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 2zq0_1_B DATA FIRST_RESID 19 DATA SEQUENCE SHMQQKLTSP DNNLVMTFQV DSKGAPTYEL TYKNKVVIKP STLGLELKKE DATA SEQUENCE XXXXXXXXXX XXXXXTKLDS KTNLYDGFEV KDTQTATFDE TWQPVWGEEK DATA SEQUENCE EIRNHYNELA VTLYQPMNDR SIVIRFRLFN DGLGFRYEFP QQKSLNYFVI DATA SEQUENCE KEEHSQFGMN GDHIAFWIPG DYDTQEYDYT ISRLSEIRGL MKEAITPNSS DATA SEQUENCE QTPFSQTGVQ TALMMKTDDG LYINLHEAAL VDYSCMHLNL DDKNMVFESW DATA SEQUENCE LTPDAKGDKG YMQTPCNTPW RTIIVSDDAR NILASRITLN LNEPCKIADA DATA SEQUENCE ASWVKPVKYI GVWWDMITGK GSWAYTDELT SVKLGETDYS KTKPNGKHSA DATA SEQUENCE NTANVKRYID FAAAHGFDAV LVEGWNEGWE DWFGNSKDYV FDFVTPYPDF DATA SEQUENCE DVKEIHRYAA RKGIKMMMHH ETSASVRNYE RHMDKAYQFM ADNGYNSVKS DATA SEQUENCE GYVGNIIPRG EHHYGQWMNN HYLYAVKKAA DYKIMVNAHE ATRPTGICRT DATA SEQUENCE YPNLIGNESA RGTEYESFGG NKVYHTTILP FTRLVGGPMD YTPGIFETHC DATA SEQUENCE NKMNPANNSQ VRSTIARQLA LYVTMYSPLQ MAADIPENYE RFMDAFQFIK DATA SEQUENCE DVALDWDETN YLEAEPGEYI TIARKAKDTD DWYVGCTAGE NGHTSKLVFD DATA SEQUENCE FLTPGKQYIA TVYADAKDAD WKENPQAYTI KKGILTNKSK LNLHAANGGG DATA SEQUENCE YAISIKEVKD KSEAKGLKRL 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.677 174.600 0.128 0.000 1.055 19 S CA 0.000 58.230 58.200 0.051 0.000 1.107 19 S CB 0.000 63.226 63.200 0.043 0.000 0.593 20 H N 0.326 119.426 119.070 0.050 0.000 3.115 20 H HA -0.119 4.437 4.556 0.000 0.000 0.298 20 H C 0.168 175.525 175.328 0.048 0.000 0.859 20 H CA 1.038 57.120 56.048 0.056 0.000 0.932 20 H CB -0.626 29.186 29.762 0.084 0.000 1.548 20 H HN 0.894 nan 8.280 nan 0.000 0.323 21 M N 3.120 122.797 119.600 0.129 0.000 2.234 21 M HA -0.073 4.407 4.480 0.000 0.000 0.326 21 M C 1.016 177.371 176.300 0.092 0.000 1.077 21 M CA 0.571 55.919 55.300 0.081 0.000 1.052 21 M CB 0.399 33.033 32.600 0.057 0.000 1.607 21 M HN 0.617 nan 8.290 nan 0.000 0.445 22 Q N 2.772 122.600 119.800 0.046 0.000 2.342 22 Q HA -0.084 4.256 4.340 0.000 0.000 0.330 22 Q C -1.283 174.756 176.000 0.064 0.000 1.117 22 Q CA 0.433 56.255 55.803 0.032 0.000 1.010 22 Q CB 0.139 28.869 28.738 -0.012 0.000 1.204 22 Q HN 0.640 nan 8.270 nan 0.000 0.400 23 Q N 1.371 121.229 119.800 0.098 0.000 2.222 23 Q HA 0.455 4.795 4.340 0.000 0.000 0.252 23 Q C -0.952 175.071 176.000 0.038 0.000 0.926 23 Q CA -0.523 55.327 55.803 0.078 0.000 0.899 23 Q CB 1.648 30.442 28.738 0.094 0.000 1.250 23 Q HN 0.380 nan 8.270 nan 0.000 0.441 24 K N 1.719 122.129 120.400 0.018 0.000 2.376 24 K HA 0.499 4.819 4.320 0.000 0.000 0.257 24 K C -1.397 175.200 176.600 -0.005 0.000 0.939 24 K CA -0.853 55.436 56.287 0.004 0.000 0.809 24 K CB 1.896 34.403 32.500 0.012 0.000 1.121 24 K HN 0.443 nan 8.250 nan 0.000 0.425 25 L N 1.741 122.955 121.223 -0.016 0.000 2.362 25 L HA 0.499 4.839 4.340 0.000 0.000 0.275 25 L C -0.824 176.055 176.870 0.015 0.000 0.998 25 L CA 0.086 54.922 54.840 -0.008 0.000 0.820 25 L CB 2.038 44.078 42.059 -0.032 0.000 1.270 25 L HN 0.521 nan 8.230 nan 0.000 0.415 26 T N 2.348 116.913 114.554 0.018 0.000 2.887 26 T HA 0.537 4.887 4.350 0.000 0.000 0.288 26 T C -0.254 174.457 174.700 0.018 0.000 1.021 26 T CA -0.477 61.637 62.100 0.024 0.000 1.000 26 T CB 1.465 70.343 68.868 0.017 0.000 1.034 26 T HN 0.771 nan 8.240 nan 0.000 0.467 27 S N 2.489 118.208 115.700 0.031 0.000 2.584 27 S HA 0.198 4.669 4.470 0.000 0.000 0.270 27 S C -1.851 172.732 174.600 -0.028 0.000 1.346 27 S CA -0.950 57.257 58.200 0.013 0.000 1.018 27 S CB 0.366 63.606 63.200 0.068 0.000 0.899 27 S HN 0.338 nan 8.310 nan 0.000 0.542 28 P HA -0.144 nan 4.420 nan 0.000 0.216 28 P C 0.690 177.980 177.300 -0.017 0.000 1.150 28 P CA 1.652 64.683 63.100 -0.115 0.000 0.843 28 P CB -0.167 31.309 31.700 -0.372 0.000 0.787 29 D N -2.390 118.011 120.400 0.002 0.000 2.328 29 D HA -0.024 4.616 4.640 0.000 0.000 0.226 29 D C 0.214 176.524 176.300 0.015 0.000 1.066 29 D CA -0.109 53.906 54.000 0.025 0.000 0.861 29 D CB -1.504 39.321 40.800 0.042 0.000 0.912 29 D HN 0.189 nan 8.370 nan 0.000 0.521 30 N N -0.729 117.978 118.700 0.012 0.000 2.900 30 N HA -0.227 4.513 4.740 0.000 0.000 0.240 30 N C 0.502 176.010 175.510 -0.004 0.000 0.953 30 N CA 0.738 53.792 53.050 0.007 0.000 0.950 30 N CB -1.053 37.435 38.487 0.002 0.000 1.102 30 N HN 0.157 nan 8.380 nan 0.000 0.593 31 N N 0.295 118.992 118.700 -0.005 0.000 2.270 31 N HA 0.028 4.768 4.740 0.000 0.000 0.181 31 N C 0.052 175.554 175.510 -0.013 0.000 1.016 31 N CA 0.994 54.006 53.050 -0.063 0.000 0.870 31 N CB 0.156 38.581 38.487 -0.105 0.000 0.979 31 N HN 0.216 nan 8.380 nan 0.000 0.431 32 L N 0.320 121.594 121.223 0.085 0.000 2.325 32 L HA 0.457 4.797 4.340 0.000 0.000 0.278 32 L C -0.350 176.579 176.870 0.099 0.000 1.023 32 L CA -0.602 54.325 54.840 0.145 0.000 0.811 32 L CB 2.275 44.465 42.059 0.219 0.000 1.249 32 L HN -0.313 nan 8.230 nan 0.000 0.431 33 V N 3.627 123.600 119.914 0.099 0.000 2.623 33 V HA 0.522 4.642 4.120 0.000 0.000 0.304 33 V C -0.463 175.679 176.094 0.080 0.000 1.054 33 V CA -0.504 61.838 62.300 0.069 0.000 0.882 33 V CB 1.916 33.766 31.823 0.044 0.000 1.002 33 V HN 0.703 nan 8.190 nan 0.000 0.424 34 M N 4.259 123.894 119.600 0.059 0.000 2.167 34 M HA 0.537 5.018 4.480 0.000 0.000 0.333 34 M C -0.656 175.640 176.300 -0.008 0.000 1.030 34 M CA 0.117 55.447 55.300 0.049 0.000 0.963 34 M CB 1.412 34.029 32.600 0.028 0.000 1.589 34 M HN 0.696 nan 8.290 nan 0.000 0.431 35 T N 6.114 120.672 114.554 0.007 0.000 2.771 35 T HA 0.537 4.887 4.350 0.000 0.000 0.281 35 T C -1.018 173.686 174.700 0.006 0.000 0.982 35 T CA -0.245 61.852 62.100 -0.004 0.000 0.978 35 T CB 0.785 69.647 68.868 -0.010 0.000 0.930 35 T HN 0.526 nan 8.240 nan 0.000 0.447 36 F N 3.559 123.414 119.950 -0.158 0.000 2.522 36 F HA 0.666 5.193 4.527 0.000 0.000 0.324 36 F C -0.597 175.163 175.800 -0.066 0.000 1.077 36 F CA -0.590 57.317 58.000 -0.156 0.000 0.944 36 F CB 1.482 40.298 39.000 -0.308 0.000 1.175 36 F HN 0.642 nan 8.300 nan 0.000 0.468 37 Q N 