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 2jdi_1_D DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.837 174.700 0.229 0.000 1.109 9 T CA 0.000 62.176 62.100 0.126 0.000 1.349 9 T CB 0.000 68.939 68.868 0.118 0.000 0.612 10 T N 1.215 115.887 114.554 0.196 0.000 2.829 10 T HA 0.827 5.177 4.350 0.000 0.000 0.280 10 T C 0.413 175.000 174.700 -0.188 0.000 0.999 10 T CA -0.381 61.757 62.100 0.063 0.000 0.983 10 T CB 1.624 70.488 68.868 -0.007 0.000 0.968 10 T HN 1.136 nan 8.240 nan 0.000 0.446 11 G N 1.517 109.929 108.800 -0.645 0.000 2.816 11 G HA2 0.780 4.740 3.960 0.000 0.000 0.288 11 G HA3 0.780 4.740 3.960 0.000 0.000 0.288 11 G C -1.383 173.179 174.900 -0.564 0.000 1.334 11 G CA -1.002 43.393 45.100 -1.176 0.000 0.978 11 G HN 0.606 nan 8.290 nan 0.000 0.493 12 R N -0.548 119.676 120.500 -0.460 0.000 2.628 12 R HA 0.386 4.726 4.340 0.000 0.000 0.288 12 R C -0.502 175.681 176.300 -0.194 0.000 0.980 12 R CA -0.781 55.172 56.100 -0.245 0.000 0.891 12 R CB 2.519 32.718 30.300 -0.168 0.000 1.188 12 R HN 0.401 nan 8.270 nan 0.000 0.450 13 I N 3.037 123.530 120.570 -0.128 0.000 2.683 13 I HA -0.108 4.062 4.170 0.000 0.000 0.286 13 I C 1.489 177.567 176.117 -0.065 0.000 1.175 13 I CA 0.237 61.489 61.300 -0.080 0.000 1.429 13 I CB 0.727 38.696 38.000 -0.053 0.000 1.371 13 I HN 0.579 nan 8.210 nan 0.000 0.569 14 V N 2.740 122.625 119.914 -0.048 0.000 3.572 14 V HA 0.578 4.698 4.120 0.000 0.000 0.260 14 V C 0.546 176.627 176.094 -0.022 0.000 1.324 14 V CA 0.361 62.640 62.300 -0.035 0.000 1.068 14 V CB 0.205 32.009 31.823 -0.032 0.000 0.837 14 V HN 0.730 nan 8.190 nan 0.000 0.450 15 A N -0.110 122.700 122.820 -0.016 0.000 2.520 15 A HA 0.833 5.153 4.320 0.000 0.000 0.298 15 A C -1.267 176.312 177.584 -0.008 0.000 1.051 15 A CA -0.432 51.599 52.037 -0.010 0.000 0.690 15 A CB 2.329 21.326 19.000 -0.005 0.000 1.281 15 A HN 0.552 nan 8.150 nan 0.000 0.402 16 V N 2.721 122.630 119.914 -0.008 0.000 2.524 16 V HA 0.490 4.610 4.120 0.000 0.000 0.297 16 V C -0.881 175.210 176.094 -0.005 0.000 1.035 16 V CA -0.036 62.260 62.300 -0.006 0.000 0.867 16 V CB 1.184 33.002 31.823 -0.008 0.000 1.004 16 V HN 0.710 nan 8.190 nan 0.000 0.426 17 I N 4.232 124.800 120.570 -0.004 0.000 2.468 17 I HA 0.638 4.808 4.170 0.000 0.000 0.284 17 I C 1.061 177.175 176.117 -0.005 0.000 1.038 17 I CA -0.111 61.186 61.300 -0.005 0.000 1.083 17 I CB 1.559 39.557 38.000 -0.004 0.000 1.223 17 I HN 0.812 nan 8.210 nan 0.000 0.443 18 G N 4.837 113.633 108.800 -0.006 0.000 2.651 18 G HA2 -0.384 3.576 3.960 0.000 0.000 0.315 18 G HA3 -0.384 3.576 3.960 0.000 0.000 0.315 18 G C 0.922 175.818 174.900 -0.006 0.000 1.258 18 G CA 0.690 45.786 45.100 -0.007 0.000 1.002 18 G HN 0.866 nan 8.290 nan 0.000 0.551 19 A N -0.830 121.986 122.820 -0.008 0.000 2.208 19 A HA 0.551 4.872 4.320 0.000 0.000 0.209 19 A C 1.048 178.631 177.584 -0.002 0.000 1.161 19 A CA 1.582 53.616 52.037 -0.006 0.000 0.782 19 A CB 0.022 19.016 19.000 -0.011 0.000 0.816 19 A HN 1.345 nan 8.150 nan 0.000 0.477 20 V N 1.184 121.097 119.914 -0.003 0.000 2.383 20 V HA 0.366 4.486 4.120 0.000 0.000 0.275 20 V C -0.546 175.551 176.094 0.005 0.000 1.036 20 V CA -0.327 61.974 62.300 0.002 0.000 0.889 20 V CB 1.219 33.042 31.823 -0.001 0.000 0.985 20 V HN 0.086 nan 8.190 nan 0.000 0.459 21 V N 4.219 124.140 119.914 0.011 0.000 2.487 21 V HA 0.468 4.588 4.120 0.000 0.000 0.298 21 V C -0.731 175.375 176.094 0.020 0.000 1.028 21 V CA -0.776 61.531 62.300 0.011 0.000 0.860 21 V CB 2.060 33.890 31.823 0.012 0.000 0.991 21 V HN 0.782 nan 8.190 nan 0.000 0.427 22 D N 3.295 123.703 120.400 0.014 0.000 2.198 22 D HA 0.603 5.243 4.640 0.000 0.000 0.245 22 D C -0.555 175.751 176.300 0.010 0.000 1.079 22 D CA -0.024 53.988 54.000 0.021 0.000 0.854 22 D CB 2.223 43.031 40.800 0.013 0.000 1.148 22 D HN 0.275 nan 8.370 nan 0.000 0.456 23 V N 2.204 122.139 119.914 0.035 0.000 2.588 23 V HA 0.321 4.442 4.120 0.000 0.000 0.304 23 V C -0.163 175.934 176.094 0.006 0.000 1.042 23 V CA -0.931 61.359 62.300 -0.016 0.000 0.877 23 V CB 1.950 33.784 31.823 0.018 0.000 0.996 23 V HN 0.397 nan 8.190 nan 0.000 0.425 24 Q N 2.848 122.577 119.800 -0.118 0.000 2.256 24 Q HA 0.644 4.984 4.340 0.000 0.000 0.257 24 Q C -1.924 173.941 176.000 -0.224 0.000 0.936 24 Q CA -0.473 55.293 55.803 -0.062 0.000 0.903 24 Q CB 1.436 30.140 28.738 -0.056 0.000 1.263 24 Q HN 0.632 nan 8.270 nan 0.000 0.440 25 F N 2.260 122.178 119.950 -0.054 0.000 2.482 25 F HA 0.241 4.768 4.527 0.000 0.000 0.331 25 F C 0.548 176.322 175.800 -0.044 0.000 1.115 25 F CA -0.711 57.260 58.000 -0.049 0.000 0.955 25 F CB 1.779 40.742 39.000 -0.062 0.000 1.136 25 F HN 0.637 nan 8.300 nan 0.000 0.452 26 D N 0.977 121.437 120.400 0.100 0.000 2.194 26 D HA -0.054 4.586 4.640 0.000 0.000 0.204 26 D C 1.192 177.532 176.300 0.066 0.000 0.964 26 D CA 1.249 55.283 54.000 0.056 0.000 0.846 26 D CB 0.431 41.242 40.800 0.019 0.000 0.962 26 D HN 0.507 nan 8.370 nan 0.000 0.490 27 E N -0.042 120.217 120.200 0.100 0.000 3.658 27 E HA 0.284 4.634 4.350 0.000 0.000 0.302 27 E C 0.968 177.593 176.600 0.042 0.000 0.845 27 E CA -0.232 56.205 56.400 0.062 0.000 1.239 27 E CB -0.924 28.809 29.700 0.054 0.000 2.708 27 E HN -0.027 nan 8.360 nan 0.000 0.533 28 G N 2.101 110.915 108.800 0.024 0.000 2.356 28 G HA2 0.334 4.294 3.960 0.000 0.000 0.273 28 G HA3 0.334 4.294 3.960 0.000 0.000 0.273 28 G C -0.388 174.415 174.900 -0.162 0.000 1.213 28 G CA -0.234 44.839 45.100 -0.044 0.000 0.955 28 G HN -0.049 nan 8.290 nan 0.000 0.454 29 L N 5.642 126.744 121.223 -0.201 0.000 2.367 29 L HA 0.346 4.686 4.340 0.000 0.000 0.275 29 L C -1.510 175.134 176.870 -0.378 0.000 1.129 29 L CA -1.778 52.826 54.840 -0.393 0.000 0.839 29 L CB 0.901 42.755 42.059 -0.342 0.000 1.133 29 L HN 0.346 nan 8.230 nan 0.000 0.453 30 P HA 0.235 nan 4.420 nan 0.000 0.276 30 P C -2.744 174.543 177.300 -0.022 0.000 1.235 30 P CA -1.420 61.491 63.100 -0.315 0.000 0.772 30 P CB 0.207 31.651 31.700 -0.427 0.000 0.871 31 P HA 0.131 nan 4.420 nan 0.000 0.269 31 P C 0.531 177.824 177.300 -0.013 0.000 1.215 31 P CA -0.068 63.045 63.100 0.021 0.000 0.780 31 P CB 0.644 32.318 31.700 -0.042 0.000 0.898 32 I N 2.657 123.155 120.570 -0.120 0.000 2.880 32 I HA -0.191 3.980 4.170 0.000 0.000 0.296 32 I C 1.663 177.703 176.117 -0.128 0.000 1.220 32 I CA 0.716 61.941 61.300 -0.125 0.000 1.435 32 I CB -0.369 37.514 38.000 -0.194 0.000 1.339 32 I HN 0.478 nan 8.210 nan 0.000 0.583 33 L N 1.456 122.598 121.223 -0.135 0.000 3.803 33 L HA -0.257 4.083 4.340 0.000 0.000 0.407 33 L C 0.354 177.175 176.870 -0.083 0.000 0.735 33 L CA 0.229 54.945 54.840 -0.207 0.000 2.621 33 L CB -1.469 40.361 42.059 -0.382 0.000 1.075 33 L HN 0.690 nan 8.230 nan 0.000 0.644 34 N N 1.280 119.952 118.700 -0.046 0.000 2.454 34 N HA 0.438 5.178 4.740 0.000 0.000 0.254 34 N C 0.268 175.787 175.510 0.014 0.000 1.228 34 N CA 0.985 54.026 53.050 -0.015 0.000 0.900 34 N CB 0.823 39.292 38.487 -0.031 0.000 1.089 34 N HN 0.316 nan 8.380 nan 0.000 0.449 35 A N 2.796 125.632 122.820 0.027 0.000 2.320 35 A HA 0.499 4.819 4.320 0.000 0.000 0.287 35 A C -0.347 177.260 177.584 0.039 0.000 1.181 35 A CA -0.461 51.599 52.037 0.038 0.000 0.831 35 A CB -0.056 18.965 19.000 0.036 0.000 1.102 35 A HN 0.629 nan 8.150 nan 0.000 0.513 36 L N 2.325 123.582 121.223 0.057 0.000 2.334 36 L HA 0.492 4.832 4.340 0.000 0.000 0.276 36 L C -0.234 176.672 176.870 0.059 0.000 1.014 36 L CA -0.756 54.134 54.840 0.082 0.000 0.815 36 L CB 1.664 43.807 42.059 0.139 0.000 1.268 36 L HN 0.589 nan 8.230 nan 0.000 0.428 37 E N 2.752 122.983 120.200 0.052 0.000 2.113 37 E HA 0.299 4.649 4.350 0.000 0.000 0.273 37 E C -0.740 175.874 176.600 0.023 0.000 0.924 37 E CA -0.620 55.797 56.400 0.029 0.000 0.764 37 E CB 2.450 32.161 29.700 0.018 0.000 1.104 37 E HN 0.207 nan 8.360 nan 0.000 0.406 38 V N 4.073 123.996 119.914 0.014 0.000 2.555 38 V HA -0.015 4.105 4.120 0.000 0.000 0.286 38 V C 0.657 176.748 176.094 -0.004 0.000 1.044 38 V CA -0.342 61.959 62.300 0.001 0.000 1.026 38 V CB 0.711 32.533 31.823 -0.001 0.000 0.981 38 V HN 0.481 nan 8.190 nan 0.000 0.480 39 Q N 2.409 122.202 119.800 -0.012 0.000 2.260 39 Q HA 0.440 4.780 4.340 0.000 0.000 0.238 39 Q C 1.151 177.143 176.000 -0.014 0.000 0.948 39 Q CA 0.385 56.180 55.803 -0.013 0.000 0.895 39 Q CB 1.097 29.825 28.738 -0.017 0.000 1.218 39 Q HN 1.155 nan 8.270 nan 0.000 0.470 40 G N 1.590 110.383 108.800 -0.012 0.000 2.198 40 G HA2 -0.226 3.734 3.960 0.000 0.000 0.257 40 G HA3 -0.226 3.734 3.960 0.000 0.000 0.257 40 G C -0.194 174.701 174.900 -0.009 0.000 1.042 40 G CA 0.007 45.100 45.100 -0.011 0.000 0.791 40 G HN 0.273 nan 8.290 nan 0.000 0.502 41 R N -0.443 120.053 120.500 -0.007 0.000 2.664 41 R HA 0.446 4.786 4.340 0.000 0.000 0.286 41 R C 1.061 177.358 176.300 -0.004 0.000 0.967 41 R CA -0.508 55.589 56.100 -0.005 0.000 0.933 41 R CB 1.299 31.597 30.300 -0.003 0.000 1.146 41 R HN 0.424 nan 8.270 nan 0.000 0.468 42 E N 0.978 121.176 120.200 -0.003 0.000 2.047 42 E HA -0.104 4.246 4.350 0.000 0.000 0.191 42 E C -0.116 176.483 176.600 -0.001 0.000 0.987 42 E CA 1.295 57.694 56.400 -0.002 0.000 0.799 42 E CB 0.347 30.046 29.700 -0.002 0.000 0.752 42 E HN 0.663 nan 8.360 nan 0.000 0.449 43 T N -1.903 112.651 114.554 -0.000 0.000 2.912 43 T HA 0.374 4.724 4.350 0.000 0.000 0.288 43 T C -0.239 174.462 174.700 0.002 0.000 1.030 43 T CA -0.989 61.112 62.100 0.001 0.000 1.020 43 T CB 1.756 70.625 68.868 0.002 0.000 1.056 43 T HN 0.060 nan 8.240 nan 0.000 0.480 44 R N 0.976 121.478 120.500 0.002 0.000 2.486 44 R HA 0.192 4.532 4.340 0.000 0.000 0.303 44 R C -0.944 175.359 176.300 0.006 0.000 0.958 44 R CA -0.367 55.735 56.100 0.003 0.000 1.077 44 R CB -0.247 30.055 30.300 0.003 0.000 0.921 44 R HN 0.551 nan 8.270 nan 0.000 0.406 45 L N 6.436 127.663 121.223 0.006 0.000 2.295 45 L HA 0.321 4.661 4.340 0.000 0.000 0.281 45 L C -1.137 175.742 176.870 0.014 0.000 1.018 45 L CA -0.467 54.379 54.840 0.009 0.000 0.841 45 L CB 1.719 43.782 42.059 0.006 0.000 1.218 45 L HN 0.314 nan 8.230 nan 0.000 0.424 46 V N 6.238 126.163 119.914 0.018 0.000 2.481 46 V HA 0.449 4.569 4.120 0.000 0.000 0.286 46 V C 0.120 176.232 176.094 0.031 0.000 1.042 46 V CA -0.543 61.773 62.300 0.026 0.000 0.928 46 V CB 1.568 33.406 31.823 0.026 0.000 0.986 46 V HN 0.578 nan 8.190 nan 0.000 0.462 47 L N 4.037 125.284 121.223 0.040 0.000 2.322 47 L HA 0.607 4.947 4.340 0.000 0.000 0.281 47 L C -0.054 176.847 176.870 0.052 0.000 1.014 47 L CA -0.387 54.480 54.840 0.045 0.000 0.815 47 L CB 1.872 43.963 42.059 0.053 0.000 1.247 47 L HN 0.647 nan 8.230 nan 0.000 0.421 48 E N 2.325 122.555 120.200 0.050 0.000 2.156 48 E HA 0.349 4.699 4.350 0.000 0.000 0.279 48 E C -1.046 175.578 176.600 0.040 0.000 0.965 48 E CA -0.800 55.631 56.400 0.052 0.000 0.789 48 E CB 1.851 31.595 29.700 0.074 0.000 1.098 48 E HN 0.348 nan 8.360 nan 0.000 0.397 49 V N 4.288 124.221 119.914 0.032 0.000 2.485 49 V HA 0.083 4.203 4.120 0.000 0.000 0.287 49 V C 0.912 177.011 176.094 0.009 0.000 1.022 49 V CA 0.873 63.195 62.300 0.036 0.000 1.067 49 V CB 0.668 32.516 31.823 0.042 0.000 0.967 49 V HN 0.883 nan 8.190 nan 0.000 0.479 50 A N 4.200 127.034 122.820 0.023 0.000 2.026 50 A HA 0.334 4.654 4.320 0.000 0.000 0.201 50 A C 0.725 178.310 177.584 0.001 0.000 1.318 50 A CA 0.237 52.274 52.037 -0.000 0.000 0.857 50 A CB 0.382 19.385 19.000 0.005 0.000 0.939 50 A HN 0.754 nan 8.150 nan 0.000 0.476 51 Q N -0.911 118.919 119.800 0.049 0.000 2.418 51 Q HA 0.360 4.700 4.340 0.000 0.000 0.282 51 Q C -1.696 174.428 176.000 0.207 0.000 1.044 51 Q CA -0.537 55.305 55.803 0.065 0.000 0.813 51 Q CB 1.945 30.712 28.738 0.047 0.000 1.428 51 Q HN 0.635 nan 8.270 nan 0.000 0.402 52 H N 2.300 121.362 119.070 -0.013 0.000 2.597 52 H HA 0.233 4.789 4.556 0.000 0.000 0.303 52 H C 0.591 175.920 175.328 0.001 0.000 1.057 52 H CA -0.282 55.762 56.048 -0.008 0.000 1.261 52 H CB 1.041 30.792 29.762 -0.019 0.000 1.397 52 H HN 0.445 nan 8.280 nan 0.000 0.461 53 L N 2.904 124.185 121.223 0.098 0.000 2.395 53 L HA 0.120 4.460 4.340 0.000 0.000 0.218 53 L C 1.251 178.147 176.870 0.043 0.000 1.130 53 L CA 0.555 55.429 54.840 0.057 0.000 0.826 53 L CB -0.141 41.941 42.059 0.038 0.000 0.941 53 L HN 0.899 nan 8.230 nan 0.000 0.451 54 G N 0.216 109.040 108.800 0.040 0.000 2.712 54 G HA2 -0.194 3.766 3.960 0.000 0.000 0.683 54 G HA3 -0.194 3.766 3.960 0.000 0.000 0.683 54 G C 0.016 174.921 174.900 0.009 0.000 1.320 54 G CA -0.388 44.726 45.100 0.024 0.000 0.847 54 G HN 0.331 nan 8.290 nan 0.000 0.553 55 E N -1.018 119.186 120.200 0.006 0.000 2.440 55 E HA -0.193 4.157 4.350 0.000 0.000 0.246 55 E C 1.031 177.633 176.600 0.003 0.000 1.165 55 E CA 1.126 57.528 56.400 0.004 0.000 0.726 55 E CB -1.512 28.191 29.700 0.005 0.000 1.271 55 E HN 2.015 nan 8.360 nan 0.000 0.397 56 S N -1.894 113.802 115.700 -0.007 0.000 3.521 56 S HA -0.211 4.259 4.470 0.000 0.000 0.328 56 S C 0.099 174.712 174.600 0.023 0.000 1.165 56 S CA 1.469 59.667 58.200 -0.004 0.000 0.941 56 S CB -0.955 62.258 63.200 0.022 0.000 0.951 56 S HN 0.459 nan 8.310 nan 0.000 0.539 57 T N 1.459 116.014 114.554 0.002 0.000 2.829 57 T HA 0.626 4.976 4.350 0.000 0.000 0.280 57 T C 0.209 174.916 174.700 0.011 0.000 0.999 57 T CA -0.377 61.742 62.100 0.031 0.000 0.983 57 T CB 1.855 70.736 68.868 0.022 0.000 0.968 57 T HN 0.490 nan 8.240 nan 0.000 0.446 58 V N 1.353 121.304 119.914 0.061 0.000 2.667 58 V HA 0.755 4.875 4.120 0.000 0.000 0.308 58 V C -0.198 175.946 176.094 0.084 0.000 1.048 58 V CA -1.353 60.986 62.300 0.065 0.000 0.928 58 V CB 1.616 33.476 31.823 0.063 0.000 1.004 58 V HN 0.844 nan 8.190 nan 0.000 0.444 59 R N 2.281 122.828 120.500 0.079 0.000 2.407 59 R HA 0.727 5.067 4.340 0.000 0.000 0.303 59 R C -0.070 176.265 176.300 0.058 0.000 0.981 59 R CA 0.322 56.456 56.100 0.058 0.000 0.905 59 R CB 1.491 31.817 30.300 0.042 0.000 1.099 59 R HN 1.176 nan 8.270 nan 0.000 0.459 60 T N 1.860 116.443 114.554 0.048 0.000 2.916 60 T HA 0.555 4.905 4.350 0.000 0.000 0.292 60 T C -0.004 174.712 174.700 0.028 0.000 1.064 60 T CA -1.028 61.099 62.100 0.045 0.000 1.011 60 T CB 1.086 69.990 68.868 0.059 0.000 1.152 60 T HN 0.569 nan 8.240 nan 0.000 0.510 61 I N 0.166 120.751 120.570 0.025 0.000 2.378 61 I HA 0.811 4.981 4.170 0.000 0.000 0.291 61 I C 0.242 176.371 176.117 0.020 0.000 0.992 61 I CA -1.439 59.870 61.300 0.015 0.000 1.154 61 I CB 1.252 39.256 38.000 0.006 0.000 1.315 61 I HN 0.876 nan 8.210 nan 0.000 0.448 62 A N 6.864 129.692 122.820 0.014 0.000 2.388 62 A HA 0.469 4.789 4.320 0.000 0.000 0.257 62 A C 0.825 178.417 177.584 0.014 0.000 1.095 62 A CA -0.468 51.578 52.037 0.015 0.000 0.791 62 A CB 0.587 19.593 19.000 0.009 0.000 1.029 62 A HN 0.886 nan 8.150 nan 0.000 0.489 63 M N 0.632 120.242 119.600 0.017 0.000 2.495 63 M HA 0.163 4.643 4.480 0.000 0.000 0.237 63 M C -0.048 176.260 176.300 0.013 0.000 1.131 63 M CA 0.682 55.992 55.300 0.017 0.000 1.032 63 M CB -0.905 31.709 32.600 0.022 0.000 1.513 63 M HN 0.815 nan 8.290 nan 0.000 0.488 64 D N -1.146 119.260 120.400 0.011 0.000 2.759 64 D HA 0.448 5.088 4.640 0.000 0.000 0.321 64 D C -0.572 175.731 176.300 0.005 0.000 1.267 64 D CA -0.223 53.783 54.000 0.008 0.000 0.933 64 D CB 1.187 41.992 40.800 0.009 0.000 1.431 64 D HN 0.096 nan 8.370 nan 0.000 0.504 65 G N -0.814 107.988 108.800 0.004 0.000 2.432 65 G HA2 0.332 4.292 3.960 0.000 0.000 0.239 65 G HA3 0.332 4.292 3.960 0.000 0.000 0.239 65 G C 0.869 175.770 174.900 0.001 0.000 1.291 65 G CA 0.573 45.674 45.100 0.002 0.000 0.863 65 G HN 0.403 nan 8.290 nan 0.000 0.560 66 T N -1.123 113.431 114.554 -0.001 0.000 3.086 66 T HA 0.120 4.470 4.350 0.000 0.000 0.250 66 T C 0.796 175.494 174.700 -0.003 0.000 1.074 66 T CA 0.036 62.135 62.100 -0.002 0.000 0.988 66 T CB -0.017 68.850 68.868 -0.002 0.000 0.988 66 T HN 0.652 nan 8.240 nan 0.000 0.530 67 E N 1.832 122.031 120.200 -0.003 0.000 2.413 67 E HA 0.289 4.639 4.350 0.000 0.000 0.263 67 E C 1.174 177.771 176.600 -0.004 0.000 1.015 67 E CA 0.657 57.055 56.400 -0.003 0.000 0.916 67 E CB 0.212 29.911 29.700 -0.002 0.000 0.947 67 E HN 0.436 nan 8.360 nan 0.000 0.440 68 G N 2.737 111.534 108.800 -0.005 0.000 2.217 68 G HA2 -0.274 3.686 3.960 0.000 0.000 