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 2hld_1_F DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.704 174.700 0.007 0.000 1.109 7 T CA 0.000 62.102 62.100 0.004 0.000 1.349 7 T CB 0.000 68.871 68.868 0.005 0.000 0.612 8 P HA 0.486 nan 4.420 nan 0.000 0.272 8 P C -0.623 176.696 177.300 0.032 0.000 1.223 8 P CA -0.559 62.553 63.100 0.019 0.000 0.784 8 P CB 0.607 32.321 31.700 0.024 0.000 0.923 9 I N 1.904 122.497 120.570 0.039 0.000 2.352 9 I HA 0.141 4.317 4.170 0.010 0.000 0.290 9 I C 0.930 177.160 176.117 0.188 0.000 1.036 9 I CA -0.071 61.274 61.300 0.074 0.000 1.336 9 I CB 0.919 38.911 38.000 -0.014 0.000 1.407 9 I HN 0.495 nan 8.210 nan 0.000 0.497 10 T N 2.274 116.956 114.554 0.213 0.000 2.912 10 T HA 0.852 5.208 4.350 0.010 0.000 0.288 10 T C -0.146 174.604 174.700 0.083 0.000 1.030 10 T CA -0.821 61.386 62.100 0.178 0.000 1.020 10 T CB 2.178 71.078 68.868 0.053 0.000 1.056 10 T HN 0.680 nan 8.240 nan 0.000 0.480 11 G N 0.631 109.247 108.800 -0.308 0.000 2.733 11 G HA2 0.681 4.646 3.960 0.010 0.000 0.288 11 G HA3 0.681 4.646 3.960 0.010 0.000 0.288 11 G C -1.623 173.028 174.900 -0.416 0.000 1.373 11 G CA -1.204 43.417 45.100 -0.798 0.000 0.895 11 G HN 0.783 nan 8.290 nan 0.000 0.479 12 K N -0.085 120.113 120.400 -0.336 0.000 2.207 12 K HA 0.526 4.851 4.320 0.010 0.000 0.255 12 K C -0.519 175.995 176.600 -0.144 0.000 0.941 12 K CA -0.749 55.438 56.287 -0.167 0.000 0.825 12 K CB 2.824 35.278 32.500 -0.076 0.000 1.119 12 K HN 0.210 nan 8.250 nan 0.000 0.430 13 V N 3.019 122.875 119.914 -0.097 0.000 2.493 13 V HA -0.078 4.048 4.120 0.010 0.000 0.292 13 V C 1.374 177.442 176.094 -0.043 0.000 1.016 13 V CA 0.748 63.011 62.300 -0.061 0.000 1.097 13 V CB 0.427 32.225 31.823 -0.041 0.000 0.947 13 V HN 1.054 nan 8.190 nan 0.000 0.479 14 T N 1.319 115.854 114.554 -0.032 0.000 3.014 14 T HA 0.563 4.919 4.350 0.010 0.000 0.250 14 T C 0.410 175.096 174.700 -0.024 0.000 1.060 14 T CA 0.469 62.550 62.100 -0.031 0.000 1.040 14 T CB 0.498 69.345 68.868 -0.036 0.000 0.971 14 T HN 1.037 nan 8.240 nan 0.000 0.497 15 A N 0.495 123.306 122.820 -0.015 0.000 2.555 15 A HA 0.655 4.980 4.320 0.010 0.000 0.297 15 A C -1.571 176.010 177.584 -0.005 0.000 1.060 15 A CA -0.723 51.308 52.037 -0.010 0.000 0.710 15 A CB 1.674 20.670 19.000 -0.006 0.000 1.282 15 A HN 0.291 nan 8.150 nan 0.000 0.399 16 V N 2.406 122.317 119.914 -0.005 0.000 2.482 16 V HA 0.556 4.682 4.120 0.010 0.000 0.295 16 V C -0.915 175.177 176.094 -0.002 0.000 1.026 16 V CA -0.107 62.192 62.300 -0.002 0.000 0.856 16 V CB 1.293 33.113 31.823 -0.004 0.000 1.001 16 V HN 0.688 nan 8.190 nan 0.000 0.424 17 I N 4.576 125.146 120.570 -0.000 0.000 2.493 17 I HA 0.686 4.862 4.170 0.010 0.000 0.279 17 I C 0.960 177.076 176.117 -0.001 0.000 1.045 17 I CA 0.272 61.571 61.300 -0.001 0.000 1.106 17 I CB 1.363 39.362 38.000 -0.001 0.000 1.216 17 I HN 0.851 nan 8.210 nan 0.000 0.459 18 G N 4.596 113.395 108.800 -0.002 0.000 2.596 18 G HA2 -0.360 3.605 3.960 0.010 0.000 0.304 18 G HA3 -0.360 3.605 3.960 0.010 0.000 0.304 18 G C 0.976 175.876 174.900 -0.000 0.000 1.189 18 G CA 0.567 45.666 45.100 -0.002 0.000 0.986 18 G HN 0.853 nan 8.290 nan 0.000 0.548 19 A N -0.565 122.255 122.820 -0.001 0.000 2.167 19 A HA 0.493 4.818 4.320 0.010 0.000 0.214 19 A C 1.038 178.626 177.584 0.007 0.000 1.151 19 A CA 1.246 53.284 52.037 0.003 0.000 0.735 19 A CB -0.091 18.909 19.000 -0.000 0.000 0.802 19 A HN 0.641 nan 8.150 nan 0.000 0.467 20 I N 1.099 121.673 120.570 0.006 0.000 2.315 20 I HA 0.317 4.492 4.170 0.010 0.000 0.291 20 I C -0.496 175.628 176.117 0.012 0.000 1.006 20 I CA -0.914 60.392 61.300 0.011 0.000 1.265 20 I CB 0.999 39.004 38.000 0.009 0.000 1.387 20 I HN -0.132 nan 8.210 nan 0.000 0.475 21 V N 5.812 125.737 119.914 0.019 0.000 2.487 21 V HA 0.391 4.517 4.120 0.010 0.000 0.298 21 V C -0.486 175.624 176.094 0.027 0.000 1.028 21 V CA -0.836 61.474 62.300 0.017 0.000 0.860 21 V CB 2.199 34.031 31.823 0.015 0.000 0.991 21 V HN 0.541 nan 8.190 nan 0.000 0.427 22 D N 3.108 123.521 120.400 0.021 0.000 2.198 22 D HA 0.589 5.234 4.640 0.010 0.000 0.245 22 D C -0.554 175.757 176.300 0.017 0.000 1.079 22 D CA 0.019 54.038 54.000 0.032 0.000 0.854 22 D CB 2.100 42.916 40.800 0.026 0.000 1.148 22 D HN 0.272 nan 8.370 nan 0.000 0.456 23 V N 2.346 122.279 119.914 0.032 0.000 2.588 23 V HA 0.244 4.370 4.120 0.010 0.000 0.304 23 V C -0.465 175.600 176.094 -0.048 0.000 1.042 23 V CA -0.870 61.396 62.300 -0.056 0.000 0.877 23 V CB 1.857 33.617 31.823 -0.104 0.000 0.996 23 V HN 0.531 nan 8.190 nan 0.000 0.425 24 H N 3.608 122.527 119.070 -0.253 0.000 2.463 24 H HA 0.688 5.250 4.556 0.010 0.000 0.332 24 H C -1.604 173.491 175.328 -0.389 0.000 1.127 24 H CA -0.807 55.133 56.048 -0.181 0.000 1.238 24 H CB 1.165 30.861 29.762 -0.110 0.000 1.478 24 H HN 0.447 nan 8.280 nan 0.000 0.499 25 F N 3.303 122.874 119.950 -0.631 0.000 2.493 25 F HA 0.209 4.742 4.527 0.010 0.000 0.329 25 F C 1.225 176.677 175.800 -0.580 0.000 1.126 25 F CA -0.682 57.039 58.000 -0.465 0.000 0.937 25 F CB 1.902 40.751 39.000 -0.252 0.000 1.146 25 F HN 0.607 nan 8.300 nan 0.000 0.442 26 E N 1.672 121.761 120.200 -0.186 0.000 2.058 26 E HA -0.164 4.192 4.350 0.010 0.000 0.194 26 E C 0.682 177.255 176.600 -0.044 0.000 0.997 26 E CA 1.205 57.542 56.400 -0.104 0.000 0.801 26 E CB -0.078 29.610 29.700 -0.021 0.000 0.746 26 E HN 0.814 nan 8.360 nan 0.000 0.450 27 Q N -1.111 118.679 119.800 -0.016 0.000 2.823 27 Q HA 0.421 4.767 4.340 0.010 0.000 0.230 27 Q C 1.305 177.287 176.000 -0.031 0.000 1.026 27 Q CA -0.297 55.497 55.803 -0.014 0.000 0.940 27 Q CB 0.473 29.208 28.738 -0.005 0.000 1.382 27 Q HN -0.170 nan 8.270 nan 0.000 0.502 28 S N -0.690 114.992 115.700 -0.031 0.000 2.400 28 S HA -0.120 4.356 4.470 0.010 0.000 0.232 28 S C -0.140 174.415 174.600 -0.074 0.000 1.025 28 S CA 1.321 59.496 58.200 -0.042 0.000 0.993 28 S CB -0.258 62.924 63.200 -0.030 0.000 0.808 28 S HN 0.506 nan 8.310 nan 0.000 0.478 29 E N 0.818 120.964 120.200 -0.089 0.000 2.152 29 E HA 0.463 4.819 4.350 0.010 0.000 0.285 29 E C -1.263 175.181 176.600 -0.260 0.000 1.043 29 E CA -0.065 56.254 56.400 -0.136 0.000 0.839 29 E CB 1.083 30.718 29.700 -0.109 0.000 1.069 29 E HN 0.158 nan 8.360 nan 0.000 0.399 30 L N 5.415 126.464 121.223 -0.290 0.000 2.334 30 L HA 0.458 4.804 4.340 0.010 0.000 0.276 30 L C -2.127 174.531 176.870 -0.353 0.000 1.014 30 L CA -2.112 52.447 54.840 -0.468 0.000 0.815 30 L CB 1.190 42.970 42.059 -0.466 0.000 1.268 30 L HN 0.445 nan 8.230 nan 0.000 0.428 31 P HA 0.191 nan 4.420 nan 0.000 0.271 31 P C -0.712 176.597 177.300 0.014 0.000 1.220 31 P CA -0.412 62.562 63.100 -0.211 0.000 0.768 31 P CB 0.804 32.364 31.700 -0.234 0.000 0.848 32 A N 4.454 127.273 122.820 -0.003 0.000 2.507 32 A HA 0.124 4.449 4.320 0.010 0.000 0.235 32 A C 0.714 178.271 177.584 -0.045 0.000 1.070 32 A CA -0.378 51.656 52.037 -0.007 0.000 0.768 32 A CB -0.474 18.502 19.000 -0.041 0.000 1.011 32 A HN 0.577 nan 8.150 nan 0.000 0.502 33 I N 1.089 121.566 120.570 -0.154 0.000 2.752 33 I HA -0.048 4.128 4.170 0.010 0.000 0.289 33 I C 0.696 176.730 176.117 -0.139 0.000 1.197 33 I CA 0.936 62.138 61.300 -0.163 0.000 1.432 33 I CB -0.000 37.865 38.000 -0.224 0.000 1.359 33 I HN 0.743 nan 8.210 nan 0.000 0.571 34 L N 2.214 123.356 121.223 -0.135 0.000 3.033 34 L HA -0.220 4.126 4.340 0.010 0.000 0.444 34 L C 0.199 177.025 176.870 -0.073 0.000 0.734 34 L CA -0.013 54.712 54.840 -0.192 0.000 2.664 34 L CB -1.421 40.429 42.059 -0.349 0.000 1.041 34 L HN 0.652 nan 8.230 nan 0.000 0.631 35 N N 1.403 120.082 118.700 -0.036 0.000 2.479 35 N HA 0.472 5.218 4.740 0.010 0.000 0.257 35 N C 0.314 175.839 175.510 0.026 0.000 1.232 35 N CA 0.917 53.966 53.050 -0.002 0.000 0.920 35 N CB 0.766 39.248 38.487 -0.007 0.000 1.105 35 N HN 0.314 nan 8.380 nan 0.000 0.444 36 A N 2.216 125.057 122.820 0.035 0.000 2.363 36 A HA 0.554 4.880 4.320 0.010 0.000 0.270 36 A C -0.162 177.452 177.584 0.051 0.000 1.121 36 A CA -0.407 51.657 52.037 0.046 0.000 0.800 36 A CB 0.031 19.056 19.000 0.041 0.000 1.052 36 A HN 0.613 nan 8.150 nan 0.000 0.493 37 L N 1.194 122.455 121.223 0.064 0.000 2.286 37 L HA 0.708 5.054 4.340 0.010 0.000 0.265 37 L C 0.018 176.923 176.870 0.058 0.000 1.012 37 L CA -0.693 54.194 54.840 0.079 0.000 0.818 37 L CB 1.662 43.795 42.059 0.122 0.000 1.337 37 L HN 0.721 nan 8.230 nan 0.000 0.438 38 E N 1.119 121.352 120.200 0.056 0.000 2.331 38 E HA 0.617 4.973 4.350 0.010 0.000 0.275 38 E C -1.509 175.108 176.600 0.028 0.000 0.895 38 E CA -0.571 55.850 56.400 0.036 0.000 0.753 38 E CB 3.358 33.076 29.700 0.031 0.000 1.216 38 E HN 0.377 nan 8.360 nan 0.000 0.434 39 I N 2.045 122.625 120.570 0.018 0.000 2.498 39 I HA 0.275 4.450 4.170 0.010 0.000 0.290 39 I C -0.472 175.650 176.117 0.007 0.000 1.032 39 I CA -0.863 60.442 61.300 0.008 0.000 1.073 39 I CB 1.874 39.876 38.000 0.003 0.000 1.251 39 I HN 0.183 nan 8.210 nan 0.000 0.426 40 K N 4.925 125.328 120.400 0.004 0.000 2.316 40 K HA 0.320 4.646 4.320 0.010 0.000 0.289 40 K C -0.084 176.517 176.600 0.001 0.000 1.070 40 K CA -0.267 56.023 56.287 0.004 0.000 0.928 40 K CB 0.795 33.297 32.500 0.003 0.000 1.039 40 K HN 0.642 nan 8.250 nan 0.000 0.480 41 T N -0.409 114.146 114.554 0.002 0.000 2.945 41 T HA 0.290 4.646 4.350 0.010 0.000 0.286 41 T C -1.520 173.180 174.700 0.001 0.000 1.025 41 T CA -1.943 60.158 62.100 0.001 0.000 1.039 41 T CB 1.512 70.382 68.868 0.002 0.000 1.068 41 T HN 0.262 nan 8.240 nan 0.000 0.497 42 P HA -0.118 nan 4.420 nan 0.000 0.218 42 P C 1.383 178.684 177.300 0.001 0.000 1.149 42 P CA 0.989 64.089 63.100 0.000 0.000 0.817 42 P CB 0.184 31.883 31.700 -0.001 0.000 0.785 43 Q N -0.365 119.435 119.800 0.001 0.000 1.948 43 Q HA -0.042 4.304 4.340 0.010 0.000 0.205 43 Q C 1.923 177.924 176.000 0.002 0.000 0.992 43 Q CA 2.278 58.081 55.803 0.001 0.000 0.849 43 Q CB -1.025 27.714 28.738 0.001 0.000 0.918 43 Q HN 0.379 nan 8.270 nan 0.000 0.421 44 G N -0.465 108.336 108.800 0.002 0.000 3.450 44 G HA2 0.232 4.198 3.960 0.010 0.000 0.147 44 G HA3 0.232 4.198 3.960 0.010 0.000 0.147 44 G C -1.064 173.838 174.900 0.004 0.000 1.269 44 G CA 0.104 45.206 45.100 0.003 0.000 1.388 44 G HN 0.211 nan 8.290 nan 0.000 0.731 45 K N -0.332 120.072 120.400 0.006 0.000 2.498 45 K HA 0.740 5.066 4.320 0.010 0.000 0.254 45 K C -2.009 174.596 176.600 0.010 0.000 0.933 45 K CA -0.832 55.459 56.287 0.008 0.000 0.806 45 K CB 2.793 35.298 32.500 0.009 0.000 1.301 45 K HN 0.523 nan 8.250 nan 0.000 0.432 46 L N 2.727 123.957 121.223 0.011 0.000 2.296 46 L HA 0.431 4.777 4.340 0.010 0.000 0.286 46 L C -1.345 175.537 176.870 0.019 0.000 1.023 46 L CA -0.450 54.398 54.840 0.013 0.000 0.812 46 L CB 1.831 43.897 42.059 0.011 0.000 1.223 46 L HN 0.557 nan 8.230 nan 0.000 0.421 47 V N 6.474 126.401 119.914 0.022 0.000 2.439 47 V HA 0.463 4.589 4.120 0.010 0.000 0.282 47 V C 0.140 176.254 176.094 0.034 0.000 1.039 47 V CA -0.448 61.869 62.300 0.028 0.000 0.913 47 V CB 1.387 33.226 31.823 0.027 0.000 0.983 47 V HN 0.663 nan 8.190 nan 0.000 0.460 48 L N 4.008 125.256 121.223 0.042 0.000 2.333 48 L HA 0.684 5.030 4.340 0.010 0.000 0.269 48 L C -0.236 176.667 176.870 0.056 0.000 1.010 48 L CA -0.503 54.366 54.840 0.048 0.000 0.818 48 L CB 2.141 44.232 42.059 0.053 0.000 1.306 48 L HN 0.655 nan 8.230 nan 0.000 0.430 49 E N 1.522 121.755 120.200 0.055 0.000 2.218 49 E HA 0.360 4.715 4.350 0.010 0.000 0.263 49 E C -1.356 175.271 176.600 0.044 0.000 0.879 49 E CA -0.744 55.688 56.400 0.054 0.000 0.762 49 E CB 2.104 31.846 29.700 0.071 0.000 1.166 49 E HN 0.335 nan 8.360 nan 0.000 0.415 50 V N 4.097 124.035 119.914 0.041 0.000 2.540 50 V HA 0.055 4.181 4.120 0.010 0.000 0.297 50 V C 0.972 177.066 176.094 -0.001 0.000 1.024 50 V CA 1.165 63.491 62.300 0.044 0.000 1.105 50 V CB 0.648 32.507 31.823 0.059 0.000 0.938 50 V HN 0.881 nan 8.190 nan 0.000 0.482 51 A N 4.345 127.172 122.820 0.012 0.000 2.013 51 A HA 0.302 4.628 4.320 0.010 0.000 0.204 51 A C 0.648 178.216 177.584 -0.027 0.000 1.262 51 A CA 0.295 52.323 52.037 -0.014 0.000 0.800 51 A CB 0.347 19.349 19.000 0.004 0.000 0.909 51 A HN 0.871 nan 8.150 nan 0.000 0.472 52 Q N -1.297 118.510 119.800 0.011 0.000 2.522 52 Q HA 0.433 4.778 4.340 0.010 0.000 0.285 52 Q C -1.695 174.388 176.000 0.138 0.000 0.982 52 Q CA -0.744 55.063 55.803 0.007 0.000 0.805 52 Q CB 0.916 29.665 28.738 0.018 0.000 1.457 52 Q HN 0.500 nan 8.270 nan 0.000 0.394 53 H N 1.308 120.385 119.070 0.012 0.000 2.690 53 H HA 0.258 4.820 4.556 0.010 0.000 0.289 53 H C 0.598 175.942 175.328 0.027 0.000 1.089 53 H CA -0.454 55.608 56.048 0.022 0.000 1.299 53 H CB 1.043 30.811 29.762 0.009 0.000 1.405 53 H HN 0.455 nan 8.280 nan 0.000 0.463 54 L N 2.935 124.247 121.223 0.149 0.000 2.362 54 L HA 0.045 4.391 4.340 0.010 0.000 0.219 54 L C 1.284 178.198 176.870 0.072 0.000 1.134 54 L CA 0.719 55.613 54.840 0.091 0.000 0.807 54 L CB -0.308 41.796 42.059 0.075 0.000 0.927 54 L HN 0.904 nan 8.230 nan 0.000 0.447 55 G N 0.034 108.877 108.800 0.071 0.000 2.712 55 G HA2 -0.198 3.768 3.960 0.010 0.000 0.683 55 G HA3 -0.198 3.768 3.960 0.010 0.000 0.683 55 G C 0.015 174.946 174.900 0.052 0.000 1.320 55 G CA -0.371 44.759 45.100 0.049 0.000 0.847 55 G HN 0.349 nan 8.290 nan 0.000 0.553 56 E N 0.012 120.241 120.200 0.049 0.000 2.328 56 E HA -0.271 4.085 4.350 0.010 0.000 0.233 56 E C 0.777 177.463 176.600 0.143 0.000 1.219 56 E CA 0.665 57.108 56.400 0.072 0.000 0.717 56 E CB -1.045 28.683 29.700 0.047 0.000 1.210 56 E HN 1.102 nan 8.360 nan 0.000 0.381 57 N N -1.383 117.372 118.700 0.091 0.000 2.714 57 N HA -0.151 4.595 4.740 0.010 0.000 0.250 57 N C -0.766 174.843 175.510 0.165 0.000 1.117 57 N CA 1.942 55.036 53.050 0.073 0.000 0.719 57 N CB -1.250 37.260 38.487 0.038 0.000 1.081 57 N HN 0.298 nan 8.380 nan 0.000 0.557 58 T N -0.266 114.383 114.554 0.157 0.000 2.856 58 T HA 0.655 5.011 4.350 0.010 0.000 0.283 58 T C 0.522 175.298 174.700 0.128 0.000 1.008 58 T CA -0.687 61.521 62.100 0.180 0.000 0.997 58 T CB 2.645 71.604 68.868 0.152 0.000 0.992 58 T HN 0.132 nan 8.240 nan 0.000 0.454 59 V N 1.123 121.141 119.914 0.174 0.000 2.815 59 V HA 0.790 4.916 4.120 0.010 0.000 0.314 59 V C -0.376 175.806 176.094 0.148 0.000 1.064 59 V CA -1.412 61.004 62.300 0.192 0.000 0.952 59 V CB 1.745 33.721 31.823 0.255 0.000 1.020 59 V HN 0.858 nan 8.190 nan 0.000 0.439 60 R N 2.137 122.715 120.500 0.130 0.000 2.338 60 R HA 0.721 5.067 4.340 0.010 0.000 0.317 60 R C -0.172 176.175 176.300 0.077 0.000 0.968 60 R CA 0.245 56.396 56.100 0.085 0.000 0.849 60 R CB 1.512 31.850 30.300 0.063 0.000 1.128 60 R HN 1.155 nan 8.270 nan 0.000 0.448 61 T N 1.363 115.956 114.554 0.065 0.000 2.942 61 T HA 0.554 4.909 4.350 0.010 0.000 0.289 61 T C 0.070 174.793 174.700 0.039 0.000 1.044 61 T CA -0.872 61.263 62.100 0.058 0.000 1.023 61 T CB 1.227 70.136 68.868 0.069 0.000 1.123 61 T HN 0.439 nan 8.240 nan 0.000 0.512 62 I N 1.665 122.257 120.570 0.036 0.000 2.378 62 I HA 0.571 4.747 4.170 0.010 0.000 0.291 62 I C 0.765 176.901 176.117 0.031 0.000 0.992 62 I CA -1.179 60.138 61.300 0.029 0.000 1.154 62 I CB 1.491 39.506 38.000 0.026 0.000 1.315 62 I HN 0.956 nan 8.210 nan 0.000 0.448 63 A N 6.865 129.700 122.820 0.024 0.000 2.366 63 A HA 0.443 4.768 4.320 0.010 0.000 0.249 63 A C 0.668 178.267 177.584 0.024 0.000 1.084 63 A CA -0.080 51.971 52.037 0.024 0.000 0.794 63 A CB 0.443 19.453 19.000 0.017 0.000 1.034 63 A HN 0.773 nan 8.150 nan 0.000 0.491 64 M N 0.282 119.897 119.600 0.025 0.000 2.313 64 M HA 0.236 4.721 4.480 0.010 0.000 0.273 64 M C -0.290 176.022 176.300 0.020 0.000 1.049 64 M CA 0.317 55.632 55.300 0.025 0.000 1.004 64 M CB -0.571 32.047 32.600 0.029 0.000 1.461 64 M HN 0.838 nan 8.290 nan 0.000 0.514 65 D N -0.984 119.426 120.400 0.016 0.000 2.825 65 D HA 0.490 5.135 4.640 0.010 0.000 0.327 65 D C -0.357 175.949 176.300 0.010 0.000 1.277 65 D CA -0.152 53.855 54.000 0.013 0.000 0.950 65 D CB 1.161 41.968 40.800 0.012 0.000 1.438 65 D HN 0.110 nan 8.370 nan 0.000 0.526 66 G N -1.056 107.749 108.800 0.007 0.000 2.562 66 G HA2 0.322 4.288 3.960 0.010 0.000 0.233 66 G HA3 0.322 4.288 3.960 0.010 0.000 0.233 66 G C 0.759 175.662 174.900 0.005 0.000 1.266 66 G CA 0.815 45.918 45.100 0.005 0.000 0.852 66 G HN 0.440 nan 