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 2io9_1_A DATA FIRST_RESID 10 DATA SEQUENCE APFGTLLGYA PGGVAIYSSD YSSXXXXXXX XDAVFRSYID DEYMGHKWQC DATA SEQUENCE VEFARRFLFL NYGVVFTDVG MAWEIFSLRF LREVVNDNIL PLQAFPNGSP DATA SEQUENCE RAPVAGALLI WDKGGEFKDT GHVAIITQLH GNKVRIAEQN VIHSPLPQGQ DATA SEQUENCE QWTRELEMVV ENGCYTLKDT FDDTTILGWM IQTEDTEYSL PQPEIAGELL DATA SEQUENCE KISGARLENK GQFDGKWLDE KDPLQNAYVQ ANGQVINQDP YHYYTITESA DATA SEQUENCE EQELIKATNE LHLMYLHATD KVLKDDNLLA LFDIPKILWP RLRLSWQRRR DATA SEQUENCE HHMITGRMDF CMDERGLKVY EYNADSASCH TEAGLILERW AEQGYKGNGF DATA SEQUENCE NPAEGLINEL AGAWKHSRAR PFVHIMQDKD IEENYHAQFM EQALHQAGFE DATA SEQUENCE TRILRGLDEL GWDAAGQLID GEGRLVNCVW KTWAWETAFD QIREVSDREF DATA SEQUENCE AAVPIRTGHP QNEVRLIDVL LRPEVLVFEP LWTVIPGNKA ILPILWSLFP DATA SEQUENCE HHRYLLDTDF TVNDELVKTG YAVKPIAGRC GSNIDLVSHH EEVLDKTSGK DATA SEQUENCE FAEQKNIYQQ LWCLPKVDGK YIQVCTFTVG GNYGGTCLRG DESLVIKKES DATA SEQUENCE DIEPLIVVK 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.633 177.584 0.081 0.000 1.274 10 A CA 0.000 52.066 52.037 0.048 0.000 0.836 10 A CB 0.000 19.006 19.000 0.010 0.000 0.831 11 P HA 0.260 nan 4.420 nan 0.000 0.271 11 P C -0.103 177.296 177.300 0.166 0.000 1.233 11 P CA -0.006 63.168 63.100 0.124 0.000 0.795 11 P CB 0.165 31.928 31.700 0.106 0.000 0.936 12 F N 1.104 121.098 119.950 0.072 0.000 2.608 12 F HA 0.266 4.793 4.527 0.001 0.000 0.380 12 F C 1.507 177.372 175.800 0.108 0.000 1.083 12 F CA 1.610 59.661 58.000 0.086 0.000 1.266 12 F CB -0.523 38.519 39.000 0.070 0.000 1.076 12 F HN 0.620 nan 8.300 nan 0.000 0.574 13 G N 3.119 111.500 108.800 -0.698 0.000 2.153 13 G HA2 -0.268 3.694 3.960 0.003 0.000 0.252 13 G HA3 -0.268 3.694 3.960 0.003 0.000 0.252 13 G C 0.233 174.986 174.900 -0.244 0.000 0.994 13 G CA 0.284 45.050 45.100 -0.557 0.000 0.698 13 G HN 0.894 nan 8.290 nan 0.000 0.521 14 T N 0.943 115.408 114.554 -0.148 0.000 2.832 14 T HA 0.451 4.802 4.350 0.003 0.000 0.296 14 T C 0.501 175.124 174.700 -0.129 0.000 0.968 14 T CA -0.248 61.804 62.100 -0.081 0.000 1.107 14 T CB 1.743 70.578 68.868 -0.055 0.000 0.916 14 T HN 0.619 nan 8.240 nan 0.000 0.517 15 L N 4.827 125.970 121.223 -0.133 0.000 2.462 15 L HA 0.227 4.569 4.340 0.003 0.000 0.272 15 L C 0.447 177.096 176.870 -0.370 0.000 1.166 15 L CA 0.388 54.983 54.840 -0.408 0.000 0.880 15 L CB -0.069 41.769 42.059 -0.369 0.000 1.142 15 L HN 0.687 nan 8.230 nan 0.000 0.473 16 L N 4.980 125.923 121.223 -0.467 0.000 2.664 16 L HA 0.594 4.936 4.340 0.003 0.000 0.233 16 L C 0.975 177.635 176.870 -0.350 0.000 1.113 16 L CA 0.235 54.874 54.840 -0.335 0.000 0.896 16 L CB -0.501 41.373 42.059 -0.308 0.000 1.163 16 L HN 0.897 nan 8.230 nan 0.000 0.497 17 G N -0.856 107.628 108.800 -0.527 0.000 2.320 17 G HA2 0.106 4.067 3.960 0.003 0.000 0.274 17 G HA3 0.106 4.067 3.960 0.003 0.000 0.274 17 G C -2.071 172.384 174.900 -0.742 0.000 1.324 17 G CA -0.797 44.039 45.100 -0.440 0.000 0.957 17 G HN -0.155 nan 8.290 nan 0.000 0.481 18 Y N -0.139 120.071 120.300 -0.150 0.000 2.524 18 Y HA 0.770 5.321 4.550 0.002 0.000 0.347 18 Y C 0.704 176.616 175.900 0.020 0.000 1.005 18 Y CA -0.110 57.949 58.100 -0.070 0.000 1.025 18 Y CB 2.127 40.557 38.460 -0.050 0.000 1.275 18 Y HN 1.037 nan 8.280 nan 0.000 0.460 19 A N 2.438 125.444 122.820 0.309 0.000 2.264 19 A HA 0.750 5.072 4.320 0.003 0.000 0.304 19 A C -2.743 175.087 177.584 0.410 0.000 1.100 19 A CA -2.128 50.148 52.037 0.399 0.000 0.839 19 A CB 0.055 19.463 19.000 0.680 0.000 1.121 19 A HN 0.509 nan 8.150 nan 0.000 0.496 20 P HA 0.116 nan 4.420 nan 0.000 0.263 20 P C 0.953 178.349 177.300 0.160 0.000 1.168 20 P CA 2.454 65.737 63.100 0.305 0.000 0.759 20 P CB 0.302 32.228 31.700 0.377 0.000 0.782 21 G N 2.345 111.172 108.800 0.044 0.000 2.179 21 G HA2 -0.113 3.849 3.960 0.003 0.000 0.260 21 G HA3 -0.113 3.849 3.960 0.003 0.000 0.260 21 G C 0.784 175.645 174.900 -0.065 0.000 0.977 21 G CA 0.293 45.351 45.100 -0.070 0.000 0.641 21 G HN 1.110 nan 8.290 nan 0.000 0.533 22 G N -2.212 106.597 108.800 0.016 0.000 2.132 22 G HA2 0.040 4.001 3.960 0.003 0.000 0.228 22 G HA3 0.040 4.001 3.960 0.003 0.000 0.228 22 G C 0.257 175.296 174.900 0.231 0.000 1.000 22 G CA 0.412 45.528 45.100 0.027 0.000 0.693 22 G HN 1.653 nan 8.290 nan 0.000 0.515 23 V N 1.335 121.389 119.914 0.234 0.000 2.372 23 V HA 0.614 4.736 4.120 0.003 0.000 0.261 23 V C 1.238 177.490 176.094 0.263 0.000 1.055 23 V CA -0.253 62.184 62.300 0.227 0.000 0.930 23 V CB 0.493 32.441 31.823 0.208 0.000 1.031 23 V HN 1.147 nan 8.190 nan 0.000 0.479 24 A N 6.560 129.415 122.820 0.058 0.000 2.507 24 A HA 0.499 4.820 4.320 0.003 0.000 0.235 24 A C -0.152 177.154 177.584 -0.464 0.000 1.070 24 A CA 0.207 51.904 52.037 -0.566 0.000 0.768 24 A CB -0.002 18.506 19.000 -0.821 0.000 1.011 24 A HN 0.787 nan 8.150 nan 0.000 0.502 25 I N 1.647 121.741 120.570 -0.793 0.000 2.439 25 I HA 0.336 4.508 4.170 0.003 0.000 0.285 25 I C -1.116 174.493 176.117 -0.847 0.000 1.021 25 I CA -0.171 60.760 61.300 -0.615 0.000 1.091 25 I CB 1.148 38.825 38.000 -0.538 0.000 1.242 25 I HN 0.659 nan 8.210 nan 0.000 0.439 26 Y N 3.038 122.982 120.300 -0.593 0.000 2.534 26 Y HA 0.428 4.979 4.550 0.003 0.000 0.329 26 Y C 0.844 176.411 175.900 -0.555 0.000 1.154 26 Y CA -0.682 56.974 58.100 -0.741 0.000 1.192 26 Y CB 1.488 39.074 38.460 -1.456 0.000 1.275 26 Y HN 0.450 nan 8.280 nan 0.000 0.491 27 S N 0.650 116.169 115.700 -0.303 0.000 2.545 27 S HA 0.282 4.753 4.470 0.003 0.000 0.275 27 S C -0.148 174.376 174.600 -0.126 0.000 1.299 27 S CA -0.541 57.532 58.200 -0.213 0.000 1.048 27 S CB 0.023 63.208 63.200 -0.024 0.000 0.938 27 S HN 0.659 nan 8.310 nan 0.000 0.496 28 S N 2.823 118.526 115.700 0.005 0.000 2.312 28 S HA 0.237 4.709 4.470 0.003 0.000 0.211 28 S C -0.799 174.058 174.600 0.428 0.000 1.315 28 S CA -0.837 57.500 58.200 0.228 0.000 1.267 28 S CB -0.035 63.329 63.200 0.274 0.000 1.072 28 S HN 0.758 nan 8.310 nan 0.000 0.490 29 D N 0.941 121.587 120.400 0.409 0.000 2.479 29 D HA 0.295 4.936 4.640 0.003 0.000 0.218 29 D C 0.385 176.816 176.300 0.217 0.000 1.131 29 D CA -0.705 53.404 54.000 0.182 0.000 0.916 29 D CB 0.084 40.935 40.800 0.085 0.000 1.022 29 D HN 0.337 nan 8.370 nan 0.000 0.515 30 Y N 1.673 122.145 120.300 0.286 0.000 2.333 30 Y HA -0.217 4.334 4.550 0.002 0.000 0.290 30 Y C 2.726 178.656 175.900 0.050 0.000 1.144 30 Y CA 1.116 59.274 58.100 0.096 0.000 1.228 30 Y CB -0.532 37.954 38.460 0.044 0.000 0.985 30 Y HN 0.473 nan 8.280 nan 0.000 0.542 31 S N 0.137 115.955 115.700 0.198 0.000 2.372 31 S HA -0.234 4.238 4.470 0.003 0.000 0.227 31 S C 1.572 176.229 174.600 0.096 0.000 1.044 31 S CA 0.762 59.029 58.200 0.113 0.000 1.050 31 S CB -1.375 61.869 63.200 0.074 0.000 0.901 31 S HN 0.477 nan 8.310 nan 0.000 0.447 42 A N 1.162 124.162 122.820 0.301 0.000 2.123 42 A HA 0.222 4.544 4.320 0.003 0.000 0.214 42 A C 2.087 179.851 177.584 0.299 0.000 1.152 42 A CA 1.267 53.509 52.037 0.343 0.000 0.728 42 A CB -0.288 18.839 19.000 0.213 0.000 0.814 42 A HN 0.202 nan 8.150 nan 0.000 0.464 43 V N -2.599 117.418 119.914 0.173 0.000 3.141 43 V HA -0.100 4.022 4.120 0.003 0.000 0.265 43 V C 1.733 177.638 176.094 -0.315 0.000 1.126 43 V CA 1.100 63.356 62.300 -0.072 0.000 1.141 43 V CB -1.397 30.296 31.823 -0.216 0.000 0.743 43 V HN 0.470 nan 8.190 nan 0.000 0.492 44 F N 0.021 119.942 119.950 -0.048 0.000 2.789 44 F HA 0.281 4.808 4.527 0.000 0.000 0.300 44 F C 1.546 177.165 175.800 -0.301 0.000 1.132 44 F CA -0.425 57.413 58.000 -0.269 0.000 1.404 44 F CB -0.163 38.559 39.000 -0.464 0.000 1.114 44 F HN -0.006 nan 8.300 nan 0.000 0.584 45 R N 0.634 121.172 120.500 0.064 0.000 2.491 45 R HA 0.249 4.591 4.340 0.003 0.000 0.283 45 R C 0.221 176.431 176.300 -0.149 0.000 1.072 45 R CA -0.055 56.071 56.100 0.044 0.000 1.048 45 R CB 0.939 31.337 30.300 0.162 0.000 0.983 45 R HN -0.029 nan 8.270 nan 0.000 0.450 46 S N 3.177 118.646 115.700 -0.384 0.000 2.456 46 S HA 0.469 4.941 4.470 0.003 0.000 0.316 46 S C -1.346 173.007 174.600 -0.412 0.000 1.089 46 S CA -0.564 57.427 58.200 -0.348 0.000 1.101 46 S CB 0.438 63.377 63.200 -0.435 0.000 0.995 46 S HN 0.438 nan 8.310 nan 0.000 0.468 47 Y N 3.003 123.259 120.300 -0.073 0.000 2.570 47 Y HA 0.643 5.191 4.550 -0.004 0.000 0.345 47 Y C -0.117 175.765 175.900 -0.029 0.000 1.014 47 Y CA -1.213 56.849 58.100 -0.064 0.000 1.063 47 Y CB 1.510 39.967 38.460 -0.006 0.000 1.272 47 Y HN 0.437 nan 8.280 nan 0.000 0.477 48 I N 2.839 123.483 120.570 0.122 0.000 2.439 48 I HA 0.208 4.380 4.170 0.003 0.000 0.283 48 I C -0.293 175.893 176.117 0.115 0.000 1.023 48 I CA -0.407 60.979 61.300 0.144 0.000 1.100 48 I CB 0.567 38.709 38.000 0.236 0.000 1.238 48 I HN 0.807 nan 8.210 nan 0.000 0.445 49 D N 3.945 124.412 120.400 0.113 0.000 3.955 49 D HA -0.251 4.390 4.640 0.003 0.000 0.142 49 D C 0.454 176.746 176.300 -0.014 0.000 0.877 49 D CA 1.534 55.570 54.000 0.060 0.000 1.100 49 D CB -0.167 40.685 40.800 0.086 0.000 0.533 49 D HN 0.533 nan 8.370 nan 0.000 0.546 50 D N 0.963 121.304 120.400 -0.098 0.000 2.395 50 D HA 0.124 4.765 4.640 0.003 0.000 0.213 50 D C 0.069 176.188 176.300 -0.302 0.000 1.110 50 D CA 0.139 53.978 54.000 -0.269 0.000 0.835 50 D CB 0.275 40.831 40.800 -0.406 0.000 0.965 50 D HN 0.129 nan 8.370 nan 0.000 0.505 51 E N 0.735 120.839 120.200 -0.161 0.000 2.167 51 E HA 0.079 4.430 4.350 0.003 0.000 0.284 51 E C -1.103 175.475 176.600 -0.036 0.000 1.016 51 E CA -0.689 55.581 56.400 -0.216 0.000 0.817 51 E CB 0.392 29.730 29.700 -0.604 0.000 1.080 51 E HN 0.001 nan 8.360 nan 0.000 0.397 52 Y N 5.795 126.000 120.300 -0.157 0.000 2.436 52 Y HA 0.054 4.614 4.550 0.017 0.000 0.336 52 Y C 0.608 176.279 175.900 -0.382 0.000 1.049 52 Y CA 0.008 57.808 58.100 -0.501 0.000 1.294 52 Y CB 0.603 38.793 38.460 -0.451 0.000 1.179 52 Y HN 0.615 nan 8.280 nan 0.000 0.520 53 M N 4.285 123.378 119.600 -0.846 0.000 2.447 53 M HA 0.295 4.777 4.480 0.003 0.000 0.266 53 M C 0.963 176.811 176.300 -0.753 0.000 1.120 53 M CA 1.154 56.080 55.300 -0.624 0.000 1.166 53 M CB -0.648 31.749 32.600 -0.340 0.000 1.349 53 M HN 0.888 nan 8.290 nan 0.000 0.463 54 G N -1.131 106.897 108.800 -1.286 0.000 2.339 54 G HA2 0.028 3.989 3.960 0.003 0.000 0.275 54 G HA3 0.028 3.989 3.960 0.003 0.000 0.275 54 G C -1.630 173.015 174.900 -0.425 0.000 1.323 54 G CA -0.881 43.742 45.100 -0.795 0.000 0.927 54 G HN 0.330 nan 8.290 nan 0.000 0.486 55 H N 1.222 120.210 119.070 -0.136 0.000 2.489 55 H HA 0.607 5.164 4.556 0.002 0.000 0.322 55 H C 0.481 175.769 175.328 -0.067 0.000 1.091 55 H CA -0.214 55.832 56.048 -0.003 0.000 1.291 55 H CB 0.803 30.640 29.762 0.126 0.000 1.436 55 H HN 0.424 nan 8.280 nan 0.000 0.480 56 K N 4.403 124.480 120.400 -0.538 0.000 2.368 56 K HA 0.011 4.333 4.320 0.003 0.000 0.282 56 K C -0.750 175.820 176.600 -0.049 0.000 1.035 56 K CA 0.395 56.106 56.287 -0.960 0.000 0.973 56 K CB 0.670 32.097 32.500 -1.788 0.000 0.957 56 K HN 0.622 nan 8.250 nan 0.000 0.474 57 W N 3.639 125.109 121.300 0.283 0.000 2.104 57 W HA 0.145 4.809 4.660 0.007 0.000 0.291 57 W C -0.178 176.454 176.519 0.189 0.000 0.936 57 W CA -0.724 56.682 57.345 0.101 0.000 1.856 57 W CB 0.852 30.251 29.460 -0.102 0.000 2.036 57 W HN 0.368 nan 8.180 nan 0.000 0.393 58 Q N 0.086 120.132 119.800 0.409 0.000 2.396 58 Q HA 0.095 4.437 4.340 0.003 0.000 0.221 58 Q C 1.653 177.849 176.000 0.328 0.000 1.025 58 Q CA 0.031 56.058 55.803 0.373 0.000 0.946 58 Q CB 1.046 29.997 28.738 0.354 0.000 1.224 58 Q HN 0.582 nan 8.270 nan 0.000 0.539 59 C N -1.467 118.006 119.300 0.288 0.000 2.398 59 C HA -0.124 4.337 4.460 0.003 0.000 0.276 59 C C 2.432 177.575 174.990 0.255 0.000 1.222 59 C CA 0.472 59.634 59.018 0.240 0.000 1.746 59 C CB -1.371 26.454 27.740 0.142 0.000 2.039 59 C HN 0.637 nan 8.230 nan 0.000 0.470 60 V N 1.592 121.649 119.914 0.237 0.000 2.343 60 V HA -0.214 3.908 4.120 0.003 0.000 0.247 60 V C 3.106 179.363 176.094 0.273 0.000 1.051 60 V CA 2.429 64.903 62.300 0.289 0.000 1.036 60 V CB -0.867 31.114 31.823 0.263 0.000 0.654 60 V HN 0.606 nan 8.190 nan 0.000 0.451 61 E N -0.015 120.315 120.200 0.216 0.000 2.085 61 E HA -0.261 4.091 4.350 0.003 0.000 0.194 61 E C 2.139 178.874 176.600 0.226 0.000 0.994 61 E CA 1.804 58.288 56.400 0.140 0.000 0.801 61 E CB -0.281 29.506 29.700 0.145 0.000 0.743 61 E HN 0.577 nan 8.360 nan 0.000 0.453 62 F N 1.220 121.299 119.950 0.216 0.000 2.102 62 F HA -0.102 4.427 4.527 0.003 0.000 0.298 62 F C 2.229 178.167 175.800 0.231 0.000 1.105 62 F CA 1.865 59.994 58.000 0.214 0.000 1.239 62 F CB -0.654 38.444 39.000 0.163 0.000 0.991 62 F HN 0.058 nan 8.300 nan 0.000 0.474 63 A N 0.687 123.578 122.820 0.119 0.000 1.908 63 A HA -0.227 4.095 4.320 0.003 0.000 0.218 63 A C 2.426 180.115 177.584 0.175 0.000 1.181 63 A CA 1.889 54.000 52.037 0.123 0.000 0.627 63 A CB -0.912 18.301 19.000 0.356 0.000 0.818 63 A HN 0.504 nan 8.150 nan 0.000 0.445 64 R N -0.727 119.835 120.500 0.103 0.000 2.073 64 R HA -0.086 4.256 4.340 0.003 0.000 0.229 64 R C 2.445 178.708 176.300 -0.061 0.000 1.120 64 R CA 1.463 57.455 56.100 -0.180 0.000 0.967 64 R CB -0.241 29.742 30.300 -0.527 0.000 0.862 64 R HN 0.543 nan 8.270 nan 0.000 0.436 65 R N -0.521 119.953 120.500 -0.043 0.000 2.092 65 R HA -0.152 4.190 4.340 0.003 0.000 0.231 65 R C 2.021 178.313 176.300 -0.014 0.000 1.119 65 R CA 1.585 57.699 56.100 0.023 0.000 0.970 65 R CB -0.392 29.950 30.300 0.070 0.000 0.864 65 R HN 0.263 nan 8.270 nan 0.000 0.440 66 F N 0.972 120.728 119.950 -0.324 0.000 2.075 66 F HA -0.144 4.383 4.527 0.001 0.000 0.297 66 F C 1.745 177.397 175.800 -0.246 0.000 1.113 66 F CA 1.495 59.273 58.000 -0.371 0.000 1.218 66 F CB -0.119 38.512 39.000 -0.615 0.000 0.984 66 F HN -0.029 nan 8.300 nan 0.000 0.472 67 L N -0.860 120.478 121.223 0.192 0.000 2.131 67 L HA -0.214 4.128 4.340 0.003 0.000 0.210 67 L C 2.354 179.261 176.870 0.062 0.000 1.092 67 L CA 1.302 56.265 54.840 0.205 0.000 0.759 67 L CB -0.833 41.465 42.059 0.397 0.000 0.903 67 L HN 0.283 nan 8.230 nan 0.000 0.435 68 F N 0.494 120.390 119.950 -0.090 0.000 2.234 68 F HA -0.070 4.463 4.527 0.010 0.000 0.296 68 F C 2.110 177.826 175.800 -0.139 0.000 1.089 68 F CA 1.150 59.102 58.000 -0.080 0.000 1.343 68 F CB -0.064 38.892 39.000 -0.072 0.000 1.040 68 F HN -0.153 nan 8.300 nan 0.000 0.498 69 L N -0.021 121.026 121.223 -0.293 0.000 2.156 69 L HA -0.133 4.209 4.340 0.003 0.000 0.208 69 L C 1.641 178.205 176.870 -0.511 0.000 1.095 69 L CA 1.581 56.165 54.840 -0.426 0.000 0.770 69 L CB -0.639 41.266 42.059 -0.256 0.000 0.914 69 L HN 0.181 nan 8.230 nan 0.000 0.439 70 N N -1.759 116.520 118.700 -0.703 0.000 2.409 70 N HA -0.027 4.715 4.740 0.003 0.000 0.174 70 N C 0.657 175.791 175.510 -0.628 0.000 1.037 70 N CA 0.549 53.095 53.050 -0.841 0.000 0.898 70 N CB 0.338 37.959 38.487 -1.444 0.000 1.010 70 N HN 0.304 nan 8.380 nan 0.000 0.445 71 Y N -1.513 118.700 120.300 -0.145 0.000 2.563 71 Y HA 0.359 4.910 4.550 0.001 0.000 0.250 71 Y C 1.216 177.079 175.900 -0.061 0.000 1.126 71 Y CA -0.564 57.499 58.100 -0.061 0.000 1.231 71 Y CB 0.957 39.434 38.460 0.028 0.000 1.288 71 Y HN -0.094 nan 8.280 nan 0.000 0.537 72 G N 2.010 110.753 108.800 -0.093 0.000 2.283 72 G HA2 -0.241 3.720 3.960 0.003 0.000 0.280 72 G HA3 -0.241 3.720 3.960 0.003 0.000 0.280 72 G C -0.095 174.917 174.900 0.186 0.000 1.029 72 G CA 0.645 45.681 45.100 -0.106 0.000 0.840 72 G HN 0.490 nan 8.290 nan 0.000 0.505 73 V N -4.163 115.910 119.914 0.265 0.000 3.074 73 V HA 0.955 5.076 4.120 0.003 0.000 0.314 73 V C -0.017 176.243 176.094 0.277 0.000 1.117 73 V CA -0.930 61.535 62.300 0.275 0.000 1.014 73 V CB 2.318 34.294 31.823 0.255 0.000 1.057 73 V HN 0.906 nan 8.190 nan 0.000 0.438 74 V N 2.248 122.280 119.914 0.198 0.000 3.147 74 V HA 0.771 4.893 4.120 0.003 0.000 0.306 74 V C -1.209 174.948 176.094 0.105 0.000 1.209 74 V CA -0.629 61.705 62.300 0.057 0.000 1.023 74 V CB 2.317 34.113 31.823 -0.045 0.000 1.059 74 V HN 1.161 nan 8.190 nan 0.000 0.435 75 F N 1.224 121.256 119.950 0.137 0.000 2.507 75 F HA 0.779 5.303 4.527 -0.004 0.000 0.327 75 F C 0.311 176.182 175.800 0.118 0.000 1.068 75 F CA -0.857 57.221 58.000 0.131 0.000 0.965 75 F CB 1.018 40.092 39.000 0.122 0.000 1.192 75 F HN 0.472 nan 8.300 nan 0.000 0.476 76 T N 0.958 115.717 114.554 0.341 0.000 2.855 76 T HA 0.018 4.369 4.350 0.003 0.000 0.322 76 T C -0.294 174.572 174.700 0.277 0.000 1.088 76 T CA 0.026 62.276 62.100 0.250 0.000 1.104 76 T CB 0.019 69.023 68.868 0.227 0.000 0.996 76 T HN 0.856 nan 8.240 nan 0.000 0.549 77 D N 0.655 121.170 120.400 0.193 0.000 2.449 77 D HA 0.311 4.953 4.640 0.003 0.000 0.236 77 D C -0.351 176.040 176.300 0.151 0.000 1.149 77 D CA 0.198 54.307 54.000 0.182 0.000 0.878 77 D CB 0.439 41.319 40.800 0.133 0.000 1.198 77 D HN 0.423 nan 8.370 nan 0.000 0.446 78 V N 0.706 120.698 119.914 0.129 0.000 2.971 78 V HA 0.713 4.835 4.120 0.003 0.000 0.309 78 V C 1.040 177.126 176.094 -0.014 0.000 1.130 78 V CA -0.194 62.118 62.300 0.021 0.000 0.964 78 V CB 1.320 33.130 31.823 -0.022 0.000 1.029 78 V HN 0.555 nan 8.190 nan 0.000 0.427 79 G N 2.763 111.506 108.800 -0.094 0.000 2.394 79 G HA2 0.156 4.117 3.960 0.003 0.000 0.214 79 G HA3 0.156 4.117 3.960 0.003 0.000 0.214 79 G C 0.554 175.401 174.900 -0.088 0.000 1.176 79 G CA 0.715 45.770 45.100 -0.076 0.000 0.786 79 G HN 0.595 nan 8.290 nan 0.000 0.533 80 M N -0.949 118.520 119.600 -0.218 0.000 2.591 80 M HA 0.527 5.009 4.480 0.003 0.000 0.306 80 M C 1.308 177.454 176.300 -0.257 0.000 1.190 80 M CA -0.743 54.447 55.300 -0.183 0.000 0.889 80 M CB 1.790 34.301 32.600 -0.149 0.000 1.728 80 M HN 0.092 nan 8.290 nan 0.000 0.458 81 A N 2.502 125.287 122.820 -0.058 0.000 1.917 81 A HA -0.151 4.171 4.320 0.003 0.000 0.219 81 A C 1.782 179.350 177.584 -0.028 0.000 1.182 81 A CA 2.277 54.301 52.037 -0.022 0.000 0.633 81 A CB -0.950 18.082 19.000 0.053 0.000 0.819 81 A HN 0.987 nan 8.150 nan 0.000 0.448 82 W N 0.604 121.950 121.300 0.077 0.000 2.341 82 W HA -0.191 4.477 4.660 0.014 0.000 0.283 82 W C 1.094 177.665 176.519 0.087 0.000 1.215 82 W CA 1.204 58.599 57.345 0.083 0.000 1.211 82 W CB -0.906 28.607 29.460 0.089 0.000 1.131 82 W HN 0.535 nan 8.180 nan 0.000 0.552 83 E N 1.146 120.941 120.200 -0.674 0.000 2.268 83 E HA -0.142 4.210 4.350 0.003 0.000 0.195 83 E C 2.117 178.613 176.600 -0.174 0.000 0.995 83 E CA 1.314 57.367 56.400 -0.577 0.000 0.836 83 E CB -0.375 28.852 29.700 -0.788 0.000 0.763 83 E HN 0.366 nan 8.360 nan 0.000 0.491 84 I N 0.627 121.113 120.570 -0.141 0.000 2.264 84 I HA -0.268 3.903 4.170 0.003 0.000 0.248 84 I C 2.134 178.239 176.117 -0.020 0.000 1.111 84 I CA 0.859 62.058 61.300 -0.167 0.000 1.382 84 I CB -0.254 37.538 38.000 -0.347 0.000 1.060 84 I HN 0.066 nan 8.210 nan 0.000 0.418 85 F N 1.482 121.394 119.950 -0.063 0.000 2.307 85 F HA -0.223 4.305 4.527 0.002 0.000 0.301 85 F C 2.440 178.213 175.800 -0.046 0.000 1.076 85 F CA 1.346 59.325 58.000 -0.035 0.000 1.383 85 F CB -0.291 38.725 39.000 0.028 0.000 1.055 85 F HN -0.028 nan 8.300 nan 0.000 0.526 86 S N -0.141 115.545 115.700 -0.023 0.000 2.528 86 S HA 0.170 4.642 4.470 0.003 0.000 0.219 86 S C 0.772 175.294 174.600 -0.130 0.000 0.985 86 S CA -0.188 57.960 58.200 -0.086 0.000 0.914 86 S CB -0.183 63.034 63.200 0.029 0.000 0.776 86 S HN 0.065 nan 8.310 nan 0.000 0.526 87 L N 1.901 123.054 121.223 -0.117 0.000 2.439 87 L HA 0.308 4.649 4.340 0.003 0.000 0.269 87 L C 1.257 178.032 176.870 -0.158 0.000 1.179 87 L CA -0.161 54.627 54.840 -0.086 0.000 0.828 87 L CB 0.318 42.367 42.059 -0.017 0.000 1.106 87 L HN 0.010 nan 8.230 nan 0.000 0.467 88 R N 2.756 123.148 120.500 -0.180 0.000 2.600 88 R HA 0.400 4.742 4.340 0.003 0.000 0.392 88 R C -0.990 175.094 176.300 -0.360 0.000 1.032 88 R CA 0.004 55.899 56.100 -0.342 0.000 1.139 88 R CB 0.492 30.483 30.300 -0.514 0.000 1.400 88 R HN 0.474 nan 8.270 nan 0.000 0.566 89 F N -0.030 119.940 119.950 0.034 0.000 2.668 89 F HA 0.488 5.012 4.527 -0.005 0.000 0.309 89 F C -0.628 175.239 175.800 0.112 0.000 1.117 89 F CA -1.133 56.907 58.000 0.067 0.000 0.951 89 F CB 2.229 41.274 39.000 0.075 0.000 1.323 89 F HN -0.333 nan 8.300 nan 0.000 0.451 90 L N 2.000 123.436 121.223 0.355 0.000 2.370 90 L HA 0.578 4.919 4.340 0.003 0.000 0.266 90 L C -0.577 176.402 176.870 0.181 0.000 1.002 90 L CA -0.863 54.140 54.840 0.272 0.000 0.818 90 L CB 2.431 44.645 42.059 0.259 0.000 1.325 90 L HN 0.519 nan 8.230 nan 0.000 0.418 91 R N 1.911 122.511 120.500 0.168 0.000 2.297 91 R HA 0.219 4.560 4.340 0.003 0.000 0.308 91 R C -0.462 175.920 176.300 0.136 0.000 1.029 91 R CA -0.446 55.725 56.100 0.119 0.000 0.929 91 R CB 1.066 31.441 30.300 0.125 0.000 1.046 91 R HN 0.587 nan 8.270 nan 0.000 0.461 92 E N 3.863 124.130 120.200 0.112 0.000 2.044 92 E HA 0.055 4.406 4.350 0.003 0.000 0.282 92 E C 0.756 177.437 176.600 0.135 0.000 1.031 92 E CA -0.391 56.084 56.400 0.126 0.000 0.824 92 E CB 1.118 30.874 29.700 0.093 0.000 1.076 92 E HN 0.549 nan 8.360 nan 0.000 0.395 93 V N 4.610 124.633 119.914 0.182 0.000 2.282 93 