0.246 68 G HA3 -0.274 3.686 3.960 0.000 0.000 0.246 68 G C 0.353 175.248 174.900 -0.009 0.000 0.990 68 G CA 0.193 45.289 45.100 -0.007 0.000 0.627 68 G HN 0.491 nan 8.290 nan 0.000 0.522 69 L N 1.008 122.226 121.223 -0.009 0.000 2.456 69 L HA 0.484 4.824 4.340 0.000 0.000 0.272 69 L C 0.591 177.452 176.870 -0.014 0.000 1.189 69 L CA -0.277 54.556 54.840 -0.012 0.000 0.846 69 L CB 1.161 43.213 42.059 -0.011 0.000 1.111 69 L HN 0.016 nan 8.230 nan 0.000 0.475 70 V N 3.092 122.995 119.914 -0.018 0.000 2.680 70 V HA 0.374 4.494 4.120 0.000 0.000 0.309 70 V C 0.049 176.128 176.094 -0.026 0.000 1.052 70 V CA -0.967 61.321 62.300 -0.020 0.000 0.908 70 V CB 1.953 33.764 31.823 -0.020 0.000 1.001 70 V HN 0.661 nan 8.190 nan 0.000 0.431 71 R N 2.297 122.782 120.500 -0.025 0.000 2.458 71 R HA 0.435 4.775 4.340 0.000 0.000 0.303 71 R C 1.220 177.498 176.300 -0.037 0.000 1.013 71 R CA 1.018 57.100 56.100 -0.031 0.000 1.026 71 R CB 0.105 30.389 30.300 -0.026 0.000 0.948 71 R HN 1.201 nan 8.270 nan 0.000 0.417 72 G N 1.919 110.690 108.800 -0.049 0.000 2.231 72 G HA2 -0.280 3.680 3.960 0.000 0.000 0.206 72 G HA3 -0.280 3.680 3.960 0.000 0.000 0.206 72 G C 0.155 175.018 174.900 -0.062 0.000 0.996 72 G CA -0.311 44.756 45.100 -0.056 0.000 0.645 72 G HN 0.577 nan 8.290 nan 0.000 0.498 73 Q N 1.411 121.177 119.800 -0.056 0.000 2.330 73 Q HA 0.422 4.762 4.340 0.000 0.000 0.279 73 Q C 0.352 176.307 176.000 -0.074 0.000 1.024 73 Q CA 0.201 55.972 55.803 -0.053 0.000 0.900 73 Q CB 0.315 29.028 28.738 -0.040 0.000 1.221 73 Q HN 0.448 nan 8.270 nan 0.000 0.396 74 K N 1.731 122.091 120.400 -0.067 0.000 2.326 74 K HA 0.304 4.624 4.320 0.000 0.000 0.275 74 K C -1.080 175.474 176.600 -0.077 0.000 1.018 74 K CA -0.345 55.892 56.287 -0.084 0.000 0.962 74 K CB 1.084 33.547 32.500 -0.060 0.000 0.953 74 K HN 0.304 nan 8.250 nan 0.000 0.475 75 V N 4.362 124.211 119.914 -0.108 0.000 2.623 75 V HA 0.301 4.421 4.120 0.000 0.000 0.304 75 V C -0.626 175.468 176.094 -0.001 0.000 1.054 75 V CA -0.885 61.381 62.300 -0.057 0.000 0.882 75 V CB 1.506 33.284 31.823 -0.075 0.000 1.002 75 V HN 0.589 nan 8.190 nan 0.000 0.424 76 L N 3.213 124.470 121.223 0.057 0.000 2.309 76 L HA 0.542 4.882 4.340 0.000 0.000 0.282 76 L C -0.172 176.785 176.870 0.145 0.000 1.036 76 L CA -0.538 54.363 54.840 0.101 0.000 0.806 76 L CB 1.619 43.709 42.059 0.051 0.000 1.220 76 L HN 0.590 nan 8.230 nan 0.000 0.429 77 D N 0.964 121.473 120.400 0.183 0.000 2.343 77 D HA 0.030 4.670 4.640 0.000 0.000 0.255 77 D C 1.058 177.383 176.300 0.042 0.000 1.187 77 D CA -0.073 53.984 54.000 0.096 0.000 0.875 77 D CB 1.479 42.290 40.800 0.018 0.000 1.136 77 D HN 0.537 nan 8.370 nan 0.000 0.469 78 S N 2.620 118.333 115.700 0.023 0.000 2.489 78 S HA 0.127 4.597 4.470 0.000 0.000 0.228 78 S C 1.689 176.283 174.600 -0.010 0.000 0.995 78 S CA 0.546 58.747 58.200 0.003 0.000 0.934 78 S CB -0.133 63.065 63.200 -0.003 0.000 0.771 78 S HN 0.925 nan 8.310 nan 0.000 0.522 79 G N 0.216 109.008 108.800 -0.014 0.000 2.175 79 G HA2 0.128 4.088 3.960 0.000 0.000 0.244 79 G HA3 0.128 4.088 3.960 0.000 0.000 0.244 79 G C 0.119 175.008 174.900 -0.018 0.000 0.982 79 G CA -0.188 44.899 45.100 -0.021 0.000 0.641 79 G HN 1.594 nan 8.290 nan 0.000 0.527 80 A N -0.990 121.822 122.820 -0.012 0.000 2.610 80 A HA 0.893 5.213 4.320 0.000 0.000 0.291 80 A C -3.027 174.564 177.584 0.012 0.000 1.086 80 A CA -0.705 51.330 52.037 -0.002 0.000 0.677 80 A CB 1.132 20.130 19.000 -0.002 0.000 1.278 80 A HN 0.097 nan 8.150 nan 0.000 0.414 81 P HA 0.332 nan 4.420 nan 0.000 0.274 81 P C -0.295 177.050 177.300 0.075 0.000 1.260 81 P CA -0.270 62.878 63.100 0.079 0.000 0.793 81 P CB 0.206 31.996 31.700 0.150 0.000 1.048 82 I N 0.860 121.488 120.570 0.097 0.000 2.919 82 I HA -0.120 4.050 4.170 0.000 0.000 0.299 82 I C 1.086 177.231 176.117 0.047 0.000 1.221 82 I CA 1.087 62.422 61.300 0.058 0.000 1.424 82 I CB -0.278 37.754 38.000 0.053 0.000 1.358 82 I HN 0.140 nan 8.210 nan 0.000 0.551 83 R N 7.206 127.726 120.500 0.033 0.000 2.562 83 R HA 0.727 5.067 4.340 0.000 0.000 0.298 83 R C -0.751 175.604 176.300 0.092 0.000 0.961 83 R CA -0.775 55.357 56.100 0.053 0.000 0.881 83 R CB 1.954 32.271 30.300 0.029 0.000 1.159 83 R HN 0.581 nan 8.270 nan 0.000 0.450 84 I N -1.130 119.520 120.570 0.133 0.000 2.892 84 I HA 0.650 4.820 4.170 0.000 0.000 0.306 84 I C -2.667 173.555 176.117 0.175 0.000 1.078 84 I CA -3.359 58.028 61.300 0.146 0.000 1.032 84 I CB 2.193 40.218 38.000 0.042 0.000 1.229 84 I HN 0.306 nan 8.210 nan 0.000 0.435 85 P HA 0.199 nan 4.420 nan 0.000 0.268 85 P C -0.616 176.495 177.300 -0.315 0.000 1.204 85 P CA -0.144 62.793 63.100 -0.272 0.000 0.768 85 P CB 0.889 32.464 31.700 -0.210 0.000 0.842 86 V N -0.090 119.522 119.914 -0.504 0.000 3.155 86 V HA 1.017 5.137 4.120 0.000 0.000 0.313 86 V C 0.094 175.612 176.094 -0.961 0.000 1.162 86 V CA -0.266 61.633 62.300 -0.668 0.000 1.048 86 V CB 1.237 32.686 31.823 -0.624 0.000 1.092 86 V HN 0.944 nan 8.190 nan 0.000 0.447 87 G N 1.046 108.970 108.800 -1.459 0.000 2.592 87 G HA2 -0.000 3.960 3.960 0.000 0.000 0.684 87 G HA3 -0.000 3.960 3.960 0.000 0.000 0.684 87 G C -2.265 172.421 174.900 -0.356 0.000 1.291 87 G CA -0.104 44.296 45.100 -1.166 0.000 0.891 87 G HN 0.734 nan 8.290 nan 0.000 0.544 88 P HA -0.092 nan 4.420 nan 0.000 0.217 88 P C 1.637 178.931 177.300 -0.011 0.000 1.148 88 P CA 2.004 65.142 63.100 0.063 0.000 0.834 88 P CB 0.046 31.783 31.700 0.062 0.000 0.783 89 E N -0.771 119.387 120.200 -0.070 0.000 2.511 89 E HA -0.074 4.276 4.350 0.000 0.000 0.196 89 E C 1.249 177.818 176.600 -0.052 0.000 1.066 89 E CA 1.264 57.627 56.400 -0.062 0.000 0.871 89 E CB -1.486 28.165 29.700 -0.081 0.000 0.863 89 E HN 0.353 nan 8.360 nan 0.000 0.520 90 T N -0.789 113.736 114.554 -0.048 0.000 3.055 90 T HA 0.065 4.415 4.350 0.000 0.000 0.265 90 T C 1.179 175.908 174.700 0.048 0.000 1.111 90 T CA -0.083 62.013 62.100 -0.006 0.000 1.118 90 T CB -0.372 68.487 68.868 -0.014 0.000 0.909 90 T HN 0.046 nan 8.240 nan 0.000 0.501 91 L N 2.000 123.245 121.223 0.036 0.000 2.477 91 L HA 0.471 4.811 4.340 0.000 0.000 0.272 91 L C 1.651 178.536 176.870 0.026 0.000 1.157 91 L CA 0.739 55.579 54.840 -0.000 0.000 0.889 91 L CB 0.217 42.208 42.059 -0.115 0.000 1.158 91 L HN 0.537 nan 8.230 nan 0.000 0.473 92 G N 1.937 110.772 108.800 0.058 0.000 2.195 92 G HA2 -0.200 3.760 3.960 0.000 0.000 0.246 92 G HA3 -0.200 3.760 3.960 0.000 0.000 0.246 92 G C 0.352 175.324 174.900 0.120 0.000 0.984 92 G CA -0.472 44.678 45.100 0.083 0.000 0.633 92 G HN 0.456 nan 8.290 nan 0.000 0.525 93 R N -0.006 120.547 120.500 0.088 0.000 2.643 93 R HA 0.765 5.105 4.340 0.000 0.000 0.272 93 R C 0.288 176.622 176.300 0.057 0.000 0.995 93 R CA -0.882 55.257 56.100 0.064 0.000 1.032 93 R CB 0.785 31.103 30.300 0.031 0.000 1.126 93 R HN 0.341 nan 8.270 nan 0.000 0.505 94 I N 1.832 122.397 120.570 -0.009 0.000 2.378 94 I HA 0.420 4.590 4.170 0.000 0.000 0.291 94 I C 0.166 176.290 176.117 0.012 0.000 0.992 94 I CA -0.393 60.904 61.300 -0.005 0.000 1.154 94 I CB 1.433 39.338 38.000 -0.157 0.000 1.315 94 I HN 0.203 nan 8.210 nan 0.000 0.448 95 M N 5.539 125.173 119.600 0.056 0.000 2.598 95 M HA 0.395 4.875 4.480 0.000 0.000 0.317 95 M C -0.114 176.224 176.300 0.064 0.000 1.179 95 M CA -0.521 54.805 55.300 0.043 0.000 0.936 95 M CB 2.434 35.053 32.600 0.032 0.000 1.713 95 M HN 0.697 nan 8.290 nan 0.000 0.460 96 N N -0.116 118.611 118.700 0.046 0.000 2.566 96 N HA 0.341 5.081 4.740 0.000 0.000 0.299 96 N C 0.449 175.980 175.510 0.035 0.000 1.277 96 N CA -0.965 52.116 53.050 0.050 0.000 0.965 96 N CB 0.812 39.322 38.487 0.039 0.000 1.142 96 N HN 0.318 nan 8.380 nan 0.000 0.596 97 V N -0.008 119.924 119.914 0.030 0.000 2.380 97 V HA -0.242 3.878 4.120 0.000 0.000 0.251 97 V C 2.010 178.112 176.094 0.014 0.000 1.063 97 V CA 1.844 64.154 62.300 0.017 0.000 1.055 97 V CB -1.138 30.695 31.823 0.018 0.000 0.657 97 V HN 0.723 nan 8.190 nan 0.000 0.455 98 I N -1.829 118.753 120.570 0.020 0.000 3.861 98 I HA 0.586 4.756 4.170 0.000 0.000 0.329 98 I C 1.336 177.471 176.117 0.031 0.000 1.321 98 I CA 0.650 61.963 61.300 0.022 0.000 1.126 98 I CB -0.173 37.840 38.000 0.021 0.000 1.018 98 I HN 0.301 nan 8.210 nan 0.000 0.407 99 G N 1.188 110.007 108.800 0.031 0.000 2.157 99 G HA2 -0.248 3.712 3.960 0.000 0.000 0.248 99 G HA3 -0.248 3.712 3.960 0.000 0.000 0.248 99 G C -0.122 174.805 174.900 0.045 0.000 0.979 99 G CA -0.031 45.094 45.100 0.041 0.000 0.650 99 G HN 0.642 nan 8.290 nan 0.000 0.529 100 E N 1.833 122.053 120.200 0.034 0.000 2.354 100 E HA 0.361 4.711 4.350 0.000 0.000 0.269 100 E C -2.153 174.459 176.600 0.020 0.000 1.036 100 E CA -1.661 54.756 56.400 0.029 0.000 0.876 100 E CB 1.118 30.830 29.700 0.020 0.000 1.009 100 E HN 0.216 nan 8.360 nan 0.000 0.416 101 P HA 0.013 nan 4.420 nan 0.000 0.271 101 P C 0.051 177.344 177.300 -0.012 0.000 1.220 101 P CA 0.403 63.503 63.100 0.001 0.000 0.768 101 P CB 0.301 32.003 31.700 0.003 0.000 0.848 102 I N -0.390 120.161 120.570 -0.032 0.000 3.833 102 I HA 0.249 4.419 4.170 0.000 0.000 0.328 102 I C 0.148 176.201 176.117 -0.106 0.000 1.554 102 I CA -0.280 60.988 61.300 -0.053 0.000 1.116 102 I CB -0.032 37.943 38.000 -0.042 0.000 1.182 102 I HN 0.040 nan 8.210 nan 0.000 0.459 103 D N 0.374 120.711 120.400 -0.106 0.000 2.395 103 D HA 0.018 4.658 4.640 0.000 0.000 0.213 103 D C 0.433 176.707 176.300 -0.044 0.000 1.110 103 D CA -0.175 53.739 54.000 -0.142 0.000 0.835 103 D CB -0.154 40.542 40.800 -0.173 0.000 0.965 103 D HN 0.447 nan 8.370 nan 0.000 0.505 104 E N -0.113 120.072 120.200 -0.025 0.000 2.586 104 E HA -0.260 4.090 4.350 0.000 0.000 0.259 104 E C 0.195 176.803 176.600 0.013 0.000 1.107 104 E CA 0.289 56.689 56.400 -0.001 0.000 0.754 104 E CB -1.211 28.492 29.700 0.005 0.000 1.335 104 E HN 0.437 nan 8.360 nan 0.000 0.411 105 R N -0.011 120.497 120.500 0.014 0.000 2.586 105 R HA 0.283 4.623 4.340 0.000 0.000 0.336 105 R C 0.866 177.176 176.300 0.017 0.000 1.060 105 R CA 0.325 56.438 56.100 0.022 0.000 1.079 105 R CB 1.099 31.419 30.300 0.035 0.000 1.317 105 R HN 0.315 nan 8.270 nan 0.000 0.568 106 G N 2.008 110.816 108.800 0.013 0.000 2.725 106 G HA2 -0.227 3.733 3.960 0.000 0.000 0.220 106 G HA3 -0.227 3.733 3.960 0.000 0.000 0.220 106 G C -2.548 172.360 174.900 0.013 0.000 1.357 106 G CA -1.242 43.865 45.100 0.013 0.000 0.866 106 G HN 0.042 nan 8.290 nan 0.000 0.548 107 P HA 0.311 nan 4.420 nan 0.000 0.267 107 P C 0.529 177.838 177.300 0.015 0.000 1.200 107 P CA -0.366 62.747 63.100 0.023 0.000 0.772 107 P CB 0.323 32.040 31.700 0.029 0.000 0.855 108 I N 2.644 123.223 120.570 0.015 0.000 2.372 108 I HA 0.026 4.196 4.170 0.000 0.000 0.298 108 I C 0.915 177.017 176.117 -0.025 0.000 1.137 108 I CA 0.238 61.530 61.300 -0.013 0.000 1.314 108 I CB -0.763 37.220 38.000 -0.028 0.000 1.444 108 I HN 0.308 nan 8.210 nan 0.000 0.541 109 K N 3.733 124.116 120.400 -0.028 0.000 2.989 109 K HA 0.052 4.372 4.320 0.000 0.000 0.264 109 K C 0.590 177.146 176.600 -0.073 0.000 1.228 109 K CA 0.062 56.333 56.287 -0.027 0.000 1.186 109 K CB -0.154 32.338 32.500 -0.013 0.000 1.409 109 K HN 0.494 nan 8.250 nan 0.000 0.271 110 T N -0.058 114.411 114.554 -0.141 0.000 2.943 110 T HA 0.267 4.617 4.350 0.000 0.000 0.284 110 T C 0.347 174.880 174.700 -0.280 0.000 1.015 110 T CA -0.708 61.230 62.100 -0.271 0.000 1.042 110 T CB 0.764 69.353 68.868 -0.465 0.000 1.055 110 T HN 0.229 nan 8.240 nan 0.000 0.500 111 K N 2.553 122.800 120.400 -0.256 0.000 2.564 111 K HA 0.178 4.498 4.320 0.000 0.000 0.205 111 K C -0.018 176.481 176.600 -0.169 0.000 1.053 111 K CA -0.256 55.968 56.287 -0.104 0.000 1.072 111 K CB 0.629 33.133 32.500 0.006 0.000 0.822 111 K HN 0.616 nan 8.250 nan 0.000 0.497 112 Q N 0.475 119.974 119.800 -0.501 0.000 2.337 112 Q HA 0.495 4.835 4.340 0.000 0.000 0.270 112 Q C -1.160 174.416 176.000 -0.707 0.000 1.043 112 Q CA -0.715 54.860 55.803 -0.379 0.000 0.794 112 Q CB 1.301 29.877 28.738 -0.270 0.000 1.281 112 Q HN -0.110 nan 8.270 nan 0.000 0.446 113 F N 0.466 120.367 119.950 -0.082 0.000 2.603 113 F HA 0.861 5.388 4.527 0.000 0.000 0.317 113 F C -0.464 175.303 175.800 -0.055 0.000 1.066 113 F CA -0.878 57.075 58.000 -0.078 0.000 0.941 113 F CB 2.548 41.518 39.000 -0.050 0.000 1.291 113 F HN 0.809 nan 8.300 nan 0.000 0.472 114 A N 0.880 123.778 122.820 0.129 0.000 2.486 114 A HA 0.833 5.153 4.320 0.000 0.000 0.300 114 A C -1.138 176.483 177.584 0.062 0.000 1.048 114 A CA -0.709 51.370 52.037 0.071 0.000 0.696 114 A CB 1.028 20.042 19.000 0.024 0.000 1.278 114 A HN 1.116 nan 8.150 nan 0.000 0.405 115 A N 1.242 124.095 122.820 0.054 0.000 2.462 115 A HA 0.456 4.776 4.320 0.000 0.000 0.243 115 A C 1.089 178.685 177.584 0.019 0.000 1.076 115 A CA 0.270 52.337 52.037 0.051 0.000 0.773 115 A CB -0.385 18.656 19.000 0.069 0.000 1.010 115 A HN 1.718 nan 8.150 nan 0.000 0.493 116 I N -0.823 119.735 120.570 -0.020 0.000 3.251 116 I HA 0.079 4.249 4.170 0.000 0.000 0.277 116 I C 0.144 176.116 176.117 -0.242 0.000 1.268 116 I CA 0.307 61.527 61.300 -0.133 0.000 1.449 116 I CB -0.317 37.575 38.000 -0.179 0.000 1.083 116 I HN 0.490 nan 8.210 nan 0.000 0.464 117 H N 2.453 121.528 119.070 0.008 0.000 2.467 117 H HA 0.810 5.366 4.556 0.000 0.000 0.326 117 H C -0.502 174.828 175.328 0.002 0.000 1.094 117 H CA -0.213 55.839 56.048 0.006 0.000 1.253 117 H CB 1.800 31.567 29.762 0.009 0.000 1.439 117 H HN 0.394 nan 8.280 nan 0.000 0.479 118 A N 2.897 125.778 122.820 0.102 0.000 2.612 118 A HA 0.305 4.625 4.320 0.000 0.000 0.293 118 A C -0.644 176.965 177.584 0.043 0.000 1.075 118 A CA -0.921 51.150 52.037 0.055 0.000 0.680 118 A CB 1.607 20.622 19.000 0.025 0.000 1.279 118 A HN 0.553 nan 8.150 nan 0.000 0.411 119 E N 0.789 121.007 120.200 0.031 0.000 2.373 119 E HA 0.438 4.788 4.350 0.000 0.000 0.267 119 E C 0.533 177.142 176.600 0.016 0.000 1.032 119 E CA 0.302 56.717 56.400 0.024 0.000 0.889 119 E CB 1.365 31.078 29.700 0.021 0.000 0.984 119 E HN 0.835 nan 8.360 nan 0.000 0.425 120 A N 4.541 127.371 122.820 0.016 0.000 2.407 120 A HA 0.354 4.674 4.320 0.000 0.000 0.248 120 A C -2.042 175.552 177.584 0.016 0.000 1.082 120 A CA -1.121 50.922 52.037 0.011 0.000 0.785 120 A CB -0.361 18.650 19.000 0.017 0.000 1.020 120 A HN 0.315 nan 8.150 nan 0.000 0.489 121 P HA 0.095 nan 4.420 nan 0.000 0.266 121 P C -0.073 177.244 177.300 0.028 0.000 1.195 121 P CA 0.098 63.203 63.100 0.009 0.000 0.768 121 P CB 0.441 32.137 31.700 -0.007 0.000 0.838 122 E N 1.453 121.674 120.200 0.035 0.000 2.391 122 E HA 0.011 4.361 4.350 0.000 0.000 0.255 122 E C 0.863 177.522 176.600 0.098 0.000 1.187 122 E CA -0.282 56.162 56.400 0.074 0.000 0.941 122 E CB 0.143 29.885 29.700 0.070 0.000 1.010 122 E HN 0.400 nan 8.360 nan 0.000 0.458 123 F N 1.848 121.798 119.950 0.001 0.000 2.120 123 F HA -0.256 4.271 4.527 0.000 0.000 0.300 123 F C 1.957 177.756 175.800 -0.002 0.000 1.095 123 F CA 2.012 60.012 58.000 -0.000 0.000 1.249 123 F CB -0.310 38.690 39.000 0.000 0.000 0.995 123 F HN 0.271 nan 8.300 nan 0.000 0.480 124 V N -1.943 117.992 119.914 0.036 0.000 2.867 124 V HA -0.207 3.913 4.120 0.000 0.000 0.260 124 V C 1.487 177.511 176.094 -0.117 0.000 1.099 124 V CA 2.019 64.281 62.300 -0.063 0.000 1.122 124 V CB -1.127 30.716 31.823 0.033 0.000 0.708 124 V HN 0.473 nan 8.190 nan 0.000 0.490 125 E N -0.180 119.962 120.200 -0.098 0.000 2.479 125 E HA 0.202 4.552 4.350 0.000 0.000 0.193 125 E C 0.613 177.145 176.600 -0.112 0.000 1.049 125 E CA -0.278 56.074 56.400 -0.080 0.000 0.870 125 E CB 0.085 29.761 29.700 -0.040 0.000 0.944 125 E HN 0.483 nan 8.360 nan 0.000 0.492 126 M N 0.748 120.233 119.600 -0.191 0.000 2.242 126 M HA 0.135 4.615 4.480 0.000 0.000 0.344 126 M C 0.343 176.549 176.300 -0.157 0.000 1.140 126 M CA 0.151 55.339 55.300 -0.186 0.000 1.160 126 M CB 1.230 33.662 32.600 -0.280 0.000 1.491 126 M HN -0.172 nan 8.290 nan 0.000 0.459 127 S N 0.924 116.559 115.700 -0.108 0.000 2.472 127 S HA 0.566 5.036 4.470 0.000 0.000 0.303 127 S C 0.525 175.082 174.600 -0.072 0.000 1.099 127 S CA -0.869 57.281 58.200 -0.083 0.000 1.077 127 S CB 0.962 64.127 63.200 -0.057 0.000 1.031 127 S HN 0.534 nan 8.310 nan 0.000 0.487 128 V N 1.144 121.020 119.914 -0.063 0.000 3.578 128 V HA 