8.290 nan 0.000 0.581 67 T N -1.780 112.776 114.554 0.003 0.000 3.040 67 T HA 0.196 4.552 4.350 0.010 0.000 0.266 67 T C 0.411 175.111 174.700 0.000 0.000 1.005 67 T CA -0.106 61.995 62.100 0.002 0.000 0.906 67 T CB 0.052 68.921 68.868 0.003 0.000 1.082 67 T HN 0.552 nan 8.240 nan 0.000 0.531 68 E N 1.817 122.017 120.200 0.000 0.000 3.417 68 E HA 0.259 4.615 4.350 0.010 0.000 0.279 68 E C 1.447 178.046 176.600 -0.001 0.000 0.851 68 E CA 1.551 57.951 56.400 -0.001 0.000 0.980 68 E CB -0.795 28.905 29.700 -0.000 0.000 0.934 68 E HN 0.587 nan 8.360 nan 0.000 0.541 69 G N 2.246 111.044 108.800 -0.002 0.000 2.232 69 G HA2 -0.295 3.671 3.960 0.010 0.000 0.226 69 G HA3 -0.295 3.671 3.960 0.010 0.000 0.226 69 G C 0.234 175.132 174.900 -0.004 0.000 0.996 69 G CA -0.182 44.916 45.100 -0.003 0.000 0.626 69 G HN 0.433 nan 8.290 nan 0.000 0.509 70 L N 1.400 122.620 121.223 -0.004 0.000 2.525 70 L HA 0.379 4.725 4.340 0.010 0.000 0.278 70 L C 0.565 177.430 176.870 -0.009 0.000 1.218 70 L CA 0.089 54.925 54.840 -0.006 0.000 0.878 70 L CB 0.990 43.046 42.059 -0.006 0.000 1.127 70 L HN 0.045 nan 8.230 nan 0.000 0.492 71 V N 4.442 124.349 119.914 -0.011 0.000 2.555 71 V HA 0.354 4.480 4.120 0.010 0.000 0.302 71 V C 0.276 176.360 176.094 -0.017 0.000 1.038 71 V CA -0.920 61.372 62.300 -0.013 0.000 0.887 71 V CB 1.836 33.652 31.823 -0.012 0.000 0.991 71 V HN 0.691 nan 8.190 nan 0.000 0.434 72 R N 2.343 122.832 120.500 -0.018 0.000 2.583 72 R HA 0.356 4.701 4.340 0.010 0.000 0.274 72 R C 1.345 177.630 176.300 -0.024 0.000 0.998 72 R CA 1.178 57.264 56.100 -0.022 0.000 1.081 72 R CB 0.050 30.337 30.300 -0.022 0.000 0.940 72 R HN 1.196 nan 8.270 nan 0.000 0.413 73 G N 1.523 110.305 108.800 -0.030 0.000 2.213 73 G HA2 -0.294 3.672 3.960 0.010 0.000 0.236 73 G HA3 -0.294 3.672 3.960 0.010 0.000 0.236 73 G C 0.118 174.997 174.900 -0.035 0.000 0.991 73 G CA -0.072 45.009 45.100 -0.031 0.000 0.629 73 G HN 0.610 nan 8.290 nan 0.000 0.517 74 E N 1.058 121.238 120.200 -0.034 0.000 2.392 74 E HA 0.344 4.699 4.350 0.010 0.000 0.264 74 E C 0.641 177.213 176.600 -0.047 0.000 1.024 74 E CA -0.261 56.119 56.400 -0.033 0.000 0.903 74 E CB 0.370 30.056 29.700 -0.025 0.000 0.963 74 E HN 0.336 nan 8.360 nan 0.000 0.432 75 K N 2.401 122.778 120.400 -0.039 0.000 2.401 75 K HA 0.150 4.476 4.320 0.010 0.000 0.278 75 K C -1.259 175.315 176.600 -0.042 0.000 1.018 75 K CA -0.285 55.975 56.287 -0.046 0.000 0.981 75 K CB 0.597 33.082 32.500 -0.026 0.000 0.933 75 K HN 0.198 nan 8.250 nan 0.000 0.477 76 V N 5.632 125.509 119.914 -0.062 0.000 2.588 76 V HA 0.324 4.450 4.120 0.010 0.000 0.304 76 V C -0.877 175.239 176.094 0.037 0.000 1.042 76 V CA -1.063 61.219 62.300 -0.029 0.000 0.877 76 V CB 1.478 33.255 31.823 -0.077 0.000 0.996 76 V HN 0.672 nan 8.190 nan 0.000 0.425 77 L N 3.409 124.673 121.223 0.068 0.000 2.282 77 L HA 0.625 4.971 4.340 0.010 0.000 0.288 77 L C -0.160 176.783 176.870 0.122 0.000 1.033 77 L CA 0.076 54.971 54.840 0.092 0.000 0.807 77 L CB 1.413 43.504 42.059 0.053 0.000 1.209 77 L HN 0.728 nan 8.230 nan 0.000 0.423 78 D N 1.713 122.199 120.400 0.142 0.000 2.351 78 D HA 0.097 4.743 4.640 0.010 0.000 0.251 78 D C 0.988 177.313 176.300 0.042 0.000 1.137 78 D CA 0.444 54.494 54.000 0.083 0.000 0.879 78 D CB 1.511 42.323 40.800 0.020 0.000 1.181 78 D HN 0.697 nan 8.370 nan 0.000 0.448 79 T N 0.523 115.095 114.554 0.030 0.000 3.081 79 T HA 0.289 4.644 4.350 0.010 0.000 0.250 79 T C 1.475 176.178 174.700 0.005 0.000 1.100 79 T CA 0.603 62.714 62.100 0.018 0.000 1.038 79 T CB 0.030 68.910 68.868 0.020 0.000 0.962 79 T HN 0.625 nan 8.240 nan 0.000 0.516 80 G N 0.067 108.864 108.800 -0.004 0.000 2.253 80 G HA2 0.063 4.029 3.960 0.010 0.000 0.251 80 G HA3 0.063 4.029 3.960 0.010 0.000 0.251 80 G C 0.440 175.332 174.900 -0.012 0.000 0.998 80 G CA -0.264 44.828 45.100 -0.015 0.000 0.621 80 G HN 1.337 nan 8.290 nan 0.000 0.524 81 G N -0.966 107.833 108.800 -0.003 0.000 2.645 81 G HA2 0.741 4.707 3.960 0.010 0.000 0.292 81 G HA3 0.741 4.707 3.960 0.010 0.000 0.292 81 G C -3.123 171.785 174.900 0.014 0.000 1.415 81 G CA -0.353 44.747 45.100 0.001 0.000 0.785 81 G HN 0.190 nan 8.290 nan 0.000 0.483 82 P HA 0.147 nan 4.420 nan 0.000 0.271 82 P C 0.260 177.597 177.300 0.061 0.000 1.233 82 P CA -0.176 62.963 63.100 0.065 0.000 0.795 82 P CB 0.495 32.262 31.700 0.110 0.000 0.936 83 I N 0.372 120.992 120.570 0.084 0.000 2.752 83 I HA -0.064 4.112 4.170 0.010 0.000 0.289 83 I C 0.709 176.838 176.117 0.021 0.000 1.197 83 I CA 1.157 62.485 61.300 0.047 0.000 1.432 83 I CB -0.123 37.907 38.000 0.049 0.000 1.359 83 I HN 0.215 nan 8.210 nan 0.000 0.571 84 S N 5.485 121.184 115.700 -0.001 0.000 2.501 84 S HA 0.671 5.147 4.470 0.010 0.000 0.301 84 S C -0.481 174.094 174.600 -0.041 0.000 1.096 84 S CA -0.746 57.441 58.200 -0.022 0.000 1.063 84 S CB 1.993 65.179 63.200 -0.023 0.000 1.042 84 S HN 0.463 nan 8.310 nan 0.000 0.494 85 V N 0.461 120.338 119.914 -0.063 0.000 2.735 85 V HA 0.691 4.816 4.120 0.010 0.000 0.310 85 V C -3.075 172.950 176.094 -0.115 0.000 1.061 85 V CA -3.182 59.071 62.300 -0.079 0.000 0.913 85 V CB 1.143 32.917 31.823 -0.082 0.000 1.005 85 V HN 0.525 nan 8.190 nan 0.000 0.428 86 P HA 0.287 nan 4.420 nan 0.000 0.265 86 P C -0.342 176.816 177.300 -0.237 0.000 1.193 86 P CA 0.289 63.294 63.100 -0.158 0.000 0.765 86 P CB 0.789 32.421 31.700 -0.114 0.000 0.823 87 V N -0.167 119.520 119.914 -0.377 0.000 3.141 87 V HA 0.994 5.120 4.120 0.010 0.000 0.312 87 V C 0.222 175.855 176.094 -0.769 0.000 1.157 87 V CA -0.147 61.779 62.300 -0.623 0.000 1.041 87 V CB 1.257 32.561 31.823 -0.865 0.000 1.071 87 V HN 0.950 nan 8.190 nan 0.000 0.441 88 G N 1.720 109.961 108.800 -0.933 0.000 2.627 88 G HA2 -0.152 3.813 3.960 0.010 0.000 0.214 88 G HA3 -0.152 3.813 3.960 0.010 0.000 0.214 88 G C 0.145 174.893 174.900 -0.254 0.000 1.331 88 G CA 0.258 45.010 45.100 -0.581 0.000 0.891 88 G HN 0.992 nan 8.290 nan 0.000 0.539 89 R N 0.289 120.758 120.500 -0.052 0.000 2.189 89 R HA 0.004 4.350 4.340 0.010 0.000 0.218 89 R C 2.143 178.449 176.300 0.010 0.000 1.074 89 R CA 1.346 57.461 56.100 0.026 0.000 0.991 89 R CB -0.144 30.175 30.300 0.033 0.000 0.883 89 R HN 0.540 nan 8.270 nan 0.000 0.457 90 E N 0.033 120.213 120.200 -0.032 0.000 2.267 90 E HA -0.139 4.216 4.350 0.010 0.000 0.197 90 E C 1.791 178.386 176.600 -0.008 0.000 0.998 90 E CA 1.696 58.083 56.400 -0.022 0.000 0.830 90 E CB -0.190 29.482 29.700 -0.047 0.000 0.751 90 E HN 0.457 nan 8.360 nan 0.000 0.491 91 T N -1.777 112.772 114.554 -0.007 0.000 3.088 91 T HA 0.091 4.447 4.350 0.010 0.000 0.259 91 T C 1.150 175.889 174.700 0.065 0.000 1.122 91 T CA -0.127 61.984 62.100 0.017 0.000 1.095 91 T CB -0.144 68.723 68.868 -0.002 0.000 0.930 91 T HN -0.064 nan 8.240 nan 0.000 0.508 92 L N 1.669 122.939 121.223 0.077 0.000 2.453 92 L HA 0.465 4.811 4.340 0.010 0.000 0.272 92 L C 1.666 178.592 176.870 0.093 0.000 1.182 92 L CA 0.717 55.609 54.840 0.087 0.000 0.858 92 L CB 0.123 42.221 42.059 0.065 0.000 1.120 92 L HN 0.491 nan 8.230 nan 0.000 0.474 93 G N 1.513 110.382 108.800 0.116 0.000 2.155 93 G HA2 -0.227 3.739 3.960 0.010 0.000 0.257 93 G HA3 -0.227 3.739 3.960 0.010 0.000 0.257 93 G C 0.245 175.237 174.900 0.154 0.000 0.983 93 G CA -0.197 44.987 45.100 0.140 0.000 0.676 93 G HN 0.460 nan 8.290 nan 0.000 0.528 94 R N -0.526 120.040 120.500 0.110 0.000 2.732 94 R HA 0.732 5.078 4.340 0.010 0.000 0.278 94 R C 0.242 176.567 176.300 0.041 0.000 0.976 94 R CA -1.053 55.088 56.100 0.069 0.000 0.963 94 R CB 1.116 31.442 30.300 0.042 0.000 1.150 94 R HN 0.259 nan 8.270 nan 0.000 0.478 95 I N 2.879 123.439 120.570 -0.017 0.000 2.377 95 I HA 0.449 4.625 4.170 0.010 0.000 0.293 95 I C 0.038 176.172 176.117 0.028 0.000 0.987 95 I CA -0.540 60.766 61.300 0.010 0.000 1.185 95 I CB 1.144 39.095 38.000 -0.083 0.000 1.341 95 I HN 0.290 nan 8.210 nan 0.000 0.455 96 I N 4.960 125.563 120.570 0.055 0.000 2.730 96 I HA 0.349 4.525 4.170 0.010 0.000 0.298 96 I C -0.106 176.040 176.117 0.049 0.000 1.089 96 I CA -0.807 60.511 61.300 0.030 0.000 1.041 96 I CB 1.873 39.874 38.000 0.002 0.000 1.235 96 I HN 0.476 nan 8.210 nan 0.000 0.423 97 N N 1.767 120.485 118.700 0.031 0.000 2.424 97 N HA 0.092 4.837 4.740 0.010 0.000 0.257 97 N C 0.995 176.514 175.510 0.016 0.000 1.250 97 N CA -0.112 52.957 53.050 0.033 0.000 0.946 97 N CB 1.475 39.973 38.487 0.018 0.000 1.175 97 N HN 0.540 nan 8.380 nan 0.000 0.477 98 V N 2.308 122.235 119.914 0.021 0.000 2.317 98 V HA -0.210 3.916 4.120 0.010 0.000 0.251 98 V C 1.595 177.686 176.094 -0.004 0.000 1.065 98 V CA 2.039 64.342 62.300 0.006 0.000 1.049 98 V CB -0.453 31.381 31.823 0.019 0.000 0.651 98 V HN 0.692 nan 8.190 nan 0.000 0.450 99 I N -1.882 118.689 120.570 0.003 0.000 3.810 99 I HA 0.503 4.678 4.170 0.010 0.000 0.322 99 I C 1.271 177.383 176.117 -0.009 0.000 1.288 99 I CA 0.602 61.902 61.300 -0.000 0.000 1.143 99 I CB -0.469 37.535 38.000 0.008 0.000 1.012 99 I HN 0.372 nan 8.210 nan 0.000 0.423 100 G N 1.083 109.874 108.800 -0.015 0.000 2.137 100 G HA2 -0.241 3.724 3.960 0.010 0.000 0.237 100 G HA3 -0.241 3.724 3.960 0.010 0.000 0.237 100 G C -0.202 174.687 174.900 -0.019 0.000 1.002 100 G CA -0.012 45.073 45.100 -0.025 0.000 0.702 100 G HN 0.648 nan 8.290 nan 0.000 0.515 101 E N 0.611 120.806 120.200 -0.008 0.000 2.222 101 E HA 0.475 4.831 4.350 0.010 0.000 0.272 101 E C -2.523 174.075 176.600 -0.003 0.000 0.982 101 E CA -2.200 54.196 56.400 -0.006 0.000 0.842 101 E CB 1.675 31.375 29.700 -0.001 0.000 1.144 101 E HN 0.126 nan 8.360 nan 0.000 0.397 102 P HA 0.096 nan 4.420 nan 0.000 0.276 102 P C -0.204 177.093 177.300 -0.006 0.000 1.230 102 P CA 0.120 63.217 63.100 -0.005 0.000 0.776 102 P CB 0.222 31.920 31.700 -0.005 0.000 0.888 103 I N -0.758 119.805 120.570 -0.013 0.000 3.326 103 I HA 0.363 4.539 4.170 0.010 0.000 0.336 103 I C -0.227 175.856 176.117 -0.057 0.000 1.543 103 I CA -0.287 60.999 61.300 -0.024 0.000 1.013 103 I CB 0.185 38.179 38.000 -0.011 0.000 1.468 103 I HN 0.031 nan 8.210 nan 0.000 0.515 104 D N -0.237 120.130 120.400 -0.054 0.000 2.540 104 D HA 0.058 4.704 4.640 0.010 0.000 0.229 104 D C 0.369 176.664 176.300 -0.008 0.000 1.250 104 D CA -0.286 53.671 54.000 -0.070 0.000 0.817 104 D CB -0.079 40.650 40.800 -0.118 0.000 1.060 104 D HN 0.404 nan 8.370 nan 0.000 0.508 105 E N 0.093 120.290 120.200 -0.005 0.000 2.476 105 E HA -0.259 4.097 4.350 0.010 0.000 0.251 105 E C 0.306 176.917 176.600 0.019 0.000 1.130 105 E CA 0.288 56.693 56.400 0.008 0.000 0.736 105 E CB -1.001 28.705 29.700 0.011 0.000 1.298 105 E HN 0.394 nan 8.360 nan 0.000 0.400 106 R N -0.299 120.213 120.500 0.020 0.000 2.546 106 R HA 0.262 4.608 4.340 0.010 0.000 0.320 106 R C 0.847 177.158 176.300 0.019 0.000 1.021 106 R CA 0.365 56.482 56.100 0.028 0.000 1.088 106 R CB 1.121 31.447 30.300 0.043 0.000 1.278 106 R HN 0.342 nan 8.270 nan 0.000 0.557 107 G N 1.710 110.517 108.800 0.011 0.000 2.587 107 G HA2 -0.211 3.754 3.960 0.010 0.000 0.212 107 G HA3 -0.211 3.754 3.960 0.010 0.000 0.212 107 G C -2.670 172.232 174.900 0.003 0.000 1.327 107 G CA -1.207 43.898 45.100 0.007 0.000 0.898 107 G HN 0.052 nan 8.290 nan 0.000 0.551 108 P HA 0.511 nan 4.420 nan 0.000 0.275 108 P C 0.002 177.297 177.300 -0.007 0.000 1.227 108 P CA -0.380 62.717 63.100 -0.005 0.000 0.781 108 P CB 0.532 32.228 31.700 -0.007 0.000 0.906 109 I N 3.113 123.675 120.570 -0.014 0.000 2.311 109 I HA 0.079 4.255 4.170 0.010 0.000 0.297 109 I C 0.783 176.883 176.117 -0.030 0.000 1.131 109 I CA 0.046 61.334 61.300 -0.020 0.000 1.289 109 I CB -0.224 37.760 38.000 -0.027 0.000 1.446 109 I HN 0.091 nan 8.210 nan 0.000 0.524 110 K N 5.483 125.869 120.400 -0.024 0.000 2.278 110 K HA 0.133 4.458 4.320 0.010 0.000 0.237 110 K C 0.296 176.872 176.600 -0.041 0.000 1.229 110 K CA -0.244 56.026 56.287 -0.028 0.000 1.155 110 K CB -0.004 32.486 32.500 -0.016 0.000 1.590 110 K HN 0.644 nan 8.250 nan 0.000 0.290 111 S N 0.155 115.817 115.700 -0.064 0.000 2.616 111 S HA 0.238 4.714 4.470 0.010 0.000 0.277 111 S C 0.963 175.510 174.600 -0.088 0.000 1.234 111 S CA -0.859 57.285 58.200 -0.094 0.000 1.028 111 S CB 1.889 65.001 63.200 -0.147 0.000 0.988 111 S HN 0.351 nan 8.310 nan 0.000 0.522 112 K N 0.380 120.724 120.400 -0.093 0.000 2.026 112 K HA 0.086 4.412 4.320 0.010 0.000 0.208 112 K C 0.069 176.619 176.600 -0.085 0.000 1.048 112 K CA 1.065 57.310 56.287 -0.069 0.000 0.929 112 K CB -0.444 32.029 32.500 -0.045 0.000 0.713 112 K HN 0.549 nan 8.250 nan 0.000 0.439 113 L N 0.348 121.485 121.223 -0.143 0.000 2.333 113 L HA 0.429 4.775 4.340 0.010 0.000 0.269 113 L C -0.340 176.427 176.870 -0.171 0.000 1.010 113 L CA -0.983 53.774 54.840 -0.139 0.000 0.818 113 L CB 1.988 43.968 42.059 -0.132 0.000 1.306 113 L HN -0.106 nan 8.230 nan 0.000 0.430 114 R N 1.538 121.968 120.500 -0.116 0.000 2.437 114 R HA 0.518 4.864 4.340 0.010 0.000 0.310 114 R C -1.057 175.192 176.300 -0.085 0.000 0.955 114 R CA -0.815 55.220 56.100 -0.109 0.000 0.851 114 R CB 2.180 32.437 30.300 -0.072 0.000 1.161 114 R HN 0.489 nan 8.270 nan 0.000 0.446 115 K N 3.493 123.836 120.400 -0.094 0.000 2.203 115 K HA 0.426 4.752 4.320 0.010 0.000 0.251 115 K C -2.416 174.160 176.600 -0.039 0.000 0.944 115 K CA -2.076 54.179 56.287 -0.053 0.000 0.829 115 K CB 2.120 34.594 32.500 -0.042 0.000 1.125 115 K HN 0.311 nan 8.250 nan 0.000 0.430 116 P HA 0.025 nan 4.420 nan 0.000 0.271 116 P C 0.679 177.968 177.300 -0.018 0.000 1.216 116 P CA 0.031 63.134 63.100 0.005 0.000 0.776 116 P CB 0.360 32.080 31.700 0.034 0.000 0.881 117 I N -0.748 119.793 120.570 -0.047 0.000 2.928 117 I HA 0.028 4.204 4.170 0.010 0.000 0.266 117 I C 0.531 176.495 176.117 -0.255 0.000 1.234 117 I CA 0.620 61.824 61.300 -0.160 0.000 1.483 117 I CB -0.631 37.239 38.000 -0.217 0.000 1.097 117 I HN 0.234 nan 8.210 nan 0.000 0.455 118 H N 2.514 121.571 119.070 -0.021 0.000 2.467 118 H HA 0.790 5.352 4.556 0.010 0.000 0.326 118 H C -0.562 174.755 175.328 -0.019 0.000 1.094 118 H CA -0.205 55.832 56.048 -0.019 0.000 1.253 118 H CB 1.715 31.471 29.762 -0.011 0.000 1.439 118 H HN 0.398 nan 8.280 nan 0.000 0.479 119 A N 3.338 126.204 122.820 0.078 0.000 2.566 119 A HA 0.223 4.548 4.320 0.010 0.000 0.297 119 A C -1.036 176.565 177.584 0.028 0.000 1.059 119 A CA -1.021 51.041 52.037 0.040 0.000 0.691 119 A CB 1.240 20.247 19.000 0.011 0.000 1.282 119 A HN 0.586 nan 8.150 nan 0.000 0.401 120 D N 3.505 123.919 120.400 0.023 0.000 2.493 120 D HA 0.285 4.931 4.640 0.010 0.000 0.240 120 D C -1.935 174.371 176.300 0.010 0.000 1.142 120 D CA 0.029 54.040 54.000 0.018 0.000 0.872 120 D CB 0.346 41.156 40.800 0.016 0.000 1.173 120 D HN 0.352 nan 8.370 nan 0.000 0.467 121 P HA 0.087 nan 4.420 nan 0.000 0.267 121 P C -2.420 174.887 177.300 0.012 0.000 1.200 121 P CA -0.959 62.145 63.100 0.006 0.000 0.772 121 P CB -0.479 31.230 31.700 0.014 0.000 0.855 122 P HA -0.061 nan 4.420 nan 0.000 0.261 122 P C 0.669 177.984 177.300 0.025 0.000 1.173 122 P CA 0.400 63.503 63.100 0.005 0.000 0.760 122 P CB 0.114 31.808 31.700 -0.008 0.000 0.783 123 S N 2.903 118.622 115.700 0.032 0.000 2.611 123 S HA -0.039 4.436 4.470 0.010 0.000 0.252 123 S C 1.057 175.715 174.600 0.096 0.000 1.369 123 S CA -0.235 58.007 58.200 0.070 0.000 0.975 123 S CB -0.176 63.064 63.200 0.067 0.000 0.937 123 S HN 0.416 nan 8.310 nan 0.000 0.584 124 F N 1.190 121.141 119.950 0.002 0.000 2.186 124 F HA 0.111 4.644 4.527 0.009 0.000 0.299 124 F C 2.441 178.242 175.800 0.000 0.000 1.090 124 F CA 1.347 59.348 58.000 0.002 0.000 1.307 124 F CB -1.047 37.954 39.000 0.002 0.000 1.019 124 F HN 0.684 nan 8.300 nan 0.000 0.489 125 A N -0.107 122.710 122.820 -0.005 0.000 2.019 125 A HA -0.165 4.160 4.320 0.010 0.000 0.219 125 A C 1.918 179.422 177.584 -0.134 0.000 1.164 125 A CA 1.674 53.657 52.037 -0.090 0.000 0.644 125 A CB -0.754 18.257 19.000 0.019 0.000 0.805 125 A HN 0.563 nan 8.150 nan 0.000 0.449 126 E N 0.117 120.259 120.200 -0.097 0.000 2.489 126 E HA 0.013 4.369 4.350 0.010 0.000 0.193 126 E C -0.051 176.483 176.600 -0.109 0.000 1.057 126 E CA -0.193 56.158 56.400 -0.082 0.000 0.866 126 E CB 0.149 29.823 29.700 -0.042 0.000 0.916 126 E HN 0.559 nan 8.360 nan 0.000 0.500 127 Q N 0.415 120.105 119.800 -0.183 0.000 2.299 127 Q HA 0.263 4.609 4.340 0.010 