V HA -0.279 3.842 4.120 0.003 0.000 0.249 93 V C 2.202 178.375 176.094 0.132 0.000 1.057 93 V CA 2.041 64.455 62.300 0.189 0.000 1.032 93 V CB -0.624 31.410 31.823 0.353 0.000 0.645 93 V HN 0.805 nan 8.190 nan 0.000 0.447 94 V N 0.562 120.544 119.914 0.113 0.000 2.720 94 V HA -0.182 3.939 4.120 0.003 0.000 0.256 94 V C 1.381 177.502 176.094 0.044 0.000 1.082 94 V CA 2.351 64.691 62.300 0.067 0.000 1.101 94 V CB -1.212 30.639 31.823 0.047 0.000 0.693 94 V HN 0.921 nan 8.190 nan 0.000 0.479 95 N N -2.093 116.642 118.700 0.059 0.000 2.194 95 N HA 0.072 4.814 4.740 0.003 0.000 0.231 95 N C -0.087 175.481 175.510 0.096 0.000 1.247 95 N CA 0.295 53.380 53.050 0.059 0.000 0.884 95 N CB 0.398 38.916 38.487 0.053 0.000 1.146 95 N HN 0.254 nan 8.380 nan 0.000 0.516 96 D N 0.991 121.454 120.400 0.104 0.000 2.811 96 D HA -0.192 4.449 4.640 0.003 0.000 0.231 96 D C -0.439 176.012 176.300 0.251 0.000 1.157 96 D CA 0.954 55.048 54.000 0.157 0.000 0.716 96 D CB -1.326 39.577 40.800 0.173 0.000 1.077 96 D HN 0.570 nan 8.370 nan 0.000 0.428 97 N N 0.109 118.909 118.700 0.168 0.000 2.483 97 N HA 0.268 5.010 4.740 0.003 0.000 0.269 97 N C -0.489 174.986 175.510 -0.058 0.000 1.209 97 N CA -0.202 52.920 53.050 0.120 0.000 0.969 97 N CB 0.557 39.093 38.487 0.081 0.000 1.173 97 N HN -0.023 nan 8.380 nan 0.000 0.475 98 I N 3.288 123.677 120.570 -0.303 0.000 2.355 98 I HA 0.300 4.472 4.170 0.003 0.000 0.288 98 I C -0.520 175.410 176.117 -0.311 0.000 0.999 98 I CA -0.447 60.609 61.300 -0.407 0.000 1.163 98 I CB 0.552 38.075 38.000 -0.795 0.000 1.316 98 I HN 0.463 nan 8.210 nan 0.000 0.454 99 L N 8.182 129.358 121.223 -0.078 0.000 2.322 99 L HA 0.520 4.861 4.340 0.003 0.000 0.279 99 L C -2.148 174.921 176.870 0.331 0.000 1.036 99 L CA -1.827 53.060 54.840 0.078 0.000 0.807 99 L CB 1.518 43.638 42.059 0.103 0.000 1.226 99 L HN 0.329 nan 8.230 nan 0.000 0.433 100 P HA 0.103 nan 4.420 nan 0.000 0.271 100 P C -1.102 176.319 177.300 0.200 0.000 1.216 100 P CA -0.248 63.092 63.100 0.400 0.000 0.771 100 P CB 1.530 33.376 31.700 0.243 0.000 0.864 101 L N 3.984 125.263 121.223 0.093 0.000 2.356 101 L HA 0.381 4.722 4.340 0.003 0.000 0.277 101 L C -0.484 176.321 176.870 -0.107 0.000 0.996 101 L CA -0.308 54.555 54.840 0.039 0.000 0.822 101 L CB 1.700 43.803 42.059 0.073 0.000 1.256 101 L HN 0.249 nan 8.230 nan 0.000 0.413 102 Q N 3.566 123.297 119.800 -0.115 0.000 2.257 102 Q HA 0.790 5.132 4.340 0.003 0.000 0.262 102 Q C -0.838 174.841 176.000 -0.536 0.000 0.997 102 Q CA -0.677 54.898 55.803 -0.379 0.000 0.873 102 Q CB 2.051 30.520 28.738 -0.449 0.000 1.312 102 Q HN 0.773 nan 8.270 nan 0.000 0.450 103 A N 1.734 124.061 122.820 -0.823 0.000 2.330 103 A HA 0.823 5.145 4.320 0.003 0.000 0.327 103 A C -1.228 175.768 177.584 -0.981 0.000 1.155 103 A CA -0.477 51.078 52.037 -0.804 0.000 0.803 103 A CB 0.565 18.923 19.000 -1.070 0.000 1.208 103 A HN 0.533 nan 8.150 nan 0.000 0.477 104 F N 2.647 122.467 119.950 -0.217 0.000 2.547 104 F HA 0.503 5.033 4.527 0.004 0.000 0.316 104 F C -2.215 173.355 175.800 -0.382 0.000 1.121 104 F CA -2.203 55.619 58.000 -0.296 0.000 0.911 104 F CB 2.541 41.319 39.000 -0.371 0.000 1.179 104 F HN 0.354 nan 8.300 nan 0.000 0.443 105 P HA 0.003 nan 4.420 nan 0.000 0.275 105 P C -0.501 176.528 177.300 -0.452 0.000 1.228 105 P CA -0.289 62.721 63.100 -0.149 0.000 0.786 105 P CB 0.878 32.553 31.700 -0.041 0.000 0.927 106 N N 1.812 120.255 118.700 -0.429 0.000 2.357 106 N HA 0.126 4.868 4.740 0.003 0.000 0.257 106 N C 0.722 176.174 175.510 -0.097 0.000 1.250 106 N CA 1.837 54.709 53.050 -0.297 0.000 0.862 106 N CB -0.704 37.709 38.487 -0.124 0.000 1.066 106 N HN 0.760 nan 8.380 nan 0.000 0.468 107 G N 1.370 110.224 108.800 0.090 0.000 2.756 107 G HA2 -0.092 3.869 3.960 0.003 0.000 0.272 107 G HA3 -0.092 3.869 3.960 0.003 0.000 0.272 107 G C -0.414 174.529 174.900 0.071 0.000 1.128 107 G CA 0.187 45.350 45.100 0.105 0.000 1.145 107 G HN 0.815 nan 8.290 nan 0.000 0.545 108 S N 0.763 116.571 115.700 0.180 0.000 2.570 108 S HA 0.859 5.331 4.470 0.003 0.000 0.286 108 S C -1.600 173.061 174.600 0.101 0.000 1.099 108 S CA -1.103 57.159 58.200 0.104 0.000 0.913 108 S CB 2.119 65.354 63.200 0.058 0.000 1.085 108 S HN -0.022 nan 8.310 nan 0.000 0.480 109 P HA 0.100 nan 4.420 nan 0.000 0.229 109 P C -0.099 176.996 177.300 -0.341 0.000 1.160 109 P CA 0.398 63.248 63.100 -0.416 0.000 0.777 109 P CB 0.067 31.070 31.700 -1.162 0.000 0.814 110 R N 1.221 121.560 120.500 -0.268 0.000 2.210 110 R HA 0.481 4.823 4.340 0.003 0.000 0.338 110 R C -0.396 175.852 176.300 -0.086 0.000 1.062 110 R CA -0.702 55.290 56.100 -0.179 0.000 0.902 110 R CB -0.902 29.085 30.300 -0.522 0.000 1.050 110 R HN -0.080 nan 8.270 nan 0.000 0.461 111 A N 6.879 129.416 122.820 -0.471 0.000 2.445 111 A HA 0.361 4.683 4.320 0.003 0.000 0.242 111 A C -2.022 175.129 177.584 -0.721 0.000 1.075 111 A CA -1.228 50.225 52.037 -0.973 0.000 0.777 111 A CB -0.158 18.001 19.000 -1.401 0.000 1.013 111 A HN 0.728 nan 8.150 nan 0.000 0.493 112 P HA 0.185 nan 4.420 nan 0.000 0.279 112 P C -0.122 176.816 177.300 -0.602 0.000 1.318 112 P CA 0.178 62.500 63.100 -1.296 0.000 0.819 112 P CB 0.853 31.505 31.700 -1.746 0.000 0.927 113 V N 4.152 123.855 119.914 -0.353 0.000 3.170 113 V HA 0.571 4.692 4.120 0.003 0.000 0.309 113 V C 0.349 176.377 176.094 -0.109 0.000 1.071 113 V CA -0.633 61.546 62.300 -0.202 0.000 1.063 113 V CB 1.269 33.013 31.823 -0.132 0.000 1.123 113 V HN 0.671 nan 8.190 nan 0.000 0.464 114 A N 2.763 125.554 122.820 -0.048 0.000 2.445 114 A HA 0.554 4.875 4.320 0.003 0.000 0.242 114 A C 1.411 179.054 177.584 0.098 0.000 1.075 114 A CA 0.543 52.599 52.037 0.033 0.000 0.777 114 A CB -0.135 18.904 19.000 0.065 0.000 1.013 114 A HN 2.482 nan 8.150 nan 0.000 0.493 115 G N 0.196 109.108 108.800 0.186 0.000 2.258 115 G HA2 0.137 4.098 3.960 0.003 0.000 0.233 115 G HA3 0.137 4.098 3.960 0.003 0.000 0.233 115 G C 0.705 175.745 174.900 0.233 0.000 1.006 115 G CA 0.429 45.726 45.100 0.328 0.000 0.620 115 G HN 2.226 nan 8.290 nan 0.000 0.511 116 A N 0.663 123.563 122.820 0.133 0.000 2.445 116 A HA 0.649 4.970 4.320 0.003 0.000 0.242 116 A C 0.660 178.353 177.584 0.183 0.000 1.075 116 A CA 0.137 52.272 52.037 0.164 0.000 0.777 116 A CB 0.269 19.357 19.000 0.148 0.000 1.013 116 A HN 0.935 nan 8.150 nan 0.000 0.493 117 L N 1.401 122.757 121.223 0.222 0.000 2.380 117 L HA 0.301 4.643 4.340 0.003 0.000 0.273 117 L C -0.260 176.754 176.870 0.239 0.000 1.138 117 L CA -0.299 54.659 54.840 0.197 0.000 0.832 117 L CB 0.932 43.085 42.059 0.156 0.000 1.124 117 L HN 0.657 nan 8.230 nan 0.000 0.454 118 L N 5.444 126.794 121.223 0.212 0.000 2.343 118 L HA 0.539 4.880 4.340 0.003 0.000 0.278 118 L C -0.710 176.261 176.870 0.170 0.000 0.996 118 L CA -0.157 54.807 54.840 0.206 0.000 0.831 118 L CB 1.098 43.288 42.059 0.218 0.000 1.232 118 L HN 0.261 nan 8.230 nan 0.000 0.413 119 I N 4.150 124.743 120.570 0.038 0.000 2.441 119 I HA 0.321 4.493 4.170 0.003 0.000 0.295 119 I C -0.404 175.645 176.117 -0.113 0.000 0.994 119 I CA -0.659 60.669 61.300 0.047 0.000 1.144 119 I CB 1.385 39.416 38.000 0.051 0.000 1.314 119 I HN 0.566 nan 8.210 nan 0.000 0.445 120 W N 3.375 124.659 121.300 -0.026 0.000 2.512 120 W HA 0.230 4.890 4.660 0.000 0.000 0.335 120 W C 0.224 176.785 176.519 0.070 0.000 1.088 120 W CA -0.125 57.240 57.345 0.035 0.000 1.236 120 W CB 2.082 31.594 29.460 0.088 0.000 1.307 120 W HN 0.472 nan 8.180 nan 0.000 0.567 121 D N 1.626 122.153 120.400 0.212 0.000 2.423 121 D HA 0.133 4.774 4.640 0.003 0.000 0.255 121 D C -0.182 176.244 176.300 0.211 0.000 1.174 121 D CA -0.146 53.947 54.000 0.156 0.000 1.008 121 D CB 1.062 41.853 40.800 -0.015 0.000 1.101 121 D HN 0.223 nan 8.370 nan 0.000 0.516 122 K N -0.187 120.227 120.400 0.024 0.000 2.258 122 K HA 0.546 4.867 4.320 0.003 0.000 0.264 122 K C 0.244 176.882 176.600 0.064 0.000 1.007 122 K CA -0.629 55.706 56.287 0.079 0.000 0.941 122 K CB 0.506 32.958 32.500 -0.079 0.000 0.966 122 K HN 0.524 nan 8.250 nan 0.000 0.480 123 G N -0.152 108.711 108.800 0.105 0.000 2.535 123 G HA2 0.367 4.328 3.960 0.003 0.000 0.662 123 G HA3 0.367 4.328 3.960 0.003 0.000 0.662 123 G C 0.217 175.147 174.900 0.050 0.000 1.417 123 G CA -0.199 44.937 45.100 0.059 0.000 0.866 123 G HN 1.201 nan 8.290 nan 0.000 0.647 124 G N 1.174 109.964 108.800 -0.016 0.000 2.561 124 G HA2 -0.094 3.867 3.960 0.003 0.000 0.289 124 G HA3 -0.094 3.867 3.960 0.003 0.000 0.289 124 G C 1.197 175.962 174.900 -0.225 0.000 1.169 124 G CA 1.287 46.334 45.100 -0.088 0.000 0.980 124 G HN 2.055 nan 8.290 nan 0.000 0.550 125 E N 0.467 120.384 120.200 -0.471 0.000 2.171 125 E HA 0.005 4.357 4.350 0.003 0.000 0.197 125 E C 1.656 177.733 176.600 -0.871 0.000 0.997 125 E CA 1.881 57.732 56.400 -0.914 0.000 0.810 125 E CB -0.300 28.287 29.700 -1.855 0.000 0.738 125 E HN 0.481 nan 8.360 nan 0.000 0.467 126 F N 0.162 119.994 119.950 -0.196 0.000 2.983 126 F HA 0.316 4.846 4.527 0.004 0.000 0.307 126 F C 1.303 177.102 175.800 -0.000 0.000 1.218 126 F CA -0.768 57.172 58.000 -0.099 0.000 1.323 126 F CB 0.297 39.266 39.000 -0.051 0.000 0.989 126 F HN -0.174 nan 8.300 nan 0.000 0.509 127 K N 0.627 121.067 120.400 0.068 0.000 2.032 127 K HA -0.318 4.004 4.320 0.003 0.000 0.225 127 K C 1.119 177.781 176.600 0.103 0.000 0.881 127 K CA 2.478 58.800 56.287 0.058 0.000 1.002 127 K CB -0.206 32.308 32.500 0.024 0.000 0.748 127 K HN 0.352 nan 8.250 nan 0.000 0.569 128 D N -1.598 118.878 120.400 0.128 0.000 2.323 128 D HA -0.033 4.609 4.640 0.003 0.000 0.218 128 D C 2.028 178.500 176.300 0.286 0.000 0.973 128 D CA 1.574 55.670 54.000 0.160 0.000 0.890 128 D CB -0.059 40.815 40.800 0.124 0.000 1.011 128 D HN 0.498 nan 8.370 nan 0.000 0.499 129 T N -1.212 113.508 114.554 0.277 0.000 2.821 129 T HA 0.193 4.544 4.350 0.003 0.000 0.267 129 T C 1.405 176.354 174.700 0.415 0.000 1.046 129 T CA 1.150 63.433 62.100 0.305 0.000 1.139 129 T CB -0.077 68.927 68.868 0.226 0.000 0.871 129 T HN 0.307 nan 8.240 nan 0.000 0.454 130 G N 0.999 110.042 108.800 0.405 0.000 2.584 130 G HA2 -0.055 3.907 3.960 0.003 0.000 0.229 130 G HA3 -0.055 3.907 3.960 0.003 0.000 0.229 130 G C -0.441 174.578 174.900 0.198 0.000 1.320 130 G CA -0.044 45.302 45.100 0.410 0.000 0.891 130 G HN 1.092 nan 8.290 nan 0.000 0.573 131 H N -2.173 116.883 119.070 -0.024 0.000 2.987 131 H HA 0.578 5.136 4.556 0.003 0.000 0.316 131 H C -1.781 173.564 175.328 0.028 0.000 1.380 131 H CA -0.014 55.835 56.048 -0.331 0.000 1.160 131 H CB 1.867 30.729 29.762 -1.499 0.000 1.865 131 H HN 1.383 nan 8.280 nan 0.000 0.521 132 V N 1.822 121.306 119.914 -0.716 0.000 2.808 132 V HA 0.834 4.956 4.120 0.003 0.000 0.308 132 V C -1.411 174.409 176.094 -0.456 0.000 1.099 132 V CA 0.375 62.493 62.300 -0.304 0.000 0.920 132 V CB 1.285 33.060 31.823 -0.079 0.000 1.014 132 V HN 1.012 nan 8.190 nan 0.000 0.425 133 A N 6.342 129.164 122.820 0.003 0.000 2.530 133 A HA 0.956 5.278 4.320 0.003 0.000 0.288 133 A C -1.549 176.146 177.584 0.184 0.000 1.172 133 A CA -0.757 51.359 52.037 0.131 0.000 0.733 133 A CB 1.833 20.992 19.000 0.266 0.000 1.320 133 A HN 0.718 nan 8.150 nan 0.000 0.419 134 I N 0.964 121.631 120.570 0.162 0.000 2.433 134 I HA 0.361 4.533 4.170 0.003 0.000 0.292 134 I C -0.453 175.677 176.117 0.021 0.000 1.001 134 I CA -0.388 60.916 61.300 0.007 0.000 1.119 134 I CB 1.407 39.192 38.000 -0.359 0.000 1.289 134 I HN 0.518 nan 8.210 nan 0.000 0.438 135 I N 5.445 126.030 120.570 0.026 0.000 2.396 135 I HA 0.035 4.207 4.170 0.003 0.000 0.289 135 I C 1.516 177.648 176.117 0.025 0.000 1.056 135 I CA 0.144 61.459 61.300 0.024 0.000 1.365 135 I CB 1.303 39.294 38.000 -0.016 0.000 1.407 135 I HN 0.722 nan 8.210 nan 0.000 0.509 136 T N 2.241 116.829 114.554 0.056 0.000 3.039 136 T HA 0.099 4.451 4.350 0.003 0.000 0.250 136 T C 0.386 175.148 174.700 0.102 0.000 1.052 136 T CA 0.069 62.238 62.100 0.115 0.000 1.125 136 T CB 0.221 69.199 68.868 0.183 0.000 0.908 136 T HN 0.683 nan 8.240 nan 0.000 0.473 137 Q N 0.226 120.060 119.800 0.056 0.000 2.352 137 Q HA 0.652 4.993 4.340 0.003 0.000 0.270 137 Q C -2.068 173.967 176.000 0.057 0.000 1.006 137 Q CA -1.168 54.663 55.803 0.046 0.000 0.880 137 Q CB 1.640 30.426 28.738 0.079 0.000 1.392 137 Q HN 0.188 nan 8.270 nan 0.000 0.401 138 L N 2.131 123.351 121.223 -0.005 0.000 2.317 138 L HA 0.610 4.952 4.340 0.003 0.000 0.281 138 L C -1.173 175.697 176.870 -0.001 0.000 1.024 138 L CA 0.141 54.983 54.840 0.003 0.000 0.810 138 L CB 1.139 43.133 42.059 -0.109 0.000 1.240 138 L HN 0.822 nan 8.230 nan 0.000 0.427 139 H N 1.586 120.603 119.070 -0.090 0.000 3.315 139 H HA 0.608 5.165 4.556 0.002 0.000 0.280 139 H C 0.782 176.088 175.328 -0.037 0.000 1.664 139 H CA 0.004 56.013 56.048 -0.065 0.000 1.531 139 H CB 0.711 30.425 29.762 -0.080 0.000 1.673 139 H HN 0.582 nan 8.280 nan 0.000 0.857 140 G N -1.057 107.819 108.800 0.126 0.000 2.492 140 G HA2 -0.123 3.839 3.960 0.003 0.000 0.214 140 G HA3 -0.123 3.839 3.960 0.003 0.000 0.214 140 G C 0.548 175.473 174.900 0.042 0.000 1.147 140 G CA 0.618 45.756 45.100 0.063 0.000 0.809 140 G HN 0.751 nan 8.290 nan 0.000 0.533 141 N N -1.239 117.481 118.700 0.033 0.000 2.197 141 N HA 0.239 4.981 4.740 0.003 0.000 0.228 141 N C 0.053 175.541 175.510 -0.036 0.000 1.212 141 N CA -0.475 52.571 53.050 -0.007 0.000 0.883 141 N CB 0.447 38.922 38.487 -0.020 0.000 1.107 141 N HN 0.410 nan 8.380 nan 0.000 0.519 142 K N -0.914 119.461 120.400 -0.041 0.000 2.735 142 K HA 0.493 4.815 4.320 0.003 0.000 0.295 142 K C -1.607 174.934 176.600 -0.098 0.000 1.052 142 K CA -0.995 55.230 56.287 -0.105 0.000 0.853 142 K CB 1.448 33.821 32.500 -0.212 0.000 1.535 142 K HN -0.055 nan 8.250 nan 0.000 0.383 143 V N -1.985 117.851 119.914 -0.130 0.000 3.007 143 V HA 0.708 4.830 4.120 0.003 0.000 0.311 143 V C -1.119 174.875 176.094 -0.168 0.000 1.120 143 V CA -1.072 61.167 62.300 -0.103 0.000 0.980 143 V CB 1.945 33.708 31.823 -0.099 0.000 1.033 143 V HN 0.838 nan 8.190 nan 0.000 0.429 144 R N 2.294 122.698 120.500 -0.160 0.000 2.664 144 R HA 0.872 5.214 4.340 0.003 0.000 0.286 144 R C -0.598 175.697 176.300 -0.008 0.000 0.967 144 R CA -0.545 55.419 56.100 -0.226 0.000 0.933 144 R CB 1.996 32.008 30.300 -0.479 0.000 1.146 144 R HN 0.979 nan 8.270 nan 0.000 0.468 145 I N -1.800 118.830 120.570 0.101 0.000 3.074 145 I HA 0.879 5.051 4.170 0.003 0.000 0.310 145 I C -1.295 174.938 176.117 0.194 0.000 1.153 145 I CA -1.159 60.234 61.300 0.155 0.000 0.993 145 I CB 2.536 40.660 38.000 0.206 0.000 1.237 145 I HN 0.624 nan 8.210 nan 0.000 0.443 146 A N 3.028 125.926 122.820 0.129 0.000 2.401 146 A HA 0.914 5.235 4.320 0.003 0.000 0.310 146 A C -0.826 176.674 177.584 -0.140 0.000 1.075 146 A CA -0.358 51.676 52.037 -0.004 0.000 0.746 146 A CB 1.536 20.578 19.000 0.071 0.000 1.277 146 A HN 0.972 nan 8.150 nan 0.000 0.425 147 E N 0.419 120.332 120.200 -0.479 0.000 2.432 147 E HA 0.286 4.637 4.350 0.003 0.000 0.279 147 E C -0.651 175.644 176.600 -0.510 0.000 1.099 147 E CA -0.640 55.535 56.400 -0.374 0.000 0.859 147 E CB 0.959 30.686 29.700 0.044 0.000 1.402 147 E HN 0.481 nan 8.360 nan 0.000 0.451 148 Q N -0.150 119.531 119.800 -0.198 0.000 2.431 148 Q HA 0.205 4.547 4.340 0.003 0.000 0.244 148 Q C 0.521 176.502 176.000 -0.031 0.000 0.880 148 Q CA 0.272 55.994 55.803 -0.135 0.000 0.954 148 Q CB 0.483 29.261 28.738 0.065 0.000 1.105 148 Q HN 0.578 nan 8.270 nan 0.000 0.558 149 N N -0.118 118.665 118.700 0.139 0.000 2.451 149 N HA 0.134 4.876 4.740 0.003 0.000 0.264 149 N C 0.056 175.662 175.510 0.160 0.000 1.167 149 N CA -0.163 52.979 53.050 0.154 0.000 0.898 149 N CB 0.720 39.374 38.487 0.278 0.000 1.176 149 N HN -0.015 nan 8.380 nan 0.000 0.507 150 V N -0.169 119.791 119.914 0.077 0.000 3.054 150 V HA 0.241 4.363 4.120 0.003 0.000 0.227 150 V C 0.371 176.562 176.094 0.161 0.000 1.252 150 V CA 0.233 62.608 62.300 0.124 0.000 1.279 150 V CB 0.450 32.320 31.823 0.079 0.000 1.118 150 V HN 0.228 nan 8.190 nan 0.000 0.504 151 I N 1.420 122.016 120.570 0.043 0.000 2.325 151 I HA 0.302 4.474 4.170 0.003 0.000 0.291 151 I C 0.369 176.466 176.117 -0.034 0.000 1.019 151 I CA 0.341 61.656 61.300 0.025 0.000 1.302 151 I CB 0.252 38.221 38.000 -0.053 0.000 1.401 151 I HN 0.365 nan 8.210 nan 0.000 0.485 152 H N 2.286 121.345 119.070 -0.018 0.000 2.592 152 H HA 0.178 4.735 4.556 0.002 0.000 0.279 152 H C 0.440 175.739 175.328 -0.048 0.000 1.089 152 H CA -0.115 55.917 56.048 -0.028 0.000 1.150 152 H CB 0.556 30.323 29.762 0.009 0.000 1.575 152 H HN 0.572 nan 8.280 nan 0.000 0.547 153 S N -0.230 115.487 115.700 0.028 0.000 2.537 153 S HA 0.517 4.989 4.470 0.003 0.000 0.301 153 S C -2.814 171.739 174.600 -0.078 0.000 1.092 153 S CA -1.923 56.267 58.200 -0.015 0.000 1.048 153 S CB 2.423 65.620 63.200 -0.004 0.000 1.053 153 S HN -0.135 nan 8.310 nan 0.000 0.501 154 P HA 0.084 nan 4.420 nan 0.000 0.266 154 P C -0.873 176.346 177.300 -0.134 0.000 1.180 154 P CA 0.165 63.194 63.100 -0.118 0.000 0.765 154 P CB 0.216 31.863 31.700 -0.089 0.000 0.806 155 L N 4.451 125.572 121.223 -0.170 0.000 2.358 155 L HA 0.478 4.820 4.340 0.003 0.000 0.268 155 L C -1.977 174.785 176.870 -0.181 0.000 1.032 155 L CA -2.441 52.278 54.840 -0.203 0.000 0.805 155 L CB 0.476 42.374 42.059 -0.268 0.000 1.253 155 L HN 0.205 nan 8.230 nan 0.000 0.452 156 P HA -0.008 nan 4.420 nan 0.000 0.261 156 P C -1.203 176.009 177.300 -0.146 0.000 1.183 156 P CA -0.222 62.777 63.100 -0.168 0.000 0.761 156 P CB 0.246 31.817 31.700 -0.214 0.000 0.785 157 Q N 2.666 122.411 119.800 -0.092 0.000 2.618 157 Q HA 0.173 4.515 4.340 0.003 0.000 0.344 157 Q C 1.697 177.661 176.000 -0.060 0.000 1.073 157 Q CA 1.782 57.547 55.803 -0.063 0.000 1.105 157 Q CB -0.936 27.778 28.738 -0.041 0.000 1.028 157 Q HN 0.793 nan 8.270 nan 0.000 0.397 158 G N 1.696 110.470 108.800 -0.042 0.000 2.189 158 G HA2 -0.389 3.573 3.960 0.003 0.000 0.267 158 G HA3 -0.389 3.573 3.960 0.003 0.000 0.267 158 G C 0.077 174.948 174.900 -0.049 0.000 0.975 158 G CA 0.388 45.472 45.100 -0.027 0.000 0.644 158 G HN 0.613 nan 8.290 nan 0.000 0.537 159 Q N 0.311 120.025 119.800 -0.143 0.000 2.295 159 Q HA 0.424 4.766 4.340 0.003 0.000 0.259 159 Q C 0.557 176.393 176.000 -0.273 0.000 0.976 159 Q CA -0.133 55.489 55.803 -0.303 0.000 0.923 159 Q CB 0.249 28.633 28.738 -0.590 0.000 1.185 159 Q HN 0.595 nan 8.270 nan 0.000 0.410 160 Q N 5.610 125.337 119.800 -0.121 0.000 2.302 160 Q HA 0.209 4.550 4.340 0.003 0.000 0.332 160 Q C -1.154 174.952 176.000 0.175 0.000 0.913 160 Q CA -0.240 55.591 55.803 0.047 0.000 1.098 160 Q CB 0.429 29.269 28.738 0.169 0.000 1.236 160 Q HN 0.514 nan 8.270 nan 0.000 0.436 161 W N -1.123 120.191 121.300 0.024 0.000 3.296 161 W HA 0.318 4.979 4.660 0.002 0.000 0.314 161 W C -0.022 176.478 176.519 -0.030 0.000 1.238 161 W CA -0.861 56.488 57.345 0.007 0.000 1.193 161 W CB 0.595 30.072 29.460 0.028 0.000 1.383 161 W HN -0.032 nan 8.180 nan 0.000 0.545 162 T N -1.145 113.560 114.554 0.251 0.000 3.039 162 T HA 0.327 4.678 4.350 0.003 0.000 0.250 162 T C 0.549 175.429 174.700 0.300 0.000 1.052 162 T CA 0.328 62.488 62.100 0.101 0.000 1.125 162 T CB 0.692 69.555 68.868 -0.008 0.000 0.908 162 T HN 0.435 nan 8.240 nan 0.000 0.473 163 R N 0.362 121.134 120.500 0.453 0.000 2.734 163 R HA 0.539 4.880 4.340 0.003 0.000 0.271 163 R C -1.564 174.850 176.300 0.191 0.000 1.021 163 R CA -0.814 55.489 56.100 0.338 0.000 0.893 163 R CB 1.945 32.353 30.300 0.180 0.000 1.244 163 R HN 0.342 nan 8.270 nan 0.000 0.464 164 E N 2.273 122.483 120.200 0.017 0.000 2.238 164 E HA 0.490 4.841 4.350 0.003 0.000 0.267 164 E C -0.860 175.704 176.600 -0.060 0.000 0.887 164 E CA -0.784 55.511 56.400 -0.174 0.000 0.769 164 E CB 2.356 31.829 29.700 -0.378 0.000 1.187 164 E HN 0.230 nan 8.360 nan 0.000 0.416 165 L N 1.288 122.486 121.223 -0.043 0.000 2.346 165 L HA 0.402 4.744 4.340 0.003 0.000 0.274 165 L C 0.203 177.054 176.870 -0.031 0.000 1.007 165 L CA -0.988 53.860 54.840 0.014 0.000 0.818 165 L CB 1.854 43.974 42.059 0.101 0.000 1.284 165 L HN 0.601 nan 8.230 nan 0.000 0.424 166 E N 3.333 123.524 120.200 -0.016 0.000 2.344 166 E HA 0.176 4.527 4.350 0.003 0.000 0.270 166 E C -1.017 175.579 176.600 -0.007 0.000 1.021 166 E CA -0.288 56.096 56.400 -0.026 0.000 0.887 166 E CB 1.094 30.785 29.700 -0.015 0.000 0.997 166 E HN 0.492 nan 8.360 nan 0.000 0.429 167 M N 6.242 125.832 119.600 -0.016 0.000 2.125 167 M HA 0.242 4.723 4.480 0.003 0.000 0.321 167 M C -1.238 175.065 176.300 0.005 0.000 0.983 167 M CA -0.900 54.403 55.300 0.005 0.000 0.934 167 M CB 1.216 33.817 32.600 0.002 0.000 1.542 167 M HN 0.350 nan 8.290 nan 0.000 0.424 168 V N 3.732 123.652 119.914 0.010 0.000 2.439 168 V HA 0.664 4.786 4.120 0.003 0.000 0.282 168 V C -0.625 175.434 176.094 -0.058 0.000 1.039 168 V CA -0.617 61.672 62.300 -0.018 0.000 0.913 168 V CB 1.157 32.974 31.823 -0.009 0.000 0.983 168 V HN 0.628 nan 8.190 nan 0.000 0.460 169 V N 4.695 124.538 119.914 -0.119 0.000 2.305 169 V HA 0.480 4.601 4.120 0.003 0.000 