0.426 4.546 4.120 0.000 0.000 0.290 128 V C 0.338 176.415 176.094 -0.029 0.000 1.376 128 V CA -0.287 61.986 62.300 -0.046 0.000 1.083 128 V CB -0.486 31.310 31.823 -0.046 0.000 0.911 128 V HN 0.727 nan 8.190 nan 0.000 0.433 129 E N 3.745 123.929 120.200 -0.028 0.000 2.415 129 E HA 0.201 4.551 4.350 0.000 0.000 0.263 129 E C -0.210 176.384 176.600 -0.010 0.000 0.995 129 E CA 0.457 56.847 56.400 -0.017 0.000 0.915 129 E CB 0.539 30.229 29.700 -0.017 0.000 0.951 129 E HN 0.870 nan 8.360 nan 0.000 0.449 130 Q N 1.259 121.057 119.800 -0.003 0.000 2.350 130 Q HA 0.395 4.735 4.340 0.000 0.000 0.255 130 Q C -0.864 175.143 176.000 0.012 0.000 0.951 130 Q CA -0.697 55.109 55.803 0.005 0.000 0.751 130 Q CB 1.385 30.127 28.738 0.006 0.000 1.296 130 Q HN 0.527 nan 8.270 nan 0.000 0.453 131 E N 2.940 123.151 120.200 0.019 0.000 2.256 131 E HA 0.528 4.878 4.350 0.000 0.000 0.267 131 E C -0.862 175.763 176.600 0.043 0.000 0.892 131 E CA -1.083 55.334 56.400 0.027 0.000 0.775 131 E CB 2.195 31.909 29.700 0.024 0.000 1.207 131 E HN 0.658 nan 8.360 nan 0.000 0.420 132 I N 2.537 123.137 120.570 0.050 0.000 2.815 132 I HA -0.035 4.136 4.170 0.000 0.000 0.291 132 I C -0.811 175.351 176.117 0.075 0.000 1.209 132 I CA -0.231 61.110 61.300 0.068 0.000 1.431 132 I CB 0.472 38.518 38.000 0.076 0.000 1.351 132 I HN 0.562 nan 8.210 nan 0.000 0.585 133 L N 8.924 130.205 121.223 0.097 0.000 2.301 133 L HA 0.383 4.723 4.340 0.000 0.000 0.278 133 L C -0.725 176.198 176.870 0.088 0.000 1.022 133 L CA -0.363 54.538 54.840 0.102 0.000 0.854 133 L CB 1.166 43.305 42.059 0.133 0.000 1.226 133 L HN 0.315 nan 8.230 nan 0.000 0.429 134 V N 4.300 124.252 119.914 0.064 0.000 2.521 134 V HA 0.158 4.278 4.120 0.000 0.000 0.286 134 V C 1.484 177.594 176.094 0.027 0.000 1.034 134 V CA 0.692 63.014 62.300 0.037 0.000 1.045 134 V CB 0.846 32.691 31.823 0.038 0.000 0.974 134 V HN 0.936 nan 8.190 nan 0.000 0.480 135 T N 0.025 114.569 114.554 -0.016 0.000 3.015 135 T HA 0.251 4.601 4.350 0.000 0.000 0.250 135 T C 1.453 176.132 174.700 -0.034 0.000 1.057 135 T CA 0.712 62.799 62.100 -0.021 0.000 1.066 135 T CB 0.389 69.208 68.868 -0.083 0.000 0.959 135 T HN 1.524 nan 8.240 nan 0.000 0.488 136 G N 1.647 110.431 108.800 -0.027 0.000 2.148 136 G HA2 -0.207 3.753 3.960 0.000 0.000 0.254 136 G HA3 -0.207 3.753 3.960 0.000 0.000 0.254 136 G C -0.025 174.866 174.900 -0.017 0.000 0.981 136 G CA 0.226 45.315 45.100 -0.018 0.000 0.670 136 G HN 0.676 nan 8.290 nan 0.000 0.528 137 I N 0.493 121.048 120.570 -0.026 0.000 2.312 137 I HA 0.272 4.442 4.170 0.000 0.000 0.290 137 I C 1.556 177.683 176.117 0.016 0.000 1.008 137 I CA -0.823 60.497 61.300 0.033 0.000 1.226 137 I CB 1.356 39.383 38.000 0.046 0.000 1.371 137 I HN -0.025 nan 8.210 nan 0.000 0.468 138 K N 3.612 124.031 120.400 0.032 0.000 2.001 138 K HA -0.184 4.136 4.320 0.000 0.000 0.214 138 K C 1.850 178.441 176.600 -0.016 0.000 1.050 138 K CA 1.447 57.748 56.287 0.024 0.000 0.934 138 K CB -0.133 32.375 32.500 0.012 0.000 0.718 138 K HN 0.564 nan 8.250 nan 0.000 0.443 139 V N 1.056 120.965 119.914 -0.008 0.000 2.332 139 V HA -0.225 3.895 4.120 0.000 0.000 0.248 139 V C 2.055 178.112 176.094 -0.062 0.000 1.055 139 V CA 1.661 63.929 62.300 -0.052 0.000 1.038 139 V CB -0.041 31.783 31.823 0.001 0.000 0.651 139 V HN 0.147 nan 8.190 nan 0.000 0.450 140 V N 0.350 120.229 119.914 -0.060 0.000 2.270 140 V HA -0.182 3.938 4.120 0.000 0.000 0.245 140 V C 2.372 178.379 176.094 -0.145 0.000 1.043 140 V CA 2.412 64.621 62.300 -0.152 0.000 1.014 140 V CB -0.782 30.843 31.823 -0.330 0.000 0.645 140 V HN 0.578 nan 8.190 nan 0.000 0.447 141 D N -0.177 120.157 120.400 -0.109 0.000 2.144 141 D HA -0.153 4.487 4.640 0.000 0.000 0.199 141 D C 1.915 178.262 176.300 0.077 0.000 0.984 141 D CA 1.175 55.158 54.000 -0.027 0.000 0.834 141 D CB -0.258 40.527 40.800 -0.026 0.000 0.955 141 D HN 0.329 nan 8.370 nan 0.000 0.465 142 L N -0.007 121.211 121.223 -0.010 0.000 2.005 142 L HA -0.057 4.283 4.340 0.000 0.000 0.207 142 L C 2.057 178.984 176.870 0.094 0.000 1.072 142 L CA 1.524 56.358 54.840 -0.011 0.000 0.744 142 L CB -0.205 41.690 42.059 -0.273 0.000 0.895 142 L HN -0.012 nan 8.230 nan 0.000 0.433 143 L N -1.376 119.833 121.223 -0.023 0.000 2.425 143 L HA 0.320 4.660 4.340 0.000 0.000 0.215 143 L C 0.778 177.647 176.870 -0.002 0.000 1.065 143 L CA 0.489 55.306 54.840 -0.038 0.000 0.842 143 L CB -0.116 41.895 42.059 -0.081 0.000 1.033 143 L HN 0.247 nan 8.230 nan 0.000 0.474 144 A N 0.201 123.029 122.820 0.014 0.000 3.409 144 A HA 0.498 4.818 4.320 0.000 0.000 0.282 144 A C -2.665 174.951 177.584 0.053 0.000 1.064 144 A CA -0.846 51.222 52.037 0.052 0.000 0.889 144 A CB -0.187 18.866 19.000 0.088 0.000 1.251 144 A HN -0.130 nan 8.150 nan 0.000 0.538 145 P HA 0.173 nan 4.420 nan 0.000 0.271 145 P C -0.475 176.922 177.300 0.162 0.000 1.218 145 P CA 0.389 63.496 63.100 0.012 0.000 0.780 145 P CB 0.208 31.936 31.700 0.047 0.000 0.901 146 Y N 0.256 120.588 120.300 0.054 0.000 2.301 146 Y HA 0.444 4.994 4.550 0.000 0.000 0.328 146 Y C 1.035 176.952 175.900 0.029 0.000 1.242 146 Y CA -1.315 56.809 58.100 0.040 0.000 1.323 146 Y CB 0.811 39.294 38.460 0.037 0.000 1.266 146 Y HN 0.327 nan 8.280 nan 0.000 0.527 147 A N 3.083 126.011 122.820 0.180 0.000 2.330 147 A HA 0.398 4.718 4.320 0.000 0.000 0.327 147 A C -0.800 176.818 177.584 0.057 0.000 1.155 147 A CA -1.096 50.997 52.037 0.093 0.000 0.803 147 A CB 0.629 19.663 19.000 0.058 0.000 1.208 147 A HN 0.765 nan 8.150 nan 0.000 0.477 148 K N 1.008 121.437 120.400 0.048 0.000 2.436 148 K HA 0.325 4.645 4.320 0.000 0.000 0.282 148 K C 1.120 177.720 176.600 0.001 0.000 1.044 148 K CA 1.238 57.541 56.287 0.026 0.000 1.028 148 K CB 0.243 32.764 32.500 0.035 0.000 0.919 148 K HN 1.497 nan 8.250 nan 0.000 0.474 149 G N 2.109 110.895 108.800 -0.023 0.000 2.162 149 G HA2 -0.244 3.716 3.960 0.000 0.000 0.260 149 G HA3 -0.244 3.716 3.960 0.000 0.000 0.260 149 G C 0.420 175.293 174.900 -0.044 0.000 0.976 149 G CA -0.052 45.027 45.100 -0.036 0.000 0.655 149 G HN 0.852 nan 8.290 nan 0.000 0.533 150 G N -0.758 108.015 108.800 -0.045 0.000 2.511 150 G HA2 0.610 4.570 3.960 0.000 0.000 0.316 150 G HA3 0.610 4.570 3.960 0.000 0.000 0.316 150 G C -0.263 174.588 174.900 -0.082 0.000 1.210 150 G CA -0.788 44.286 45.100 -0.043 0.000 0.969 150 G HN 0.324 nan 8.290 nan 0.000 0.492 151 K N 0.304 120.665 120.400 -0.066 0.000 2.263 151 K HA 0.400 4.720 4.320 0.000 0.000 0.272 151 K C -0.841 175.693 176.600 -0.109 0.000 1.033 151 K CA -0.145 56.088 56.287 -0.091 0.000 0.884 151 K CB 1.693 34.166 32.500 -0.045 0.000 1.107 151 K HN 0.253 nan 8.250 nan 0.000 0.460 152 I N 1.606 122.054 120.570 -0.202 0.000 2.378 152 I HA 0.328 4.498 4.170 0.000 0.000 0.291 152 I C 0.399 176.382 176.117 -0.223 0.000 0.992 152 I CA -0.583 60.542 61.300 -0.291 0.000 1.154 152 I CB 2.032 39.655 38.000 -0.629 0.000 1.315 152 I HN 0.593 nan 8.210 nan 0.000 0.448 153 G N 6.794 115.518 108.800 -0.127 0.000 2.530 153 G HA2 0.722 4.682 3.960 0.000 0.000 0.316 153 G HA3 0.722 4.682 3.960 0.000 0.000 0.316 153 G C -0.969 173.881 174.900 -0.083 0.000 1.298 153 G CA -0.542 44.449 45.100 -0.182 0.000 0.948 153 G HN 0.460 nan 8.290 nan 0.000 0.486 154 L N 2.235 123.355 121.223 -0.171 0.000 2.301 154 L HA 0.446 4.786 4.340 0.000 0.000 0.278 154 L C -0.849 175.965 176.870 -0.093 0.000 1.022 154 L CA -0.611 54.231 54.840 0.003 0.000 0.854 154 L CB 0.814 42.908 42.059 0.059 0.000 1.226 154 L HN 0.313 nan 8.230 nan 0.000 0.429 155 F N 1.286 121.242 119.950 0.010 0.000 2.385 155 F HA 0.785 5.312 4.527 0.000 0.000 0.336 155 F C 0.994 176.792 175.800 -0.002 0.000 1.100 155 F CA -0.340 57.643 58.000 -0.028 0.000 1.116 155 F CB 1.960 40.934 39.000 -0.043 0.000 1.166 155 F HN 0.446 nan 8.300 nan 0.000 0.511 156 G N 0.622 109.494 108.800 0.120 0.000 2.596 156 G HA2 0.468 4.428 3.960 0.000 0.000 0.296 156 G HA3 0.468 4.428 3.960 0.000 0.000 0.296 156 G C -0.697 174.132 174.900 -0.120 0.000 1.513 156 G CA -0.407 44.717 45.100 0.040 0.000 0.851 156 G HN 0.917 nan 8.290 nan 0.000 0.548 157 G N -0.349 108.364 108.800 -0.145 0.000 2.683 157 G HA2 0.631 4.591 3.960 0.000 0.000 0.260 157 G HA3 0.631 4.591 3.960 0.000 0.000 0.260 157 G C 0.837 175.658 174.900 -0.132 0.000 1.238 157 G CA 0.455 45.389 45.100 -0.276 0.000 0.934 157 G HN 1.764 nan 8.290 nan 0.000 0.534 158 A N -1.145 121.651 122.820 -0.040 0.000 2.524 158 A HA 0.518 4.838 4.320 0.000 0.000 0.250 158 A C 1.546 179.191 177.584 0.101 0.000 1.078 158 A CA 1.094 53.245 52.037 0.191 0.000 0.761 158 A CB -0.560 18.604 19.000 0.274 0.000 1.012 158 A HN 2.579 nan 8.150 nan 0.000 0.500 159 G N 0.772 109.633 108.800 0.101 0.000 2.143 159 G HA2 -0.180 3.780 3.960 0.000 0.000 0.248 159 G HA3 -0.180 3.780 3.960 0.000 0.000 0.248 159 G C 0.751 175.689 174.900 0.063 0.000 0.991 159 G CA 0.847 45.984 45.100 0.061 0.000 0.689 159 G HN 2.191 nan 8.290 nan 0.000 0.522 160 V N -3.389 116.571 119.914 0.077 0.000 3.590 160 V HA 0.663 4.783 4.120 0.000 0.000 0.265 160 V C 1.638 177.818 176.094 0.142 0.000 1.239 160 V CA 1.452 63.814 62.300 0.104 0.000 1.117 160 V CB 0.424 32.288 31.823 0.068 0.000 0.818 160 V HN 2.110 nan 8.190 nan 0.000 0.451 161 G N 0.295 109.159 108.800 0.106 0.000 2.174 161 G HA2 -0.150 3.810 3.960 0.000 0.000 0.140 161 G HA3 -0.150 3.810 3.960 0.000 0.000 0.140 161 G C 0.540 175.521 174.900 0.135 0.000 1.031 161 G CA 0.160 45.325 45.100 0.107 0.000 0.728 161 G HN 0.413 nan 8.290 nan 0.000 0.496 162 K N -0.051 120.425 120.400 0.126 0.000 2.026 162 K HA -0.048 4.272 4.320 0.000 0.000 0.208 162 K C 2.483 179.172 176.600 0.148 0.000 1.048 162 K CA 1.916 58.284 56.287 0.135 0.000 0.929 162 K CB -0.225 32.343 32.500 0.114 0.000 0.713 162 K HN 0.265 nan 8.250 nan 0.000 0.439 163 T N 1.003 115.640 114.554 0.139 0.000 2.812 163 T HA -0.067 4.283 4.350 0.000 0.000 0.264 163 T C 2.042 176.833 174.700 0.150 0.000 1.042 163 T CA 0.860 63.051 62.100 0.152 0.000 1.140 163 T CB -0.093 68.862 68.868 0.144 0.000 0.870 163 T HN -0.068 nan 8.240 nan 0.000 0.445 164 V N 1.804 121.804 119.914 0.144 0.000 2.332 164 V HA -0.131 3.989 4.120 0.000 0.000 0.248 164 V C 2.399 178.645 176.094 0.253 0.000 1.055 164 V CA 1.373 63.788 62.300 0.191 0.000 1.038 164 V CB -0.647 31.266 31.823 0.150 0.000 0.651 164 V HN 0.339 nan 8.190 nan 0.000 0.450 165 L N -0.142 121.248 121.223 0.277 0.000 2.046 165 L HA -0.115 4.226 4.340 0.000 0.000 0.208 165 L C 2.128 179.100 176.870 0.169 0.000 1.077 165 L CA 1.826 56.846 54.840 0.301 0.000 0.747 165 L CB -0.578 41.673 42.059 0.320 0.000 0.896 165 L HN 0.268 nan 8.230 nan 0.000 0.432 166 I N -1.288 119.383 120.570 0.168 0.000 2.394 166 I HA -0.278 3.892 4.170 0.000 0.000 0.251 166 I C 2.030 178.169 176.117 0.037 0.000 1.136 166 I CA 0.890 62.283 61.300 0.155 0.000 1.425 166 I CB 0.054 38.181 38.000 0.213 0.000 1.079 166 I HN 0.300 nan 8.210 nan 0.000 0.425 167 M N -0.262 119.360 119.600 0.036 0.000 2.229 167 M HA -0.175 4.305 4.480 0.000 0.000 0.264 167 M C 2.100 178.355 176.300 -0.075 0.000 1.063 167 M CA 1.456 56.733 55.300 -0.039 0.000 1.114 167 M CB -1.292 31.317 32.600 0.015 0.000 1.387 167 M HN 0.172 nan 8.290 nan 0.000 0.420 168 E N 0.699 120.853 120.200 -0.076 0.000 2.107 168 E HA -0.058 4.292 4.350 0.000 0.000 0.191 168 E C 2.050 178.544 176.600 -0.178 0.000 0.982 168 E CA 0.931 57.197 56.400 -0.224 0.000 0.809 168 E CB -0.213 29.111 29.700 -0.627 0.000 0.756 168 E HN 0.462 nan 8.360 nan 0.000 0.459 169 L N 0.014 121.194 121.223 -0.072 0.000 2.046 169 L HA -0.157 4.183 4.340 0.000 0.000 0.208 169 L C 2.431 179.312 176.870 0.017 0.000 1.077 169 L CA 1.068 55.937 54.840 0.048 0.000 0.747 169 L CB -0.421 41.776 42.059 0.231 0.000 0.896 169 L HN 0.213 nan 8.230 nan 0.000 0.432 170 I N 0.144 120.614 120.570 -0.166 0.000 2.208 170 I HA -0.354 3.816 4.170 0.000 0.000 0.245 170 I C 2.322 178.366 176.117 -0.122 0.000 1.097 170 I CA 1.765 62.884 61.300 -0.302 0.000 1.363 170 I CB -0.367 37.335 38.000 -0.497 0.000 1.051 170 I HN 0.362 nan 8.210 nan 0.000 0.413 171 N N 0.880 119.515 118.700 -0.107 0.000 2.084 171 N HA -0.189 4.551 4.740 0.000 0.000 0.190 171 N C 1.530 177.015 175.510 -0.043 0.000 1.030 171 N CA 1.691 54.697 53.050 -0.073 0.000 0.849 171 N CB 0.002 38.438 38.487 -0.085 0.000 1.012 171 N HN 0.215 nan 8.380 nan 0.000 0.423 172 N N -1.084 117.589 118.700 -0.045 0.000 2.415 172 N HA 0.029 4.770 4.740 0.000 0.000 0.176 172 N C 1.019 176.546 175.510 0.028 0.000 1.042 172 N CA 0.587 53.624 53.050 -0.021 0.000 0.902 172 N CB 0.402 38.858 38.487 -0.052 0.000 0.986 172 N HN 0.162 nan 8.380 nan 0.000 0.447 173 V N -0.549 119.403 119.914 0.063 0.000 3.090 173 V HA 0.311 4.431 4.120 0.000 0.000 0.237 173 V C 1.912 178.088 176.094 0.136 0.000 1.209 173 V CA 0.897 63.262 62.300 0.110 0.000 1.209 173 V CB -0.135 31.777 31.823 0.149 0.000 0.971 173 V HN 0.155 nan 8.190 nan 0.000 0.477 174 A N -0.117 122.787 122.820 0.140 0.000 1.975 174 A HA -0.007 4.313 4.320 0.000 0.000 0.215 174 A C 2.127 179.791 177.584 0.133 0.000 1.170 174 A CA 1.046 53.180 52.037 0.163 0.000 0.656 174 A CB -0.242 18.864 19.000 0.177 0.000 0.821 174 A HN 0.402 nan 8.150 nan 0.000 0.449 175 K N -0.238 120.202 120.400 0.068 0.000 2.147 175 K HA -0.049 4.271 4.320 0.000 0.000 0.205 175 K C 1.353 177.988 176.600 0.058 0.000 1.049 175 K CA 1.153 57.467 56.287 0.045 0.000 0.936 175 K CB -0.151 32.354 32.500 0.010 0.000 0.722 175 K HN 0.413 nan 8.250 nan 0.000 0.446 176 A N 0.576 123.441 122.820 0.076 0.000 2.545 176 A HA 0.045 4.365 4.320 0.000 0.000 0.277 176 A C -0.391 177.247 177.584 0.090 0.000 1.301 176 A CA -0.309 51.765 52.037 0.062 0.000 0.935 176 A CB -0.286 18.739 19.000 0.043 0.000 1.093 176 A HN 0.208 nan 8.150 nan 0.000 0.519 177 H N -0.748 118.334 119.070 0.020 0.000 2.722 177 H HA 0.436 4.992 4.556 0.000 0.000 0.328 177 H C 1.430 176.743 175.328 -0.025 0.000 1.067 177 H CA 0.758 56.812 56.048 0.010 0.000 1.447 177 H CB 1.328 31.114 29.762 0.041 0.000 1.469 177 H HN 0.088 nan 8.280 nan 0.000 0.544 178 G N 2.803 111.278 108.800 -0.542 0.000 2.623 178 G HA2 0.091 4.051 3.960 0.000 0.000 0.214 178 G HA3 0.091 4.051 3.960 0.000 0.000 0.214 178 G C 0.844 175.431 174.900 -0.521 0.000 1.138 178 G CA 0.414 45.264 45.100 -0.417 0.000 0.794 178 G HN 0.769 nan 8.290 nan 0.000 0.535 179 G N -1.024 107.270 108.800 -0.843 0.000 2.849 179 G HA2 0.545 4.505 3.960 0.000 0.000 0.174 179 G HA3 0.545 4.505 3.960 0.000 0.000 0.174 179 G C -1.017 173.718 174.900 -0.275 0.000 1.370 179 G CA -1.014 43.743 45.100 -0.570 0.000 1.040 179 G HN 0.172 nan 8.290 nan 0.000 0.582 180 Y N -0.632 119.680 120.300 0.020 0.000 2.457 180 Y HA 0.579 5.129 4.550 0.000 0.000 0.333 180 Y C 0.496 176.400 175.900 0.007 0.000 1.119 180 Y CA -0.704 57.329 58.100 -0.112 0.000 1.143 180 Y CB 2.336 40.450 38.460 -0.575 0.000 1.230 180 Y HN 0.276 nan 8.280 nan 0.000 0.469 181 S N 1.299 117.117 115.700 0.197 0.000 2.536 181 S HA 0.693 5.163 4.470 0.000 0.000 0.298 181 S C -1.150 173.563 174.600 0.188 0.000 1.083 181 S CA -0.781 57.533 58.200 0.189 0.000 0.995 181 S CB 1.884 65.253 63.200 0.282 0.000 1.058 181 S HN 0.327 nan 8.310 nan 0.000 0.488 182 V N 2.870 122.910 119.914 0.210 0.000 2.531 182 V HA 0.498 4.618 4.120 0.000 0.000 0.301 182 V C -1.216 175.036 176.094 0.264 0.000 1.034 182 V CA -0.662 61.764 62.300 0.210 0.000 0.865 182 V CB 1.341 33.259 31.823 0.159 0.000 0.995 182 V HN 0.854 nan 8.190 nan 0.000 0.424 183 F N 4.019 124.039 119.950 0.117 0.000 2.426 183 F HA 0.782 5.309 4.527 0.000 0.000 0.348 183 F C 0.322 176.053 175.800 -0.116 0.000 1.124 183 F CA -0.485 57.554 58.000 0.065 0.000 1.008 183 F CB 1.277 40.309 39.000 0.053 0.000 1.139 183 F HN 0.560 nan 8.300 nan 0.000 0.452 184 A N 4.657 127.148 122.820 -0.548 0.000 2.256 184 A HA 0.610 4.930 4.320 0.000 0.000 0.317 184 A C 0.018 177.236 177.584 -0.609 0.000 1.318 184 A CA -0.365 51.399 52.037 -0.456 0.000 0.894 184 A CB 0.180 18.993 19.000 -0.311 0.000 1.165 184 A HN 1.002 nan 8.150 nan 0.000 0.525 185 G N 1.479 109.917 108.800 -0.602 0.000 2.391 185 G HA2 0.494 4.454 3.960 0.000 0.000 0.305 185 G HA3 0.494 4.454 3.960 0.000 0.000 0.305 185 G C -0.587 174.247 174.900 -0.110 0.000 1.072 185 G CA -0.132 44.769 45.100 -0.331 0.000 1.016 185 G HN 0.711 nan 8.290 nan 0.000 0.418 186 V N 2.692 122.575 119.914 -0.051 0.000 2.326 186 V HA 0.591 4.711 4.120 0.000 0.000 0.281 186 V C 1.107 177.223 176.094 0.038 0.000 1.015 186 V CA 0.195 62.488 62.300 -0.012 0.000 0.823 186 V CB 0.829 32.628 31.823 -0.040 0.000 1.009 186 V HN 1.298 nan 8.190 nan 0.000 0.436 187 G N 3.312 112.143 108.800 0.052 0.000 2.258 187 G HA2 -0.196 3.764 3.960 0.000 0.000 0.274 187 G HA3 -0.196 3.764 3.960 0.000 0.000 0.274 187 G C 0.197 175.135 174.900 0.063 0.000 1.021 187 G CA 0.557 45.685 45.100 0.047 0.000 0.798 187 G HN 0.590 nan 8.290 nan 0.000 0.507 188 E N -0.714 119.549 120.200 0.104 0.000 2.819 188 E HA 0.477 4.827 4.350 0.000 0.000 0.241 188 E C 0.884 177.557 176.600 0.121 0.000 0.987 188 E CA -0.902 55.568 56.400 0.117 0.000 1.024 188 E CB 0.515 30.310 29.700 0.157 0.000 1.448 188 E HN 0.397 nan 8.360 nan 0.000 0.484 189 R N 0.250 120.824 120.500 0.123 0.000 2.298 189 R HA 0.232 4.572 4.340 0.000 0.000 0.310 189 R C 1.116 177.472 176.300 0.094 0.000 1.068 189 R CA 0.019 56.175 56.100 0.093 0.000 0.957 189 R CB 0.382 30.730 30.300 0.080 0.000 1.003 189 R HN 0.387 nan 8.270 nan 0.000 0.454 190 T N 2.027 116.615 114.554 0.056 0.000 2.759 190 T HA -0.189 4.161 4.350 0.000 0.000 0.269 190 T C 1.754 176.445 174.700 -0.015 0.000 1.042 190 T CA 1.257 63.362 62.100 0.007 0.000 1.140 190 T CB -0.137 68.727 68.868 -0.006 0.000 0.864 190 T HN 0.541 nan 8.240 nan 0.000 0.455 191 R N 1.189 121.698 120.500 0.016 0.000 2.105 191 R HA -0.154 4.186 4.340 0.000 0.000 0.239 191 R C 2.103 178.419 176.300 0.027 0.000 1.135 191 R CA 1.746 57.858 56.100 0.020 0.000 0.967 191 R CB -0.136 30.183 30.300 0.033 0.000 0.861 191 R HN 0.519 nan 8.270 nan 0.000 0.442 192 E N -1.032 119.198 120.200 0.050 0.000 2.150 192 E HA -0.092 4.258 4.350 0.000 0.000 0.193 192 E C 1.889 178.506 176.600 0.028 0.000 0.985 192 E CA 0.911 57.350 56.400 0.064 0.000 0.814 192 E CB -0.118 29.651 29.700 0.116 0.000 0.752 192 E HN 0.589 nan 8.360 nan 0.000 0.466 193 G N 1.368 110.151 108.800 -0.029 0.000 2.418 193 G HA2 -0.335 3.625 3.960 0.000 0.000 0.217 193 G HA3 -0.335 3.625 3.960 0.000 0.000 0.217 193 G C 1.432 176.190 174.900 -0.235 0.000 1.158 193 G CA 1.047 45.951 45.100 -0.327 0.000 0.771 193 G HN 0.204 nan 8.290 nan 0.000 0.545 194 N N 0.399 119.040 118.700 -0.098 0.000 2.142 194 N HA -0.084 4.656 4.740 0.000 0.000 0.186 194 N C 1.736 177.350 175.510 0.173 0.000 1.023 194 N CA 1.447 54.540 53.050 0.072 0.000 0.852 194 N CB -0.084 38.453 38.487 0.082 0.000 0.998 194 N HN 0.095 nan 8.380 nan 0.000 0.424 195 D N 0.231 120.678 120.400 0.078 0.000 2.103 195 D HA -0.179 4.461 4.640 0.000 0.000 0.190 195 D C 1.872 178.197 176.300 0.042 0.000 0.997 195 D CA 0.837 54.873 54.000 0.060 0.000 0.833 195 D CB -0.613 40.206 40.800 0.032 0.000 0.961 195 D HN 0.232 nan 8.370 nan 0.000 0.447 196 L N -0.057 121.160 121.223 -0.009 0.000 2.012 196 L HA -0.194 4.146 4.340 0.000 0.000 0.210 196 L C 2.213 179.072 176.870 -0.018 0.000 1.073 196 L CA 1.590 56.388 54.840 -0.071 0.000 0.748 196 L CB -1.092 40.849 42.059 -0.196 0.000 0.891 196 L HN 0.081 nan 8.230 nan 0.000 0.431 197 Y N -0.067 120.147 120.300 -0.143 0.000 2.128 197 Y HA -0.298 4.252 4.550 0.000 0.000 0.284 197 Y C 2.787 178.548 175.900 -0.231 0.000 1.154 197 Y CA 2.332 60.309 58.100 -0.204 0.000 1.149 197 Y CB -0.543 37.739 38.460 -0.298 0.000 0.976 197 Y HN 0.408 nan 8.280 nan 0.000 0.505 198 H N -0.414 118.583 119.070 -0.122 0.000 2.462 198 H HA -0.053 4.503 4.556 0.000 0.000 0.292 198 H C 2.009 177.243 175.328 -0.157 0.000 1.049 198 H CA 1.443 57.368 56.048 -0.205 0.000 1.334 198 H CB 0.036 29.735 29.762 -0.105 0.000 1.404 198 H HN 0.557 nan 8.280 nan 0.000 0.544 199 E N 0.419 120.610 120.200 -0.014 0.000 2.106 199 E HA -0.114 4.236 4.350 0.000 0.000 0.192 199 E C 2.114 178.668 176.600 -0.077 0.000 0.984 199 E CA 0.737 57.111 56.400 -0.044 0.000 0.806 199 E CB 0.062 29.735 29.700 -0.045 0.000 0.750 199 E HN 0.362 nan 8.360 nan 0.000 0.458 200 M N 0.015 119.551 119.600 -0.106 0.000 2.254 200 M HA -0.074 4.407 4.480 0.000 0.000 0.265 200 M C 2.084 178.309 176.300 -0.126 0.000 1.066 200 M CA 0.988 56.228 55.300 -0.100 0.000 1.123 200 M CB 0.013 32.567 32.600 -0.076 0.000 1.388 200 M HN 0.122 nan 8.290 nan 0.000 0.425 201 I N -0.166 120.278 120.570 -0.210 0.000 2.252 201 I HA -0.249 3.921 4.170 0.000 0.000 0.245 201 I C 2.408 178.457 176.117 -0.113 0.000 1.102 201 I CA 1.154 62.331 61.300 -0.205 0.000 1.385 201 I CB -0.267 37.534 38.000 -0.332 0.000 1.064 201 I HN 0.250 nan 8.210 nan 0.000 0.414 202 E N 1.143 121.290 120.200 -0.089 0.000 2.077 202 E HA -0.210 4.140 4.350 0.000 0.000 0.193 202 E C 2.194 178.766 176.600 -0.047 0.000 0.989 202 E CA 1.800 58.167 56.400 -0.055 0.000 0.800 202 E CB -0.091 29.584 29.700 -0.042 0.000 0.746 202 E HN 0.455 nan 8.360 nan 0.000 0.452 203 S N -1.465 114.205 115.700 -0.050 0.000 2.522 203 S HA 0.118 4.588 4.470 0.000 0.000 0.227 203 S C 1.745 176.326 174.600 -0.031 0.000 0.986 203 S CA 0.699 58.876 58.200 -0.037 0.000 0.929 203 S CB -0.065 63.112 63.200 -0.038 0.000 0.769 203 S HN 0.577 nan 8.310 nan 0.000 0.529 204 G N 0.216 108.993 108.800 -0.039 0.000 2.176 204 G HA2 -0.297 3.663 3.960 0.000 0.000 0.253 204 G HA3 -0.297 3.663 3.960 0.000 0.000 0.253 204 G C 0.741 175.631 174.900 -0.017 0.000 0.979 204 G CA 0.263 45.346 45.100 -0.029 0.000 0.641 204 G HN 0.603 nan 8.290 nan 0.000 0.530 205 V N 0.366 120.270 119.914 -0.017 0.000 2.407 205 V HA 0.104 4.224 4.120 0.000 0.000 0.248 205 V C 1.630 177.729 176.094 0.009 0.000 1.055 205 V CA 1.880 64.183 62.300 0.006 0.000 1.049 205 V CB -0.159 31.668 31.823 0.006 0.000 0.662 205 V HN 0.508 nan 8.190 nan 0.000 0.455 206 I N 0.919 121.476 120.570 -0.021 0.000 2.377 206 I HA 0.333 4.503 4.170 0.000 0.000 0.293 206 I C -0.265 175.826 176.117 -0.044 0.000 0.987 206 I CA -0.141 61.145 61.300 -0.023 0.000 1.185 206 I CB 1.376 39.349 38.000 -0.045 0.000 1.341 206 I HN 0.127 nan 8.210 nan 0.000 0.455 207 N N 6.720 125.408 118.700 -0.019 0.000 2.399 207 N HA 0.350 5.090 4.740 0.000 0.000 0.280 207 N C 0.213 175.715 175.510 -0.013 0.000 1.008 207 N CA -0.418 52.618 53.050 -0.022 0.000 0.894 207 N CB 2.029 40.511 38.487 -0.008 0.000 1.273 207 N HN 0.590 nan 8.380 nan 0.000 0.486 208 L N 2.147 123.356 121.223 -0.024 0.000 2.492 208 L HA 0.105 4.445 4.340 0.000 0.000 0.223 208 L C 1.447 178.318 176.870 0.002 0.000 1.132 208 L CA 0.626 55.462 54.840 -0.007 0.000 0.850 208 L CB 0.066 42.115 42.059 -0.017 0.000 0.966 208 L HN 0.305 nan 8.230 nan 0.000 0.454 209 K N -0.437 119.962 120.400 -0.001 0.000 2.391 209 K HA 0.146 4.466 4.320 0.000 0.000 0.197 209 K C 0.026 176.629 176.600 0.005 0.000 1.087 209 K CA 0.268 56.556 56.287 0.002 0.000 1.012 209 K CB 0.514 33.013 32.500 -0.001 0.000 0.925 209 K HN 0.372 nan 8.250 nan 0.000 0.547 210 D N -1.446 118.957 120.400 0.005 0.000 2.758 210 D HA 0.389 5.029 4.640 0.000 0.000 0.262 210 D C -0.192 176.116 176.300 0.013 0.000 1.113 210 D CA -0.784 53.221 54.000 0.009 0.000 1.114 210 D CB 0.408 41.213 40.800 0.008 0.000 1.363 210 D HN -0.176 nan 8.370 nan 0.000 0.617 211 A N -0.896 121.935 122.820 0.017 0.000 2.545 211 A HA 0.300 4.620 4.320 0.000 0.000 0.277 211 A C 1.083 178.687 177.584 0.033 0.000 1.301 211 A CA 0.373 52.424 52.037 0.022 0.000 0.935 211 A CB -0.902 18.112 19.000 0.024 0.000 1.093 211 A HN 0.579 nan 8.150 nan 0.000 0.519 212 T N -2.696 111.876 114.554 0.030 0.000 3.129 212 T HA 0.125 4.475 4.350 0.000 0.000 0.251 212 T C 0.748 175.478 174.700 0.050 0.000 1.117 212 T CA 0.351 62.475 62.100 0.040 0.000 1.034 212 T CB -0.385 68.499 68.868 0.026 0.000 0.968 212 T HN 0.159 nan 8.240 nan 0.000 0.526 213 S N 1.852 117.575 115.700 0.038 0.000 2.558 213 S HA 0.155 4.626 4.470 0.000 0.000 0.293 213 S C 0.879 175.518 174.600 0.065 0.000 1.292 213 S CA -0.202 58.022 58.200 0.039 0.000 1.063 213 S CB 0.725 63.941 63.200 0.027 0.000 0.831 213 S HN 0.496 nan 8.310 nan 0.000 0.499 214 K N 0.962 121.414 120.400 0.088 0.000 2.402 214 K HA 0.243 4.563 4.320 0.000 0.000 0.204 214 K C -0.762 175.917 176.600 0.131 0.000 1.056 214 K CA 0.117 56.502 56.287 0.164 0.000 1.069 214 K CB 0.836 33.430 32.500 0.156 0.000 0.888 214 K HN 0.324 nan 8.250 nan 0.000 0.546 215 V N 1.372 121.335 119.914 0.083 0.000 2.588 215 V HA 0.524 4.644 4.120 0.000 0.000 0.304 215 V C -0.769 175.383 176.094 0.098 0.000 1.042 215 V CA -1.208 61.156 62.300 0.106 0.000 0.877 215 V CB 1.581 33.480 31.823 0.127 0.000 0.996 215 V HN 0.115 nan 8.190 nan 0.000 0.425 216 A N 5.928 128.821 122.820 0.123 0.000 2.292 216 A HA 0.880 5.200 4.320 0.000 0.000 0.319 216 A C -0.769 176.923 177.584 0.180 0.000 1.206 216 A CA -0.453 51.674 52.037 0.150 0.000 0.835 216 A CB 0.564 19.690 19.000 0.209 0.000 1.164 216 A HN 0.805 nan 8.150 nan 0.000 0.505 217 L N 2.726 124.056 121.223 0.178 0.000 2.329 217 L HA 0.666 5.006 4.340 0.000 0.000 0.279 217 L C -0.924 176.050 176.870 0.172 0.000 1.014 217 L CA -0.884 54.093 54.840 0.227 0.000 0.814 217 L CB 1.898 44.153 42.059 0.326 0.000 1.257 217 L HN 0.409 nan 8.230 nan 0.000 0.424 218 V N 2.997 122.960 119.914 0.082 0.000 2.569 218 V HA 0.459 4.579 4.120 0.000 0.000 0.301 218 V C -1.337 174.700 176.094 -0.094 0.000 1.044 218 V CA -0.623 61.697 62.300 0.034 0.000 0.874 218 V CB 1.887 33.699 31.823 -0.018 0.000 1.002 218 V HN 0.454 nan 8.190 nan 0.000 0.424 219 Y N 1.607 121.935 120.300 0.046 0.000 2.442 219 Y HA 0.766 5.316 4.550 0.000 0.000 0.344 219 Y C 0.526 176.443 175.900 0.027 0.000 0.976 219 Y CA -0.674 57.457 58.100 0.051 0.000 1.040 219 Y CB 2.854 41.339 38.460 0.042 0.000 1.228 219 Y HN 0.703 nan 8.280 nan 0.000 0.451 220 G N 3.650 112.552 108.800 0.170 0.000 3.025 220 G HA2 0.328 4.288 3.960 0.000 0.000 0.305 220 G HA3 0.328 4.288 3.960 0.000 0.000 0.305 220 G C -1.024 173.940 174.900 0.107 0.000 1.568 220 G CA -0.557 44.608 45.100 0.108 0.000 0.916 220 G HN 0.310 nan 8.290 nan 0.000 0.502 221 Q N 1.103 120.981 119.800 0.129 0.000 2.179 221 Q HA 0.303 4.644 4.340 0.000 0.000 0.174 221 Q C 2.000 178.041 176.000 0.068 0.000 1.044 221 Q CA -0.698 55.178 55.803 0.122 0.000 1.105 221 Q CB 0.599 29.423 28.738 0.145 0.000 1.213 221 Q HN 0.722 nan 8.270 nan 0.000 0.574 222 M N -0.189 119.445 119.600 0.058 0.000 2.659 222 M HA 0.038 4.518 4.480 0.000 0.000 0.243 222 M C 0.596 176.911 176.300 0.024 0.000 1.111 222 M CA 0.785 56.104 55.300 0.032 0.000 1.070 222 M CB -0.281 32.334 32.600 0.026 0.000 1.525 222 M HN 0.309 nan 8.290 nan 0.000 0.517 223 N N 0.266 118.983 118.700 0.029 0.000 2.467 223 N HA 0.021 4.761 4.740 0.000 0.000 0.184 223 N C -0.258 175.263 175.510 0.017 0.000 1.106 223 N CA 0.378 53.440 53.050 0.020 0.000 0.892 223 N CB -0.174 38.324 38.487 0.019 0.000 0.969 223 N HN 0.410 nan 8.380 nan 0.000 0.454 224 E N 1.857 122.069 120.200 0.020 0.000 2.283 224 E HA 0.359 4.709 4.350 0.000 0.000 0.271 224 E C -2.179 174.425 176.600 0.006 0.000 1.031 224 E CA -1.989 54.421 56.400 0.016 0.000 0.868 224 E CB 1.064 30.779 29.700 0.024 0.000 1.094 224 E HN 0.208 nan 8.360 nan 0.000 0.401 225 P HA 0.112 nan 4.420 nan 0.000 0.274 225 P C -2.012 175.281 177.300 -0.012 0.000 1.246 225 P CA -1.191 61.906 63.100 -0.005 0.000 0.795 225 P CB 0.344 32.042 31.700 -0.003 0.000 1.006 226 P HA -0.151 nan 4.420 nan 0.000 0.218 226 P C 1.669 178.945 177.300 -0.041 0.000 1.149 226 P CA 1.723 64.798 63.100 -0.041 0.000 0.817 226 P CB -0.646 31.023 31.700 -0.052 0.000 0.785 227 G N 0.826 109.611 108.800 -0.025 0.000 2.446 227 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 227 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 227 G C 1.831 176.728 174.900 -0.004 0.000 1.168 227 G CA 1.231 46.323 45.100 -0.014 0.000 0.771 227 G HN 0.368 nan 8.290 nan 0.000 0.551 228 A N 0.690 123.511 122.820 0.001 0.000 1.877 228 A HA -0.008 4.312 4.320 0.000 0.000 0.216 228 A C 2.438 180.027 177.584 0.010 0.000 1.186 228 A CA 1.654 53.697 52.037 0.010 0.000 0.620 228 A CB -0.410 18.599 19.000 0.016 0.000 0.822 228 A HN 0.351 nan 8.150 nan 0.000 0.443 229 R N -0.657 119.842 120.500 -0.002 0.000 2.152 229 R HA -0.047 4.293 4.340 0.000 0.000 0.232 229 R C 2.292 178.589 176.300 -0.006 0.000 1.117 229 R CA 1.022 57.120 56.100 -0.005 0.000 0.981 229 R CB -0.352 29.934 30.300 -0.024 0.000 0.870 229 R HN 0.526 nan 8.270 nan 0.000 0.451 230 A N 0.513 123.312 122.820 -0.036 0.000 2.014 230 A HA -0.043 4.277 4.320 0.000 0.000 0.218 230 A C 1.825 179.450 177.584 0.070 0.000 1.163 230 A CA 0.921 52.914 52.037 -0.072 0.000 0.652 230 A CB 0.091 19.010 19.000 -0.135 0.000 0.808 230 A HN 0.055 nan 8.150 nan 0.000 0.449 231 R N -1.580 118.953 120.500 0.055 0.000 2.316 231 R HA 0.145 4.485 4.340 0.000 0.000 0.201 231 R C 1.806 178.117 176.300 0.018 0.000 0.888 231 R CA 0.814 56.943 56.100 0.049 0.000 1.041 231 R CB -1.101 29.213 30.300 0.023 0.000 1.115 231 R HN 0.345 nan 8.270 nan 0.000 0.559 232 V N 1.724 121.649 119.914 0.019 0.000 2.469 232 V HA -0.222 3.898 4.120 0.000 0.000 0.251 232 V C 2.150 178.221 176.094 -0.039 0.000 1.064 232 V CA 2.100 64.396 62.300 -0.007 0.000 1.066 232 V CB -0.410 31.415 31.823 0.003 0.000 0.667 232 V HN 0.304 nan 8.190 nan 0.000 0.461 233 A N -0.314 122.490 122.820 -0.026 0.000 1.902 233 A HA -0.147 4.173 4.320 0.000 0.000 0.217 233 A C 2.126 179.633 177.584 -0.128 0.000 1.181 233 A CA 2.040 54.018 52.037 -0.098 0.000 0.623 233 A CB -0.516 18.405 19.000 -0.130 0.000 0.818 233 A HN 0.580 nan 8.150 nan 0.000 0.443 234 L N -0.775 120.384 121.223 -0.106 0.000 2.083 234 L HA -0.154 4.186 4.340 0.000 0.000 0.209 234 L C 2.760 179.558 176.870 -0.121 0.000 1.083 234 L CA 1.727 56.482 54.840 -0.142 0.000 0.752 234 L CB -1.215 40.729 42.059 -0.192 0.000 0.899 234 L HN 0.347 nan 8.230 nan 0.000 0.433 235 T N -0.038 114.460 114.554 -0.092 0.000 2.684 235 T HA -0.149 4.201 4.350 0.000 0.000 0.267 235 T C 1.876 176.539 174.700 -0.062 0.000 1.036 235 T CA 1.512 63.572 62.100 -0.067 0.000 1.148 235 T CB -0.625 68.219 68.868 -0.040 0.000 0.863 235 T HN 0.559 nan 8.240 nan 0.000 0.436 236 G N 1.960 110.716 108.800 -0.072 0.000 2.418 236 G HA2 -0.106 3.854 3.960 0.000 0.000 0.217 236 G HA3 -0.106 3.854 3.960 0.000 0.000 0.217 236 G C 1.572 176.435 174.900 -0.062 0.000 1.158 236 G CA 1.140 46.199 45.100 -0.068 0.000 0.771 236 G HN 0.581 nan 8.290 nan 0.000 0.545 237 L N -0.842 120.327 121.223 -0.090 0.000 2.240 237 L HA 0.230 4.570 4.340 0.000 0.000 0.211 237 L C 2.398 179.235 176.870 -0.055 0.000 1.106 237 L CA 2.214 57.004 54.840 -0.083 0.000 0.793 237 L CB -1.098 40.887 42.059 -0.124 0.000 0.927 237 L HN -0.024 nan 8.230 nan 0.000 0.446 238 T N -0.070 114.447 114.554 -0.061 0.000 2.746 238 T HA -0.112 4.238 4.350 0.000 0.000 0.267 238 T C 2.030 176.705 174.700 -0.043 0.000 1.039 238 T CA 1.708 63.779 62.100 -0.049 0.000 1.142 238 T CB -0.443 68.391 68.868 -0.056 0.000 0.866 238 T HN 0.225 nan 8.240 nan 0.000 0.444 239 V N 1.783 121.667 119.914 -0.050 0.000 2.287 239 V HA -0.217 3.903 4.120 0.000 0.000 0.248 239 V C 2.894 178.985 176.094 -0.004 0.000 1.053 239 V CA 1.866 64.122 62.300 -0.074 0.000 1.027 239 V CB -1.207 30.612 31.823 -0.007 0.000 0.646 239 V HN 0.547 nan 8.190 nan 0.000 0.447 240 A N -0.604 122.268 122.820 0.088 0.000 1.898 240 A HA -0.237 4.083 4.320 0.000 0.000 0.216 240 A C 2.153 179.808 177.584 0.119 0.000 1.181 240 A CA 1.790 53.931 52.037 0.173 0.000 0.620 240 A CB -0.507 18.541 19.000 0.081 0.000 0.819 240 A HN 0.625 nan 8.150 nan 0.000 0.442 241 E N -1.601 118.621 120.200 0.037 0.000 2.118 241 E HA -0.248 4.102 4.350 0.000 0.000 0.195 241 E C 1.799 178.400 176.600 0.001 0.000 0.992 241 E CA 1.564 57.971 56.400 0.012 0.000 0.804 241 E CB -0.336 29.360 29.700 -0.008 0.000 0.741 241 E HN 0.824 nan 8.360 nan 0.000 0.458 242 Y N 0.356 120.568 120.300 -0.146 0.000 2.114 242 Y HA -0.249 4.301 4.550 0.000 0.000 0.284 242 Y C 1.826 177.635 175.900 -0.152 0.000 1.143 242 Y CA 1.698 59.661 58.100 -0.229 0.000 1.135 242 Y CB -0.411 37.785 38.460 -0.440 0.000 0.980 242 Y HN -0.038 nan 8.280 nan 0.000 0.499 243 F N 0.068 120.091 119.950 0.122 0.000 2.216 243 F HA -0.167 4.360 4.527 0.000 0.000 0.300 243 F C 2.768 178.566 175.800 -0.003 0.000 1.085 243 F CA 1.374 