0.000 0.246 127 Q C -0.360 175.550 176.000 -0.152 0.000 0.935 127 Q CA 0.057 55.759 55.803 -0.168 0.000 0.887 127 Q CB 1.864 30.462 28.738 -0.234 0.000 1.223 127 Q HN -0.058 nan 8.270 nan 0.000 0.439 128 S N 0.825 116.466 115.700 -0.099 0.000 2.736 128 S HA 0.521 4.997 4.470 0.010 0.000 0.285 128 S C -1.064 173.504 174.600 -0.053 0.000 1.163 128 S CA -0.530 57.625 58.200 -0.075 0.000 1.025 128 S CB 0.805 63.972 63.200 -0.055 0.000 1.030 128 S HN 0.594 nan 8.310 nan 0.000 0.486 129 T N 1.247 115.771 114.554 -0.049 0.000 2.887 129 T HA 0.884 5.240 4.350 0.010 0.000 0.288 129 T C -0.509 174.180 174.700 -0.018 0.000 1.021 129 T CA -0.755 61.327 62.100 -0.029 0.000 1.000 129 T CB 1.500 70.352 68.868 -0.027 0.000 1.034 129 T HN 0.962 nan 8.240 nan 0.000 0.467 130 S N 0.062 115.758 115.700 -0.007 0.000 2.537 130 S HA 0.711 5.187 4.470 0.010 0.000 0.271 130 S C -0.814 173.791 174.600 0.009 0.000 1.148 130 S CA -1.039 57.161 58.200 -0.001 0.000 0.868 130 S CB 1.319 64.519 63.200 -0.001 0.000 1.115 130 S HN 1.413 nan 8.310 nan 0.000 0.461 131 A N 1.318 124.144 122.820 0.011 0.000 2.838 131 A HA 0.655 4.980 4.320 0.010 0.000 0.337 131 A C -0.088 177.511 177.584 0.025 0.000 1.383 131 A CA -0.379 51.669 52.037 0.019 0.000 0.985 131 A CB -0.331 18.677 19.000 0.013 0.000 1.157 131 A HN 0.767 nan 8.150 nan 0.000 0.497 132 E N 2.695 122.915 120.200 0.033 0.000 2.185 132 E HA 0.459 4.815 4.350 0.010 0.000 0.261 132 E C -0.867 175.768 176.600 0.058 0.000 0.879 132 E CA -0.683 55.741 56.400 0.040 0.000 0.756 132 E CB 0.916 30.635 29.700 0.033 0.000 1.152 132 E HN 0.614 nan 8.360 nan 0.000 0.416 133 I N 4.071 124.680 120.570 0.065 0.000 2.752 133 I HA -0.105 4.071 4.170 0.010 0.000 0.289 133 I C 0.115 176.283 176.117 0.084 0.000 1.197 133 I CA 0.318 61.667 61.300 0.082 0.000 1.432 133 I CB 0.149 38.198 38.000 0.083 0.000 1.359 133 I HN 0.442 nan 8.210 nan 0.000 0.571 134 L N 7.336 128.625 121.223 0.110 0.000 2.283 134 L HA 0.330 4.676 4.340 0.010 0.000 0.281 134 L C 0.195 177.123 176.870 0.098 0.000 1.033 134 L CA -0.185 54.723 54.840 0.114 0.000 0.848 134 L CB 0.783 42.932 42.059 0.150 0.000 1.226 134 L HN 0.544 nan 8.230 nan 0.000 0.429 135 E N 1.785 122.023 120.200 0.062 0.000 2.529 135 E HA -0.051 4.305 4.350 0.010 0.000 0.259 135 E C 0.455 177.072 176.600 0.028 0.000 0.966 135 E CA 0.901 57.319 56.400 0.030 0.000 0.937 135 E CB 0.763 30.475 29.700 0.020 0.000 0.923 135 E HN 0.794 nan 8.360 nan 0.000 0.468 136 T N 0.726 115.271 114.554 -0.014 0.000 2.969 136 T HA 0.279 4.635 4.350 0.010 0.000 0.250 136 T C 1.361 176.023 174.700 -0.063 0.000 1.021 136 T CA 0.407 62.494 62.100 -0.021 0.000 1.003 136 T CB 0.449 69.286 68.868 -0.051 0.000 1.040 136 T HN 0.740 nan 8.240 nan 0.000 0.492 137 G N 1.660 110.424 108.800 -0.060 0.000 2.179 137 G HA2 -0.195 3.771 3.960 0.010 0.000 0.260 137 G HA3 -0.195 3.771 3.960 0.010 0.000 0.260 137 G C -0.020 174.842 174.900 -0.063 0.000 0.977 137 G CA 0.128 45.191 45.100 -0.061 0.000 0.641 137 G HN 0.660 nan 8.290 nan 0.000 0.533 138 I N 1.062 121.591 120.570 -0.070 0.000 2.304 138 I HA 0.255 4.431 4.170 0.010 0.000 0.291 138 I C 1.618 177.724 176.117 -0.019 0.000 1.018 138 I CA -0.729 60.563 61.300 -0.013 0.000 1.260 138 I CB 1.269 39.256 38.000 -0.023 0.000 1.390 138 I HN 0.004 nan 8.210 nan 0.000 0.475 139 K N 3.980 124.372 120.400 -0.012 0.000 2.015 139 K HA -0.223 4.102 4.320 0.010 0.000 0.216 139 K C 1.948 178.480 176.600 -0.114 0.000 1.052 139 K CA 2.090 58.334 56.287 -0.072 0.000 0.937 139 K CB -0.269 32.190 32.500 -0.067 0.000 0.719 139 K HN 0.719 nan 8.250 nan 0.000 0.446 140 V N -1.021 118.861 119.914 -0.053 0.000 2.392 140 V HA -0.196 3.930 4.120 0.010 0.000 0.249 140 V C 2.060 178.125 176.094 -0.047 0.000 1.059 140 V CA 1.642 63.906 62.300 -0.060 0.000 1.051 140 V CB -0.656 31.186 31.823 0.032 0.000 0.658 140 V HN 0.073 nan 8.190 nan 0.000 0.455 141 V N 1.016 120.916 119.914 -0.024 0.000 2.283 141 V HA -0.159 3.967 4.120 0.010 0.000 0.243 141 V C 2.608 178.624 176.094 -0.129 0.000 1.039 141 V CA 2.433 64.662 62.300 -0.119 0.000 1.016 141 V CB -0.892 30.762 31.823 -0.281 0.000 0.650 141 V HN 0.502 nan 8.190 nan 0.000 0.449 142 D N -0.051 120.282 120.400 -0.111 0.000 2.117 142 D HA -0.155 4.491 4.640 0.010 0.000 0.197 142 D C 1.917 178.228 176.300 0.019 0.000 0.987 142 D CA 1.294 55.257 54.000 -0.061 0.000 0.829 142 D CB -0.253 40.502 40.800 -0.076 0.000 0.961 142 D HN 0.347 nan 8.370 nan 0.000 0.460 143 L N -0.153 121.039 121.223 -0.053 0.000 2.023 143 L HA -0.002 4.344 4.340 0.010 0.000 0.205 143 L C 1.982 178.904 176.870 0.086 0.000 1.073 143 L CA 1.421 56.264 54.840 0.004 0.000 0.745 143 L CB -0.126 41.752 42.059 -0.302 0.000 0.900 143 L HN -0.018 nan 8.230 nan 0.000 0.435 144 L N -1.057 120.140 121.223 -0.043 0.000 2.470 144 L HA 0.346 4.692 4.340 0.010 0.000 0.219 144 L C 0.576 177.429 176.870 -0.029 0.000 1.071 144 L CA 0.454 55.259 54.840 -0.058 0.000 0.850 144 L CB -0.022 41.986 42.059 -0.086 0.000 1.040 144 L HN 0.279 nan 8.230 nan 0.000 0.475 145 A N 0.319 123.135 122.820 -0.007 0.000 3.307 145 A HA 0.495 4.820 4.320 0.010 0.000 0.289 145 A C -2.712 174.895 177.584 0.037 0.000 1.138 145 A CA -0.752 51.303 52.037 0.031 0.000 0.860 145 A CB -0.050 18.988 19.000 0.063 0.000 1.318 145 A HN -0.149 nan 8.150 nan 0.000 0.551 146 P HA 0.283 nan 4.420 nan 0.000 0.271 146 P C -0.521 176.882 177.300 0.172 0.000 1.216 146 P CA 0.251 63.370 63.100 0.032 0.000 0.776 146 P CB 0.296 32.043 31.700 0.078 0.000 0.881 147 Y N 0.954 121.303 120.300 0.082 0.000 2.314 147 Y HA 0.452 5.009 4.550 0.010 0.000 0.334 147 Y C 1.017 176.949 175.900 0.054 0.000 1.266 147 Y CA -1.432 56.710 58.100 0.071 0.000 1.391 147 Y CB -0.092 38.417 38.460 0.082 0.000 1.306 147 Y HN 0.317 nan 8.280 nan 0.000 0.558 148 A N 3.076 126.014 122.820 0.197 0.000 2.303 148 A HA 0.537 4.862 4.320 0.010 0.000 0.320 148 A C -0.121 177.508 177.584 0.074 0.000 1.192 148 A CA -1.033 51.070 52.037 0.109 0.000 0.821 148 A CB 0.427 19.470 19.000 0.072 0.000 1.188 148 A HN 0.802 nan 8.150 nan 0.000 0.492 149 R N 1.262 121.804 120.500 0.070 0.000 2.504 149 R HA 0.265 4.611 4.340 0.010 0.000 0.291 149 R C 1.238 177.553 176.300 0.025 0.000 0.974 149 R CA 1.407 57.537 56.100 0.050 0.000 1.077 149 R CB 0.121 30.453 30.300 0.055 0.000 0.926 149 R HN 1.638 nan 8.270 nan 0.000 0.407 150 G N 1.812 110.616 108.800 0.006 0.000 2.153 150 G HA2 -0.247 3.719 3.960 0.010 0.000 0.252 150 G HA3 -0.247 3.719 3.960 0.010 0.000 0.252 150 G C 0.352 175.240 174.900 -0.021 0.000 0.994 150 G CA 0.041 45.136 45.100 -0.010 0.000 0.698 150 G HN 0.892 nan 8.290 nan 0.000 0.521 151 G N -1.005 107.780 108.800 -0.026 0.000 2.820 151 G HA2 0.695 4.661 3.960 0.010 0.000 0.291 151 G HA3 0.695 4.661 3.960 0.010 0.000 0.291 151 G C -0.428 174.432 174.900 -0.067 0.000 1.323 151 G CA -0.868 44.215 45.100 -0.028 0.000 1.055 151 G HN 0.375 nan 8.290 nan 0.000 0.520 152 K N -0.376 119.990 120.400 -0.057 0.000 2.244 152 K HA 0.595 4.921 4.320 0.010 0.000 0.260 152 K C -1.107 175.428 176.600 -0.108 0.000 0.951 152 K CA -0.315 55.919 56.287 -0.087 0.000 0.826 152 K CB 2.429 34.900 32.500 -0.048 0.000 1.108 152 K HN 0.249 nan 8.250 nan 0.000 0.433 153 I N 1.578 122.037 120.570 -0.185 0.000 2.478 153 I HA 0.317 4.493 4.170 0.010 0.000 0.287 153 I C -0.073 175.926 176.117 -0.196 0.000 1.042 153 I CA -0.687 60.451 61.300 -0.270 0.000 1.067 153 I CB 2.222 39.862 38.000 -0.599 0.000 1.233 153 I HN 0.685 nan 8.210 nan 0.000 0.431 154 G N 6.746 115.490 108.800 -0.093 0.000 2.379 154 G HA2 0.717 4.683 3.960 0.010 0.000 0.327 154 G HA3 0.717 4.683 3.960 0.010 0.000 0.327 154 G C -0.804 174.067 174.900 -0.047 0.000 1.145 154 G CA -0.517 44.509 45.100 -0.124 0.000 0.905 154 G HN 0.467 nan 8.290 nan 0.000 0.466 155 L N 2.458 123.585 121.223 -0.160 0.000 2.313 155 L HA 0.373 4.719 4.340 0.010 0.000 0.273 155 L C -0.816 175.989 176.870 -0.109 0.000 1.028 155 L CA -0.597 54.180 54.840 -0.105 0.000 0.871 155 L CB 0.583 42.557 42.059 -0.141 0.000 1.242 155 L HN 0.316 nan 8.230 nan 0.000 0.434 156 F N 1.372 121.251 119.950 -0.119 0.000 2.396 156 F HA 0.701 5.234 4.527 0.009 0.000 0.343 156 F C 1.021 176.769 175.800 -0.088 0.000 1.104 156 F CA -0.456 57.478 58.000 -0.110 0.000 1.161 156 F CB 1.753 40.687 39.000 -0.110 0.000 1.146 156 F HN 0.384 nan 8.300 nan 0.000 0.522 157 G N 0.988 109.813 108.800 0.041 0.000 2.691 157 G HA2 0.489 4.455 3.960 0.010 0.000 0.298 157 G HA3 0.489 4.455 3.960 0.010 0.000 0.298 157 G C -0.588 174.213 174.900 -0.164 0.000 1.471 157 G CA -0.423 44.665 45.100 -0.019 0.000 0.912 157 G HN 0.925 nan 8.290 nan 0.000 0.553 158 G N -0.195 108.499 108.800 -0.177 0.000 2.611 158 G HA2 0.643 4.609 3.960 0.010 0.000 0.273 158 G HA3 0.643 4.609 3.960 0.010 0.000 0.273 158 G C 0.825 175.628 174.900 -0.161 0.000 1.305 158 G CA 0.365 45.280 45.100 -0.308 0.000 1.010 158 G HN 1.708 nan 8.290 nan 0.000 0.509 159 A N -1.274 121.499 122.820 -0.079 0.000 2.524 159 A HA 0.500 4.826 4.320 0.010 0.000 0.250 159 A C 1.613 179.252 177.584 0.091 0.000 1.078 159 A CA 1.138 53.266 52.037 0.152 0.000 0.761 159 A CB -0.646 18.477 19.000 0.205 0.000 1.012 159 A HN 2.565 nan 8.150 nan 0.000 0.500 160 G N 0.905 109.770 108.800 0.109 0.000 2.155 160 G HA2 -0.233 3.733 3.960 0.010 0.000 0.257 160 G HA3 -0.233 3.733 3.960 0.010 0.000 0.257 160 G C 0.828 175.773 174.900 0.075 0.000 0.983 160 G CA 1.032 46.177 45.100 0.075 0.000 0.676 160 G HN 2.124 nan 8.290 nan 0.000 0.528 161 V N -3.144 116.820 119.914 0.083 0.000 3.129 161 V HA 0.575 4.701 4.120 0.010 0.000 0.259 161 V C 1.746 177.944 176.094 0.174 0.000 1.116 161 V CA 1.370 63.736 62.300 0.111 0.000 1.127 161 V CB 0.054 31.914 31.823 0.061 0.000 0.742 161 V HN 2.169 nan 8.190 nan 0.000 0.474 162 G N 0.223 109.114 108.800 0.152 0.000 2.192 162 G HA2 -0.130 3.836 3.960 0.010 0.000 0.152 162 G HA3 -0.130 3.836 3.960 0.010 0.000 0.152 162 G C 0.380 175.426 174.900 0.243 0.000 1.057 162 G CA 0.123 45.338 45.100 0.193 0.000 0.748 162 G HN 0.415 nan 8.290 nan 0.000 0.488 163 K N -0.275 120.234 120.400 0.182 0.000 2.025 163 K HA -0.041 4.284 4.320 0.010 0.000 0.207 163 K C 2.554 179.299 176.600 0.241 0.000 1.049 163 K CA 1.895 58.289 56.287 0.179 0.000 0.933 163 K CB -0.216 32.359 32.500 0.124 0.000 0.714 163 K HN 0.290 nan 8.250 nan 0.000 0.438 164 T N 1.315 115.994 114.554 0.208 0.000 2.668 164 T HA -0.107 4.249 4.350 0.010 0.000 0.262 164 T C 2.085 176.912 174.700 0.213 0.000 1.045 164 T CA 1.234 63.458 62.100 0.206 0.000 1.152 164 T CB -0.310 68.658 68.868 0.167 0.000 0.864 164 T HN -0.077 nan 8.240 nan 0.000 0.419 165 V N 1.022 121.058 119.914 0.202 0.000 2.453 165 V HA -0.182 3.944 4.120 0.010 0.000 0.252 165 V C 2.019 178.295 176.094 0.302 0.000 1.068 165 V CA 1.632 64.061 62.300 0.216 0.000 1.070 165 V CB -0.738 31.197 31.823 0.186 0.000 0.664 165 V HN 0.384 nan 8.190 nan 0.000 0.461 166 F N -0.302 119.791 119.950 0.239 0.000 2.146 166 F HA -0.100 4.433 4.527 0.009 0.000 0.298 166 F C 2.159 178.058 175.800 0.164 0.000 1.096 166 F CA 1.467 59.636 58.000 0.282 0.000 1.275 166 F CB -0.131 39.046 39.000 0.294 0.000 1.008 166 F HN 0.011 nan 8.300 nan 0.000 0.480 167 I N -0.133 120.689 120.570 0.419 0.000 2.226 167 I HA -0.344 3.831 4.170 0.010 0.000 0.245 167 I C 2.254 178.418 176.117 0.079 0.000 1.100 167 I CA 1.456 62.926 61.300 0.283 0.000 1.374 167 I CB -0.418 37.751 38.000 0.282 0.000 1.057 167 I HN 0.293 nan 8.210 nan 0.000 0.413 168 Q N -0.069 119.764 119.800 0.055 0.000 2.084 168 Q HA -0.284 4.061 4.340 0.010 0.000 0.202 168 Q C 2.028 177.957 176.000 -0.118 0.000 0.978 168 Q CA 1.656 57.430 55.803 -0.048 0.000 0.844 168 Q CB -0.094 28.643 28.738 -0.002 0.000 0.898 168 Q HN 0.365 nan 8.270 nan 0.000 0.426 169 E N 0.941 121.044 120.200 -0.161 0.000 2.072 169 E HA -0.128 4.228 4.350 0.010 0.000 0.191 169 E C 1.826 178.249 176.600 -0.295 0.000 0.985 169 E CA 0.810 56.993 56.400 -0.362 0.000 0.801 169 E CB -0.167 29.014 29.700 -0.865 0.000 0.750 169 E HN 0.258 nan 8.360 nan 0.000 0.452 170 L N 0.041 121.160 121.223 -0.173 0.000 2.042 170 L HA -0.202 4.144 4.340 0.010 0.000 0.210 170 L C 2.472 179.330 176.870 -0.019 0.000 1.076 170 L CA 1.209 56.047 54.840 -0.004 0.000 0.749 170 L CB -0.435 41.769 42.059 0.242 0.000 0.893 170 L HN 0.231 nan 8.230 nan 0.000 0.432 171 I N -0.037 120.427 120.570 -0.176 0.000 2.163 171 I HA -0.335 3.841 4.170 0.010 0.000 0.243 171 I C 2.290 178.329 176.117 -0.131 0.000 1.085 171 I CA 1.632 62.761 61.300 -0.284 0.000 1.347 171 I CB -0.340 37.377 38.000 -0.471 0.000 1.044 171 I HN 0.340 nan 8.210 nan 0.000 0.408 172 N N 0.761 119.379 118.700 -0.136 0.000 2.289 172 N HA -0.171 4.575 4.740 0.010 0.000 0.184 172 N C 1.478 176.937 175.510 -0.085 0.000 1.016 172 N CA 1.369 54.355 53.050 -0.108 0.000 0.872 172 N CB 0.003 38.413 38.487 -0.129 0.000 0.973 172 N HN 0.241 nan 8.380 nan 0.000 0.433 173 N N -0.702 117.946 118.700 -0.087 0.000 2.387 173 N HA 0.167 4.913 4.740 0.010 0.000 0.176 173 N C 1.216 176.725 175.510 -0.002 0.000 1.022 173 N CA 0.731 53.744 53.050 -0.063 0.000 0.883 173 N CB 0.313 38.738 38.487 -0.102 0.000 1.019 173 N HN 0.335 nan 8.380 nan 0.000 0.435 174 I N -0.364 120.230 120.570 0.039 0.000 3.616 174 I HA 0.205 4.381 4.170 0.010 0.000 0.296 174 I C 1.952 178.134 176.117 0.108 0.000 1.226 174 I CA 0.146 61.499 61.300 0.089 0.000 1.394 174 I CB 0.051 38.127 38.000 0.127 0.000 1.171 174 I HN -0.069 nan 8.210 nan 0.000 0.442 175 A N 1.488 124.369 122.820 0.103 0.000 1.898 175 A HA -0.160 4.166 4.320 0.010 0.000 0.216 175 A C 2.263 179.902 177.584 0.092 0.000 1.181 175 A CA 1.433 53.537 52.037 0.112 0.000 0.620 175 A CB -0.378 18.676 19.000 0.091 0.000 0.819 175 A HN 0.221 nan 8.150 nan 0.000 0.442 176 K N -0.391 120.036 120.400 0.044 0.000 2.034 176 K HA -0.137 4.189 4.320 0.010 0.000 0.214 176 K C 0.829 177.451 176.600 0.037 0.000 1.051 176 K CA 1.373 57.675 56.287 0.026 0.000 0.931 176 K CB -0.307 32.192 32.500 -0.001 0.000 0.715 176 K HN 0.420 nan 8.250 nan 0.000 0.446 177 A N 0.818 123.667 122.820 0.048 0.000 2.644 177 A HA 0.228 4.553 4.320 0.010 0.000 0.343 177 A C -0.187 177.449 177.584 0.086 0.000 1.324 177 A CA -0.430 51.631 52.037 0.040 0.000 0.846 177 A CB 0.133 19.141 19.000 0.015 0.000 1.128 177 A HN 0.397 nan 8.150 nan 0.000 0.484 178 H N 0.944 120.000 119.070 -0.024 0.000 2.926 178 H HA 0.377 4.939 4.556 0.010 0.000 0.249 178 H C 1.460 176.744 175.328 -0.073 0.000 0.963 178 H CA 1.635 57.666 56.048 -0.029 0.000 1.158 178 H CB 0.761 30.520 29.762 -0.005 0.000 1.445 178 H HN 1.060 nan 8.280 nan 0.000 0.452 179 G N -0.155 108.491 108.800 -0.256 0.000 2.420 179 G HA2 -0.272 3.694 3.960 0.010 0.000 0.221 179 G HA3 -0.272 3.694 3.960 0.010 0.000 0.221 179 G C 1.080 175.710 174.900 -0.449 0.000 1.117 179 G CA 0.365 45.264 45.100 -0.336 0.000 0.657 179 G HN 0.856 nan 8.290 nan 0.000 0.512 180 G N -0.225 108.235 108.800 -0.567 0.000 2.666 180 G HA2 0.593 4.559 3.960 0.010 0.000 0.207 180 G HA3 0.593 4.559 3.960 0.010 0.000 0.207 180 G C -0.322 174.256 174.900 -0.537 0.000 1.481 180 G CA -0.357 44.422 45.100 -0.535 0.000 1.071 180 G HN 0.452 nan 8.290 nan 0.000 0.572 181 F N -0.908 119.015 119.950 -0.046 0.000 2.538 181 F HA 0.646 5.179 4.527 0.010 0.000 0.325 181 F C 0.509 176.253 175.800 -0.093 0.000 1.066 181 F CA -0.669 57.216 58.000 -0.191 0.000 0.946 181 F CB 2.404 40.991 39.000 -0.688 0.000 1.199 181 F HN 0.168 nan 8.300 nan 0.000 0.473 182 S N 0.770 116.562 115.700 0.154 0.000 2.532 182 S HA 0.797 5.272 4.470 0.010 0.000 0.301 182 S C -1.092 173.602 174.600 0.156 0.000 1.083 182 S CA -0.712 57.579 58.200 0.150 0.000 1.025 182 S CB 2.006 65.359 63.200 0.256 0.000 1.056 182 S HN 0.306 nan 8.310 nan 0.000 0.494 183 V N 3.149 123.156 119.914 0.156 0.000 2.487 183 V HA 0.499 4.624 4.120 0.010 0.000 0.298 183 V C -1.079 175.128 176.094 0.187 0.000 1.028 183 V CA -0.690 61.699 62.300 0.148 0.000 0.860 183 V CB 1.252 33.133 31.823 0.095 0.000 0.991 183 V HN 0.832 nan 8.190 nan 0.000 0.427 184 F N 3.212 123.187 119.950 0.042 0.000 2.427 184 F HA 0.661 5.194 4.527 0.009 0.000 0.346 184 F C 0.375 176.059 175.800 -0.193 0.000 1.120 184 F CA 0.031 58.028 58.000 -0.006 0.000 1.033 184 F CB 1.701 40.681 39.000 -0.033 0.000 1.126 184 F HN 0.480 nan 8.300 nan 