0.275 169 V C -0.076 175.894 176.094 -0.206 0.000 1.020 169 V CA -0.297 61.847 62.300 -0.260 0.000 0.811 169 V CB 0.485 32.106 31.823 -0.337 0.000 1.031 169 V HN 1.007 nan 8.190 nan 0.000 0.439 170 E N 3.148 123.242 120.200 -0.176 0.000 2.145 170 E HA 0.405 4.756 4.350 0.003 0.000 0.270 170 E C -0.382 176.141 176.600 -0.128 0.000 0.906 170 E CA -0.735 55.592 56.400 -0.121 0.000 0.761 170 E CB 1.197 30.853 29.700 -0.074 0.000 1.116 170 E HN 0.728 nan 8.360 nan 0.000 0.408 171 N N 2.185 120.819 118.700 -0.110 0.000 2.667 171 N HA -0.255 4.487 4.740 0.003 0.000 0.263 171 N C 0.728 176.173 175.510 -0.107 0.000 1.038 171 N CA 0.816 53.813 53.050 -0.089 0.000 0.749 171 N CB -0.826 37.627 38.487 -0.056 0.000 0.892 171 N HN 0.994 nan 8.380 nan 0.000 0.546 172 G N -1.468 107.239 108.800 -0.154 0.000 2.228 172 G HA2 -0.399 3.562 3.960 0.003 0.000 0.270 172 G HA3 -0.399 3.562 3.960 0.003 0.000 0.270 172 G C 0.493 175.275 174.900 -0.197 0.000 0.976 172 G CA 0.533 45.544 45.100 -0.148 0.000 0.636 172 G HN 0.684 nan 8.290 nan 0.000 0.542 173 C N 1.184 120.354 119.300 -0.216 0.000 2.307 173 C HA 0.690 5.152 4.460 0.003 0.000 0.340 173 C C 0.037 174.909 174.990 -0.197 0.000 1.275 173 C CA -1.051 57.894 59.018 -0.122 0.000 1.811 173 C CB -0.606 27.099 27.740 -0.059 0.000 2.372 173 C HN 0.309 nan 8.230 nan 0.000 0.531 174 Y N 2.380 122.712 120.300 0.054 0.000 2.330 174 Y HA 0.495 5.047 4.550 0.003 0.000 0.336 174 Y C 0.845 176.869 175.900 0.208 0.000 1.036 174 Y CA -0.205 57.951 58.100 0.093 0.000 1.125 174 Y CB 1.286 39.779 38.460 0.056 0.000 1.194 174 Y HN 0.519 nan 8.280 nan 0.000 0.469 175 T N 4.802 119.502 114.554 0.243 0.000 2.881 175 T HA 0.567 4.919 4.350 0.003 0.000 0.290 175 T C -0.697 174.099 174.700 0.159 0.000 1.000 175 T CA -0.730 61.500 62.100 0.217 0.000 0.978 175 T CB 0.927 69.857 68.868 0.103 0.000 0.997 175 T HN 0.373 nan 8.240 nan 0.000 0.443 176 L N 2.860 124.193 121.223 0.184 0.000 2.331 176 L HA 0.627 4.969 4.340 0.003 0.000 0.275 176 L C -0.010 176.912 176.870 0.087 0.000 1.022 176 L CA -0.976 53.929 54.840 0.108 0.000 0.812 176 L CB 1.573 43.699 42.059 0.112 0.000 1.257 176 L HN 0.400 nan 8.230 nan 0.000 0.435 177 K N 1.236 121.683 120.400 0.077 0.000 2.345 177 K HA 0.352 4.674 4.320 0.003 0.000 0.255 177 K C -1.232 175.448 176.600 0.133 0.000 0.934 177 K CA -0.967 55.373 56.287 0.088 0.000 0.801 177 K CB 2.402 34.938 32.500 0.059 0.000 1.137 177 K HN 0.382 nan 8.250 nan 0.000 0.424 178 D N 0.740 121.264 120.400 0.206 0.000 2.358 178 D HA 0.027 4.669 4.640 0.003 0.000 0.244 178 D C 0.953 177.360 176.300 0.178 0.000 1.163 178 D CA -0.044 54.160 54.000 0.340 0.000 0.945 178 D CB 1.255 42.417 40.800 0.604 0.000 1.152 178 D HN 0.611 nan 8.370 nan 0.000 0.451 179 T N -1.344 113.253 114.554 0.072 0.000 3.100 179 T HA 0.150 4.501 4.350 0.003 0.000 0.253 179 T C 0.762 175.255 174.700 -0.344 0.000 1.118 179 T CA 0.110 62.098 62.100 -0.186 0.000 1.058 179 T CB -0.383 68.275 68.868 -0.350 0.000 0.953 179 T HN 0.185 nan 8.240 nan 0.000 0.515 180 F N 2.722 122.728 119.950 0.093 0.000 2.432 180 F HA 0.413 4.942 4.527 0.003 0.000 0.329 180 F C 1.175 177.004 175.800 0.048 0.000 1.076 180 F CA -1.333 56.680 58.000 0.022 0.000 1.018 180 F CB 1.367 40.329 39.000 -0.063 0.000 1.201 180 F HN 0.027 nan 8.300 nan 0.000 0.489 181 D N -1.068 119.458 120.400 0.210 0.000 2.339 181 D HA -0.048 4.593 4.640 0.003 0.000 0.217 181 D C 0.468 176.834 176.300 0.110 0.000 1.050 181 D CA 0.330 54.406 54.000 0.126 0.000 0.856 181 D CB -0.318 40.528 40.800 0.077 0.000 0.922 181 D HN 0.534 nan 8.370 nan 0.000 0.518 182 D N -0.397 120.073 120.400 0.117 0.000 2.513 182 D HA 0.027 4.668 4.640 0.003 0.000 0.222 182 D C 0.157 176.505 176.300 0.079 0.000 1.210 182 D CA -0.211 53.828 54.000 0.065 0.000 0.825 182 D CB -0.536 40.272 40.800 0.014 0.000 1.037 182 D HN 0.109 nan 8.370 nan 0.000 0.506 183 T N -2.216 112.436 114.554 0.163 0.000 2.934 183 T HA 0.624 4.975 4.350 0.003 0.000 0.283 183 T C 0.039 174.903 174.700 0.273 0.000 1.005 183 T CA -0.478 61.785 62.100 0.271 0.000 1.041 183 T CB 1.750 70.913 68.868 0.491 0.000 1.042 183 T HN -0.091 nan 8.240 nan 0.000 0.505 184 T N 2.280 117.011 114.554 0.295 0.000 2.833 184 T HA 0.451 4.802 4.350 0.003 0.000 0.297 184 T C -0.015 174.680 174.700 -0.008 0.000 1.015 184 T CA -0.511 61.660 62.100 0.119 0.000 0.963 184 T CB 0.205 69.105 68.868 0.053 0.000 0.955 184 T HN 0.575 nan 8.240 nan 0.000 0.449 185 I N 4.284 124.731 120.570 -0.205 0.000 2.337 185 I HA 0.177 4.348 4.170 0.003 0.000 0.291 185 I C 1.295 177.150 176.117 -0.437 0.000 1.046 185 I CA -0.337 60.635 61.300 -0.547 0.000 1.324 185 I CB 1.099 38.746 38.000 -0.588 0.000 1.409 185 I HN 0.611 nan 8.210 nan 0.000 0.494 186 L N 6.026 126.911 121.223 -0.563 0.000 2.044 186 L HA 0.115 4.456 4.340 0.003 0.000 0.205 186 L C 1.212 177.518 176.870 -0.939 0.000 1.075 186 L CA 1.065 55.408 54.840 -0.828 0.000 0.747 186 L CB -0.372 40.863 42.059 -1.373 0.000 0.903 186 L HN 0.875 nan 8.230 nan 0.000 0.435 187 G N -2.417 105.880 108.800 -0.837 0.000 2.351 187 G HA2 0.166 4.128 3.960 0.003 0.000 0.279 187 G HA3 0.166 4.128 3.960 0.003 0.000 0.279 187 G C -2.381 172.501 174.900 -0.031 0.000 1.297 187 G CA -0.387 44.405 45.100 -0.513 0.000 0.886 187 G HN 0.138 nan 8.290 nan 0.000 0.493 188 W N -1.130 120.335 121.300 0.274 0.000 2.902 188 W HA 0.877 5.538 4.660 0.002 0.000 0.346 188 W C -0.553 176.197 176.519 0.385 0.000 1.139 188 W CA -1.417 56.083 57.345 0.257 0.000 1.139 188 W CB 1.282 30.822 29.460 0.134 0.000 1.439 188 W HN 0.518 nan 8.180 nan 0.000 0.558 189 M N 2.697 122.597 119.600 0.499 0.000 2.395 189 M HA 0.544 5.025 4.480 0.003 0.000 0.307 189 M C -1.089 175.437 176.300 0.377 0.000 1.091 189 M CA -0.720 54.789 55.300 0.349 0.000 0.919 189 M CB 2.302 35.003 32.600 0.168 0.000 1.662 189 M HN 0.395 nan 8.290 nan 0.000 0.440 190 I N 1.963 122.790 120.570 0.428 0.000 2.465 190 I HA 0.253 4.424 4.170 0.003 0.000 0.291 190 I C -0.128 176.124 176.117 0.225 0.000 1.014 190 I CA -0.857 60.643 61.300 0.333 0.000 1.093 190 I CB 2.040 40.269 38.000 0.383 0.000 1.267 190 I HN 0.608 nan 8.210 nan 0.000 0.431 191 Q N 5.315 125.203 119.800 0.147 0.000 2.381 191 Q HA 0.206 4.548 4.340 0.003 0.000 0.243 191 Q C -0.868 175.193 176.000 0.101 0.000 1.154 191 Q CA 0.559 56.432 55.803 0.117 0.000 0.899 191 Q CB 0.563 29.352 28.738 0.085 0.000 1.396 191 Q HN 0.797 nan 8.270 nan 0.000 0.485 192 T N 1.833 116.458 114.554 0.117 0.000 2.885 192 T HA 0.222 4.574 4.350 0.003 0.000 0.322 192 T C 0.176 174.930 174.700 0.090 0.000 1.387 192 T CA -0.448 61.714 62.100 0.102 0.000 1.041 192 T CB 1.110 70.056 68.868 0.131 0.000 1.287 192 T HN 0.585 nan 8.240 nan 0.000 0.491 193 E N 0.927 121.168 120.200 0.069 0.000 2.358 193 E HA -0.001 4.351 4.350 0.003 0.000 0.195 193 E C -0.190 176.434 176.600 0.040 0.000 1.010 193 E CA 0.082 56.514 56.400 0.053 0.000 0.856 193 E CB 0.172 29.896 29.700 0.041 0.000 0.795 193 E HN 0.488 nan 8.360 nan 0.000 0.504 194 D N 1.322 121.756 120.400 0.057 0.000 2.363 194 D HA -0.036 4.605 4.640 0.003 0.000 0.263 194 D C 0.860 177.203 176.300 0.072 0.000 1.258 194 D CA 0.290 54.319 54.000 0.050 0.000 0.907 194 D CB 0.969 41.803 40.800 0.058 0.000 1.107 194 D HN 0.024 nan 8.370 nan 0.000 0.495 195 T N 0.420 114.980 114.554 0.011 0.000 3.081 195 T HA 0.029 4.381 4.350 0.003 0.000 0.250 195 T C 0.868 175.563 174.700 -0.009 0.000 1.100 195 T CA -0.384 61.706 62.100 -0.017 0.000 1.038 195 T CB -0.033 68.799 68.868 -0.061 0.000 0.962 195 T HN 0.434 nan 8.240 nan 0.000 0.516 196 E N 0.750 120.915 120.200 -0.058 0.000 2.465 196 E HA 0.003 4.354 4.350 0.003 0.000 0.260 196 E C -0.368 176.180 176.600 -0.087 0.000 0.980 196 E CA -0.005 56.254 56.400 -0.235 0.000 0.927 196 E CB 0.005 29.408 29.700 -0.496 0.000 0.934 196 E HN 0.616 nan 8.360 nan 0.000 0.459 197 Y N 0.018 120.422 120.300 0.173 0.000 4.167 197 Y HA -0.387 4.164 4.550 0.002 0.000 0.343 197 Y C 1.014 177.055 175.900 0.234 0.000 1.160 197 Y CA 0.478 58.717 58.100 0.231 0.000 1.963 197 Y CB -1.901 36.733 38.460 0.290 0.000 0.922 197 Y HN 0.618 nan 8.280 nan 0.000 0.443 198 S N 2.107 117.932 115.700 0.208 0.000 2.580 198 S HA 0.454 4.926 4.470 0.003 0.000 0.266 198 S C 0.011 174.474 174.600 -0.228 0.000 1.354 198 S CA -0.744 57.259 58.200 -0.328 0.000 1.008 198 S CB 1.050 63.904 63.200 -0.577 0.000 0.898 198 S HN 0.295 nan 8.310 nan 0.000 0.555 199 L N 2.363 123.374 121.223 -0.352 0.000 2.350 199 L HA 0.442 4.784 4.340 0.003 0.000 0.275 199 L C -1.692 175.023 176.870 -0.258 0.000 1.099 199 L CA -2.081 52.603 54.840 -0.260 0.000 0.808 199 L CB 0.672 42.545 42.059 -0.310 0.000 1.149 199 L HN 0.615 nan 8.230 nan 0.000 0.442 200 P HA 0.035 nan 4.420 nan 0.000 0.277 200 P C -1.135 176.042 177.300 -0.205 0.000 1.240 200 P CA -0.655 62.337 63.100 -0.179 0.000 0.798 200 P CB 0.847 32.471 31.700 -0.126 0.000 0.979 201 Q N 3.335 123.001 119.800 -0.223 0.000 2.255 201 Q HA 0.105 4.447 4.340 0.003 0.000 0.280 201 Q C -1.676 174.224 176.000 -0.167 0.000 1.068 201 Q CA -1.326 54.340 55.803 -0.229 0.000 0.911 201 Q CB -0.108 28.473 28.738 -0.262 0.000 1.157 201 Q HN 0.303 nan 8.270 nan 0.000 0.380 202 P HA -0.111 nan 4.420 nan 0.000 0.266 202 P C -1.309 175.951 177.300 -0.067 0.000 1.193 202 P CA 0.517 63.573 63.100 -0.073 0.000 0.770 202 P CB 0.415 32.102 31.700 -0.022 0.000 0.836 203 E N 2.085 122.258 120.200 -0.045 0.000 2.248 203 E HA 0.514 4.865 4.350 0.003 0.000 0.267 203 E C -0.552 176.048 176.600 0.000 0.000 0.877 203 E CA -1.149 55.231 56.400 -0.034 0.000 0.759 203 E CB 1.899 31.571 29.700 -0.048 0.000 1.182 203 E HN 0.360 nan 8.360 nan 0.000 0.418 204 I N 1.643 122.226 120.570 0.021 0.000 2.720 204 I HA 0.306 4.478 4.170 0.003 0.000 0.287 204 I C -0.032 176.102 176.117 0.028 0.000 1.090 204 I CA -0.397 60.922 61.300 0.032 0.000 1.384 204 I CB 0.876 38.903 38.000 0.044 0.000 1.420 204 I HN 0.817 nan 8.210 nan 0.000 0.575 205 A N 5.434 128.269 122.820 0.025 0.000 2.492 205 A HA 0.310 4.632 4.320 0.003 0.000 0.254 205 A C 1.314 178.915 177.584 0.028 0.000 1.091 205 A CA 0.324 52.375 52.037 0.022 0.000 0.768 205 A CB 0.242 19.252 19.000 0.017 0.000 1.028 205 A HN 1.088 nan 8.150 nan 0.000 0.498 206 G N 1.776 110.595 108.800 0.033 0.000 2.624 206 G HA2 -0.375 3.586 3.960 0.003 0.000 0.221 206 G HA3 -0.375 3.586 3.960 0.003 0.000 0.221 206 G C 1.286 176.204 174.900 0.031 0.000 1.169 206 G CA 1.584 46.707 45.100 0.039 0.000 0.771 206 G HN 0.868 nan 8.290 nan 0.000 0.598 207 E N 0.559 120.773 120.200 0.024 0.000 2.147 207 E HA -0.144 4.208 4.350 0.003 0.000 0.199 207 E C 2.437 179.048 176.600 0.019 0.000 1.005 207 E CA 1.032 57.444 56.400 0.019 0.000 0.810 207 E CB -0.552 29.157 29.700 0.015 0.000 0.736 207 E HN 0.506 nan 8.360 nan 0.000 0.460 208 L N -0.185 121.050 121.223 0.021 0.000 2.456 208 L HA -0.061 4.281 4.340 0.003 0.000 0.224 208 L C 1.787 178.666 176.870 0.016 0.000 1.148 208 L CA 0.431 55.283 54.840 0.020 0.000 0.825 208 L CB -0.152 41.922 42.059 0.024 0.000 0.937 208 L HN 0.205 nan 8.230 nan 0.000 0.450 209 L N -1.113 120.121 121.223 0.018 0.000 2.607 209 L HA 0.094 4.435 4.340 0.003 0.000 0.228 209 L C 0.532 177.408 176.870 0.011 0.000 1.123 209 L CA -0.175 54.671 54.840 0.011 0.000 0.890 209 L CB -0.119 41.953 42.059 0.022 0.000 1.103 209 L HN 0.033 nan 8.230 nan 0.000 0.468 210 K N 1.520 121.930 120.400 0.016 0.000 2.326 210 K HA 0.322 4.643 4.320 0.003 0.000 0.275 210 K C -0.193 176.416 176.600 0.015 0.000 1.018 210 K CA 0.049 56.346 56.287 0.017 0.000 0.962 210 K CB 1.248 33.760 32.500 0.019 0.000 0.953 210 K HN 0.013 nan 8.250 nan 0.000 0.475 211 I N 1.636 122.215 120.570 0.015 0.000 2.365 211 I HA 0.093 4.264 4.170 0.003 0.000 0.291 211 I C 0.179 176.346 176.117 0.084 0.000 1.004 211 I CA -0.135 61.181 61.300 0.026 0.000 1.311 211 I CB 1.252 39.232 38.000 -0.033 0.000 1.401 211 I HN 0.334 nan 8.210 nan 0.000 0.491 212 S N 3.440 119.203 115.700 0.104 0.000 2.537 212 S HA 0.654 5.126 4.470 0.003 0.000 0.301 212 S C 0.212 174.868 174.600 0.093 0.000 1.092 212 S CA -0.760 57.493 58.200 0.088 0.000 1.048 212 S CB 1.887 65.092 63.200 0.007 0.000 1.053 212 S HN 0.787 nan 8.310 nan 0.000 0.501 213 G N 0.507 109.305 108.800 -0.003 0.000 2.504 213 G HA2 0.701 4.662 3.960 0.003 0.000 0.288 213 G HA3 0.701 4.662 3.960 0.003 0.000 0.288 213 G C -0.616 173.973 174.900 -0.518 0.000 1.182 213 G CA -0.329 44.560 45.100 -0.352 0.000 0.894 213 G HN 0.997 nan 8.290 nan 0.000 0.521 214 A N 0.183 122.440 122.820 -0.937 0.000 2.599 214 A HA 0.875 5.196 4.320 0.003 0.000 0.290 214 A C -0.693 176.404 177.584 -0.811 0.000 1.101 214 A CA -0.751 50.768 52.037 -0.863 0.000 0.674 214 A CB 1.691 19.910 19.000 -1.302 0.000 1.277 214 A HN 0.946 nan 8.150 nan 0.000 0.419 215 R N 0.423 120.735 120.500 -0.313 0.000 2.621 215 R HA 0.696 5.038 4.340 0.003 0.000 0.284 215 R C -1.560 174.919 176.300 0.299 0.000 0.998 215 R CA -0.632 55.496 56.100 0.047 0.000 0.895 215 R CB 1.257 31.583 30.300 0.042 0.000 1.195 215 R HN 0.722 nan 8.270 nan 0.000 0.450 216 L N 2.002 123.478 121.223 0.422 0.000 2.456 216 L HA 0.344 4.686 4.340 0.003 0.000 0.257 216 L C 0.427 177.442 176.870 0.242 0.000 1.162 216 L CA -0.395 54.646 54.840 0.335 0.000 0.808 216 L CB 1.062 43.293 42.059 0.286 0.000 1.136 216 L HN 0.670 nan 8.230 nan 0.000 0.466 217 E N 1.575 121.860 120.200 0.142 0.000 2.316 217 E HA -0.015 4.336 4.350 0.003 0.000 0.275 217 E C -0.429 176.238 176.600 0.111 0.000 1.029 217 E CA -0.575 55.876 56.400 0.084 0.000 0.871 217 E CB 0.692 30.407 29.700 0.025 0.000 1.022 217 E HN 0.373 nan 8.360 nan 0.000 0.418 218 N N 4.615 123.314 118.700 -0.002 0.000 2.402 218 N HA -0.009 4.732 4.740 0.003 0.000 0.252 218 N C -0.581 174.870 175.510 -0.098 0.000 1.118 218 N CA 0.240 53.178 53.050 -0.187 0.000 0.945 218 N CB 0.671 38.816 38.487 -0.570 0.000 1.147 218 N HN 0.546 nan 8.380 nan 0.000 0.495 219 K N 2.424 122.829 120.400 0.009 0.000 2.646 219 K HA 0.195 4.517 4.320 0.003 0.000 0.206 219 K C 0.409 177.016 176.600 0.012 0.000 1.069 219 K CA -0.106 56.172 56.287 -0.014 0.000 1.067 219 K CB -0.301 32.184 32.500 -0.024 0.000 0.807 219 K HN 0.601 nan 8.250 nan 0.000 0.482 220 G N 2.300 111.139 108.800 0.064 0.000 2.246 220 G HA2 -0.294 3.667 3.960 0.003 0.000 0.273 220 G HA3 -0.294 3.667 3.960 0.003 0.000 0.273 220 G C 0.293 175.244 174.900 0.084 0.000 1.055 220 G CA 0.728 45.907 45.100 0.132 0.000 0.851 220 G HN 0.503 nan 8.290 nan 0.000 0.500 221 Q N -1.078 118.712 119.800 -0.016 0.000 2.297 221 Q HA 0.233 4.575 4.340 0.003 0.000 0.204 221 Q C 1.548 177.116 176.000 -0.719 0.000 0.962 221 Q CA 1.238 56.751 55.803 -0.484 0.000 0.879 221 Q CB 0.005 28.226 28.738 -0.861 0.000 0.947 221 Q HN 0.728 nan 8.270 nan 0.000 0.462 222 F N -0.233 119.630 119.950 -0.145 0.000 2.791 222 F HA 0.232 4.761 4.527 0.003 0.000 0.308 222 F C 0.692 176.552 175.800 0.100 0.000 1.138 222 F CA -0.584 57.263 58.000 -0.254 0.000 1.294 222 F CB 0.650 39.225 39.000 -0.707 0.000 0.975 222 F HN -0.076 nan 8.300 nan 0.000 0.512 223 D N 0.756 121.319 120.400 0.271 0.000 2.084 223 D HA -0.067 4.574 4.640 0.003 0.000 0.194 223 D C 1.873 178.318 176.300 0.243 0.000 0.990 223 D CA 1.472 55.617 54.000 0.240 0.000 0.826 223 D CB -0.175 40.719 40.800 0.157 0.000 0.971 223 D HN 0.376 nan 8.370 nan 0.000 0.453 224 G N -0.305 108.641 108.800 0.243 0.000 3.410 224 G HA2 0.215 4.177 3.960 0.003 0.000 0.189 224 G HA3 0.215 4.177 3.960 0.003 0.000 0.189 224 G C -0.424 174.638 174.900 0.269 0.000 1.404 224 G CA -0.474 44.755 45.100 0.213 0.000 0.898 224 G HN -0.056 nan 8.290 nan 0.000 0.650 225 K N 2.362 122.861 120.400 0.166 0.000 2.142 225 K HA 0.115 4.437 4.320 0.003 0.000 0.250 225 K C 0.870 177.540 176.600 0.117 0.000 1.148 225 K CA -0.463 55.871 56.287 0.080 0.000 1.040 225 K CB 0.287 32.801 32.500 0.023 0.000 1.569 225 K HN 0.683 nan 8.250 nan 0.000 0.361 226 W N 3.132 124.497 121.300 0.107 0.000 2.770 226 W HA 0.095 4.755 4.660 -0.000 0.000 0.256 226 W C -0.340 176.239 176.519 0.100 0.000 1.291 226 W CA -0.300 57.107 57.345 0.104 0.000 1.396 226 W CB -0.257 29.327 29.460 0.207 0.000 1.114 226 W HN 0.143 nan 8.180 nan 0.000 0.637 227 L N 2.838 123.710 121.223 -0.585 0.000 2.292 227 L HA 0.134 4.476 4.340 0.003 0.000 0.284 227 L C 0.194 176.940 176.870 -0.206 0.000 1.065 227 L CA -0.404 54.127 54.840 -0.516 0.000 0.806 227 L CB 0.721 42.329 42.059 -0.751 0.000 1.175 227 L HN -0.299 nan 8.230 nan 0.000 0.431 228 D N 3.108 123.443 120.400 -0.107 0.000 2.359 228 D HA -0.014 4.627 4.640 0.003 0.000 0.250 228 D C 0.869 177.138 176.300 -0.052 0.000 1.264 228 D CA 0.264 54.234 54.000 -0.050 0.000 0.911 228 D CB 0.720 41.509 40.800 -0.018 0.000 1.056 228 D HN 0.485 nan 8.370 nan 0.000 0.499 229 E N 2.276 122.448 120.200 -0.047 0.000 2.478 229 E HA -0.134 4.217 4.350 0.003 0.000 0.198 229 E C 1.135 177.724 176.600 -0.017 0.000 1.046 229 E CA 0.316 56.695 56.400 -0.035 0.000 0.870 229 E CB 0.424 30.104 29.700 -0.033 0.000 0.818 229 E HN 0.187 nan 8.360 nan 0.000 0.527 230 K N 1.197 121.590 120.400 -0.013 0.000 2.103 230 K HA -0.076 4.246 4.320 0.003 0.000 0.204 230 K C 0.413 177.012 176.600 -0.002 0.000 1.052 230 K CA 0.537 56.821 56.287 -0.005 0.000 0.945 230 K CB -0.156 32.342 32.500 -0.003 0.000 0.722 230 K HN -0.006 nan 8.250 nan 0.000 0.443 231 D N 0.401 120.799 120.400 -0.004 0.000 2.363 231 D HA 0.011 4.652 4.640 0.003 0.000 0.263 231 D C -1.915 174.391 176.300 0.010 0.000 1.258 231 D CA -1.969 52.033 54.000 0.003 0.000 0.907 231 D CB 1.195 41.997 40.800 0.002 0.000 1.107 231 D HN -0.082 nan 8.370 nan 0.000 0.495 232 P HA -0.182 nan 4.420 nan 0.000 0.217 232 P C 1.484 178.812 177.300 0.047 0.000 1.151 232 P CA 0.610 63.725 63.100 0.026 0.000 0.849 232 P CB 0.251 31.966 31.700 0.024 0.000 0.787 233 L N -0.721 120.536 121.223 0.056 0.000 1.994 233 L HA -0.183 4.158 4.340 0.003 0.000 0.208 233 L C 2.541 179.462 176.870 0.086 0.000 1.071 233 L CA 1.911 56.811 54.840 0.100 0.000 0.745 233 L CB -1.411 40.718 42.059 0.117 0.000 0.892 233 L HN -0.032 nan 8.230 nan 0.000 0.431 234 Q N -1.140 118.679 119.800 0.031 0.000 2.170 234 Q HA -0.221 4.120 4.340 0.003 0.000 0.203 234 Q C 2.051 178.057 176.000 0.010 0.000 0.976 234 Q CA 1.464 57.258 55.803 -0.016 0.000 0.858 234 Q CB -0.291 28.408 28.738 -0.066 0.000 0.907 234 Q HN 0.569 nan 8.270 nan 0.000 0.433 235 N N -0.119 118.589 118.700 0.013 0.000 2.270 235 N HA -0.101 4.641 4.740 0.003 0.000 0.181 235 N C 1.651 177.177 175.510 0.028 0.000 1.016 235 N CA 0.815 53.868 53.050 0.006 0.000 0.870 235 N CB 0.112 38.602 38.487 0.004 0.000 0.979 235 N HN 0.177 nan 8.380 nan 0.000 0.431 236 A N 0.211 123.074 122.820 0.072 0.000 1.930 236 A HA -0.180 4.141 4.320 0.003 0.000 0.217 236 A C 1.990 179.639 177.584 0.109 0.000 1.175 236 A CA 0.894 53.002 52.037 0.119 0.000 0.627 236 A CB -0.940 18.174 19.000 0.191 0.000 0.815 236 A HN 0.568 nan 8.150 nan 0.000 0.443 237 Y N 0.479 120.706 120.300 -0.123 0.000 2.163 237 Y HA -0.162 4.389 4.550 0.002 0.000 0.288 237 Y C 2.333 178.079 175.900 -0.256 0.000 1.136 237 Y CA 1.965 59.793 58.100 -0.453 0.000 1.147 237 Y CB -0.286 37.827 38.460 -0.578 0.000 0.987 237 Y HN 0.061 nan 8.280 nan 0.000 0.509 238 V N 0.679 120.530 119.914 -0.105 0.000 2.343 238 V HA -0.322 3.800 4.120 0.003 0.000 0.247 238 V C 2.326 178.337 176.094 -0.138 0.000 1.051 238 V CA 2.066 64.283 62.300 -0.137 0.000 1.036 238 V CB -0.707 31.072 31.823 -0.072 0.000 0.654 238 V HN 0.425 nan 8.190 nan 0.000 0.451 239 Q N -0.098 119.656 119.800 -0.077 0.000 2.181 239 Q HA -0.144 4.197 4.340 0.003 0.000 0.205 239 Q C 2.266 178.228 176.000 -0.063 0.000 0.980 239 Q CA 1.941 57.715 55.803 -0.047 0.000 0.862 239 Q CB -0.616 28.117 28.738 -0.008 0.000 0.905 239 Q HN 0.691 nan 8.270 nan 0.000 0.429 240 A N -0.061 122.701 122.820 -0.096 0.000 1.984 240 A HA 0.008 4.330 4.320 0.003 0.000 0.214 240 A C 1.290 178.770 177.584 -0.175 0.000 1.173 240 A CA 0.988 52.976 52.037 -0.082 0.000 0.673 240 A CB 0.062 19.099 19.000 0.061 0.000 0.830 240 A HN 0.407 nan 8.150 nan 0.000 0.453 241 N N -1.950 116.541 118.700 -0.347 0.000 2.145 241 N HA 0.404 5.146 4.740 0.003 0.000 0.219 241 N C 0.528 175.920 175.510 -0.196 0.000 1.266 241 N CA 0.532 53.383 53.050 -0.331 0.000 0.902 241 N CB 1.376 39.482 38.487 -0.635 0.000 1.078 241 N HN 0.614 nan 8.380 nan 0.000 0.513 242 G N 0.847 109.549 108.800 -0.163 0.000 2.760 242 G HA2 -0.244 3.718 3.960 0.003 0.000 0.246 242 G HA3 -0.244 3.718 3.960 0.003 0.000 0.246 242 G C -0.761 174.112 174.900 -0.046 0.000 1.359 242 G CA -0.727 44.331 45.100 -0.070 0.000 0.861 242 G HN 0.064 nan 8.290 nan 0.000 0.541 243 Q N 0.109 119.908 119.800 -0.002 0.000 3.254 243 Q HA 0.422 4.764 4.340 0.003 0.000 0.315 243 Q C 0.155 176.290 176.000 0.225 0.000 1.405 243 Q CA 0.334 56.122 55.803 -0.025 0.000 0.966 243 Q CB 0.176 28.907 28.738 -0.013 0.000 1.706 243 Q HN 0.629 nan 8.270 nan 0.000 0.525 244 V N 1.117 121.176 119.914 0.241 0.000 2.971 244 V HA 0.410 4.531 4.120 0.003 0.000 