HN 0.385 nan 8.230 nan 0.000 0.436 465 V N 4.105 124.152 119.914 0.221 0.000 2.709 465 V HA 0.378 4.498 4.120 0.000 0.000 0.308 465 V C -1.011 175.318 176.094 0.392 0.000 1.062 465 V CA -0.847 61.610 62.300 0.263 0.000 0.901 465 V CB 1.934 33.895 31.823 0.231 0.000 1.003 465 V HN 0.713 nan 8.190 nan 0.000 0.425 466 D N 3.276 123.915 120.400 0.398 0.000 2.359 466 D HA 0.370 5.010 4.640 0.000 0.000 0.230 466 D C -0.621 175.971 176.300 0.486 0.000 1.118 466 D CA -0.071 54.218 54.000 0.481 0.000 0.844 466 D CB 1.780 42.685 40.800 0.176 0.000 1.059 466 D HN 0.249 nan 8.370 nan 0.000 0.493 467 V N 5.369 125.535 119.914 0.419 0.000 2.385 467 V HA 0.256 4.377 4.120 0.000 0.000 0.269 467 V C 0.340 176.588 176.094 0.256 0.000 1.043 467 V CA -0.649 61.852 62.300 0.336 0.000 0.906 467 V CB 0.157 32.107 31.823 0.212 0.000 0.995 467 V HN 0.354 nan 8.190 nan 0.000 0.467 468 F N 6.705 126.628 119.950 -0.045 0.000 2.382 468 F HA 0.367 4.894 4.527 0.000 0.000 0.331 468 F C -0.965 174.680 175.800 -0.259 0.000 1.121 468 F CA -1.929 55.879 58.000 -0.320 0.000 1.183 468 F CB 0.624 39.530 39.000 -0.157 0.000 1.207 468 F HN 0.351 nan 8.300 nan 0.000 0.555 469 P HA -0.174 nan 4.420 nan 0.000 0.216 469 P C 0.721 178.024 177.300 0.005 0.000 1.150 469 P CA 1.563 64.612 63.100 -0.084 0.000 0.837 469 P CB -0.089 31.550 31.700 -0.101 0.000 0.786 470 D N -2.155 118.272 120.400 0.046 0.000 2.371 470 D HA 0.043 4.684 4.640 0.000 0.000 0.221 470 D C 1.501 177.821 176.300 0.033 0.000 0.986 470 D CA 1.145 55.168 54.000 0.038 0.000 0.899 470 D CB -0.717 40.105 40.800 0.037 0.000 0.902 470 D HN 0.277 nan 8.370 nan 0.000 0.530 471 G N -0.227 108.607 108.800 0.056 0.000 2.339 471 G HA2 -0.275 3.685 3.960 0.000 0.000 0.209 471 G HA3 -0.275 3.685 3.960 0.000 0.000 0.209 471 G C 0.320 175.256 174.900 0.059 0.000 1.015 471 G CA -0.295 44.838 45.100 0.056 0.000 0.635 471 G HN 0.357 nan 8.290 nan 0.000 0.499 472 R N 1.283 121.787 120.500 0.007 0.000 2.494 472 R HA 0.386 4.727 4.340 0.000 0.000 0.291 472 R C 0.405 176.732 176.300 0.046 0.000 0.953 472 R CA 0.840 56.896 56.100 -0.074 0.000 1.098 472 R CB 0.399 30.509 30.300 -0.315 0.000 0.911 472 R HN 0.684 nan 8.270 nan 0.000 0.407 473 A N 5.942 128.788 122.820 0.044 0.000 2.508 473 A HA 0.300 4.620 4.320 0.000 0.000 0.336 473 A C -0.303 177.334 177.584 0.088 0.000 1.360 473 A CA -0.705 51.422 52.037 0.151 0.000 0.841 473 A CB 0.425 19.569 19.000 0.241 0.000 1.136 473 A HN 0.480 nan 8.150 nan 0.000 0.489 474 I N 2.591 123.242 120.570 0.135 0.000 2.312 474 I HA 0.279 4.450 4.170 0.000 0.000 0.291 474 I C 1.097 177.316 176.117 0.170 0.000 1.031 474 I CA -0.209 61.144 61.300 0.088 0.000 1.293 474 I CB 0.510 38.548 38.000 0.063 0.000 1.403 474 I HN 0.675 nan 8.210 nan 0.000 0.484 475 A N 7.308 130.214 122.820 0.142 0.000 2.567 475 A HA 0.272 4.592 4.320 0.000 0.000 0.240 475 A C 0.734 178.511 177.584 0.322 0.000 1.053 475 A CA 0.364 52.523 52.037 0.204 0.000 0.755 475 A CB 0.334 19.439 19.000 0.175 0.000 0.978 475 A HN 0.804 nan 8.150 nan 0.000 0.507 476 L N 1.805 123.176 121.223 0.246 0.000 2.838 476 L HA 0.265 4.605 4.340 0.000 0.000 0.184 476 L C 0.794 177.717 176.870 0.088 0.000 1.336 476 L CA 0.126 55.058 54.840 0.154 0.000 2.330 476 L CB -0.371 41.707 42.059 0.032 0.000 2.220 476 L HN 0.932 nan 8.230 nan 0.000 1.026 477 C N -0.744 118.580 119.300 0.041 0.000 2.529 477 C HA 0.815 5.275 4.460 0.000 0.000 0.329 477 C C -0.811 174.232 174.990 0.087 0.000 1.194 477 C CA -0.807 58.238 59.018 0.044 0.000 1.779 477 C CB 0.856 28.599 27.740 0.005 0.000 2.322 477 C HN 0.712 nan 8.230 nan 0.000 0.500 478 D N -0.206 120.256 120.400 0.103 0.000 2.626 478 D HA 0.818 5.458 4.640 0.000 0.000 0.278 478 D C -0.330 176.045 176.300 0.124 0.000 1.211 478 D CA -0.220 53.850 54.000 0.118 0.000 0.903 478 D CB 1.519 