59.432 58.000 0.096 0.000 1.326 243 F CB -0.352 38.796 39.000 0.247 0.000 1.027 243 F HN -0.029 nan 8.300 nan 0.000 0.497 244 R N 0.602 121.189 120.500 0.145 0.000 2.066 244 R HA -0.155 4.185 4.340 0.000 0.000 0.232 244 R C 1.357 177.643 176.300 -0.024 0.000 1.131 244 R CA 2.092 58.225 56.100 0.055 0.000 0.955 244 R CB -0.233 30.086 30.300 0.031 0.000 0.851 244 R HN 0.170 nan 8.270 nan 0.000 0.432 245 D N -0.687 119.657 120.400 -0.092 0.000 2.301 245 D HA -0.029 4.611 4.640 0.000 0.000 0.206 245 D C 1.719 177.909 176.300 -0.185 0.000 0.979 245 D CA 0.674 54.603 54.000 -0.118 0.000 0.874 245 D CB 0.342 41.082 40.800 -0.100 0.000 0.968 245 D HN 0.302 nan 8.370 nan 0.000 0.510 246 Q N -0.115 119.467 119.800 -0.362 0.000 2.423 246 Q HA 0.095 4.436 4.340 0.000 0.000 0.231 246 Q C 1.261 177.081 176.000 -0.300 0.000 0.894 246 Q CA 0.448 55.980 55.803 -0.451 0.000 0.938 246 Q CB 0.544 28.707 28.738 -0.958 0.000 1.079 246 Q HN 0.107 nan 8.270 nan 0.000 0.552 247 E N -0.083 119.984 120.200 -0.221 0.000 2.340 247 E HA 0.077 4.427 4.350 0.000 0.000 0.194 247 E C 1.112 177.729 176.600 0.027 0.000 0.996 247 E CA 0.931 57.352 56.400 0.035 0.000 0.869 247 E CB 0.323 30.214 29.700 0.319 0.000 0.835 247 E HN 0.467 nan 8.360 nan 0.000 0.493 248 G N 0.130 108.928 108.800 -0.004 0.000 2.458 248 G HA2 -0.385 3.575 3.960 0.000 0.000 0.237 248 G HA3 -0.385 3.575 3.960 0.000 0.000 0.237 248 G C 0.500 175.407 174.900 0.011 0.000 1.113 248 G CA 0.594 45.690 45.100 -0.007 0.000 0.655 248 G HN 0.284 nan 8.290 nan 0.000 0.513 249 Q N 1.773 121.583 119.800 0.016 0.000 2.540 249 Q HA 0.436 4.776 4.340 0.000 0.000 0.256 249 Q C 0.044 176.046 176.000 0.005 0.000 1.084 249 Q CA 0.269 56.053 55.803 -0.031 0.000 0.956 249 Q CB 0.195 28.855 28.738 -0.130 0.000 1.303 249 Q HN 0.465 nan 8.270 nan 0.000 0.509 250 D N -0.037 120.356 120.400 -0.012 0.000 2.417 250 D HA 0.154 4.794 4.640 0.000 0.000 0.250 250 D C -0.936 175.465 176.300 0.169 0.000 1.166 250 D CA 0.148 54.190 54.000 0.070 0.000 0.881 250 D CB 0.469 41.327 40.800 0.097 0.000 1.164 250 D HN 0.060 nan 8.370 nan 0.000 0.467 251 V N 3.786 123.768 119.914 0.113 0.000 2.513 251 V HA 0.368 4.488 4.120 0.000 0.000 0.299 251 V C 0.189 176.246 176.094 -0.062 0.000 1.035 251 V CA -0.872 61.483 62.300 0.092 0.000 0.889 251 V CB 1.568 33.463 31.823 0.120 0.000 0.988 251 V HN 0.323 nan 8.190 nan 0.000 0.440 252 L N 5.282 126.408 121.223 -0.163 0.000 2.295 252 L HA 0.606 4.946 4.340 0.000 0.000 0.285 252 L C -0.808 175.865 176.870 -0.329 0.000 1.035 252 L CA -0.623 53.996 54.840 -0.368 0.000 0.806 252 L CB 1.586 43.364 42.059 -0.469 0.000 1.214 252 L HN 0.429 nan 8.230 nan 0.000 0.426 253 L N 4.051 124.982 121.223 -0.485 0.000 2.343 253 L HA 0.571 4.911 4.340 0.000 0.000 0.278 253 L C -1.251 175.288 176.870 -0.551 0.000 0.996 253 L CA 0.054 54.683 54.840 -0.352 0.000 0.831 253 L CB 1.081 43.009 42.059 -0.217 0.000 1.232 253 L HN 0.204 nan 8.230 nan 0.000 0.413 254 F N 5.923 125.771 119.950 -0.169 0.000 2.436 254 F HA 0.620 5.147 4.527 0.000 0.000 0.340 254 F C 0.050 175.495 175.800 -0.592 0.000 1.113 254 F CA -0.521 57.312 58.000 -0.278 0.000 1.022 254 F CB 1.382 40.333 39.000 -0.081 0.000 1.128 254 F HN 0.220 nan 8.300 nan 0.000 0.466 255 I N 2.796 123.163 120.570 -0.339 0.000 2.447 255 I HA 0.298 4.468 4.170 0.000 0.000 0.287 255 I C -1.287 174.641 176.117 -0.315 0.000 1.023 255 I CA -0.510 60.538 61.300 -0.420 0.000 1.083 255 I CB 1.882 39.711 38.000 -0.285 0.000 1.245 255 I HN 0.436 nan 8.210 nan 0.000 0.434 256 D N 6.320 126.508 120.400 -0.355 0.000 2.421 256 D HA 0.270 4.910 4.640 0.000 0.000 0.254 256 D C -1.313 174.977 176.300 -0.016 0.000 1.238 256 D CA -0.211 53.743 54.000 -0.075 0.000 0.919 256 D CB 1.062 41.939 40.800 0.128 0.000 1.152 256 D HN 0.429 nan 8.370 nan 0.000 0.552 257 N N 4.336 123.043 118.700 0.013 0.000 2.371 257 N HA 0.141 4.881 4.740 0.000 0.000 0.291 257 N C 0.502 176.040 175.510 0.046 0.000 1.053 257 N CA -0.490 52.585 53.050 0.042 0.000 0.870 257 N CB 1.618 40.182 38.487 0.129 0.000 1.503 257 N HN 0.261 nan 8.380 nan 0.000 0.485 258 I N 4.093 124.661 120.570 -0.003 0.000 2.567 258 I HA -0.084 4.086 4.170 0.000 0.000 0.257 258 I C 1.712 177.891 176.117 0.103 0.000 1.184 258 I CA 0.776 62.065 61.300 -0.017 0.000 1.451 258 I CB -0.598 37.324 38.000 -0.131 0.000 1.089 258 I HN 0.630 nan 8.210 nan 0.000 0.441 259 F N 1.516 121.486 119.950 0.033 0.000 2.154 259 F HA -0.258 4.269 4.527 0.000 0.000 0.301 259 F C 2.291 178.167 175.800 0.127 0.000 1.087 259 F CA 1.570 59.635 58.000 0.109 0.000 1.274 259 F CB -0.366 38.742 39.000 0.180 0.000 1.009 259 F HN -0.012 nan 8.300 nan 0.000 0.485 260 R N 0.012 120.501 120.500 -0.018 0.000 2.152 260 R HA -0.194 4.146 4.340 0.000 0.000 0.232 260 R C 2.187 178.401 176.300 -0.142 0.000 1.117 260 R CA 1.397 57.410 56.100 -0.146 0.000 0.981 260 R CB -1.744 28.560 30.300 0.007 0.000 0.870 260 R HN 0.524 nan 8.270 nan 0.000 0.451 261 F N 1.551 121.388 119.950 -0.189 0.000 2.102 261 F HA -0.194 4.333 4.527 0.000 0.000 0.298 261 F C 1.938 177.635 175.800 -0.172 0.000 1.105 261 F CA 1.737 59.646 58.000 -0.151 0.000 1.239 261 F CB -0.314 38.614 39.000 -0.121 0.000 0.991 261 F HN -0.120 nan 8.300 nan 0.000 0.474 262 T N 0.157 114.592 114.554 -0.199 0.000 2.857 262 T HA -0.198 4.152 4.350 0.000 0.000 0.266 262 T C 1.881 176.393 174.700 -0.313 0.000 1.048 262 T CA 1.395 63.328 62.100 -0.279 0.000 1.139 262 T CB -0.346 68.485 68.868 -0.062 0.000 0.874 262 T HN 0.448 nan 8.240 nan 0.000 0.455 263 Q N 0.755 120.224 119.800 -0.551 0.000 2.050 263 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 263 Q C 2.520 178.369 176.000 -0.252 0.000 0.980 263 Q CA 1.519 57.053 55.803 -0.447 0.000 0.840 263 Q CB -0.311 28.013 28.738 -0.691 0.000 0.898 263 Q HN 0.520 nan 8.270 nan 0.000 0.424 264 A N 0.575 123.240 122.820 -0.258 0.000 1.917 264 A HA -0.171 4.149 4.320 0.000 0.000 0.219 264 A C 2.277 179.749 177.584 -0.187 0.000 1.182 264 A CA 1.813 53.737 52.037 -0.188 0.000 0.633 264 A CB -1.432 17.464 19.000 -0.173 0.000 0.819 264 A HN 0.624 nan 8.150 nan 0.000 0.448 265 G N -0.238 108.405 108.800 -0.262 0.000 2.422 265 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 265 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 265 G C 1.940 176.770 174.900 -0.117 0.000 1.146 265 G CA 1.808 46.778 45.100 -0.217 0.000 0.769 265 G HN 0.920 nan 8.290 nan 0.000 0.547 266 S N 0.356 115.999 115.700 -0.094 0.000 2.428 266 S HA 0.012 4.482 4.470 0.000 0.000 0.230 266 S C 1.905 176.453 174.600 -0.085 0.000 1.014 266 S CA 1.293 59.451 58.200 -0.070 0.000 0.957 266 S CB -0.201 62.933 63.200 -0.111 0.000 0.784 266 S HN 0.559 nan 8.310 nan 0.000 0.499 267 E N 1.045 121.191 120.200 -0.089 0.000 2.150 267 E HA -0.076 4.274 4.350 0.000 0.000 0.193 267 E C 2.035 178.602 176.600 -0.055 0.000 0.985 267 E CA 1.565 57.923 56.400 -0.069 0.000 0.814 267 E CB -0.227 29.433 29.700 -0.066 0.000 0.752 267 E HN 0.716 nan 8.360 nan 0.000 0.466 268 V N -2.536 117.343 119.914 -0.058 0.000 3.660 268 V HA 0.129 4.249 4.120 0.000 0.000 0.276 268 V C 2.073 178.146 176.094 -0.035 0.000 1.317 268 V CA 0.599 62.874 62.300 -0.043 0.000 1.097 268 V CB 0.715 32.511 31.823 -0.044 0.000 0.863 268 V HN 0.027 nan 8.190 nan 0.000 0.438 269 S N 1.690 117.368 115.700 -0.038 0.000 2.359 269 S HA -0.194 4.276 4.470 0.000 0.000 0.224 269 S C 2.197 176.788 174.600 -0.016 0.000 1.035 269 S CA 2.287 60.472 58.200 -0.025 0.000 1.018 269 S CB -0.465 62.725 63.200 -0.017 0.000 0.876 269 S HN 0.972 nan 8.310 nan 0.000 0.448 270 A N 1.156 123.965 122.820 -0.018 0.000 1.902 270 A HA 0.054 4.374 4.320 0.000 0.000 0.217 270 A C 2.152 179.731 177.584 -0.009 0.000 1.181 270 A CA 1.394 53.424 52.037 -0.012 0.000 0.623 270 A CB -0.741 18.250 19.000 -0.015 0.000 0.818 270 A HN 0.587 nan 8.150 nan 0.000 0.443 271 L N -0.656 120.560 121.223 -0.012 0.000 2.376 271 L HA -0.017 4.323 4.340 0.000 0.000 0.219 271 L C 1.703 178.570 176.870 -0.004 0.000 1.133 271 L CA 0.362 55.197 54.840 -0.008 0.000 0.816 271 L CB -0.290 41.763 42.059 -0.010 0.000 0.933 271 L HN 0.351 nan 8.230 nan 0.000 0.449 272 L N -0.278 120.942 121.223 -0.006 0.000 2.591 272 L HA 0.152 4.492 4.340 0.000 0.000 0.228 272 L C 1.302 178.174 176.870 0.002 0.000 1.133 272 L CA 0.394 55.233 54.840 -0.002 0.000 0.880 272 L CB -0.350 41.706 42.059 -0.006 0.000 1.033 272 L HN 0.443 nan 8.230 nan 0.000 0.450 273 G N 0.860 109.660 108.800 0.001 0.000 2.160 273 G HA2 -0.278 3.682 3.960 0.000 0.000 0.244 273 G HA3 -0.278 3.682 3.960 0.000 0.000 0.244 273 G C 0.041 174.943 174.900 0.005 0.000 1.022 273 G CA -0.214 44.888 45.100 0.004 0.000 0.741 273 G HN 0.310 nan 8.290 nan 0.000 0.508 274 R N -0.542 119.961 120.500 0.004 0.000 2.368 274 R HA 0.650 4.990 4.340 0.000 0.000 0.302 274 R C 1.078 177.384 176.300 0.009 0.000 1.002 274 R CA -0.767 55.338 56.100 0.008 0.000 0.929 274 R CB 0.889 31.195 30.300 0.009 0.000 1.073 274 R HN 0.313 nan 8.270 nan 0.000 0.464 275 I N 5.615 126.193 120.570 0.012 0.000 2.683 275 I HA 0.026 4.196 4.170 0.000 0.000 0.286 275 I C -1.514 174.616 176.117 0.021 0.000 1.175 275 I CA -1.161 60.148 61.300 0.015 0.000 1.429 275 I CB 0.424 38.434 38.000 0.016 0.000 1.371 275 I HN 0.365 nan 8.210 nan 0.000 0.569 276 P HA 0.079 nan 4.420 nan 0.000 0.274 276 P C -0.376 176.953 177.300 0.048 0.000 1.231 276 P CA -0.289 62.830 63.100 0.032 0.000 0.790 276 P CB 1.205 32.917 31.700 0.020 0.000 0.951 277 S N 0.677 116.422 115.700 0.074 0.000 2.607 277 S HA 0.564 5.034 4.470 0.000 0.000 0.272 277 S C 0.160 174.823 174.600 0.105 0.000 1.166 277 S CA -0.396 57.856 58.200 0.088 0.000 1.021 277 S CB -0.015 63.248 63.200 0.106 0.000 1.113 277 S HN 0.618 nan 8.310 nan 0.000 0.531 278 A N 0.224 123.114 122.820 0.117 0.000 2.483 278 A HA 0.424 4.744 4.320 0.000 0.000 0.238 278 A C 0.855 178.554 177.584 0.192 0.000 1.070 278 A CA 0.264 52.375 52.037 0.124 0.000 0.770 278 A CB -0.640 18.425 19.000 0.109 0.000 1.008 278 A HN 1.646 nan 8.150 nan 0.000 0.497 279 V N 0.865 120.864 119.914 0.140 0.000 4.868 279 V HA -0.280 3.840 4.120 0.000 0.000 0.274 279 V C 1.689 177.776 176.094 -0.012 0.000 0.450 279 V CA 1.496 63.876 62.300 0.132 0.000 0.773 279 V CB -2.578 29.407 31.823 0.270 0.000 0.704 279 V HN 2.923 nan 8.190 nan 0.000 1.326 280 G N -2.401 106.387 108.800 -0.020 0.000 2.184 280 G HA2 -0.350 3.610 3.960 0.000 0.000 0.264 280 G HA3 -0.350 3.610 3.960 0.000 0.000 0.264 280 G C -0.114 174.693 174.900 -0.154 0.000 0.975 280 G CA 0.484 45.516 45.100 -0.113 0.000 0.642 280 G HN 0.926 nan 8.290 nan 0.000 0.536 281 Y N 1.684 122.007 120.300 0.040 0.000 2.300 281 Y HA 0.416 4.966 4.550 0.000 0.000 0.328 281 Y C 1.395 177.303 175.900 0.013 0.000 1.270 281 Y CA -0.229 57.889 58.100 0.029 0.000 1.352 281 Y CB 0.557 39.047 38.460 0.050 0.000 1.286 281 Y HN 0.371 nan 8.280 nan 0.000 0.536 282 Q N 2.729 122.640 119.800 0.186 0.000 2.315 282 Q HA 0.006 4.346 4.340 0.000 0.000 0.289 282 Q C -2.377 173.680 176.000 0.095 0.000 1.044 282 Q CA -1.308 54.552 55.803 0.094 0.000 0.920 282 Q CB 0.601 29.369 28.738 0.050 0.000 1.214 282 Q HN 0.430 nan 8.270 nan 0.000 0.392 283 P HA -0.126 nan 4.420 nan 0.000 0.221 283 P C 0.985 178.313 177.300 0.047 0.000 1.145 283 P CA 1.860 64.993 63.100 0.054 0.000 0.795 283 P CB 0.010 31.733 31.700 0.038 0.000 0.775 284 T N -4.329 110.250 114.554 0.041 0.000 3.144 284 T HA 0.127 4.477 4.350 0.000 0.000 0.249 284 T C 1.505 176.232 174.700 0.044 0.000 1.089 284 T CA -0.256 61.866 62.100 0.037 0.000 0.989 284 T CB -1.025 67.857 68.868 0.024 0.000 0.992 284 T HN -0.003 nan 8.240 nan 0.000 0.540 285 L N 0.925 122.176 121.223 0.046 0.000 2.021 285 L HA -0.167 4.173 4.340 0.000 0.000 0.215 285 L C 2.771 179.681 176.870 0.067 0.000 1.074 285 L CA 2.132 56.995 54.840 0.039 0.000 0.760 285 L CB -0.670 41.385 42.059 -0.007 0.000 0.889 285 L HN 0.424 nan 8.230 nan 0.000 0.433 286 A N -0.985 121.875 122.820 0.067 0.000 1.898 286 A HA -0.158 4.162 4.320 0.000 0.000 0.214 286 A C 2.314 179.964 177.584 0.110 0.000 1.183 286 A CA 1.773 53.867 52.037 0.095 0.000 0.622 286 A CB -1.043 18.005 19.000 0.080 0.000 0.824 286 A HN 0.619 nan 8.150 nan 0.000 0.444 287 T N -1.902 112.703 114.554 0.085 0.000 2.857 287 T HA -0.129 4.221 4.350 0.000 0.000 0.266 287 T C 1.336 176.094 174.700 0.096 0.000 1.048 287 T CA 1.427 63.576 62.100 0.081 0.000 1.139 287 T CB -0.483 68.420 68.868 0.057 0.000 0.874 287 T HN 0.314 nan 8.240 nan 0.000 0.455 288 D N 1.073 121.540 120.400 0.112 0.000 2.104 288 D HA -0.076 4.564 4.640 0.000 0.000 0.194 288 D C 1.981 178.439 176.300 0.264 0.000 0.994 288 D CA 1.169 55.279 54.000 0.182 0.000 0.830 288 D CB -0.445 40.440 40.800 0.142 0.000 0.959 288 D HN 0.394 nan 8.370 nan 0.000 0.452 289 M N 0.319 120.049 119.600 0.217 0.000 2.117 289 M HA -0.079 4.401 4.480 0.000 0.000 0.262 289 M C 2.045 178.276 176.300 -0.115 0.000 1.065 289 M CA 1.998 57.347 55.300 0.081 0.000 1.114 289 M CB -0.198 32.447 32.600 0.076 0.000 1.361 289 M HN 0.036 nan 8.290 nan 0.000 0.408 290 G N -0.481 108.332 108.800 0.022 0.000 2.418 290 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 290 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 290 G C 1.445 176.348 174.900 0.005 0.000 1.158 290 G CA 1.522 46.661 45.100 0.067 0.000 0.771 290 G HN 0.607 nan 8.290 nan 0.000 0.545 291 T N -1.662 112.904 114.554 0.020 0.000 2.867 291 T HA -0.036 4.314 4.350 0.000 0.000 0.268 291 T C 2.221 176.899 174.700 -0.038 0.000 1.057 291 T CA 1.484 63.595 62.100 0.019 0.000 1.136 291 T CB -0.135 68.771 68.868 0.062 0.000 0.874 291 T HN 0.141 nan 8.240 nan 0.000 0.466 292 M N 0.477 120.007 119.600 -0.116 0.000 2.134 292 M HA 0.015 4.495 4.480 0.000 0.000 0.262 292 M C 2.321 178.451 176.300 -0.284 0.000 1.076 292 M CA 1.453 56.596 55.300 -0.261 0.000 1.143 292 M CB -0.710 31.538 32.600 -0.587 0.000 1.346 292 M HN 0.151 nan 8.290 nan 0.000 0.421 293 Q N 0.645 120.234 119.800 -0.351 0.000 2.124 293 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 293 Q C 1.742 177.642 176.000 -0.168 0.000 0.977 293 Q CA 1.284 56.873 55.803 -0.356 0.000 0.850 293 Q CB -0.482 27.822 28.738 -0.723 0.000 0.901 293 Q HN 0.560 nan 8.270 nan 0.000 0.429 294 E N 0.304 120.452 120.200 -0.086 0.000 2.409 294 E HA -0.120 4.231 4.350 0.000 0.000 0.198 294 E C 1.720 178.304 176.600 -0.027 0.000 1.024 294 E CA 0.449 56.847 56.400 -0.003 0.000 0.861 294 E CB 0.020 29.744 29.700 0.040 0.000 0.788 294 E HN 0.306 nan 8.360 nan 0.000 0.521 295 R N -0.092 120.370 120.500 -0.064 0.000 2.173 295 R HA 0.178 4.518 4.340 0.000 0.000 0.208 295 R C 0.943 177.198 176.300 -0.074 0.000 1.035 295 R CA 0.118 56.182 56.100 -0.061 0.000 1.004 295 R CB 0.270 30.528 30.300 -0.071 0.000 0.917 295 R HN 0.044 nan 8.270 nan 0.000 0.462 296 I N 1.818 122.326 120.570 -0.102 0.000 2.278 296 I HA 0.034 4.204 4.170 0.000 0.000 0.300 296 I C -0.086 175.982 176.117 -0.082 0.000 1.174 296 I CA 0.367 61.601 61.300 -0.111 0.000 1.347 296 I CB 0.478 38.385 38.000 -0.156 0.000 1.473 296 I HN -0.062 nan 8.210 nan 0.000 0.595 297 T N 2.819 117.335 114.554 -0.064 0.000 2.957 297 T HA 0.226 4.576 4.350 0.000 0.000 0.336 297 T C -0.306 174.367 174.700 -0.045 0.000 1.462 297 T CA -0.407 61.664 62.100 -0.049 0.000 1.073 297 T CB 1.440 70.290 68.868 -0.031 0.000 1.319 297 T HN 0.287 nan 8.240 nan 0.000 0.485 298 T N 3.607 118.135 114.554 -0.043 0.000 2.918 298 T HA 0.565 4.915 4.350 0.000 0.000 0.302 298 T C 0.558 175.234 174.700 -0.039 0.000 1.045 298 T CA 0.021 62.098 62.100 -0.038 0.000 1.114 298 T CB 0.655 69.501 68.868 -0.037 0.000 0.965 298 T HN 0.898 nan 8.240 nan 0.000 0.540 299 T N -0.283 114.248 114.554 -0.037 0.000 2.742 299 T HA 0.472 4.822 4.350 0.000 0.000 0.282 299 T C 0.978 175.653 174.700 -0.043 0.000 1.025 299 T CA -1.043 61.031 62.100 -0.043 0.000 1.020 299 T CB 1.386 70.231 68.868 -0.037 0.000 1.317 299 T HN 0.369 nan 8.240 nan 0.000 0.538 300 K N 0.072 120.443 120.400 -0.047 0.000 2.209 300 K HA 0.016 4.336 4.320 0.000 0.000 0.204 300 K C 2.104 178.684 176.600 -0.034 0.000 1.048 300 K CA 1.019 57.280 56.287 -0.042 0.000 0.940 300 K CB -0.083 32.390 32.500 -0.046 0.000 0.729 300 K HN 0.465 nan 8.250 nan 0.000 0.451 301 K N -0.264 120.117 120.400 -0.032 0.000 