0.309 244 V C 0.754 177.059 176.094 0.352 0.000 1.130 244 V CA -0.574 61.915 62.300 0.314 0.000 0.964 244 V CB 2.261 34.184 31.823 0.167 0.000 1.029 244 V HN 0.423 nan 8.190 nan 0.000 0.427 245 I N -0.101 120.638 120.570 0.281 0.000 4.228 245 I HA 0.453 4.625 4.170 0.003 0.000 0.298 245 I C 0.444 176.604 176.117 0.071 0.000 1.206 245 I CA 0.095 61.504 61.300 0.181 0.000 1.322 245 I CB 0.617 38.670 38.000 0.088 0.000 1.411 245 I HN 0.726 nan 8.210 nan 0.000 0.454 246 N N -0.221 118.494 118.700 0.025 0.000 3.157 246 N HA 0.219 4.961 4.740 0.003 0.000 0.291 246 N C 0.165 175.690 175.510 0.024 0.000 1.515 246 N CA -0.716 52.339 53.050 0.008 0.000 0.807 246 N CB 0.776 39.244 38.487 -0.032 0.000 1.672 246 N HN -0.082 nan 8.380 nan 0.000 0.592 247 Q N -0.852 118.962 119.800 0.023 0.000 2.084 247 Q HA -0.088 4.254 4.340 0.003 0.000 0.202 247 Q C -0.666 175.362 176.000 0.046 0.000 0.978 247 Q CA 1.679 57.502 55.803 0.034 0.000 0.844 247 Q CB -0.196 28.556 28.738 0.024 0.000 0.898 247 Q HN 0.746 nan 8.270 nan 0.000 0.426 248 D N -0.321 120.103 120.400 0.040 0.000 2.420 248 D HA 0.123 4.765 4.640 0.003 0.000 0.255 248 D C -2.007 174.346 176.300 0.088 0.000 1.185 248 D CA -2.179 51.879 54.000 0.097 0.000 0.904 248 D CB 1.287 42.158 40.800 0.117 0.000 1.102 248 D HN -0.096 nan 8.370 nan 0.000 0.534 249 P HA -0.141 nan 4.420 nan 0.000 0.229 249 P C 0.519 177.740 177.300 -0.132 0.000 1.150 249 P CA 0.706 63.626 63.100 -0.299 0.000 0.765 249 P CB 0.020 31.206 31.700 -0.856 0.000 0.783 250 Y N -1.912 118.512 120.300 0.207 0.000 2.482 250 Y HA 0.099 4.651 4.550 0.004 0.000 0.270 250 Y C 1.692 177.793 175.900 0.335 0.000 1.152 250 Y CA -0.014 58.266 58.100 0.300 0.000 1.292 250 Y CB -0.364 38.223 38.460 0.212 0.000 1.070 250 Y HN 0.082 nan 8.280 nan 0.000 0.528 251 H N 0.202 119.436 119.070 0.273 0.000 2.472 251 H HA 0.307 4.864 4.556 0.002 0.000 0.335 251 H C -1.021 174.418 175.328 0.186 0.000 1.136 251 H CA -0.411 55.730 56.048 0.155 0.000 1.264 251 H CB 1.201 30.953 29.762 -0.018 0.000 1.486 251 H HN 0.153 nan 8.280 nan 0.000 0.517 252 Y N 1.657 121.587 120.300 -0.617 0.000 2.744 252 Y HA 0.510 5.060 4.550 0.001 0.000 0.330 252 Y C -2.122 173.428 175.900 -0.583 0.000 1.263 252 Y CA -1.316 56.566 58.100 -0.363 0.000 1.065 252 Y CB 0.871 39.273 38.460 -0.097 0.000 1.306 252 Y HN 0.424 nan 8.280 nan 0.000 0.459 253 Y N -0.019 120.265 120.300 -0.027 0.000 2.576 253 Y HA 0.696 5.249 4.550 0.005 0.000 0.346 253 Y C -0.125 175.757 175.900 -0.031 0.000 1.018 253 Y CA -0.597 57.447 58.100 -0.095 0.000 1.050 253 Y CB 2.709 41.159 38.460 -0.016 0.000 1.280 253 Y HN 0.820 nan 8.280 nan 0.000 0.474 254 T N 0.384 115.002 114.554 0.107 0.000 2.906 254 T HA 0.874 5.225 4.350 0.003 0.000 0.295 254 T C -0.983 173.736 174.700 0.032 0.000 1.061 254 T CA -0.750 61.385 62.100 0.058 0.000 1.000 254 T CB 1.628 70.517 68.868 0.034 0.000 1.103 254 T HN 0.693 nan 8.240 nan 0.000 0.486 255 I N -1.200 119.367 120.570 -0.006 0.000 2.894 255 I HA 0.729 4.900 4.170 0.003 0.000 0.302 255 I C 0.073 176.180 176.117 -0.018 0.000 1.188 255 I CA -1.216 60.074 61.300 -0.016 0.000 1.014 255 I CB 2.347 40.324 38.000 -0.039 0.000 1.242 255 I HN 0.879 nan 8.210 nan 0.000 0.430 256 T N -0.892 113.662 114.554 -0.000 0.000 2.828 256 T HA 0.239 4.590 4.350 0.003 0.000 0.290 256 T C 0.713 175.430 174.700 0.027 0.000 1.019 256 T CA -0.071 62.042 62.100 0.020 0.000 1.031 256 T CB 1.500 70.385 68.868 0.028 0.000 1.001 256 T HN 0.864 nan 8.240 nan 0.000 0.531 257 E N 0.456 120.698 120.200 0.069 0.000 2.153 257 E HA -0.113 4.238 4.350 0.003 0.000 0.194 257 E C 2.272 178.924 176.600 0.086 0.000 0.988 257 E CA 1.113 57.580 56.400 0.112 0.000 0.811 257 E CB -0.121 29.679 29.700 0.165 0.000 0.746 257 E HN 0.740 nan 8.360 nan 0.000 0.466 258 S N 0.416 116.158 115.700 0.070 0.000 2.383 258 S HA -0.153 4.319 4.470 0.003 0.000 0.227 258 S C 2.045 176.664 174.600 0.032 0.000 1.026 258 S CA 0.897 59.137 58.200 0.067 0.000 0.981 258 S CB -0.108 63.126 63.200 0.056 0.000 0.818 258 S HN 0.394 nan 8.310 nan 0.000 0.472 259 A N 1.534 124.360 122.820 0.009 0.000 1.902 259 A HA -0.140 4.182 4.320 0.003 0.000 0.217 259 A C 2.076 179.621 177.584 -0.065 0.000 1.181 259 A CA 1.496 53.516 52.037 -0.028 0.000 0.623 259 A CB -0.561 18.419 19.000 -0.034 0.000 0.818 259 A HN 0.534 nan 8.150 nan 0.000 0.443 260 E N -0.209 119.964 120.200 -0.045 0.000 2.058 260 E HA -0.263 4.088 4.350 0.003 0.000 0.194 260 E C 2.205 178.717 176.600 -0.146 0.000 0.997 260 E CA 1.536 57.889 56.400 -0.077 0.000 0.801 260 E CB -0.187 29.517 29.700 0.006 0.000 0.746 260 E HN 0.766 nan 8.360 nan 0.000 0.450 261 Q N 0.056 119.819 119.800 -0.062 0.000 2.135 261 Q HA -0.239 4.102 4.340 0.003 0.000 0.204 261 Q C 2.105 178.043 176.000 -0.105 0.000 0.981 261 Q CA 1.694 57.455 55.803 -0.070 0.000 0.856 261 Q CB -0.137 28.638 28.738 0.060 0.000 0.902 261 Q HN 0.184 nan 8.270 nan 0.000 0.425 262 E N 0.995 121.151 120.200 -0.074 0.000 2.077 262 E HA -0.145 4.206 4.350 0.003 0.000 0.193 262 E C 1.793 178.270 176.600 -0.204 0.000 0.989 262 E CA 0.926 57.279 56.400 -0.078 0.000 0.800 262 E CB -0.189 29.487 29.700 -0.041 0.000 0.746 262 E HN 0.295 nan 8.360 nan 0.000 0.452 263 L N 0.072 121.127 121.223 -0.280 0.000 2.083 263 L HA -0.157 4.185 4.340 0.003 0.000 0.209 263 L C 2.467 179.124 176.870 -0.354 0.000 1.083 263 L CA 1.007 55.611 54.840 -0.393 0.000 0.752 263 L CB -0.394 41.479 42.059 -0.309 0.000 0.899 263 L HN 0.226 nan 8.230 nan 0.000 0.433 264 I N -0.125 120.150 120.570 -0.492 0.000 2.142 264 I HA -0.342 3.829 4.170 0.003 0.000 0.240 264 I C 2.720 178.709 176.117 -0.214 0.000 1.078 264 I CA 1.482 62.438 61.300 -0.575 0.000 1.343 264 I CB -0.324 37.286 38.000 -0.650 0.000 1.046 264 I HN 0.232 nan 8.210 nan 0.000 0.405 265 K N 1.231 121.533 120.400 -0.164 0.000 2.063 265 K HA -0.230 4.092 4.320 0.003 0.000 0.208 265 K C 2.134 178.729 176.600 -0.009 0.000 1.048 265 K CA 1.775 58.035 56.287 -0.046 0.000 0.928 265 K CB -0.148 32.353 32.500 0.002 0.000 0.713 265 K HN 0.326 nan 8.250 nan 0.000 0.442 266 A N 0.191 122.921 122.820 -0.151 0.000 1.929 266 A HA -0.087 4.234 4.320 0.003 0.000 0.216 266 A C 2.128 179.661 177.584 -0.086 0.000 1.176 266 A CA 1.903 53.740 52.037 -0.334 0.000 0.628 266 A CB -0.764 17.603 19.000 -1.054 0.000 0.816 266 A HN 0.432 nan 8.150 nan 0.000 0.444 267 T N 0.655 115.205 114.554 -0.006 0.000 2.708 267 T HA -0.147 4.205 4.350 0.003 0.000 0.266 267 T C 1.731 176.493 174.700 0.103 0.000 1.037 267 T CA 1.747 63.914 62.100 0.111 0.000 1.146 267 T CB -0.536 68.465 68.868 0.221 0.000 0.865 267 T HN 0.705 nan 8.240 nan 0.000 0.435 268 N N 0.509 119.274 118.700 0.108 0.000 2.166 268 N HA -0.107 4.634 4.740 0.003 0.000 0.186 268 N C 2.043 177.656 175.510 0.171 0.000 1.019 268 N CA 0.939 54.074 53.050 0.141 0.000 0.856 268 N CB -0.030 38.531 38.487 0.122 0.000 0.993 268 N HN 0.503 nan 8.380 nan 0.000 0.426 269 E N 1.213 121.500 120.200 0.146 0.000 2.046 269 E HA -0.090 4.262 4.350 0.003 0.000 0.190 269 E C 1.952 178.605 176.600 0.089 0.000 0.982 269 E CA 0.596 57.087 56.400 0.152 0.000 0.800 269 E CB 0.086 29.921 29.700 0.226 0.000 0.756 269 E HN 0.280 nan 8.360 nan 0.000 0.449 270 L N -0.019 121.250 121.223 0.075 0.000 2.093 270 L HA -0.175 4.166 4.340 0.003 0.000 0.208 270 L C 2.576 179.546 176.870 0.168 0.000 1.085 270 L CA 1.434 56.309 54.840 0.058 0.000 0.755 270 L CB -0.435 41.649 42.059 0.041 0.000 0.904 270 L HN 0.304 nan 8.230 nan 0.000 0.435 271 H N 0.153 119.250 119.070 0.045 0.000 2.353 271 H HA -0.144 4.488 4.556 0.126 0.000 0.300 271 H C 2.147 177.630 175.328 0.259 0.000 1.090 271 H CA 1.637 57.764 56.048 0.132 0.000 1.327 271 H CB 0.055 29.892 29.762 0.125 0.000 1.383 271 H HN 0.171 nan 8.280 nan 0.000 0.508 272 L N -0.613 120.744 121.223 0.223 0.000 2.141 272 L HA -0.140 4.201 4.340 0.003 0.000 0.209 272 L C 2.507 179.453 176.870 0.125 0.000 1.094 272 L CA 1.154 56.097 54.840 0.172 0.000 0.763 272 L CB -0.311 41.857 42.059 0.181 0.000 0.908 272 L HN 0.393 nan 8.230 nan 0.000 0.437 273 M N -1.740 117.875 119.600 0.024 0.000 2.132 273 M HA -0.208 4.274 4.480 0.003 0.000 0.263 273 M C 2.251 178.629 176.300 0.130 0.000 1.065 273 M CA 1.918 57.161 55.300 -0.095 0.000 1.122 273 M CB -0.379 31.853 32.600 -0.614 0.000 1.365 273 M HN 0.061 nan 8.290 nan 0.000 0.411 274 Y N 0.393 120.720 120.300 0.044 0.000 2.181 274 Y HA -0.203 4.359 4.550 0.020 0.000 0.288 274 Y C 2.130 178.064 175.900 0.056 0.000 1.146 274 Y CA 1.372 59.532 58.100 0.101 0.000 1.164 274 Y CB -0.217 38.373 38.460 0.216 0.000 0.982 274 Y HN 0.143 nan 8.280 nan 0.000 0.515 275 L N -1.090 120.241 121.223 0.180 0.000 2.141 275 L HA -0.261 4.081 4.340 0.003 0.000 0.209 275 L C 2.456 179.398 176.870 0.120 0.000 1.094 275 L CA 1.522 56.435 54.840 0.122 0.000 0.763 275 L CB -0.832 41.341 42.059 0.191 0.000 0.908 275 L HN 0.458 nan 8.230 nan 0.000 0.437 276 H N 0.516 119.649 119.070 0.106 0.000 2.321 276 H HA -0.158 4.397 4.556 -0.002 0.000 0.300 276 H C 2.113 177.455 175.328 0.023 0.000 1.087 276 H CA 1.606 57.716 56.048 0.103 0.000 1.319 276 H CB 0.448 30.328 29.762 0.196 0.000 1.379 276 H HN 0.301 nan 8.280 nan 0.000 0.501 277 A N 0.048 122.866 122.820 -0.003 0.000 1.972 277 A HA -0.129 4.193 4.320 0.003 0.000 0.219 277 A C 2.563 180.010 177.584 -0.228 0.000 1.169 277 A CA 1.812 53.780 52.037 -0.115 0.000 0.635 277 A CB -0.841 18.160 19.000 0.002 0.000 0.810 277 A HN 0.501 nan 8.150 nan 0.000 0.446 278 T N -0.341 114.040 114.554 -0.289 0.000 2.701 278 T HA -0.144 4.207 4.350 0.003 0.000 0.263 278 T C 1.690 175.919 174.700 -0.785 0.000 1.040 278 T CA 1.697 63.455 62.100 -0.569 0.000 1.147 278 T CB -0.432 67.979 68.868 -0.763 0.000 0.865 278 T HN 0.668 nan 8.240 nan 0.000 0.426 279 D N 0.692 120.678 120.400 -0.689 0.000 2.133 279 D HA -0.133 4.508 4.640 0.003 0.000 0.195 279 D C 2.223 178.331 176.300 -0.320 0.000 0.997 279 D CA 1.108 54.889 54.000 -0.366 0.000 0.840 279 D CB 0.075 40.917 40.800 0.069 0.000 0.947 279 D HN 0.085 nan 8.370 nan 0.000 0.452 280 K N -0.006 120.181 120.400 -0.355 0.000 2.057 280 K HA -0.066 4.255 4.320 0.003 0.000 0.207 280 K C 2.271 178.710 176.600 -0.268 0.000 1.049 280 K CA 0.533 56.643 56.287 -0.295 0.000 0.931 280 K CB -0.625 31.683 32.500 -0.321 0.000 0.714 280 K HN 0.183 nan 8.250 nan 0.000 0.440 281 V N 2.074 121.798 119.914 -0.317 0.000 2.295 281 V HA -0.212 3.910 4.120 0.003 0.000 0.246 281 V C 2.335 178.181 176.094 -0.414 0.000 1.049 281 V CA 1.501 63.589 62.300 -0.353 0.000 1.024 281 V CB -0.457 31.066 31.823 -0.499 0.000 0.648 281 V HN 0.232 nan 8.190 nan 0.000 0.447 282 L N -0.622 120.326 121.223 -0.457 0.000 2.549 282 L HA -0.080 4.262 4.340 0.003 0.000 0.229 282 L C 2.156 178.877 176.870 -0.247 0.000 1.158 282 L CA 1.125 55.727 54.840 -0.395 0.000 0.842 282 L CB -0.491 41.308 42.059 -0.432 0.000 0.952 282 L HN 0.329 nan 8.230 nan 0.000 0.452 283 K N -0.824 119.449 120.400 -0.212 0.000 2.367 283 K HA 0.039 4.361 4.320 0.003 0.000 0.194 283 K C -0.117 176.407 176.600 -0.127 0.000 1.027 283 K CA 0.089 56.297 56.287 -0.133 0.000 1.075 283 K CB 0.399 32.835 32.500 -0.107 0.000 0.845 283 K HN 0.015 nan 8.250 nan 0.000 0.529 284 D N 0.299 120.597 120.400 -0.169 0.000 2.602 284 D HA 0.071 4.713 4.640 0.003 0.000 0.245 284 D C -0.165 176.026 176.300 -0.182 0.000 1.325 284 D CA -0.321 53.597 54.000 -0.137 0.000 0.952 284 D CB 1.371 42.105 40.800 -0.110 0.000 1.317 284 D HN -0.211 nan 8.370 nan 0.000 0.577 285 D N 1.993 122.304 120.400 -0.148 0.000 2.172 285 D HA -0.173 4.468 4.640 0.003 0.000 0.196 285 D C 1.309 177.526 176.300 -0.139 0.000 0.999 285 D CA 0.935 54.830 54.000 -0.175 0.000 0.856 285 D CB 0.294 41.107 40.800 0.021 0.000 0.934 285 D HN 0.415 nan 8.370 nan 0.000 0.453 286 N N -0.108 118.552 118.700 -0.068 0.000 2.223 286 N HA -0.084 4.657 4.740 0.003 0.000 0.185 286 N C 1.928 177.410 175.510 -0.046 0.000 1.016 286 N CA 0.442 53.470 53.050 -0.037 0.000 0.863 286 N CB -0.168 38.305 38.487 -0.023 0.000 0.983 286 N HN 0.314 nan 8.380 nan 0.000 0.429 287 L N -0.237 120.946 121.223 -0.067 0.000 2.127 287 L HA -0.018 4.323 4.340 0.003 0.000 0.203 287 L C 2.147 179.044 176.870 0.045 0.000 1.080 287 L CA 0.321 55.165 54.840 0.006 0.000 0.768 287 L CB -0.384 41.666 42.059 -0.015 0.000 0.924 287 L HN 0.095 nan 8.230 nan 0.000 0.444 288 L N 0.890 121.959 121.223 -0.256 0.000 2.042 288 L HA -0.152 4.190 4.340 0.003 0.000 0.210 288 L C 2.648 179.368 176.870 -0.251 0.000 1.076 288 L CA 2.035 56.554 54.840 -0.534 0.000 0.749 288 L CB -0.829 40.599 42.059 -1.052 0.000 0.893 288 L HN 0.161 nan 8.230 nan 0.000 0.432 289 A N -0.667 122.039 122.820 -0.191 0.000 2.032 289 A HA -0.194 4.128 4.320 0.003 0.000 0.221 289 A C 2.214 179.887 177.584 0.148 0.000 1.165 289 A CA 1.892 54.019 52.037 0.150 0.000 0.645 289 A CB -0.961 18.156 19.000 0.195 0.000 0.807 289 A HN 0.546 nan 8.150 nan 0.000 0.453 290 L N -1.973 119.310 121.223 0.100 0.000 2.362 290 L HA -0.105 4.237 4.340 0.003 0.000 0.219 290 L C 1.644 178.454 176.870 -0.099 0.000 1.134 290 L CA 0.580 55.355 54.840 -0.109 0.000 0.807 290 L CB -0.427 41.447 42.059 -0.309 0.000 0.927 290 L HN 0.364 nan 8.230 nan 0.000 0.447 291 F N -0.626 119.314 119.950 -0.016 0.000 2.780 291 F HA -0.007 4.519 4.527 -0.002 0.000 0.299 291 F C 0.767 176.620 175.800 0.088 0.000 1.146 291 F CA -0.186 57.838 58.000 0.041 0.000 1.428 291 F CB -0.495 38.508 39.000 0.005 0.000 1.115 291 F HN 0.047 nan 8.300 nan 0.000 0.583 292 D N 0.809 121.351 120.400 0.237 0.000 2.811 292 D HA -0.221 4.421 4.640 0.003 0.000 0.231 292 D C -0.058 176.378 176.300 0.227 0.000 1.157 292 D CA 0.643 54.763 54.000 0.199 0.000 0.716 292 D CB -1.435 39.445 40.800 0.134 0.000 1.077 292 D HN 0.234 nan 8.370 nan 0.000 0.428 293 I N 0.360 121.101 120.570 0.286 0.000 2.365 293 I HA 0.208 4.379 4.170 0.003 0.000 0.291 293 I C -1.802 174.404 176.117 0.147 0.000 1.004 293 I CA -2.010 59.389 61.300 0.164 0.000 1.311 293 I CB 1.060 39.127 38.000 0.112 0.000 1.401 293 I HN -0.312 nan 8.210 nan 0.000 0.491 294 P HA -0.058 nan 4.420 nan 0.000 0.259 294 P C 0.328 177.440 177.300 -0.314 0.000 1.163 294 P CA 0.198 63.218 63.100 -0.134 0.000 0.760 294 P CB 0.381 31.986 31.700 -0.158 0.000 0.762 295 K N 2.643 122.706 120.400 -0.563 0.000 2.160 295 K HA -0.195 4.126 4.320 0.003 0.000 0.206 295 K C 1.696 177.848 176.600 -0.746 0.000 1.047 295 K CA 1.214 56.750 56.287 -1.252 0.000 0.930 295 K CB -0.422 31.450 32.500 -1.047 0.000 0.720 295 K HN 0.394 nan 8.250 nan 0.000 0.450 296 I N 1.346 121.702 120.570 -0.357 0.000 2.423 296 I HA -0.245 3.927 4.170 0.003 0.000 0.254 296 I C 1.611 177.621 176.117 -0.177 0.000 1.151 296 I CA 1.361 62.532 61.300 -0.215 0.000 1.421 296 I CB 0.025 37.907 38.000 -0.197 0.000 1.079 296 I HN 0.069 nan 8.210 nan 0.000 0.431 297 L N -1.530 119.583 121.223 -0.183 0.000 2.418 297 L HA -0.083 4.259 4.340 0.003 0.000 0.218 297 L C 1.962 178.880 176.870 0.081 0.000 1.125 297 L CA 0.068 54.848 54.840 -0.099 0.000 0.835 297 L CB -0.690 41.218 42.059 -0.253 0.000 0.953 297 L HN 0.303 nan 8.230 nan 0.000 0.454 298 W N 0.965 122.172 121.300 -0.154 0.000 2.304 298 W HA -0.145 4.518 4.660 0.005 0.000 0.315 298 W C -0.238 176.224 176.519 -0.095 0.000 1.233 298 W CA 0.979 58.248 57.345 -0.128 0.000 1.261 298 W CB -2.408 26.992 29.460 -0.100 0.000 1.150 298 W HN 0.159 nan 8.180 nan 0.000 0.494 299 P HA -0.132 nan 4.420 nan 0.000 0.218 299 P C 1.714 179.045 177.300 0.052 0.000 1.149 299 P CA 1.831 64.983 63.100 0.086 0.000 0.817 299 P CB -0.015 31.720 31.700 0.057 0.000 0.785 300 R N -0.534 119.986 120.500 0.034 0.000 2.073 300 R HA 0.038 4.379 4.340 0.003 0.000 0.229 300 R C 2.353 178.658 176.300 0.009 0.000 1.120 300 R CA 0.961 57.068 56.100 0.012 0.000 0.967 300 R CB -1.640 28.649 30.300 -0.020 0.000 0.862 300 R HN 0.302 nan 8.270 nan 0.000 0.436 301 L N 0.462 121.678 121.223 -0.012 0.000 2.013 301 L HA -0.201 4.141 4.340 0.003 0.000 0.212 301 L C 2.722 179.616 176.870 0.040 0.000 1.073 301 L CA 1.623 56.448 54.840 -0.025 0.000 0.753 301 L CB -0.431 41.564 42.059 -0.107 0.000 0.890 301 L HN 0.173 nan 8.230 nan 0.000 0.432 302 R N -0.175 120.340 120.500 0.024 0.000 2.073 302 R HA -0.145 4.197 4.340 0.003 0.000 0.234 302 R C 2.318 178.680 176.300 0.103 0.000 1.134 302 R CA 1.210 57.347 56.100 0.060 0.000 0.952 302 R CB -0.367 29.951 30.300 0.028 0.000 0.850 302 R HN 0.293 nan 8.270 nan 0.000 0.433 303 L N -0.202 121.065 121.223 0.074 0.000 2.017 303 L HA -0.209 4.133 4.340 0.003 0.000 0.208 303 L C 2.658 179.585 176.870 0.094 0.000 1.073 303 L CA 1.330 56.210 54.840 0.067 0.000 0.745 303 L CB -0.562 41.529 42.059 0.054 0.000 0.894 303 L HN 0.245 nan 8.230 nan 0.000 0.432 304 S N -0.457 115.322 115.700 0.132 0.000 2.353 304 S HA -0.283 4.188 4.470 0.003 0.000 0.222 304 S C 1.863 176.653 174.600 0.316 0.000 1.035 304 S CA 1.500 59.834 58.200 0.224 0.000 1.025 304 S CB -0.511 62.823 63.200 0.223 0.000 0.902 304 S HN 0.588 nan 8.310 nan 0.000 0.440 305 W N 1.744 123.047 121.300 0.006 0.000 2.338 305 W HA -0.246 4.406 4.660 -0.014 0.000 0.304 305 W C 2.330 178.667 176.519 -0.303 0.000 1.212 305 W CA 1.688 58.850 57.345 -0.305 0.000 1.264 305 W CB -0.455 28.831 29.460 -0.291 0.000 1.142 305 W HN 0.563 nan 8.180 nan 0.000 0.512 306 Q N 0.477 120.198 119.800 -0.131 0.000 2.079 306 Q HA -0.189 4.153 4.340 0.003 0.000 0.200 306 Q C 2.307 178.178 176.000 -0.216 0.000 0.974 306 Q CA 1.760 57.414 55.803 -0.248 0.000 0.840 306 Q CB -0.280 28.406 28.738 -0.086 0.000 0.898 306 Q HN 0.235 nan 8.270 nan 0.000 0.430 307 R N -0.689 119.758 120.500 -0.090 0.000 2.140 307 R HA 0.126 4.467 4.340 0.003 0.000 0.213 307 R C 1.168 177.411 176.300 -0.095 0.000 1.059 307 R CA 0.505 56.582 56.100 -0.039 0.000 1.000 307 R CB 0.346 30.679 30.300 0.055 0.000 0.910 307 R HN 0.100 nan 8.270 nan 0.000 0.455 308 R N 0.682 121.132 120.500 -0.083 0.000 2.586 308 R HA 0.154 4.495 4.340 0.003 0.000 0.336 308 R C 1.134 177.354 176.300 -0.132 0.000 1.060 308 R CA -0.210 55.795 56.100 -0.159 0.000 1.079 308 R CB 0.340 30.831 30.300 0.318 0.000 1.317 308 R HN -0.015 nan 8.270 nan 0.000 0.568 309 R N 1.351 121.530 120.500 -0.534 0.000 2.159 309 R HA -0.186 4.155 4.340 0.003 0.000 0.249 309 R C 1.043 176.969 176.300 -0.623 0.000 1.136 309 R CA 1.882 57.407 56.100 -0.959 0.000 0.951 309 R CB -0.412 29.224 30.300 -1.106 0.000 0.876 309 R HN 0.353 nan 8.270 nan 0.000 0.440 310 H N -1.216 117.729 119.070 -0.209 0.000 2.519 310 H HA 0.127 4.681 4.556 -0.003 0.000 0.289 310 H C 0.390 175.879 175.328 0.267 0.000 1.040 310 H CA 0.375 56.450 56.048 0.044 0.000 1.165 310 H CB 0.063 29.848 29.762 0.039 0.000 1.462 310 H HN 0.594 nan 8.280 nan 0.000 0.555 311 H N -0.560 118.745 119.070 0.393 0.000 2.549 311 H HA 0.144 4.699 4.556 -0.001 0.000 0.279 311 H C 0.888 176.429 175.328 0.355 0.000 1.018 311 H CA -0.403 55.872 56.048 0.377 0.000 1.175 311 H CB 0.848 30.793 29.762 0.306 0.000 1.485 311 H HN 0.127 nan 8.280 nan 0.000 0.543 312 M N 1.772 121.637 119.600 0.442 0.000 2.238 312 M HA -0.026 4.456 4.480 0.003 0.000 0.350 312 M C 0.151 176.539 176.300 0.146 0.000 1.321 312 M CA 0.047 55.498 55.300 0.252 0.000 1.097 312 M CB 0.600 33.372 32.600 0.286 0.000 1.713 312 M HN 0.204 nan 8.290 nan 0.000 0.455 313 I N 2.248 122.827 120.570 0.015 0.000 2.512 313 I HA 0.119 4.291 4.170 0.003 0.000 0.247 313 I C 1.197 177.252 176.117 -0.102 0.000 1.094 313 I CA 0.942 62.096 61.300 -0.243 0.000 1.427 313 I CB -0.323 37.239 38.000 -0.730 0.000 1.149 313 I HN 0.717 nan 8.210 nan 0.000 0.438 314 T N -0.601 113.976 114.554 0.038 0.000 2.885 314 T HA 0.676 5.028 4.350 0.003 0.000 0.322 314 T C -0.797 174.064 174.700 0.268 0.000 1.387 314 T CA -0.260 61.943 62.100 0.172 0.000 1.041 314 T CB 1.893 70.890 68.868 0.214 0.000 1.287 314 T HN 0.394 nan 8.240 nan 0.000 0.491 315 G N 1.583 110.597 108.800 0.357 0.000 2.687 315 G HA2 0.726 4.688 3.960 0.003 0.000 0.291 315 G HA3 0.726 4.688 3.960 0.003 0.000 0.291 315 G C -1.845 173.297 174.900 0.403 0.000 1.420 315 G CA -0.721 44.594 45.100 0.359 0.000 0.796 315 G HN 0.724 nan 8.290 nan 0.000 0.485 316 R N 0.173 120.854 120.500 0.302 0.000 2.514 316 R HA 0.490 4.832 4.340 0.003 0.000 0.296 316 R C -0.584 175.736 176.300 0.033 0.000 1.012 316 R CA -0.583 55.547 56.100 0.049 0.000 0.897 316 R CB 1.446 31.696 30.300 -0.085 0.000 1.184 316 R HN 0.554 nan 8.270 nan 0.000 0.440 317 M N 2.663 122.188 119.600 -0.125 0.000 2.318 317 M HA 0.347 4.828 4.480 0.003 0.000 0.347 317 M C -0.814 175.331 176.300 -0.257 0.000 1.175 317 M CA -0.690 54.440 55.300 -0.282 0.000 1.075 317 M CB 1.481 33.724 32.600 -0.596 0.000 1.614 317 M HN 0.279 nan 8.290 nan 0.000 0.456 318 D N 2.523 122.758 120.400 -0.275 0.000 2.233 318 D HA 0.583 5.224 4.640 0.003 0.000 0.240 318 D C -1.159 175.007 176.300 -0.222 0.000 1.074 318 D CA 0.196 54.144 54.000 -0.087 0.000 0.838 318 D CB 1.089 41.935 40.800 0.077 0.000 1.124 318 D HN 0.272 nan 8.370 nan 0.000 0.475 319 F N 0.207 120.085 119.950 -0.120 0.000 2.611 