0.000 0.462 185 T N 4.729 118.898 114.554 -0.641 0.000 2.791 185 T HA 0.460 4.815 4.350 0.010 0.000 0.288 185 T C 0.087 174.491 174.700 -0.493 0.000 0.999 185 T CA -0.648 61.168 62.100 -0.474 0.000 0.952 185 T CB 1.140 69.819 68.868 -0.315 0.000 0.938 185 T HN 0.848 nan 8.240 nan 0.000 0.444 186 G N 2.075 110.725 108.800 -0.249 0.000 2.350 186 G HA2 0.511 4.477 3.960 0.010 0.000 0.306 186 G HA3 0.511 4.477 3.960 0.010 0.000 0.306 186 G C -0.485 174.500 174.900 0.141 0.000 1.094 186 G CA -0.374 44.841 45.100 0.191 0.000 0.953 186 G HN 0.655 nan 8.290 nan 0.000 0.420 187 V N 2.693 122.656 119.914 0.082 0.000 2.334 187 V HA 0.602 4.727 4.120 0.010 0.000 0.281 187 V C 1.107 177.254 176.094 0.089 0.000 1.016 187 V CA 0.272 62.613 62.300 0.067 0.000 0.832 187 V CB 0.826 32.659 31.823 0.017 0.000 0.999 187 V HN 1.356 nan 8.190 nan 0.000 0.439 188 G N 3.388 112.242 108.800 0.089 0.000 2.283 188 G HA2 -0.187 3.779 3.960 0.010 0.000 0.280 188 G HA3 -0.187 3.779 3.960 0.010 0.000 0.280 188 G C 0.141 175.083 174.900 0.070 0.000 1.029 188 G CA 0.520 45.658 45.100 0.063 0.000 0.840 188 G HN 0.598 nan 8.290 nan 0.000 0.505 189 E N -0.911 119.354 120.200 0.108 0.000 2.586 189 E HA 0.446 4.802 4.350 0.010 0.000 0.232 189 E C 0.656 177.308 176.600 0.087 0.000 0.854 189 E CA -0.974 55.490 56.400 0.107 0.000 0.938 189 E CB 0.682 30.480 29.700 0.162 0.000 1.518 189 E HN 0.342 nan 8.360 nan 0.000 0.400 190 R N 0.540 121.088 120.500 0.081 0.000 2.267 190 R HA 0.218 4.564 4.340 0.010 0.000 0.319 190 R C 1.099 177.400 176.300 0.002 0.000 1.067 190 R CA 0.019 56.143 56.100 0.040 0.000 0.936 190 R CB 0.410 30.734 30.300 0.040 0.000 1.006 190 R HN 0.420 nan 8.270 nan 0.000 0.452 191 T N 2.345 116.877 114.554 -0.036 0.000 2.685 191 T HA -0.255 4.101 4.350 0.010 0.000 0.268 191 T C 1.783 176.406 174.700 -0.129 0.000 1.034 191 T CA 1.644 63.675 62.100 -0.116 0.000 1.149 191 T CB -0.157 68.658 68.868 -0.088 0.000 0.860 191 T HN 0.571 nan 8.240 nan 0.000 0.449 192 R N 1.038 121.500 120.500 -0.062 0.000 2.127 192 R HA -0.147 4.198 4.340 0.010 0.000 0.238 192 R C 2.059 178.335 176.300 -0.039 0.000 1.134 192 R CA 1.782 57.856 56.100 -0.044 0.000 0.975 192 R CB -0.158 30.135 30.300 -0.012 0.000 0.865 192 R HN 0.518 nan 8.270 nan 0.000 0.447 193 E N -0.695 119.491 120.200 -0.022 0.000 2.072 193 E HA -0.071 4.284 4.350 0.010 0.000 0.190 193 E C 1.944 178.517 176.600 -0.045 0.000 0.982 193 E CA 0.933 57.334 56.400 0.001 0.000 0.803 193 E CB -0.217 29.522 29.700 0.064 0.000 0.755 193 E HN 0.586 nan 8.360 nan 0.000 0.453 194 G N 1.965 110.676 108.800 -0.149 0.000 2.491 194 G HA2 -0.379 3.586 3.960 0.010 0.000 0.218 194 G HA3 -0.379 3.586 3.960 0.010 0.000 0.218 194 G C 1.468 176.208 174.900 -0.266 0.000 1.180 194 G CA 1.072 45.901 45.100 -0.451 0.000 0.774 194 G HN 0.206 nan 8.290 nan 0.000 0.562 195 N N 1.004 119.588 118.700 -0.192 0.000 2.120 195 N HA -0.133 4.612 4.740 0.010 0.000 0.188 195 N C 1.695 177.209 175.510 0.005 0.000 1.024 195 N CA 1.679 54.697 53.050 -0.054 0.000 0.852 195 N CB -0.330 38.127 38.487 -0.050 0.000 1.003 195 N HN 0.168 nan 8.380 nan 0.000 0.424 196 D N 0.987 121.374 120.400 -0.021 0.000 2.106 196 D HA -0.173 4.473 4.640 0.010 0.000 0.191 196 D C 2.048 178.336 176.300 -0.019 0.000 0.997 196 D CA 0.683 54.673 54.000 -0.016 0.000 0.834 196 D CB -0.503 40.289 40.800 -0.012 0.000 0.956 196 D HN 0.243 nan 8.370 nan 0.000 0.448 197 L N -0.133 121.071 121.223 -0.030 0.000 2.017 197 L HA -0.205 4.141 4.340 0.010 0.000 0.208 197 L C 2.313 179.201 176.870 0.030 0.000 1.073 197 L CA 1.444 56.249 54.840 -0.059 0.000 0.745 197 L CB -0.687 41.276 42.059 -0.161 0.000 0.894 197 L HN 0.034 nan 8.230 nan 0.000 0.432 198 Y N 0.667 120.936 120.300 -0.052 0.000 2.081 198 Y HA -0.325 4.231 4.550 0.010 0.000 0.280 198 Y C 2.908 178.791 175.900 -0.027 0.000 1.163 198 Y CA 2.339 60.430 58.100 -0.015 0.000 1.135 198 Y CB -0.543 37.912 38.460 -0.009 0.000 0.970 198 Y HN 0.238 nan 8.280 nan 0.000 0.498 199 R N 0.124 120.567 120.500 -0.095 0.000 2.091 199 R HA -0.238 4.108 4.340 0.010 0.000 0.238 199 R C 2.210 178.428 176.300 -0.136 0.000 1.136 199 R CA 1.950 57.945 56.100 -0.175 0.000 0.959 199 R CB -0.412 29.836 30.300 -0.087 0.000 0.856 199 R HN 0.361 nan 8.270 nan 0.000 0.437 200 E N 0.560 120.708 120.200 -0.087 0.000 2.085 200 E HA -0.189 4.167 4.350 0.010 0.000 0.194 200 E C 1.980 178.529 176.600 -0.084 0.000 0.994 200 E CA 1.989 58.342 56.400 -0.079 0.000 0.801 200 E CB -0.084 29.573 29.700 -0.072 0.000 0.743 200 E HN 0.348 nan 8.360 nan 0.000 0.453 201 M N -0.159 119.392 119.600 -0.081 0.000 2.175 201 M HA -0.100 4.386 4.480 0.010 0.000 0.264 201 M C 2.144 178.395 176.300 -0.080 0.000 1.063 201 M CA 1.409 56.673 55.300 -0.060 0.000 1.119 201 M CB -0.557 32.036 32.600 -0.010 0.000 1.377 201 M HN 0.018 nan 8.290 nan 0.000 0.415 202 K N 0.448 120.759 120.400 -0.149 0.000 2.148 202 K HA -0.133 4.192 4.320 0.010 0.000 0.204 202 K C 1.898 178.435 176.600 -0.105 0.000 1.050 202 K CA 1.156 57.346 56.287 -0.161 0.000 0.942 202 K CB 0.043 32.375 32.500 -0.280 0.000 0.724 202 K HN 0.402 nan 8.250 nan 0.000 0.446 203 E N -0.555 119.588 120.200 -0.096 0.000 2.086 203 E HA -0.083 4.273 4.350 0.010 0.000 0.190 203 E C 1.600 178.168 176.600 -0.054 0.000 0.975 203 E CA 1.422 57.780 56.400 -0.071 0.000 0.813 203 E CB 0.229 29.888 29.700 -0.069 0.000 0.768 203 E HN 0.346 nan 8.360 nan 0.000 0.457 204 T N -2.164 112.358 114.554 -0.053 0.000 3.160 204 T HA 0.134 4.490 4.350 0.010 0.000 0.257 204 T C 1.470 176.152 174.700 -0.030 0.000 1.147 204 T CA 0.383 62.459 62.100 -0.040 0.000 1.064 204 T CB 0.068 68.911 68.868 -0.042 0.000 0.949 204 T HN 0.266 nan 8.240 nan 0.000 0.526 205 G N 0.653 109.433 108.800 -0.032 0.000 2.203 205 G HA2 -0.285 3.681 3.960 0.010 0.000 0.263 205 G HA3 -0.285 3.681 3.960 0.010 0.000 0.263 205 G C 0.744 175.642 174.900 -0.003 0.000 1.012 205 G CA 0.302 45.391 45.100 -0.019 0.000 0.749 205 G HN 0.594 nan 8.290 nan 0.000 0.512 206 V N -0.516 119.398 119.914 -0.002 0.000 2.951 206 V HA 0.247 4.373 4.120 0.010 0.000 0.255 206 V C 1.489 177.608 176.094 0.042 0.000 1.088 206 V CA 1.368 63.681 62.300 0.023 0.000 1.109 206 V CB -0.015 31.821 31.823 0.022 0.000 0.724 206 V HN 0.501 nan 8.190 nan 0.000 0.471 207 I N 0.780 121.365 120.570 0.025 0.000 2.406 207 I HA 0.373 4.549 4.170 0.010 0.000 0.290 207 I C -0.623 175.502 176.117 0.013 0.000 0.999 207 I CA -0.235 61.090 61.300 0.042 0.000 1.124 207 I CB 1.674 39.711 38.000 0.060 0.000 1.289 207 I HN 0.069 nan 8.210 nan 0.000 0.441 208 N N 4.954 123.672 118.700 0.031 0.000 2.442 208 N HA 0.408 5.154 4.740 0.010 0.000 0.274 208 N C 0.661 176.188 175.510 0.029 0.000 1.002 208 N CA -0.499 52.561 53.050 0.017 0.000 0.910 208 N CB 1.691 40.190 38.487 0.020 0.000 1.244 208 N HN 0.517 nan 8.380 nan 0.000 0.492 209 L N 1.483 122.716 121.223 0.018 0.000 2.083 209 L HA -0.084 4.261 4.340 0.010 0.000 0.209 209 L C 1.233 178.121 176.870 0.030 0.000 1.083 209 L CA 1.245 56.105 54.840 0.033 0.000 0.752 209 L CB -0.001 42.071 42.059 0.022 0.000 0.899 209 L HN 0.562 nan 8.230 nan 0.000 0.433 210 E N -0.657 119.555 120.200 0.020 0.000 2.415 210 E HA 0.096 4.452 4.350 0.010 0.000 0.197 210 E C 1.101 177.715 176.600 0.023 0.000 1.007 210 E CA 0.483 56.894 56.400 0.019 0.000 0.890 210 E CB 0.431 30.138 29.700 0.012 0.000 0.891 210 E HN 0.396 nan 8.360 nan 0.000 0.496 211 G N -0.572 108.243 108.800 0.026 0.000 3.341 211 G HA2 0.280 4.245 3.960 0.010 0.000 0.177 211 G HA3 0.280 4.245 3.960 0.010 0.000 0.177 211 G C -0.360 174.566 174.900 0.042 0.000 1.236 211 G CA -0.483 44.635 45.100 0.030 0.000 0.888 211 G HN -0.104 nan 8.290 nan 0.000 0.644 212 E N -0.177 120.052 120.200 0.048 0.000 2.222 212 E HA 0.670 5.026 4.350 0.010 0.000 0.267 212 E C -1.019 175.626 176.600 0.075 0.000 0.963 212 E CA -0.459 55.983 56.400 0.068 0.000 0.837 212 E CB 1.904 31.649 29.700 0.076 0.000 1.183 212 E HN 0.180 nan 8.360 nan 0.000 0.403 213 S N 0.462 116.222 115.700 0.101 0.000 2.549 213 S HA 0.301 4.777 4.470 0.010 0.000 0.280 213 S C 0.456 175.150 174.600 0.157 0.000 1.109 213 S CA -0.742 57.523 58.200 0.108 0.000 0.905 213 S CB 1.743 65.004 63.200 0.103 0.000 1.081 213 S HN 0.324 nan 8.310 nan 0.000 0.477 214 K N 0.494 120.983 120.400 0.148 0.000 2.361 214 K HA 0.272 4.598 4.320 0.010 0.000 0.194 214 K C 0.034 176.756 176.600 0.202 0.000 1.032 214 K CA 0.301 56.708 56.287 0.199 0.000 1.048 214 K CB 0.670 33.238 32.500 0.114 0.000 0.842 214 K HN 0.299 nan 8.250 nan 0.000 0.526 215 V N 0.599 120.605 119.914 0.153 0.000 2.735 215 V HA 0.672 4.798 4.120 0.010 0.000 0.310 215 V C -1.728 174.449 176.094 0.137 0.000 1.061 215 V CA -0.846 61.543 62.300 0.149 0.000 0.913 215 V CB 1.797 33.711 31.823 0.151 0.000 1.005 215 V HN 0.108 nan 8.190 nan 0.000 0.428 216 A N 6.822 129.725 122.820 0.139 0.000 2.331 216 A HA 0.853 5.179 4.320 0.010 0.000 0.320 216 A C -1.110 176.537 177.584 0.105 0.000 1.138 216 A CA -0.612 51.500 52.037 0.125 0.000 0.790 216 A CB 0.969 20.057 19.000 0.147 0.000 1.206 216 A HN 0.837 nan 8.150 nan 0.000 0.470 217 L N 2.512 123.780 121.223 0.075 0.000 2.317 217 L HA 0.680 5.025 4.340 0.010 0.000 0.281 217 L C -0.856 175.961 176.870 -0.089 0.000 1.024 217 L CA -0.891 53.948 54.840 -0.002 0.000 0.810 217 L CB 1.813 43.931 42.059 0.099 0.000 1.240 217 L HN 0.410 nan 8.230 nan 0.000 0.427 218 V N 3.218 122.960 119.914 -0.287 0.000 2.569 218 V HA 0.472 4.598 4.120 0.010 0.000 0.301 218 V C -1.014 174.857 176.094 -0.372 0.000 1.044 218 V CA -0.436 61.739 62.300 -0.209 0.000 0.874 218 V CB 1.876 33.618 31.823 -0.134 0.000 1.002 218 V HN 0.389 nan 8.190 nan 0.000 0.424 219 F N 2.131 122.107 119.950 0.043 0.000 2.518 219 F HA 0.782 5.314 4.527 0.009 0.000 0.323 219 F C 0.635 176.451 175.800 0.026 0.000 1.129 219 F CA -0.702 57.328 58.000 0.050 0.000 0.920 219 F CB 2.589 41.613 39.000 0.041 0.000 1.160 219 F HN 0.534 nan 8.300 nan 0.000 0.440 220 G N 3.927 112.872 108.800 0.242 0.000 3.881 220 G HA2 0.335 4.301 3.960 0.010 0.000 0.319 220 G HA3 0.335 4.301 3.960 0.010 0.000 0.319 220 G C -0.696 174.286 174.900 0.136 0.000 1.472 220 G CA -0.471 44.713 45.100 0.141 0.000 0.851 220 G HN 0.304 nan 8.290 nan 0.000 0.495 221 Q N 0.842 120.723 119.800 0.134 0.000 2.397 221 Q HA 0.207 4.552 4.340 0.010 0.000 0.193 221 Q C 2.055 178.091 176.000 0.060 0.000 1.083 221 Q CA -0.597 55.271 55.803 0.107 0.000 1.108 221 Q CB 0.667 29.450 28.738 0.074 0.000 1.172 221 Q HN 0.708 nan 8.270 nan 0.000 0.617 222 M N -0.215 119.412 119.600 0.046 0.000 2.700 222 M HA -0.041 4.445 4.480 0.010 0.000 0.249 222 M C 0.617 176.926 176.300 0.015 0.000 1.082 222 M CA 1.177 56.492 55.300 0.025 0.000 1.077 222 M CB -0.333 32.277 32.600 0.017 0.000 1.477 222 M HN 0.344 nan 8.290 nan 0.000 0.529 223 N N 0.086 118.795 118.700 0.016 0.000 2.336 223 N HA 0.052 4.798 4.740 0.010 0.000 0.189 223 N C -0.280 175.236 175.510 0.010 0.000 1.113 223 N CA 0.219 53.274 53.050 0.009 0.000 0.858 223 N CB -0.104 38.385 38.487 0.003 0.000 0.970 223 N HN 0.405 nan 8.380 nan 0.000 0.471 224 E N 1.526 121.736 120.200 0.017 0.000 2.319 224 E HA 0.378 4.734 4.350 0.010 0.000 0.268 224 E C -2.224 174.382 176.600 0.011 0.000 1.050 224 E CA -1.977 54.433 56.400 0.017 0.000 0.878 224 E CB 0.740 30.457 29.700 0.029 0.000 1.066 224 E HN 0.142 nan 8.360 nan 0.000 0.406 225 P HA -0.005 nan 4.420 nan 0.000 0.270 225 P C -1.805 175.496 177.300 0.001 0.000 1.227 225 P CA -0.757 62.345 63.100 0.004 0.000 0.788 225 P CB 0.064 31.768 31.700 0.006 0.000 0.926 226 P HA -0.104 nan 4.420 nan 0.000 0.223 226 P C 1.382 178.675 177.300 -0.012 0.000 1.151 226 P CA 1.475 64.563 63.100 -0.019 0.000 0.787 226 P CB -0.370 31.312 31.700 -0.030 0.000 0.788 227 G N 0.966 109.767 108.800 0.001 0.000 2.404 227 G HA2 -0.198 3.767 3.960 0.010 0.000 0.215 227 G HA3 -0.198 3.767 3.960 0.010 0.000 0.215 227 G C 1.819 176.734 174.900 0.026 0.000 1.174 227 G CA 1.035 46.143 45.100 0.014 0.000 0.780 227 G HN 0.325 nan 8.290 nan 0.000 0.537 228 A N 0.927 123.762 122.820 0.024 0.000 1.883 228 A HA -0.058 4.268 4.320 0.010 0.000 0.217 228 A C 2.429 180.036 177.584 0.037 0.000 1.186 228 A CA 1.739 53.794 52.037 0.031 0.000 0.624 228 A CB -0.436 18.582 19.000 0.029 0.000 0.822 228 A HN 0.354 nan 8.150 nan 0.000 0.444 229 R N -0.659 119.859 120.500 0.030 0.000 2.152 229 R HA -0.020 4.326 4.340 0.010 0.000 0.232 229 R C 2.202 178.540 176.300 0.064 0.000 1.117 229 R CA 0.958 57.080 56.100 0.037 0.000 0.981 229 R CB -0.352 29.955 30.300 0.012 0.000 0.870 229 R HN 0.520 nan 8.270 nan 0.000 0.451 230 A N 0.478 123.328 122.820 0.049 0.000 2.119 230 A HA -0.014 4.312 4.320 0.010 0.000 0.216 230 A C 1.796 179.512 177.584 0.220 0.000 1.152 230 A CA 0.796 52.888 52.037 0.092 0.000 0.708 230 A CB 0.114 19.104 19.000 -0.018 0.000 0.805 230 A HN 0.047 nan 8.150 nan 0.000 0.460 231 R N -1.726 118.843 120.500 0.115 0.000 2.257 231 R HA 0.117 4.463 4.340 0.010 0.000 0.195 231 R C 1.815 178.112 176.300 -0.006 0.000 0.921 231 R CA 0.908 57.044 56.100 0.059 0.000 1.069 231 R CB -1.203 29.119 30.300 0.036 0.000 1.115 231 R HN 0.324 nan 8.270 nan 0.000 0.571 232 V N 1.842 121.761 119.914 0.009 0.000 2.660 232 V HA -0.220 3.906 4.120 0.010 0.000 0.257 232 V C 2.005 178.057 176.094 -0.070 0.000 1.088 232 V CA 2.082 64.370 62.300 -0.021 0.000 1.106 232 V CB -0.383 31.447 31.823 0.011 0.000 0.686 232 V HN 0.310 nan 8.190 nan 0.000 0.481 233 A N -0.642 122.124 122.820 -0.090 0.000 1.930 233 A HA 0.019 4.344 4.320 0.010 0.000 0.215 233 A C 2.067 179.529 177.584 -0.204 0.000 1.176 233 A CA 1.385 53.318 52.037 -0.173 0.000 0.632 233 A CB -0.386 18.464 19.000 -0.251 0.000 0.819 233 A HN 0.548 nan 8.150 nan 0.000 0.445 234 L N -0.541 120.558 121.223 -0.206 0.000 2.083 234 L HA -0.166 4.179 4.340 0.010 0.000 0.209 234 L C 2.716 179.481 176.870 -0.174 0.000 1.083 234 L CA 1.691 56.398 54.840 -0.222 0.000 0.752 234 L CB -1.048 40.839 42.059 -0.287 0.000 0.899 234 L HN 0.320 nan 8.230 nan 0.000 0.433 235 T N -0.138 114.332 114.554 -0.140 0.000 2.674 235 T HA -0.137 4.219 4.350 0.010 0.000 0.265 235 T C 1.842 176.482 174.700 -0.100 0.000 1.039 235 T CA 1.510 63.545 62.100 -0.109 0.000 1.150 235 T CB -0.552 68.268 68.868 -0.080 0.000 0.864 235 T HN 0.562 nan 8.240 nan 0.000 0.427 236 G N 1.026 109.761 108.800 -0.109 0.000 2.448 236 G HA2 -0.118 3.848 3.960 0.010 0.000 0.219 236 G HA3 -0.118 3.848 3.960 0.010 0.000 0.219 236 G C 1.475 176.323 174.900 -0.087 0.000 1.127 236 G CA 0.528 45.568 45.100 -0.100 0.000 0.766 236 G HN 0.401 nan 8.290 nan 0.000 0.552 237 L N 0.589 121.744 121.223 -0.112 0.000 2.209 237 L HA 0.182 4.528 4.340 0.010 0.000 0.207 237 L C 2.674 179.502 176.870 -0.070 0.000 1.094 237 L CA 1.944 56.721 54.840 -0.105 0.000 0.790 237 L CB -0.774 41.196 42.059 -0.148 0.000 0.932 237 L HN 0.098 nan 8.230 nan 0.000 0.447 238 T N -0.129 114.378 114.554 -0.079 0.000 2.812 238 T HA -0.055 4.300 4.350 0.010 0.000 0.264 238 T C 2.005 176.675 174.700 -0.050 0.000 1.042 238 T CA 1.690 63.752 62.100 -0.063 0.000 1.140 238 T CB -0.172 68.646 68.868 -0.083 0.000 0.870 238 T HN 0.270 nan 8.240 nan 0.000 0.445 239 I N 1.467 122.000 120.570 -0.061 0.000 2.163 239 I HA -0.215 3.961 4.170 0.010 0.000 0.243 239 I C 2.920 179.056 176.117 0.030 0.000 1.085 239 I CA 1.236 62.491 61.300 -0.075 0.000 1.347 239 I CB -0.484 37.506 38.000 -0.016 0.000 1.044 239 I HN 0.198 nan 8.210 nan 0.000 0.408 240 A N 0.310 123.190 122.820 0.101 0.000 1.933 240 A HA -0.218 4.108 4.320 0.010 0.000 0.218 240 A C 2.182 179.852 177.584 0.142 0.000 1.175 240 A CA 1.616 53.762 52.037 0.183 0.000 0.628 240 A CB -0.544 18.499 19.000 0.072 0.000 0.814 240 A HN 0.457 nan 8.150 nan 0.000 0.444 241 E N -1.939 118.294 120.200 0.054 0.000 2.150 241 E HA -0.172 4.184 4.350 0.010 0.000 0.193 241 E C 1.747 178.364 176.600 0.028 0.000 0.985 241 E CA 1.134 57.552 56.400 0.030 0.000 0.814 241 E CB -0.231 29.469 29.700 -0.001 0.000 0.752 241 E HN 0.807 nan 8.360 nan 0.000 0.466 242 Y N 0.221 120.441 120.300 -0.133 0.000 2.163 242 Y HA -0.233 4.323 4.550 0.010 0.000 0.288 242 Y C 1.776 177.576 175.900 -0.167 0.000 1.136 242 Y CA 1.439 59.411 58.100 -0.213 0.000 1.147 242 Y CB -0.161 38.070 38.460 -0.382 0.000 0.987 242 Y HN -0.061 nan 8.280 nan 0.000 0.509 243 