42.406 40.800 0.145 0.000 1.408 478 D HN 1.185 nan 8.370 nan 0.000 0.454 479 G N -1.040 107.827 108.800 0.112 0.000 2.600 479 G HA2 0.585 4.545 3.960 0.000 0.000 0.293 479 G HA3 0.585 4.545 3.960 0.000 0.000 0.293 479 G C -1.868 173.028 174.900 -0.008 0.000 1.408 479 G CA -0.871 44.270 45.100 0.068 0.000 0.782 479 G HN 0.772 nan 8.290 nan 0.000 0.482 480 I N -0.691 119.789 120.570 -0.150 0.000 2.913 480 I HA 0.722 4.892 4.170 0.000 0.000 0.302 480 I C -1.491 174.541 176.117 -0.141 0.000 1.246 480 I CA -1.191 59.981 61.300 -0.214 0.000 1.010 480 I CB 2.353 40.004 38.000 -0.582 0.000 1.259 480 I HN 0.536 nan 8.210 nan 0.000 0.434 481 V N 7.013 126.901 119.914 -0.044 0.000 2.531 481 V HA 0.562 4.682 4.120 0.000 0.000 0.301 481 V C -0.642 175.473 176.094 0.034 0.000 1.034 481 V CA -0.544 61.760 62.300 0.007 0.000 0.865 481 V CB 1.835 33.685 31.823 0.046 0.000 0.995 481 V HN 0.822 nan 8.190 nan 0.000 0.424 482 R N 6.233 126.773 120.500 0.067 0.000 2.234 482 R HA 0.338 4.678 4.340 0.000 0.000 0.324 482 R C 1.118 177.463 176.300 0.075 0.000 1.054 482 R CA -0.508 55.649 56.100 0.096 0.000 0.912 482 R CB 1.019 31.459 30.300 0.233 0.000 1.030 482 R HN 0.778 nan 8.270 nan 0.000 0.455 483 M N 4.060 123.667 119.600 0.011 0.000 2.213 483 M HA -0.174 4.307 4.480 0.000 0.000 0.263 483 M C 1.867 178.087 176.300 -0.132 0.000 1.062 483 M CA 1.673 56.951 55.300 -0.037 0.000 1.105 483 M CB -0.767 31.812 32.600 -0.035 0.000 1.385 483 M HN 0.655 nan 8.290 nan 0.000 0.417 484 R N -0.445 119.929 120.500 -0.209 0.000 2.159 484 R HA -0.182 4.158 4.340 0.000 0.000 0.237 484 R C 0.688 176.767 176.300 -0.369 0.000 1.131 484 R CA 1.552 57.441 56.100 -0.352 0.000 0.982 484 R CB -0.685 29.313 30.300 -0.503 0.000 0.868 484 R HN 0.302 nan 8.270 nan 0.000 0.453 485 Y N 1.759 122.042 120.300 -0.027 0.000 2.571 485 Y HA 0.265 4.816 4.550 0.001 0.000 0.275 485 Y C 1.848 177.729 175.900 -0.032 0.000 1.179 485 Y CA -0.776 57.311 58.100 -0.022 0.000 1.242 485 Y CB 0.045 38.505 38.460 0.001 0.000 1.126 485 Y HN 0.123 nan 8.280 nan 0.000 0.524 486 R N 0.126 120.654 120.500 0.047 0.000 2.117 486 R HA -0.155 4.185 4.340 0.000 0.000 0.243 486 R C 0.773 177.082 176.300 0.015 0.000 1.143 486 R CA 1.917 58.025 56.100 0.013 0.000 0.968 486 R CB -0.126 30.144 30.300 -0.049 0.000 0.863 486 R HN 0.206 nan 8.270 nan 0.000 0.444 487 E N 0.124 120.334 120.200 0.018 0.000 2.413 487 E HA 0.085 4.436 4.350 0.000 0.000 0.203 487 E C 0.071 176.685 176.600 0.024 0.000 0.957 487 E CA 0.503 56.912 56.400 0.015 0.000 0.950 487 E CB 1.235 30.942 29.700 0.012 0.000 0.957 487 E HN 0.290 nan 8.360 nan 0.000 0.497 488 T N -0.643 113.942 114.554 0.053 0.000 2.942 488 T HA 0.373 4.724 4.350 0.000 0.000 0.327 488 T C -0.017 174.756 174.700 0.121 0.000 1.360 488 T CA -0.540 61.591 62.100 0.051 0.000 1.055 488 T CB 0.802 69.690 68.868 0.032 0.000 1.261 488 T HN -0.086 nan 8.240 nan 0.000 0.485 489 L N 3.586 124.816 121.223 0.012 0.000 2.558 489 L HA 0.200 4.541 4.340 0.000 0.000 0.225 489 L C 1.629 178.435 176.870 -0.108 0.000 1.128 489 L CA 0.194 54.966 54.840 -0.112 0.000 0.868 489 L CB 0.162 42.047 42.059 -0.290 0.000 1.006 489 L HN 0.522 nan 8.230 nan 0.000 0.454 490 V N -1.884 118.022 119.914 -0.014 0.000 2.806 490 V HA 0.110 4.230 4.120 0.000 0.000 0.239 490 V C 0.501 176.628 176.094 0.055 0.000 1.113 490 V CA 0.500 62.787 62.300 -0.022 0.000 1.137 490 V CB 0.017 31.814 31.823 -0.043 0.000 0.865 490 V HN 0.374 nan 8.190 nan 0.000 0.482 491 N N 1.798 120.535 118.700 0.063 0.000 2.904 491 N HA 0.320 5.061 4.740 0.000 0.000 0.257 491 N C -2.831 172.700 175.510 0.035 0.000 1.363 491 N CA -0.890 52.188 53.050 0.048 0.000 0.856 491 N CB 1.141 39.642 38.487 0.023 0.000 1.166 491 N HN 0.357 nan 8.380 nan 0.000 0.499 492 P HA 0.086 nan 4.420 nan 0.000 0.272 492 P C -0.052 