319 F HA 0.390 4.891 4.527 -0.044 0.000 0.324 319 F C -0.012 175.600 175.800 -0.312 0.000 1.061 319 F CA -1.108 56.706 58.000 -0.310 0.000 0.954 319 F CB 1.601 40.465 39.000 -0.228 0.000 1.301 319 F HN 0.201 nan 8.300 nan 0.000 0.482 320 C N 4.063 123.248 119.300 -0.190 0.000 2.322 320 C HA 0.813 5.274 4.460 0.003 0.000 0.324 320 C C -0.622 174.418 174.990 0.084 0.000 1.284 320 C CA -0.583 58.435 59.018 0.001 0.000 1.606 320 C CB -0.230 27.585 27.740 0.125 0.000 2.251 320 C HN 0.837 nan 8.230 nan 0.000 0.502 321 M N 6.954 126.605 119.600 0.084 0.000 2.267 321 M HA 0.561 5.043 4.480 0.003 0.000 0.289 321 M C -1.699 174.643 176.300 0.071 0.000 1.043 321 M CA 0.064 55.393 55.300 0.048 0.000 0.928 321 M CB 1.507 34.072 32.600 -0.058 0.000 1.613 321 M HN 0.972 nan 8.290 nan 0.000 0.450 322 D N 1.809 122.269 120.400 0.100 0.000 2.809 322 D HA 0.058 4.700 4.640 0.003 0.000 0.336 322 D C 0.134 176.485 176.300 0.085 0.000 1.367 322 D CA -0.222 53.822 54.000 0.074 0.000 0.815 322 D CB 0.130 40.972 40.800 0.069 0.000 1.381 322 D HN 0.687 nan 8.370 nan 0.000 0.471 323 E N 0.041 120.275 120.200 0.057 0.000 2.233 323 E HA -0.293 4.059 4.350 0.003 0.000 0.199 323 E C 1.181 177.829 176.600 0.081 0.000 1.004 323 E CA 1.126 57.558 56.400 0.053 0.000 0.819 323 E CB -0.328 29.389 29.700 0.029 0.000 0.738 323 E HN 0.393 nan 8.360 nan 0.000 0.478 324 R N 0.784 121.350 120.500 0.110 0.000 2.280 324 R HA 0.167 4.508 4.340 0.003 0.000 0.207 324 R C 1.007 177.490 176.300 0.304 0.000 1.043 324 R CA 0.440 56.646 56.100 0.177 0.000 1.006 324 R CB 0.262 30.644 30.300 0.136 0.000 0.885 324 R HN 0.364 nan 8.270 nan 0.000 0.467 325 G N 0.500 109.449 108.800 0.248 0.000 2.306 325 G HA2 -0.088 3.874 3.960 0.003 0.000 0.262 325 G HA3 -0.088 3.874 3.960 0.003 0.000 0.262 325 G C -2.044 172.974 174.900 0.196 0.000 1.263 325 G CA -0.852 44.377 45.100 0.215 0.000 1.088 325 G HN 0.041 nan 8.290 nan 0.000 0.489 326 L N 0.545 121.863 121.223 0.159 0.000 2.372 326 L HA 0.835 5.177 4.340 0.003 0.000 0.274 326 L C -0.729 176.196 176.870 0.092 0.000 0.988 326 L CA -0.966 53.928 54.840 0.089 0.000 0.833 326 L CB 1.471 43.535 42.059 0.009 0.000 1.236 326 L HN 0.551 nan 8.230 nan 0.000 0.410 327 K N 3.829 124.187 120.400 -0.069 0.000 2.316 327 K HA 0.551 4.873 4.320 0.003 0.000 0.251 327 K C -1.329 175.176 176.600 -0.159 0.000 0.934 327 K CA -0.679 55.456 56.287 -0.254 0.000 0.802 327 K CB 2.712 34.692 32.500 -0.867 0.000 1.171 327 K HN 0.367 nan 8.250 nan 0.000 0.426 328 V N 4.749 124.553 119.914 -0.184 0.000 2.370 328 V HA 0.178 4.300 4.120 0.003 0.000 0.279 328 V C 0.106 176.041 176.094 -0.265 0.000 1.029 328 V CA -0.086 61.947 62.300 -0.446 0.000 0.870 328 V CB 0.515 32.038 31.823 -0.501 0.000 0.984 328 V HN 0.641 nan 8.190 nan 0.000 0.451 329 Y N 4.550 124.738 120.300 -0.188 0.000 2.206 329 Y HA 0.179 4.731 4.550 0.003 0.000 0.292 329 Y C 1.232 177.089 175.900 -0.072 0.000 1.123 329 Y CA 0.844 58.885 58.100 -0.097 0.000 1.142 329 Y CB 0.113 38.531 38.460 -0.069 0.000 1.006 329 Y HN 0.816 nan 8.280 nan 0.000 0.518 330 E N -2.809 117.434 120.200 0.071 0.000 2.439 330 E HA 0.262 4.614 4.350 0.003 0.000 0.279 330 E C -2.041 174.556 176.600 -0.004 0.000 1.077 330 E CA -1.067 55.382 56.400 0.081 0.000 0.849 330 E CB 1.288 31.020 29.700 0.052 0.000 1.408 330 E HN -0.125 nan 8.360 nan 0.000 0.457 331 Y N 1.843 122.020 120.300 -0.206 0.000 2.402 331 Y HA 0.398 4.965 4.550 0.028 0.000 0.325 331 Y C -1.285 174.487 175.900 -0.214 0.000 1.009 331 Y CA -1.967 55.903 58.100 -0.383 0.000 1.278 331 Y CB 0.968 38.833 38.460 -0.992 0.000 1.105 331 Y HN 0.562 nan 8.280 nan 0.000 0.476 332 N N 5.207 123.937 118.700 0.049 0.000 2.671 332 N HA 0.181 4.923 4.740 0.003 0.000 0.274 332 N C 0.664 176.081 175.510 -0.155 0.000 1.188 332 N CA 0.482 53.504 53.050 -0.047 0.000 1.065 332 N CB 1.162 39.659 38.487 0.017 0.000 1.415 332 N HN 0.730 nan 8.380 nan 0.000 0.511 333 A N 0.594 123.158 122.820 -0.428 0.000 2.195 333 A HA -0.051 4.271 4.320 0.003 0.000 0.210 333 A C 1.664 179.102 177.584 -0.244 0.000 1.165 333 A CA 0.406 52.092 52.037 -0.586 0.000 0.806 333 A CB 0.230 18.628 19.000 -1.003 0.000 0.847 333 A HN 0.381 nan 8.150 nan 0.000 0.482 334 D N 0.677 120.999 120.400 -0.130 0.000 2.297 334 D HA -0.016 4.626 4.640 0.003 0.000 0.233 334 D C 0.817 177.116 176.300 -0.002 0.000 1.056 334 D CA 1.601 55.584 54.000 -0.029 0.000 0.938 334 D CB -0.022 40.801 40.800 0.038 0.000 1.048 334 D HN 0.265 nan 8.370 nan 0.000 0.442 335 S N 0.207 115.904 115.700 -0.005 0.000 2.516 335 S HA 0.800 5.271 4.470 0.003 0.000 0.268 335 S C -0.341 174.305 174.600 0.077 0.000 1.251 335 S CA -0.771 57.436 58.200 0.012 0.000 1.153 335 S CB 1.134 64.294 63.200 -0.065 0.000 1.009 335 S HN 0.425 nan 8.310 nan 0.000 0.479 336 A N 2.755 125.690 122.820 0.191 0.000 2.325 336 A HA 0.915 5.237 4.320 0.003 0.000 0.333 336 A C 0.428 178.201 177.584 0.315 0.000 1.155 336 A CA -0.592 51.584 52.037 0.232 0.000 0.814 336 A CB 1.273 20.456 19.000 0.305 0.000 1.206 336 A HN 1.185 nan 8.150 nan 0.000 0.482 337 S N -0.944 114.844 115.700 0.148 0.000 2.855 337 S HA 0.633 5.105 4.470 0.003 0.000 0.308 337 S C 0.441 175.201 174.600 0.267 0.000 1.077 337 S CA 0.090 58.274 58.200 -0.026 0.000 0.896 337 S CB 0.753 63.623 63.200 -0.550 0.000 1.339 337 S HN 1.776 nan 8.310 nan 0.000 0.602 338 C N 0.116 119.513 119.300 0.162 0.000 5.724 338 C HA -0.118 4.343 4.460 0.003 0.000 0.211 338 C C 1.664 176.744 174.990 0.150 0.000 1.181 338 C CA 0.636 59.775 59.018 0.202 0.000 1.117 338 C CB -3.027 24.849 27.740 0.226 0.000 2.131 338 C HN 0.988 nan 8.230 nan 0.000 0.648 339 H N 0.211 119.231 119.070 -0.082 0.000 2.352 339 H HA -0.150 4.405 4.556 -0.002 0.000 0.299 339 H C 1.950 176.734 175.328 -0.907 0.000 1.097 339 H CA 1.963 57.678 56.048 -0.554 0.000 1.311 339 H CB -0.172 29.392 29.762 -0.329 0.000 1.377 339 H HN 0.653 nan 8.280 nan 0.000 0.504 340 T N 0.942 115.059 114.554 -0.728 0.000 2.737 340 T HA -0.116 4.236 4.350 0.003 0.000 0.265 340 T C 1.896 176.362 174.700 -0.389 0.000 1.038 340 T CA 1.365 62.993 62.100 -0.787 0.000 1.144 340 T CB -0.133 68.657 68.868 -0.131 0.000 0.866 340 T HN 0.320 nan 8.240 nan 0.000 0.434 341 E N 1.434 121.528 120.200 -0.177 0.000 2.038 341 E HA -0.061 4.291 4.350 0.003 0.000 0.195 341 E C 2.400 178.928 176.600 -0.119 0.000 1.000 341 E CA 1.429 57.743 56.400 -0.142 0.000 0.803 341 E CB -0.538 29.163 29.700 0.001 0.000 0.750 341 E HN 0.492 nan 8.360 nan 0.000 0.448 342 A N -0.006 122.772 122.820 -0.070 0.000 1.897 342 A HA 0.022 4.344 4.320 0.003 0.000 0.215 342 A C 2.301 179.863 177.584 -0.036 0.000 1.181 342 A CA 1.599 53.629 52.037 -0.011 0.000 0.620 342 A CB -0.751 18.341 19.000 0.154 0.000 0.821 342 A HN 0.335 nan 8.150 nan 0.000 0.443 343 G N -2.009 106.729 108.800 -0.103 0.000 3.088 343 G HA2 0.335 4.297 3.960 0.003 0.000 0.217 343 G HA3 0.335 4.297 3.960 0.003 0.000 0.217 343 G C 0.976 175.938 174.900 0.103 0.000 1.159 343 G CA 0.984 46.101 45.100 0.029 0.000 0.760 343 G HN 0.435 nan 8.290 nan 0.000 0.550 344 L N -0.708 120.518 121.223 0.006 0.000 2.932 344 L HA 0.427 4.768 4.340 0.003 0.000 0.168 344 L C 2.126 178.986 176.870 -0.017 0.000 1.125 344 L CA 0.283 55.153 54.840 0.050 0.000 0.868 344 L CB -0.391 41.724 42.059 0.093 0.000 1.496 344 L HN -0.068 nan 8.230 nan 0.000 0.519 345 I N 0.912 121.384 120.570 -0.163 0.000 2.194 345 I HA -0.295 3.876 4.170 0.003 0.000 0.246 345 I C 2.563 178.723 176.117 0.071 0.000 1.093 345 I CA 1.805 62.993 61.300 -0.186 0.000 1.355 345 I CB -1.311 36.365 38.000 -0.541 0.000 1.046 345 I HN 0.330 nan 8.210 nan 0.000 0.413 346 L N 0.064 121.307 121.223 0.033 0.000 2.291 346 L HA -0.134 4.208 4.340 0.003 0.000 0.214 346 L C 2.636 179.658 176.870 0.253 0.000 1.120 346 L CA 0.784 55.694 54.840 0.116 0.000 0.799 346 L CB -0.364 41.680 42.059 -0.026 0.000 0.925 346 L HN 0.236 nan 8.230 nan 0.000 0.446 347 E N 0.078 120.385 120.200 0.179 0.000 2.047 347 E HA -0.226 4.126 4.350 0.003 0.000 0.191 347 E C 2.185 178.919 176.600 0.223 0.000 0.987 347 E CA 0.871 57.381 56.400 0.184 0.000 0.799 347 E CB -0.082 29.697 29.700 0.132 0.000 0.752 347 E HN 0.196 nan 8.360 nan 0.000 0.449 348 R N 0.540 121.185 120.500 0.242 0.000 2.081 348 R HA -0.163 4.179 4.340 0.003 0.000 0.235 348 R C 1.952 178.529 176.300 0.462 0.000 1.131 348 R CA 1.697 57.979 56.100 0.303 0.000 0.960 348 R CB -1.167 29.295 30.300 0.269 0.000 0.856 348 R HN 0.281 nan 8.270 nan 0.000 0.436 349 W N 0.654 122.166 121.300 0.352 0.000 2.317 349 W HA -0.220 4.443 4.660 0.004 0.000 0.318 349 W C 1.997 178.609 176.519 0.155 0.000 1.227 349 W CA 2.852 60.309 57.345 0.187 0.000 1.269 349 W CB -0.771 28.650 29.460 -0.065 0.000 1.155 349 W HN 0.184 nan 8.180 nan 0.000 0.484 350 A N 0.320 123.296 122.820 0.260 0.000 1.883 350 A HA -0.303 4.019 4.320 0.003 0.000 0.217 350 A C 2.010 179.555 177.584 -0.065 0.000 1.186 350 A CA 2.181 54.211 52.037 -0.012 0.000 0.624 350 A CB -1.390 17.737 19.000 0.212 0.000 0.822 350 A HN 0.618 nan 8.150 nan 0.000 0.444 351 E N -0.908 119.315 120.200 0.039 0.000 2.110 351 E HA -0.311 4.041 4.350 0.003 0.000 0.193 351 E C 2.063 178.621 176.600 -0.069 0.000 0.988 351 E CA 1.639 58.045 56.400 0.010 0.000 0.804 351 E CB -0.171 29.565 29.700 0.060 0.000 0.745 351 E HN 0.592 nan 8.360 nan 0.000 0.458 352 Q N -0.308 119.443 119.800 -0.081 0.000 2.137 352 Q HA 0.039 4.381 4.340 0.003 0.000 0.198 352 Q C 1.671 177.367 176.000 -0.506 0.000 0.960 352 Q CA 1.844 57.520 55.803 -0.211 0.000 0.847 352 Q CB 0.154 28.862 28.738 -0.050 0.000 0.915 352 Q HN 0.320 nan 8.270 nan 0.000 0.448 353 G N -1.984 106.446 108.800 -0.617 0.000 3.215 353 G HA2 0.041 4.003 3.960 0.003 0.000 0.236 353 G HA3 0.041 4.003 3.960 0.003 0.000 0.236 353 G C -0.722 173.859 174.900 -0.532 0.000 1.029 353 G CA -0.305 44.375 45.100 -0.700 0.000 0.909 353 G HN 0.272 nan 8.290 nan 0.000 0.543 354 Y N 2.022 121.920 120.300 -0.669 0.000 2.323 354 Y HA 0.464 5.017 4.550 0.006 0.000 0.331 354 Y C 1.220 176.954 175.900 -0.276 0.000 1.092 354 Y CA -0.637 57.148 58.100 -0.525 0.000 1.150 354 Y CB 1.327 39.458 38.460 -0.548 0.000 1.200 354 Y HN 0.063 nan 8.280 nan 0.000 0.472 355 K N 2.756 122.664 120.400 -0.820 0.000 2.477 355 K HA 0.370 4.691 4.320 0.003 0.000 0.208 355 K C 0.578 176.763 176.600 -0.691 0.000 1.117 355 K CA -0.067 55.882 56.287 -0.564 0.000 1.039 355 K CB 0.647 32.953 32.500 -0.323 0.000 0.937 355 K HN 0.708 nan 8.250 nan 0.000 0.570 356 G N 1.377 109.310 108.800 -1.445 0.000 2.525 356 G HA2 -0.008 3.954 3.960 0.003 0.000 0.276 356 G HA3 -0.008 3.954 3.960 0.003 0.000 0.276 356 G C 0.174 174.947 174.900 -0.212 0.000 1.388 356 G CA -0.461 44.166 45.100 -0.788 0.000 1.050 356 G HN 0.128 nan 8.290 nan 0.000 0.520 357 N N -0.133 118.634 118.700 0.112 0.000 2.392 357 N HA 0.051 4.793 4.740 0.003 0.000 0.177 357 N C 1.389 177.108 175.510 0.347 0.000 1.066 357 N CA 0.499 53.668 53.050 0.197 0.000 0.895 357 N CB 0.118 38.693 38.487 0.146 0.000 0.988 357 N HN 0.496 nan 8.380 nan 0.000 0.457 358 G N 0.547 109.637 108.800 0.483 0.000 2.631 358 G HA2 0.384 4.346 3.960 0.003 0.000 0.271 358 G HA3 0.384 4.346 3.960 0.003 0.000 0.271 358 G C -0.462 174.665 174.900 0.379 0.000 1.302 358 G CA -0.212 45.096 45.100 0.348 0.000 1.002 358 G HN 0.184 nan 8.290 nan 0.000 0.519 359 F N -2.593 117.404 119.950 0.078 0.000 2.645 359 F HA 0.536 5.060 4.527 -0.005 0.000 0.310 359 F C -0.711 175.109 175.800 0.034 0.000 1.102 359 F CA -2.063 55.976 58.000 0.065 0.000 0.952 359 F CB 1.290 40.340 39.000 0.083 0.000 1.326 359 F HN 0.365 nan 8.300 nan 0.000 0.456 360 N N 3.911 122.695 118.700 0.140 0.000 2.416 360 N HA 0.245 4.987 4.740 0.003 0.000 0.265 360 N C -1.684 173.932 175.510 0.177 0.000 1.195 360 N CA -2.483 50.610 53.050 0.072 0.000 0.943 360 N CB 0.785 39.347 38.487 0.126 0.000 1.115 360 N HN 0.481 nan 8.380 nan 0.000 0.481 361 P HA -0.035 nan 4.420 nan 0.000 0.239 361 P C 0.082 177.518 177.300 0.227 0.000 1.184 361 P CA 0.627 63.857 63.100 0.216 0.000 0.760 361 P CB 0.222 31.978 31.700 0.094 0.000 0.884 362 A N 0.153 123.065 122.820 0.153 0.000 2.430 362 A HA 0.074 4.395 4.320 0.003 0.000 0.243 362 A C 2.040 179.682 177.584 0.096 0.000 1.254 362 A CA -0.175 51.925 52.037 0.106 0.000 0.914 362 A CB -0.606 18.452 19.000 0.096 0.000 0.998 362 A HN 0.226 nan 8.150 nan 0.000 0.515 363 E N -0.011 120.274 120.200 0.143 0.000 2.130 363 E HA -0.177 4.174 4.350 0.003 0.000 0.196 363 E C 1.358 178.013 176.600 0.091 0.000 0.998 363 E CA 1.520 57.996 56.400 0.126 0.000 0.806 363 E CB -0.454 29.340 29.700 0.156 0.000 0.738 363 E HN 0.359 nan 8.360 nan 0.000 0.459 364 G N 0.836 109.683 108.800 0.078 0.000 3.371 364 G HA2 0.108 4.069 3.960 0.003 0.000 0.248 364 G HA3 0.108 4.069 3.960 0.003 0.000 0.248 364 G C 1.126 176.041 174.900 0.025 0.000 1.161 364 G CA -0.118 45.009 45.100 0.045 0.000 0.796 364 G HN 0.158 nan 8.290 nan 0.000 0.539 365 L N 0.642 121.883 121.223 0.031 0.000 2.013 365 L HA -0.056 4.286 4.340 0.003 0.000 0.212 365 L C 2.464 179.345 176.870 0.018 0.000 1.073 365 L CA 1.602 56.448 54.840 0.010 0.000 0.753 365 L CB -0.431 41.617 42.059 -0.018 0.000 0.890 365 L HN 0.245 nan 8.230 nan 0.000 0.432 366 I N -0.290 120.289 120.570 0.016 0.000 2.286 366 I HA -0.289 3.882 4.170 0.003 0.000 0.248 366 I C 2.074 178.117 176.117 -0.124 0.000 1.115 366 I CA 1.376 62.566 61.300 -0.183 0.000 1.392 366 I CB -0.446 37.383 38.000 -0.285 0.000 1.065 366 I HN 0.383 nan 8.210 nan 0.000 0.418 367 N N 0.255 118.921 118.700 -0.056 0.000 2.216 367 N HA -0.177 4.565 4.740 0.003 0.000 0.183 367 N C 1.858 177.357 175.510 -0.018 0.000 1.017 367 N CA 0.964 53.995 53.050 -0.032 0.000 0.861 367 N CB -0.341 38.139 38.487 -0.013 0.000 0.986 367 N HN 0.316 nan 8.380 nan 0.000 0.428 368 E N 1.070 121.258 120.200 -0.020 0.000 2.085 368 E HA -0.041 4.310 4.350 0.003 0.000 0.194 368 E C 1.999 178.576 176.600 -0.038 0.000 0.994 368 E CA 0.786 57.174 56.400 -0.020 0.000 0.801 368 E CB -0.332 29.353 29.700 -0.025 0.000 0.743 368 E HN 0.311 nan 8.360 nan 0.000 0.453 369 L N -0.484 120.701 121.223 -0.063 0.000 2.093 369 L HA -0.130 4.212 4.340 0.003 0.000 0.208 369 L C 2.425 179.275 176.870 -0.033 0.000 1.085 369 L CA 1.061 55.835 54.840 -0.109 0.000 0.755 369 L CB -0.541 41.435 42.059 -0.138 0.000 0.904 369 L HN 0.150 nan 8.230 nan 0.000 0.435 370 A N 0.414 123.242 122.820 0.013 0.000 1.908 370 A HA -0.158 4.163 4.320 0.003 0.000 0.218 370 A C 2.408 180.074 177.584 0.137 0.000 1.181 370 A CA 1.874 53.965 52.037 0.089 0.000 0.627 370 A CB -1.263 17.754 19.000 0.028 0.000 0.818 370 A HN 0.448 nan 8.150 nan 0.000 0.445 371 G N -0.629 108.232 108.800 0.102 0.000 2.404 371 G HA2 0.027 3.989 3.960 0.003 0.000 0.215 371 G HA3 0.027 3.989 3.960 0.003 0.000 0.215 371 G C 1.785 176.818 174.900 0.222 0.000 1.174 371 G CA 1.434 46.645 45.100 0.184 0.000 0.780 371 G HN 0.814 nan 8.290 nan 0.000 0.537 372 A N 0.257 123.107 122.820 0.049 0.000 1.892 372 A HA -0.125 4.197 4.320 0.003 0.000 0.218 372 A C 2.234 179.778 177.584 -0.066 0.000 1.188 372 A CA 1.606 53.610 52.037 -0.055 0.000 0.631 372 A CB -0.809 18.039 19.000 -0.253 0.000 0.822 372 A HN 0.568 nan 8.150 nan 0.000 0.447 373 W N -0.198 121.045 121.300 -0.095 0.000 2.381 373 W HA -0.101 4.577 4.660 0.030 0.000 0.301 373 W C 2.405 178.933 176.519 0.016 0.000 1.205 373 W CA 1.294 58.490 57.345 -0.247 0.000 1.285 373 W CB -0.044 29.148 29.460 -0.446 0.000 1.133 373 W HN 0.238 nan 8.180 nan 0.000 0.521 374 K N -0.686 119.921 120.400 0.345 0.000 2.074 374 K HA -0.207 4.115 4.320 0.003 0.000 0.209 374 K C 1.047 177.655 176.600 0.013 0.000 1.048 374 K CA 1.679 58.074 56.287 0.180 0.000 0.926 374 K CB -0.456 32.009 32.500 -0.059 0.000 0.713 374 K HN 0.294 nan 8.250 nan 0.000 0.444 375 H N -0.346 118.824 119.070 0.166 0.000 2.517 375 H HA 0.106 4.665 4.556 0.005 0.000 0.282 375 H C 0.518 175.909 175.328 0.105 0.000 1.023 375 H CA -0.161 55.949 56.048 0.102 0.000 1.169 375 H CB 0.263 30.070 29.762 0.075 0.000 1.454 375 H HN 0.119 nan 8.280 nan 0.000 0.556 376 S N 0.065 115.898 115.700 0.222 0.000 2.652 376 S HA 0.259 4.731 4.470 0.003 0.000 0.267 376 S C 0.954 175.672 174.600 0.197 0.000 1.201 376 S CA -0.879 57.439 58.200 0.197 0.000 0.996 376 S CB 1.347 64.597 63.200 0.083 0.000 1.054 376 S HN 0.224 nan 8.310 nan 0.000 0.561 377 R N 0.502 121.090 120.500 0.147 0.000 2.791 377 R HA 0.415 4.757 4.340 0.003 0.000 0.357 377 R C 0.291 176.774 176.300 0.306 0.000 1.173 377 R CA -0.159 56.026 56.100 0.141 0.000 1.060 377 R CB -0.306 29.975 30.300 -0.032 0.000 1.406 377 R HN 0.759 nan 8.270 nan 0.000 0.580 378 A N 1.253 124.326 122.820 0.421 0.000 2.448 378 A HA 0.234 4.556 4.320 0.003 0.000 0.239 378 A C 0.497 178.331 177.584 0.416 0.000 1.080 378 A CA -0.078 52.229 52.037 0.449 0.000 0.779 378 A CB 0.430 19.382 19.000 -0.080 0.000 1.026 378 A HN 0.264 nan 8.150 nan 0.000 0.499 379 R N 1.068 121.786 120.500 0.363 0.000 2.649 379 R HA 0.321 4.663 4.340 0.003 0.000 0.270 379 R C -1.669 174.831 176.300 0.333 0.000 1.105 379 R CA -1.056 55.222 56.100 0.296 0.000 1.193 379 R CB -0.029 30.424 30.300 0.256 0.000 1.120 379 R HN 0.474 nan 8.270 nan 0.000 0.561 380 P HA -0.181 nan 4.420 nan 0.000 0.216 380 P C -0.412 177.016 177.300 0.213 0.000 1.153 380 P CA 1.336 64.524 63.100 0.148 0.000 0.858 380 P CB 0.152 31.912 31.700 0.099 0.000 0.789 381 F N -0.338 119.673 119.950 0.102 0.000 2.402 381 F HA 0.393 4.922 4.527 0.004 0.000 0.355 381 F C -0.769 175.068 175.800 0.062 0.000 1.123 381 F CA -1.062 56.970 58.000 0.052 0.000 1.021 381 F CB 1.112 40.123 39.000 0.019 0.000 1.160 381 F HN -0.454 nan 8.300 nan 0.000 0.451 382 V N 5.678 125.450 119.914 -0.237 0.000 2.347 382 V HA 0.227 4.348 4.120 0.003 0.000 0.280 382 V C -0.574 175.439 176.094 -0.134 0.000 1.021 382 V CA -0.727 61.511 62.300 -0.104 0.000 0.847 382 V CB 0.979 32.596 31.823 -0.344 0.000 0.990 382 V HN 0.620 nan 8.190 nan 0.000 0.444 383 H N 4.215 123.373 119.070 0.147 0.000 2.690 383 H HA 0.477 5.034 4.556 0.002 0.000 0.314 383 H C -0.064 175.321 175.328 0.096 0.000 1.069 383 H CA -0.006 56.136 56.048 0.156 0.000 1.436 383 H CB 0.835 30.715 29.762 0.196 0.000 1.462 383 H HN 0.533 nan 8.280 nan 0.000 0.511 384 I N 4.544 125.208 120.570 0.157 0.000 2.315 384 I HA 0.158 4.329 4.170 0.003 0.000 0.291 384 I C -0.124 176.074 176.117 0.136 0.000 1.006 384 I CA -0.027 61.381 61.300 0.181 0.000 1.265 384 I CB 0.613 38.703 38.000 0.150 0.000 1.387 384 I HN 0.460 nan 8.210 nan 0.000 0.475 385 M N 7.500 127.147 119.600 0.078 0.000 2.066 385 M HA 0.330 4.812 4.480 0.003 0.000 0.340 385 M C -0.446 175.808 176.300 -0.076 0.000 1.053 385 M CA -0.478 54.879 55.300 0.095 0.000 0.983 385 M CB 1.325 34.041 32.600 0.193 0.000 1.520 385 M HN 0.562 nan 8.290 nan 0.000 0.428 386 Q N 0.682 120.410 119.800 -0.120 0.000 2.445 386 Q HA 0.615 4.956 4.340 0.003 0.000 0.281 386 Q C -1.292 174.418 176.000 -0.483 0.000 1.101 386 Q CA -1.119 54.431 55.803 -0.421 0.000 0.833 386 Q CB 1.893 30.483 28.738 -0.247 0.000 1.416 386 Q HN 0.398 nan 8.270 nan 0.000 0.451 387 D N 0.005 119.912 120.400 -0.822 0.000 2.388 387 D HA 0.188 4.830 4.640 0.003 0.000 0.254 387 D C -0.858 175.282 176.300 -0.268 0.000 1.111 387 D CA -0.518 53.080 54.000 -0.670 0.000 0.993 387 D CB 1.112 41.354 40.800 -0.929 0.000 1.118 387 D HN 0.442 nan 8.370 nan 0.000 0.502 388 K N 1.804 122.129 120.400 -0.126 0.000 2.180 388 K HA 0.253 4.575 4.320 0.003 0.000 0.250 388 K C -0.937 175.612 176.600 -0.086 0.000 1.135 388 K CA -0.307 55.937 56.287 -0.072 0.000 1.037 388 K CB 0.383 32.873 32.500 -0.017 0.000 1.624 388 K HN 0.221 nan 8.250 nan 0.000 0.382 389 D N 2.156 122.487 120.400 -0.115 0.000 2.936 389 D HA 0.068 4.710 4.640 0.003 0.000 0.238 389 D C 0.980 177.225 176.300 -0.092 0.000 1.248 389 D CA -0.512 53.425 54.000 -0.105 0.000 0.903 389 D CB 1.562 42.275 40.800 -0.144 0.000 1.544 389 D HN 0.173 nan 8.370 nan 0.000 0.543 390 I N -0.035 120.502 120.570 -0.055 0.000 2.530 390 I HA -0.176 3.995 4.170 0.003 0.000 0.257 390 I C 1.523 177.622 176.117 -0.030 0.000 1.179 390 I CA 1.315 62.599 61.300 -0.027 0.000 1.440 390 I CB -0.664 37.333 38.000 -0.005 0.000 1.087 390 I HN 0.245 nan 8.210 nan 0.000 0.440 391 E N 1.261 121.415 120.200 -0.076 0.000 2.150 391 E HA -0.141 4.210 4.350 0.003 0.000 0.193 391 E C 1.961 178.315 176.600 -0.410 0.000 0.985 391 E CA 1.200 57.518 56.400 -0.137 0.000 0.814 391 E CB -0.246 29.392 29.700 -0.102 0.000 0.752 391 E HN 0.641 nan 8.360 nan 0.000 0.466 392 E N 0.328 120.361 120.200 -0.278 0.000 2.371 392 E HA -0.033 4.319 4.350 0.003 0.000 0.194 392 E C 1.316 177.793 176.600 -0.206 0.000 1.012 392 E CA 0.053 56.290 56.400 -0.271 0.000 0.860 392 E CB 0.104 29.661 29.700 -0.239 0.000 0.811 392 E HN 0.199 nan 8.360 nan 0.000 0.502 393 N N 1.064 119.678 118.700 -0.142 0.000 2.069 393 N HA -0.205 4.537 4.740 0.003 0.000 0.191 393 N C 1.784 177.320 175.510 0.043 0.000 1.031 393 N CA 1.437 54.471 53.050 -0.027 0.000 0.852 393 N CB -0.501 38.007 38.487 0.035 