2.167 301 K HA 0.001 4.321 4.320 0.000 0.000 0.203 301 K C 0.798 177.382 176.600 -0.026 0.000 1.052 301 K CA 0.728 56.997 56.287 -0.030 0.000 0.956 301 K CB 0.443 32.922 32.500 -0.034 0.000 0.735 301 K HN 0.183 nan 8.250 nan 0.000 0.451 302 G N -0.238 108.549 108.800 -0.023 0.000 2.489 302 G HA2 0.179 4.139 3.960 0.000 0.000 0.291 302 G HA3 0.179 4.139 3.960 0.000 0.000 0.291 302 G C -1.735 173.158 174.900 -0.011 0.000 1.487 302 G CA -0.670 44.422 45.100 -0.013 0.000 0.795 302 G HN -0.070 nan 8.290 nan 0.000 0.513 303 S N -0.388 115.310 115.700 -0.003 0.000 2.489 303 S HA 0.761 5.231 4.470 0.000 0.000 0.291 303 S C -0.209 174.387 174.600 -0.008 0.000 1.151 303 S CA -0.690 57.505 58.200 -0.008 0.000 1.082 303 S CB 0.434 63.633 63.200 -0.002 0.000 1.019 303 S HN 0.504 nan 8.310 nan 0.000 0.492 304 I N 4.074 124.624 120.570 -0.033 0.000 2.410 304 I HA 0.242 4.412 4.170 0.000 0.000 0.286 304 I C -0.301 175.755 176.117 -0.102 0.000 1.009 304 I CA -0.562 60.701 61.300 -0.063 0.000 1.111 304 I CB 2.187 40.148 38.000 -0.064 0.000 1.262 304 I HN 0.509 nan 8.210 nan 0.000 0.443 305 T N 4.391 118.857 114.554 -0.146 0.000 2.727 305 T HA 0.251 4.601 4.350 0.000 0.000 0.298 305 T C 0.206 174.726 174.700 -0.301 0.000 0.942 305 T CA -0.500 61.485 62.100 -0.192 0.000 0.997 305 T CB 0.424 69.180 68.868 -0.187 0.000 0.917 305 T HN 0.671 nan 8.240 nan 0.000 0.487 306 S N 2.437 117.974 115.700 -0.270 0.000 2.451 306 S HA 0.676 5.146 4.470 0.000 0.000 0.301 306 S C -0.405 173.993 174.600 -0.336 0.000 1.116 306 S CA -0.809 57.201 58.200 -0.316 0.000 1.093 306 S CB 1.225 64.287 63.200 -0.230 0.000 1.017 306 S HN 0.367 nan 8.310 nan 0.000 0.482 307 V N 3.824 123.504 119.914 -0.389 0.000 2.376 307 V HA 0.432 4.552 4.120 0.000 0.000 0.287 307 V C -0.549 175.437 176.094 -0.180 0.000 1.015 307 V CA -0.504 61.633 62.300 -0.272 0.000 0.834 307 V CB 1.116 32.844 31.823 -0.158 0.000 1.001 307 V HN 0.960 nan 8.190 nan 0.000 0.428 308 Q N 3.235 122.922 119.800 -0.188 0.000 2.333 308 Q HA 0.720 5.060 4.340 0.000 0.000 0.268 308 Q C -0.191 175.703 176.000 -0.176 0.000 1.007 308 Q CA -0.561 55.130 55.803 -0.187 0.000 0.810 308 Q CB 2.566 31.169 28.738 -0.225 0.000 1.264 308 Q HN 0.862 nan 8.270 nan 0.000 0.452 309 A N 3.733 126.488 122.820 -0.109 0.000 2.450 309 A HA 0.478 4.798 4.320 0.000 0.000 0.255 309 A C -0.330 177.181 177.584 -0.120 0.000 1.096 309 A CA -0.073 51.919 52.037 -0.076 0.000 0.778 309 A CB -0.010 19.003 19.000 0.023 0.000 1.031 309 A HN 0.756 nan 8.150 nan 0.000 0.494 310 I N 3.013 123.458 120.570 -0.208 0.000 2.476 310 I HA 0.158 4.328 4.170 0.000 0.000 0.281 310 I C -0.643 175.415 176.117 -0.098 0.000 1.040 310 I CA -0.437 60.710 61.300 -0.254 0.000 1.094 310 I CB 1.127 38.642 38.000 -0.810 0.000 1.219 310 I HN 0.746 nan 8.210 nan 0.000 0.450 311 Y N 6.921 127.166 120.300 -0.091 0.000 2.497 311 Y HA 0.343 4.893 4.550 0.000 0.000 0.334 311 Y C -0.266 175.433 175.900 -0.334 0.000 1.199 311 Y CA 0.102 58.075 58.100 -0.213 0.000 1.425 311 Y CB 0.891 39.166 38.460 -0.307 0.000 1.291 311 Y HN 0.264 nan 8.280 nan 0.000 0.562 312 V N 8.633 127.992 119.914 -0.925 0.000 2.305 312 V HA 0.285 4.405 4.120 0.000 0.000 0.275 312 V C -2.347 173.255 176.094 -0.820 0.000 1.020 312 V CA -2.019 59.929 62.300 -0.585 0.000 0.811 312 V CB 0.906 32.590 31.823 -0.230 0.000 1.031 312 V HN 0.707 nan 8.190 nan 0.000 0.439 313 P HA 0.210 nan 4.420 nan 0.000 0.268 313 P C 0.651 177.880 177.300 -0.118 0.000 1.204 313 P CA 0.624 63.584 63.100 -0.233 0.000 0.768 313 P CB 0.853 32.599 31.700 0.077 0.000 0.842 314 A N 3.536 126.319 122.820 -0.063 0.000 2.816 314 A HA -0.263 4.057 4.320 0.000 0.000 0.270 314 A C 0.959 178.512 177.584 -0.051 0.000 1.413 314 A CA 1.234 53.258 52.037 -0.023 0.000 0.866 314 A CB -2.650 16.362 19.000 0.020 0.000 1.032 314 A HN 0.610 nan 8.150 nan 0.000 0.642 315 D N -1.711 118.620 120.400 -0.115 0.000 3.070 315 D HA -0.178 4.462 4.640 0.000 0.000 0.220 315 D C -0.181 176.088 176.300 -0.052 0.000 1.176 315 D CA 2.083 56.027 54.000 -0.092 0.000 0.924 315 D CB -0.965 39.803 40.800 -0.053 0.000 1.124 315 D HN 0.921 nan 8.370 nan 0.000 0.411 316 D N 0.233 120.610 120.400 -0.038 0.000 2.428 316 D HA 0.218 4.858 4.640 0.000 0.000 0.221 316 D C 1.429 177.744 176.300 0.025 0.000 1.123 316 D CA -0.376 53.625 54.000 0.001 0.000 0.869 316 D CB 0.275 41.088 40.800 0.022 0.000 1.032 316 D HN 0.116 nan 8.370 nan 0.000 0.506 317 L N 2.627 123.873 121.223 0.039 0.000 2.549 317 L HA -0.094 4.246 4.340 0.000 0.000 0.230 317 L C 2.235 179.182 176.870 0.127 0.000 1.162 317 L CA 1.189 56.091 54.840 0.103 0.000 0.834 317 L CB -0.352 41.761 42.059 0.091 0.000 0.947 317 L HN 0.464 nan 8.230 nan 0.000 0.452 318 T N -4.897 109.700 114.554 0.072 0.000 3.100 318 T HA -0.059 4.291 4.350 0.000 0.000 0.253 318 T C 0.813 175.567 174.700 0.091 0.000 1.118 318 T CA -0.406 61.736 62.100 0.069 0.000 1.058 318 T CB -0.281 68.608 68.868 0.035 0.000 0.953 318 T HN 0.186 nan 8.240 nan 0.000 0.515 319 D N 2.906 123.370 120.400 0.105 0.000 2.533 319 D HA 0.018 4.658 4.640 0.000 0.000 0.236 319 D C -1.480 174.878 176.300 0.097 0.000 1.137 319 D CA -1.332 52.751 54.000 0.138 0.000 0.867 319 D CB 1.475 42.371 40.800 0.161 0.000 1.170 319 D HN 0.047 nan 8.370 nan 0.000 0.474 320 P HA -0.196 nan 4.420 nan 0.000 0.217 320 P C 0.850 178.050 177.300 -0.167 0.000 1.148 320 P CA 1.880 64.919 63.100 -0.101 0.000 0.834 320 P CB 0.161 31.736 31.700 -0.209 0.000 0.783 321 A N 0.270 122.947 122.820 -0.238 0.000 1.835 321 A HA -0.115 4.205 4.320 0.000 0.000 0.215 321 A C 0.004 177.668 177.584 0.134 0.000 1.199 321 A CA 2.204 54.224 52.037 -0.029 0.000 0.615 321 A CB -2.229 16.945 19.000 0.291 0.000 0.838 321 A HN 0.215 nan 8.150 nan 0.000 0.444 322 P HA -0.097 nan 4.420 nan 0.000 0.217 322 P C 1.592 179.031 177.300 0.233 0.000 1.150 322 P CA 1.905 65.135 63.100 0.217 0.000 0.832 322 P CB -0.208 31.645 31.700 0.255 0.000 0.787 323 A N 0.232 123.212 122.820 0.267 0.000 1.917 323 A HA -0.175 4.145 4.320 0.000 0.000 0.219 323 A C 2.274 180.052 177.584 0.323 0.000 1.182 323 A CA 2.624 54.872 52.037 0.351 0.000 0.633 323 A CB -1.974 17.134 19.000 0.180 0.000 0.819 323 A HN 0.233 nan 8.150 nan 0.000 0.448 324 T N -0.535 114.137 114.554 0.197 0.000 3.023 324 T HA -0.035 4.316 4.350 0.000 0.000 0.266 324 T C 1.769 176.618 174.700 0.248 0.000 1.093 324 T CA 1.546 63.752 62.100 0.177 0.000 1.129 324 T CB -0.278 68.659 68.868 0.114 0.000 0.899 324 T HN 0.575 nan 8.240 nan 0.000 0.491 325 T N 1.581 116.271 114.554 0.227 0.000 2.942 325 T HA 0.088 4.438 4.350 0.000 0.000 0.265 325 T C 1.499 176.354 174.700 0.258 0.000 1.062 325 T CA 0.548 62.777 62.100 0.215 0.000 1.139 325 T CB -0.451 68.444 68.868 0.044 0.000 0.883 325 T HN 0.338 nan 8.240 nan 0.000 0.468 326 F N 2.147 122.284 119.950 0.311 0.000 2.091 326 F HA -0.144 4.383 4.527 0.000 0.000 0.299 326 F C 2.719 178.585 175.800 0.109 0.000 1.103 326 F CA 1.097 59.225 58.000 0.213 0.000 1.228 326 F CB -0.570 38.441 39.000 0.018 0.000 0.984 326 F HN 0.142 nan 8.300 nan 0.000 0.477 327 A N -1.430 121.511 122.820 0.201 0.000 2.125 327 A HA -0.177 4.143 4.320 0.000 0.000 0.219 327 A C 1.543 179.062 177.584 -0.109 0.000 1.156 327 A CA 1.284 53.318 52.037 -0.005 0.000 0.671 327 A CB -0.922 18.006 19.000 -0.121 0.000 0.794 327 A HN 0.480 nan 8.150 nan 0.000 0.459 328 H N -1.139 117.986 119.070 0.092 0.000 2.526 328 H HA 0.342 4.898 4.556 0.000 0.000 0.274 328 H C -0.181 175.165 175.328 0.030 0.000 0.999 328 H CA 0.248 56.320 56.048 0.040 0.000 1.157 328 H CB -0.004 29.760 29.762 0.003 0.000 1.407 328 H HN 0.352 nan 8.280 nan 0.000 0.568 329 L N -0.003 121.309 121.223 0.148 0.000 2.319 329 L HA 0.238 4.578 4.340 0.000 0.000 0.267 329 L C 0.743 177.668 176.870 0.092 0.000 1.011 329 L CA -0.633 54.275 54.840 0.113 0.000 0.818 329 L CB 1.941 44.097 42.059 0.160 0.000 1.316 329 L HN -0.130 nan 8.230 nan 0.000 0.432 330 D N 0.570 121.007 120.400 0.063 0.000 2.380 330 D HA 0.216 4.856 4.640 0.000 0.000 0.212 330 D C 0.186 176.539 176.300 0.088 0.000 1.021 330 D CA 0.528 54.565 54.000 0.061 0.000 0.884 330 D CB 1.081 41.901 40.800 0.034 0.000 1.001 330 D HN 0.493 nan 8.370 nan 0.000 0.506 331 A N 0.713 123.591 122.820 0.097 0.000 2.422 331 A HA 0.583 4.903 4.320 0.000 0.000 0.302 331 A C -0.463 177.232 177.584 0.185 0.000 1.041 331 A CA -0.587 51.545 52.037 0.158 0.000 0.708 331 A CB 1.493 20.630 19.000 0.228 0.000 1.257 331 A HN -0.023 nan 8.150 nan 0.000 0.414 332 T N -0.564 114.142 114.554 0.252 0.000 2.812 332 T HA 0.690 5.040 4.350 0.000 0.000 0.282 332 T C -0.479 174.417 174.700 0.327 0.000 0.990 332 T CA -0.489 61.814 62.100 0.339 0.000 0.960 332 T CB 1.288 70.391 68.868 0.390 0.000 0.948 332 T HN 0.465 nan 8.240 nan 0.000 0.438 333 T N 3.188 117.962 114.554 0.365 0.000 2.788 333 T HA 0.503 4.853 4.350 0.000 0.000 0.296 333 T C -0.207 174.693 174.700 0.334 0.000 1.009 333 T CA -0.566 61.727 62.100 0.321 0.000 0.949 333 T CB 0.941 70.019 68.868 0.350 0.000 0.946 333 T HN 0.633 nan 8.240 nan 0.000 0.453 334 V N 5.472 125.536 119.914 0.250 0.000 2.347 334 V HA 0.390 4.511 4.120 0.000 0.000 0.280 334 V C -0.308 175.879 176.094 0.156 0.000 1.021 334 V CA -0.834 61.599 62.300 0.222 0.000 0.847 334 V CB 0.975 32.875 31.823 0.128 0.000 0.990 334 V HN 0.616 nan 8.190 nan 0.000 0.444 335 L N 3.847 125.165 121.223 0.160 0.000 2.375 335 L HA 0.707 5.047 4.340 0.000 0.000 0.268 335 L C 0.330 177.243 176.870 0.071 0.000 1.058 335 L CA 0.407 55.314 54.840 0.112 0.000 0.803 335 L CB 1.711 43.845 42.059 0.124 0.000 1.212 335 L HN 0.699 nan 8.230 nan 0.000 0.451 336 S N 0.375 116.099 115.700 0.040 0.000 2.575 336 S HA 0.404 4.874 4.470 0.000 0.000 0.278 336 S C 0.655 175.251 174.600 -0.007 0.000 1.139 336 S CA -0.687 57.520 58.200 0.012 0.000 0.954 336 S CB 1.129 64.330 63.200 0.002 0.000 1.054 336 S HN 0.672 nan 8.310 nan 0.000 0.483 337 R N 3.064 123.559 120.500 -0.009 0.000 2.120 337 R HA -0.025 4.315 4.340 0.000 0.000 0.234 337 R C 2.034 178.315 176.300 -0.032 0.000 1.123 337 R CA 1.736 57.828 56.100 -0.014 0.000 0.975 337 R CB -0.511 29.784 30.300 -0.008 0.000 0.866 337 R HN 0.753 nan 8.270 nan 0.000 0.446 338 A N 0.602 123.404 122.820 -0.031 0.000 1.972 338 A HA -0.107 4.213 4.320 0.000 0.000 0.219 338 A C 1.991 179.544 177.584 -0.052 0.000 1.169 338 A CA 1.146 53.161 52.037 -0.037 0.000 0.635 338 A CB -0.284 18.697 19.000 -0.032 0.000 0.810 338 A HN 0.337 nan 8.150 nan 0.000 0.446 339 I N -0.872 119.663 120.570 -0.059 0.000 2.400 339 I HA -0.102 4.068 4.170 0.000 0.000 0.248 339 I C 2.916 178.928 176.117 -0.174 0.000 1.109 339 I CA 0.768 62.019 61.300 -0.083 0.000 1.425 339 I CB -0.371 37.595 38.000 -0.057 0.000 1.094 339 I HN 0.295 nan 8.210 nan 0.000 0.425 340 A N 1.094 123.791 122.820 -0.205 0.000 1.908 340 A HA -0.286 4.034 4.320 0.000 0.000 0.218 340 A C 2.273 179.661 177.584 -0.326 0.000 1.181 340 A CA 2.138 53.932 52.037 -0.405 0.000 0.627 340 A CB -0.790 18.114 19.000 -0.160 0.000 0.818 340 A HN 0.595 nan 8.150 nan 0.000 0.445 341 E N 0.157 120.272 120.200 -0.143 0.000 2.265 341 E HA -0.137 4.213 4.350 0.000 0.000 0.196 341 E C 1.416 177.967 176.600 -0.081 0.000 0.996 341 E CA 1.023 57.378 56.400 -0.076 0.000 0.832 341 E CB -0.299 29.377 29.700 -0.040 0.000 0.756 341 E HN 0.656 nan 8.360 nan 0.000 0.491 342 L N -0.490 120.664 121.223 -0.115 0.000 2.558 342 L HA 0.264 4.604 4.340 0.000 0.000 0.225 342 L C 1.609 178.412 176.870 -0.112 0.000 1.128 342 L CA 0.385 55.166 54.840 -0.098 0.000 0.868 342 L CB 0.016 42.027 42.059 -0.080 0.000 1.006 342 L HN 0.441 nan 8.230 nan 0.000 0.454 343 G N 0.501 109.205 108.800 -0.160 0.000 2.176 343 G HA2 -0.236 3.724 3.960 0.000 0.000 0.253 343 G HA3 -0.236 3.724 3.960 0.000 0.000 0.253 343 G C 0.296 175.176 174.900 -0.032 0.000 0.979 343 G CA -0.447 44.614 45.100 -0.065 0.000 0.641 343 G HN 0.173 nan 8.290 nan 0.000 0.530 344 I N 1.468 121.940 120.570 -0.164 0.000 2.389 344 I HA 0.327 4.498 4.170 0.000 0.000 0.295 344 I C 0.048 175.983 176.117 -0.304 0.000 1.117 344 I CA -0.009 61.250 61.300 -0.068 0.000 1.317 344 I CB -0.862 37.121 38.000 -0.028 0.000 1.431 344 I HN 0.121 nan 8.210 nan 0.000 0.521 345 Y N 7.447 127.724 120.300 -0.039 0.000 2.409 345 Y HA 0.391 4.941 4.550 0.000 0.000 0.343 345 Y C -1.981 173.734 175.900 -0.310 0.000 0.973 345 Y CA -2.469 55.530 58.100 -0.168 0.000 1.064 345 Y CB 2.155 40.498 38.460 -0.194 0.000 1.207 345 Y HN 0.413 nan 8.280 nan 0.000 0.452 346 P HA 0.055 nan 4.420 nan 0.000 0.271 346 P C -0.444 176.873 177.300 0.029 0.000 1.218 346 P CA -0.138 62.921 63.100 -0.068 0.000 0.780 346 P CB 1.175 32.844 31.700 -0.051 0.000 0.901 347 A N 3.462 126.330 122.820 0.079 0.000 2.728 347 A HA 0.209 4.529 4.320 0.000 0.000 0.258 347 A C 0.514 178.120 177.584 0.037 0.000 1.454 347 A CA -0.302 51.734 52.037 -0.001 0.000 1.146 347 A CB -1.122 17.864 19.000 -0.023 0.000 0.985 347 A HN 0.374 nan 8.150 nan 0.000 0.603 348 V N 1.251 121.199 119.914 0.056 0.000 2.521 348 V HA 0.029 4.149 4.120 0.000 0.000 0.286 348 V C 0.394 176.514 176.094 0.044 0.000 1.034 348 V CA -0.436 61.908 62.300 0.072 0.000 1.045 348 V CB 0.959 32.834 31.823 0.086 0.000 0.974 348 V HN 0.567 nan 8.190 nan 0.000 0.480 349 D N 7.527 127.954 120.400 0.045 0.000 2.344 349 D HA 0.177 4.817 4.640 0.000 0.000 0.253 349 D C -1.586 174.726 176.300 0.020 0.000 1.255 349 D CA -2.005 52.010 54.000 0.025 0.000 0.894 349 D CB 1.824 42.635 40.800 0.018 0.000 1.067 349 D HN 0.256 nan 8.370 nan 0.000 0.492 350 P HA -0.002 nan 4.420 nan 0.000 0.226 350 P C 0.844 178.135 177.300 -0.015 0.000 1.153 350 P CA 0.706 63.801 63.100 -0.008 0.000 0.777 350 P CB 0.241 31.935 31.700 -0.011 0.000 0.794 351 L N -1.496 119.720 121.223 -0.012 0.000 2.769 351 L HA 0.291 4.631 4.340 0.000 0.000 0.240 351 L C 0.696 177.546 176.870 -0.033 0.000 1.163 351 L CA 0.328 55.153 54.840 -0.024 0.000 0.962 351 L CB 0.081 42.126 42.059 -0.024 0.000 1.258 351 L HN -0.169 nan 8.230 nan 0.000 0.513 352 D N -0.696 119.691 120.400 -0.022 0.000 2.651 352 D HA 0.138 4.778 4.640 0.000 0.000 0.280 352 D C -0.371 175.927 176.300 -0.003 0.000 1.496 352 D CA 0.223 54.200 54.000 -0.037 0.000 0.792 352 D CB 0.832 41.604 40.800 -0.046 0.000 1.144 352 D HN -0.111 nan 8.370 nan 0.000 0.470 353 S N -0.273 115.440 115.700 0.022 0.000 2.502 353 S HA 0.749 5.219 4.470 0.000 0.000 0.304 353 S C -0.261 174.374 174.600 0.058 0.000 1.097 353 S CA -0.644 57.599 58.200 0.071 0.000 1.045 353 S CB 1.951 65.206 63.200 0.092 0.000 1.019 353 S HN 0.249 nan 8.310 nan 0.000 0.481 354 T N -1.019 113.589 114.554 0.090 0.000 2.883 354 T HA 0.845 5.195 4.350 0.000 0.000 0.296 354 T C -0.771 173.994 174.700 0.109 0.000 1.117 354 T CA -0.878 61.266 62.100 0.073 0.000 1.006 354 T CB 1.866 70.763 68.868 0.048 0.000 1.191 354 T HN 0.479 nan 8.240 nan 0.000 0.508 355 S N -0.731 115.022 115.700 0.088 0.000 2.543 355 S HA 0.398 4.868 4.470 0.000 0.000 0.271 355 S C 0.803 175.444 174.600 0.069 0.000 1.148 355 S CA -0.756 57.503 58.200 0.098 0.000 0.914 355 S CB 1.974 65.239 63.200 0.109 0.000 1.096 355 S HN 0.954 nan 8.310 nan 0.000 0.471 356 R N 2.459 122.998 120.500 0.064 0.000 2.117 356 R HA -0.111 4.229 4.340 0.000 0.000 0.243 356 R C 1.743 178.061 176.300 0.030 0.000 1.143 356 R CA 2.580 58.706 56.100 0.043 0.000 0.968 356 R CB -0.563 29.760 30.300 0.038 0.000 0.863 356 R HN 0.838 nan 8.270 nan 0.000 0.444 357 I N -2.076 118.513 120.570 0.032 0.000 3.684 357 I HA 0.131 4.301 4.170 0.000 0.000 0.304 357 I C 0.621 176.732 176.117 -0.010 0.000 1.278 357 I CA -0.165 61.141 61.300 0.009 0.000 1.272 357 I CB 0.000 38.008 38.000 0.013 0.000 1.029 357 I HN 0.005 nan 8.210 nan 0.000 0.458 358 M N 3.329 122.939 119.600 0.017 0.000 3.102 358 M HA 0.215 4.695 4.480 0.000 0.000 0.269 358 M C -0.830 175.543 176.300 0.121 0.000 1.551 358 M CA 0.057 55.389 55.300 0.054 0.000 1.629 358 M CB -1.461 31.180 32.600 0.069 0.000 1.324 358 M HN 0.293 nan 8.290 nan 0.000 0.509 359 D N 4.758 125.170 120.400 0.019 0.000 2.970 359 D HA 0.358 4.998 4.640 0.000 0.000 0.230 359 D C -2.427 173.726 176.300 -0.243 0.000 1.276 359 D CA -1.396 52.513 54.000 -0.152 0.000 0.910 359 D CB 2.319 43.060 40.800 -0.097 0.000 1.590 359 D HN 0.148 nan 8.370 nan 0.000 