177.184 177.300 -0.106 0.000 1.223 492 P CA 0.139 63.171 63.100 -0.114 0.000 0.784 492 P CB 0.863 32.351 31.700 -0.353 0.000 0.923 493 T N -0.588 113.890 114.554 -0.126 0.000 2.909 493 T HA 0.565 4.915 4.350 0.000 0.000 0.299 493 T C 0.195 174.820 174.700 -0.124 0.000 1.073 493 T CA -0.937 61.107 62.100 -0.094 0.000 0.999 493 T CB 0.702 69.540 68.868 -0.050 0.000 1.098 493 T HN 0.140 nan 8.240 nan 0.000 0.477 494 L N 1.905 123.072 121.223 -0.094 0.000 2.470 494 L HA 0.604 4.945 4.340 0.000 0.000 0.243 494 L C 0.508 177.322 176.870 -0.094 0.000 1.227 494 L CA -1.094 53.689 54.840 -0.095 0.000 0.824 494 L CB 0.187 42.212 42.059 -0.057 0.000 1.175 494 L HN 0.757 nan 8.230 nan 0.000 0.503 495 I N -2.879 117.637 120.570 -0.090 0.000 2.846 495 I HA 0.461 4.631 4.170 0.000 0.000 0.307 495 I C -0.676 175.499 176.117 0.097 0.000 1.053 495 I CA -0.919 60.337 61.300 -0.072 0.000 1.050 495 I CB 1.918 39.719 38.000 -0.331 0.000 1.239 495 I HN 0.339 nan 8.210 nan 0.000 0.439 496 E N 3.098 123.452 120.200 0.256 0.000 2.229 496 E HA 0.372 4.723 4.350 0.000 0.000 0.283 496 E C -0.159 176.552 176.600 0.186 0.000 1.030 496 E CA -0.439 56.068 56.400 0.178 0.000 0.836 496 E CB 1.777 31.562 29.700 0.142 0.000 1.068 496 E HN 0.792 nan 8.360 nan 0.000 0.401 497 A N 2.062 124.951 122.820 0.114 0.000 2.580 497 A HA 0.296 4.617 4.320 0.000 0.000 0.244 497 A C 1.415 179.055 177.584 0.093 0.000 1.045 497 A CA 1.081 53.178 52.037 0.100 0.000 0.761 497 A CB -0.447 18.589 19.000 0.061 0.000 0.962 497 A HN 0.840 nan 8.150 nan 0.000 0.512 498 G N 1.234 110.097 108.800 0.105 0.000 2.253 498 G HA2 -0.275 3.685 3.960 0.000 0.000 0.251 498 G HA3 -0.275 3.685 3.960 0.000 0.000 0.251 498 G C 0.300 175.223 174.900 0.039 0.000 0.998 498 G CA 0.605 45.751 45.100 0.075 0.000 0.621 498 G HN 1.144 nan 8.290 nan 0.000 0.524 499 E N 0.694 120.914 120.200 0.032 0.000 2.360 499 E HA 0.441 4.791 4.350 0.000 0.000 0.269 499 E C 0.481 176.949 176.600 -0.219 0.000 1.022 499 E CA -0.645 55.674 56.400 -0.135 0.000 0.887 499 E CB 0.216 29.781 29.700 -0.225 0.000 0.990 499 E HN 0.379 nan 8.360 nan 0.000 0.426 500 I N 5.035 125.415 120.570 -0.316 0.000 2.416 500 I HA 0.075 4.245 4.170 0.000 0.000 0.288 500 I C -0.631 175.268 176.117 -0.364 0.000 1.051 500 I CA -0.042 61.088 61.300 -0.284 0.000 1.375 500 I CB 0.212 37.970 38.000 -0.403 0.000 1.407 500 I HN 0.491 nan 8.210 nan 0.000 0.516 501 Y N 4.238 124.539 120.300 0.002 0.000 2.468 501 Y HA 0.357 4.908 4.550 0.000 0.000 0.342 501 Y C 0.170 176.012 175.900 -0.098 0.000 1.021 501 Y CA -0.837 57.252 58.100 -0.017 0.000 1.079 501 Y CB 1.479 39.926 38.460 -0.020 0.000 1.226 501 Y HN 0.461 nan 8.280 nan 0.000 0.460 502 E N 2.935 123.117 120.200 -0.031 0.000 2.109 502 E HA 0.500 4.851 4.350 0.000 0.000 0.278 502 E C -1.433 175.038 176.600 -0.216 0.000 0.954 502 E CA -0.654 55.518 56.400 -0.381 0.000 0.779 502 E CB 0.913 30.220 29.700 -0.654 0.000 1.093 502 E HN 0.538 nan 8.360 nan 0.000 0.401 503 V N 1.033 120.806 119.914 -0.235 0.000 2.715 503 V HA 0.864 4.984 4.120 0.000 0.000 0.310 503 V C -0.186 175.812 176.094 -0.160 0.000 1.054 503 V CA -0.993 61.223 62.300 -0.140 0.000 0.928 503 V CB 1.483 33.258 31.823 -0.080 0.000 1.007 503 V HN 0.675 nan 8.190 nan 0.000 0.437 504 A N 4.903 127.659 122.820 -0.107 0.000 2.309 504 A HA 0.846 5.167 4.320 0.000 0.000 0.298 504 A C -0.316 177.230 177.584 -0.064 0.000 1.165 504 A CA -0.626 51.353 52.037 -0.098 0.000 0.821 504 A CB 0.247 19.202 19.000 -0.075 0.000 1.102 504 A HN 0.903 nan 8.150 nan 0.000 0.500 505 I N 2.311 122.843 120.570 -0.063 0.000 2.382 505 I HA 0.186 4.356 4.170 0.000 0.000 0.286 505 I C -0.704 175.398 176.117 -0.025 0.000 1.002 505 I CA -0.644 60.636 61.300 -0.033 0.000 1.135 505 I CB 1.773 39.764 38.000 -0.015 0.000 1.288 505 I HN 0.604 nan 8.210 