0.000 1.018 393 N HN 0.447 nan 8.380 nan 0.000 0.423 394 Y N -1.125 119.229 120.300 0.090 0.000 2.373 394 Y HA 0.077 4.628 4.550 0.000 0.000 0.293 394 Y C 2.361 178.381 175.900 0.200 0.000 1.129 394 Y CA 1.014 59.194 58.100 0.134 0.000 1.226 394 Y CB -0.971 37.587 38.460 0.163 0.000 1.000 394 Y HN 0.266 nan 8.280 nan 0.000 0.549 395 H N 0.706 119.641 119.070 -0.225 0.000 2.326 395 H HA -0.073 4.481 4.556 -0.003 0.000 0.301 395 H C 2.255 177.664 175.328 0.135 0.000 1.081 395 H CA 1.068 57.099 56.048 -0.029 0.000 1.334 395 H CB 0.045 29.725 29.762 -0.138 0.000 1.385 395 H HN 0.472 nan 8.280 nan 0.000 0.504 396 A N 1.000 123.869 122.820 0.081 0.000 1.883 396 A HA -0.236 4.085 4.320 0.003 0.000 0.217 396 A C 2.341 179.915 177.584 -0.018 0.000 1.186 396 A CA 1.899 54.002 52.037 0.110 0.000 0.624 396 A CB -0.706 18.343 19.000 0.082 0.000 0.822 396 A HN 0.597 nan 8.150 nan 0.000 0.444 397 Q N -2.090 117.723 119.800 0.022 0.000 2.167 397 Q HA -0.123 4.218 4.340 0.003 0.000 0.202 397 Q C 1.877 177.859 176.000 -0.030 0.000 0.970 397 Q CA 1.474 57.268 55.803 -0.015 0.000 0.855 397 Q CB -0.259 28.512 28.738 0.056 0.000 0.911 397 Q HN 0.777 nan 8.270 nan 0.000 0.438 398 F N 0.709 120.605 119.950 -0.090 0.000 2.113 398 F HA -0.215 4.308 4.527 -0.007 0.000 0.297 398 F C 2.166 177.812 175.800 -0.256 0.000 1.103 398 F CA 1.297 59.236 58.000 -0.102 0.000 1.248 398 F CB -0.056 38.952 39.000 0.013 0.000 0.999 398 F HN 0.039 nan 8.300 nan 0.000 0.475 399 M N 0.961 120.380 119.600 -0.302 0.000 2.159 399 M HA -0.158 4.324 4.480 0.003 0.000 0.263 399 M C 2.166 178.068 176.300 -0.663 0.000 1.063 399 M CA 1.893 56.797 55.300 -0.661 0.000 1.110 399 M CB -0.813 30.990 32.600 -1.329 0.000 1.374 399 M HN 0.402 nan 8.290 nan 0.000 0.411 400 E N -0.799 119.070 120.200 -0.551 0.000 2.110 400 E HA -0.289 4.063 4.350 0.003 0.000 0.193 400 E C 2.061 178.218 176.600 -0.739 0.000 0.988 400 E CA 1.491 57.506 56.400 -0.642 0.000 0.804 400 E CB -0.233 29.152 29.700 -0.524 0.000 0.745 400 E HN 0.757 nan 8.360 nan 0.000 0.458 401 Q N -0.205 119.270 119.800 -0.543 0.000 2.079 401 Q HA -0.157 4.185 4.340 0.003 0.000 0.200 401 Q C 2.045 177.823 176.000 -0.369 0.000 0.974 401 Q CA 1.410 56.964 55.803 -0.416 0.000 0.840 401 Q CB -0.156 28.383 28.738 -0.332 0.000 0.898 401 Q HN 0.370 nan 8.270 nan 0.000 0.430 402 A N 0.475 123.023 122.820 -0.454 0.000 1.930 402 A HA -0.132 4.190 4.320 0.003 0.000 0.217 402 A C 2.006 179.437 177.584 -0.256 0.000 1.175 402 A CA 0.931 52.781 52.037 -0.312 0.000 0.627 402 A CB -0.612 18.211 19.000 -0.295 0.000 0.815 402 A HN 0.432 nan 8.150 nan 0.000 0.443 403 L N -1.408 119.507 121.223 -0.514 0.000 2.046 403 L HA -0.231 4.111 4.340 0.003 0.000 0.208 403 L C 2.565 179.358 176.870 -0.130 0.000 1.077 403 L CA 1.736 56.188 54.840 -0.647 0.000 0.747 403 L CB -0.627 40.841 42.059 -0.985 0.000 0.896 403 L HN 0.549 nan 8.230 nan 0.000 0.432 404 H N -1.351 117.574 119.070 -0.241 0.000 2.353 404 H HA -0.244 4.314 4.556 0.004 0.000 0.300 404 H C 2.282 177.541 175.328 -0.114 0.000 1.090 404 H CA 1.343 57.292 56.048 -0.165 0.000 1.327 404 H CB 0.177 29.837 29.762 -0.171 0.000 1.383 404 H HN 0.388 nan 8.280 nan 0.000 0.508 405 Q N 0.846 120.658 119.800 0.019 0.000 2.170 405 Q HA -0.089 4.253 4.340 0.003 0.000 0.203 405 Q C 1.844 177.852 176.000 0.014 0.000 0.976 405 Q CA 1.101 56.899 55.803 -0.009 0.000 0.858 405 Q CB 0.057 28.768 28.738 -0.044 0.000 0.907 405 Q HN 0.410 nan 8.270 nan 0.000 0.433 406 A N -0.449 122.415 122.820 0.075 0.000 2.302 406 A HA 0.369 4.691 4.320 0.003 0.000 0.219 406 A C 1.196 178.788 177.584 0.015 0.000 1.243 406 A CA 0.568 52.694 52.037 0.148 0.000 0.856 406 A CB -0.400 18.815 19.000 0.358 0.000 0.893 406 A HN 0.608 nan 8.150 nan 0.000 0.491 407 G N -1.601 107.161 108.800 -0.063 0.000 2.137 407 G HA2 -0.244 3.717 3.960 0.003 0.000 0.237 407 G HA3 -0.244 3.717 3.960 0.003 0.000 0.237 407 G C -0.177 174.475 174.900 -0.414 0.000 1.002 407 G CA 0.168 45.117 45.100 -0.251 0.000 0.702 407 G HN 0.332 nan 8.290 nan 0.000 0.515 408 F N 0.725 120.563 119.950 -0.186 0.000 2.425 408 F HA 0.592 5.122 4.527 0.006 0.000 0.331 408 F C 0.839 176.489 175.800 -0.250 0.000 1.085 408 F CA -0.911 56.946 58.000 -0.239 0.000 1.028 408 F CB 1.125 39.902 39.000 -0.372 0.000 1.177 408 F HN 0.029 nan 8.300 nan 0.000 0.487 409 E N 0.793 120.900 120.200 -0.155 0.000 2.277 409 E HA 0.505 4.856 4.350 0.003 0.000 0.274 409 E C -0.522 175.594 176.600 -0.805 0.000 1.022 409 E CA -0.420 55.756 56.400 -0.374 0.000 0.853 409 E CB 1.698 31.244 29.700 -0.258 0.000 1.086 409 E HN 0.715 nan 8.360 nan 0.000 0.397 410 T N 0.219 114.314 114.554 -0.766 0.000 2.841 410 T HA 0.641 4.993 4.350 0.003 0.000 0.296 410 T C -0.761 173.604 174.700 -0.559 0.000 1.166 410 T CA -1.116 60.501 62.100 -0.804 0.000 1.007 410 T CB 2.074 70.716 68.868 -0.378 0.000 1.253 410 T HN 0.482 nan 8.240 nan 0.000 0.511 411 R N 0.846 121.133 120.500 -0.355 0.000 2.535 411 R HA 0.604 4.945 4.340 0.003 0.000 0.274 411 R C -1.585 174.712 176.300 -0.004 0.000 1.090 411 R CA -0.836 55.226 56.100 -0.063 0.000 0.930 411 R CB 1.476 31.836 30.300 0.100 0.000 1.223 411 R HN 0.781 nan 8.270 nan 0.000 0.441 412 I N 5.872 126.456 120.570 0.024 0.000 2.342 412 I HA 0.262 4.434 4.170 0.003 0.000 0.291 412 I C -0.234 175.932 176.117 0.083 0.000 1.010 412 I CA -0.672 60.656 61.300 0.047 0.000 1.308 412 I CB 1.268 39.278 38.000 0.016 0.000 1.400 412 I HN 0.389 nan 8.210 nan 0.000 0.488 413 L N 7.314 128.602 121.223 0.109 0.000 2.296 413 L HA 0.529 4.871 4.340 0.003 0.000 0.286 413 L C -0.127 176.791 176.870 0.080 0.000 1.023 413 L CA -0.675 54.229 54.840 0.106 0.000 0.812 413 L CB 1.027 43.164 42.059 0.131 0.000 1.223 413 L HN 0.541 nan 8.230 nan 0.000 0.421 414 R N 2.694 123.230 120.500 0.059 0.000 2.288 414 R HA 0.640 4.982 4.340 0.003 0.000 0.326 414 R C 0.314 176.660 176.300 0.076 0.000 0.959 414 R CA -0.306 55.818 56.100 0.040 0.000 0.834 414 R CB 1.661 31.967 30.300 0.010 0.000 1.157 414 R HN 0.893 nan 8.270 nan 0.000 0.470 415 G N 1.527 110.421 108.800 0.157 0.000 2.741 415 G HA2 -0.270 3.691 3.960 0.003 0.000 0.222 415 G HA3 -0.270 3.691 3.960 0.003 0.000 0.222 415 G C 0.206 175.198 174.900 0.154 0.000 1.364 415 G CA -0.679 44.553 45.100 0.219 0.000 0.866 415 G HN 0.528 nan 8.290 nan 0.000 0.555 416 L N 0.264 121.520 121.223 0.055 0.000 2.616 416 L HA 0.162 4.503 4.340 0.003 0.000 0.229 416 L C 2.067 178.889 176.870 -0.080 0.000 1.110 416 L CA 0.399 55.205 54.840 -0.057 0.000 0.884 416 L CB -0.186 41.785 42.059 -0.147 0.000 1.115 416 L HN 0.542 nan 8.230 nan 0.000 0.481 417 D N 1.289 121.666 120.400 -0.040 0.000 2.149 417 D HA -0.292 4.350 4.640 0.003 0.000 0.194 417 D C 1.841 178.106 176.300 -0.057 0.000 1.001 417 D CA 1.768 55.741 54.000 -0.046 0.000 0.849 417 D CB 0.035 40.825 40.800 -0.017 0.000 0.939 417 D HN 0.511 nan 8.370 nan 0.000 0.449 418 E N 0.207 120.382 120.200 -0.042 0.000 2.338 418 E HA -0.093 4.259 4.350 0.003 0.000 0.197 418 E C 0.523 177.071 176.600 -0.086 0.000 1.007 418 E CA 0.070 56.445 56.400 -0.042 0.000 0.849 418 E CB -0.020 29.676 29.700 -0.006 0.000 0.774 418 E HN 0.209 nan 8.360 nan 0.000 0.506 419 L N 0.693 121.827 121.223 -0.148 0.000 2.417 419 L HA 0.439 4.780 4.340 0.003 0.000 0.268 419 L C 0.706 177.388 176.870 -0.313 0.000 1.158 419 L CA 0.212 54.904 54.840 -0.246 0.000 0.819 419 L CB 1.411 43.273 42.059 -0.328 0.000 1.112 419 L HN 0.175 nan 8.230 nan 0.000 0.458 420 G N 0.718 109.308 108.800 -0.350 0.000 2.749 420 G HA2 0.502 4.463 3.960 0.003 0.000 0.300 420 G HA3 0.502 4.463 3.960 0.003 0.000 0.300 420 G C -2.297 172.421 174.900 -0.305 0.000 1.352 420 G CA -0.467 44.447 45.100 -0.310 0.000 0.789 420 G HN 0.408 nan 8.290 nan 0.000 0.509 421 W N 1.005 122.300 121.300 -0.009 0.000 2.915 421 W HA 0.357 5.019 4.660 0.003 0.000 0.337 421 W C -0.555 175.964 176.519 -0.001 0.000 1.102 421 W CA -0.528 56.813 57.345 -0.006 0.000 1.224 421 W CB 2.088 31.551 29.460 0.005 0.000 1.416 421 W HN 0.835 nan 8.180 nan 0.000 0.503 422 D N 0.254 120.791 120.400 0.228 0.000 2.398 422 D HA 0.327 4.969 4.640 0.003 0.000 0.264 422 D C 1.279 177.644 176.300 0.108 0.000 1.263 422 D CA -0.206 53.870 54.000 0.128 0.000 1.037 422 D CB 0.035 40.885 40.800 0.083 0.000 1.101 422 D HN 0.241 nan 8.370 nan 0.000 0.551 423 A N -0.542 122.314 122.820 0.061 0.000 1.933 423 A HA 0.057 4.378 4.320 0.003 0.000 0.218 423 A C 2.161 179.751 177.584 0.009 0.000 1.175 423 A CA 2.291 54.347 52.037 0.031 0.000 0.628 423 A CB -1.338 17.674 19.000 0.020 0.000 0.814 423 A HN 0.667 nan 8.150 nan 0.000 0.444 424 A N -2.097 120.733 122.820 0.017 0.000 2.119 424 A HA 0.394 4.715 4.320 0.003 0.000 0.216 424 A C 1.755 179.331 177.584 -0.014 0.000 1.152 424 A CA 1.408 53.446 52.037 0.002 0.000 0.708 424 A CB -0.657 18.352 19.000 0.014 0.000 0.805 424 A HN 1.903 nan 8.150 nan 0.000 0.460 425 G N -1.271 107.533 108.800 0.008 0.000 2.141 425 G HA2 -0.159 3.802 3.960 0.003 0.000 0.164 425 G HA3 -0.159 3.802 3.960 0.003 0.000 0.164 425 G C -0.150 174.841 174.900 0.153 0.000 1.009 425 G CA -0.005 45.075 45.100 -0.032 0.000 0.677 425 G HN 0.540 nan 8.290 nan 0.000 0.508 426 Q N -0.482 119.424 119.800 0.177 0.000 2.293 426 Q HA 0.548 4.890 4.340 0.003 0.000 0.251 426 Q C 0.009 176.163 176.000 0.256 0.000 0.930 426 Q CA -0.664 55.248 55.803 0.182 0.000 0.893 426 Q CB 1.895 30.691 28.738 0.098 0.000 1.215 426 Q HN 0.282 nan 8.270 nan 0.000 0.425 427 L N 4.690 126.019 121.223 0.175 0.000 2.319 427 L HA 0.366 4.708 4.340 0.003 0.000 0.280 427 L C -0.559 176.263 176.870 -0.080 0.000 1.099 427 L CA 0.337 55.174 54.840 -0.004 0.000 0.828 427 L CB 0.254 42.286 42.059 -0.045 0.000 1.150 427 L HN 0.498 nan 8.230 nan 0.000 0.442 428 I N 0.835 121.320 120.570 -0.142 0.000 2.934 428 I HA 0.648 4.820 4.170 0.003 0.000 0.306 428 I C -0.938 175.079 176.117 -0.167 0.000 1.110 428 I CA -0.951 60.274 61.300 -0.124 0.000 1.019 428 I CB 2.120 40.088 38.000 -0.054 0.000 1.227 428 I HN 0.551 nan 8.210 nan 0.000 0.434 429 D N 2.667 122.992 120.400 -0.124 0.000 2.539 429 D HA 0.271 4.913 4.640 0.003 0.000 0.276 429 D C 1.328 177.613 176.300 -0.025 0.000 1.206 429 D CA -0.229 53.727 54.000 -0.073 0.000 1.081 429 D CB 0.534 41.374 40.800 0.067 0.000 1.142 429 D HN 0.744 nan 8.370 nan 0.000 0.595 430 G N -1.176 107.629 108.800 0.009 0.000 2.499 430 G HA2 -0.239 3.723 3.960 0.003 0.000 0.221 430 G HA3 -0.239 3.723 3.960 0.003 0.000 0.221 430 G C 0.739 175.645 174.900 0.010 0.000 1.109 430 G CA 0.565 45.669 45.100 0.008 0.000 0.749 430 G HN 0.618 nan 8.290 nan 0.000 0.568 431 E N -0.454 119.755 120.200 0.015 0.000 2.585 431 E HA 0.368 4.720 4.350 0.003 0.000 0.206 431 E C 1.482 178.075 176.600 -0.011 0.000 1.007 431 E CA 0.043 56.445 56.400 0.003 0.000 1.028 431 E CB 0.292 29.996 29.700 0.006 0.000 1.087 431 E HN 0.281 nan 8.360 nan 0.000 0.455 432 G N 2.478 111.269 108.800 -0.014 0.000 2.189 432 G HA2 -0.399 3.563 3.960 0.003 0.000 0.267 432 G HA3 -0.399 3.563 3.960 0.003 0.000 0.267 432 G C 0.521 175.401 174.900 -0.034 0.000 0.975 432 G CA 0.486 45.575 45.100 -0.019 0.000 0.644 432 G HN 0.354 nan 8.290 nan 0.000 0.537 433 R N 0.276 120.748 120.500 -0.047 0.000 2.590 433 R HA 0.436 4.777 4.340 0.003 0.000 0.274 433 R C 0.683 176.940 176.300 -0.070 0.000 1.061 433 R CA -0.535 55.516 56.100 -0.082 0.000 1.081 433 R CB 0.062 30.265 30.300 -0.161 0.000 0.984 433 R HN 0.276 nan 8.270 nan 0.000 0.448 434 L N 4.201 125.385 121.223 -0.065 0.000 2.453 434 L HA 0.110 4.452 4.340 0.003 0.000 0.272 434 L C -0.278 176.557 176.870 -0.058 0.000 1.182 434 L CA -0.287 54.524 54.840 -0.048 0.000 0.858 434 L CB 1.213 43.264 42.059 -0.013 0.000 1.120 434 L HN 0.372 nan 8.230 nan 0.000 0.474 435 V N 3.689 123.525 119.914 -0.129 0.000 2.350 435 V HA 0.191 4.312 4.120 0.003 0.000 0.276 435 V C 0.576 176.657 176.094 -0.022 0.000 1.028 435 V CA -0.212 61.961 62.300 -0.211 0.000 0.860 435 V CB 1.047 32.632 31.823 -0.397 0.000 0.990 435 V HN 1.009 nan 8.190 nan 0.000 0.453 436 N N 1.818 120.575 118.700 0.095 0.000 2.082 436 N HA 0.172 4.914 4.740 0.003 0.000 0.228 436 N C -0.204 175.410 175.510 0.175 0.000 1.341 436 N CA -0.407 52.712 53.050 0.116 0.000 0.873 436 N CB 0.982 39.535 38.487 0.110 0.000 1.137 436 N HN 0.520 nan 8.380 nan 0.000 0.505 437 C N 1.563 121.008 119.300 0.241 0.000 2.607 437 C HA 0.632 5.093 4.460 0.003 0.000 0.350 437 C C -1.227 173.950 174.990 0.313 0.000 1.101 437 C CA -0.187 59.008 59.018 0.296 0.000 1.282 437 C CB 0.804 28.742 27.740 0.330 0.000 1.825 437 C HN 0.136 nan 8.230 nan 0.000 0.460 438 V N 5.319 125.417 119.914 0.307 0.000 2.656 438 V HA 0.595 4.716 4.120 0.003 0.000 0.307 438 V C -0.950 175.361 176.094 0.361 0.000 1.051 438 V CA -0.439 62.021 62.300 0.267 0.000 0.893 438 V CB 2.036 33.934 31.823 0.125 0.000 0.999 438 V HN 0.878 nan 8.190 nan 0.000 0.426 439 W N 6.558 127.949 121.300 0.151 0.000 2.361 439 W HA 0.658 5.314 4.660 -0.007 0.000 0.314 439 W C -0.133 176.430 176.519 0.073 0.000 1.041 439 W CA -0.894 56.555 57.345 0.173 0.000 1.241 439 W CB 1.179 30.702 29.460 0.105 0.000 1.279 439 W HN 0.609 nan 8.180 nan 0.000 0.436 440 K N 2.492 122.398 120.400 -0.824 0.000 2.156 440 K HA 0.601 4.922 4.320 0.003 0.000 0.250 440 K C 0.488 176.382 176.600 -1.178 0.000 0.955 440 K CA -0.322 55.507 56.287 -0.763 0.000 0.855 440 K CB 2.021 34.278 32.500 -0.405 0.000 1.101 440 K HN 0.425 nan 8.250 nan 0.000 0.434 441 T N -2.719 111.341 114.554 -0.823 0.000 3.014 441 T HA 0.105 4.457 4.350 0.003 0.000 0.250 441 T C 0.006 174.450 174.700 -0.427 0.000 1.060 441 T CA -0.532 61.195 62.100 -0.622 0.000 1.040 441 T CB -0.291 68.295 68.868 -0.470 0.000 0.971 441 T HN 0.565 nan 8.240 nan 0.000 0.497 442 W N 2.392 123.466 121.300 -0.378 0.000 2.170 442 W HA 0.577 5.238 4.660 0.001 0.000 0.342 442 W C 0.702 177.012 176.519 -0.348 0.000 1.294 442 W CA -0.703 56.454 57.345 -0.313 0.000 1.246 442 W CB 0.324 29.587 29.460 -0.329 0.000 1.156 442 W HN 0.236 nan 8.180 nan 0.000 0.572 443 A N 2.645 125.469 122.820 0.007 0.000 2.327 443 A HA 0.257 4.579 4.320 0.003 0.000 0.283 443 A C 0.109 177.606 177.584 -0.146 0.000 1.127 443 A CA -0.647 51.346 52.037 -0.073 0.000 0.810 443 A CB 0.219 19.214 19.000 -0.008 0.000 1.066 443 A HN 0.933 nan 8.150 nan 0.000 0.492 444 W N 0.180 121.304 121.300 -0.293 0.000 2.350 444 W HA -0.121 4.536 4.660 -0.005 0.000 0.289 444 W C 1.868 177.859 176.519 -0.880 0.000 1.215 444 W CA 1.163 58.166 57.345 -0.569 0.000 1.236 444 W CB 0.223 29.262 29.460 -0.701 0.000 1.130 444 W HN 0.774 nan 8.180 nan 0.000 0.541 445 E N -0.362 119.614 120.200 -0.374 0.000 2.160 445 E HA -0.167 4.184 4.350 0.003 0.000 0.195 445 E C 1.929 178.511 176.600 -0.031 0.000 0.991 445 E CA 1.759 58.021 56.400 -0.230 0.000 0.810 445 E CB -0.543 29.159 29.700 0.003 0.000 0.742 445 E HN 0.264 nan 8.360 nan 0.000 0.466 446 T N 0.849 115.391 114.554 -0.021 0.000 2.746 446 T HA -0.112 4.239 4.350 0.003 0.000 0.267 446 T C 1.936 176.634 174.700 -0.004 0.000 1.039 446 T CA 1.455 63.572 62.100 0.028 0.000 1.142 446 T CB -0.159 68.748 68.868 0.065 0.000 0.866 446 T HN 0.270 nan 8.240 nan 0.000 0.444 447 A N 0.911 123.701 122.820 -0.051 0.000 1.898 447 A HA 0.042 4.364 4.320 0.003 0.000 0.216 447 A C 2.065 179.787 177.584 0.231 0.000 1.181 447 A CA 1.132 53.188 52.037 0.032 0.000 0.620 447 A CB -1.060 17.980 19.000 0.066 0.000 0.819 447 A HN 0.597 nan 8.150 nan 0.000 0.442 448 F N 0.044 120.066 119.950 0.121 0.000 2.216 448 F HA -0.208 4.320 4.527 0.002 0.000 0.300 448 F C 2.057 177.903 175.800 0.076 0.000 1.085 448 F CA 0.549 58.610 58.000 0.101 0.000 1.326 448 F CB -0.226 38.848 39.000 0.123 0.000 1.027 448 F HN 0.216 nan 8.300 nan 0.000 0.497 449 D N 0.336 120.886 120.400 0.250 0.000 2.144 449 D HA -0.172 4.470 4.640 0.003 0.000 0.199 449 D C 2.132 178.502 176.300 0.117 0.000 0.984 449 D CA 1.099 55.196 54.000 0.162 0.000 0.834 449 D CB -0.375 40.497 40.800 0.120 0.000 0.955 449 D HN 0.415 nan 8.370 nan 0.000 0.465 450 Q N -0.139 119.718 119.800 0.095 0.000 2.167 450 Q HA -0.058 4.283 4.340 0.003 0.000 0.202 450 Q C 2.362 178.407 176.000 0.075 0.000 0.970 450 Q CA 0.626 56.467 55.803 0.063 0.000 0.855 450 Q CB 0.152 28.905 28.738 0.025 0.000 0.911 450 Q HN 0.381 nan 8.270 nan 0.000 0.438 451 I N 0.357 120.978 120.570 0.086 0.000 2.233 451 I HA -0.227 3.945 4.170 0.003 0.000 0.243 451 I C 2.269 178.456 176.117 0.117 0.000 1.093 451 I CA 0.943 62.268 61.300 0.042 0.000 1.380 451 I CB -0.199 37.783 38.000 -0.029 0.000 1.067 451 I HN 0.115 nan 8.210 nan 0.000 0.413 452 R N 0.771 121.344 120.500 0.122 0.000 2.105 452 R HA -0.209 4.133 4.340 0.003 0.000 0.239 452 R C 2.123 178.490 176.300 0.112 0.000 1.135 452 R CA 1.456 57.630 56.100 0.123 0.000 0.967 452 R CB -0.395 29.977 30.300 0.120 0.000 0.861 452 R HN 0.444 nan 8.270 nan 0.000 0.442 453 E N 0.176 120.437 120.200 0.101 0.000 2.070 453 E HA -0.200 4.152 4.350 0.003 0.000 0.197 453 E C 2.022 178.674 176.600 0.086 0.000 1.004 453 E CA 1.754 58.203 56.400 0.081 0.000 0.805 453 E CB 0.020 29.761 29.700 0.069 0.000 0.744 453 E HN 0.113 nan 8.360 nan 0.000 0.451 454 V N -0.046 119.943 119.914 0.124 0.000 2.216 454 V HA -0.292 3.830 4.120 0.003 0.000 0.242 454 V C 1.889 178.047 176.094 0.107 0.000 1.042 454 V CA 1.669 64.055 62.300 0.144 0.000 0.991 454 V CB -0.807 31.177 31.823 0.269 0.000 0.633 454 V HN 0.429 nan 8.190 nan 0.000 0.449 455 S N -1.207 114.599 115.700 0.176 0.000 2.508 455 S HA -0.403 4.068 4.470 0.003 0.000 0.259 455 S C 1.343 175.877 174.600 -0.111 0.000 1.344 455 S CA 1.971 60.206 58.200 0.059 0.000 1.576 455 S CB -1.081 62.160 63.200 0.067 0.000 2.095 455 S HN 0.741 nan 8.310 nan 0.000 0.730 456 D N 1.183 121.525 120.400 -0.098 0.000 2.084 456 D HA -0.034 4.608 4.640 0.003 0.000 0.199 456 D C 1.293 177.457 176.300 -0.226 0.000 0.981 456 D CA 1.292 55.217 54.000 -0.125 0.000 0.841 456 D CB -0.335 40.422 40.800 -0.070 0.000 0.997 456 D HN 0.831 nan 8.370 nan 0.000 0.454 457 R N 1.402 121.752 120.500 -0.250 0.000 2.861 457 R HA 0.057 4.398 4.340 0.003 0.000 0.268 457 R C -0.042 175.904 176.300 -0.591 0.000 1.027 457 R CA 0.282 56.194 56.100 -0.312 0.000 1.163 457 R CB 0.220 30.406 30.300 -0.189 0.000 1.060 457 R HN -0.065 nan 8.270 nan 0.000 0.483 458 E N 2.417 122.372 120.200 -0.409 0.000 2.464 458 E HA 0.089 4.441 4.350 0.003 0.000 0.260 458 E C -0.426 176.014 176.600 -0.267 0.000 1.318 458 E CA -0.331 55.830 56.400 -0.399 0.000 1.571 458 E CB -0.326 29.256 29.700 -0.198 0.000 1.525 458 E HN 0.377 nan 8.360 nan 0.000 0.449 459 F N -0.337 119.589 119.950 -0.039 0.000 2.628 459 F HA 0.174 4.703 4.527 0.004 0.000 0.362 459 F C 1.335 177.110 175.800 -0.042 0.000 1.148 459 F CA -0.964 57.015 58.000 -0.036 0.000 1.352 459 F CB 0.235 39.217 39.000 -0.031 0.000 1.081 459 F HN 0.066 nan 8.300 nan 0.000 0.605 460 A N 1.490 124.438 122.820 0.214 0.000 2.238 460 A HA 0.692 5.014 4.320 0.003 0.000 0.210 460 A C 0.843 178.473 177.584 0.076 0.000 1.179 460 A CA 0.600 52.705 52.037 0.113 0.000 0.827 460 A CB -0.675 18.358 19.000 0.056 0.000 0.856 460 A HN 1.282 nan 8.150 nan 0.000 0.488 461 A N -1.703 121.153 122.820 0.060 0.000 2.588 461 A HA 0.567 4.888 4.320 0.003 0.000 0.290 461 A C -0.647 176.821 177.584 -0.194 0.000 1.136 461 A CA -0.464 51.547 52.037 -0.043 0.000 0.681 461 A CB 0.161 19.147 19.000 -0.022 0.000 1.282 461 A HN 0.399 nan 8.150 nan 0.000 0.421 462 V N 2.496 122.284 119.914 -0.210 0.000 2.557 462 V HA 0.150 4.272 4.120 0.003 0.000 0.301 462 V C -1.518 174.423 176.094 -0.254 0.000 1.026 462 V CA 0.063 62.178 62.300 -0.308 0.000 1.137 462 V CB 0.489 32.218 31.823 -0.156 0.000 0.917 462 V HN 0.693 nan 8.190 nan 0.000 0.484 463 P HA 0.147 nan 4.420 nan 0.000 0.232 463 P C -0.020 177.250 177.300 -0.050 0.000 1.738 463 P CA 0.001 63.009 63.100 -0.153 0.000 0.948 463 P CB -0.379 31.247 31.700 -0.123 0.000 1.943 464 I N -2.161 118.392 120.570 -0.028 0.000 2.713 464 I HA 0.472 4.644 4.170 0.003 0.000 0.300 464 I C 0.205 176.337 176.117 0.024 0.000 1.009 464 I CA -1.255 60.061 61.300 0.028 0.000 1.305 464 I CB 1.024 39.056 38.000 0.054 0.000 1.430 464 I HN -0.179 nan 8.210 nan 0.000 0.546 465 R N 1.596 122.137 120.500 0.067 0.000 2.486 465 R HA 0.464 4.805 4.340 0.003 0.000 0.286 465 R C 0.143 176.330 176.300 -0.189 0.000 0.999 465 R CA -0.016 56.044 56.100 -0.067 0.000 0.993 465 R CB 1.495 31.790 30.300 -0.008 0.000 1.084 465 R HN 0.867 nan 8.270 nan 0.000 0.487 466 T N -1.520 112.737 114.554 -0.494 0.000 3.339 466 T HA 0.475 4.827 4.350 0.003 0.000 0.292 466 T C 0.193 174.229 174.700 -1.107 0.000 1.012 466 T CA -0.299 61.415 62.100 -0.644 0.000 0.937 466 T CB 0.744 69.449 68.868 -0.271 0.000 1.164 466 T HN 0.711 nan 8.240 nan 0.000 0.509 467 G N 0.235 108.094 108.800 -1.569 0.000 2.376 467 G HA2 0.436 4.398 3.960 0.003 0.000 0.302 467 G HA3 0.436 4.398 3.960 0.003 0.000 0.302 467 G C -2.246 172.256 174.900 -0.664 0.000 1.586 467 G CA -0.823 43.627 45.100 -1.083 0.000 0.907 467 G HN 0.532 nan 8.290 nan 0.000 0.655 468 H