F N 0.329 120.358 119.950 0.132 0.000 2.126 243 F HA -0.217 4.316 4.527 0.010 0.000 0.299 243 F C 2.727 178.548 175.800 0.036 0.000 1.096 243 F CA 1.955 60.009 58.000 0.090 0.000 1.255 243 F CB -0.883 38.202 39.000 0.142 0.000 0.997 243 F HN 0.000 nan 8.300 nan 0.000 0.479 244 R N 0.349 120.960 120.500 0.185 0.000 2.066 244 R HA -0.138 4.208 4.340 0.010 0.000 0.232 244 R C 1.680 177.983 176.300 0.006 0.000 1.131 244 R CA 2.025 58.178 56.100 0.089 0.000 0.955 244 R CB -0.289 30.045 30.300 0.057 0.000 0.851 244 R HN 0.195 nan 8.270 nan 0.000 0.432 245 D N -0.153 120.208 120.400 -0.064 0.000 2.202 245 D HA -0.075 4.571 4.640 0.010 0.000 0.214 245 D C 1.902 178.099 176.300 -0.172 0.000 0.967 245 D CA 0.821 54.757 54.000 -0.107 0.000 0.871 245 D CB -0.062 40.670 40.800 -0.112 0.000 1.020 245 D HN 0.226 nan 8.370 nan 0.000 0.474 246 E N 1.042 121.034 120.200 -0.347 0.000 2.086 246 E HA -0.030 4.326 4.350 0.010 0.000 0.190 246 E C 1.568 178.024 176.600 -0.241 0.000 0.975 246 E CA 0.578 56.718 56.400 -0.435 0.000 0.813 246 E CB -0.081 29.006 29.700 -1.022 0.000 0.768 246 E HN 0.444 nan 8.360 nan 0.000 0.457 247 E N 0.335 120.442 120.200 -0.155 0.000 2.479 247 E HA 0.125 4.480 4.350 0.010 0.000 0.193 247 E C 0.370 177.018 176.600 0.081 0.000 1.049 247 E CA 0.174 56.602 56.400 0.048 0.000 0.870 247 E CB 0.262 30.106 29.700 0.240 0.000 0.944 247 E HN 0.217 nan 8.360 nan 0.000 0.492 248 G N 2.767 111.584 108.800 0.029 0.000 2.395 248 G HA2 -0.266 3.699 3.960 0.010 0.000 0.292 248 G HA3 -0.266 3.699 3.960 0.010 0.000 0.292 248 G C -0.015 174.922 174.900 0.062 0.000 0.953 248 G CA 0.549 45.667 45.100 0.031 0.000 1.207 248 G HN 0.080 nan 8.290 nan 0.000 0.503 249 Q N -0.434 119.432 119.800 0.110 0.000 2.359 249 Q HA 0.391 4.737 4.340 0.010 0.000 0.275 249 Q C -0.725 175.327 176.000 0.088 0.000 1.082 249 Q CA -0.818 55.054 55.803 0.116 0.000 0.849 249 Q CB 1.577 30.467 28.738 0.255 0.000 1.377 249 Q HN 0.322 nan 8.270 nan 0.000 0.452 250 D N 1.140 121.566 120.400 0.043 0.000 2.365 250 D HA 0.267 4.913 4.640 0.010 0.000 0.237 250 D C -0.476 175.934 176.300 0.182 0.000 1.190 250 D CA -0.029 54.020 54.000 0.082 0.000 0.867 250 D CB 0.805 41.629 40.800 0.040 0.000 1.050 250 D HN 0.051 nan 8.370 nan 0.000 0.491 251 V N 2.776 122.771 119.914 0.135 0.000 2.617 251 V HA 0.392 4.518 4.120 0.010 0.000 0.298 251 V C 0.460 176.538 176.094 -0.027 0.000 1.048 251 V CA -0.875 61.488 62.300 0.105 0.000 0.964 251 V CB 1.628 33.522 31.823 0.119 0.000 1.004 251 V HN 0.340 nan 8.190 nan 0.000 0.466 252 L N 4.394 125.540 121.223 -0.127 0.000 2.305 252 L HA 0.520 4.865 4.340 0.010 0.000 0.284 252 L C -0.939 175.726 176.870 -0.342 0.000 1.013 252 L CA -0.571 54.053 54.840 -0.360 0.000 0.819 252 L CB 1.657 43.440 42.059 -0.461 0.000 1.227 252 L HN 0.443 nan 8.230 nan 0.000 0.417 253 L N 4.499 125.444 121.223 -0.464 0.000 2.316 253 L HA 0.543 4.889 4.340 0.010 0.000 0.280 253 L C -1.189 175.373 176.870 -0.515 0.000 1.006 253 L CA 0.049 54.679 54.840 -0.350 0.000 0.836 253 L CB 0.855 42.782 42.059 -0.221 0.000 1.221 253 L HN 0.181 nan 8.230 nan 0.000 0.418 254 F N 6.016 125.852 119.950 -0.189 0.000 2.427 254 F HA 0.577 5.110 4.527 0.009 0.000 0.346 254 F C 0.098 175.554 175.800 -0.575 0.000 1.120 254 F CA -0.423 57.409 58.000 -0.280 0.000 1.033 254 F CB 1.237 40.174 39.000 -0.105 0.000 1.126 254 F HN 0.235 nan 8.300 nan 0.000 0.462 255 I N 3.058 123.459 120.570 -0.281 0.000 2.436 255 I HA 0.317 4.493 4.170 0.010 0.000 0.289 255 I C -1.194 174.779 176.117 -0.239 0.000 1.010 255 I CA -0.546 60.539 61.300 -0.359 0.000 1.098 255 I CB 1.891 39.739 38.000 -0.254 0.000 1.266 255 I HN 0.404 nan 8.210 nan 0.000 0.434 256 D N 6.267 126.518 120.400 -0.249 0.000 2.476 256 D HA 0.260 4.906 4.640 0.010 0.000 0.251 256 D C -1.404 174.927 176.300 0.052 0.000 1.291 256 D CA -0.272 53.726 54.000 -0.003 0.000 0.939 256 D CB 1.187 42.101 40.800 0.189 0.000 1.221 256 D HN 0.431 nan 8.370 nan 0.000 0.567 257 N N 4.415 123.151 118.700 0.060 0.000 2.295 257 N HA 0.222 4.967 4.740 0.010 0.000 0.293 257 N C 0.432 175.977 175.510 0.059 0.000 1.040 257 N CA -0.459 52.633 53.050 0.070 0.000 0.840 257 N CB 1.808 40.381 38.487 0.144 0.000 1.468 257 N HN 0.446 nan 8.380 nan 0.000 0.478 258 I N 3.177 123.755 120.570 0.014 0.000 3.001 258 I HA -0.124 4.052 4.170 0.010 0.000 0.268 258 I C 1.488 177.665 176.117 0.099 0.000 1.267 258 I CA 0.382 61.687 61.300 0.008 0.000 1.472 258 I CB -0.087 37.859 38.000 -0.090 0.000 1.089 258 I HN 0.532 nan 8.210 nan 0.000 0.468 259 F N 1.944 121.908 119.950 0.024 0.000 2.216 259 F HA -0.187 4.347 4.527 0.010 0.000 0.300 259 F C 2.302 178.158 175.800 0.093 0.000 1.085 259 F CA 1.403 59.445 58.000 0.071 0.000 1.326 259 F CB -0.285 38.794 39.000 0.131 0.000 1.027 259 F HN -0.057 nan 8.300 nan 0.000 0.497 260 R N -0.142 120.299 120.500 -0.098 0.000 2.280 260 R HA -0.136 4.210 4.340 0.010 0.000 0.207 260 R C 2.065 178.290 176.300 -0.126 0.000 1.043 260 R CA 1.017 57.009 56.100 -0.179 0.000 1.006 260 R CB -1.315 28.986 30.300 0.003 0.000 0.885 260 R HN 0.498 nan 8.270 nan 0.000 0.467 261 F N 1.519 121.352 119.950 -0.195 0.000 2.206 261 F HA -0.086 4.447 4.527 0.009 0.000 0.298 261 F C 1.823 177.521 175.800 -0.169 0.000 1.090 261 F CA 1.305 59.216 58.000 -0.149 0.000 1.323 261 F CB -0.228 38.696 39.000 -0.126 0.000 1.028 261 F HN -0.192 nan 8.300 nan 0.000 0.492 262 T N 0.159 114.464 114.554 -0.415 0.000 2.896 262 T HA -0.174 4.182 4.350 0.010 0.000 0.263 262 T C 1.871 176.343 174.700 -0.380 0.000 1.050 262 T CA 1.414 63.216 62.100 -0.496 0.000 1.140 262 T CB -0.294 68.397 68.868 -0.296 0.000 0.877 262 T HN 0.465 nan 8.240 nan 0.000 0.457 263 Q N 0.705 120.221 119.800 -0.473 0.000 2.123 263 Q HA 0.012 4.358 4.340 0.010 0.000 0.199 263 Q C 2.431 178.307 176.000 -0.206 0.000 0.966 263 Q CA 1.186 56.791 55.803 -0.330 0.000 0.845 263 Q CB -0.245 28.182 28.738 -0.519 0.000 0.907 263 Q HN 0.503 nan 8.270 nan 0.000 0.439 264 A N 0.583 123.266 122.820 -0.229 0.000 1.933 264 A HA -0.082 4.244 4.320 0.010 0.000 0.218 264 A C 2.267 179.747 177.584 -0.173 0.000 1.175 264 A CA 1.484 53.426 52.037 -0.159 0.000 0.628 264 A CB -1.259 17.665 19.000 -0.127 0.000 0.814 264 A HN 0.595 nan 8.150 nan 0.000 0.444 265 G N -0.100 108.533 108.800 -0.277 0.000 2.450 265 G HA2 -0.204 3.762 3.960 0.010 0.000 0.220 265 G HA3 -0.204 3.762 3.960 0.010 0.000 0.220 265 G C 1.888 176.710 174.900 -0.130 0.000 1.130 265 G CA 1.744 46.692 45.100 -0.254 0.000 0.760 265 G HN 0.902 nan 8.290 nan 0.000 0.557 266 S N -0.035 115.611 115.700 -0.090 0.000 2.496 266 S HA 0.094 4.570 4.470 0.010 0.000 0.224 266 S C 1.813 176.377 174.600 -0.060 0.000 0.996 266 S CA 0.998 59.176 58.200 -0.037 0.000 0.927 266 S CB -0.030 63.168 63.200 -0.003 0.000 0.774 266 S HN 0.534 nan 8.310 nan 0.000 0.524 267 E N 0.981 121.139 120.200 -0.069 0.000 2.274 267 E HA -0.045 4.310 4.350 0.010 0.000 0.194 267 E C 1.861 178.436 176.600 -0.042 0.000 0.996 267 E CA 1.308 57.676 56.400 -0.054 0.000 0.840 267 E CB -0.017 29.653 29.700 -0.051 0.000 0.772 267 E HN 0.695 nan 8.360 nan 0.000 0.491 268 V N -3.197 116.690 119.914 -0.044 0.000 3.605 268 V HA 0.163 4.289 4.120 0.010 0.000 0.284 268 V C 1.947 178.026 176.094 -0.025 0.000 1.386 268 V CA 0.488 62.769 62.300 -0.031 0.000 1.053 268 V CB 0.787 32.592 31.823 -0.029 0.000 0.857 268 V HN 0.032 nan 8.190 nan 0.000 0.436 269 S N 1.507 117.190 115.700 -0.028 0.000 2.370 269 S HA -0.156 4.320 4.470 0.010 0.000 0.226 269 S C 2.145 176.739 174.600 -0.010 0.000 1.033 269 S CA 2.259 60.449 58.200 -0.017 0.000 1.011 269 S CB -0.367 62.827 63.200 -0.011 0.000 0.852 269 S HN 0.997 nan 8.310 nan 0.000 0.457 270 A N 1.138 123.950 122.820 -0.013 0.000 1.897 270 A HA 0.131 4.457 4.320 0.010 0.000 0.215 270 A C 2.131 179.711 177.584 -0.007 0.000 1.181 270 A CA 1.187 53.219 52.037 -0.009 0.000 0.620 270 A CB -0.728 18.264 19.000 -0.014 0.000 0.821 270 A HN 0.564 nan 8.150 nan 0.000 0.443 271 L N -0.633 120.585 121.223 -0.008 0.000 2.265 271 L HA -0.092 4.253 4.340 0.010 0.000 0.215 271 L C 2.019 178.889 176.870 0.000 0.000 1.117 271 L CA 0.583 55.421 54.840 -0.004 0.000 0.782 271 L CB -0.368 41.687 42.059 -0.006 0.000 0.914 271 L HN 0.344 nan 8.230 nan 0.000 0.441 272 L N -0.449 120.774 121.223 -0.001 0.000 2.599 272 L HA 0.104 4.450 4.340 0.010 0.000 0.230 272 L C 1.367 178.241 176.870 0.006 0.000 1.141 272 L CA 0.544 55.386 54.840 0.004 0.000 0.877 272 L CB -0.227 41.832 42.059 0.000 0.000 1.009 272 L HN 0.480 nan 8.230 nan 0.000 0.447 273 G N 0.619 109.421 108.800 0.004 0.000 2.132 273 G HA2 -0.265 3.701 3.960 0.010 0.000 0.228 273 G HA3 -0.265 3.701 3.960 0.010 0.000 0.228 273 G C 0.119 175.023 174.900 0.006 0.000 1.000 273 G CA -0.291 44.812 45.100 0.006 0.000 0.693 273 G HN 0.314 nan 8.290 nan 0.000 0.515 274 R N -0.541 119.962 120.500 0.005 0.000 2.459 274 R HA 0.628 4.974 4.340 0.010 0.000 0.281 274 R C 0.889 177.194 176.300 0.008 0.000 1.050 274 R CA -0.678 55.426 56.100 0.007 0.000 1.055 274 R CB 0.893 31.197 30.300 0.008 0.000 1.045 274 R HN 0.289 nan 8.270 nan 0.000 0.495 275 I N 5.026 125.602 120.570 0.010 0.000 2.505 275 I HA 0.082 4.258 4.170 0.010 0.000 0.287 275 I C -1.542 174.585 176.117 0.017 0.000 1.104 275 I CA -1.638 59.669 61.300 0.012 0.000 1.387 275 I CB 0.258 38.266 38.000 0.013 0.000 1.404 275 I HN 0.352 nan 8.210 nan 0.000 0.528 276 P HA -0.022 nan 4.420 nan 0.000 0.265 276 P C -0.164 177.158 177.300 0.036 0.000 1.187 276 P CA 0.071 63.184 63.100 0.022 0.000 0.766 276 P CB 1.007 32.711 31.700 0.007 0.000 0.820 277 S N 1.323 117.059 115.700 0.061 0.000 2.623 277 S HA 0.562 5.038 4.470 0.010 0.000 0.278 277 S C 0.072 174.725 174.600 0.088 0.000 1.148 277 S CA -0.272 57.972 58.200 0.074 0.000 1.028 277 S CB 0.087 63.341 63.200 0.090 0.000 1.145 277 S HN 0.643 nan 8.310 nan 0.000 0.523 278 A N 0.412 123.293 122.820 0.101 0.000 2.584 278 A HA 0.328 4.654 4.320 0.010 0.000 0.239 278 A C 1.053 178.728 177.584 0.152 0.000 1.043 278 A CA 0.542 52.645 52.037 0.109 0.000 0.756 278 A CB -0.990 18.075 19.000 0.109 0.000 0.963 278 A HN 1.626 nan 8.150 nan 0.000 0.511 279 V N 1.444 121.412 119.914 0.090 0.000 2.886 279 V HA -0.318 3.808 4.120 0.010 0.000 0.162 279 V C 1.840 177.890 176.094 -0.075 0.000 0.448 279 V CA 1.720 64.050 62.300 0.050 0.000 1.186 279 V CB -2.366 29.548 31.823 0.152 0.000 1.373 279 V HN 2.955 nan 8.190 nan 0.000 1.100 280 G N -2.673 106.108 108.800 -0.032 0.000 2.159 280 G HA2 -0.337 3.629 3.960 0.010 0.000 0.256 280 G HA3 -0.337 3.629 3.960 0.010 0.000 0.256 280 G C -0.144 174.681 174.900 -0.126 0.000 0.977 280 G CA 0.332 45.383 45.100 -0.083 0.000 0.652 280 G HN 0.876 nan 8.290 nan 0.000 0.531 281 Y N 1.692 122.003 120.300 0.019 0.000 2.426 281 Y HA 0.345 4.901 4.550 0.009 0.000 0.344 281 Y C 1.510 177.406 175.900 -0.007 0.000 1.256 281 Y CA 0.067 58.170 58.100 0.004 0.000 1.451 281 Y CB 0.471 38.942 38.460 0.019 0.000 1.342 281 Y HN 0.449 nan 8.280 nan 0.000 0.600 282 Q N 2.895 122.806 119.800 0.184 0.000 2.361 282 Q HA 0.035 4.381 4.340 0.010 0.000 0.276 282 Q C -2.328 173.717 176.000 0.074 0.000 1.022 282 Q CA -1.458 54.393 55.803 0.080 0.000 0.898 282 Q CB 0.493 29.248 28.738 0.030 0.000 1.246 282 Q HN 0.389 nan 8.270 nan 0.000 0.410 283 P HA -0.089 nan 4.420 nan 0.000 0.222 283 P C 0.817 178.135 177.300 0.031 0.000 1.147 283 P CA 1.494 64.619 63.100 0.041 0.000 0.790 283 P CB -0.012 31.706 31.700 0.030 0.000 0.780 284 T N -3.999 110.568 114.554 0.022 0.000 3.188 284 T HA 0.158 4.513 4.350 0.010 0.000 0.250 284 T C 1.466 176.173 174.700 0.012 0.000 1.077 284 T CA -0.293 61.817 62.100 0.017 0.000 0.967 284 T CB -0.979 67.895 68.868 0.010 0.000 1.006 284 T HN -0.025 nan 8.240 nan 0.000 0.552 285 L N 1.125 122.350 121.223 0.003 0.000 1.997 285 L HA -0.173 4.173 4.340 0.010 0.000 0.216 285 L C 2.778 179.654 176.870 0.010 0.000 1.074 285 L CA 2.164 56.986 54.840 -0.030 0.000 0.763 285 L CB -0.666 41.345 42.059 -0.080 0.000 0.890 285 L HN 0.408 nan 8.230 nan 0.000 0.434 286 A N -0.972 121.868 122.820 0.033 0.000 1.854 286 A HA -0.194 4.131 4.320 0.010 0.000 0.214 286 A C 2.338 179.980 177.584 0.097 0.000 1.192 286 A CA 2.137 54.218 52.037 0.074 0.000 0.611 286 A CB -1.212 17.828 19.000 0.066 0.000 0.832 286 A HN 0.618 nan 8.150 nan 0.000 0.442 287 T N -2.093 112.504 114.554 0.072 0.000 2.857 287 T HA -0.111 4.245 4.350 0.010 0.000 0.266 287 T C 1.264 176.014 174.700 0.084 0.000 1.048 287 T CA 1.420 63.565 62.100 0.074 0.000 1.139 287 T CB -0.489 68.410 68.868 0.052 0.000 0.874 287 T HN 0.321 nan 8.240 nan 0.000 0.455 288 D N 0.815 121.269 120.400 0.090 0.000 2.182 288 D HA -0.026 4.620 4.640 0.010 0.000 0.201 288 D C 1.882 178.322 176.300 0.233 0.000 0.986 288 D CA 0.861 54.951 54.000 0.151 0.000 0.847 288 D CB -0.344 40.512 40.800 0.093 0.000 0.942 288 D HN 0.402 nan 8.370 nan 0.000 0.467 289 M N -0.089 119.612 119.600 0.168 0.000 2.236 289 M HA -0.001 4.485 4.480 0.010 0.000 0.266 289 M C 1.985 178.225 176.300 -0.100 0.000 1.070 289 M CA 1.504 56.867 55.300 0.105 0.000 1.137 289 M CB 0.038 32.691 32.600 0.089 0.000 1.378 289 M HN 0.027 nan 8.290 nan 0.000 0.426 290 G N 0.484 109.289 108.800 0.008 0.000 2.402 290 G HA2 -0.163 3.802 3.960 0.010 0.000 0.216 290 G HA3 -0.163 3.802 3.960 0.010 0.000 0.216 290 G C 1.364 176.256 174.900 -0.014 0.000 1.162 290 G CA 0.497 45.614 45.100 0.029 0.000 0.777 290 G HN 0.425 nan 8.290 nan 0.000 0.539 291 L N -0.267 120.966 121.223 0.016 0.000 2.129 291 L HA -0.105 4.241 4.340 0.010 0.000 0.212 291 L C 2.624 179.458 176.870 -0.060 0.000 1.087 291 L CA 0.709 55.554 54.840 0.008 0.000 0.757 291 L CB -0.345 41.746 42.059 0.054 0.000 0.896 291 L HN 0.289 nan 8.230 nan 0.000 0.434 292 L N -0.888 120.250 121.223 -0.141 0.000 2.062 292 L HA -0.098 4.247 4.340 0.010 0.000 0.202 292 L C 2.458 179.167 176.870 -0.267 0.000 1.079 292 L CA 1.518 56.188 54.840 -0.284 0.000 0.755 292 L CB -0.717 40.987 42.059 -0.592 0.000 0.913 292 L HN 0.030 nan 8.230 nan 0.000 0.445 293 Q N 0.213 119.818 119.800 -0.326 0.000 2.112 293 Q HA -0.208 4.137 4.340 0.010 0.000 0.206 293 Q C 2.093 178.003 176.000 -0.151 0.000 0.987 293 Q CA 1.975 57.583 55.803 -0.324 0.000 0.858 293 Q CB -0.255 28.068 28.738 -0.691 0.000 0.905 293 Q HN 0.552 nan 8.270 nan 0.000 0.420 294 E N -0.557 119.593 120.200 -0.084 0.000 2.409 294 E HA -0.123 4.232 4.350 0.010 0.000 0.198 294 E C 1.763 178.347 176.600 -0.026 0.000 1.024 294 E CA 0.479 56.877 56.400 -0.003 0.000 0.861 294 E CB 0.050 29.775 29.700 0.040 0.000 0.788 294 E HN 0.361 nan 8.360 nan 0.000 0.521 295 R N 0.238 120.700 120.500 -0.064 0.000 2.100 295 R HA 0.125 4.471 4.340 0.010 0.000 0.220 295 R C 1.219 177.479 176.300 -0.067 0.000 1.091 295 R CA 0.295 56.358 56.100 -0.061 0.000 0.986 295 R CB 0.061 30.314 30.300 -0.080 0.000 0.888 295 R HN 0.068 nan 8.270 nan 0.000 0.444 296 I N 2.137 122.652 120.570 -0.093 0.000 2.501 296 I HA -0.028 4.148 4.170 0.010 0.000 0.305 296 I C 0.221 176.298 176.117 -0.066 0.000 1.197 296 I CA 0.446 61.689 61.300 -0.095 0.000 1.793 296 I CB -0.264 37.656 38.000 -0.133 0.000 1.521 296 I HN 0.036 nan 8.210 nan 0.000 0.843 297 T N 2.469 116.995 114.554 -0.048 0.000 2.762 297 T HA 0.353 4.709 4.350 0.010 0.000 0.301 297 T C -0.400 174.283 174.700 -0.029 0.000 1.299 297 T CA -0.322 61.758 62.100 -0.033 0.000 1.005 297 T CB 2.016 70.873 68.868 -0.018 0.000 1.377 297 T HN 0.215 nan 8.240 nan 0.000 0.504 298 T N 2.368 116.906 114.554 -0.025 0.000 2.837 298 T HA 0.666 5.022 4.350 0.010 0.000 0.285 298 T C 0.145 174.828 174.700 -0.027 0.000 0.984 298 T CA -0.357 61.730 62.100 -0.021 0.000 1.049 298 T CB 1.025 69.881 68.868 -0.019 0.000 0.947 298 T HN 0.882 nan 8.240 nan 0.000 0.472 299 T N 0.007 114.545 114.554 -0.026 0.000 2.773 299 T HA 0.483 4.838 4.350 0.010 0.000 0.278 299 T C 0.977 175.656 174.700 -0.035 0.000 1.011 299 T CA -0.982 61.097 62.100 -0.036 0.000 1.014 299 T CB 1.331 70.180 68.868 -0.033 0.000 1.293 299 T HN 0.380 nan 8.240 nan 0.000 0.554 300 K N 0.011 120.386 120.400 -0.041 0.000 2.288 300 K HA 0.050 4.376 4.320 0.010 0.000 0.201 300 K C 2.048 178.631 176.600 -0.028 0.000 1.048 300 K CA 0.786 57.051 56.287 -0.037 0.000 0.956 300 K CB -0.051 32.424 32.500 -0.042 0.000 0.746 300 K HN 0.471 nan 8.250 nan 0.000 0.461 301 