nan 0.000 0.448 506 D N 7.599 127.989 120.400 -0.018 0.000 2.336 506 D HA 0.220 4.860 4.640 0.000 0.000 0.249 506 D C 0.161 176.472 176.300 0.018 0.000 1.213 506 D CA 0.023 54.022 54.000 -0.002 0.000 0.870 506 D CB 1.080 41.875 40.800 -0.009 0.000 1.076 506 D HN 0.457 nan 8.370 nan 0.000 0.483 507 M N 4.517 124.138 119.600 0.035 0.000 2.549 507 M HA 0.177 4.657 4.480 0.000 0.000 0.273 507 M C 0.787 177.130 176.300 0.071 0.000 1.213 507 M CA -0.335 54.997 55.300 0.053 0.000 0.976 507 M CB 0.023 32.651 32.600 0.046 0.000 1.457 507 M HN 0.405 nan 8.290 nan 0.000 0.485 508 L N -0.909 120.361 121.223 0.078 0.000 6.599 508 L HA -0.346 3.995 4.340 0.000 0.000 0.053 508 L C 0.154 177.117 176.870 0.156 0.000 2.154 508 L CA 1.095 55.999 54.840 0.108 0.000 1.573 508 L CB -1.543 40.574 42.059 0.096 0.000 2.834 508 L HN 0.429 nan 8.230 nan 0.000 1.072 509 A N -1.337 121.589 122.820 0.177 0.000 2.610 509 A HA 0.808 5.129 4.320 0.000 0.000 0.291 509 A C -0.724 176.913 177.584 0.087 0.000 1.086 509 A CA 0.513 52.695 52.037 0.241 0.000 0.677 509 A CB 2.179 21.477 19.000 0.497 0.000 1.278 509 A HN 0.639 nan 8.150 nan 0.000 0.414 510 T N -0.686 113.773 114.554 -0.159 0.000 2.769 510 T HA 0.675 5.025 4.350 0.000 0.000 0.306 510 T C -1.572 172.462 174.700 -1.110 0.000 1.400 510 T CA 0.294 61.944 62.100 -0.749 0.000 1.007 510 T CB 1.592 70.187 68.868 -0.456 0.000 1.392 510 T HN 1.754 nan 8.240 nan 0.000 0.500 511 S N 2.115 116.877 115.700 -1.562 0.000 2.775 511 S HA 0.650 5.121 4.470 0.000 0.000 0.277 511 S C -1.448 172.763 174.600 -0.648 0.000 1.156 511 S CA -0.633 57.034 58.200 -0.890 0.000 1.081 511 S CB 0.061 62.844 63.200 -0.694 0.000 1.054 511 S HN 0.724 nan 8.310 nan 0.000 0.482 512 N N 2.757 121.190 118.700 -0.445 0.000 2.287 512 N HA 0.488 5.228 4.740 0.000 0.000 0.289 512 N C -1.640 173.655 175.510 -0.359 0.000 1.066 512 N CA -0.456 52.325 53.050 -0.449 0.000 0.841 512 N CB 1.944 40.063 38.487 -0.612 0.000 1.599 512 N HN 0.295 nan 8.380 nan 0.000 0.476 513 V N 3.811 123.521 119.914 -0.339 0.000 2.364 513 V HA 0.409 4.530 4.120 0.000 0.000 0.272 513 V C -0.475 175.410 176.094 -0.349 0.000 1.036 513 V CA -0.427 61.733 62.300 -0.233 0.000 0.880 513 V CB -0.133 31.579 31.823 -0.184 0.000 0.991 513 V HN 0.525 nan 8.190 nan 0.000 0.460 514 F N 5.624 125.433 119.950 -0.235 0.000 2.438 514 F HA 0.391 4.919 4.527 0.000 0.000 0.360 514 F C 0.501 176.111 175.800 -0.316 0.000 1.118 514 F CA -0.122 57.701 58.000 -0.295 0.000 1.164 514 F CB 0.270 39.172 39.000 -0.164 0.000 1.131 514 F HN 0.257 nan 8.300 nan 0.000 0.527 515 L N 5.381 126.336 121.223 -0.446 0.000 2.456 515 L HA 0.380 4.721 4.340 0.000 0.000 0.257 515 L C -2.072 174.776 176.870 -0.035 0.000 1.162 515 L CA -2.120 52.552 54.840 -0.279 0.000 0.808 515 L CB 0.561 42.385 42.059 -0.391 0.000 1.136 515 L HN 0.310 nan 8.230 nan 0.000 0.466 516 P HA 0.056 nan 4.420 nan 0.000 0.266 516 P C 0.582 177.961 177.300 0.133 0.000 1.195 516 P CA 0.760 63.900 63.100 0.066 0.000 0.768 516 P CB 0.697 32.418 31.700 0.035 0.000 0.838 517 G N 0.768 109.635 108.800 0.112 0.000 2.234 517 G HA2 -0.181 3.779 3.960 0.000 0.000 0.235 517 G HA3 -0.181 3.779 3.960 0.000 0.000 0.235 517 G C 0.251 175.172 174.900 0.035 0.000 0.997 517 G CA -0.308 44.835 45.100 0.071 0.000 0.623 517 G HN 0.648 nan 8.290 nan 0.000 0.514 518 H N 0.224 119.279 119.070 -0.025 0.000 2.523 518 H HA 0.699 5.255 4.556 0.001 0.000 0.345 518 H C 0.383 175.742 175.328 0.051 0.000 1.261 518 H CA -0.307 55.738 56.048 -0.005 0.000 1.343 518 H CB 0.992 30.726 29.762 -0.047 0.000 1.650 518 H HN 0.221 nan 8.280 nan 0.000 0.591 519 R N 0.319 120.946 120.500 0.212 0.000 2.807 519 R HA 0.428 4.768 4.340 0.000 0.000 0.276 519 R C -0.660 175.707 176.300 0.112 0.000 0.979 519 R CA -0.819 55.355 56.100 0.123 0.000 0.928 519 R CB 