3.658 122.748 119.800 -1.183 0.000 2.617 37 Q HA 0.480 4.820 4.340 0.000 0.000 0.270 37 Q C -2.384 173.139 176.000 -0.796 0.000 0.967 37 Q CA -1.115 54.245 55.803 -0.738 0.000 0.887 37 Q CB 1.645 30.208 28.738 -0.292 0.000 1.516 37 Q HN 0.480 nan 8.270 nan 0.000 0.395 38 V N 2.886 122.557 119.914 -0.405 0.000 2.465 38 V HA 0.204 4.324 4.120 0.000 0.000 0.279 38 V C 0.144 176.180 176.094 -0.098 0.000 1.045 38 V CA -0.009 62.181 62.300 -0.183 0.000 0.938 38 V CB 1.012 32.849 31.823 0.024 0.000 0.986 38 V HN 0.934 nan 8.190 nan 0.000 0.467 39 D N 3.361 123.726 120.400 -0.060 0.000 2.414 39 D HA 0.064 4.705 4.640 0.000 0.000 0.259 39 D C 1.470 177.772 176.300 0.002 0.000 1.269 39 D CA 0.141 54.121 54.000 -0.033 0.000 1.028 39 D CB 0.336 41.120 40.800 -0.026 0.000 1.093 39 D HN 0.462 nan 8.370 nan 0.000 0.545 40 S N -1.087 114.614 115.700 0.001 0.000 2.440 40 S HA -0.251 4.219 4.470 0.000 0.000 0.238 40 S C 1.248 175.860 174.600 0.020 0.000 1.010 40 S CA 1.221 59.427 58.200 0.010 0.000 0.972 40 S CB -0.729 62.473 63.200 0.003 0.000 0.774 40 S HN 0.721 nan 8.310 nan 0.000 0.501 41 K N 0.222 120.640 120.400 0.029 0.000 2.372 41 K HA 0.496 4.816 4.320 0.000 0.000 0.200 41 K C 1.081 177.715 176.600 0.058 0.000 1.022 41 K CA 0.243 56.553 56.287 0.037 0.000 1.125 41 K CB -0.152 32.373 32.500 0.041 0.000 0.855 41 K HN 0.417 nan 8.250 nan 0.000 0.524 42 G N 0.656 109.501 108.800 0.075 0.000 2.137 42 G HA2 -0.280 3.680 3.960 0.000 0.000 0.237 42 G HA3 -0.280 3.680 3.960 0.000 0.000 0.237 42 G C 0.080 175.119 174.900 0.231 0.000 1.002 42 G CA -0.029 45.149 45.100 0.130 0.000 0.702 42 G HN 0.647 nan 8.290 nan 0.000 0.515 43 A N 0.429 123.354 122.820 0.175 0.000 2.276 43 A HA 0.763 5.083 4.320 0.000 0.000 0.300 43 A C -1.941 175.721 177.584 0.130 0.000 1.235 43 A CA -1.494 50.674 52.037 0.218 0.000 0.867 43 A CB 0.897 19.997 19.000 0.166 0.000 1.137 43 A HN 0.108 nan 8.150 nan 0.000 0.527 44 P HA 0.215 nan 4.420 nan 0.000 0.267 44 P C -0.427 176.902 177.300 0.049 0.000 1.209 44 P CA 0.674 63.836 63.100 0.104 0.000 0.763 44 P CB 0.825 32.668 31.700 0.240 0.000 0.816 45 T N 3.670 118.101 114.554 -0.204 0.000 2.886 45 T HA 0.594 4.944 4.350 0.000 0.000 0.292 45 T C -0.856 173.807 174.700 -0.062 0.000 1.012 45 T CA -0.440 61.604 62.100 -0.093 0.000 0.982 45 T CB 0.821 69.599 68.868 -0.149 0.000 1.018 45 T HN 0.327 nan 8.240 nan 0.000 0.451 46 Y N 0.293 120.550 120.300 -0.071 0.000 2.581 46 Y HA 0.835 5.385 4.550 0.000 0.000 0.345 46 Y C -0.778 175.108 175.900 -0.023 0.000 1.036 46 Y CA -1.204 56.875 58.100 -0.036 0.000 1.042 46 Y CB 1.654 40.131 38.460 0.029 0.000 1.289 46 Y HN 0.735 nan 8.280 nan 0.000 0.471 47 E N 2.616 122.728 120.200 -0.146 0.000 2.413 47 E HA 0.650 5.000 4.350 0.000 0.000 0.277 47 E C -2.375 174.242 176.600 0.027 0.000 0.958 47 E CA -1.212 55.080 56.400 -0.180 0.000 0.779 47 E CB 3.018 32.653 29.700 -0.108 0.000 1.278 47 E HN 0.717 nan 8.360 nan 0.000 0.456 48 L N 0.954 122.215 121.223 0.063 0.000 2.455 48 L HA 0.578 4.918 4.340 0.000 0.000 0.264 48 L C -1.267 175.686 176.870 0.138 0.000 0.968 48 L CA 0.066 54.998 54.840 0.152 0.000 0.827 48 L CB 2.432 44.646 42.059 0.259 0.000 1.317 48 L HN 0.877 nan 8.230 nan 0.000 0.407 49 T N 1.027 115.665 114.554 0.140 0.000 2.908 49 T HA 0.620 4.970 4.350 0.000 0.000 0.290 49 T C -1.283 173.541 174.700 0.207 0.000 1.034 49 T CA -0.565 61.621 62.100 0.144 0.000 1.010 49 T CB 1.558 70.479 68.868 0.087 0.000 1.068 49 T HN 0.550 nan 8.240 nan 0.000 0.481 50 Y N 1.519 121.858 120.300 0.065 0.000 2.329 50 Y HA 0.438 4.988 4.550 0.000 0.000 0.328 50 Y C 0.243 176.172 175.900 0.048 0.000 0.992 50 Y CA -0.981 57.156 58.100 0.062 0.000 1.151 50 Y CB 1.114 39.615 38.460 0.069 0.000 1.150 50 Y HN 0.970 nan 8.280 nan 0.000 0.450 51 K N 5.675 125.830 120.400 -0.409 0.000 3.077 51 K HA -0.338 3.983 4.320 0.000 0.000 0.264 51 K C -0.049 176.480 176.600 -0.118 0.000 1.008 51 K CA 1.031 57.116 56.287 -0.335 0.000 0.740 51 K CB -1.166 31.028 32.500 -0.510 0.000 1.273 51 K HN 0.980 nan 8.250 nan 0.000 0.477 52 N N -1.383 117.288 118.700 -0.049 0.000 2.828 52 N HA -0.172 4.568 4.740 0.000 0.000 0.248 52 N C -0.719 174.807 175.510 0.027 0.000 1.044 52 N CA 1.596 54.644 53.050 -0.004 0.000 0.851 52 N CB -0.562 37.917 38.487 -0.013 0.000 1.136 52 N HN 0.527 nan 8.380 nan 0.000 0.572 53 K N 0.675 121.110 120.400 0.059 0.000 2.182 53 K HA 0.511 4.831 4.320 0.000 0.000 0.262 53 K C 0.106 176.774 176.600 0.114 0.000 0.957 53 K CA -0.662 55.679 56.287 0.089 0.000 0.842 53 K CB 2.309 34.882 32.500 0.121 0.000 1.099 53 K HN -0.186 nan 8.250 nan 0.000 0.438 54 V N 3.657 123.627 119.914 0.094 0.000 2.529 54 V HA -0.043 4.077 4.120 0.000 0.000 0.292 54 V C 0.999 177.171 176.094 0.129 0.000 1.028 54 V CA 0.204 62.562 62.300 0.098 0.000 1.074 54 V CB 1.028 32.895 31.823 0.073 0.000 0.958 54 V HN 0.675 nan 8.190 nan 0.000 0.481 55 V N 5.360 125.360 119.914 0.144 0.000 2.806 55 V HA 0.264 4.384 4.120 0.000 0.000 0.239 55 V C 0.412 176.617 176.094 0.186 0.000 1.113 55 V CA 0.627 63.026 62.300 0.165 0.000 1.137 55 V CB 0.417 32.344 31.823 0.174 0.000 0.865 55 V HN 0.601 nan 8.190 nan 0.000 0.482 56 I N 1.417 122.077 120.570 0.150 0.000 2.439 56 I HA 0.392 4.562 4.170 0.000 0.000 0.285 56 I C -0.083 176.028 176.117 -0.011 0.000 1.021 56 I CA -0.573 60.789 61.300 0.104 0.000 1.091 56 I CB 1.470 39.532 38.000 0.105 0.000 1.242 56 I HN 0.205 nan 8.210 nan 0.000 0.439 57 K N 6.005 126.398 120.400 -0.011 0.000 2.149 57 K HA 0.305 4.625 4.320 0.000 0.000 0.245 57 K C -2.324 174.193 176.600 -0.139 0.000 1.024 57 K CA -1.395 54.863 56.287 -0.048 0.000 0.899 57 K CB 0.079 32.567 32.500 -0.019 0.000 1.038 57 K HN 0.239 nan 8.250 nan 0.000 0.496 58 P HA -0.064 nan 4.420 nan 0.000 0.256 58 P C -1.247 175.949 177.300 -0.173 0.000 1.173 58 P CA 0.813 63.817 63.100 -0.161 0.000 0.768 58 P CB 0.423 32.064 31.700 -0.098 0.000 0.758 