0.551 360 P HA -0.116 nan 4.420 nan 0.000 0.219 360 P C 0.761 177.967 177.300 -0.156 0.000 1.146 360 P CA 0.819 63.708 63.100 -0.352 0.000 0.808 360 P CB 0.500 31.903 31.700 -0.495 0.000 0.779 361 N N -0.603 118.006 118.700 -0.153 0.000 2.459 361 N HA 0.009 4.749 4.740 0.000 0.000 0.181 361 N C 1.848 177.326 175.510 -0.054 0.000 1.046 361 N CA 0.767 53.766 53.050 -0.084 0.000 0.904 361 N CB -0.143 38.297 38.487 -0.079 0.000 0.964 361 N HN 0.317 nan 8.380 nan 0.000 0.444 362 I N -0.212 120.323 120.570 -0.059 0.000 2.899 362 I HA -0.065 4.105 4.170 0.000 0.000 0.257 362 I C 1.779 177.884 176.117 -0.021 0.000 1.115 362 I CA 0.370 61.650 61.300 -0.034 0.000 1.451 362 I CB 0.069 38.048 38.000 -0.034 0.000 1.251 362 I HN -0.122 nan 8.210 nan 0.000 0.456 363 V N -0.873 119.015 119.914 -0.044 0.000 3.649 363 V HA 0.503 4.623 4.120 0.000 0.000 0.275 363 V C 0.847 176.979 176.094 0.063 0.000 1.281 363 V CA 0.083 62.363 62.300 -0.034 0.000 1.143 363 V CB -1.262 30.378 31.823 -0.305 0.000 0.892 363 V HN 0.504 nan 8.190 nan 0.000 0.441 364 G N 1.077 109.902 108.800 0.043 0.000 2.716 364 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 364 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 364 G C 0.458 175.421 174.900 0.106 0.000 1.337 364 G CA 0.279 45.421 45.100 0.069 0.000 0.829 364 G HN 1.311 nan 8.290 nan 0.000 0.599 365 S N -0.281 115.472 115.700 0.088 0.000 2.402 365 S HA -0.078 4.392 4.470 0.000 0.000 0.229 365 S C 1.772 176.476 174.600 0.174 0.000 1.021 365 S CA 1.800 60.073 58.200 0.122 0.000 0.974 365 S CB -0.069 63.177 63.200 0.077 0.000 0.800 365 S HN 0.920 nan 8.310 nan 0.000 0.484 366 E N 0.940 121.228 120.200 0.147 0.000 2.051 366 E HA -0.260 4.090 4.350 0.000 0.000 0.192 366 E C 2.049 178.761 176.600 0.188 0.000 0.991 366 E CA 1.249 57.733 56.400 0.140 0.000 0.799 366 E CB -0.359 29.404 29.700 0.105 0.000 0.748 366 E HN 0.863 nan 8.360 nan 0.000 0.449 367 H N -1.426 117.702 119.070 0.096 0.000 2.290 367 H HA -0.221 4.335 4.556 0.000 0.000 0.298 367 H C 2.143 177.526 175.328 0.092 0.000 1.087 367 H CA 1.763 57.863 56.048 0.087 0.000 1.291 367 H CB -0.133 29.680 29.762 0.085 0.000 1.369 367 H HN 0.258 nan 8.280 nan 0.000 0.492 368 Y N 1.600 121.989 120.300 0.148 0.000 2.128 368 Y HA -0.252 4.298 4.550 0.000 0.000 0.284 368 Y C 2.033 177.970 175.900 0.062 0.000 1.154 368 Y CA 2.004 60.132 58.100 0.047 0.000 1.149 368 Y CB -0.356 38.104 38.460 -0.001 0.000 0.976 368 Y HN 0.335 nan 8.280 nan 0.000 0.505 369 D N -0.597 119.883 120.400 0.133 0.000 2.117 369 D HA -0.179 4.461 4.640 0.000 0.000 0.197 369 D C 2.381 178.670 176.300 -0.019 0.000 0.987 369 D CA 1.769 55.793 54.000 0.041 0.000 0.829 369 D CB -0.492 40.371 40.800 0.106 0.000 0.961 369 D HN 0.315 nan 8.370 nan 0.000 0.460 370 V N 1.186 121.120 119.914 0.033 0.000 2.427 370 V HA -0.187 3.933 4.120 0.000 0.000 0.248 370 V C 2.469 178.546 176.094 -0.028 0.000 1.051 370 V CA 1.661 63.981 62.300 0.033 0.000 1.048 370 V CB -0.766 31.105 31.823 0.081 0.000 0.666 370 V HN 0.177 nan 8.190 nan 0.000 0.456 371 A N -0.032 122.755 122.820 -0.054 0.000 1.873 371 A HA -0.159 4.161 4.320 0.000 0.000 0.215 371 A C 2.348 179.820 177.584 -0.185 0.000 1.186 371 A CA 1.317 53.283 52.037 -0.118 0.000 0.616 371 A CB -0.409 18.550 19.000 -0.068 0.000 0.823 371 A HN 0.371 nan 8.150 nan 0.000 0.442 372 R N -0.373 119.951 120.500 -0.293 0.000 2.092 372 R HA -0.076 4.264 4.340 0.000 0.000 0.231 372 R C 2.326 178.543 176.300 -0.139 0.000 1.119 372 R CA 1.228 57.160 56.100 -0.279 0.000 0.970 372 R CB -1.610 28.430 30.300 -0.433 0.000 0.864 372 R HN 0.529 nan 8.270 nan 0.000 0.440 373 G N 0.309 109.051 108.800 -0.097 0.000 2.418 373 G HA2 -0.196 3.765 3.960 0.000 0.000 0.217 373 G HA3 -0.196 3.765 3.960 0.000 0.000 0.217 373 G C 1.574 176.460 174.900 -0.023 0.000 1.158 373 G CA 0.779 45.856 45.100 -0.038 0.000 0.771 373 G HN 0.177 nan 8.290 nan 0.000 0.545 374 V N 0.480 120.373 119.914 -0.035 0.000 2.343 374 V HA -0.244 3.876 4.120 0.000 0.000 0.247 374 V C 2.913 178.987 176.094 -0.033 0.000 1.051 374 V CA 2.274 64.558 62.300 -0.027 0.000 1.036 374 V CB -0.548 31.211 31.823 -0.106 0.000 0.654 374 V HN 0.433 nan 8.190 nan 0.000 0.451 375 Q N -0.404 119.359 119.800 -0.061 0.000 2.119 375 Q HA -0.227 4.113 4.340 0.000 0.000 0.201 375 Q C 2.372 178.357 176.000 -0.025 0.000 0.972 375 Q CA 1.624 57.398 55.803 -0.048 0.000 0.847 375 Q CB -0.207 28.488 28.738 -0.071 0.000 0.903 375 Q HN 0.578 nan 8.270 nan 0.000 0.433 376 K N 1.064 121.447 120.400 -0.028 0.000 2.002 376 K HA -0.168 4.152 4.320 0.000 0.000 0.209 376 K C 2.010 178.617 176.600 0.012 0.000 1.048 376 K CA 1.145 57.426 56.287 -0.010 0.000 0.930 376 K CB -0.176 32.316 32.500 -0.014 0.000 0.714 376 K HN 0.183 nan 8.250 nan 0.000 0.438 377 I N 1.075 121.656 120.570 0.017 0.000 2.286 377 I HA -0.285 3.885 4.170 0.000 0.000 0.248 377 I C 1.956 178.118 176.117 0.074 0.000 1.115 377 I CA 1.076 62.398 61.300 0.036 0.000 1.392 377 I CB 0.081 38.094 38.000 0.022 0.000 1.065 377 I HN 0.256 nan 8.210 nan 0.000 0.418 378 L N -0.133 121.131 121.223 0.069 0.000 2.056 378 L HA -0.219 4.121 4.340 0.000 0.000 0.207 378 L C 2.555 179.480 176.870 0.092 0.000 1.078 378 L CA 1.083 55.990 54.840 0.110 0.000 0.749 378 L CB -0.604 41.499 42.059 0.074 0.000 0.901 378 L HN 0.294 nan 8.230 nan 0.000 0.433 379 Q N 0.354 120.178 119.800 0.040 0.000 2.119 379 Q HA -0.200 4.140 4.340 0.000 0.000 0.201 379 Q C 1.682 177.694 176.000 0.019 0.000 0.972 379 Q CA 1.674 57.485 55.803 0.013 0.000 0.847 379 Q CB -0.066 28.669 28.738 -0.005 0.000 0.903 379 Q HN 0.345 nan 8.270 nan 0.000 0.433 380 D N -0.951 119.474 120.400 0.042 0.000 2.117 380 D HA -0.174 4.466 4.640 0.000 0.000 0.197 380 D C 1.534 177.887 176.300 0.087 0.000 0.987 380 D CA 1.234 55.264 54.000 0.050 0.000 0.829 380 D CB -0.437 40.394 40.800 0.052 0.000 0.961 380 D HN 0.362 nan 8.370 nan 0.000 0.460 381 Y N 1.750 122.043 120.300 -0.012 0.000 2.181 381 Y HA -0.142 4.408 4.550 0.000 0.000 0.288 381 Y C 2.123 178.015 175.900 -0.013 0.000 1.146 381 Y CA 1.539 59.633 58.100 -0.011 0.000 1.164 381 Y CB -0.204 38.250 38.460 -0.010 0.000 0.982 381 Y HN -0.182 nan 8.280 nan 0.000 0.515 382 K N -0.462 119.819 120.400 -0.199 0.000 2.103 382 K HA -0.144 4.176 4.320 0.000 0.000 0.207 382 K C 2.095 178.579 176.600 -0.195 0.000 1.048 382 K CA 1.643 57.763 56.287 -0.278 0.000 0.930 382 K CB -0.211 32.211 32.500 -0.131 0.000 0.716 382 K HN 0.305 nan 8.250 nan 0.000 0.444 383 S N 0.798 116.434 115.700 -0.106 0.000 2.453 383 S HA 0.001 4.471 4.470 0.000 0.000 0.231 383 S C 1.664 176.223 174.600 -0.068 0.000 1.005 383 S CA 0.551 58.708 58.200 -0.072 0.000 0.949 383 S CB 0.063 63.240 63.200 -0.038 0.000 0.774 383 S HN 0.259 nan 8.310 nan 0.000 0.510 384 L N 0.682 121.861 121.223 -0.073 0.000 2.253 384 L HA 0.045 4.385 4.340 0.000 0.000 0.205 384 L C 2.552 179.375 176.870 -0.078 0.000 1.078 384 L CA 0.493 55.309 54.840 -0.041 0.000 0.805 384 L CB -0.355 41.723 42.059 0.031 0.000 0.963 384 L HN 0.256 nan 8.230 nan 0.000 0.459 385 Q N 0.339 120.020 119.800 -0.198 0.000 2.124 385 Q HA -0.323 4.017 4.340 0.000 0.000 0.215 385 Q C 1.576 177.510 176.000 -0.109 0.000 1.015 385 Q CA 2.435 58.103 55.803 -0.225 0.000 0.890 385 Q CB -0.136 28.362 28.738 -0.401 0.000 0.966 385 Q HN 0.516 nan 8.270 nan 0.000 0.412 386 D N -0.377 119.962 120.400 -0.101 0.000 2.183 386 D HA -0.083 4.557 4.640 0.000 0.000 0.203 386 D C 1.840 178.116 176.300 -0.040 0.000 0.969 386 D CA 0.856 54.817 54.000 -0.064 0.000 0.842 386 D CB -0.165 40.598 40.800 -0.062 0.000 0.957 386 D HN 0.353 nan 8.370 nan 0.000 0.484 387 I N 1.302 121.851 120.570 -0.036 0.000 2.252 387 I HA -0.170 4.000 4.170 0.000 0.000 0.245 387 I C 2.471 178.582 176.117 -0.009 0.000 1.102 387 I CA 0.826 62.114 61.300 -0.019 0.000 1.385 387 I CB -0.355 37.636 38.000 -0.015 0.000 1.064 387 I HN -0.001 nan 8.210 nan 0.000 0.414 388 I N -0.921 119.646 120.570 -0.004 0.000 3.059 388 I HA 0.081 4.251 4.170 0.000 0.000 0.270 388 I C 2.501 178.622 176.117 0.008 0.000 1.238 388 I CA 0.879 62.185 61.300 0.010 0.000 1.478 388 I CB -0.508 37.511 38.000 0.031 0.000 1.097 388 I HN 0.013 nan 8.210 nan 0.000 0.455 389 A N 1.816 124.634 122.820 -0.004 0.000 2.070 389 A HA 0.021 4.341 4.320 0.000 0.000 0.220 389 A C 2.230 179.811 177.584 -0.004 0.000 1.159 389 A CA 1.509 53.543 52.037 -0.005 0.000 0.656 389 A CB -0.526 18.464 19.000 -0.017 0.000 0.800 389 A HN 0.594 nan 8.150 nan 0.000 0.453 390 I N -1.762 118.805 120.570 -0.005 0.000 3.194 390 I HA 0.039 4.209 4.170 0.000 0.000 0.271 390 I C 1.843 177.959 176.117 -0.001 0.000 1.150 390 I CA 0.355 61.653 61.300 -0.004 0.000 1.440 390 I CB -0.110 37.885 38.000 -0.007 0.000 1.276 390 I HN 0.142 nan 8.210 nan 0.000 0.457 391 L N 0.960 122.183 121.223 0.000 0.000 2.418 391 L HA 0.272 4.612 4.340 0.000 0.000 0.218 391 L C 0.801 177.674 176.870 0.005 0.000 1.125 391 L CA 0.309 55.150 54.840 0.002 0.000 0.835 391 L CB -0.642 41.418 42.059 0.002 0.000 0.953 391 L HN 0.429 nan 8.230 nan 0.000 0.454 392 G N -0.159 108.645 108.800 0.008 0.000 2.719 392 G HA2 -0.278 3.682 3.960 0.000 0.000 0.686 392 G HA3 -0.278 3.682 3.960 0.000 0.000 0.686 392 G C 0.036 174.945 174.900 0.016 0.000 1.201 392 G CA -0.055 45.052 45.100 0.011 0.000 0.768 392 G HN 0.042 nan 8.290 nan 0.000 0.629 393 M N 0.704 120.316 119.600 0.021 0.000 2.202 393 M HA -0.045 4.435 4.480 0.000 0.000 0.262 393 M C 1.966 178.277 176.300 0.018 0.000 1.063 393 M CA 2.786 58.101 55.300 0.025 0.000 1.097 393 M CB -0.203 32.413 32.600 0.026 0.000 1.382 393 M HN 0.612 nan 8.290 nan 0.000 0.413 394 D N 0.046 120.454 120.400 0.014 0.000 2.263 394 D HA -0.158 4.482 4.640 0.000 0.000 0.208 394 D C 1.719 178.025 176.300 0.010 0.000 0.971 394 D CA 0.952 54.958 54.000 0.011 0.000 0.867 394 D CB -0.268 40.538 40.800 0.009 0.000 0.929 394 D HN 0.492 nan 8.370 nan 0.000 0.492 395 E N 0.244 120.451 120.200 0.010 0.000 2.347 395 E HA 0.016 4.366 4.350 0.000 0.000 0.196 395 E C 0.963 177.569 176.600 0.010 0.000 1.008 395 E CA 0.022 56.427 56.400 0.009 0.000 0.852 395 E CB 0.198 29.903 29.700 0.008 0.000 0.783 395 E HN 0.380 nan 8.360 nan 0.000 0.505 396 L N 1.183 122.414 121.223 0.013 0.000 2.439 396 L HA 0.059 4.399 4.340 0.000 0.000 0.269 396 L C 1.024 177.901 176.870 0.011 0.000 1.179 396 L CA -0.261 54.588 54.840 0.015 0.000 0.828 396 L CB 0.805 42.877 42.059 0.021 0.000 1.106 396 L HN -0.066 nan 8.230 nan 0.000 0.467 397 S N 1.023 116.729 115.700 0.010 0.000 2.576 397 S HA -0.012 4.458 4.470 0.000 0.000 0.272 397 S C 1.164 175.769 174.600 0.008 0.000 1.352 397 S CA -0.479 57.725 58.200 0.008 0.000 1.021 397 S CB 0.703 63.907 63.200 0.007 0.000 0.887 397 S HN 0.626 nan 8.310 nan 0.000 0.542 398 E N 1.775 121.978 120.200 0.005 0.000 2.267 398 E HA -0.114 4.236 4.350 0.000 0.000 0.197 398 E C 1.784 178.385 176.600 0.003 0.000 0.998 398 E CA 0.945 57.348 56.400 0.004 0.000 0.830 398 E CB -0.107 29.595 29.700 0.003 0.000 0.751 398 E HN 0.654 nan 8.360 nan 0.000 0.491 399 E N 0.690 120.893 120.200 0.004 0.000 2.046 399 E HA -0.140 4.210 4.350 0.000 0.000 0.190 399 E C 1.643 178.246 176.600 0.006 0.000 0.982 399 E CA 0.792 57.194 56.400 0.003 0.000 0.800 399 E CB -0.057 29.645 29.700 0.004 0.000 0.756 399 E HN 0.189 nan 8.360 nan 0.000 0.449 400 D N 0.892 121.298 120.400 0.010 0.000 2.117 400 D HA -0.131 4.509 4.640 0.000 0.000 0.198 400 D C 1.942 178.252 176.300 0.017 0.000 0.982 400 D CA 1.288 55.299 54.000 0.018 0.000 0.828 400 D CB -0.002 40.812 40.800 0.023 0.000 0.967 400 D HN 0.237 nan 8.370 nan 0.000 0.464 401 K N 0.027 120.434 120.400 0.011 0.000 2.365 401 K HA -0.050 4.270 4.320 0.000 0.000 0.199 401 K C 1.987 178.579 176.600 -0.013 0.000 1.045 401 K CA 0.448 56.737 56.287 0.005 0.000 0.962 401 K CB -0.175 32.329 32.500 0.007 0.000 0.759 401 K HN 0.058 nan 8.250 nan 0.000 0.469 402 L N 2.584 123.800 121.223 -0.012 0.000 2.093 402 L HA -0.101 4.240 4.340 0.000 0.000 0.208 402 L C 2.386 179.234 176.870 -0.037 0.000 1.085 402 L CA 2.212 57.040 54.840 -0.020 0.000 0.755 402 L CB -0.595 41.457 42.059 -0.011 0.000 0.904 402 L HN 0.511 nan 8.230 nan 0.000 0.435 403 T N -4.894 109.644 114.554 -0.026 0.000 3.023 403 T HA -0.039 4.311 4.350 0.000 0.000 0.266 403 T C 1.793 176.449 174.700 -0.073 0.000 1.093 403 T CA 1.025 63.105 62.100 -0.033 0.000 1.129 403 T CB -0.648 68.220 68.868 0.000 0.000 0.899 403 T HN 0.100 nan 8.240 nan 0.000 0.491 404 V N 2.758 122.627 119.914 -0.073 0.000 2.270 404 V HA -0.150 3.970 4.120 0.000 0.000 0.245 404 V C 3.239 179.156 176.094 -0.294 0.000 1.043 404 V CA 2.084 64.276 62.300 -0.180 0.000 1.014 404 V CB -0.994 30.806 31.823 -0.039 0.000 0.645 404 V HN 0.769 nan 8.190 nan 0.000 0.447 405 S N 0.508 116.108 115.700 -0.166 0.000 2.370 405 S HA -0.276 4.194 4.470 0.000 0.000 0.226 405 S C 2.101 176.588 174.600 -0.188 0.000 1.033 405 S CA 1.689 59.796 58.200 -0.154 0.000 1.011 405 S CB -0.543 62.608 63.200 -0.081 0.000 0.852 405 S HN 0.533 nan 8.310 nan 0.000 0.457 406 R N 1.321 121.724 120.500 -0.162 0.000 2.081 406 R HA 0.058 4.398 4.340 0.000 0.000 0.235 406 R C 2.819 179.004 176.300 -0.192 0.000 1.131 406 R CA 1.362 57.361 56.100 -0.168 0.000 0.960 406 R CB -0.846 29.392 30.300 -0.103 0.000 0.856 406 R HN 0.600 nan 8.270 nan 0.000 0.436 407 A N 1.043 123.736 122.820 -0.212 0.000 1.933 407 A HA -0.176 4.144 4.320 0.000 0.000 0.218 407 A C 2.037 179.464 177.584 -0.262 0.000 1.175 407 A CA 1.289 53.200 52.037 -0.211 0.000 0.628 407 A CB -0.345 18.505 19.000 -0.251 0.000 0.814 407 A HN 0.236 nan 8.150 nan 0.000 0.444 408 R N -0.491 119.775 120.500 -0.391 0.000 2.148 408 R HA -0.049 4.291 4.340 0.000 0.000 0.227 408 R C 2.052 178.261 176.300 -0.152 0.000 1.103 408 R CA 1.432 57.368 56.100 -0.273 0.000 0.983 408 R CB -0.164 29.965 30.300 -0.285 0.000 0.874 408 R HN 0.505 nan 8.270 nan 0.000 0.451 409 K N 0.392 120.651 120.400 -0.235 0.000 2.076 409 K HA -0.007 4.313 4.320 0.000 0.000 0.204 409 K C 1.971 178.408 176.600 -0.271 0.000 1.051 409 K CA 0.960 57.012 56.287 -0.392 0.000 0.949 409 K CB 0.014 32.004 32.500 -0.851 0.000 0.726 409 K HN 0.076 nan 8.250 nan 0.000 0.443 410 I N 1.546 122.030 120.570 -0.142 0.000 2.226 410 I HA -0.321 3.849 4.170 0.000 0.000 0.245 410 I C 2.425 178.680 176.117 0.231 0.000 1.100 410 I CA 1.359 62.734 61.300 0.126 0.000 1.374 410 I CB -0.177 37.923 38.000 0.168 0.000 1.057 410 I HN 0.232 nan 8.210 nan 0.000 0.413 411 Q N 0.231 120.101 119.800 0.116 0.000 2.112 411 Q HA -0.257 4.083 4.340 0.000 0.000 0.206 411 Q C 2.395 178.498 176.000 0.171 0.000 0.987 411 Q CA 1.717 57.598 55.803 0.131 0.000 0.858 411 Q CB -0.146 28.649 28.738 0.094 0.000 0.905 411 Q HN 0.463 nan 8.270 nan 0.000 0.420 412 R N -0.694 119.913 120.500 0.178 0.000 2.090 412 R HA -0.084 4.256 4.340 0.000 0.000 0.228 412 R C 1.938 178.420 176.300 0.303 0.000 1.110 412 R CA 0.901 57.165 56.100 0.273 0.000 0.973 412 R CB -0.181 30.301 30.300 0.303 0.000 0.869 412 R HN 0.166 nan 8.270 nan 0.000 0.440 413 F N 1.075 121.092 119.950 0.111 0.000 2.451 413 F HA -0.002 4.525 4.527 0.000 0.000 0.299 413 F C 1.515 177.425 175.800 0.184 0.000 1.101 413 F CA 0.878 58.902 58.000 0.041 0.000 1.436 413 F CB 0.053 38.906 39.000 -0.246 0.000 1.074 413 F HN -0.064 nan 8.300 nan 0.000 0.553 414 L N -0.489 120.910 121.223 0.293 0.000 2.217 414 L HA -0.070 4.270 4.340 0.000 0.000 0.211 414 L C 1.552 178.449 176.870 0.046 0.000 1.107 414 L CA 0.523 55.495 54.840 0.219 0.000 0.783 414 L CB -0.848 41.321 42.059 0.182 0.000 0.919 414 L HN 0.127 nan 8.230 nan 0.000 0.442 415 S N -0.274 115.441 115.700 0.025 0.000 2.593 415 S HA 0.288 4.758 4.470 0.000 0.000 0.269 415 S C -0.310 174.198 174.600 -0.154 0.000 1.334 415 S CA -0.445 57.716 58.200 -0.065 0.000 1.015 415 S CB 1.784 64.950 63.200 -0.058 0.000 0.912 415 S HN 0.293 nan 8.310 nan 0.000 0.541 416 Q N 0.574 120.252 119.800 -0.203 0.000 2.403 416 Q HA 0.391 4.731 4.340 0.000 0.000 0.267 416 Q C -3.126 172.758 176.000 -0.193 0.000 0.991 416 Q CA -1.836 53.871 55.803 -0.159 0.000 0.906 416 Q CB 2.334 31.069 28.738 -0.006 0.000 1.422 416 Q HN 0.565 nan 8.270 nan 0.000 0.400 417 P HA 0.192 nan 4.420 nan 0.000 0.282 417 P C -1.001 176.429 177.300 0.217 0.000 1.262 417 P CA 