1.912 32.266 30.300 0.089 0.000 1.191 519 R HN 0.396 nan 8.270 nan 0.000 0.471 520 I N 2.452 122.949 120.570 -0.122 0.000 2.365 520 I HA 0.342 4.513 4.170 0.000 0.000 0.291 520 I C -0.040 176.022 176.117 -0.092 0.000 1.004 520 I CA -0.079 61.013 61.300 -0.346 0.000 1.311 520 I CB 1.224 38.746 38.000 -0.796 0.000 1.401 520 I HN 0.403 nan 8.210 nan 0.000 0.491 521 M N 7.153 126.762 119.600 0.014 0.000 2.446 521 M HA 0.598 5.078 4.480 0.000 0.000 0.294 521 M C -2.095 174.263 176.300 0.097 0.000 1.158 521 M CA -0.669 54.677 55.300 0.077 0.000 0.899 521 M CB 2.455 35.122 32.600 0.112 0.000 1.687 521 M HN 0.370 nan 8.290 nan 0.000 0.455 522 V N 4.583 124.576 119.914 0.132 0.000 2.540 522 V HA 0.484 4.604 4.120 0.000 0.000 0.302 522 V C -1.127 175.091 176.094 0.206 0.000 1.035 522 V CA -0.306 62.085 62.300 0.151 0.000 0.873 522 V CB 2.272 34.165 31.823 0.116 0.000 0.992 522 V HN 0.956 nan 8.190 nan 0.000 0.428 523 Q N 4.595 124.495 119.800 0.167 0.000 2.278 523 Q HA 0.608 4.948 4.340 0.000 0.000 0.257 523 Q C -1.091 175.004 176.000 0.158 0.000 0.928 523 Q CA -0.498 55.395 55.803 0.150 0.000 0.932 523 Q CB 2.266 31.082 28.738 0.130 0.000 1.221 523 Q HN 0.611 nan 8.270 nan 0.000 0.434 524 V N 1.755 121.780 119.914 0.185 0.000 2.513 524 V HA 0.633 4.753 4.120 0.000 0.000 0.299 524 V C -0.165 175.973 176.094 0.073 0.000 1.035 524 V CA -0.234 62.179 62.300 0.188 0.000 0.889 524 V CB 1.667 33.670 31.823 0.299 0.000 0.988 524 V HN 0.824 nan 8.190 nan 0.000 0.440 525 S N 2.463 118.210 115.700 0.077 0.000 2.929 525 S HA 0.514 4.985 4.470 0.000 0.000 0.311 525 S C 0.173 174.800 174.600 0.046 0.000 1.213 525 S CA 0.060 58.208 58.200 -0.087 0.000 0.908 525 S CB 2.016 65.136 63.200 -0.134 0.000 1.287 525 S HN 0.579 nan 8.310 nan 0.000 0.594 526 S N 0.692 116.312 115.700 -0.134 0.000 2.819 526 S HA 0.462 4.933 4.470 0.000 0.000 0.249 526 S C -0.763 173.464 174.600 -0.621 0.000 1.030 526 S CA 0.051 58.007 58.200 -0.407 0.000 1.052 526 S CB 0.368 63.248 63.200 -0.533 0.000 1.017 526 S HN 0.889 nan 8.310 nan 0.000 0.576 527 S N 1.313 116.812 115.700 -0.336 0.000 2.587 527 S HA 0.699 5.170 4.470 0.000 0.000 0.269 527 S C -1.498 173.116 174.600 0.023 0.000 1.154 527 S CA -0.807 57.280 58.200 -0.188 0.000 0.824 527 S CB 1.745 64.822 63.200 -0.205 0.000 1.118 527 S HN 0.036 nan 8.310 nan 0.000 0.462 528 N N 0.322 119.112 118.700 0.150 0.000 2.946 528 N HA 0.279 5.020 4.740 0.000 0.000 0.213 528 N C -2.098 173.543 175.510 0.218 0.000 1.440 528 N CA -0.294 52.870 53.050 0.190 0.000 0.745 528 N CB 0.469 39.104 38.487 0.247 0.000 1.471 528 N HN 0.687 nan 8.380 nan 0.000 0.569 529 F N 3.514 123.492 119.950 0.046 0.000 2.469 529 F HA 0.710 5.237 4.527 0.001 0.000 0.332 529 F C -1.795 173.976 175.800 -0.048 0.000 1.103 529 F CA -2.140 55.867 58.000 0.011 0.000 0.979 529 F CB 2.179 41.198 39.000 0.032 0.000 1.137 529 F HN 0.124 nan 8.300 nan 0.000 0.463 530 P HA 0.073 nan 4.420 nan 0.000 0.258 530 P C 0.584 177.572 177.300 -0.519 0.000 1.416 530 P CA 0.169 62.512 63.100 -1.262 0.000 0.927 530 P CB 0.481 31.319 31.700 -1.437 0.000 1.444 531 K N 0.951 121.151 120.400 -0.334 0.000 2.020 531 K HA -0.152 4.168 4.320 0.000 0.000 0.212 531 K C 0.014 176.256 176.600 -0.596 0.000 1.050 531 K CA 1.611 57.645 56.287 -0.422 0.000 0.929 531 K CB -0.687 31.558 32.500 -0.425 0.000 0.714 531 K HN 0.093 nan 8.250 nan 0.000 0.443 532 Y N 1.011 121.288 120.300 -0.039 0.000 2.468 532 Y HA 0.216 4.766 4.550 0.000 0.000 0.342 532 Y C -0.326 175.629 175.900 0.092 0.000 1.021 532 Y CA -1.979 56.118 58.100 -0.005 0.000 1.079 532 Y CB 1.046 39.514 38.460 0.013 0.000 1.226 532 Y HN 0.167 nan 8.280 nan 0.000 0.460 533 D N 1.446 122.002 120.400 0.259 0.000 2.382 533 D HA 0.080 4.720 4.640 0.000 0.000 0.240 533 D C -0.544 175.939 176.300 0.304 0.000 1.146 533 