59 S N 1.413 116.943 115.700 -0.282 0.000 2.538 59 S HA 0.534 5.004 4.470 0.000 0.000 0.288 59 S C -0.105 174.477 174.600 -0.029 0.000 1.108 59 S CA -0.695 57.393 58.200 -0.187 0.000 0.971 59 S CB 1.350 64.365 63.200 -0.308 0.000 1.041 59 S HN 0.463 nan 8.310 nan 0.000 0.483 60 T N 0.868 115.455 114.554 0.055 0.000 2.899 60 T HA 0.771 5.121 4.350 0.000 0.000 0.284 60 T C -0.374 174.440 174.700 0.191 0.000 1.004 60 T CA -0.720 61.453 62.100 0.122 0.000 1.043 60 T CB 0.174 69.102 68.868 0.100 0.000 1.013 60 T HN 0.434 nan 8.240 nan 0.000 0.518 61 L N 0.821 122.176 121.223 0.220 0.000 2.401 61 L HA 0.808 5.149 4.340 0.000 0.000 0.266 61 L C 0.449 177.555 176.870 0.394 0.000 0.991 61 L CA -0.735 54.273 54.840 0.280 0.000 0.818 61 L CB 2.140 44.239 42.059 0.066 0.000 1.321 61 L HN 1.199 nan 8.230 nan 0.000 0.413 62 G N 1.899 110.986 108.800 0.477 0.000 2.320 62 G HA2 0.499 4.459 3.960 0.000 0.000 0.297 62 G HA3 0.499 4.459 3.960 0.000 0.000 0.297 62 G C -2.317 172.719 174.900 0.227 0.000 1.344 62 G CA -0.726 44.597 45.100 0.372 0.000 0.851 62 G HN 0.306 nan 8.290 nan 0.000 0.567 63 L N -0.388 120.987 121.223 0.254 0.000 2.415 63 L HA 0.744 5.085 4.340 0.000 0.000 0.256 63 L C -0.262 176.818 176.870 0.351 0.000 1.010 63 L CA -0.744 54.200 54.840 0.174 0.000 0.826 63 L CB 2.437 44.501 42.059 0.008 0.000 1.405 63 L HN 0.768 nan 8.230 nan 0.000 0.410 64 E N 1.497 121.849 120.200 0.253 0.000 2.171 64 E HA 0.664 5.014 4.350 0.000 0.000 0.271 64 E C -1.562 175.091 176.600 0.087 0.000 0.916 64 E CA -0.563 56.015 56.400 0.297 0.000 0.774 64 E CB 1.265 31.167 29.700 0.337 0.000 1.128 64 E HN 0.476 nan 8.360 nan 0.000 0.403 65 L N 3.116 124.372 121.223 0.055 0.000 2.352 65 L HA 0.467 4.807 4.340 0.000 0.000 0.269 65 L C 0.334 177.198 176.870 -0.010 0.000 1.034 65 L CA -1.005 53.839 54.840 0.008 0.000 0.806 65 L CB 1.223 43.274 42.059 -0.012 0.000 1.244 65 L HN 0.460 nan 8.230 nan 0.000 0.447 66 K N 1.909 122.284 120.400 -0.042 0.000 2.326 66 K HA 0.089 4.409 4.320 0.000 0.000 0.275 66 K C -0.154 176.425 176.600 -0.034 0.000 1.018 66 K CA -0.358 55.897 56.287 -0.054 0.000 0.962 66 K CB 0.789 33.226 32.500 -0.104 0.000 0.953 66 K HN 0.445 nan 8.250 nan 0.000 0.475 67 K N 3.389 123.774 120.400 -0.025 0.000 2.412 67 K HA -0.019 4.301 4.320 0.000 0.000 0.281 67 K C -0.389 176.199 176.600 -0.019 0.000 1.027 67 K CA 0.095 56.371 56.287 -0.019 0.000 0.989 67 K CB 0.565 33.057 32.500 -0.014 0.000 0.935 67 K HN 0.557 nan 8.250 nan 0.000 0.475 85 K N 1.138 121.534 120.400 -0.006 0.000 2.575 85 K HA 0.702 5.022 4.320 0.000 0.000 0.279 85 K C -1.187 175.408 176.600 -0.008 0.000 0.969 85 K CA -1.281 55.002 56.287 -0.007 0.000 0.868 85 K CB 1.322 33.817 32.500 -0.009 0.000 1.457 85 K HN 0.098 nan 8.250 nan 0.000 0.426 86 L N 1.452 122.671 121.223 -0.007 0.000 2.485 86 L HA 0.076 4.416 4.340 0.000 0.000 0.275 86 L C 0.113 176.972 176.870 -0.018 0.000 1.207 86 L CA -0.026 54.810 54.840 -0.007 0.000 0.855 86 L CB 0.165 42.224 42.059 -0.001 0.000 1.114 86 L HN 0.671 nan 8.230 nan 0.000 0.485 87 D N 1.067 121.455 120.400 -0.020 0.000 2.329 87 D HA 0.090 4.730 4.640 0.000 0.000 0.232 87 D C 1.015 177.283 176.300 -0.054 0.000 1.088 87 D CA -0.274 53.706 54.000 -0.034 0.000 0.835 87 D CB 1.595 42.377 40.800 -0.029 0.000 1.078 87 D HN 0.557 nan 8.370 nan 0.000 0.495 88 S N 3.679 119.335 115.700 -0.074 0.000 2.440 88 S HA -0.176 4.295 4.470 0.000 0.000 0.238 88 S C 1.442 175.953 174.600 -0.149 0.000 1.010 88 S CA 0.751 58.881 58.200 -0.117 0.000 0.972 88 S CB -0.116 63.009 63.200 -0.126 0.000 0.774 88 S HN 0.494 nan 8.310 nan 0.000 0.501 89 K N 1.180 121.512 120.400 -0.114 0.000 2.362 89 K HA -0.048 4.272 4.320 0.000 0.000 0.200 89 K C 2.233 178.760 176.600 -0.122 0.000 1.046 89 K CA 1.464 57.677 56.287 -0.122 0.000 0.952 89 K CB -0.498 31.952 32.500 -0.083 0.000 0.753 89 K HN 0.785 nan 8.250 nan 0.000 0.466 90 T N -1.117 113.381 114.554 -0.092 0.000 3.055 90 T HA -0.063 4.287 4.350 0.000 0.000 0.265 90 T C 0.845 175.498 174.700 -0.079 0.000 1.111 90 T CA 0.176 62.245 62.100 -0.052 0.000 1.118 90 T CB -0.123 68.746 68.868 0.002 0.000 0.909 90 T HN -0.053 nan 8.240 nan 0.000 0.501 91 N N 1.299 119.860 118.700 -0.231 0.000 2.415 91 N HA 0.197 4.937 4.740 0.000 0.000 0.246 91 N C -0.714 174.469 175.510 -0.544 0.000 1.078 91 N CA -0.591 52.101 53.050 -0.597 0.000 0.942 91 N CB 1.033 39.111 38.487 -0.682 0.000 1.140 91 N HN 0.238 nan 8.380 nan 0.000 0.501 92 L N 5.666 126.660 121.223 -0.381 0.000 3.255 92 L HA 0.308 4.648 4.340 0.000 0.000 0.293 92 L C -0.640 176.398 176.870 0.280 0.000 1.302 92 L CA -0.254 54.561 54.840 -0.041 0.000 0.977 92 L CB -0.264 41.818 42.059 0.038 0.000 1.390 92 L HN 0.557 nan 8.230 nan 0.000 0.588 93 Y N -3.151 117.325 120.300 0.293 0.000 2.441 93 Y HA 0.588 5.138 4.550 0.000 0.000 0.266 93 Y C 0.122 176.262 175.900 0.401 0.000 1.093 93 Y CA -0.607 57.717 58.100 0.373 0.000 1.246 93 Y CB -0.046 38.542 38.460 0.213 0.000 1.262 93 Y HN 0.238 nan 8.280 nan 0.000 0.518 94 D N -1.626 118.847 120.400 0.121 0.000 2.752 94 D HA 0.476 5.116 4.640 0.000 0.000 0.313 94 D C 0.904 177.049 176.300 -0.258 0.000 1.225 94 D CA -0.673 53.412 54.000 0.142 0.000 0.976 94 D CB 0.922 41.853 40.800 0.218 0.000 1.443 94 D HN 0.454 nan 8.370 nan 0.000 0.515 95 G N -1.392 107.339 108.800 -0.115 0.000 2.147 95 G HA2 -0.197 3.763 3.960 0.000 0.000 0.244 95 G HA3 -0.197 3.763 3.960 0.000 0.000 0.244 95 G C -0.377 174.361 174.900 -0.269 0.000 1.005 95 G CA 0.228 45.200 45.100 -0.213 0.000 0.713 95 G HN 0.341 nan 8.290 nan 0.000 0.515 96 F N 0.717 120.661 119.950 -0.010 0.000 2.380 96 F HA 0.637 5.164 4.527 0.000 0.000 0.321 96 F C 0.833 176.671 175.800 0.063 0.000 1.103 96 F CA -0.068 57.942 58.000 0.017 0.000 1.067 96 F CB 1.150 40.190 39.000 0.067 0.000 1.265 96 F HN 0.349 nan 8.300 nan 0.000 0.517 97 E N -0.515 119.891 120.200 0.344 0.000 2.331 97 E HA 