K N 0.006 120.390 120.400 -0.027 0.000 2.167 301 K HA 0.003 4.329 4.320 0.010 0.000 0.203 301 K C 0.930 177.521 176.600 -0.014 0.000 1.052 301 K CA 0.741 57.013 56.287 -0.025 0.000 0.956 301 K CB 0.432 32.913 32.500 -0.033 0.000 0.735 301 K HN 0.194 nan 8.250 nan 0.000 0.451 302 G N -0.401 108.394 108.800 -0.009 0.000 2.495 302 G HA2 0.280 4.245 3.960 0.010 0.000 0.294 302 G HA3 0.280 4.245 3.960 0.010 0.000 0.294 302 G C -1.730 173.174 174.900 0.007 0.000 1.397 302 G CA -0.587 44.517 45.100 0.007 0.000 0.790 302 G HN -0.037 nan 8.290 nan 0.000 0.486 303 S N -1.253 114.460 115.700 0.020 0.000 2.526 303 S HA 0.759 5.234 4.470 0.010 0.000 0.293 303 S C -1.150 173.462 174.600 0.020 0.000 1.092 303 S CA -0.579 57.629 58.200 0.014 0.000 0.980 303 S CB 1.935 65.143 63.200 0.014 0.000 1.048 303 S HN 1.167 nan 8.310 nan 0.000 0.483 304 V N 3.795 123.706 119.914 -0.006 0.000 2.483 304 V HA 0.491 4.617 4.120 0.010 0.000 0.297 304 V C -0.249 175.804 176.094 -0.069 0.000 1.027 304 V CA -0.559 61.722 62.300 -0.033 0.000 0.855 304 V CB 1.827 33.626 31.823 -0.040 0.000 0.995 304 V HN 0.992 nan 8.190 nan 0.000 0.424 305 T N 3.988 118.475 114.554 -0.112 0.000 2.749 305 T HA 0.544 4.899 4.350 0.010 0.000 0.287 305 T C -0.010 174.524 174.700 -0.276 0.000 0.970 305 T CA -0.374 61.630 62.100 -0.160 0.000 0.980 305 T CB 1.085 69.862 68.868 -0.152 0.000 0.924 305 T HN 0.831 nan 8.240 nan 0.000 0.456 306 S N 1.975 117.519 115.700 -0.260 0.000 2.521 306 S HA 0.767 5.243 4.470 0.010 0.000 0.295 306 S C -0.759 173.657 174.600 -0.307 0.000 1.098 306 S CA -0.828 57.180 58.200 -0.320 0.000 0.999 306 S CB 1.560 64.621 63.200 -0.232 0.000 1.034 306 S HN 0.386 nan 8.310 nan 0.000 0.483 307 V N 2.825 122.540 119.914 -0.332 0.000 2.407 307 V HA 0.462 4.588 4.120 0.010 0.000 0.291 307 V C -0.652 175.379 176.094 -0.105 0.000 1.018 307 V CA -0.475 61.720 62.300 -0.174 0.000 0.842 307 V CB 1.297 33.131 31.823 0.017 0.000 0.996 307 V HN 0.959 nan 8.190 nan 0.000 0.426 308 Q N 2.964 122.684 119.800 -0.133 0.000 2.331 308 Q HA 0.728 5.074 4.340 0.010 0.000 0.267 308 Q C -0.143 175.776 176.000 -0.136 0.000 1.006 308 Q CA -0.543 55.175 55.803 -0.142 0.000 0.818 308 Q CB 2.436 31.062 28.738 -0.187 0.000 1.276 308 Q HN 0.900 nan 8.270 nan 0.000 0.450 309 A N 2.442 125.216 122.820 -0.077 0.000 2.450 309 A HA 0.417 4.743 4.320 0.010 0.000 0.255 309 A C -0.291 177.213 177.584 -0.134 0.000 1.096 309 A CA -0.295 51.703 52.037 -0.066 0.000 0.778 309 A CB 0.380 19.406 19.000 0.043 0.000 1.031 309 A HN 0.514 nan 8.150 nan 0.000 0.494 310 V N 4.297 124.053 119.914 -0.263 0.000 2.325 310 V HA 0.130 4.256 4.120 0.010 0.000 0.280 310 V C -0.460 175.540 176.094 -0.157 0.000 1.016 310 V CA -0.506 61.596 62.300 -0.330 0.000 0.818 310 V CB 0.344 31.573 31.823 -0.988 0.000 1.019 310 V HN 0.803 nan 8.190 nan 0.000 0.434 311 Y N 4.729 124.960 120.300 -0.115 0.000 2.620 311 Y HA 0.265 4.821 4.550 0.010 0.000 0.330 311 Y C 0.202 175.849 175.900 -0.421 0.000 1.186 311 Y CA 0.389 58.349 58.100 -0.232 0.000 1.467 311 Y CB 0.919 39.215 38.460 -0.273 0.000 1.262 311 Y HN 0.413 nan 8.280 nan 0.000 0.550 312 V N 9.540 128.946 119.914 -0.846 0.000 2.311 312 V HA 0.274 4.400 4.120 0.010 0.000 0.275 312 V C -2.232 173.367 176.094 -0.826 0.000 1.022 312 V CA -2.088 59.853 62.300 -0.597 0.000 0.830 312 V CB 0.828 32.493 31.823 -0.263 0.000 1.012 312 V HN 0.697 nan 8.190 nan 0.000 0.452 313 P HA 0.255 nan 4.420 nan 0.000 0.271 313 P C 0.481 177.720 177.300 -0.102 0.000 1.220 313 P CA 0.375 63.366 63.100 -0.181 0.000 0.768 313 P CB 0.912 32.645 31.700 0.054 0.000 0.848 314 A N 3.816 126.602 122.820 -0.056 0.000 2.822 314 A HA -0.236 4.090 4.320 0.010 0.000 0.287 314 A C 0.769 178.319 177.584 -0.057 0.000 1.479 314 A CA 0.980 53.002 52.037 -0.024 0.000 0.779 314 A CB -2.672 16.339 19.000 0.018 0.000 1.022 314 A HN 0.612 nan 8.150 nan 0.000 0.532 315 D N -1.449 118.877 120.400 -0.123 0.000 2.860 315 D HA -0.194 4.451 4.640 0.010 0.000 0.229 315 D C -0.188 176.077 176.300 -0.059 0.000 1.169 315 D CA 2.185 56.122 54.000 -0.105 0.000 0.737 315 D CB -0.965 39.795 40.800 -0.066 0.000 1.080 315 D HN 0.981 nan 8.370 nan 0.000 0.424 316 D N -0.066 120.306 120.400 -0.046 0.000 2.454 316 D HA 0.261 4.907 4.640 0.010 0.000 0.225 316 D C 1.298 177.619 176.300 0.036 0.000 1.081 316 D CA -0.498 53.504 54.000 0.003 0.000 0.864 316 D CB 0.309 41.125 40.800 0.026 0.000 1.040 316 D HN 0.058 nan 8.370 nan 0.000 0.517 317 L N 2.460 123.713 121.223 0.049 0.000 2.456 317 L HA -0.041 4.304 4.340 0.010 0.000 0.224 317 L C 2.212 179.168 176.870 0.143 0.000 1.148 317 L CA 1.268 56.182 54.840 0.124 0.000 0.825 317 L CB -0.354 41.768 42.059 0.105 0.000 0.937 317 L HN 0.513 nan 8.230 nan 0.000 0.450 318 T N -4.661 109.943 114.554 0.083 0.000 3.129 318 T HA -0.046 4.309 4.350 0.010 0.000 0.251 318 T C 0.762 175.528 174.700 0.111 0.000 1.117 318 T CA -0.416 61.731 62.100 0.080 0.000 1.034 318 T CB -0.311 68.581 68.868 0.040 0.000 0.968 318 T HN 0.155 nan 8.240 nan 0.000 0.526 319 D N 2.622 123.102 120.400 0.133 0.000 2.455 319 D HA 0.057 4.703 4.640 0.010 0.000 0.241 319 D C -1.452 174.938 176.300 0.149 0.000 1.138 319 D CA -1.688 52.416 54.000 0.175 0.000 0.877 319 D CB 1.661 42.585 40.800 0.206 0.000 1.187 319 D HN 0.007 nan 8.370 nan 0.000 0.451 320 P HA -0.195 nan 4.420 nan 0.000 0.217 320 P C 0.844 178.073 177.300 -0.119 0.000 1.151 320 P CA 1.999 65.075 63.100 -0.039 0.000 0.849 320 P CB 0.101 31.716 31.700 -0.141 0.000 0.787 321 A N 0.360 123.071 122.820 -0.181 0.000 1.828 321 A HA -0.123 4.203 4.320 0.010 0.000 0.215 321 A C 0.032 177.700 177.584 0.139 0.000 1.203 321 A CA 2.392 54.415 52.037 -0.024 0.000 0.614 321 A CB -2.221 16.918 19.000 0.232 0.000 0.844 321 A HN 0.204 nan 8.150 nan 0.000 0.445 322 P HA -0.173 nan 4.420 nan 0.000 0.215 322 P C 1.647 179.132 177.300 0.309 0.000 1.153 322 P CA 2.191 65.439 63.100 0.247 0.000 0.853 322 P CB -0.273 31.600 31.700 0.289 0.000 0.788 323 A N 0.073 123.092 122.820 0.330 0.000 1.917 323 A HA -0.179 4.146 4.320 0.010 0.000 0.219 323 A C 2.304 180.100 177.584 0.353 0.000 1.182 323 A CA 2.748 55.027 52.037 0.404 0.000 0.633 323 A CB -1.992 17.137 19.000 0.215 0.000 0.819 323 A HN 0.257 nan 8.150 nan 0.000 0.448 324 T N -0.450 114.231 114.554 0.212 0.000 2.995 324 T HA -0.058 4.298 4.350 0.010 0.000 0.269 324 T C 1.809 176.657 174.700 0.246 0.000 1.091 324 T CA 1.593 63.803 62.100 0.184 0.000 1.128 324 T CB -0.398 68.545 68.868 0.125 0.000 0.891 324 T HN 0.566 nan 8.240 nan 0.000 0.492 325 T N 1.839 116.531 114.554 0.229 0.000 2.867 325 T HA 0.019 4.375 4.350 0.010 0.000 0.268 325 T C 1.481 176.321 174.700 0.233 0.000 1.057 325 T CA 0.664 62.893 62.100 0.214 0.000 1.136 325 T CB -0.512 68.381 68.868 0.041 0.000 0.874 325 T HN 0.286 nan 8.240 nan 0.000 0.466 326 F N 2.210 122.333 119.950 0.289 0.000 2.063 326 F HA -0.208 4.325 4.527 0.009 0.000 0.298 326 F C 2.690 178.541 175.800 0.085 0.000 1.105 326 F CA 1.369 59.467 58.000 0.164 0.000 1.215 326 F CB -0.909 38.086 39.000 -0.009 0.000 0.972 326 F HN 0.159 nan 8.300 nan 0.000 0.483 327 A N -1.737 121.184 122.820 0.169 0.000 2.172 327 A HA -0.137 4.189 4.320 0.010 0.000 0.216 327 A C 1.589 179.116 177.584 -0.096 0.000 1.154 327 A CA 1.013 53.049 52.037 -0.000 0.000 0.701 327 A CB -0.976 17.966 19.000 -0.096 0.000 0.789 327 A HN 0.502 nan 8.150 nan 0.000 0.465 328 H N -0.952 118.170 119.070 0.087 0.000 2.547 328 H HA 0.282 4.844 4.556 0.009 0.000 0.266 328 H C -0.360 174.987 175.328 0.031 0.000 0.988 328 H CA 0.432 56.506 56.048 0.043 0.000 1.147 328 H CB -0.009 29.761 29.762 0.014 0.000 1.365 328 H HN 0.339 nan 8.280 nan 0.000 0.589 329 L N 0.465 121.773 121.223 0.140 0.000 2.365 329 L HA 0.196 4.542 4.340 0.010 0.000 0.273 329 L C 0.884 177.805 176.870 0.086 0.000 1.000 329 L CA -0.604 54.297 54.840 0.103 0.000 0.819 329 L CB 2.336 44.473 42.059 0.130 0.000 1.284 329 L HN -0.108 nan 8.230 nan 0.000 0.418 330 D N 1.760 122.193 120.400 0.054 0.000 2.194 330 D HA 0.062 4.708 4.640 0.010 0.000 0.204 330 D C 0.441 176.789 176.300 0.080 0.000 0.964 330 D CA 0.852 54.885 54.000 0.056 0.000 0.846 330 D CB 0.646 41.467 40.800 0.036 0.000 0.962 330 D HN 0.541 nan 8.370 nan 0.000 0.490 331 A N 0.462 123.331 122.820 0.081 0.000 2.422 331 A HA 0.557 4.883 4.320 0.010 0.000 0.302 331 A C -0.511 177.159 177.584 0.144 0.000 1.041 331 A CA -0.608 51.511 52.037 0.137 0.000 0.708 331 A CB 1.658 20.796 19.000 0.229 0.000 1.257 331 A HN -0.003 nan 8.150 nan 0.000 0.414 332 T N -0.369 114.297 114.554 0.187 0.000 2.841 332 T HA 0.686 5.042 4.350 0.010 0.000 0.285 332 T C -0.370 174.448 174.700 0.195 0.000 0.991 332 T CA -0.383 61.848 62.100 0.217 0.000 0.966 332 T CB 1.082 70.080 68.868 0.216 0.000 0.962 332 T HN 1.027 nan 8.240 nan 0.000 0.438 333 T N 0.306 114.976 114.554 0.193 0.000 2.772 333 T HA 0.586 4.942 4.350 0.010 0.000 0.288 333 T C -0.192 174.565 174.700 0.094 0.000 0.994 333 T CA -0.779 61.387 62.100 0.109 0.000 0.951 333 T CB 0.956 69.856 68.868 0.053 0.000 0.933 333 T HN 0.557 nan 8.240 nan 0.000 0.447 334 V N 5.392 125.350 119.914 0.073 0.000 2.350 334 V HA 0.333 4.459 4.120 0.010 0.000 0.276 334 V C 0.238 176.356 176.094 0.040 0.000 1.028 334 V CA -0.812 61.534 62.300 0.077 0.000 0.860 334 V CB 0.690 32.528 31.823 0.026 0.000 0.990 334 V HN 0.826 nan 8.190 nan 0.000 0.453 335 L N 4.099 125.347 121.223 0.042 0.000 2.350 335 L HA 0.551 4.897 4.340 0.010 0.000 0.275 335 L C 0.475 177.355 176.870 0.017 0.000 1.099 335 L CA 0.210 55.066 54.840 0.027 0.000 0.808 335 L CB 1.594 43.674 42.059 0.036 0.000 1.149 335 L HN 0.688 nan 8.230 nan 0.000 0.442 336 S N 2.222 117.922 115.700 -0.001 0.000 2.502 336 S HA 0.333 4.809 4.470 0.010 0.000 0.304 336 S C 0.654 175.235 174.600 -0.031 0.000 1.097 336 S CA -0.806 57.383 58.200 -0.017 0.000 1.045 336 S CB 1.770 64.956 63.200 -0.023 0.000 1.019 336 S HN 0.725 nan 8.310 nan 0.000 0.481 337 R N 3.277 123.761 120.500 -0.028 0.000 2.092 337 R HA -0.009 4.337 4.340 0.010 0.000 0.231 337 R C 2.046 178.323 176.300 -0.038 0.000 1.119 337 R CA 1.899 57.983 56.100 -0.027 0.000 0.970 337 R CB -0.990 29.297 30.300 -0.021 0.000 0.864 337 R HN 0.844 nan 8.270 nan 0.000 0.440 338 G N 1.207 109.985 108.800 -0.038 0.000 2.446 338 G HA2 -0.238 3.728 3.960 0.010 0.000 0.217 338 G HA3 -0.238 3.728 3.960 0.010 0.000 0.217 338 G C 1.450 176.319 174.900 -0.052 0.000 1.168 338 G CA 0.888 45.964 45.100 -0.040 0.000 0.771 338 G HN 0.259 nan 8.290 nan 0.000 0.551 339 I N 1.657 122.189 120.570 -0.063 0.000 2.353 339 I HA -0.149 4.027 4.170 0.010 0.000 0.248 339 I C 3.112 179.130 176.117 -0.166 0.000 1.119 339 I CA 1.530 62.780 61.300 -0.082 0.000 1.417 339 I CB -0.320 37.642 38.000 -0.062 0.000 1.078 339 I HN 0.376 nan 8.210 nan 0.000 0.421 340 S N 0.131 115.709 115.700 -0.205 0.000 2.428 340 S HA -0.130 4.346 4.470 0.010 0.000 0.230 340 S C 1.650 176.117 174.600 -0.222 0.000 1.014 340 S CA 0.744 58.712 58.200 -0.386 0.000 0.957 340 S CB -0.339 62.718 63.200 -0.238 0.000 0.784 340 S HN 0.458 nan 8.310 nan 0.000 0.499 341 E N 0.540 120.683 120.200 -0.096 0.000 2.427 341 E HA 0.177 4.532 4.350 0.010 0.000 0.196 341 E C 1.287 177.870 176.600 -0.029 0.000 1.028 341 E CA 0.339 56.720 56.400 -0.032 0.000 0.864 341 E CB -0.128 29.563 29.700 -0.015 0.000 0.813 341 E HN 0.545 nan 8.360 nan 0.000 0.514 342 L N -0.731 120.458 121.223 -0.058 0.000 2.592 342 L HA 0.172 4.517 4.340 0.010 0.000 0.227 342 L C 1.274 178.127 176.870 -0.028 0.000 1.127 342 L CA 0.302 55.121 54.840 -0.035 0.000 0.884 342 L CB 0.320 42.363 42.059 -0.027 0.000 1.065 342 L HN 0.271 nan 8.230 nan 0.000 0.457 343 G N 0.464 109.240 108.800 -0.040 0.000 2.157 343 G HA2 -0.234 3.732 3.960 0.010 0.000 0.248 343 G HA3 -0.234 3.732 3.960 0.010 0.000 0.248 343 G C 0.247 175.215 174.900 0.113 0.000 0.979 343 G CA -0.402 44.749 45.100 0.086 0.000 0.650 343 G HN 0.148 nan 8.290 nan 0.000 0.529 344 I N 1.258 121.764 120.570 -0.107 0.000 2.322 344 I HA 0.449 4.625 4.170 0.010 0.000 0.292 344 I C -0.059 175.844 176.117 -0.357 0.000 1.060 344 I CA -0.680 60.587 61.300 -0.054 0.000 1.309 344 I CB -0.482 37.513 38.000 -0.010 0.000 1.415 344 I HN 0.073 nan 8.210 nan 0.000 0.492 345 Y N 7.115 127.406 120.300 -0.016 0.000 2.462 345 Y HA 0.444 5.000 4.550 0.009 0.000 0.346 345 Y C -2.107 173.626 175.900 -0.278 0.000 0.976 345 Y CA -2.646 55.375 58.100 -0.131 0.000 1.044 345 Y CB 1.865 40.222 38.460 -0.173 0.000 1.230 345 Y HN 0.406 nan 8.280 nan 0.000 0.455 346 P HA 0.083 nan 4.420 nan 0.000 0.271 346 P C -0.278 177.077 177.300 0.092 0.000 1.216 346 P CA -0.134 62.987 63.100 0.035 0.000 0.776 346 P CB 1.121 32.928 31.700 0.178 0.000 0.881 347 A N 3.738 126.607 122.820 0.082 0.000 2.305 347 A HA 0.138 4.463 4.320 0.010 0.000 0.236 347 A C 0.686 178.285 177.584 0.025 0.000 1.392 347 A CA -0.137 51.874 52.037 -0.042 0.000 1.205 347 A CB -1.311 17.626 19.000 -0.104 0.000 0.881 347 A HN 0.398 nan 8.150 nan 0.000 0.558 348 V N 0.922 120.882 119.914 0.077 0.000 2.740 348 V HA 0.009 4.135 4.120 0.010 0.000 0.303 348 V C 0.555 176.670 176.094 0.035 0.000 1.054 348 V CA -0.266 62.076 62.300 0.071 0.000 1.106 348 V CB 1.084 32.980 31.823 0.121 0.000 0.957 348 V HN 0.550 nan 8.190 nan 0.000 0.486 349 D N 7.037 127.450 120.400 0.021 0.000 2.365 349 D HA 0.189 4.835 4.640 0.010 0.000 0.237 349 D C -1.399 174.906 176.300 0.007 0.000 1.190 349 D CA -1.842 52.162 54.000 0.007 0.000 0.867 349 D CB 1.780 42.576 40.800 -0.007 0.000 1.050 349 D HN 0.303 nan 8.370 nan 0.000 0.491 350 P HA -0.040 nan 4.420 nan 0.000 0.234 350 P C 1.220 178.512 177.300 -0.013 0.000 1.167 350 P CA 0.455 63.554 63.100 -0.000 0.000 0.763 350 P CB 0.558 32.262 31.700 0.007 0.000 0.835 351 L N -1.404 119.810 121.223 -0.015 0.000 2.701 351 L HA 0.228 4.574 4.340 0.010 0.000 0.238 351 L C 1.605 178.451 176.870 -0.040 0.000 1.106 351 L CA 0.433 55.256 54.840 -0.028 0.000 0.898 351 L CB 0.079 42.122 42.059 -0.027 0.000 1.188 351 L HN -0.157 nan 8.230 nan 0.000 0.508 352 D N -1.011 119.367 120.400 -0.037 0.000 2.441 352 D HA 0.066 4.712 4.640 0.010 0.000 0.210 352 D C 0.375 176.654 176.300 -0.036 0.000 1.102 352 D CA 0.237 54.203 54.000 -0.056 0.000 0.840 352 D CB 0.645 41.406 40.800 -0.065 0.000 0.990 352 D HN -0.084 nan 8.370 nan 0.000 0.505 353 S N 0.497 116.194 115.700 -0.004 0.000 2.513 353 S HA 0.442 4.918 4.470 0.010 0.000 0.276 353 S C -0.022 174.598 174.600 0.033 0.000 1.254 353 S CA -0.337 57.881 58.200 0.031 0.000 1.053 353 S CB 1.688 64.917 63.200 0.049 0.000 0.958 353 S HN 0.039 nan 8.310 nan 0.000 0.491 354 K N 1.136 121.573 120.400 0.061 0.000 2.395 354 K HA 0.697 5.023 4.320 0.010 0.000 0.247 354 K C -0.883 175.774 176.600 0.095 0.000 0.973 354 K CA -0.525 55.796 56.287 0.056 0.000 0.828 354 K CB 2.044 34.561 32.500 0.029 0.000 1.272 354 K HN 0.521 nan 8.250 nan 0.000 0.439 355 S N 0.486 116.233 115.700 0.079 0.000 2.546 355 S HA 0.289 4.765 4.470 0.010 0.000 0.272 355 S C 0.084 174.726 174.600 0.070 0.000 1.140 355 S CA -0.693 57.565 58.200 0.097 0.000 0.920 355 S CB 1.490 64.762 63.200 0.120 0.000 1.083 355 S HN 0.713 nan 8.310 nan 0.000 0.476 356 R N 2.512 123.053 120.500 0.069 0.000 2.152 356 R HA 0.092 4.438 4.340 0.010 0.000 0.232 356 R C 1.291 177.618 176.300 0.046 0.000 1.117 356 R CA 1.420 57.551 56.100 0.052 0.000 0.981 356 R CB -0.266 30.063 30.300 0.048 0.000 0.870 356 R HN 0.721 nan 8.270 nan 0.000 0.451 357 L N 0.509 121.765 121.223 0.054 0.000 2.599 357 L HA 0.010 4.356 4.340 0.010 0.000 0.230 357 L C 0.552 177.437 176.870 0.025 0.000 1.141 357 L CA -0.231 54.634 54.840 0.041 0.000 0.877 357 L CB 0.012 42.105 42.059 0.057 0.000 1.009 357 L HN 0.126 nan 8.230 nan 0.000 0.447 358 L N 1.534 122.778 121.223 0.035 0.000 2.388 358 L HA 0.151 4.497 4.340 0.010 0.000 0.252 358 L C -0.461 176.497 176.870 0.146 0.000 1.357 358 L CA 0.530 55.395 54.840 0.041 0.000 1.214 358 L CB -0.754 41.319 42.059 0.023 0.000 1.392 358 L HN -0.002 nan 8.230 nan 0.000 0.432 359 D N 1.095 121.527 120.400 0.053 0.000 2.787 359 D HA 0.426 5.071 4.640 0.010 0.000 0.246 359 D C 0.873 177.081 176.300 -0.153 0.000 1.150 359 D CA 0.102 54.061 54.000 -0.069 0.000 0.864 359 D CB 2.166 42.932 40.800 -0.057 0.000 1.481 359 D HN 0.230 nan 8.370 nan 0.000 0.509 360 A N 3.377 125.947 