D CA -0.430 53.757 54.000 0.312 0.000 0.897 533 D CB 0.757 41.674 40.800 0.196 0.000 1.197 533 D HN 0.510 nan 8.370 nan 0.000 0.432 534 R N 1.239 121.907 120.500 0.280 0.000 2.438 534 R HA 0.179 4.520 4.340 0.000 0.000 0.287 534 R C 0.567 176.973 176.300 0.177 0.000 1.077 534 R CA -0.706 55.514 56.100 0.199 0.000 1.034 534 R CB 0.264 30.610 30.300 0.076 0.000 0.993 534 R HN 0.427 nan 8.270 nan 0.000 0.459 535 N N 0.952 119.773 118.700 0.202 0.000 2.497 535 N HA -0.058 4.683 4.740 0.000 0.000 0.268 535 N C 0.637 176.248 175.510 0.167 0.000 1.171 535 N CA 0.106 53.258 53.050 0.170 0.000 0.948 535 N CB 1.149 39.714 38.487 0.130 0.000 1.069 535 N HN 0.659 nan 8.380 nan 0.000 0.460 536 S N 2.615 118.362 115.700 0.078 0.000 2.481 536 S HA -0.056 4.414 4.470 0.000 0.000 0.231 536 S C 0.381 174.974 174.600 -0.011 0.000 0.996 536 S CA 0.191 58.400 58.200 0.015 0.000 0.942 536 S CB -0.177 63.029 63.200 0.010 0.000 0.768 536 S HN 0.729 nan 8.310 nan 0.000 0.520 537 N N 0.826 119.541 118.700 0.025 0.000 2.776 537 N HA -0.136 4.604 4.740 0.000 0.000 0.250 537 N C 0.665 176.168 175.510 -0.012 0.000 1.112 537 N CA 1.521 54.575 53.050 0.007 0.000 0.733 537 N CB -2.100 36.369 38.487 -0.031 0.000 1.097 537 N HN 0.875 nan 8.380 nan 0.000 0.558 538 T N -5.707 108.842 114.554 -0.009 0.000 2.955 538 T HA 0.427 4.777 4.350 0.000 0.000 0.251 538 T C 1.379 176.070 174.700 -0.014 0.000 1.002 538 T CA 1.321 63.413 62.100 -0.013 0.000 0.970 538 T CB 0.884 69.744 68.868 -0.013 0.000 1.091 538 T HN 0.752 nan 8.240 nan 0.000 0.495 539 G N 0.950 109.739 108.800 -0.018 0.000 2.176 539 G HA2 -0.057 3.903 3.960 0.000 0.000 0.253 539 G HA3 -0.057 3.903 3.960 0.000 0.000 0.253 539 G C 0.593 175.480 174.900 -0.023 0.000 0.979 539 G CA 0.060 45.142 45.100 -0.030 0.000 0.641 539 G HN 1.016 nan 8.290 nan 0.000 0.530 540 G N -1.001 107.794 108.800 -0.009 0.000 2.516 540 G HA2 0.521 4.482 3.960 0.000 0.000 0.276 540 G HA3 0.521 4.482 3.960 0.000 0.000 0.276 540 G C 0.321 175.229 174.900 0.013 0.000 1.390 540 G CA 0.159 45.259 45.100 -0.000 0.000 1.050 540 G HN 0.918 nan 8.290 nan 0.000 0.519 541 V N 1.435 121.362 119.914 0.020 0.000 2.313 541 V HA 0.066 4.186 4.120 0.000 0.000 0.252 541 V C 1.588 177.712 176.094 0.050 0.000 1.112 541 V CA -0.065 62.259 62.300 0.040 0.000 0.984 541 V CB 0.054 31.895 31.823 0.030 0.000 1.157 541 V HN 0.599 nan 8.190 nan 0.000 0.493 542 I N 3.487 124.099 120.570 0.070 0.000 2.185 542 I HA -0.317 3.853 4.170 0.000 0.000 0.246 542 I C 2.477 178.635 176.117 0.070 0.000 1.088 542 I CA 2.173 63.517 61.300 0.073 0.000 1.347 542 I CB -0.185 37.878 38.000 0.106 0.000 1.041 542 I HN 0.671 nan 8.210 nan 0.000 0.415 543 A N 0.102 122.972 122.820 0.083 0.000 2.119 543 A HA -0.066 4.254 4.320 0.000 0.000 0.217 543 A C 2.193 179.803 177.584 0.044 0.000 1.153 543 A CA 0.936 53.015 52.037 0.070 0.000 0.692 543 A CB -0.360 18.691 19.000 0.085 0.000 0.799 543 A HN 0.362 nan 8.150 nan 0.000 0.458 544 R N -0.018 120.504 120.500 0.036 0.000 2.334 544 R HA 0.143 4.483 4.340 0.000 0.000 0.216 544 R C -0.422 175.886 176.300 0.015 0.000 0.905 544 R CA 0.010 56.122 56.100 0.020 0.000 1.064 544 R CB 0.319 30.628 30.300 0.014 0.000 1.046 544 R HN 0.569 nan 8.270 nan 0.000 0.508 545 E N 1.255 121.466 120.200 0.017 0.000 2.266 545 E HA 0.120 4.471 4.350 0.000 0.000 0.277 545 E C -0.259 176.342 176.600 0.001 0.000 1.018 545 E CA -0.389 56.016 56.400 0.007 0.000 0.840 545 E CB 1.160 30.863 29.700 0.006 0.000 1.082 545 E HN -0.104 nan 8.360 nan 0.000 0.395 546 Q N 2.204 122.001 119.800 -0.006 0.000 2.288 546 Q HA 0.031 4.371 4.340 0.000 0.000 0.254 546 Q C 0.872 176.859 176.000 -0.022 0.000 0.932 546 Q CA -0.129 55.668 55.803 -0.011 0.000 0.902 546 Q CB 1.578 30.309 28.738 -0.011 0.000 1.203 546 Q HN 0.515 nan 8.270 nan 0.000 0.415 547 L