0.488 4.839 4.350 0.000 0.000 0.275 97 E C -1.900 174.878 176.600 0.296 0.000 0.895 97 E CA -1.026 55.537 56.400 0.272 0.000 0.753 97 E CB 1.927 31.765 29.700 0.231 0.000 1.216 97 E HN 0.269 nan 8.360 nan 0.000 0.434 98 V N 3.820 123.901 119.914 0.278 0.000 2.446 98 V HA 0.008 4.128 4.120 0.000 0.000 0.276 98 V C 1.245 177.488 176.094 0.249 0.000 1.030 98 V CA 0.390 62.829 62.300 0.232 0.000 1.033 98 V CB 0.676 32.610 31.823 0.184 0.000 0.993 98 V HN 0.826 nan 8.190 nan 0.000 0.477 99 K N 2.861 123.357 120.400 0.160 0.000 2.276 99 K HA 0.118 4.438 4.320 0.000 0.000 0.198 99 K C 0.272 176.917 176.600 0.076 0.000 1.052 99 K CA 0.522 56.892 56.287 0.138 0.000 0.984 99 K CB 0.467 33.031 32.500 0.105 0.000 0.836 99 K HN 0.789 nan 8.250 nan 0.000 0.490 100 D N -0.526 119.861 120.400 -0.022 0.000 2.648 100 D HA 0.173 4.813 4.640 0.000 0.000 0.244 100 D C -1.833 174.387 176.300 -0.133 0.000 1.244 100 D CA -0.301 53.658 54.000 -0.069 0.000 0.772 100 D CB 2.037 42.825 40.800 -0.019 0.000 1.379 100 D HN 0.145 nan 8.370 nan 0.000 0.428 101 T N -0.607 113.869 114.554 -0.130 0.000 2.933 101 T HA 0.784 5.134 4.350 0.000 0.000 0.305 101 T C -1.078 173.587 174.700 -0.058 0.000 1.092 101 T CA -0.824 61.207 62.100 -0.114 0.000 1.008 101 T CB 1.809 70.588 68.868 -0.148 0.000 1.102 101 T HN 0.211 nan 8.240 nan 0.000 0.469 102 Q N 1.325 121.100 119.800 -0.041 0.000 2.347 102 Q HA 0.706 5.046 4.340 0.000 0.000 0.271 102 Q C -0.435 175.567 176.000 0.003 0.000 1.064 102 Q CA -0.731 55.064 55.803 -0.013 0.000 0.800 102 Q CB 2.425 31.160 28.738 -0.006 0.000 1.304 102 Q HN 0.982 nan 8.270 nan 0.000 0.438 103 T N -1.327 113.236 114.554 0.015 0.000 2.932 103 T HA 0.992 5.342 4.350 0.000 0.000 0.289 103 T C -0.630 174.094 174.700 0.039 0.000 1.039 103 T CA -0.735 61.382 62.100 0.029 0.000 1.024 103 T CB 1.890 70.771 68.868 0.021 0.000 1.090 103 T HN 0.745 nan 8.240 nan 0.000 0.496 104 A N 0.947 123.800 122.820 0.054 0.000 2.586 104 A HA 0.736 5.056 4.320 0.000 0.000 0.291 104 A C -0.653 176.956 177.584 0.042 0.000 1.062 104 A CA -0.969 51.100 52.037 0.053 0.000 0.666 104 A CB 1.267 20.315 19.000 0.079 0.000 1.281 104 A HN 0.915 nan 8.150 nan 0.000 0.421 105 T N 0.819 115.376 114.554 0.005 0.000 2.861 105 T HA 0.669 5.019 4.350 0.000 0.000 0.287 105 T C -1.442 173.198 174.700 -0.101 0.000 1.003 105 T CA -0.081 61.987 62.100 -0.053 0.000 0.977 105 T CB 0.952 69.809 68.868 -0.020 0.000 0.996 105 T HN 0.731 nan 8.240 nan 0.000 0.448 106 F N 2.467 122.116 119.950 -0.503 0.000 2.540 106 F HA 0.620 5.147 4.527 0.000 0.000 0.317 106 F C -1.116 174.472 175.800 -0.354 0.000 1.104 106 F CA -0.756 56.930 58.000 -0.523 0.000 0.913 106 F CB 1.632 40.073 39.000 -0.932 0.000 1.170 106 F HN 0.413 nan 8.300 nan 0.000 0.450 107 D N 4.634 124.658 120.400 -0.627 0.000 2.337 107 D HA 0.238 4.878 4.640 0.000 0.000 0.238 107 D C -1.501 174.520 176.300 -0.466 0.000 1.331 107 D CA -0.079 53.680 54.000 -0.402 0.000 0.967 107 D CB 0.657 41.156 40.800 -0.503 0.000 1.382 107 D HN 0.492 nan 8.370 nan 0.000 0.549 108 E N 1.029 121.063 120.200 -0.276 0.000 2.383 108 E HA 0.498 4.848 4.350 0.000 0.000 0.275 108 E C -0.715 175.974 176.600 0.149 0.000 0.918 108 E CA -0.721 55.599 56.400 -0.132 0.000 0.764 108 E CB 2.026 31.597 29.700 -0.215 0.000 1.252 108 E HN 0.171 nan 8.360 nan 0.000 0.449 109 T N 2.257 116.882 114.554 0.119 0.000 2.855 109 T HA 0.615 4.965 4.350 0.000 0.000 0.281 109 T C -0.630 174.206 174.700 0.226 0.000 1.007 109 T CA -0.845 61.338 62.100 0.139 0.000 1.009 109 T CB 0.729 69.607 68.868 0.017 0.000 0.983 109 T HN 0.366 nan 8.240 nan 0.000 0.455 110 W N 1.606 122.916 121.300 0.017 0.000 2.992 110 W HA 0.641 5.301 4.660 0.000 0.000 0.342 110 W C -1.490 175.012 176.519 -0.028 0.000 1.176 110 W CA -1.219 56.123 57.345 -0.004 0.000 1.118 110 W CB 0.950 30.413 29.460 0.004 0.000 1.457 110 W HN 0.460 nan 8.180 nan 0.000 0.573 111 Q N 2.548 122.398 119.800 0.083 0.000 2.325 111 Q HA 0.361 4.702 4.340 0.000 0.000 0.270 111 Q C -2.215 173.774 176.000 -0.018 0.000 1.020 111 Q CA -1.793 53.938 55.803 -0.121 0.000 0.785 111 Q CB 2.796 31.498 28.738 -0.059 0.000 1.259 111 Q HN 0.083 nan 8.270 nan 0.000 0.452 112 P HA 0.070 nan 4.420 nan 0.000 0.276 112 P C 0.565 177.779 177.300 -0.144 0.000 1.244 112 P CA -0.345 62.694 63.100 -0.101 0.000 0.801 112 P CB 1.366 32.905 31.700 -0.268 0.000 1.006 113 V N -0.149 119.631 119.914 -0.223 0.000 2.343 113 V HA -0.079 4.042 4.120 0.000 0.000 0.247 113 V C 0.933 177.014 176.094 -0.023 0.000 1.051 113 V CA 1.451 63.658 62.300 -0.154 0.000 1.036 113 V CB -0.887 30.822 31.823 -0.190 0.000 0.654 113 V HN 0.663 nan 8.190 nan 0.000 0.451 114 W N -1.763 119.537 121.300 0.000 0.000 3.127 114 W HA 0.694 5.354 4.660 0.000 0.000 0.330 114 W C -0.199 176.370 176.519 0.084 0.000 1.187 114 W CA -0.292 57.066 57.345 0.021 0.000 1.198 114 W CB 1.097 30.570 29.460 0.022 0.000 1.408 114 W HN 0.110 nan 8.180 nan 0.000 0.529 115 G N 0.478 109.528 108.800 0.417 0.000 2.341 115 G HA2 0.134 4.094 3.960 0.000 0.000 0.299 115 G HA3 0.134 4.094 3.960 0.000 0.000 0.299 115 G C -0.447 174.479 174.900 0.044 0.000 1.274 115 G CA -0.651 44.582 45.100 0.222 0.000 0.853 115 G HN 0.464 nan 8.290 nan 0.000 0.493 116 E N 0.147 120.164 120.200 -0.305 0.000 2.435 116 E HA 0.096 4.446 4.350 0.000 0.000 0.195 116 E C 0.410 176.941 176.600 -0.114 0.000 1.029 116 E CA 0.975 57.197 56.400 -0.297 0.000 0.865 116 E CB 0.225 29.644 29.700 -0.468 0.000 0.833 116 E HN 0.512 nan 8.360 nan 0.000 0.510 117 E N -0.202 119.933 120.200 -0.108 0.000 2.423 117 E HA 0.144 4.494 4.350 0.000 0.000 0.280 117 E C -0.127 176.400 176.600 -0.122 0.000 1.030 117 E CA -0.610 55.729 56.400 -0.100 0.000 0.812 117 E CB 1.207 30.828 29.700 -0.133 0.000 1.313 117 E HN -0.165 nan 8.360 nan 0.000 0.456 118 K N 0.215 120.551 120.400 -0.106 0.000 2.026 118 K HA -0.064 4.256 4.320 0.000 0.000 0.208 118 K C 0.027 