122.820 -0.415 0.000 1.948 360 A HA -0.079 4.247 4.320 0.010 0.000 0.220 360 A C 2.012 179.520 177.584 -0.126 0.000 1.177 360 A CA 2.203 54.073 52.037 -0.277 0.000 0.636 360 A CB -0.732 18.028 19.000 -0.400 0.000 0.815 360 A HN 0.676 nan 8.150 nan 0.000 0.449 361 A N -1.083 121.663 122.820 -0.124 0.000 2.070 361 A HA 0.116 4.442 4.320 0.010 0.000 0.220 361 A C 2.026 179.590 177.584 -0.032 0.000 1.159 361 A CA 1.797 53.794 52.037 -0.066 0.000 0.656 361 A CB -0.388 18.575 19.000 -0.062 0.000 0.800 361 A HN 0.425 nan 8.150 nan 0.000 0.453 362 V N -0.996 118.900 119.914 -0.029 0.000 2.788 362 V HA -0.050 4.076 4.120 0.010 0.000 0.241 362 V C 2.200 178.311 176.094 0.028 0.000 1.083 362 V CA 1.420 63.721 62.300 0.001 0.000 1.103 362 V CB 0.493 32.319 31.823 0.005 0.000 0.800 362 V HN 0.525 nan 8.190 nan 0.000 0.476 363 V N -1.879 118.049 119.914 0.023 0.000 3.643 363 V HA 0.737 4.863 4.120 0.010 0.000 0.280 363 V C 0.816 176.989 176.094 0.132 0.000 1.351 363 V CA 0.302 62.658 62.300 0.093 0.000 1.073 363 V CB -0.428 31.363 31.823 -0.055 0.000 0.863 363 V HN 0.814 nan 8.190 nan 0.000 0.436 364 G N 0.652 109.494 108.800 0.070 0.000 2.705 364 G HA2 -0.203 3.763 3.960 0.010 0.000 0.686 364 G HA3 -0.203 3.763 3.960 0.010 0.000 0.686 364 G C -0.143 174.817 174.900 0.099 0.000 1.285 364 G CA 0.273 45.419 45.100 0.077 0.000 0.800 364 G HN 0.465 nan 8.290 nan 0.000 0.611 365 Q N -0.001 119.844 119.800 0.075 0.000 2.096 365 Q HA -0.087 4.259 4.340 0.010 0.000 0.204 365 Q C 2.431 178.530 176.000 0.163 0.000 0.982 365 Q CA 2.765 58.627 55.803 0.099 0.000 0.850 365 Q CB -0.225 28.549 28.738 0.060 0.000 0.901 365 Q HN 0.809 nan 8.270 nan 0.000 0.422 366 E N -1.177 119.108 120.200 0.142 0.000 2.058 366 E HA -0.279 4.077 4.350 0.010 0.000 0.194 366 E C 1.938 178.658 176.600 0.201 0.000 0.997 366 E CA 1.314 57.802 56.400 0.146 0.000 0.801 366 E CB -0.251 29.518 29.700 0.116 0.000 0.746 366 E HN 0.687 nan 8.360 nan 0.000 0.450 367 H N -1.441 117.686 119.070 0.096 0.000 2.326 367 H HA -0.193 4.368 4.556 0.009 0.000 0.301 367 H C 2.171 177.553 175.328 0.090 0.000 1.081 367 H CA 1.454 57.550 56.048 0.080 0.000 1.334 367 H CB -0.110 29.694 29.762 0.070 0.000 1.385 367 H HN 0.250 nan 8.280 nan 0.000 0.504 368 Y N 1.796 122.102 120.300 0.009 0.000 2.128 368 Y HA -0.259 4.297 4.550 0.011 0.000 0.284 368 Y C 2.105 178.010 175.900 0.009 0.000 1.154 368 Y CA 2.098 60.159 58.100 -0.064 0.000 1.149 368 Y CB -0.426 37.998 38.460 -0.059 0.000 0.976 368 Y HN 0.308 nan 8.280 nan 0.000 0.505 369 D N -0.678 119.812 120.400 0.151 0.000 2.123 369 D HA -0.184 4.462 4.640 0.010 0.000 0.196 369 D C 2.394 178.703 176.300 0.014 0.000 0.992 369 D CA 1.620 55.663 54.000 0.071 0.000 0.833 369 D CB -0.435 40.438 40.800 0.123 0.000 0.954 369 D HN 0.302 nan 8.370 nan 0.000 0.455 370 V N 1.082 121.036 119.914 0.066 0.000 2.307 370 V HA -0.224 3.902 4.120 0.010 0.000 0.245 370 V C 2.469 178.575 176.094 0.019 0.000 1.045 370 V CA 1.752 64.098 62.300 0.077 0.000 1.024 370 V CB -0.775 31.128 31.823 0.132 0.000 0.651 370 V HN 0.190 nan 8.190 nan 0.000 0.449 371 A N -0.372 122.439 122.820 -0.016 0.000 1.865 371 A HA -0.250 4.075 4.320 0.010 0.000 0.217 371 A C 2.493 179.980 177.584 -0.162 0.000 1.191 371 A CA 2.433 54.410 52.037 -0.100 0.000 0.623 371 A CB -0.941 17.974 19.000 -0.142 0.000 0.826 371 A HN 0.496 nan 8.150 nan 0.000 0.444 372 S N -0.313 115.224 115.700 -0.271 0.000 2.368 372 S HA -0.235 4.240 4.470 0.010 0.000 0.226 372 S C 1.991 176.529 174.600 -0.104 0.000 1.044 372 S CA 1.987 60.044 58.200 -0.239 0.000 1.062 372 S CB -0.319 62.703 63.200 -0.296 0.000 0.931 372 S HN 0.626 nan 8.310 nan 0.000 0.440 373 K N 0.333 120.700 120.400 -0.055 0.000 2.211 373 K HA 0.012 4.338 4.320 0.010 0.000 0.203 373 K C 1.999 178.609 176.600 0.016 0.000 1.050 373 K CA 0.726 57.010 56.287 -0.005 0.000 0.945 373 K CB -0.205 32.310 32.500 0.025 0.000 0.732 373 K HN 0.155 nan 8.250 nan 0.000 0.451 374 V N 1.510 121.433 119.914 0.016 0.000 2.295 374 V HA -0.277 3.849 4.120 0.010 0.000 0.246 374 V C 2.176 178.278 176.094 0.013 0.000 1.049 374 V CA 1.706 64.029 62.300 0.039 0.000 1.024 374 V CB -0.379 31.451 31.823 0.011 0.000 0.648 374 V HN 0.358 nan 8.190 nan 0.000 0.447 375 Q N -0.483 119.302 119.800 -0.026 0.000 2.084 375 Q HA -0.254 4.092 4.340 0.010 0.000 0.202 375 Q C 2.301 178.296 176.000 -0.009 0.000 0.978 375 Q CA 1.918 57.705 55.803 -0.027 0.000 0.844 375 Q CB -0.184 28.518 28.738 -0.059 0.000 0.898 375 Q HN 0.690 nan 8.270 nan 0.000 0.426 376 E N -0.285 119.909 120.200 -0.011 0.000 2.058 376 E HA -0.188 4.168 4.350 0.010 0.000 0.194 376 E C 2.069 178.682 176.600 0.022 0.000 0.997 376 E CA 1.654 58.055 56.400 0.002 0.000 0.801 376 E CB -0.037 29.664 29.700 0.001 0.000 0.746 376 E HN 0.305 nan 8.360 nan 0.000 0.450 377 T N 1.545 116.117 114.554 0.030 0.000 2.652 377 T HA -0.153 4.203 4.350 0.010 0.000 0.267 377 T C 1.961 176.704 174.700 0.072 0.000 1.039 377 T CA 0.990 63.115 62.100 0.042 0.000 1.153 377 T CB -0.263 68.628 68.868 0.038 0.000 0.863 377 T HN 0.090 nan 8.240 nan 0.000 0.428 378 L N 0.784 122.053 121.223 0.076 0.000 2.083 378 L HA -0.140 4.206 4.340 0.010 0.000 0.209 378 L C 2.860 179.791 176.870 0.102 0.000 1.083 378 L CA 1.186 56.096 54.840 0.116 0.000 0.752 378 L CB -0.514 41.596 42.059 0.086 0.000 0.899 378 L HN 0.238 nan 8.230 nan 0.000 0.433 379 Q N 0.009 119.839 119.800 0.051 0.000 2.079 379 Q HA -0.148 4.198 4.340 0.010 0.000 0.200 379 Q C 2.052 178.073 176.000 0.035 0.000 0.974 379 Q CA 2.281 58.098 55.803 0.023 0.000 0.840 379 Q CB -0.369 28.371 28.738 0.003 0.000 0.898 379 Q HN 0.364 nan 8.270 nan 0.000 0.430 380 T N 0.064 114.652 114.554 0.056 0.000 2.684 380 T HA -0.186 4.170 4.350 0.010 0.000 0.267 380 T C 1.281 176.049 174.700 0.114 0.000 1.036 380 T CA 1.475 63.614 62.100 0.065 0.000 1.148 380 T CB -0.701 68.203 68.868 0.059 0.000 0.863 380 T HN 0.386 nan 8.240 nan 0.000 0.436 381 Y N 2.195 122.490 120.300 -0.008 0.000 2.151 381 Y HA -0.142 4.419 4.550 0.019 0.000 0.284 381 Y C 2.407 178.301 175.900 -0.010 0.000 1.166 381 Y CA 1.263 59.358 58.100 -0.009 0.000 1.163 381 Y CB -0.379 38.076 38.460 -0.008 0.000 0.974 381 Y HN 0.085 nan 8.280 nan 0.000 0.511 382 K N -0.796 119.551 120.400 -0.089 0.000 2.025 382 K HA -0.131 4.195 4.320 0.010 0.000 0.207 382 K C 2.258 178.779 176.600 -0.131 0.000 1.049 382 K CA 1.470 57.647 56.287 -0.183 0.000 0.933 382 K CB -0.293 32.148 32.500 -0.098 0.000 0.714 382 K HN 0.196 nan 8.250 nan 0.000 0.438 383 S N 0.858 116.521 115.700 -0.062 0.000 2.465 383 S HA -0.068 4.407 4.470 0.010 0.000 0.241 383 S C 1.405 175.981 174.600 -0.040 0.000 1.000 383 S CA 0.859 59.033 58.200 -0.042 0.000 0.964 383 S CB -0.054 63.136 63.200 -0.017 0.000 0.763 383 S HN 0.276 nan 8.310 nan 0.000 0.512 384 L N 0.511 121.707 121.223 -0.046 0.000 2.693 384 L HA 0.151 4.497 4.340 0.010 0.000 0.235 384 L C 2.001 178.833 176.870 -0.063 0.000 1.127 384 L CA -0.118 54.708 54.840 -0.024 0.000 0.914 384 L CB -0.112 41.972 42.059 0.041 0.000 1.193 384 L HN 0.059 nan 8.230 nan 0.000 0.502 385 Q N 0.812 120.526 119.800 -0.144 0.000 2.082 385 Q HA -0.262 4.084 4.340 0.010 0.000 0.211 385 Q C 1.500 177.453 176.000 -0.079 0.000 1.002 385 Q CA 2.026 57.732 55.803 -0.161 0.000 0.868 385 Q CB -0.359 28.267 28.738 -0.186 0.000 0.931 385 Q HN 0.484 nan 8.270 nan 0.000 0.414 386 D N 0.047 120.411 120.400 -0.060 0.000 2.092 386 D HA -0.118 4.528 4.640 0.010 0.000 0.193 386 D C 2.186 178.473 176.300 -0.022 0.000 0.994 386 D CA 0.944 54.922 54.000 -0.038 0.000 0.828 386 D CB -0.431 40.349 40.800 -0.032 0.000 0.963 386 D HN 0.269 nan 8.370 nan 0.000 0.450 387 I N 1.028 121.589 120.570 -0.016 0.000 2.151 387 I HA -0.257 3.918 4.170 0.010 0.000 0.243 387 I C 2.263 178.382 176.117 0.004 0.000 1.080 387 I CA 0.643 61.941 61.300 -0.003 0.000 1.339 387 I CB -0.224 37.778 38.000 0.002 0.000 1.039 387 I HN -0.004 nan 8.210 nan 0.000 0.409 388 I N 1.211 121.786 120.570 0.009 0.000 2.127 388 I HA -0.285 3.891 4.170 0.010 0.000 0.241 388 I C 2.899 179.025 176.117 0.014 0.000 1.075 388 I CA 1.894 63.209 61.300 0.026 0.000 1.334 388 I CB -1.794 36.239 38.000 0.055 0.000 1.040 388 I HN 0.203 nan 8.210 nan 0.000 0.405 389 A N 1.099 123.918 122.820 -0.002 0.000 1.908 389 A HA -0.167 4.159 4.320 0.010 0.000 0.218 389 A C 2.255 179.838 177.584 -0.001 0.000 1.181 389 A CA 1.472 53.507 52.037 -0.004 0.000 0.627 389 A CB -0.507 18.483 19.000 -0.017 0.000 0.818 389 A HN 0.306 nan 8.150 nan 0.000 0.445 390 I N -0.757 119.811 120.570 -0.003 0.000 2.206 390 I HA -0.095 4.080 4.170 0.010 0.000 0.239 390 I C 2.352 178.471 176.117 0.002 0.000 1.078 390 I CA 1.249 62.548 61.300 -0.001 0.000 1.367 390 I CB -1.380 36.618 38.000 -0.004 0.000 1.078 390 I HN 0.253 nan 8.210 nan 0.000 0.413 391 L N -0.338 120.888 121.223 0.004 0.000 2.354 391 L HA 0.309 4.655 4.340 0.010 0.000 0.212 391 L C 1.135 178.012 176.870 0.010 0.000 1.091 391 L CA 0.451 55.295 54.840 0.006 0.000 0.828 391 L CB -0.350 41.713 42.059 0.006 0.000 0.973 391 L HN 0.473 nan 8.230 nan 0.000 0.461 392 G N -0.489 108.320 108.800 0.015 0.000 2.796 392 G HA2 -0.257 3.709 3.960 0.010 0.000 0.571 392 G HA3 -0.257 3.709 3.960 0.010 0.000 0.571 392 G C 0.338 175.252 174.900 0.024 0.000 1.370 392 G CA -0.199 44.914 45.100 0.021 0.000 0.856 392 G HN -0.122 nan 8.290 nan 0.000 0.538 393 M N 0.046 119.661 119.600 0.025 0.000 2.202 393 M HA -0.054 4.432 4.480 0.010 0.000 0.262 393 M C 1.976 178.286 176.300 0.016 0.000 1.063 393 M CA 2.131 57.446 55.300 0.024 0.000 1.097 393 M CB -1.189 31.422 32.600 0.018 0.000 1.382 393 M HN 0.622 nan 8.290 nan 0.000 0.413 394 D N 0.456 120.864 120.400 0.012 0.000 2.221 394 D HA -0.142 4.504 4.640 0.010 0.000 0.204 394 D C 1.627 177.932 176.300 0.008 0.000 0.982 394 D CA 0.974 54.979 54.000 0.008 0.000 0.857 394 D CB -0.056 40.748 40.800 0.007 0.000 0.934 394 D HN 0.341 nan 8.370 nan 0.000 0.475 395 E N 0.009 120.216 120.200 0.010 0.000 2.489 395 E HA 0.106 4.461 4.350 0.010 0.000 0.193 395 E C 0.813 177.420 176.600 0.011 0.000 1.057 395 E CA -0.138 56.267 56.400 0.009 0.000 0.866 395 E CB 0.270 29.975 29.700 0.009 0.000 0.916 395 E HN 0.355 nan 8.360 nan 0.000 0.500 396 L N 1.398 122.630 121.223 0.014 0.000 2.464 396 L HA 0.064 4.410 4.340 0.010 0.000 0.264 396 L C 1.234 178.110 176.870 0.011 0.000 1.199 396 L CA -0.316 54.534 54.840 0.016 0.000 0.818 396 L CB 0.462 42.534 42.059 0.021 0.000 1.102 396 L HN -0.023 nan 8.230 nan 0.000 0.473 397 S N 0.497 116.203 115.700 0.011 0.000 2.626 397 S HA 0.099 4.575 4.470 0.010 0.000 0.257 397 S C 0.825 175.428 174.600 0.006 0.000 1.288 397 S CA -0.540 57.664 58.200 0.007 0.000 0.980 397 S CB 0.904 64.109 63.200 0.007 0.000 0.975 397 S HN 0.606 nan 8.310 nan 0.000 0.577 398 E N 0.572 120.774 120.200 0.004 0.000 2.076 398 E HA -0.095 4.261 4.350 0.010 0.000 0.190 398 E C 2.276 178.877 176.600 0.001 0.000 0.979 398 E CA 1.107 57.508 56.400 0.001 0.000 0.807 398 E CB -0.573 29.127 29.700 0.000 0.000 0.761 398 E HN 0.721 nan 8.360 nan 0.000 0.454 399 Q N 0.747 120.549 119.800 0.003 0.000 2.045 399 Q HA -0.187 4.159 4.340 0.010 0.000 0.206 399 Q C 1.843 177.846 176.000 0.004 0.000 0.991 399 Q CA 1.526 57.331 55.803 0.003 0.000 0.851 399 Q CB -0.115 28.627 28.738 0.006 0.000 0.911 399 Q HN 0.226 nan 8.270 nan 0.000 0.418 400 D N 0.465 120.870 120.400 0.009 0.000 2.123 400 D HA -0.148 4.498 4.640 0.010 0.000 0.196 400 D C 1.690 177.996 176.300 0.010 0.000 0.992 400 D CA 1.104 55.114 54.000 0.017 0.000 0.833 400 D CB -0.116 40.698 40.800 0.024 0.000 0.954 400 D HN 0.152 nan 8.370 nan 0.000 0.455 401 K N 0.036 120.438 120.400 0.003 0.000 2.097 401 K HA -0.133 4.193 4.320 0.010 0.000 0.206 401 K C 2.124 178.711 176.600 -0.023 0.000 1.049 401 K CA 0.470 56.754 56.287 -0.006 0.000 0.933 401 K CB -0.113 32.385 32.500 -0.004 0.000 0.717 401 K HN -0.022 nan 8.250 nan 0.000 0.442 402 L N 0.792 122.004 121.223 -0.019 0.000 2.005 402 L HA -0.154 4.191 4.340 0.010 0.000 0.207 402 L C 2.068 178.914 176.870 -0.040 0.000 1.072 402 L CA 1.931 56.754 54.840 -0.027 0.000 0.744 402 L CB -0.782 41.267 42.059 -0.016 0.000 0.895 402 L HN 0.139 nan 8.230 nan 0.000 0.433 403 T N -1.190 113.349 114.554 -0.026 0.000 2.720 403 T HA -0.189 4.167 4.350 0.010 0.000 0.268 403 T C 1.942 176.602 174.700 -0.066 0.000 1.037 403 T CA 1.713 63.797 62.100 -0.027 0.000 1.144 403 T CB -0.391 68.478 68.868 0.003 0.000 0.864 403 T HN 0.184 nan 8.240 nan 0.000 0.444 404 V N 1.225 121.094 119.914 -0.076 0.000 2.307 404 V HA -0.159 3.967 4.120 0.010 0.000 0.245 404 V C 2.480 178.398 176.094 -0.293 0.000 1.045 404 V CA 1.685 63.865 62.300 -0.199 0.000 1.024 404 V CB -0.590 31.180 31.823 -0.087 0.000 0.651 404 V HN 0.518 nan 8.190 nan 0.000 0.449 405 E N -0.319 119.776 120.200 -0.174 0.000 2.130 405 E HA -0.279 4.076 4.350 0.010 0.000 0.196 405 E C 2.446 178.934 176.600 -0.186 0.000 0.998 405 E CA 1.480 57.784 56.400 -0.161 0.000 0.806 405 E CB -0.171 29.474 29.700 -0.092 0.000 0.738 405 E HN 0.409 nan 8.360 nan 0.000 0.459 406 R N 0.012 120.417 120.500 -0.160 0.000 2.090 406 R HA -0.057 4.289 4.340 0.010 0.000 0.228 406 R C 2.210 178.395 176.300 -0.191 0.000 1.110 406 R CA 1.066 57.067 56.100 -0.164 0.000 0.973 406 R CB -0.097 30.147 30.300 -0.094 0.000 0.869 406 R HN 0.130 nan 8.270 nan 0.000 0.440 407 A N 0.696 123.397 122.820 -0.198 0.000 1.972 407 A HA -0.140 4.186 4.320 0.010 0.000 0.219 407 A C 2.036 179.471 177.584 -0.248 0.000 1.169 407 A CA 1.153 53.081 52.037 -0.182 0.000 0.635 407 A CB -0.328 18.562 19.000 -0.183 0.000 0.810 407 A HN 0.280 nan 8.150 nan 0.000 0.446 408 R N -0.365 119.906 120.500 -0.382 0.000 2.148 408 R HA -0.078 4.268 4.340 0.010 0.000 0.227 408 R C 2.048 178.233 176.300 -0.191 0.000 1.103 408 R CA 1.552 57.476 56.100 -0.293 0.000 0.983 408 R CB -0.153 29.970 30.300 -0.295 0.000 0.874 408 R HN 0.527 nan 8.270 nan 0.000 0.451 409 K N 0.364 120.583 120.400 -0.301 0.000 2.021 409 K HA -0.012 4.313 4.320 0.010 0.000 0.205 409 K C 2.013 178.393 176.600 -0.368 0.000 1.047 409 K CA 1.039 57.001 56.287 -0.542 0.000 0.943 409 K CB -0.090 31.768 32.500 -1.071 0.000 0.725 409 K HN 0.039 nan 8.250 nan 0.000 0.439 410 I N 1.699 122.148 120.570 -0.202 0.000 2.194 410 I HA -0.379 3.797 4.170 0.010 0.000 0.246 410 I C 2.832 179.092 176.117 0.238 0.000 1.093 410 I CA 1.460 62.831 61.300 0.118 0.000 1.355 410 I CB -0.236 37.869 38.000 0.175 0.000 1.046 410 I HN 0.303 nan 8.210 nan 0.000 0.413 411 Q N 0.816 120.689 119.800 0.121 0.000 2.084 411 Q HA -0.237 4.109 4.340 0.010 0.000 0.202 411 Q C 2.355 178.462 176.000 0.178 0.000 0.978 411 Q CA 1.637 57.526 55.803 0.142 0.000 0.844 411 Q CB 0.035 28.843 28.738 0.115 0.000 0.898 411 Q HN 0.396 nan 8.270 nan 0.000 0.426 412 R N -0.853 119.749 120.500 0.170 0.000 2.115 412 R HA -0.071 4.275 4.340 0.010 0.000 0.226 412 R C 1.968 178.481 176.300 0.355 0.000 1.100 412 R CA 0.940 57.203 56.100 0.271 0.000 0.980 412 R CB -0.160 30.299 30.300 0.265 0.000 0.875 412 R HN 0.241 nan 8.270 nan 0.000 0.445 413 F N 0.911 120.943 119.950 0.137 0.000 2.451 413 F HA -0.011 4.527 4.527 0.019 0.000 0.299 413 F C 1.359 177.329 175.800 0.283 0.000 1.101 413 F CA 0.950 59.042 58.000 0.154 0.000 1.436 413 F CB 0.025 38.977 39.000 -0.080 0.000 1.074 413 F HN -0.045 nan 8.300 nan 0.000 0.553 414 L N -0.508 120.923 121.223 0.348 0.000 2.558 414 L HA 0.038 4.384 4.340 0.010 0.000 0.225 414 L C 1.256 178.186 176.870 0.100 0.000 1.128 414 L CA 0.163 55.127 54.840 0.206 0.000 0.868 414 L CB -0.629 41.524 42.059 0.157 0.000 1.006 414 L HN 0.042 nan 8.230 nan 0.000 0.454 415 S N -0.401 115.359 115.700 0.100 0.000 2.592 415 S HA 0.358 4.834 4.470 0.010 0.000 0.271 415 S C -0.344 174.224 174.600 -0.055 0.000 1.326 415 S CA -0.490 57.709 58.200 -0.001 0.000 1.024 415 S CB 1.962 65.137 63.200 -0.041 0.000 0.921 415 S HN 0.251 nan 8.310 nan 0.000 0.527 416 Q N 0.705 120.431 119.800 -0.124 0.000 2.295 416 Q HA 0.404 4.749 4.340 0.010 0.000 0.268 416 Q C -3.072 172.854 176.000 -0.124 0.000 1.010 416 Q CA -2.219 53.536 55.803 -0.081 0.000 0.856 416 Q CB 2.330 31.093 28.738 0.041 0.000 1.349 416 Q HN 0.474 nan 8.270 nan 0.000 0.412 417 P HA 0.164 nan 4.420 nan 0.000 0.276 417 P C -1.095 176.340 177.300 0.224 0.000 1.243 417 P CA 0.074 63.182 