N 2.407 121.271 119.070 -0.344 0.000 3.123 468 H HA 0.395 4.953 4.556 0.003 0.000 0.346 468 H C -1.929 173.419 175.328 0.033 0.000 1.138 468 H CA -0.774 55.233 56.048 -0.069 0.000 1.273 468 H CB 3.001 32.846 29.762 0.139 0.000 1.926 468 H HN 0.386 nan 8.280 nan 0.000 0.524 469 P HA -0.190 nan 4.420 nan 0.000 0.215 469 P C 0.568 177.918 177.300 0.082 0.000 1.163 469 P CA 1.436 64.465 63.100 -0.119 0.000 0.894 469 P CB 0.434 31.997 31.700 -0.229 0.000 0.791 470 Q N -1.287 118.664 119.800 0.251 0.000 2.322 470 Q HA 0.152 4.494 4.340 0.003 0.000 0.203 470 Q C 0.260 176.461 176.000 0.336 0.000 0.923 470 Q CA -0.052 55.929 55.803 0.296 0.000 0.949 470 Q CB -0.649 28.257 28.738 0.280 0.000 1.039 470 Q HN 0.298 nan 8.270 nan 0.000 0.496 471 N N 0.979 119.962 118.700 0.472 0.000 2.754 471 N HA -0.212 4.529 4.740 0.003 0.000 0.248 471 N C -0.957 174.669 175.510 0.193 0.000 1.093 471 N CA 0.045 53.334 53.050 0.398 0.000 0.699 471 N CB -0.223 38.392 38.487 0.215 0.000 1.016 471 N HN 0.400 nan 8.380 nan 0.000 0.552 472 E N 1.251 121.464 120.200 0.022 0.000 1.996 472 E HA 0.224 4.575 4.350 0.003 0.000 0.280 472 E C -0.435 176.062 176.600 -0.170 0.000 1.092 472 E CA -0.461 55.790 56.400 -0.249 0.000 0.862 472 E CB 0.740 30.107 29.700 -0.555 0.000 1.066 472 E HN 0.118 nan 8.360 nan 0.000 0.396 473 V N 5.887 125.572 119.914 -0.383 0.000 2.432 473 V HA 0.260 4.382 4.120 0.003 0.000 0.271 473 V C 0.553 176.487 176.094 -0.267 0.000 1.046 473 V CA -0.328 61.655 62.300 -0.528 0.000 0.945 473 V CB 0.905 32.227 31.823 -0.836 0.000 0.992 473 V HN 0.653 nan 8.190 nan 0.000 0.471 474 R N 2.651 123.066 120.500 -0.142 0.000 2.549 474 R HA 0.364 4.706 4.340 0.003 0.000 0.267 474 R C 1.107 177.265 176.300 -0.237 0.000 1.045 474 R CA -0.902 55.100 56.100 -0.163 0.000 1.115 474 R CB 0.587 30.837 30.300 -0.083 0.000 1.121 474 R HN 0.570 nan 8.270 nan 0.000 0.543 475 L N 2.277 123.288 121.223 -0.352 0.000 2.021 475 L HA -0.214 4.128 4.340 0.003 0.000 0.215 475 L C 1.974 178.675 176.870 -0.282 0.000 1.074 475 L CA 1.883 56.431 54.840 -0.487 0.000 0.760 475 L CB -0.571 41.049 42.059 -0.732 0.000 0.889 475 L HN 0.805 nan 8.230 nan 0.000 0.433 476 I N -3.572 116.906 120.570 -0.153 0.000 2.361 476 I HA -0.185 3.987 4.170 0.003 0.000 0.251 476 I C 1.566 177.687 176.117 0.008 0.000 1.133 476 I CA 1.461 62.742 61.300 -0.031 0.000 1.413 476 I CB -0.994 37.019 38.000 0.022 0.000 1.073 476 I HN 0.162 nan 8.210 nan 0.000 0.424 477 D N 1.447 121.853 120.400 0.010 0.000 2.309 477 D HA -0.073 4.569 4.640 0.003 0.000 0.212 477 D C 2.250 178.581 176.300 0.051 0.000 0.968 477 D CA 1.123 55.188 54.000 0.108 0.000 0.882 477 D CB 0.164 41.112 40.800 0.246 0.000 0.918 477 D HN 0.427 nan 8.370 nan 0.000 0.503 478 V N 0.187 120.068 119.914 -0.056 0.000 2.599 478 V HA -0.018 4.104 4.120 0.003 0.000 0.237 478 V C 2.515 178.593 176.094 -0.026 0.000 1.081 478 V CA 0.266 62.521 62.300 -0.075 0.000 1.107 478 V CB -0.329 31.397 31.823 -0.162 0.000 0.808 478 V HN 0.071 nan 8.190 nan 0.000 0.486 479 L N -0.115 121.072 121.223 -0.061 0.000 2.131 479 L HA -0.046 4.295 4.340 0.003 0.000 0.210 479 L C 1.876 178.883 176.870 0.228 0.000 1.092 479 L CA 1.414 56.253 54.840 -0.002 0.000 0.759 479 L CB -0.340 41.579 42.059 -0.234 0.000 0.903 479 L HN 0.291 nan 8.230 nan 0.000 0.435 480 L N -0.385 120.954 121.223 0.194 0.000 2.741 480 L HA 0.169 4.511 4.340 0.003 0.000 0.237 480 L C 0.816 177.760 176.870 0.123 0.000 1.178 480 L CA -0.173 54.787 54.840 0.200 0.000 0.973 480 L CB 0.031 42.200 42.059 0.183 0.000 1.255 480 L HN 0.102 nan 8.230 nan 0.000 0.498 481 R N 1.103 121.670 120.500 0.112 0.000 2.296 481 R HA 0.115 4.457 4.340 0.003 0.000 0.323 481 R C -1.364 174.993 176.300 0.095 0.000 1.067 481 R CA -1.533 54.625 56.100 0.097 0.000 0.946 481 R CB 1.022 31.379 30.300 0.096 0.000 0.991 481 R HN -0.094 nan 8.270 nan 0.000 0.448 482 P HA -0.239 nan 4.420 nan 0.000 0.218 482 P C 0.465 177.813 177.300 0.079 0.000 1.152 482 P CA 1.316 64.461 63.100 0.074 0.000 0.857 482 P CB 0.233 31.967 31.700 0.057 0.000 0.787 483 E N -0.746 119.500 120.200 0.078 0.000 2.465 483 E HA 0.039 4.390 4.350 0.003 0.000 0.191 483 E C 0.001 176.654 176.600 0.088 0.000 1.053 483 E CA 0.106 56.553 56.400 0.079 0.000 0.869 483 E CB -0.636 29.106 29.700 0.071 0.000 0.977 483 E HN 0.048 nan 8.360 nan 0.000 0.483 484 V N 2.494 122.464 119.914 0.092 0.000 2.406 484 V HA 0.138 4.260 4.120 0.003 0.000 0.272 484 V C -0.021 176.139 176.094 0.110 0.000 1.043 484 V CA -0.798 61.561 62.300 0.097 0.000 0.915 484 V CB 1.005 32.875 31.823 0.079 0.000 0.988 484 V HN 0.203 nan 8.190 nan 0.000 0.466 485 L N 7.925 129.220 121.223 0.121 0.000 2.295 485 L HA 0.410 4.751 4.340 0.003 0.000 0.288 485 L C -0.137 176.776 176.870 0.071 0.000 1.079 485 L CA 0.579 55.467 54.840 0.079 0.000 0.830 485 L CB 0.841 42.964 42.059 0.105 0.000 1.200 485 L HN 0.451 nan 8.230 nan 0.000 0.438 486 V N 5.913 125.842 119.914 0.025 0.000 2.481 486 V HA 0.420 4.542 4.120 0.003 0.000 0.286 486 V C -0.243 175.818 176.094 -0.055 0.000 1.042 486 V CA -0.300 62.045 62.300 0.075 0.000 0.928 486 V CB 1.125 33.046 31.823 0.162 0.000 0.986 486 V HN 0.471 nan 8.190 nan 0.000 0.462 487 F N 1.972 122.052 119.950 0.217 0.000 2.482 487 F HA 0.516 5.040 4.527 -0.005 0.000 0.331 487 F C 0.549 176.392 175.800 0.072 0.000 1.115 487 F CA -0.843 57.307 58.000 0.250 0.000 0.955 487 F CB 1.447 40.724 39.000 0.463 0.000 1.136 487 F HN 0.387 nan 8.300 nan 0.000 0.452 488 E N 3.125 123.427 120.200 0.170 0.000 2.373 488 E HA 0.244 4.596 4.350 0.003 0.000 0.263 488 E C -2.381 174.349 176.600 0.217 0.000 1.073 488 E CA -1.956 54.557 56.400 0.188 0.000 0.894 488 E CB 0.281 30.019 29.700 0.062 0.000 1.008 488 E HN 0.188 nan 8.360 nan 0.000 0.420 489 P HA -0.071 nan 4.420 nan 0.000 0.268 489 P C 0.986 178.197 177.300 -0.149 0.000 1.208 489 P CA -0.155 62.897 63.100 -0.079 0.000 0.777 489 P CB 0.465 31.986 31.700 -0.298 0.000 0.875 490 L N 3.864 124.928 121.223 -0.265 0.000 2.081 490 L HA -0.143 4.199 4.340 0.003 0.000 0.212 490 L C 2.002 178.583 176.870 -0.480 0.000 1.080 490 L CA 1.661 55.969 54.840 -0.887 0.000 0.754 490 L CB -1.471 40.150 42.059 -0.730 0.000 0.893 490 L HN 0.585 nan 8.230 nan 0.000 0.433 491 W N -0.612 120.596 121.300 -0.153 0.000 2.364 491 W HA -0.229 4.416 4.660 -0.025 0.000 0.281 491 W C 1.856 178.314 176.519 -0.101 0.000 1.219 491 W CA 1.328 58.615 57.345 -0.096 0.000 1.220 491 W CB -1.980 27.545 29.460 0.109 0.000 1.127 491 W HN 0.460 nan 8.180 nan 0.000 0.556 492 T N 0.394 114.644 114.554 -0.506 0.000 3.025 492 T HA -0.179 4.173 4.350 0.003 0.000 0.270 492 T C 1.807 176.425 174.700 -0.137 0.000 1.126 492 T CA 1.689 63.534 62.100 -0.424 0.000 1.105 492 T CB -1.028 67.495 68.868 -0.575 0.000 0.884 492 T HN 0.225 nan 8.240 nan 0.000 0.522 493 V N -1.068 118.788 119.914 -0.096 0.000 2.913 493 V HA 0.052 4.174 4.120 0.003 0.000 0.260 493 V C 2.251 178.395 176.094 0.083 0.000 1.098 493 V CA 0.536 62.848 62.300 0.020 0.000 1.121 493 V CB -1.064 30.820 31.823 0.103 0.000 0.714 493 V HN 0.375 nan 8.190 nan 0.000 0.487 494 I N 1.117 121.702 120.570 0.026 0.000 2.235 494 I HA 0.042 4.213 4.170 0.003 0.000 0.241 494 I C 0.275 176.488 176.117 0.161 0.000 1.085 494 I CA 1.107 62.409 61.300 0.003 0.000 1.378 494 I CB -2.419 35.423 38.000 -0.264 0.000 1.076 494 I HN 0.331 nan 8.210 nan 0.000 0.415 495 P HA -0.065 nan 4.420 nan 0.000 0.223 495 P C 1.396 178.766 177.300 0.117 0.000 1.151 495 P CA 1.359 64.598 63.100 0.232 0.000 0.787 495 P CB -0.105 31.683 31.700 0.147 0.000 0.788 496 G N -0.677 108.129 108.800 0.010 0.000 2.985 496 G HA2 -0.083 3.879 3.960 0.003 0.000 0.209 496 G HA3 -0.083 3.879 3.960 0.003 0.000 0.209 496 G C 0.684 175.621 174.900 0.061 0.000 1.165 496 G CA -0.049 45.034 45.100 -0.028 0.000 0.776 496 G HN 0.254 nan 8.290 nan 0.000 0.541 497 N N 0.705 119.503 118.700 0.162 0.000 2.426 497 N HA 0.162 4.904 4.740 0.003 0.000 0.275 497 N C 0.960 176.532 175.510 0.103 0.000 1.019 497 N CA -0.375 52.770 53.050 0.157 0.000 0.941 497 N CB 1.177 39.860 38.487 0.326 0.000 1.123 497 N HN 0.001 nan 8.380 nan 0.000 0.486 498 K N 2.198 122.599 120.400 0.003 0.000 2.519 498 K HA -0.068 4.253 4.320 0.003 0.000 0.196 498 K C 1.348 177.870 176.600 -0.129 0.000 1.041 498 K CA 0.818 57.082 56.287 -0.039 0.000 0.954 498 K CB 0.055 32.509 32.500 -0.076 0.000 0.774 498 K HN 0.578 nan 8.250 nan 0.000 0.480 499 A N 1.309 123.985 122.820 -0.241 0.000 2.172 499 A HA -0.082 4.239 4.320 0.003 0.000 0.216 499 A C 1.901 179.293 177.584 -0.319 0.000 1.154 499 A CA 0.715 52.527 52.037 -0.375 0.000 0.701 499 A CB -0.413 18.006 19.000 -0.968 0.000 0.789 499 A HN 0.322 nan 8.150 nan 0.000 0.465 500 I N -0.728 119.796 120.570 -0.076 0.000 3.111 500 I HA -0.087 4.084 4.170 0.003 0.000 0.272 500 I C 1.799 177.925 176.117 0.016 0.000 1.268 500 I CA 0.412 61.809 61.300 0.162 0.000 1.467 500 I CB 0.008 38.199 38.000 0.318 0.000 1.087 500 I HN 0.326 nan 8.210 nan 0.000 0.467 501 L N 1.338 122.524 121.223 -0.061 0.000 2.027 501 L HA -0.108 4.233 4.340 0.003 0.000 0.206 501 L C -0.449 176.374 176.870 -0.079 0.000 1.074 501 L CA 1.415 56.206 54.840 -0.082 0.000 0.745 501 L CB -2.009 39.995 42.059 -0.093 0.000 0.898 501 L HN 0.201 nan 8.230 nan 0.000 0.433 502 P HA -0.131 nan 4.420 nan 0.000 0.218 502 P C 1.745 179.075 177.300 0.049 0.000 1.149 502 P CA 1.378 64.383 63.100 -0.158 0.000 0.817 502 P CB 0.072 31.441 31.700 -0.552 0.000 0.785 503 I N -1.562 119.041 120.570 0.054 0.000 2.353 503 I HA -0.183 3.988 4.170 0.003 0.000 0.248 503 I C 2.289 178.441 176.117 0.058 0.000 1.119 503 I CA 1.082 62.431 61.300 0.082 0.000 1.417 503 I CB -0.537 37.536 38.000 0.122 0.000 1.078 503 I HN -0.102 nan 8.210 nan 0.000 0.421 504 L N -0.111 121.146 121.223 0.056 0.000 2.046 504 L HA -0.262 4.080 4.340 0.003 0.000 0.208 504 L C 2.518 179.501 176.870 0.189 0.000 1.077 504 L CA 1.603 56.501 54.840 0.097 0.000 0.747 504 L CB -0.532 41.479 42.059 -0.079 0.000 0.896 504 L HN 0.546 nan 8.230 nan 0.000 0.432 505 W N -0.096 121.190 121.300 -0.024 0.000 2.363 505 W HA -0.242 4.416 4.660 -0.003 0.000 0.296 505 W C 2.652 179.145 176.519 -0.044 0.000 1.212 505 W CA 1.681 59.005 57.345 -0.036 0.000 1.260 505 W CB -0.076 29.331 29.460 -0.088 0.000 1.131 505 W HN 0.180 nan 8.180 nan 0.000 0.530 506 S N 0.675 116.378 115.700 0.004 0.000 2.368 506 S HA -0.172 4.300 4.470 0.003 0.000 0.225 506 S C 1.972 176.452 174.600 -0.201 0.000 1.030 506 S CA 1.471 59.618 58.200 -0.089 0.000 0.999 506 S CB -0.446 62.756 63.200 0.003 0.000 0.844 506 S HN 0.295 nan 8.310 nan 0.000 0.459 507 L N -0.834 120.252 121.223 -0.229 0.000 2.179 507 L HA 0.181 4.522 4.340 0.003 0.000 0.208 507 L C 0.094 176.517 176.870 -0.746 0.000 1.096 507 L CA 0.720 55.257 54.840 -0.504 0.000 0.779 507 L CB -0.055 41.619 42.059 -0.641 0.000 0.922 507 L HN 0.288 nan 8.230 nan 0.000 0.443 508 F N -0.779 119.086 119.950 -0.142 0.000 2.564 508 F HA 0.343 4.880 4.527 0.017 0.000 0.329 508 F C -2.291 173.298 175.800 -0.351 0.000 1.458 508 F CA -2.512 55.423 58.000 -0.109 0.000 1.117 508 F CB -0.153 38.852 39.000 0.009 0.000 1.383 508 F HN -0.249 nan 8.300 nan 0.000 0.571 509 P HA -0.066 nan 4.420 nan 0.000 0.259 509 P C -0.206 176.555 177.300 -0.898 0.000 1.163 509 P CA 1.121 63.601 63.100 -1.032 0.000 0.760 509 P CB -0.025 31.363 31.700 -0.520 0.000 0.762 510 H N -1.575 116.790 119.070 -1.175 0.000 3.047 510 H HA -0.245 4.313 4.556 0.003 0.000 0.263 510 H C 0.830 176.092 175.328 -0.111 0.000 1.168 510 H CA 0.621 56.478 56.048 -0.318 0.000 1.152 510 H CB -2.201 27.485 29.762 -0.126 0.000 1.278 510 H HN 0.628 nan 8.280 nan 0.000 0.339 511 H N 2.171 121.161 119.070 -0.132 0.000 2.948 511 H HA 0.021 4.581 4.556 0.007 0.000 0.351 511 H C 1.658 176.957 175.328 -0.048 0.000 1.079 511 H CA 1.141 57.157 56.048 -0.054 0.000 1.407 511 H CB 0.665 30.420 29.762 -0.011 0.000 1.373 511 H HN 0.650 nan 8.280 nan 0.000 0.605 512 R N 3.253 123.482 120.500 -0.451 0.000 2.193 512 R HA -0.152 4.190 4.340 0.003 0.000 0.229 512 R C 0.345 176.604 176.300 -0.068 0.000 1.110 512 R CA 1.550 57.473 56.100 -0.294 0.000 0.988 512 R CB -0.222 29.746 30.300 -0.553 0.000 0.871 512 R HN 0.471 nan 8.270 nan 0.000 0.458 513 Y N 0.814 121.328 120.300 0.357 0.000 2.449 513 Y HA 0.393 4.957 4.550 0.023 0.000 0.254 513 Y C 0.784 176.720 175.900 0.060 0.000 1.140 513 Y CA -0.685 57.516 58.100 0.167 0.000 1.272 513 Y CB 0.389 38.969 38.460 0.199 0.000 1.114 513 Y HN -0.105 nan 8.280 nan 0.000 0.525 514 L N 0.954 122.349 121.223 0.287 0.000 2.343 514 L HA 0.425 4.767 4.340 0.003 0.000 0.275 514 L C -0.467 176.532 176.870 0.215 0.000 1.056 514 L CA -0.646 54.344 54.840 0.250 0.000 0.804 514 L CB 1.579 43.878 42.059 0.399 0.000 1.203 514 L HN -0.067 nan 8.230 nan 0.000 0.440 515 L N 1.316 122.559 121.223 0.033 0.000 2.325 515 L HA 0.308 4.649 4.340 0.003 0.000 0.278 515 L C -0.097 176.407 176.870 -0.609 0.000 1.023 515 L CA -0.756 53.962 54.840 -0.204 0.000 0.811 515 L CB 1.687 43.664 42.059 -0.138 0.000 1.249 515 L HN 0.507 nan 8.230 nan 0.000 0.431 516 D N 1.976 121.629 120.400 -1.244 0.000 2.451 516 D HA 0.056 4.698 4.640 0.003 0.000 0.254 516 D C -0.814 174.940 176.300 -0.909 0.000 1.204 516 D CA 0.480 53.275 54.000 -2.009 0.000 0.896 516 D CB 0.650 40.695 40.800 -1.259 0.000 1.136 516 D HN 0.429 nan 8.370 nan 0.000 0.499 517 T N 3.905 118.012 114.554 -0.745 0.000 2.886 517 T HA 0.417 4.769 4.350 0.003 0.000 0.292 517 T C -0.680 173.811 174.700 -0.349 0.000 1.012 517 T CA -0.913 60.959 62.100 -0.380 0.000 0.982 517 T CB 2.105 70.818 68.868 -0.258 0.000 1.018 517 T HN 0.324 nan 8.240 nan 0.000 0.451 518 D N -0.136 120.081 120.400 -0.305 0.000 2.610 518 D HA 0.437 5.078 4.640 0.003 0.000 0.271 518 D C -0.391 175.732 176.300 -0.295 0.000 1.174 518 D CA -0.937 52.898 54.000 -0.275 0.000 0.949 518 D CB 1.614 42.336 40.800 -0.130 0.000 1.430 518 D HN 0.409 nan 8.370 nan 0.000 0.467 519 F N -0.083 119.898 119.950 0.050 0.000 2.765 519 F HA 0.141 4.670 4.527 0.003 0.000 0.302 519 F C 1.160 177.058 175.800 0.162 0.000 1.111 519 F CA 0.178 58.240 58.000 0.103 0.000 1.359 519 F CB 0.548 39.564 39.000 0.027 0.000 1.097 519 F HN 0.166 nan 8.300 nan 0.000 0.577 520 T N -3.360 111.258 114.554 0.108 0.000 2.883 520 T HA 0.519 4.870 4.350 0.003 0.000 0.296 520 T C -0.646 173.728 174.700 -0.543 0.000 1.117 520 T CA -0.864 61.088 62.100 -0.247 0.000 1.006 520 T CB 1.803 70.590 68.868 -0.134 0.000 1.191 520 T HN -0.341 nan 8.240 nan 0.000 0.508 521 V N 3.673 123.093 119.914 -0.824 0.000 2.352 521 V HA 0.219 4.341 4.120 0.003 0.000 0.253 521 V C 0.614 176.500 176.094 -0.346 0.000 1.083 521 V CA -0.657 61.203 62.300 -0.733 0.000 0.993 521 V CB -1.533 29.808 31.823 -0.803 0.000 1.111 521 V HN 0.957 nan 8.190 nan 0.000 0.490 522 N N 2.493 121.053 118.700 -0.232 0.000 2.379 522 N HA 0.122 4.864 4.740 0.003 0.000 0.260 522 N C 0.618 176.082 175.510 -0.076 0.000 1.254 522 N CA -0.545 52.435 53.050 -0.117 0.000 0.958 522 N CB 0.521 38.969 38.487 -0.064 0.000 1.208 522 N HN 0.336 nan 8.380 nan 0.000 0.532 523 D N -0.931 119.451 120.400 -0.030 0.000 2.133 523 D HA -0.172 4.470 4.640 0.003 0.000 0.195 523 D C 1.322 177.634 176.300 0.020 0.000 0.997 523 D CA 1.218 55.218 54.000 0.000 0.000 0.840 523 D CB 0.060 40.869 40.800 0.014 0.000 0.947 523 D HN 0.558 nan 8.370 nan 0.000 0.452 524 E N 0.040 120.254 120.200 0.024 0.000 2.106 524 E HA -0.075 4.277 4.350 0.003 0.000 0.192 524 E C 2.199 178.823 176.600 0.041 0.000 0.984 524 E CA 0.389 56.815 56.400 0.043 0.000 0.806 524 E CB -0.080 29.657 29.700 0.062 0.000 0.750 524 E HN 0.367 nan 8.360 nan 0.000 0.458 525 L N -0.112 121.118 121.223 0.012 0.000 2.141 525 L HA -0.130 4.211 4.340 0.003 0.000 0.209 525 L C 2.533 179.509 176.870 0.176 0.000 1.094 525 L CA 0.477 55.355 54.840 0.064 0.000 0.763 525 L CB -0.373 41.650 42.059 -0.060 0.000 0.908 525 L HN -0.001 nan 8.230 nan 0.000 0.437 526 V N 0.042 120.017 119.914 0.101 0.000 2.287 526 V HA -0.281 3.841 4.120 0.003 0.000 0.248 526 V C 2.607 178.781 176.094 0.135 0.000 1.053 526 V CA 1.629 64.016 62.300 0.145 0.000 1.027 526 V CB -0.416 31.448 31.823 0.069 0.000 0.646 526 V HN 0.404 nan 8.190 nan 0.000 0.447 527 K N 0.331 120.789 120.400 0.096 0.000 2.097 527 K HA -0.112 4.210 4.320 0.003 0.000 0.205 527 K C 2.150 178.804 176.600 0.090 0.000 1.050 527 K CA 1.900 58.239 56.287 0.087 0.000 0.938 527 K CB -0.845 31.692 32.500 0.062 0.000 0.718 527 K HN 0.731 nan 8.250 nan 0.000 0.442 528 T N -2.409 112.199 114.554 0.090 0.000 3.067 528 T HA 0.246 4.598 4.350 0.003 0.000 0.257 528 T C 0.949 175.687 174.700 0.064 0.000 1.105 528 T CA 0.418 62.550 62.100 0.053 0.000 1.104 528 T CB 0.083 68.995 68.868 0.073 0.000 0.925 528 T HN 0.340 nan 8.240 nan 0.000 0.498 529 G N 1.175 110.047 108.800 0.119 0.000 2.730 529 G HA2 0.235 4.197 3.960 0.003 0.000 0.686 529 G HA3 0.235 4.197 3.960 0.003 0.000 0.686 529 G C -0.791 174.149 174.900 0.066 0.000 1.343 529 G CA -0.492 44.599 45.100 -0.015 0.000 0.826 529 G HN 1.288 nan 8.290 nan 0.000 0.582 530 Y N -3.384 116.951 120.300 0.058 0.000 2.779 530 Y HA 0.825 5.376 4.550 0.001 0.000 0.340 530 Y C -0.105 175.824 175.900 0.049 0.000 1.252 530 Y CA -1.102 57.034 58.100 0.060 0.000 1.072 530 Y CB 0.533 39.046 38.460 0.087 0.000 1.343 530 Y HN 1.991 nan 8.280 nan 0.000 0.450 531 A N 1.142 124.103 122.820 0.236 0.000 2.304 531 A HA 0.744 5.066 4.320 0.003 0.000 0.323 531 A C -1.343 176.330 177.584 0.148 0.000 1.195 531 A CA -0.856 51.243 52.037 0.105 0.000 0.826 531 A CB 0.927 19.921 19.000 -0.009 0.000 1.184 531 A HN 0.691 nan 8.150 nan 0.000 0.496 532 V N 3.342 123.307 119.914 0.085 0.000 2.407 532 V HA 0.410 4.532 4.120 0.003 0.000 0.278 532 V C -0.055 175.948 176.094 -0.151 0.000 1.037 532 V CA -0.231 62.002 62.300 -0.110 0.000 0.900 532 V CB 0.936 32.755 31.823 -0.006 0.000 0.983 532 V HN 0.862 nan 8.190 nan 0.000 0.459 533 K N 6.269 126.528 120.400 -0.236 0.000 2.535 533 K HA 0.431 4.753 4.320 0.003 0.000 0.250 533 K C -2.972 173.524 176.600 -0.174 0.000 0.948 533 K CA -1.759 54.426 56.287 -0.170 0.000 0.796 533 K CB 2.870 35.279 32.500 -0.151 0.000 1.216 533 K HN 0.333 nan 8.250 nan 0.000 0.432 534 P HA 0.026 nan 4.420 nan 0.000 0.268 534 P C 0.939 178.155 177.300 -0.139 0.000 1.204 534 P CA -0.179 62.857 63.100 -0.107 0.000 0.768 534 P CB 0.476 32.139 31.700 -0.062 0.000 0.842 535 I N 0.944 121.456 120.570 -0.097 0.000 2.454 535 I HA -0.099 4.073 4.170 0.003 0.000 0.254 535 I C 1.296 177.362 176.117 -0.084 0.000 1.156 535 I CA 1.567 62.815 61.300 -0.086 0.000 1.433 535 I CB -0.561 37.405 38.000 -0.056 0.000 1.082 535 I HN 0.186 nan 8.210 nan 0.000 0.432 536 A N 1.123 123.874 122.820 -0.115 0.000 2.631 536 A HA 0.655 4.977 4.320 0.003 0.000 0.294 536 A C 0.884 178.197 177.584 -0.452 0.000 1.156 536 A CA 0.009 51.961 52.037 -0.142 0.000 0.963 536 A CB -0.648 18.354 19.000 0.004 0.000 1.202 536 A HN 0.452 nan 8.150 nan 0.000 0.523 537 G N 0.480 108.907 108.800 -0.621 0.000 2.543 537 G HA2 0.609 4.571 3.960 0.003 0.000 0.290 537 G HA3 0.609 4.571 3.960 0.003 0.000 0.290 537 G C 0.010 174.509 174.900 -0.668 0.000 1.310 537 G CA -0.459 43.900 45.100 -1.235 0.000 1.025 537 G HN 0.784 nan 8.290 nan 0.000 0.502 538 R N -3.407 116.794 120.500 -0.498 0.000 2.752 538 R HA 0.361 4.703 4.340 0.003 0.000 0.277 538 R C -0.318 175.971 176.300 -0.019 0.000 1.024 538 R CA -0.173 55.828 56.100 -0.165 0.000 0.866 538 R CB 0.038 30.281 30.300 -0.095 0.000 1.278 538 R HN 1.018 nan 8.270 nan 0.000 0.473 539 C N -0.538 118.759 119.300 -0.006 0.000 4.320 539 C HA -0.122 4.340 4.460 0.003 0.000 0.281 539 C C 1.429 176.429 174.990 0.017 0.000 1.432 539 C CA 1.542 60.572 59.018 0.021 0.000 1.884 539 C CB -2.125 25.653 27.740 0.062 0.000 1.378 539 C HN 1.676 nan 8.230 nan 0.000 0.771 540 G N -0.570 108.224 108.800 -0.009 0.000 2.132 540 G HA2 -0.148 3.813 3.960 0.003 0.000 0.234 540 G HA3 -0.148 3.813 3.960 0.003 0.000 0.234 540 G C -0.047 174.861 174.900 0.014 0.000 0.989 540 G CA 0.413 45.499 45.100 -0.023 0.000 0.676 540 G HN 1.057 nan 8.290 nan 0.000 0.522 541 S N 0.097 115.845 115.700 0.080 0.000 2.584 541 S HA 0.482 4.954 4.470 0.003 0.000 0.273 541 S C 0.873 175.555 174.600 0.136 0.000 1.311 541 S CA 0.214 58.506 58.200 0.153 0.000 1.034 541 S CB 0.794 64.213 63.200 0.365 0.000 0.939 541 S HN 0.718 nan 8.310 nan 0.000 0.513 542 N N 0.269 119.032 118.700 0.104 0.000 2.721 542 N HA -0.142 4.600 4.740 0.003 0.000 0.249 542 N C -0.942 174.581 175.510 0.023 0.000 1.072 542 N CA 0.424 53.520 53.050 0.076 0.000 0.710 542 N CB -1.196 37.374 38.487 0.139 0.000 0.993 542 N HN 0.404 nan 8.380 nan 0.000 0.547 543 I N 0.348 120.916 120.570 -0.004 0.000 2.353 543 I HA 0.267 4.439 4.170 0.003 0.000 0.293 543 I C 0.180 176.278 176.117 -0.032 0.000 0.992 543 I CA -0.105 61.170 61.300 -0.040 0.000 1.268 543 I CB 1.202 39.159 38.000 -0.072 0.000 1.387 543 I HN 0.027 nan 8.210 nan 0.000 0.478 544 D N 6.983 127.369 120.400 -0.024 0.000 2.502 544 D HA 0.473 5.115 