176.520 176.600 -0.178 0.000 1.048 118 K CA 1.466 57.684 56.287 -0.115 0.000 0.929 118 K CB 0.263 32.714 32.500 -0.082 0.000 0.713 118 K HN 0.499 nan 8.250 nan 0.000 0.439 119 E N 0.064 120.147 120.200 -0.197 0.000 2.288 119 E HA 0.379 4.729 4.350 0.000 0.000 0.268 119 E C -1.180 175.217 176.600 -0.338 0.000 0.885 119 E CA -0.621 55.620 56.400 -0.264 0.000 0.767 119 E CB 2.328 31.932 29.700 -0.160 0.000 1.220 119 E HN 0.097 nan 8.360 nan 0.000 0.427 120 I N 2.082 122.323 120.570 -0.547 0.000 2.465 120 I HA 0.363 4.533 4.170 0.000 0.000 0.291 120 I C -0.211 175.734 176.117 -0.287 0.000 1.014 120 I CA -0.712 60.274 61.300 -0.522 0.000 1.093 120 I CB 1.858 39.295 38.000 -0.938 0.000 1.267 120 I HN 0.228 nan 8.210 nan 0.000 0.431 121 R N 5.317 125.786 120.500 -0.053 0.000 2.254 121 R HA 0.288 4.628 4.340 0.000 0.000 0.318 121 R C -0.513 175.955 176.300 0.281 0.000 1.031 121 R CA -0.307 55.857 56.100 0.108 0.000 0.905 121 R CB 0.804 31.162 30.300 0.096 0.000 1.050 121 R HN 0.672 nan 8.270 nan 0.000 0.456 122 N N 3.089 122.048 118.700 0.431 0.000 2.707 122 N HA 0.053 4.794 4.740 0.000 0.000 0.235 122 N C -1.555 174.328 175.510 0.621 0.000 1.028 122 N CA -0.332 53.091 53.050 0.622 0.000 0.906 122 N CB 0.495 39.411 38.487 0.715 0.000 1.131 122 N HN 0.611 nan 8.380 nan 0.000 0.509 123 H N 4.068 123.401 119.070 0.438 0.000 2.800 123 H HA 0.227 4.784 4.556 0.000 0.000 0.322 123 H C -1.493 173.883 175.328 0.081 0.000 0.979 123 H CA -0.689 55.467 56.048 0.180 0.000 1.277 123 H CB 0.658 30.497 29.762 0.128 0.000 1.484 123 H HN 0.555 nan 8.280 nan 0.000 0.512 124 Y N 2.079 122.328 120.300 -0.085 0.000 2.625 124 Y HA 0.428 4.978 4.550 0.000 0.000 0.338 124 Y C -1.609 174.147 175.900 -0.239 0.000 1.123 124 Y CA -1.393 56.386 58.100 -0.534 0.000 1.046 124 Y CB 1.022 38.700 38.460 -1.303 0.000 1.299 124 Y HN 0.382 nan 8.280 nan 0.000 0.464 125 N N 1.775 120.448 118.700 -0.046 0.000 2.399 125 N HA 0.286 5.026 4.740 0.000 0.000 0.295 125 N C -1.457 174.136 175.510 0.139 0.000 1.048 125 N CA -0.656 52.406 53.050 0.021 0.000 0.886 125 N CB 2.181 40.661 38.487 -0.011 0.000 1.185 125 N HN 0.855 nan 8.380 nan 0.000 0.487 126 E N 1.535 121.837 120.200 0.170 0.000 2.227 126 E HA 0.513 4.863 4.350 0.000 0.000 0.268 126 E C -1.486 175.182 176.600 0.114 0.000 0.907 126 E CA -0.760 55.750 56.400 0.184 0.000 0.786 126 E CB 1.522 31.385 29.700 0.271 0.000 1.191 126 E HN 0.277 nan 8.360 nan 0.000 0.411 127 L N 3.128 124.425 121.223 0.124 0.000 2.439 127 L HA 0.672 5.012 4.340 0.000 0.000 0.270 127 L C -1.713 175.212 176.870 0.091 0.000 0.972 127 L CA -0.306 54.580 54.840 0.077 0.000 0.836 127 L CB 1.584 43.659 42.059 0.027 0.000 1.255 127 L HN 0.554 nan 8.230 nan 0.000 0.404 128 A N 5.055 127.879 122.820 0.007 0.000 2.304 128 A HA 0.800 5.121 4.320 0.000 0.000 0.314 128 A C -1.265 176.252 177.584 -0.113 0.000 1.187 128 A CA -0.524 51.477 52.037 -0.060 0.000 0.810 128 A CB 1.321 20.288 19.000 -0.054 0.000 1.183 128 A HN 0.512 nan 8.150 nan 0.000 0.487 129 V N 2.597 122.396 119.914 -0.192 0.000 2.384 129 V HA 0.415 4.536 4.120 0.000 0.000 0.287 129 V C 0.201 176.187 176.094 -0.181 0.000 1.020 129 V CA -0.366 61.800 62.300 -0.224 0.000 0.850 129 V CB 1.677 33.246 31.823 -0.424 0.000 0.987 129 V HN 0.890 nan 8.190 nan 0.000 0.436 130 T N 7.030 121.521 114.554 -0.105 0.000 2.743 130 T HA 0.587 4.937 4.350 0.000 0.000 0.293 130 T C -0.252 174.458 174.700 0.016 0.000 0.945 130 T CA -0.098 61.972 62.100 -0.050 0.000 1.030 130 T CB 0.311 69.169 68.868 -0.016 0.000 0.912 130 T HN 0.359 nan 8.240 nan 0.000 0.483 131 L N 4.141 125.381 121.223 0.029 0.000 2.298 131 L HA 0.474 4.814 4.340 0.000 0.000 0.284 131 L C -0.718 176.363 176.870 0.351 0.000 1.013 131 L CA -1.146 53.776 54.840 0.137 0.000 0.824 131 L CB 0.849 42.822 42.059 -0.143 0.000 1.221 131 L HN 0.591 nan 8.230 nan 0.000 0.418 132 Y N 3.231 123.683 120.300 0.254 0.000 2.323 132 Y HA 0.305 4.855 4.550 0.000 0.000 0.331 132 Y C -0.149 175.877 175.900 0.210 0.000 1.092 132 Y CA -0.500 57.724 58.100 0.208 0.000 1.150 132 Y CB 1.436 39.967 38.460 0.117 0.000 1.200 132 Y HN 0.532 nan 8.280 nan 0.000 0.472 133 Q N 8.658 128.085 119.800 -0.623 0.000 2.506 133 Q HA 0.318 4.658 4.340 0.000 0.000 0.242 133 Q C -2.225 173.212 176.000 -0.938 0.000 1.060 133 Q CA -2.186 53.191 55.803 -0.711 0.000 0.826 133 Q CB 1.467 29.773 28.738 -0.719 0.000 1.169 133 Q HN 0.504 nan 8.270 nan 0.000 0.521 134 P HA -0.275 nan 4.420 nan 0.000 0.216 134 P C 1.207 178.345 177.300 -0.270 0.000 1.157 134 P CA 1.824 64.671 63.100 -0.422 0.000 0.880 134 P CB -0.029 31.609 31.700 -0.103 0.000 0.791 135 M N -3.162 116.281 119.600 -0.261 0.000 2.358 135 M HA -0.058 4.422 4.480 0.000 0.000 0.264 135 M C 0.733 176.920 176.300 -0.189 0.000 1.064 135 M CA 2.017 57.202 55.300 -0.192 0.000 1.093 135 M CB -0.454 32.031 32.600 -0.192 0.000 1.401 135 M HN -0.166 nan 8.290 nan 0.000 0.440 136 N N 0.243 118.791 118.700 -0.253 0.000 2.171 136 N HA 0.033 4.773 4.740 0.000 0.000 0.212 136 N C -0.519 174.899 175.510 -0.154 0.000 1.184 136 N CA 0.330 53.263 53.050 -0.195 0.000 0.888 136 N CB 0.261 38.613 38.487 -0.225 0.000 1.038 136 N HN 0.368 nan 8.380 nan 0.000 0.517 137 D N 1.726 122.011 120.400 -0.191 0.000 2.697 137 D HA -0.212 4.429 4.640 0.000 0.000 0.235 137 D C -0.385 175.947 176.300 0.052 0.000 1.167 137 D CA 0.872 54.860 54.000 -0.019 0.000 0.656 137 D CB -0.695 40.156 40.800 0.086 0.000 1.025 137 D HN 0.551 nan 8.370 nan 0.000 0.419 138 R N -1.590 118.864 120.500 -0.076 0.000 2.739 138 R HA 0.801 5.141 4.340 0.000 0.000 0.271 138 R C -1.256 175.107 176.300 0.105 0.000 1.010 138 R CA -1.051 55.078 56.100 0.048 0.000 0.897 138 R CB 1.421 31.707 30.300 -0.023 0.000 1.236 138 R HN 0.002 nan 8.270 nan 0.000 0.466 139 S N 0.945 116.760 115.700 0.192 0.000 2.599 139 S HA 0.724 5.194 4.470 0.000 0.000 0.287 139 S C -0.396 174.304 174.600 0.167 0.000 