N 4.090 125.296 121.223 -0.029 0.000 1.997 547 L HA -0.293 4.047 4.340 0.000 0.000 0.216 547 L C 2.080 178.922 176.870 -0.048 0.000 1.074 547 L CA 2.485 57.297 54.840 -0.046 0.000 0.763 547 L CB -0.541 41.486 42.059 -0.053 0.000 0.890 547 L HN 0.861 nan 8.230 nan 0.000 0.434 548 E N -0.802 119.376 120.200 -0.037 0.000 2.209 548 E HA -0.227 4.123 4.350 0.000 0.000 0.196 548 E C 1.315 177.895 176.600 -0.034 0.000 0.993 548 E CA 1.460 57.840 56.400 -0.034 0.000 0.819 548 E CB -0.102 29.583 29.700 -0.025 0.000 0.745 548 E HN 0.652 nan 8.360 nan 0.000 0.477 549 E N -0.077 120.105 120.200 -0.030 0.000 2.437 549 E HA 0.080 4.431 4.350 0.000 0.000 0.189 549 E C 0.087 176.667 176.600 -0.033 0.000 1.054 549 E CA 0.082 56.466 56.400 -0.027 0.000 0.874 549 E CB 0.215 29.904 29.700 -0.019 0.000 1.011 549 E HN 0.420 nan 8.360 nan 0.000 0.474 550 M N 0.292 119.864 119.600 -0.046 0.000 2.359 550 M HA 0.247 4.728 4.480 0.000 0.000 0.322 550 M C -0.065 176.189 176.300 -0.077 0.000 1.166 550 M CA -0.454 54.810 55.300 -0.060 0.000 1.067 550 M CB 1.381 33.936 32.600 -0.075 0.000 1.523 550 M HN -0.093 nan 8.290 nan 0.000 0.467 551 C N 0.607 119.856 119.300 -0.086 0.000 2.397 551 C HA 0.649 5.110 4.460 0.000 0.000 0.343 551 C C 0.863 175.759 174.990 -0.155 0.000 1.188 551 C CA -0.799 58.162 59.018 -0.094 0.000 1.992 551 C CB 1.278 28.979 27.740 -0.064 0.000 2.358 551 C HN 0.894 nan 8.230 nan 0.000 0.518 552 T N 0.098 114.564 114.554 -0.147 0.000 2.849 552 T HA 0.663 5.013 4.350 0.000 0.000 0.284 552 T C -0.351 174.272 174.700 -0.128 0.000 1.004 552 T CA -0.371 61.614 62.100 -0.192 0.000 1.021 552 T CB 1.072 69.859 68.868 -0.134 0.000 1.013 552 T HN 1.144 nan 8.240 nan 0.000 0.527 553 A N 1.192 123.947 122.820 -0.109 0.000 2.422 553 A HA 0.641 4.962 4.320 0.000 0.000 0.302 553 A C -0.577 176.995 177.584 -0.021 0.000 1.041 553 A CA -0.915 51.103 52.037 -0.031 0.000 0.708 553 A CB 1.676 20.688 19.000 0.020 0.000 1.257 553 A HN 0.867 nan 8.150 nan 0.000 0.414 554 V N 3.188 123.085 119.914 -0.029 0.000 2.368 554 V HA 0.240 4.361 4.120 0.000 0.000 0.266 554 V C 0.182 176.218 176.094 -0.097 0.000 1.045 554 V CA -0.236 62.029 62.300 -0.058 0.000 0.899 554 V CB 0.150 31.957 31.823 -0.027 0.000 1.006 554 V HN 0.897 nan 8.190 nan 0.000 0.470 555 N N 3.967 122.502 118.700 -0.275 0.000 2.384 555 N HA 0.743 5.483 4.740 0.000 0.000 0.301 555 N C -0.609 174.715 175.510 -0.311 0.000 1.133 555 N CA -0.972 51.922 53.050 -0.261 0.000 0.853 555 N CB 2.171 40.416 38.487 -0.403 0.000 1.241 555 N HN 0.574 nan 8.380 nan 0.000 0.502 556 R N 2.034 122.510 120.500 -0.040 0.000 2.564 556 R HA 0.423 4.763 4.340 0.000 0.000 0.284 556 R C -1.677 174.539 176.300 -0.140 0.000 1.031 556 R CA -0.596 55.431 56.100 -0.121 0.000 0.904 556 R CB 0.944 31.129 30.300 -0.191 0.000 1.199 556 R HN 0.453 nan 8.270 nan 0.000 0.443 557 I N 4.933 125.437 120.570 -0.110 0.000 2.330 557 I HA 0.300 4.470 4.170 0.000 0.000 0.289 557 I C 0.022 176.033 176.117 -0.178 0.000 1.001 557 I CA -0.570 60.685 61.300 -0.075 0.000 1.193 557 I CB 1.124 39.197 38.000 0.121 0.000 1.345 557 I HN 0.579 nan 8.210 nan 0.000 0.461 558 H N 7.138 126.224 119.070 0.027 0.000 2.502 558 H HA 0.589 5.145 4.556 0.000 0.000 0.327 558 H C -0.050 175.319 175.328 0.069 0.000 1.099 558 H CA -0.516 55.531 56.048 -0.001 0.000 1.323 558 H CB 1.584 31.232 29.762 -0.190 0.000 1.450 558 H HN 0.533 nan 8.280 nan 0.000 0.502 559 R N 1.041 121.638 120.500 0.162 0.000 2.626 559 R HA 0.699 5.039 4.340 0.000 0.000 0.274 559 R C -0.661 175.694 176.300 0.093 0.000 1.031 559 R CA -1.038 55.140 56.100 0.130 0.000 0.898 559 R CB 2.244 32.607 30.300 0.105 0.000 1.222 559 R HN 0.838 nan 8.270 nan 0.000 0.455 560 G N 1.277 110.102 108.800 0.041 0.000 2.362 560 G HA2 0.086 4.046 3.960 0.000 0.000 0.288 560 G HA3 0.086 4.046 