63.100 0.015 0.000 0.768 417 P CB 0.176 31.877 31.700 0.002 0.000 0.856 418 F N 1.629 121.555 119.950 -0.041 0.000 2.397 418 F HA 0.432 4.966 4.527 0.011 0.000 0.331 418 F C 1.651 177.428 175.800 -0.038 0.000 1.090 418 F CA -1.507 56.461 58.000 -0.054 0.000 1.065 418 F CB 0.793 39.757 39.000 -0.061 0.000 1.184 418 F HN 0.350 nan 8.300 nan 0.000 0.499 419 A N 2.561 125.430 122.820 0.081 0.000 1.898 419 A HA -0.060 4.266 4.320 0.010 0.000 0.216 419 A C 1.975 179.578 177.584 0.033 0.000 1.181 419 A CA 1.721 53.770 52.037 0.021 0.000 0.620 419 A CB -0.820 18.157 19.000 -0.038 0.000 0.819 419 A HN 0.529 nan 8.150 nan 0.000 0.442 420 V N -0.694 119.245 119.914 0.043 0.000 2.809 420 V HA -0.062 4.064 4.120 0.010 0.000 0.256 420 V C 2.366 178.539 176.094 0.133 0.000 1.080 420 V CA 1.508 63.845 62.300 0.062 0.000 1.102 420 V CB -0.738 31.113 31.823 0.047 0.000 0.705 420 V HN 0.574 nan 8.190 nan 0.000 0.475 421 A N -0.800 122.133 122.820 0.188 0.000 2.423 421 A HA 0.153 4.479 4.320 0.010 0.000 0.246 421 A C 1.886 179.560 177.584 0.151 0.000 1.278 421 A CA 0.232 52.423 52.037 0.256 0.000 0.903 421 A CB -0.302 18.817 19.000 0.199 0.000 0.997 421 A HN 0.506 nan 8.150 nan 0.000 0.510 422 E N -0.057 120.176 120.200 0.056 0.000 2.130 422 E HA -0.195 4.161 4.350 0.010 0.000 0.196 422 E C 1.553 178.109 176.600 -0.073 0.000 0.998 422 E CA 1.828 58.226 56.400 -0.002 0.000 0.806 422 E CB -0.113 29.576 29.700 -0.019 0.000 0.738 422 E HN 0.429 nan 8.360 nan 0.000 0.459 423 V N 0.037 119.828 119.914 -0.205 0.000 2.515 423 V HA -0.208 3.917 4.120 0.010 0.000 0.250 423 V C 1.706 177.542 176.094 -0.430 0.000 1.058 423 V CA 1.528 63.589 62.300 -0.397 0.000 1.064 423 V CB -0.553 30.883 31.823 -0.646 0.000 0.675 423 V HN 0.253 nan 8.190 nan 0.000 0.461 424 F N 0.986 120.914 119.950 -0.037 0.000 2.446 424 F HA -0.002 4.530 4.527 0.008 0.000 0.292 424 F C 2.636 178.415 175.800 -0.035 0.000 1.096 424 F CA 1.252 59.222 58.000 -0.050 0.000 1.438 424 F CB -1.034 37.898 39.000 -0.112 0.000 1.107 424 F HN 0.237 nan 8.300 nan 0.000 0.546 425 T N -3.582 111.044 114.554 0.120 0.000 3.035 425 T HA 0.331 4.687 4.350 0.010 0.000 0.259 425 T C 2.023 176.759 174.700 0.059 0.000 1.078 425 T CA 0.799 62.946 62.100 0.079 0.000 1.132 425 T CB -0.207 68.682 68.868 0.035 0.000 0.900 425 T HN 0.419 nan 8.240 nan 0.000 0.480 426 G N 1.615 110.430 108.800 0.026 0.000 2.179 426 G HA2 -0.201 3.765 3.960 0.010 0.000 0.260 426 G HA3 -0.201 3.765 3.960 0.010 0.000 0.260 426 G C 0.015 174.922 174.900 0.011 0.000 0.977 426 G CA 0.289 45.396 45.100 0.013 0.000 0.641 426 G HN 0.727 nan 8.290 nan 0.000 0.533 427 I N 0.752 121.330 120.570 0.013 0.000 2.530 427 I HA 0.452 4.628 4.170 0.010 0.000 0.297 427 I C -2.223 173.898 176.117 0.006 0.000 1.011 427 I CA -2.847 58.458 61.300 0.009 0.000 1.107 427 I CB 1.935 39.939 38.000 0.007 0.000 1.285 427 I HN -0.223 nan 8.210 nan 0.000 0.436 428 P HA 0.011 nan 4.420 nan 0.000 0.264 428 P C 0.106 177.414 177.300 0.014 0.000 1.179 428 P CA 0.028 63.130 63.100 0.003 0.000 0.763 428 P CB 0.362 32.062 31.700 -0.001 0.000 0.806 429 G N 2.667 111.479 108.800 0.021 0.000 2.503 429 G HA2 0.333 4.299 3.960 0.010 0.000 0.257 429 G HA3 0.333 4.299 3.960 0.010 0.000 0.257 429 G C -0.593 174.322 174.900 0.026 0.000 1.214 429 G CA -0.421 44.704 45.100 0.043 0.000 0.839 429 G HN 0.290 nan 8.290 nan 0.000 0.559 430 K N 0.870 121.296 120.400 0.043 0.000 2.378 430 K HA 0.387 4.712 4.320 0.010 0.000 0.252 430 K C -1.265 175.343 176.600 0.013 0.000 0.931 430 K CA -0.710 55.589 56.287 0.021 0.000 0.794 430 K CB 2.882 35.395 32.500 0.021 0.000 1.181 430 K HN 0.380 nan 8.250 nan 0.000 0.425 431 L N 2.844 124.059 121.223 -0.013 0.000 2.305 431 L HA 0.411 4.757 4.340 0.010 0.000 0.284 431 L C -1.088 175.770 176.870 -0.021 0.000 1.013 431 L CA -0.839 53.981 54.840 -0.032 0.000 0.819 431 L CB 1.406 43.435 42.059 -0.050 0.000 1.227 431 L HN 0.256 nan 8.230 nan 0.000 0.417 432 V N 4.980 124.881 119.914 -0.021 0.000 2.547 432 V HA 0.516 4.642 4.120 0.010 0.000 0.299 432 V C 0.163 176.242 176.094 -0.026 0.000 1.040 432 V CA -0.774 61.514 62.300 -0.019 0.000 0.913 432 V CB 1.758 33.567 31.823 -0.023 0.000 0.992 432 V HN 0.733 nan 8.190 nan 0.000 0.449 433 R N 1.865 122.353 120.500 -0.020 0.000 2.459 433 R HA 0.343 4.689 4.340 0.010 0.000 0.281 433 R C 1.223 177.502 176.300 -0.035 0.000 1.050 433 R CA -0.564 55.522 56.100 -0.023 0.000 1.055 433 R CB 1.014 31.306 30.300 -0.014 0.000 1.045 433 R HN 0.718 nan 8.270 nan 0.000 0.495 434 L N 3.100 124.295 121.223 -0.046 0.000 2.021 434 L HA -0.310 4.035 4.340 0.010 0.000 0.215 434 L C 1.875 178.685 176.870 -0.100 0.000 1.074 434 L CA 1.977 56.769 54.840 -0.082 0.000 0.760 434 L CB -0.098 41.922 42.059 -0.066 0.000 0.889 434 L HN 0.590 nan 8.230 nan 0.000 0.433 435 K N -0.830 119.535 120.400 -0.058 0.000 2.097 435 K HA -0.215 4.111 4.320 0.010 0.000 0.206 435 K C 1.793 178.383 176.600 -0.016 0.000 1.049 435 K CA 1.598 57.860 56.287 -0.042 0.000 0.933 435 K CB -0.239 32.252 32.500 -0.014 0.000 0.717 435 K HN 0.386 nan 8.250 nan 0.000 0.442 436 D N 0.086 120.483 120.400 -0.005 0.000 2.117 436 D HA -0.101 4.545 4.640 0.010 0.000 0.198 436 D C 1.604 177.931 176.300 0.045 0.000 0.982 436 D CA 1.280 55.293 54.000 0.022 0.000 0.828 436 D CB 0.051 40.860 40.800 0.014 0.000 0.967 436 D HN 0.032 nan 8.370 nan 0.000 0.464 437 T N -0.587 113.978 114.554 0.018 0.000 2.746 437 T HA -0.115 4.241 4.350 0.010 0.000 0.267 437 T C 2.081 176.858 174.700 0.128 0.000 1.039 437 T CA 1.054 63.192 62.100 0.064 0.000 1.142 437 T CB -0.329 68.516 68.868 -0.037 0.000 0.866 437 T HN -0.016 nan 8.240 nan 0.000 0.444 438 V N 1.498 121.409 119.914 -0.006 0.000 2.358 438 V HA -0.126 4.000 4.120 0.010 0.000 0.246 438 V C 2.834 178.995 176.094 0.112 0.000 1.047 438 V CA 1.679 63.976 62.300 -0.005 0.000 1.035 438 V CB -1.071 30.672 31.823 -0.133 0.000 0.658 438 V HN 0.529 nan 8.190 nan 0.000 0.452 439 A N -0.764 122.115 122.820 0.100 0.000 1.929 439 A HA -0.131 4.195 4.320 0.010 0.000 0.216 439 A C 2.471 180.153 177.584 0.164 0.000 1.176 439 A CA 1.803 53.911 52.037 0.118 0.000 0.628 439 A CB -0.539 18.513 19.000 0.086 0.000 0.816 439 A HN 0.478 nan 8.150 nan 0.000 0.444 440 S N -0.511 115.302 115.700 0.189 0.000 2.351 440 S HA -0.134 4.341 4.470 0.010 0.000 0.220 440 S C 1.614 176.358 174.600 0.241 0.000 1.035 440 S CA 1.685 60.016 58.200 0.218 0.000 1.031 440 S CB -0.564 62.805 63.200 0.281 0.000 0.928 440 S HN 0.543 nan 8.310 nan 0.000 0.433 441 F N 1.771 121.870 119.950 0.247 0.000 2.171 441 F HA -0.018 4.517 4.527 0.014 0.000 0.300 441 F C 2.309 178.204 175.800 0.159 0.000 1.090 441 F CA 1.078 59.214 58.000 0.227 0.000 1.293 441 F CB -0.307 38.772 39.000 0.132 0.000 1.013 441 F HN 0.107 nan 8.300 nan 0.000 0.486 442 K N 0.453 121.025 120.400 0.287 0.000 2.044 442 K HA -0.220 4.105 4.320 0.010 0.000 0.210 442 K C 2.242 178.947 176.600 0.175 0.000 1.049 442 K CA 1.429 57.834 56.287 0.196 0.000 0.927 442 K CB -0.313 32.279 32.500 0.153 0.000 0.713 442 K HN 0.223 nan 8.250 nan 0.000 0.443 443 A N 0.363 123.300 122.820 0.196 0.000 1.930 443 A HA -0.071 4.255 4.320 0.010 0.000 0.217 443 A C 2.208 179.943 177.584 0.251 0.000 1.175 443 A CA 1.382 53.556 52.037 0.228 0.000 0.627 443 A CB -0.475 18.730 19.000 0.342 0.000 0.815 443 A HN 0.169 nan 8.150 nan 0.000 0.443 444 V N 0.293 120.336 119.914 0.215 0.000 2.295 444 V HA -0.271 3.855 4.120 0.010 0.000 0.246 444 V C 2.526 178.685 176.094 0.108 0.000 1.049 444 V CA 1.942 64.336 62.300 0.156 0.000 1.024 444 V CB -0.830 30.975 31.823 -0.030 0.000 0.648 444 V HN 0.575 nan 8.190 nan 0.000 0.447 445 L N -0.280 121.014 121.223 0.119 0.000 2.187 445 L HA -0.203 4.142 4.340 0.010 0.000 0.213 445 L C 2.216 179.128 176.870 0.070 0.000 1.100 445 L CA 1.482 56.378 54.840 0.093 0.000 0.765 445 L CB -0.501 41.626 42.059 0.113 0.000 0.904 445 L HN 0.414 nan 8.230 nan 0.000 0.437 446 E N -0.136 120.112 120.200 0.079 0.000 2.463 446 E HA 0.037 4.392 4.350 0.010 0.000 0.191 446 E C 1.172 177.788 176.600 0.026 0.000 1.083 446 E CA 0.359 56.789 56.400 0.051 0.000 0.872 446 E CB 0.014 29.746 29.700 0.053 0.000 0.966 446 E HN 0.492 nan 8.360 nan 0.000 0.491 447 G N 2.071 110.891 108.800 0.033 0.000 2.283 447 G HA2 -0.364 3.601 3.960 0.010 0.000 0.280 447 G HA3 -0.364 3.601 3.960 0.010 0.000 0.280 447 G C 0.680 175.560 174.900 -0.032 0.000 1.029 447 G CA 0.676 45.782 45.100 0.010 0.000 0.840 447 G HN 0.293 nan 8.290 nan 0.000 0.505 448 K N -1.277 119.086 120.400 -0.062 0.000 2.444 448 K HA 0.230 4.556 4.320 0.010 0.000 0.193 448 K C 0.437 176.680 176.600 -0.596 0.000 1.024 448 K CA 0.521 56.619 56.287 -0.315 0.000 1.077 448 K CB 0.252 32.512 32.500 -0.400 0.000 0.833 448 K HN 0.578 nan 8.250 nan 0.000 0.517 449 Y N -0.737 119.574 120.300 0.018 0.000 2.742 449 Y HA 0.124 4.675 4.550 0.001 0.000 0.248 449 Y C 0.378 176.323 175.900 0.075 0.000 1.132 449 Y CA -0.660 57.470 58.100 0.051 0.000 1.142 449 Y CB 0.568 39.091 38.460 0.104 0.000 1.222 449 Y HN -0.052 nan 8.280 nan 0.000 0.575 450 D N 0.556 121.015 120.400 0.099 0.000 2.219 450 D HA -0.138 4.508 4.640 0.010 0.000 0.205 450 D C 1.661 177.997 176.300 0.060 0.000 0.970 450 D CA 1.281 55.316 54.000 0.058 0.000 0.851 450 D CB -0.028 40.779 40.800 0.011 0.000 0.943 450 D HN 0.471 nan 8.370 nan 0.000 0.488 451 N N 0.540 119.272 118.700 0.053 0.000 2.467 451 N HA -0.084 4.662 4.740 0.010 0.000 0.184 451 N C 0.585 176.135 175.510 0.068 0.000 1.106 451 N CA 0.070 53.145 53.050 0.041 0.000 0.892 451 N CB 0.022 38.517 38.487 0.012 0.000 0.969 451 N HN 0.198 nan 8.380 nan 0.000 0.454 452 I N 1.939 122.584 120.570 0.125 0.000 2.441 452 I HA 0.192 4.367 4.170 0.010 0.000 0.287 452 I C -2.056 174.167 176.117 0.176 0.000 1.049 452 I CA -2.060 59.316 61.300 0.127 0.000 1.381 452 I CB 1.036 39.100 38.000 0.107 0.000 1.409 452 I HN -0.191 nan 8.210 nan 0.000 0.523 453 P HA 0.051 nan 4.420 nan 0.000 0.268 453 P C 0.266 177.701 177.300 0.225 0.000 1.205 453 P CA -0.116 63.062 63.100 0.129 0.000 0.771 453 P CB 0.531 32.284 31.700 0.088 0.000 0.858 454 E N 0.939 121.263 120.200 0.205 0.000 2.114 454 E HA -0.314 4.042 4.350 0.010 0.000 0.199 454 E C 1.677 178.462 176.600 0.307 0.000 1.008 454 E CA 1.193 57.740 56.400 0.245 0.000 0.810 454 E CB -0.410 29.352 29.700 0.104 0.000 0.739 454 E HN 0.625 nan 8.360 nan 0.000 0.456 455 H N 0.147 119.298 119.070 0.134 0.000 2.456 455 H HA -0.027 4.532 4.556 0.004 0.000 0.296 455 H C 1.915 177.329 175.328 0.143 0.000 1.079 455 H CA 1.207 57.327 56.048 0.120 0.000 1.322 455 H CB 0.178 29.974 29.762 0.057 0.000 1.388 455 H HN 0.180 nan 8.280 nan 0.000 0.538 456 A N -0.042 122.842 122.820 0.107 0.000 2.067 456 A HA -0.107 4.219 4.320 0.010 0.000 0.219 456 A C 1.812 179.252 177.584 -0.241 0.000 1.158 456 A CA 0.740 52.716 52.037 -0.101 0.000 0.661 456 A CB -0.795 18.061 19.000 -0.240 0.000 0.801 456 A HN 0.331 nan 8.150 nan 0.000 0.452 457 F N -2.462 117.452 119.950 -0.060 0.000 2.743 457 F HA 0.163 4.684 4.527 -0.010 0.000 0.297 457 F C 0.773 176.631 175.800 0.097 0.000 1.131 457 F CA -0.067 57.891 58.000 -0.069 0.000 1.426 457 F CB -0.134 38.787 39.000 -0.131 0.000 1.116 457 F HN 0.294 nan 8.300 nan 0.000 0.583 458 Y N 1.218 121.552 120.300 0.057 0.000 2.402 458 Y HA 0.321 4.878 4.550 0.011 0.000 0.333 458 Y C 0.699 176.586 175.900 -0.021 0.000 1.076 458 Y CA -1.532 56.558 58.100 -0.016 0.000 1.299 458 Y CB 0.402 38.735 38.460 -0.211 0.000 1.197 458 Y HN 0.147 nan 8.280 nan 0.000 0.517 459 M N 4.990 124.274 119.600 -0.526 0.000 2.347 459 M HA -0.156 4.330 4.480 0.010 0.000 0.198 459 M C -1.674 174.515 176.300 -0.185 0.000 0.549 459 M CA 1.246 56.237 55.300 -0.514 0.000 0.481 459 M CB -1.496 30.591 32.600 -0.854 0.000 1.393 459 M HN 0.536 nan 8.290 nan 0.000 0.905 460 V N -3.090 116.786 119.914 -0.062 0.000 3.103 460 V HA 1.100 5.226 4.120 0.010 0.000 0.311 460 V C 0.831 176.945 176.094 0.033 0.000 1.322 460 V CA -0.304 61.996 62.300 -0.001 0.000 1.063 460 V CB 1.239 33.071 31.823 0.015 0.000 1.090 460 V HN 0.460 nan 8.190 nan 0.000 0.462 461 G N -0.226 108.597 108.800 0.039 0.000 3.197 461 G HA2 0.551 4.517 3.960 0.010 0.000 0.167 461 G HA3 0.551 4.517 3.960 0.010 0.000 0.167 461 G C 0.510 175.442 174.900 0.054 0.000 1.914 461 G CA 0.058 45.175 45.100 0.029 0.000 0.956 461 G HN 1.442 nan 8.290 nan 0.000 0.480 462 G N -1.227 107.613 108.800 0.066 0.000 2.531 462 G HA2 0.372 4.338 3.960 0.010 0.000 0.281 462 G HA3 0.372 4.338 3.960 0.010 0.000 0.281 462 G C 0.829 175.865 174.900 0.226 0.000 1.382 462 G CA -0.165 45.010 45.100 0.125 0.000 1.045 462 G HN 0.363 nan 8.290 nan 0.000 0.533 463 I N 0.128 120.821 120.570 0.206 0.000 2.423 463 I HA -0.147 4.028 4.170 0.010 0.000 0.254 463 I C 2.611 178.632 176.117 -0.159 0.000 1.151 463 I CA 1.509 62.763 61.300 -0.078 0.000 1.421 463 I CB -0.172 37.717 38.000 -0.186 0.000 1.079 463 I HN 0.612 nan 8.210 nan 0.000 0.431 464 E N -0.008 120.161 120.200 -0.051 0.000 2.051 464 E HA -0.240 4.116 4.350 0.010 0.000 0.192 464 E C 1.760 178.318 176.600 -0.070 0.000 0.991 464 E CA 1.564 57.935 56.400 -0.048 0.000 0.799 464 E CB -0.482 29.210 29.700 -0.013 0.000 0.748 464 E HN 0.524 nan 8.360 nan 0.000 0.449 465 D N 1.015 121.387 120.400 -0.047 0.000 2.133 465 D HA -0.133 4.513 4.640 0.010 0.000 0.195 465 D C 2.176 178.404 176.300 -0.121 0.000 0.997 465 D CA 0.748 54.717 54.000 -0.051 0.000 0.840 465 D CB -0.393 40.402 40.800 -0.008 0.000 0.947 465 D HN -0.016 nan 8.370 nan 0.000 0.452 466 V N 0.591 120.376 119.914 -0.216 0.000 2.231 466 V HA -0.260 3.866 4.120 0.010 0.000 0.248 466 V C 2.667 178.546 176.094 -0.359 0.000 1.054 466 V CA 1.381 63.412 62.300 -0.448 0.000 1.015 466 V CB -0.620 30.676 31.823 -0.879 0.000 0.638 466 V HN 0.079 nan 8.190 nan 0.000 0.444 467 V N 0.232 119.982 119.914 -0.274 0.000 2.332 467 V HA -0.294 3.832 4.120 0.010 0.000 0.248 467 V C 2.671 178.708 176.094 -0.094 0.000 1.055 467 V CA 2.134 64.350 62.300 -0.141 0.000 1.038 467 V CB -1.255 30.534 31.823 -0.057 0.000 0.651 467 V HN 0.583 nan 8.190 nan 0.000 0.450 468 A N -0.433 122.336 122.820 -0.084 0.000 1.902 468 A HA -0.250 4.076 4.320 0.010 0.000 0.217 468 A C 2.359 179.913 177.584 -0.050 0.000 1.181 468 A CA 2.116 54.122 52.037 -0.052 0.000 0.623 468 A CB -0.454 18.523 19.000 -0.039 0.000 0.818 468 A HN 0.520 nan 8.150 nan 0.000 0.443 469 K N -0.430 119.927 120.400 -0.071 0.000 2.097 469 K HA -0.002 4.323 4.320 0.010 0.000 0.205 469 K C 2.103 178.677 176.600 -0.043 0.000 1.050 469 K CA 0.988 57.246 56.287 -0.048 0.000 0.938 469 K CB -0.269 32.197 32.500 -0.056 0.000 0.718 469 K HN 0.373 nan 8.250 nan 0.000 0.442 470 A N 1.274 124.043 122.820 -0.085 0.000 1.933 470 A HA -0.176 4.149 4.320 0.010 0.000 0.218 470 A C 1.778 179.344 177.584 -0.030 0.000 1.175 470 A CA 1.502 53.501 52.037 -0.063 0.000 0.628 470 A CB -0.354 18.588 19.000 -0.096 0.000 0.814 470 A HN 0.416 nan 8.150 nan 0.000 0.444 471 E N -0.358 119.824 120.200 -0.030 0.000 2.047 471 E HA -0.180 4.175 4.350 0.010 0.000 0.191 471 E C 2.064 178.659 176.600 -0.009 0.000 0.987 471 E CA 1.238 57.628 56.400 -0.016 0.000 0.799 471 E CB -0.143 29.547 29.700 -0.016 0.000 0.752 471 E HN 0.571 nan 8.360 nan 0.000 0.449 472 K N 0.645 121.041 120.400 -0.006 0.000 2.063 472 K HA -0.135 4.191 4.320 0.010 0.000 0.208 472 K C 2.134 178.738 176.600 0.006 0.000 1.048 472 K CA 0.996 57.284 56.287 0.002 0.000 0.928 472 K CB -0.065 32.440 32.500 0.008 0.000 0.713 472 K HN 0.071 nan 8.250 nan 0.000 0.442 473 L N -0.061 121.168 121.223 0.010 0.000 2.201 473 L HA -0.097 4.249 4.340 0.010 0.000 0.212 473 L C 2.262 179.134 176.870 0.002 0.000 1.105 473 L CA 0.724 55.571 54.840 0.011 0.000 0.775 473 L CB -0.390 41.684 42.059 0.024 0.000 0.913 473 L HN 0.179 nan 8.230 nan 0.000 0.440 474 A N 0.041 122.861 122.820 -0.000 0.000 2.225 474 A HA 0.177 4.503 4.320 0.010 0.000 0.215 474 A C 1.310 178.892 177.584 -0.003 0.000 1.164 474 A CA 1.165 53.201 52.037 -0.002 0.000 0.710 474 A CB -0.495 18.503 19.000 -0.003 0.000 0.780 474 A HN 0.363 nan 8.150 nan 0.000 0.473 475 A N 0.000 122.819 122.820 -0.002 0.000 2.254 475 A HA 0.000 4.326 4.320 0.010 0.000 0.244 475 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 475 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486