1.105 139 S CA -0.828 57.514 58.200 0.238 0.000 0.899 139 S CB 1.527 64.884 63.200 0.261 0.000 1.100 139 S HN 0.642 nan 8.310 nan 0.000 0.482 140 I N -1.908 118.737 120.570 0.125 0.000 3.174 140 I HA 0.913 5.083 4.170 0.000 0.000 0.313 140 I C -1.575 174.471 176.117 -0.119 0.000 1.155 140 I CA -1.191 60.101 61.300 -0.012 0.000 0.977 140 I CB 1.846 39.831 38.000 -0.024 0.000 1.248 140 I HN 0.360 nan 8.210 nan 0.000 0.453 141 V N 3.299 123.071 119.914 -0.237 0.000 2.656 141 V HA 0.520 4.640 4.120 0.000 0.000 0.307 141 V C -0.369 175.493 176.094 -0.388 0.000 1.051 141 V CA -0.421 61.722 62.300 -0.261 0.000 0.893 141 V CB 2.023 33.715 31.823 -0.217 0.000 0.999 141 V HN 0.511 nan 8.190 nan 0.000 0.426 142 I N 4.389 124.694 120.570 -0.441 0.000 2.382 142 I HA 0.535 4.706 4.170 0.000 0.000 0.286 142 I C -0.037 175.681 176.117 -0.666 0.000 1.002 142 I CA -0.484 60.413 61.300 -0.673 0.000 1.135 142 I CB 1.587 39.121 38.000 -0.777 0.000 1.288 142 I HN 0.512 nan 8.210 nan 0.000 0.448 143 R N 6.162 126.258 120.500 -0.673 0.000 2.338 143 R HA 0.584 4.924 4.340 0.000 0.000 0.317 143 R C -1.653 174.410 176.300 -0.395 0.000 0.968 143 R CA -0.432 55.425 56.100 -0.405 0.000 0.849 143 R CB 1.023 31.162 30.300 -0.270 0.000 1.128 143 R HN 0.339 nan 8.270 nan 0.000 0.448 144 F N 2.927 122.860 119.950 -0.029 0.000 2.458 144 F HA 0.519 5.046 4.527 0.000 0.000 0.336 144 F C 0.339 176.175 175.800 0.060 0.000 1.114 144 F CA -0.735 57.301 58.000 0.061 0.000 0.987 144 F CB 1.838 40.820 39.000 -0.029 0.000 1.130 144 F HN 0.244 nan 8.300 nan 0.000 0.458 145 R N 3.049 123.677 120.500 0.213 0.000 2.451 145 R HA 0.536 4.876 4.340 0.000 0.000 0.307 145 R C -1.776 174.496 176.300 -0.048 0.000 0.965 145 R CA -1.018 55.009 56.100 -0.122 0.000 0.865 145 R CB 2.117 32.017 30.300 -0.666 0.000 1.174 145 R HN 0.451 nan 8.270 nan 0.000 0.455 146 L N 4.651 125.834 121.223 -0.066 0.000 2.287 146 L HA 0.529 4.869 4.340 0.000 0.000 0.287 146 L C -1.320 175.497 176.870 -0.088 0.000 1.022 146 L CA -0.211 54.656 54.840 0.045 0.000 0.814 146 L CB 0.650 42.762 42.059 0.090 0.000 1.217 146 L HN 0.433 nan 8.230 nan 0.000 0.420 147 F N 2.616 122.616 119.950 0.083 0.000 2.518 147 F HA 0.438 4.966 4.527 0.000 0.000 0.338 147 F C 1.493 177.324 175.800 0.051 0.000 1.065 147 F CA -0.791 57.245 58.000 0.060 0.000 1.012 147 F CB 0.671 39.706 39.000 0.058 0.000 1.297 147 F HN 0.401 nan 8.300 nan 0.000 0.489 148 N N 0.601 119.446 118.700 0.241 0.000 2.453 148 N HA -0.111 4.629 4.740 0.000 0.000 0.183 148 N C 0.554 176.182 175.510 0.198 0.000 1.041 148 N CA 1.061 54.215 53.050 0.174 0.000 0.900 148 N CB -0.375 38.190 38.487 0.130 0.000 0.961 148 N HN 0.576 nan 8.380 nan 0.000 0.443 149 D N -1.732 118.779 120.400 0.184 0.000 2.479 149 D HA 0.300 4.940 4.640 0.000 0.000 0.218 149 D C 0.687 177.032 176.300 0.074 0.000 1.177 149 D CA -0.332 53.728 54.000 0.099 0.000 0.830 149 D CB 0.403 41.217 40.800 0.023 0.000 1.014 149 D HN 0.095 nan 8.370 nan 0.000 0.503 150 G N -0.247 108.654 108.800 0.168 0.000 2.321 150 G HA2 0.378 4.338 3.960 0.000 0.000 0.298 150 G HA3 0.378 4.338 3.960 0.000 0.000 0.298 150 G C -2.464 172.610 174.900 0.290 0.000 1.385 150 G CA -0.900 44.300 45.100 0.165 0.000 0.856 150 G HN 0.202 nan 8.290 nan 0.000 0.584 151 L N 0.352 121.739 121.223 0.274 0.000 2.346 151 L HA 0.940 5.281 4.340 0.000 0.000 0.276 151 L C 0.338 177.389 176.870 0.301 0.000 1.006 151 L CA 0.084 55.129 54.840 0.341 0.000 0.817 151 L CB 1.973 44.267 42.059 0.390 0.000 1.272 151 L HN 1.293 nan 8.230 nan 0.000 0.421 152 G N 3.553 112.538 108.800 0.308 0.000 2.542 152 G HA2 0.679 4.639 3.960 0.000 0.000 0.311 152 G HA3 0.679 4.639 3.960 0.000 0.000 0.311 152 G C -1.696 173.449 174.900 0.408 0.000 1.298 152 G CA -0.445 44.788 45.100 0.221 0.000 0.973 152 G HN 0.716 nan 8.290 nan 0.000 0.487 153 F N 0.310 120.418 119.950 0.264 0.000 2.631 153 F HA 0.911 5.438 4.527 0.000 0.000 0.308 153 F C -0.588 174.964 175.800 -0.414 0.000 1.097 153 F CA -1.624 56.275 58.000 -0.169 0.000 0.952 153 F CB 1.788 40.408 39.000 -0.634 0.000 1.307 153 F HN 0.805 nan 8.300 nan 0.000 0.450 154 R N 0.817 120.941 120.500 -0.627 0.000 2.734 154 R HA 0.627 4.967 4.340 0.000 0.000 0.271 154 R C -2.394 173.454 176.300 -0.753 0.000 1.021 154 R CA -1.000 54.633 56.100 -0.778 0.000 0.893 154 R CB 1.592 31.083 30.300 -1.348 0.000 1.244 154 R HN 0.721 nan 8.270 nan 0.000 0.464 155 Y N 0.238 120.223 120.300 -0.526 0.000 2.361 155 Y HA 0.431 4.981 4.550 0.000 0.000 0.332 155 Y C -0.136 175.258 175.900 -0.844 0.000 1.101 155 Y CA -0.652 57.065 58.100 -0.639 0.000 1.137 155 Y CB 1.938 40.073 38.460 -0.543 0.000 1.207 155 Y HN 0.463 nan 8.280 nan 0.000 0.463 156 E N 2.520 122.272 120.200 -0.747 0.000 2.248 156 E HA 0.444 4.794 4.350 0.000 0.000 0.267 156 E C -1.774 174.399 176.600 -0.712 0.000 0.877 156 E CA -0.794 55.233 56.400 -0.621 0.000 0.759 156 E CB 1.774 31.258 29.700 -0.361 0.000 1.182 156 E HN 0.414 nan 8.360 nan 0.000 0.418 157 F N 2.562 122.530 119.950 0.029 0.000 2.359 157 F HA 0.336 4.863 4.527 0.000 0.000 0.369 157 F C -2.281 173.545 175.800 0.043 0.000 1.084 157 F CA -2.421 55.611 58.000 0.053 0.000 1.096 157 F CB 0.995 40.089 39.000 0.156 0.000 1.335 157 F HN 0.152 nan 8.300 nan 0.000 0.457 158 P HA -0.005 nan 4.420 nan 0.000 0.269 158 P C -0.555 176.804 177.300 0.098 0.000 1.215 158 P CA -0.387 62.763 63.100 0.083 0.000 0.780 158 P CB 0.641 32.369 31.700 0.047 0.000 0.898 159 Q N 2.500 122.341 119.800 0.068 0.000 2.311 159 Q HA 0.108 4.449 4.340 0.000 0.000 0.272 159 Q C -0.432 175.600 176.000 0.053 0.000 1.012 159 Q CA 0.236 56.072 55.803 0.054 0.000 0.891 159 Q CB 0.208 28.966 28.738 0.033 0.000 1.201 159 Q HN 0.412 nan 8.270 nan 0.000 0.391 160 Q N 1.900 121.732 119.800 0.054 0.000 2.630 160 Q HA 0.197 4.537 4.340 0.000 0.000 0.295 160 Q C -0.441 175.590 176.000 0.050 0.000 0.944 160 Q CA -1.006 54.829 55.803 0.054 