0.227 63.307 63.100 -0.033 0.000 0.773 417 P CB 0.256 31.940 31.700 -0.026 0.000 0.879 418 F N 1.424 121.382 119.950 0.013 0.000 2.379 418 F HA 0.201 4.728 4.527 0.000 0.000 0.332 418 F C 2.299 178.112 175.800 0.021 0.000 1.096 418 F CA -0.751 57.263 58.000 0.024 0.000 1.105 418 F CB 1.693 40.720 39.000 0.044 0.000 1.189 418 F HN 0.391 nan 8.300 nan 0.000 0.515 419 Q N 1.422 121.319 119.800 0.162 0.000 2.124 419 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 419 Q C 1.801 177.840 176.000 0.067 0.000 0.977 419 Q CA 1.781 57.628 55.803 0.073 0.000 0.850 419 Q CB 0.034 28.780 28.738 0.014 0.000 0.901 419 Q HN 0.696 nan 8.270 nan 0.000 0.429 420 V N -2.958 117.013 119.914 0.096 0.000 3.510 420 V HA 0.225 4.345 4.120 0.000 0.000 0.270 420 V C 1.209 177.389 176.094 0.144 0.000 1.201 420 V CA 1.120 63.475 62.300 0.091 0.000 1.166 420 V CB -0.066 31.811 31.823 0.089 0.000 0.825 420 V HN 0.301 nan 8.190 nan 0.000 0.484 421 A N -0.529 122.411 122.820 0.200 0.000 2.538 421 A HA 0.365 4.685 4.320 0.000 0.000 0.269 421 A C 1.657 179.278 177.584 0.062 0.000 1.231 421 A CA 0.206 52.398 52.037 0.259 0.000 0.948 421 A CB -0.149 19.044 19.000 0.321 0.000 1.110 421 A HN 0.505 nan 8.150 nan 0.000 0.529 422 E N 0.161 120.351 120.200 -0.015 0.000 2.118 422 E HA -0.190 4.160 4.350 0.000 0.000 0.195 422 E C 1.852 178.368 176.600 -0.141 0.000 0.992 422 E CA 1.747 58.123 56.400 -0.040 0.000 0.804 422 E CB -0.320 29.359 29.700 -0.035 0.000 0.741 422 E HN 0.655 nan 8.360 nan 0.000 0.458 423 V N -1.790 117.912 119.914 -0.354 0.000 3.241 423 V HA -0.119 4.001 4.120 0.000 0.000 0.269 423 V C 1.449 177.258 176.094 -0.475 0.000 1.151 423 V CA 1.281 63.300 62.300 -0.468 0.000 1.158 423 V CB -0.774 30.685 31.823 -0.607 0.000 0.764 423 V HN 0.150 nan 8.190 nan 0.000 0.508 424 F N 1.332 121.274 119.950 -0.014 0.000 2.553 424 F HA 0.122 4.649 4.527 0.000 0.000 0.282 424 F C 2.631 178.432 175.800 0.003 0.000 1.089 424 F CA 0.743 58.722 58.000 -0.034 0.000 1.411 424 F CB -0.344 38.588 39.000 -0.114 0.000 1.125 424 F HN 0.214 nan 8.300 nan 0.000 0.610 425 T N -2.981 111.682 114.554 0.183 0.000 2.976 425 T HA 0.324 4.674 4.350 0.000 0.000 0.257 425 T C 1.964 176.813 174.700 0.249 0.000 1.051 425 T CA 0.889 63.126 62.100 0.227 0.000 1.141 425 T CB -0.150 68.841 68.868 0.207 0.000 0.881 425 T HN 0.431 nan 8.240 nan 0.000 0.461 426 G N 1.093 109.953 108.800 0.100 0.000 2.176 426 G HA2 -0.206 3.754 3.960 0.000 0.000 0.253 426 G HA3 -0.206 3.754 3.960 0.000 0.000 0.253 426 G C -0.131 174.680 174.900 -0.148 0.000 0.979 426 G CA 0.292 45.371 45.100 -0.034 0.000 0.641 426 G HN 0.823 nan 8.290 nan 0.000 0.530 427 H N -1.087 117.983 119.070 -0.001 0.000 2.529 427 H HA 0.676 5.232 4.556 0.000 0.000 0.348 427 H C 0.281 175.607 175.328 -0.003 0.000 1.152 427 H CA -0.863 55.182 56.048 -0.006 0.000 1.202 427 H CB 1.574 31.325 29.762 -0.017 0.000 1.562 427 H HN 0.203 nan 8.280 nan 0.000 0.515 428 L N 1.665 122.951 121.223 0.106 0.000 2.456 428 L HA 0.235 4.575 4.340 0.000 0.000 0.272 428 L C 1.001 177.920 176.870 0.082 0.000 1.189 428 L CA 0.418 55.297 54.840 0.065 0.000 0.846 428 L CB 0.408 42.490 42.059 0.038 0.000 1.111 428 L HN 0.869 nan 8.230 nan 0.000 0.475 429 G N 3.706 112.548 108.800 0.070 0.000 2.491 429 G HA2 0.264 4.224 3.960 0.000 0.000 0.238 429 G HA3 0.264 4.224 3.960 0.000 0.000 0.238 429 G C -0.630 174.310 174.900 0.068 0.000 1.277 429 G CA -0.462 44.691 45.100 0.088 0.000 0.851 429 G HN 0.474 nan 8.290 nan 0.000 0.573 430 K N 0.992 121.442 120.400 0.084 0.000 2.427 430 K HA 0.400 4.720 4.320 0.000 0.000 0.252 430 K C -1.255 175.375 176.600 0.050 0.000 0.931 430 K CA -0.697 55.622 56.287 0.054 0.000 0.793 430 K CB 2.816 35.339 32.500 0.038 0.000 1.211 430 K HN 0.392 nan 8.250 nan 0.000 0.426 431 L N 2.433 123.670 121.223 0.024 0.000 2.333 431 L HA 0.463 4.803 4.340 0.000 0.000 0.280 431 L C -1.135 175.743 176.870 0.013 0.000 1.004 431 L CA -0.883 53.962 54.840 0.009 0.000 0.820 431 L CB 1.585 43.641 42.059 -0.005 0.000 1.247 431 L HN 0.254 nan 8.230 nan 0.000 0.416 432 V N 5.996 125.917 119.914 0.012 0.000 2.384 432 V HA 0.427 4.547 4.120 0.000 0.000 0.287 432 V C -2.098 174.008 176.094 0.020 0.000 1.020 432 V CA -1.770 60.540 62.300 0.017 0.000 0.850 432 V CB 1.296 33.123 31.823 0.005 0.000 0.987 432 V HN 0.684 nan 8.190 nan 0.000 0.436 433 P HA 0.056 nan 4.420 nan 0.000 0.267 433 P C 0.798 178.114 177.300 0.026 0.000 1.200 433 P CA -0.236 62.880 63.100 0.026 0.000 0.772 433 P CB 0.744 32.462 31.700 0.029 0.000 0.855 434 L N 3.903 125.135 121.223 0.016 0.000 2.012 434 L HA -0.209 4.131 4.340 0.000 0.000 0.210 434 L C 2.186 179.049 176.870 -0.011 0.000 1.073 434 L CA 2.018 56.854 54.840 -0.007 0.000 0.748 434 L CB -0.900 41.158 42.059 -0.001 0.000 0.891 434 L HN 0.307 nan 8.230 nan 0.000 0.431 435 K N -0.546 119.862 120.400 0.013 0.000 2.074 435 K HA -0.240 4.080 4.320 0.000 0.000 0.209 435 K C 1.953 178.584 176.600 0.050 0.000 1.048 435 K CA 2.161 58.463 56.287 0.025 0.000 0.926 435 K CB -0.148 32.372 32.500 0.033 0.000 0.713 435 K HN 0.571 nan 8.250 nan 0.000 0.444 436 E N -0.671 119.567 120.200 0.064 0.000 2.107 436 E HA -0.107 4.243 4.350 0.000 0.000 0.191 436 E C 1.991 178.685 176.600 0.156 0.000 0.982 436 E CA 1.335 57.794 56.400 0.098 0.000 0.809 436 E CB 0.003 29.755 29.700 0.088 0.000 0.756 436 E HN 0.334 nan 8.360 nan 0.000 0.459 437 T N 1.862 116.502 114.554 0.143 0.000 2.652 437 T HA -0.164 4.186 4.350 0.000 0.000 0.267 437 T C 2.037 176.936 174.700 0.332 0.000 1.039 437 T CA 1.102 63.346 62.100 0.240 0.000 1.153 437 T CB -0.267 68.681 68.868 0.133 0.000 0.863 437 T HN 0.095 nan 8.240 nan 0.000 0.428 438 I N 0.839 121.490 120.570 0.136 0.000 2.127 438 I HA -0.235 3.935 4.170 0.000 0.000 0.241 438 I C 2.669 178.889 176.117 0.171 0.000 1.075 438 I CA 1.510 62.870 61.300 0.100 0.000 1.334 438 I CB -0.380 37.599 38.000 -0.035 0.000 1.040 438 I HN 0.205 nan 8.210 nan 0.000 0.405 439 K N 1.055 121.537 120.400 0.138 0.000 2.009 439 K HA -0.199 4.121 4.320 0.000 0.000 0.210 439 K C 2.152 178.840 176.600 0.145 0.000 1.049 439 K CA 1.891 58.252 56.287 0.124 0.000 0.929 439 K CB -0.527 32.032 32.500 0.099 0.000 0.714 439 K HN 0.411 nan 8.250 nan 0.000 0.440 440 G N 0.347 109.250 108.800 0.173 0.000 2.446 440 G HA2 -0.249 3.712 3.960 0.000 0.000 0.217 440 G HA3 -0.249 3.712 3.960 0.000 0.000 0.217 440 G C 1.315 176.187 174.900 -0.045 0.000 1.168 440 G CA 0.947 46.076 45.100 0.049 0.000 0.771 440 G HN 0.299 nan 8.290 nan 0.000 0.551 441 F N 0.422 120.501 119.950 0.215 0.000 2.206 441 F HA 0.030 4.557 4.527 0.000 0.000 0.298 441 F C 2.922 178.767 175.800 0.075 0.000 1.090 441 F CA 1.429 59.520 58.000 0.152 0.000 1.323 441 F CB -0.287 38.808 39.000 0.158 0.000 1.028 441 F HN 0.145 nan 8.300 nan 0.000 0.492 442 Q N 0.284 120.224 119.800 0.234 0.000 2.061 442 Q HA -0.282 4.058 4.340 0.000 0.000 0.204 442 Q C 2.160 178.209 176.000 0.082 0.000 0.984 442 Q CA 2.008 57.891 55.803 0.133 0.000 0.846 442 Q CB -0.117 28.685 28.738 0.108 0.000 0.902 442 Q HN 0.496 nan 8.270 nan 0.000 0.421 443 Q N -0.225 119.622 119.800 0.079 0.000 2.079 443 Q HA -0.133 4.207 4.340 0.000 0.000 0.200 443 Q C 2.114 178.127 176.000 0.023 0.000 0.974 443 Q CA 1.386 57.207 55.803 0.031 0.000 0.840 443 Q CB -0.042 28.756 28.738 0.099 0.000 0.898 443 Q HN 0.467 nan 8.270 nan 0.000 0.430 444 I N 0.559 121.173 120.570 0.073 0.000 2.226 444 I HA -0.293 3.877 4.170 0.000 0.000 0.245 444 I C 2.140 178.252 176.117 -0.010 0.000 1.100 444 I CA 1.068 62.378 61.300 0.016 0.000 1.374 444 I CB -0.280 37.625 38.000 -0.159 0.000 1.057 444 I HN 0.194 nan 8.210 nan 0.000 0.413 445 L N 0.673 121.913 121.223 0.028 0.000 2.046 445 L HA -0.188 4.152 4.340 0.000 0.000 0.208 445 L C 2.669 179.541 176.870 0.003 0.000 1.077 445 L CA 1.314 56.169 54.840 0.025 0.000 0.747 445 L CB -0.637 41.455 42.059 0.056 0.000 0.896 445 L HN 0.248 nan 8.230 nan 0.000 0.432 446 A N -0.458 122.360 122.820 -0.003 0.000 2.209 446 A HA 0.145 4.465 4.320 0.000 0.000 0.212 446 A C 1.750 179.311 177.584 -0.038 0.000 1.158 446 A CA 0.906 52.931 52.037 -0.020 0.000 0.742 446 A CB -0.664 18.319 19.000 -0.028 0.000 0.790 446 A HN 0.586 nan 8.150 nan 0.000 0.472 447 G N -0.801 107.976 108.800 -0.039 0.000 2.136 447 G HA2 -0.262 3.698 3.960 0.000 0.000 0.242 447 G HA3 -0.262 3.698 3.960 0.000 0.000 0.242 447 G C 0.412 175.276 174.900 -0.060 0.000 0.989 447 G CA 0.509 45.588 45.100 -0.034 0.000 0.682 447 G HN 0.616 nan 8.290 nan 0.000 0.522 448 E N -1.101 119.003 120.200 -0.160 0.000 2.478 448 E HA 0.042 4.392 4.350 0.000 0.000 0.198 448 E C 0.650 176.963 176.600 -0.478 0.000 1.046 448 E CA 0.709 56.894 56.400 -0.358 0.000 0.870 448 E CB 0.002 29.381 29.700 -0.535 0.000 0.818 448 E HN 0.806 nan 8.360 nan 0.000 0.527 449 Y N -0.723 119.650 120.300 0.123 0.000 2.721 449 Y HA 0.132 4.682 4.550 0.000 0.000 0.251 449 Y C 0.719 176.659 175.900 0.066 0.000 1.136 449 Y CA -0.614 57.553 58.100 0.112 0.000 1.142 449 Y CB 0.692 39.269 38.460 0.196 0.000 1.212 449 Y HN -0.112 nan 8.280 nan 0.000 0.565 450 D N 0.106 120.637 120.400 0.218 0.000 2.263 450 D HA -0.171 4.469 4.640 0.000 0.000 0.208 450 D C 2.003 178.399 176.300 0.160 0.000 0.971 450 D CA 1.460 55.541 54.000 0.135 0.000 0.867 450 D CB -0.062 40.792 40.800 0.089 0.000 0.929 450 D HN 0.611 nan 8.370 nan 0.000 0.492 451 H N -0.667 118.454 119.070 0.086 0.000 2.548 451 H HA 0.117 4.673 4.556 0.000 0.000 0.268 451 H C 0.803 176.186 175.328 0.093 0.000 0.975 451 H CA -0.026 56.064 56.048 0.070 0.000 1.195 451 H CB -0.304 29.487 29.762 0.049 0.000 1.397 451 H HN 0.095 nan 8.280 nan 0.000 0.572 452 L N 3.339 124.402 121.223 -0.267 0.000 2.375 452 L HA 0.294 4.634 4.340 0.000 0.000 0.271 452 L C -1.982 174.906 176.870 0.030 0.000 1.107 452 L CA -2.042 52.694 54.840 -0.173 0.000 0.806 452 L CB 1.046 42.972 42.059 -0.221 0.000 1.146 452 L HN 0.038 nan 8.230 nan 0.000 0.447 453 P HA 0.040 nan 4.420 nan 0.000 0.271 453 P C 0.282 177.665 177.300 0.139 0.000 1.216 453 P CA -0.189 62.939 63.100 0.046 0.000 0.776 453 P CB 1.036 32.738 31.700 0.004 0.000 0.881 454 E N 1.436 121.723 120.200 0.144 0.000 2.108 454 E HA -0.292 4.058 4.350 0.000 0.000 0.203 454 E C 1.660 178.407 176.600 0.244 0.000 1.022 454 E CA 1.584 58.095 56.400 0.185 0.000 0.823 454 E CB 0.012 29.749 29.700 0.062 0.000 0.744 454 E HN 0.402 nan 8.360 nan 0.000 0.456 455 Q N -0.831 119.044 119.800 0.125 0.000 2.291 455 Q HA -0.061 4.279 4.340 0.000 0.000 0.205 455 Q C 1.952 178.012 176.000 0.100 0.000 0.970 455 Q CA 1.010 56.882 55.803 0.115 0.000 0.876 455 Q CB -0.087 28.686 28.738 0.059 0.000 0.935 455 Q HN 0.349 nan 8.270 nan 0.000 0.455 456 A N -0.400 122.401 122.820 -0.031 0.000 2.076 456 A HA -0.132 4.188 4.320 0.000 0.000 0.220 456 A C 1.548 178.933 177.584 -0.331 0.000 1.160 456 A CA 0.962 52.849 52.037 -0.250 0.000 0.653 456 A CB -0.613 18.100 19.000 -0.479 0.000 0.801 456 A HN 0.300 nan 8.150 nan 0.000 0.455 457 F N -2.685 117.265 119.950 0.000 0.000 2.743 457 F HA 0.165 4.693 4.527 0.000 0.000 0.297 457 F C 0.812 176.703 175.800 0.152 0.000 1.131 457 F CA -0.102 57.924 58.000 0.043 0.000 1.426 457 F CB -0.108 38.890 39.000 -0.002 0.000 1.116 457 F HN 0.291 nan 8.300 nan 0.000 0.583 458 Y N 1.245 121.632 120.300 0.146 0.000 2.359 458 Y HA 0.336 4.886 4.550 0.000 0.000 0.334 458 Y C 0.730 176.627 175.900 -0.004 0.000 1.058 458 Y CA -1.705 56.440 58.100 0.074 0.000 1.244 458 Y CB 0.496 38.985 38.460 0.048 0.000 1.187 458 Y HN 0.145 nan 8.280 nan 0.000 0.510 459 M N 4.918 124.103 119.600 -0.691 0.000 2.297 459 M HA -0.159 4.321 4.480 0.000 0.000 0.200 459 M C -1.696 174.374 176.300 -0.383 0.000 0.414 459 M CA 1.159 56.006 55.300 -0.754 0.000 0.449 459 M CB -1.671 30.173 32.600 -1.259 0.000 1.436 459 M HN 0.455 nan 8.290 nan 0.000 0.912 460 V N -2.924 116.879 119.914 -0.185 0.000 3.158 460 V HA 1.094 5.214 4.120 0.000 0.000 0.315 460 V C 0.932 176.987 176.094 -0.066 0.000 1.148 460 V CA -0.236 62.020 62.300 -0.074 0.000 1.042 460 V CB 1.354 33.181 31.823 0.006 0.000 1.101 460 V HN 0.420 nan 8.190 nan 0.000 0.448 461 G N 0.284 109.074 108.800 -0.016 0.000 2.908 461 G HA2 0.409 4.369 3.960 0.000 0.000 0.188 461 G HA3 0.409 4.369 3.960 0.000 0.000 0.188 461 G C -2.105 172.811 174.900 0.027 0.000 1.903 461 G CA -0.068 45.022 45.100 -0.017 0.000 0.883 461 G HN 0.773 nan 8.290 nan 0.000 0.515 462 P HA 0.182 nan 4.420 nan 0.000 0.274 462 P C 0.644 178.093 177.300 0.249 0.000 1.256 462 P CA -0.579 62.628 63.100 0.178 0.000 0.795 462 P CB 1.592 33.349 31.700 0.095 0.000 1.038 463 I N 0.699 121.399 120.570 0.217 0.000 2.454 463 I HA -0.235 3.935 4.170 0.000 0.000 0.254 463 I C 1.869 177.857 176.117 -0.216 0.000 1.156 463 I CA 1.710 62.912 61.300 -0.164 0.000 1.433 463 I CB -0.709 37.106 38.000 -0.308 0.000 1.082 463 I HN 0.265 nan 8.210 nan 0.000 0.432 464 E N 0.503 120.656 120.200 -0.078 0.000 2.160 464 E HA -0.226 4.124 4.350 0.000 0.000 0.195 464 E C 2.063 178.602 176.600 -0.102 0.000 0.991 464 E CA 1.381 57.735 56.400 -0.077 0.000 0.810 464 E CB -0.217 29.472 29.700 -0.017 0.000 0.742 464 E HN 0.579 nan 8.360 nan 0.000 0.466 465 E N -0.003 120.153 120.200 -0.073 0.000 2.152 465 E HA -0.106 4.244 4.350 0.000 0.000 0.192 465 E C 2.008 178.513 176.600 -0.157 0.000 0.983 465 E CA 0.739 57.094 56.400 -0.074 0.000 0.818 465 E CB -0.083 29.606 29.700 -0.019 0.000 0.758 465 E HN 0.281 nan 8.360 nan 0.000 0.467 466 A N 1.088 123.749 122.820 -0.265 0.000 1.873 466 A HA -0.131 4.189 4.320 0.000 0.000 0.215 466 A C 2.514 179.771 177.584 -0.545 0.000 1.186 466 A CA 1.053 52.776 52.037 -0.524 0.000 0.616 466 A CB -0.644 17.805 19.000 -0.919 0.000 0.823 466 A HN 0.097 nan 8.150 nan 0.000 0.442 467 V N 0.022 119.657 119.914 -0.465 0.000 2.287 467 V HA -0.279 3.841 4.120 0.000 0.000 0.248 467 V C 3.069 179.049 176.094 -0.190 0.000 1.053 467 V CA 2.075 64.189 62.300 -0.309 0.000 1.027 467 V CB -1.352 30.364 31.823 -0.179 0.000 0.646 467 V HN 0.611 nan 8.190 nan 0.000 0.447 468 A N -0.502 122.230 122.820 -0.147 0.000 1.933 468 A HA -0.276 4.044 4.320 0.000 0.000 0.218 468 A C 2.348 179.875 177.584 -0.095 0.000 1.175 468 A CA 2.210 54.191 52.037 -0.092 0.000 0.628 468 A CB -0.501 18.460 19.000 -0.065 0.000 0.814 468 A HN 0.532 nan 8.150 nan 0.000 0.444 469 K N -0.446 119.875 120.400 -0.132 0.000 2.148 469 K HA -0.019 4.301 4.320 0.000 0.000 0.204 469 K C 2.116 178.646 176.600 -0.118 0.000 1.050 469 K CA 0.971 57.192 56.287 -0.110 0.000 0.942 469 K CB -0.274 32.153 32.500 -0.123 0.000 0.724 469 K HN 0.393 nan 8.250 nan 0.000 0.446 470 A N 1.609 124.325 122.820 -0.174 0.000 1.933 470 A HA -0.185 4.135 4.320 0.000 0.000 0.218 470 A C 1.503 179.039 177.584 -0.080 0.000 1.175 470 A CA 1.959 53.906 52.037 -0.149 0.000 0.628 470 A CB -0.432 18.444 19.000 -0.206 0.000 0.814 470 A HN 0.356 nan 8.150 nan 0.000 0.444 471 D N -0.440 119.921 120.400 -0.067 0.000 2.117 471 D HA -0.122 4.518 4.640 0.000 0.000 0.198 471 D C 1.848 178.131 176.300 -0.028 0.000 0.982 471 D CA 1.448 55.428 54.000 -0.035 0.000 0.828 471 D CB -0.300 40.484 40.800 -0.028 0.000 0.967 471 D HN 0.551 nan 8.370 nan 0.000 0.464 472 K N 0.429 120.809 120.400 -0.033 0.000 2.097 472 K HA -0.019 4.301 4.320 0.000 0.000 0.205 472 K C 2.082 178.673 176.600 -0.015 0.000 1.050 472 K CA 0.505 56.780 56.287 -0.021 0.000 0.938 472 K CB -0.038 32.450 32.500 -0.020 0.000 0.718 472 K HN 0.084 nan 8.250 nan 0.000 0.442 473 L N 0.098 121.309 121.223 -0.021 0.000 2.376 473 L HA -0.049 4.291 4.340 0.000 0.000 0.219 473 L C 2.294 179.159 176.870 -0.009 0.000 1.133 473 L CA 0.534 55.367 54.840 -0.012 0.000 0.816 473 L CB -0.250 41.800 42.059 -0.016 0.000 0.933 473 L HN 0.235 nan 8.230 nan 0.000 0.449 474 A N -0.378 122.435 122.820 -0.012 0.000 1.832 474 A HA -0.037 4.283 4.320 0.000 0.000 0.214 474 A C 1.026 178.609 177.584 -0.002 0.000 1.204 474 A CA 1.288 53.322 52.037 -0.005 0.000 0.606 474 A CB 0.022 19.020 19.000 -0.004 0.000 0.849 474 A HN 0.345 nan 8.150 nan 0.000 0.445 475 E N 0.000 120.198 120.200 -0.003 0.000 2.725 475 E HA 0.000 4.350 4.350 0.000 0.000 0.291 475 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 475 E CB 0.000 29.700 29.700 0.000 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440