3.960 0.000 0.000 0.288 560 G C -2.705 172.132 174.900 -0.105 0.000 1.305 560 G CA -0.822 44.266 45.100 -0.019 0.000 0.910 560 G HN 0.332 nan 8.290 nan 0.000 0.518 561 P HA 0.055 nan 4.420 nan 0.000 0.217 561 P C 1.387 178.535 177.300 -0.254 0.000 1.150 561 P CA 1.322 64.310 63.100 -0.187 0.000 0.832 561 P CB 0.240 31.848 31.700 -0.152 0.000 0.787 562 E N -1.290 118.710 120.200 -0.333 0.000 2.230 562 E HA -0.067 4.283 4.350 0.000 0.000 0.192 562 E C 0.174 176.183 176.600 -0.985 0.000 0.987 562 E CA 0.900 56.951 56.400 -0.581 0.000 0.841 562 E CB -0.423 28.887 29.700 -0.649 0.000 0.783 562 E HN 0.539 nan 8.360 nan 0.000 0.481 563 H N 0.033 118.783 119.070 -0.534 0.000 2.379 563 H HA 0.185 4.741 4.556 0.000 0.000 0.229 563 H C -2.275 172.675 175.328 -0.631 0.000 1.423 563 H CA -1.685 53.692 56.048 -1.119 0.000 1.375 563 H CB 0.729 30.071 29.762 -0.699 0.000 1.592 563 H HN -0.061 nan 8.280 nan 0.000 0.507 564 P HA 0.047 nan 4.420 nan 0.000 0.237 564 P C -0.207 177.510 177.300 0.694 0.000 1.788 564 P CA -0.133 63.108 63.100 0.234 0.000 1.061 564 P CB 0.181 31.976 31.700 0.158 0.000 1.967 565 S N 3.378 119.428 115.700 0.584 0.000 2.549 565 S HA 0.204 4.674 4.470 0.000 0.000 0.286 565 S C 0.437 175.243 174.600 0.344 0.000 1.314 565 S CA 0.147 58.623 58.200 0.459 0.000 1.062 565 S CB -0.187 63.172 63.200 0.264 0.000 0.865 565 S HN 0.578 nan 8.310 nan 0.000 0.498 566 H N 0.329 119.433 119.070 0.057 0.000 3.042 566 H HA 0.472 5.029 4.556 0.000 0.000 0.346 566 H C -1.351 173.932 175.328 -0.074 0.000 1.294 566 H CA -0.957 55.042 56.048 -0.081 0.000 1.141 566 H CB 0.628 30.190 29.762 -0.333 0.000 1.872 566 H HN 0.549 nan 8.280 nan 0.000 0.541 567 I N 2.123 122.689 120.570 -0.007 0.000 2.385 567 I HA 0.320 4.490 4.170 0.000 0.000 0.294 567 I C -0.693 175.472 176.117 0.080 0.000 0.988 567 I CA -0.995 60.289 61.300 -0.025 0.000 1.265 567 I CB 1.076 39.055 38.000 -0.036 0.000 1.388 567 I HN 0.380 nan 8.210 nan 0.000 0.480 568 V N 8.293 128.251 119.914 0.072 0.000 2.364 568 V HA 0.329 4.450 4.120 0.000 0.000 0.272 568 V C 0.032 176.185 176.094 0.098 0.000 1.036 568 V CA -0.465 61.921 62.300 0.144 0.000 0.880 568 V CB 0.976 32.894 31.823 0.158 0.000 0.991 568 V HN 0.500 nan 8.190 nan 0.000 0.460 569 L N 7.649 128.923 121.223 0.086 0.000 2.313 569 L HA 0.475 4.815 4.340 0.000 0.000 0.283 569 L C -2.132 174.725 176.870 -0.021 0.000 1.013 569 L CA -1.830 52.998 54.840 -0.020 0.000 0.816 569 L CB 2.546 44.480 42.059 -0.209 0.000 1.236 569 L HN 0.407 nan 8.230 nan 0.000 0.419 570 P HA 0.063 nan 4.420 nan 0.000 0.249 570 P C -0.358 176.808 177.300 -0.223 0.000 1.737 570 P CA -0.197 62.730 63.100 -0.289 0.000 1.128 570 P CB -0.206 31.331 31.700 -0.272 0.000 1.942 571 I N 4.504 124.975 120.570 -0.166 0.000 2.533 571 I HA 0.149 4.319 4.170 0.000 0.000 0.284 571 I C 1.004 177.049 176.117 -0.121 0.000 1.109 571 I CA -0.258 60.987 61.300 -0.092 0.000 1.412 571 I CB 0.192 38.186 38.000 -0.010 0.000 1.396 571 I HN 0.186 nan 8.210 nan 0.000 0.543 572 I N 6.146 126.661 120.570 -0.091 0.000 2.433 572 I HA 0.330 4.500 4.170 0.000 0.000 0.292 572 I C 0.049 176.136 176.117 -0.049 0.000 1.001 572 I CA -0.985 60.266 61.300 -0.082 0.000 1.119 572 I CB 1.567 39.517 38.000 -0.083 0.000 1.289 572 I HN 0.468 nan 8.210 nan 0.000 0.438 573 K N 7.261 127.636 120.400 -0.041 0.000 2.559 573 K HA 0.567 4.888 4.320 0.000 0.000 0.249 573 K C -0.666 175.920 176.600 -0.024 0.000 0.958 573 K CA -0.513 55.758 56.287 -0.027 0.000 0.901 573 K CB 1.276 33.764 32.500 -0.020 0.000 1.124 573 K HN 0.770 nan 8.250 nan 0.000 0.437 574 R N 0.000 120.487 120.500 -0.022 0.000 2.786 574 R HA 0.000 4.340 4.340 0.000 0.000 0.208 574 R CA 0.000 56.090 56.100 -0.017 0.000 0.921 574 R CB 0.000 30.290 30.300 -0.017 0.000 0.687 574 R HN 0.000 nan 8.270 nan 0.000 0.535