0.000 0.766 160 Q CB 0.762 29.540 28.738 0.067 0.000 1.471 160 Q HN 0.564 nan 8.270 nan 0.000 0.416 161 K N 0.395 120.824 120.400 0.049 0.000 2.063 161 K HA -0.066 4.254 4.320 0.000 0.000 0.208 161 K C 0.724 177.350 176.600 0.045 0.000 1.048 161 K CA 2.148 58.462 56.287 0.046 0.000 0.928 161 K CB -0.046 32.480 32.500 0.043 0.000 0.713 161 K HN 0.556 nan 8.250 nan 0.000 0.442 162 S N 0.101 115.826 115.700 0.042 0.000 2.582 162 S HA 0.187 4.658 4.470 0.000 0.000 0.234 162 S C -0.707 173.898 174.600 0.009 0.000 0.961 162 S CA -0.432 57.783 58.200 0.025 0.000 0.953 162 S CB 0.374 63.583 63.200 0.015 0.000 0.800 162 S HN 0.236 nan 8.310 nan 0.000 0.471 163 L N 1.739 122.977 121.223 0.025 0.000 2.620 163 L HA 0.525 4.865 4.340 0.000 0.000 0.261 163 L C -0.522 176.389 176.870 0.069 0.000 0.978 163 L CA 0.122 54.967 54.840 0.009 0.000 0.897 163 L CB 0.802 42.838 42.059 -0.040 0.000 1.207 163 L HN -0.108 nan 8.230 nan 0.000 0.425 164 N N 2.398 121.162 118.700 0.106 0.000 3.420 164 N HA 0.199 4.940 4.740 0.000 0.000 0.211 164 N C -0.830 174.680 175.510 0.001 0.000 1.201 164 N CA 0.077 53.151 53.050 0.039 0.000 1.134 164 N CB 0.401 38.923 38.487 0.058 0.000 1.366 164 N HN 0.274 nan 8.380 nan 0.000 0.606 165 Y N 1.199 121.584 120.300 0.141 0.000 2.320 165 Y HA 0.409 4.959 4.550 0.000 0.000 0.334 165 Y C -0.391 175.607 175.900 0.165 0.000 1.055 165 Y CA -0.673 57.480 58.100 0.088 0.000 1.143 165 Y CB 0.624 39.111 38.460 0.046 0.000 1.193 165 Y HN 0.125 nan 8.280 nan 0.000 0.477 166 F N 0.049 120.002 119.950 0.005 0.000 2.668 166 F HA 0.815 5.342 4.527 0.000 0.000 0.309 166 F C -2.149 173.523 175.800 -0.213 0.000 1.117 166 F CA -1.567 56.369 58.000 -0.106 0.000 0.951 166 F CB 0.595 39.500 39.000 -0.159 0.000 1.323 166 F HN 0.071 nan 8.300 nan 0.000 0.451 167 V N 3.118 122.941 119.914 -0.151 0.000 2.495 167 V HA 0.451 4.571 4.120 0.000 0.000 0.298 167 V C -0.030 175.943 176.094 -0.201 0.000 1.031 167 V CA -0.798 61.247 62.300 -0.426 0.000 0.871 167 V CB 1.793 33.248 31.823 -0.613 0.000 0.988 167 V HN 0.737 nan 8.190 nan 0.000 0.432 168 I N 4.037 124.454 120.570 -0.256 0.000 2.371 168 I HA 0.258 4.428 4.170 0.000 0.000 0.290 168 I C 1.242 177.249 176.117 -0.183 0.000 1.028 168 I CA 0.050 61.257 61.300 -0.155 0.000 1.345 168 I CB 1.147 39.031 38.000 -0.193 0.000 1.407 168 I HN 0.725 nan 8.210 nan 0.000 0.501 169 K N 4.664 124.984 120.400 -0.133 0.000 2.099 169 K HA 0.133 4.453 4.320 0.000 0.000 0.203 169 K C 0.060 176.535 176.600 -0.208 0.000 1.047 169 K CA 0.974 57.176 56.287 -0.142 0.000 0.963 169 K CB 0.558 33.012 32.500 -0.077 0.000 0.759 169 K HN 0.524 nan 8.250 nan 0.000 0.451 170 E N 0.489 120.545 120.200 -0.241 0.000 2.363 170 E HA 0.084 4.434 4.350 0.000 0.000 0.281 170 E C -1.775 174.557 176.600 -0.447 0.000 0.953 170 E CA -0.476 55.684 56.400 -0.401 0.000 0.778 170 E CB 1.929 31.306 29.700 -0.539 0.000 1.220 170 E HN 0.235 nan 8.360 nan 0.000 0.431 171 E N 1.809 121.801 120.200 -0.346 0.000 2.216 171 E HA 0.217 4.567 4.350 0.000 0.000 0.279 171 E C -0.652 175.800 176.600 -0.247 0.000 0.997 171 E CA -0.381 55.907 56.400 -0.186 0.000 0.817 171 E CB 0.620 30.351 29.700 0.051 0.000 1.096 171 E HN 0.368 nan 8.360 nan 0.000 0.393 172 H N 2.716 121.859 119.070 0.122 0.000 2.412 172 H HA 0.240 4.796 4.556 0.000 0.000 0.239 172 H C -0.876 174.582 175.328 0.216 0.000 1.388 172 H CA -0.365 55.769 56.048 0.144 0.000 1.148 172 H CB 0.457 30.264 29.762 0.075 0.000 1.637 172 H HN 0.182 nan 8.280 nan 0.000 0.542 173 S N 1.935 117.851 115.700 0.360 0.000 2.430 173 S HA 0.212 4.682 4.470 0.000 0.000 0.289 173 S C 0.556 175.245 174.600 0.149 0.000 1.143 173 S CA -0.499 57.894 58.200 0.321 0.000 1.067 173 S CB 1.236 64.718 63.200 0.470 0.000 0.964 173 S HN 0.460 nan 8.310 nan 0.000 0.485 174 Q N 1.755 121.584 119.800 0.048 0.000 2.214 174 Q HA 0.498 4.838 4.340 0.000 0.000 0.251 174 Q C -1.263 174.615 176.000 -0.204 0.000 0.936 174 Q CA -0.319 55.516 55.803 0.053 0.000 0.894 174 Q CB 1.162 29.968 28.738 0.112 0.000 1.252 174 Q HN 0.603 nan 8.270 nan 0.000 0.448 175 F N 0.108 120.293 119.950 0.391 0.000 2.824 175 F HA 0.312 4.839 4.527 0.000 0.000 0.375 175 F C 0.466 176.438 175.800 0.286 0.000 1.190 175 F CA -0.774 57.458 58.000 0.386 0.000 1.180 175 F CB 1.315 40.584 39.000 0.447 0.000 1.477 175 F HN 0.573 nan 8.300 nan 0.000 0.542 176 G N 4.104 113.048 108.800 0.241 0.000 2.358 176 G HA2 0.425 4.385 3.960 0.000 0.000 0.273 176 G HA3 0.425 4.385 3.960 0.000 0.000 0.273 176 G C 0.025 175.021 174.900 0.159 0.000 1.215 176 G CA -0.542 44.645 45.100 0.144 0.000 0.910 176 G HN 0.251 nan 8.290 nan 0.000 0.467 177 M N 1.786 121.464 119.600 0.130 0.000 2.250 177 M HA 0.134 4.614 4.480 0.000 0.000 0.344 177 M C 1.225 177.528 176.300 0.006 0.000 1.150 177 M CA -0.336 55.025 55.300 0.101 0.000 1.147 177 M CB 1.119 33.691 32.600 -0.047 0.000 1.498 177 M HN 0.680 nan 8.290 nan 0.000 0.461 178 N N -0.281 118.463 118.700 0.073 0.000 2.398 178 N HA 0.146 4.886 4.740 0.000 0.000 0.188 178 N C 0.149 175.658 175.510 -0.002 0.000 1.122 178 N CA -0.120 52.967 53.050 0.062 0.000 0.866 178 N CB 0.671 39.242 38.487 0.140 0.000 0.970 178 N HN 0.827 nan 8.380 nan 0.000 0.462 179 G N -0.251 108.415 108.800 -0.222 0.000 2.495 179 G HA2 -0.007 3.953 3.960 0.000 0.000 0.294 179 G HA3 -0.007 3.953 3.960 0.000 0.000 0.294 179 G C -1.857 172.773 174.900 -0.449 0.000 1.397 179 G CA -0.588 44.378 45.100 -0.224 0.000 0.790 179 G HN 0.059 nan 8.290 nan 0.000 0.486 180 D N 0.339 120.624 120.400 -0.193 0.000 2.608 180 D HA 0.245 4.886 4.640 0.000 0.000 0.224 180 D C 0.762 177.043 176.300 -0.031 0.000 1.123 180 D CA -0.110 53.803 54.000 -0.146 0.000 1.030 180 D CB -0.973 39.780 40.800 -0.078 0.000 1.093 180 D HN 0.408 nan 8.370 nan 0.000 0.497 181 H N 0.821 119.893 119.070 0.004 0.000 2.730 181 H HA 0.183 4.740 4.556 0.000 0.000 0.376 181 H C 0.654 175.976 175.328 -0.011 