4.640 0.003 0.000 0.249 544 D C -0.362 175.917 176.300 -0.034 0.000 1.092 544 D CA -0.242 53.751 54.000 -0.012 0.000 0.839 544 D CB 2.395 43.216 40.800 0.035 0.000 1.264 544 D HN 0.250 nan 8.370 nan 0.000 0.511 545 L N 1.914 123.093 121.223 -0.073 0.000 2.280 545 L HA 0.508 4.850 4.340 0.003 0.000 0.287 545 L C -0.510 176.264 176.870 -0.160 0.000 1.023 545 L CA -0.932 53.840 54.840 -0.114 0.000 0.819 545 L CB 1.513 43.505 42.059 -0.111 0.000 1.212 545 L HN -0.010 nan 8.230 nan 0.000 0.420 546 V N 1.893 121.624 119.914 -0.305 0.000 2.487 546 V HA 0.348 4.470 4.120 0.003 0.000 0.298 546 V C 0.342 176.239 176.094 -0.328 0.000 1.028 546 V CA -0.621 61.460 62.300 -0.365 0.000 0.860 546 V CB 1.951 33.408 31.823 -0.611 0.000 0.991 546 V HN 0.903 nan 8.190 nan 0.000 0.427 547 S N 3.200 118.812 115.700 -0.146 0.000 2.624 547 S HA 0.170 4.642 4.470 0.003 0.000 0.263 547 S C 1.299 175.897 174.600 -0.003 0.000 1.287 547 S CA 0.080 58.265 58.200 -0.025 0.000 0.990 547 S CB 0.476 63.711 63.200 0.059 0.000 0.950 547 S HN 0.932 nan 8.310 nan 0.000 0.561 548 H N 0.114 119.092 119.070 -0.153 0.000 2.489 548 H HA -0.065 4.493 4.556 0.003 0.000 0.293 548 H C 1.094 176.337 175.328 -0.141 0.000 1.066 548 H CA 1.671 57.629 56.048 -0.151 0.000 1.305 548 H CB -0.973 28.671 29.762 -0.198 0.000 1.386 548 H HN 0.775 nan 8.280 nan 0.000 0.551 549 H N 1.259 120.074 119.070 -0.424 0.000 2.556 549 H HA 0.038 4.596 4.556 0.003 0.000 0.268 549 H C 0.278 175.517 175.328 -0.148 0.000 0.996 549 H CA 0.816 56.659 56.048 -0.342 0.000 1.157 549 H CB 0.161 29.724 29.762 -0.332 0.000 1.355 549 H HN 0.544 nan 8.280 nan 0.000 0.597 550 E N -0.001 120.193 120.200 -0.011 0.000 3.181 550 E HA -0.167 4.184 4.350 0.003 0.000 0.293 550 E C -0.508 176.086 176.600 -0.011 0.000 0.936 550 E CA 0.365 56.763 56.400 -0.004 0.000 0.975 550 E CB -1.296 28.417 29.700 0.022 0.000 1.496 550 E HN 0.632 nan 8.360 nan 0.000 0.429 551 E N 0.390 120.583 120.200 -0.012 0.000 2.214 551 E HA 0.395 4.747 4.350 0.003 0.000 0.274 551 E C -0.088 176.488 176.600 -0.041 0.000 0.977 551 E CA -0.696 55.693 56.400 -0.018 0.000 0.827 551 E CB 2.122 31.817 29.700 -0.008 0.000 1.130 551 E HN -0.121 nan 8.360 nan 0.000 0.394 552 V N 4.518 124.411 119.914 -0.035 0.000 2.415 552 V HA -0.031 4.090 4.120 0.003 0.000 0.267 552 V C 1.242 177.310 176.094 -0.043 0.000 1.042 552 V CA 0.372 62.645 62.300 -0.045 0.000 1.000 552 V CB 0.098 31.906 31.823 -0.025 0.000 1.015 552 V HN 0.685 nan 8.190 nan 0.000 0.478 553 L N 2.717 123.905 121.223 -0.059 0.000 2.418 553 L HA 0.293 4.635 4.340 0.003 0.000 0.218 553 L C 0.480 177.312 176.870 -0.062 0.000 1.125 553 L CA 0.711 55.519 54.840 -0.053 0.000 0.835 553 L CB 0.080 42.102 42.059 -0.061 0.000 0.953 553 L HN 0.698 nan 8.230 nan 0.000 0.454 554 D N -0.794 119.568 120.400 -0.064 0.000 2.884 554 D HA 0.265 4.906 4.640 0.003 0.000 0.255 554 D C -1.417 174.852 176.300 -0.051 0.000 1.142 554 D CA -0.464 53.499 54.000 -0.062 0.000 0.726 554 D CB 1.442 42.188 40.800 -0.091 0.000 1.436 554 D HN -0.192 nan 8.370 nan 0.000 0.441 555 K N 0.679 121.056 120.400 -0.038 0.000 2.523 555 K HA 0.641 4.963 4.320 0.003 0.000 0.257 555 K C -0.895 175.693 176.600 -0.021 0.000 0.932 555 K CA -0.787 55.486 56.287 -0.024 0.000 0.812 555 K CB 2.284 34.778 32.500 -0.009 0.000 1.326 555 K HN 0.486 nan 8.250 nan 0.000 0.433 556 T N -1.775 112.770 114.554 -0.014 0.000 2.924 556 T HA 0.563 4.915 4.350 0.003 0.000 0.291 556 T C 0.292 174.997 174.700 0.008 0.000 1.045 556 T CA -0.753 61.343 62.100 -0.007 0.000 1.015 556 T CB 1.545 70.408 68.868 -0.008 0.000 1.103 556 T HN 0.521 nan 8.240 nan 0.000 0.496 557 S N 0.275 115.980 115.700 0.008 0.000 2.690 557 S HA 0.987 5.458 4.470 0.003 0.000 0.285 557 S C 0.529 175.140 174.600 0.019 0.000 1.135 557 S CA -0.244 57.962 58.200 0.010 0.000 1.020 557 S CB 0.811 64.009 63.200 -0.003 0.000 1.159 557 S HN 2.033 nan 8.310 nan 0.000 0.534 558 G N -0.206 108.590 108.800 -0.007 0.000 2.356 558 G HA2 0.218 4.179 3.960 0.003 0.000 0.300 558 G HA3 0.218 4.179 3.960 0.003 0.000 0.300 558 G C -0.501 174.302 174.900 -0.161 0.000 1.331 558 G CA -0.332 44.742 45.100 -0.045 0.000 0.905 558 G HN 0.811 nan 8.290 nan 0.000 0.587 559 K N -0.908 119.223 120.400 -0.449 0.000 2.505 559 K HA 0.298 4.620 4.320 0.003 0.000 0.192 559 K C 0.369 176.598 176.600 -0.617 0.000 1.025 559 K CA 0.657 56.595 56.287 -0.583 0.000 1.086 559 K CB -0.080 31.991 32.500 -0.714 0.000 0.840 559 K HN 0.289 nan 8.250 nan 0.000 0.514 560 F N 0.261 120.215 119.950 0.007 0.000 2.668 560 F HA 0.397 4.927 4.527 0.006 0.000 0.301 560 F C 1.877 177.682 175.800 0.008 0.000 1.106 560 F CA -0.642 57.364 58.000 0.010 0.000 1.289 560 F CB 0.479 39.482 39.000 0.006 0.000 1.006 560 F HN 0.013 nan 8.300 nan 0.000 0.535 561 A N 0.223 123.115 122.820 0.120 0.000 2.032 561 A HA -0.168 4.153 4.320 0.003 0.000 0.221 561 A C 2.018 179.649 177.584 0.078 0.000 1.165 561 A CA 1.642 53.730 52.037 0.085 0.000 0.645 561 A CB -0.280 18.747 19.000 0.045 0.000 0.807 561 A HN 0.246 nan 8.150 nan 0.000 0.453 562 E N 0.265 120.513 120.200 0.081 0.000 2.489 562 E HA 0.036 4.388 4.350 0.003 0.000 0.193 562 E C 0.467 177.115 176.600 0.081 0.000 1.057 562 E CA 0.081 56.524 56.400 0.071 0.000 0.866 562 E CB -0.090 29.645 29.700 0.059 0.000 0.916 562 E HN 0.771 nan 8.360 nan 0.000 0.500 563 Q N 0.913 120.774 119.800 0.102 0.000 2.396 563 Q HA 0.165 4.506 4.340 0.003 0.000 0.221 563 Q C 0.370 176.404 176.000 0.057 0.000 1.025 563 Q CA -0.226 55.630 55.803 0.089 0.000 0.946 563 Q CB 1.094 29.893 28.738 0.102 0.000 1.224 563 Q HN -0.087 nan 8.270 nan 0.000 0.539 564 K N 1.334 121.764 120.400 0.049 0.000 2.414 564 K HA 0.005 4.326 4.320 0.003 0.000 0.272 564 K C -0.565 176.040 176.600 0.007 0.000 0.993 564 K CA 0.066 56.378 56.287 0.041 0.000 0.964 564 K CB 0.461 32.985 32.500 0.040 0.000 0.925 564 K HN 0.472 nan 8.250 nan 0.000 0.487 565 N N 2.200 120.888 118.700 -0.020 0.000 2.432 565 N HA 0.404 5.145 4.740 0.003 0.000 0.292 565 N C -0.586 174.800 175.510 -0.207 0.000 1.193 565 N CA -0.572 52.374 53.050 -0.173 0.000 0.878 565 N CB 1.146 39.410 38.487 -0.371 0.000 1.252 565 N HN 0.442 nan 8.380 nan 0.000 0.520 566 I N -1.947 118.410 120.570 -0.354 0.000 2.910 566 I HA 0.534 4.706 4.170 0.003 0.000 0.310 566 I C -1.249 174.518 176.117 -0.583 0.000 1.043 566 I CA -0.960 60.127 61.300 -0.356 0.000 1.053 566 I CB 0.772 38.569 38.000 -0.338 0.000 1.242 566 I HN 0.296 nan 8.210 nan 0.000 0.452 567 Y N 1.722 121.906 120.300 -0.193 0.000 2.326 567 Y HA 0.613 5.165 4.550 0.004 0.000 0.331 567 Y C -0.151 175.651 175.900 -0.163 0.000 0.962 567 Y CA -0.419 57.576 58.100 -0.174 0.000 1.167 567 Y CB 1.614 39.868 38.460 -0.343 0.000 1.148 567 Y HN 0.644 nan 8.280 nan 0.000 0.463 568 Q N 3.189 123.014 119.800 0.042 0.000 2.312 568 Q HA 0.271 4.612 4.340 0.003 0.000 0.263 568 Q C -0.591 175.464 176.000 0.093 0.000 0.995 568 Q CA -1.028 54.773 55.803 -0.002 0.000 0.853 568 Q CB 1.576 30.303 28.738 -0.019 0.000 1.300 568 Q HN 0.749 nan 8.270 nan 0.000 0.448 569 Q N 3.344 123.151 119.800 0.012 0.000 2.398 569 Q HA -0.083 4.259 4.340 0.003 0.000 0.329 569 Q C -0.796 175.314 176.000 0.184 0.000 1.079 569 Q CA -0.032 55.822 55.803 0.084 0.000 1.041 569 Q CB 0.396 29.130 28.738 -0.007 0.000 1.084 569 Q HN 0.653 nan 8.270 nan 0.000 0.386 570 L N 6.504 127.835 121.223 0.181 0.000 2.540 570 L HA 0.054 4.395 4.340 0.003 0.000 0.276 570 L C -1.109 175.932 176.870 0.286 0.000 1.212 570 L CA 1.042 55.979 54.840 0.163 0.000 0.893 570 L CB 0.316 42.405 42.059 0.051 0.000 1.138 570 L HN 0.725 nan 8.230 nan 0.000 0.491 571 W N 7.137 128.499 121.300 0.102 0.000 2.320 571 W HA 0.246 4.912 4.660 0.010 0.000 0.287 571 W C -1.349 175.282 176.519 0.187 0.000 1.041 571 W CA -1.068 56.352 57.345 0.126 0.000 1.148 571 W CB 1.082 30.625 29.460 0.138 0.000 1.046 571 W HN 0.458 nan 8.180 nan 0.000 0.295 572 C N 4.436 123.824 119.300 0.147 0.000 2.637 572 C HA 0.276 4.738 4.460 0.003 0.000 0.418 572 C C 1.427 176.547 174.990 0.217 0.000 1.319 572 C CA -0.247 58.860 59.018 0.148 0.000 1.949 572 C CB -0.351 27.412 27.740 0.038 0.000 2.639 572 C HN 0.422 nan 8.230 nan 0.000 0.594 573 L N 5.560 126.950 121.223 0.279 0.000 2.516 573 L HA 0.151 4.493 4.340 0.003 0.000 0.288 573 L C -1.492 175.556 176.870 0.297 0.000 1.246 573 L CA -0.578 54.450 54.840 0.314 0.000 0.844 573 L CB 0.117 42.365 42.059 0.315 0.000 1.106 573 L HN 0.501 nan 8.230 nan 0.000 0.509 574 P HA 0.165 nan 4.420 nan 0.000 0.279 574 P C -1.436 175.880 177.300 0.026 0.000 1.252 574 P CA -0.673 62.488 63.100 0.102 0.000 0.811 574 P CB 1.186 32.914 31.700 0.048 0.000 1.035 575 K N 1.408 121.736 120.400 -0.120 0.000 2.265 575 K HA 0.478 4.799 4.320 0.003 0.000 0.267 575 K C -1.429 175.074 176.600 -0.161 0.000 0.994 575 K CA -0.685 55.385 56.287 -0.363 0.000 0.860 575 K CB 0.731 32.867 32.500 -0.606 0.000 1.099 575 K HN 0.203 nan 8.250 nan 0.000 0.448 576 V N 3.844 123.698 119.914 -0.100 0.000 2.525 576 V HA 0.178 4.299 4.120 0.003 0.000 0.299 576 V C -0.826 175.363 176.094 0.158 0.000 1.034 576 V CA -0.850 61.485 62.300 0.058 0.000 0.863 576 V CB 1.609 33.513 31.823 0.135 0.000 0.999 576 V HN 0.968 nan 8.190 nan 0.000 0.423 577 D N 3.933 124.389 120.400 0.093 0.000 2.689 577 D HA -0.154 4.488 4.640 0.003 0.000 0.237 577 D C 1.289 177.567 176.300 -0.037 0.000 1.148 577 D CA 2.108 56.130 54.000 0.036 0.000 0.656 577 D CB -1.123 39.704 40.800 0.045 0.000 1.050 577 D HN 1.567 nan 8.370 nan 0.000 0.426 578 G N -0.922 107.837 108.800 -0.068 0.000 2.179 578 G HA2 -0.350 3.612 3.960 0.003 0.000 0.260 578 G HA3 -0.350 3.612 3.960 0.003 0.000 0.260 578 G C 0.238 175.064 174.900 -0.123 0.000 0.977 578 G CA 0.691 45.734 45.100 -0.095 0.000 0.641 578 G HN 0.555 nan 8.290 nan 0.000 0.533 579 K N -0.879 119.433 120.400 -0.146 0.000 2.523 579 K HA 0.483 4.805 4.320 0.003 0.000 0.257 579 K C -1.001 175.445 176.600 -0.257 0.000 0.932 579 K CA -1.034 55.165 56.287 -0.147 0.000 0.812 579 K CB 1.578 34.073 32.500 -0.009 0.000 1.326 579 K HN 0.077 nan 8.250 nan 0.000 0.433 580 Y N 2.189 122.483 120.300 -0.009 0.000 2.465 580 Y HA 0.113 4.664 4.550 0.001 0.000 0.331 580 Y C 0.479 176.349 175.900 -0.050 0.000 1.102 580 Y CA -0.263 57.828 58.100 -0.014 0.000 1.358 580 Y CB 0.389 38.851 38.460 0.003 0.000 1.213 580 Y HN 0.186 nan 8.280 nan 0.000 0.525 581 I N 4.094 124.677 120.570 0.021 0.000 2.406 581 I HA 0.251 4.423 4.170 0.003 0.000 0.290 581 I C -0.359 175.762 176.117 0.006 0.000 0.999 581 I CA -0.908 60.337 61.300 -0.092 0.000 1.124 581 I CB 1.581 39.381 38.000 -0.334 0.000 1.289 581 I HN 0.641 nan 8.210 nan 0.000 0.441 582 Q N 5.250 125.064 119.800 0.023 0.000 2.309 582 Q HA 0.622 4.963 4.340 0.003 0.000 0.264 582 Q C -1.737 174.279 176.000 0.027 0.000 1.008 582 Q CA -0.581 55.276 55.803 0.089 0.000 0.853 582 Q CB 2.509 31.331 28.738 0.140 0.000 1.314 582 Q HN 0.479 nan 8.270 nan 0.000 0.448 583 V N 3.305 123.249 119.914 0.050 0.000 2.427 583 V HA 0.445 4.566 4.120 0.003 0.000 0.286 583 V C -0.407 175.737 176.094 0.083 0.000 1.034 583 V CA -0.569 61.738 62.300 0.012 0.000 0.893 583 V CB 1.291 33.087 31.823 -0.045 0.000 0.982 583 V HN 0.911 nan 8.190 nan 0.000 0.452 584 C N 3.212 122.506 119.300 -0.011 0.000 2.614 584 C HA 0.902 5.363 4.460 0.003 0.000 0.320 584 C C 0.416 175.313 174.990 -0.156 0.000 1.200 584 C CA -0.534 58.445 59.018 -0.065 0.000 1.700 584 C CB 1.869 29.457 27.740 -0.253 0.000 2.275 584 C HN 0.996 nan 8.230 nan 0.000 0.492 585 T N -0.831 113.632 114.554 -0.152 0.000 2.906 585 T HA 0.776 5.127 4.350 0.003 0.000 0.295 585 T C -1.012 173.430 174.700 -0.430 0.000 1.075 585 T CA -0.399 61.587 62.100 -0.190 0.000 1.005 585 T CB 1.049 70.007 68.868 0.150 0.000 1.136 585 T HN 0.311 nan 8.240 nan 0.000 0.498 586 F N 1.468 121.329 119.950 -0.149 0.000 2.425 586 F HA 0.630 5.136 4.527 -0.035 0.000 0.331 586 F C 1.146 176.888 175.800 -0.096 0.000 1.085 586 F CA -0.577 57.341 58.000 -0.137 0.000 1.028 586 F CB 2.048 40.908 39.000 -0.233 0.000 1.177 586 F HN 0.855 nan 8.300 nan 0.000 0.487 587 T N -0.472 114.209 114.554 0.212 0.000 2.855 587 T HA 0.792 5.144 4.350 0.003 0.000 0.281 587 T C -1.001 173.779 174.700 0.132 0.000 1.007 587 T CA -0.809 61.364 62.100 0.122 0.000 1.009 587 T CB 1.543 70.490 68.868 0.131 0.000 0.983 587 T HN 0.333 nan 8.240 nan 0.000 0.455 588 V N 2.108 122.046 119.914 0.039 0.000 2.482 588 V HA 0.657 4.779 4.120 0.003 0.000 0.295 588 V C 1.073 177.145 176.094 -0.037 0.000 1.026 588 V CA -0.150 62.154 62.300 0.006 0.000 0.856 588 V CB 0.813 32.626 31.823 -0.017 0.000 1.001 588 V HN 1.448 nan 8.190 nan 0.000 0.424 589 G N 3.477 112.257 108.800 -0.032 0.000 2.225 589 G HA2 0.032 3.993 3.960 0.003 0.000 0.267 589 G HA3 0.032 3.993 3.960 0.003 0.000 0.267 589 G C 1.208 176.088 174.900 -0.032 0.000 1.024 589 G CA 0.936 46.030 45.100 -0.010 0.000 0.784 589 G HN 2.351 nan 8.290 nan 0.000 0.507 590 G N -1.829 106.874 108.800 -0.162 0.000 2.195 590 G HA2 -0.259 3.702 3.960 0.003 0.000 0.246 590 G HA3 -0.259 3.702 3.960 0.003 0.000 0.246 590 G C 0.114 174.817 174.900 -0.329 0.000 0.984 590 G CA 0.638 45.418 45.100 -0.533 0.000 0.633 590 G HN 1.164 nan 8.290 nan 0.000 0.525 591 N N -0.812 117.814 118.700 -0.123 0.000 2.381 591 N HA 0.471 5.213 4.740 0.003 0.000 0.294 591 N C -0.461 175.090 175.510 0.068 0.000 1.216 591 N CA -0.726 52.322 53.050 -0.003 0.000 0.803 591 N CB 1.046 39.537 38.487 0.007 0.000 1.372 591 N HN 0.183 nan 8.380 nan 0.000 0.500 592 Y N 0.358 120.658 120.300 -0.000 0.000 2.895 592 Y HA 0.164 4.681 4.550 -0.056 0.000 0.334 592 Y C 1.215 177.150 175.900 0.058 0.000 1.261 592 Y CA 0.801 58.920 58.100 0.032 0.000 1.560 592 Y CB 0.270 38.745 38.460 0.024 0.000 1.253 592 Y HN 0.664 nan 8.280 nan 0.000 0.582 593 G N 2.811 111.289 108.800 -0.537 0.000 3.979 593 G HA2 0.498 4.460 3.960 0.003 0.000 0.287 593 G HA3 0.498 4.460 3.960 0.003 0.000 0.287 593 G C -0.006 174.613 174.900 -0.467 0.000 1.011 593 G CA 0.185 45.068 45.100 -0.361 0.000 0.818 593 G HN 1.342 nan 8.290 nan 0.000 0.470 594 G N -0.952 107.141 108.800 -1.178 0.000 2.351 594 G HA2 0.422 4.383 3.960 0.003 0.000 0.353 594 G HA3 0.422 4.383 3.960 0.003 0.000 0.353 594 G C -1.051 173.700 174.900 -0.248 0.000 1.358 594 G CA -0.268 44.534 45.100 -0.497 0.000 0.995 594 G HN 0.563 nan 8.290 nan 0.000 0.611 595 T N -0.482 114.125 114.554 0.088 0.000 2.900 595 T HA 0.787 5.138 4.350 0.003 0.000 0.295 595 T C 0.015 174.748 174.700 0.055 0.000 1.044 595 T CA 0.161 62.303 62.100 0.069 0.000 0.995 595 T CB 1.283 70.227 68.868 0.127 0.000 1.072 595 T HN 1.998 nan 8.240 nan 0.000 0.473 596 C N 1.294 120.577 119.300 -0.028 0.000 3.323 596 C HA 0.898 5.360 4.460 0.003 0.000 0.324 596 C C -1.467 173.488 174.990 -0.058 0.000 1.428 596 C CA -1.152 57.856 59.018 -0.016 0.000 1.368 596 C CB -0.102 27.666 27.740 0.046 0.000 1.731 596 C HN 0.888 nan 8.230 nan 0.000 0.455 597 L N 1.260 122.449 121.223 -0.058 0.000 2.333 597 L HA 0.772 5.114 4.340 0.003 0.000 0.269 597 L C -0.242 176.595 176.870 -0.055 0.000 1.010 597 L CA -0.652 54.144 54.840 -0.074 0.000 0.818 597 L CB 1.555 43.546 42.059 -0.113 0.000 1.306 597 L HN 0.659 nan 8.230 nan 0.000 0.430 598 R N 0.951 121.424 120.500 -0.046 0.000 2.621 598 R HA 0.699 5.041 4.340 0.003 0.000 0.292 598 R C -0.566 175.722 176.300 -0.020 0.000 0.969 598 R CA -0.824 55.265 56.100 -0.018 0.000 0.887 598 R CB 1.983 32.283 30.300 0.001 0.000 1.180 598 R HN 0.805 nan 8.270 nan 0.000 0.450 599 G N 0.523 109.322 108.800 -0.002 0.000 2.542 599 G HA2 0.532 4.494 3.960 0.003 0.000 0.311 599 G HA3 0.532 4.494 3.960 0.003 0.000 0.311 599 G C -1.458 173.471 174.900 0.048 0.000 1.298 599 G CA -0.254 44.853 45.100 0.012 0.000 0.973 599 G HN 0.459 nan 8.290 nan 0.000 0.487 600 D N -0.440 120.015 120.400 0.093 0.000 2.661 600 D HA 0.367 5.008 4.640 0.003 0.000 0.228 600 D C 0.761 177.180 176.300 0.198 0.000 1.210 600 D CA -0.519 53.548 54.000 0.111 0.000 0.826 600 D CB 1.935 42.786 40.800 0.086 0.000 1.542 600 D HN 0.159 nan 8.370 nan 0.000 0.447 601 E N 0.105 120.393 120.200 0.147 0.000 2.347 601 E HA 0.014 4.366 4.350 0.003 0.000 0.196 601 E C 0.685 177.454 176.600 0.282 0.000 1.008 601 E CA 0.428 56.933 56.400 0.176 0.000 0.852 601 E CB -0.207 29.551 29.700 0.096 0.000 0.783 601 E HN 0.353 nan 8.360 nan 0.000 0.505 602 S N -0.815 114.981 115.700 0.160 0.000 2.739 602 S HA 0.358 4.830 4.470 0.003 0.000 0.306 602 S C 0.951 175.339 174.600 -0.352 0.000 1.115 602 S CA -0.749 57.424 58.200 -0.045 0.000 0.985 602 S CB 1.235 64.401 63.200 -0.056 0.000 1.133 602 S HN 0.036 nan 8.310 nan 0.000 0.541 603 L N 0.866 121.736 121.223 -0.587 0.000 2.376 603 L HA 0.177 4.519 4.340 0.003 0.000 0.219 603 L C -0.078 176.611 176.870 -0.302 0.000 1.133 603 L CA 0.328 54.777 54.840 -0.651 0.000 0.816 603 L CB -0.009 41.746 42.059 -0.506 0.000 0.933 603 L HN 0.467 nan 8.230 nan 0.000 0.449 604 V N 1.675 121.465 119.914 -0.206 0.000 2.333 604 V HA 0.215 4.337 4.120 0.003 0.000 0.274 604 V C 0.474 176.517 176.094 -0.084 0.000 1.028 604 V CA -0.759 61.454 62.300 -0.144 0.000 0.851 604 V CB 1.377 33.129 31.823 -0.118 0.000 1.000 604 V HN -0.035 nan 8.190 nan 0.000 0.456 605 I N 5.309 125.837 120.570 -0.069 0.000 2.634 605 I HA 0.309 4.481 4.170 0.003 0.000 0.284 605 I C 0.515 176.615 176.117 -0.028 0.000 1.124 605 I CA 0.302 61.587 61.300 -0.026 0.000 1.417 605 I CB 0.377 38.374 38.000 -0.004 0.000 1.396 605 I HN 0.666 nan 8.210 nan 0.000 0.571 606 K N 4.371 124.766 120.400 -0.009 0.000 2.409 606 K HA 0.350 4.671 4.320 0.003 0.000 0.252 606 K C 0.651 177.255 176.600 0.006 0.000 1.036 606 K CA -0.993 55.293 56.287 -0.002 0.000 0.871 606 K CB 2.004 34.505 32.500 0.001 0.000 1.374 606 K HN 0.262 nan 8.250 nan 0.000 0.459 607 K N 1.408 121.813 120.400 0.009 0.000 2.074 607 K HA -0.186 4.135 4.320 0.003 0.000 0.209 607 K C 1.306 177.915 176.600 0.014 0.000 1.048 607 K CA 1.965 58.257 56.287 0.008 0.000 0.926 607 K CB 0.204 32.707 32.500 0.004 0.000 0.713 607 K HN 0.567 nan 8.250 nan 0.000 0.444 608 E N 0.338 120.547 120.200 0.014 0.000 2.481 608 E HA 0.010 4.362 4.350 0.003 0.000 0.195 608 E C 0.169 176.783 176.600 0.023 0.000 1.047 608 E CA 0.047 56.458 56.400 0.018 0.000 0.867 608 E CB -0.041 29.667 29.700 0.013 0.000 0.858 608 E HN -0.021 nan 8.360 nan 0.000 0.513 609 S N 2.394 118.107 115.700 0.021 0.000 2.558 609 S HA -0.013 4.459 4.470 0.003 0.000 0.287 609 S C 0.234 174.852 174.600 0.030 0.000 1.321 609 S CA -0.051 58.164 58.200 0.025 0.000 1.048 609 S CB 0.390 63.603 63.200 0.022 0.000 0.844 609 S HN 0.191 nan 8.310 nan 0.000 0.512 610 D N 0.734 121.152 120.400 0.031 0.000 2.361 610 D HA 0.186 4.828 4.640 0.003 0.000 0.239 610 D C -0.001 176.312 176.300 0.022 0.000 1.200 610 D CA -0.113 53.906 54.000 0.032 0.000 0.915 610 D CB 0.516 41.333 40.800 0.027 0.000 1.170 610 D HN 0.296 nan 8.370 nan 0.000 0.444 611 I N 1.144 121.725 120.570 0.018 0.000 2.336 611 I HA 0.058 4.229 4.170 0.003 0.000 0.292 611 I C -0.403 175.687 176.117 -0.044 0.000 0.991 611 I CA -0.347 60.949 61.300 -0.006 0.000 1.227 611 I CB 0.783 38.786 38.000 0.005 0.000 1.366 611 I HN 0.037 nan 8.210 nan 0.000 0.466 612 E N 8.622 128.793 120.200 -0.048 0.000 2.156 612 E HA 0.385 4.736 4.350 0.003 0.000 0.279 612 E C -2.420 174.094 176.600 -0.144 0.000 0.965 612 E CA -2.247 54.134 56.400 -0.032 0.000 0.789 612 E CB 0.850 30.623 29.700 0.120 0.000 1.098 612 E HN 0.354 nan 8.360 nan 0.000 0.397 613 P HA -0.007 nan 4.420 nan 0.000 0.264 613 P C -0.637 176.473 177.300 -0.316 0.000 1.183 613 P CA 0.007 62.670 63.100 -0.728 0.000 0.763 613 P CB 0.343 30.987 31.700 -1.760 0.000 0.807 614 L N 5.073 126.147 121.223 -0.248 0.000 2.385 614 L HA 0.567 4.908 4.340 0.003 0.000 0.273 614 L C -1.423 175.376 176.870 -0.117 0.000 0.990 614 L CA -0.322 54.468 54.840 -0.084 0.000 0.821 614 L CB 1.238 43.258 42.059 -0.066 0.000 1.279 614 L HN 0.157 nan 8.230 nan 0.000 0.412 615 I N 5.879 126.415 120.570 -0.057 0.000 2.436 615 I HA 0.377 4.548 4.170 0.003 0.000 0.289 615 I C -0.476 175.534 176.117 -0.180 0.000 1.010 615 I CA -0.653 60.538 61.300 -0.181 0.000 1.098 615 I CB 1.977 39.830 38.000 -0.245 0.000 1.266 615 I HN 0.272 nan 8.210 nan 0.000 0.434 616 V N 6.809 126.466 119.914 -0.429 0.000 2.465 616 V HA 0.422 4.543 4.120 0.003 0.000 0.279 616 V C 0.098 176.039 176.094 -0.254 0.000 1.045 616 V CA -0.563 61.464 62.300 -0.455 0.000 0.938 616 V CB 1.768 33.017 31.823 -0.957 0.000 0.986 616 V HN 0.539 nan 8.190 nan 0.000 0.467 617 V N 3.107 123.001 119.914 -0.033 0.000 2.588 617 V HA 0.700 4.822 4.120 0.003 0.000 0.304 617 V C -0.297 175.869 176.094 0.121 0.000 1.042 617 V CA -1.036 61.322 62.300 0.097 0.000 0.877 617 V CB 1.488 33.376 31.823 0.109 0.000 0.996 617 V HN 0.901 nan 8.190 nan 0.000 0.425 618 K N 0.000 120.497 120.400 0.161 0.000 2.780 618 K HA 0.000 4.322 4.320 0.003 0.000 0.191 618 K CA 0.000 56.366 56.287 0.132 0.000 0.838 618 K CB 0.000 32.587 32.500 0.144 0.000 1.064 618 K HN 0.000 nan 8.250 nan 0.000 0.543