0.000 1.299 181 H CA -0.623 55.429 56.048 0.006 0.000 1.447 181 H CB 1.170 30.959 29.762 0.046 0.000 1.493 181 H HN 0.218 nan 8.280 nan 0.000 0.619 182 I N 1.089 121.721 120.570 0.103 0.000 2.365 182 I HA 0.338 4.508 4.170 0.000 0.000 0.291 182 I C 0.120 176.199 176.117 -0.063 0.000 1.004 182 I CA -0.276 60.996 61.300 -0.047 0.000 1.311 182 I CB 1.023 38.938 38.000 -0.141 0.000 1.401 182 I HN 0.569 nan 8.210 nan 0.000 0.491 183 A N 6.470 129.233 122.820 -0.095 0.000 2.380 183 A HA 0.810 5.130 4.320 0.000 0.000 0.315 183 A C -1.216 176.293 177.584 -0.126 0.000 1.101 183 A CA -0.414 51.655 52.037 0.054 0.000 0.771 183 A CB 0.881 20.039 19.000 0.264 0.000 1.287 183 A HN 0.538 nan 8.150 nan 0.000 0.436 184 F N 3.226 123.309 119.950 0.223 0.000 2.366 184 F HA 0.527 5.055 4.527 0.000 0.000 0.366 184 F C 0.020 176.044 175.800 0.372 0.000 1.096 184 F CA -0.320 57.753 58.000 0.121 0.000 1.060 184 F CB 0.937 39.864 39.000 -0.122 0.000 1.282 184 F HN 0.725 nan 8.300 nan 0.000 0.450 185 W N 4.779 126.293 121.300 0.358 0.000 3.029 185 W HA 0.859 5.519 4.660 0.000 0.000 0.339 185 W C -1.747 174.789 176.519 0.028 0.000 1.198 185 W CA -1.782 55.710 57.345 0.245 0.000 1.148 185 W CB 1.053 30.577 29.460 0.107 0.000 1.451 185 W HN 0.362 nan 8.180 nan 0.000 0.564 186 I N -1.180 119.480 120.570 0.149 0.000 2.730 186 I HA 0.579 4.749 4.170 0.000 0.000 0.298 186 I C -2.766 173.476 176.117 0.208 0.000 1.089 186 I CA -3.094 58.157 61.300 -0.082 0.000 1.041 186 I CB 2.055 39.905 38.000 -0.250 0.000 1.235 186 I HN -0.090 nan 8.210 nan 0.000 0.423 187 P HA 0.057 nan 4.420 nan 0.000 0.262 187 P C 0.189 177.442 177.300 -0.079 0.000 1.182 187 P CA 0.257 63.301 63.100 -0.093 0.000 0.761 187 P CB 0.377 31.791 31.700 -0.477 0.000 0.795 188 G N 2.847 111.485 108.800 -0.270 0.000 2.340 188 G HA2 0.233 4.193 3.960 0.000 0.000 0.245 188 G HA3 0.233 4.193 3.960 0.000 0.000 0.245 188 G C -0.568 174.116 174.900 -0.359 0.000 1.294 188 G CA 0.157 45.070 45.100 -0.311 0.000 0.896 188 G HN 0.493 nan 8.290 nan 0.000 0.522 189 D N 1.351 121.691 120.400 -0.100 0.000 2.886 189 D HA 0.118 4.758 4.640 0.000 0.000 0.216 189 D C -0.262 176.134 176.300 0.161 0.000 1.256 189 D CA -0.581 53.401 54.000 -0.030 0.000 0.844 189 D CB 1.301 42.240 40.800 0.231 0.000 1.669 189 D HN 0.238 nan 8.370 nan 0.000 0.513 190 Y N 0.889 121.252 120.300 0.105 0.000 2.546 190 Y HA 0.173 4.724 4.550 0.000 0.000 0.287 190 Y C 1.546 177.340 175.900 -0.176 0.000 1.158 190 Y CA 0.185 58.340 58.100 0.091 0.000 1.307 190 Y CB 0.344 38.630 38.460 -0.289 0.000 1.036 190 Y HN 0.334 nan 8.280 nan 0.000 0.532 191 D N -2.039 118.360 120.400 -0.001 0.000 2.448 191 D HA 0.087 4.727 4.640 0.000 0.000 0.256 191 D C 0.318 176.449 176.300 -0.282 0.000 1.108 191 D CA 0.568 54.448 54.000 -0.200 0.000 0.848 191 D CB 1.132 42.013 40.800 0.135 0.000 1.281 191 D HN 0.101 nan 8.370 nan 0.000 0.509 192 T N -0.272 114.322 114.554 0.067 0.000 2.894 192 T HA 0.345 4.695 4.350 0.000 0.000 0.309 192 T C -0.997 173.779 174.700 0.127 0.000 1.208 192 T CA -0.298 61.837 62.100 0.059 0.000 1.016 192 T CB 1.837 70.595 68.868 -0.184 0.000 1.192 192 T HN -0.298 nan 8.240 nan 0.000 0.491 193 Q N 0.952 120.776 119.800 0.040 0.000 2.118 193 Q HA 0.296 4.636 4.340 0.000 0.000 0.219 193 Q C 0.143 176.056 176.000 -0.145 0.000 0.794 193 Q CA -0.144 55.669 55.803 0.016 0.000 1.035 193 Q CB 0.862 29.651 28.738 0.085 0.000 1.177 193 Q HN 0.664 nan 8.270 nan 0.000 0.478 194 E N 0.725 120.723 120.200 -0.337 0.000 2.424 194 E HA 0.035 4.385 4.350 0.000 0.000 0.237 194 E C -0.890 175.366 176.600 -0.573 0.000 1.381 194 E CA 0.016 56.174 56.400 -0.403 0.000 1.587 194 E CB -0.031 29.483 29.700 -0.309 0.000 1.398 194 E HN 0.250 nan 8.360 nan 0.000 0.439 195 Y N 0.179 120.351 120.300 -0.213 0.000 2.457 195 Y HA 0.195 4.745 4.550 0.000 0.000 0.333 195 Y C 0.883 176.628 175.900 -0.259 0.000 1.119 195 Y CA -1.386 56.571 58.100 -0.238 0.000 1.143 195 Y CB 0.792 39.131 38.460 -0.202 0.000 1.230 195 Y HN -0.043 nan 8.280 nan 0.000 0.469 196 D N 0.560 120.932 120.400 -0.047 0.000 2.339 196 D HA 0.062 4.703 4.640 0.000 0.000 0.245 196 D C -0.723 175.533 176.300 -0.073 0.000 1.115 196 D CA 0.178 54.140 54.000 -0.063 0.000 0.917 196 D CB 0.613 41.367 40.800 -0.077 0.000 1.192 196 D HN 0.404 nan 8.370 nan 0.000 0.428 197 Y N 0.133 120.505 120.300 0.119 0.000 2.314 197 Y HA 0.170 4.720 4.550 0.000 0.000 0.334 197 Y C 1.086 176.907 175.900 -0.131 0.000 1.266 197 Y CA 0.245 58.349 58.100 0.006 0.000 1.391 197 Y CB 1.021 39.559 38.460 0.130 0.000 1.306 197 Y HN 0.046 nan 8.280 nan 0.000 0.558 198 T N 3.835 118.155 114.554 -0.391 0.000 2.841 198 T HA 0.549 4.899 4.350 0.000 0.000 0.283 198 T C -0.698 173.717 174.700 -0.474 0.000 1.000 198 T CA -0.647 61.124 62.100 -0.548 0.000 0.977 198 T CB 0.666 68.825 68.868 -1.182 0.000 0.979 198 T HN 0.323 nan 8.240 nan 0.000 0.446 199 I N 3.637 124.072 120.570 -0.226 0.000 2.354 199 I HA 0.541 4.711 4.170 0.000 0.000 0.286 199 I C 0.257 176.307 176.117 -0.111 0.000 1.007 199 I CA -0.322 60.796 61.300 -0.303 0.000 1.167 199 I CB 0.976 38.756 38.000 -0.367 0.000 1.320 199 I HN 0.736 nan 8.210 nan 0.000 0.458 200 S N 5.900 121.607 115.700 0.011 0.000 2.643 200 S HA 0.587 5.057 4.470 0.000 0.000 0.270 200 S C -0.717 173.924 174.600 0.068 0.000 1.166 200 S CA -1.233 57.027 58.200 0.099 0.000 0.815 200 S CB 2.033 65.393 63.200 0.267 0.000 1.139 200 S HN 0.377 nan 8.310 nan 0.000 0.472 201 R N 0.489 121.010 120.500 0.036 0.000 2.679 201 R HA 0.361 4.701 4.340 0.000 0.000 0.269 201 R C 1.348 177.640 176.300 -0.014 0.000 1.076 201 R CA -0.422 55.683 56.100 0.007 0.000 1.160 201 R CB -0.209 30.087 30.300 -0.006 0.000 1.054 201 R HN 0.773 nan 8.270 nan 0.000 0.507 202 L N 0.848 122.046 121.223 -0.041 0.000 2.083 202 L HA -0.215 4.125 4.340 0.000 0.000 0.209 202 L C 2.206 178.984 176.870 -0.154 0.000 1.083 202 L CA 1.837 56.608 54.840 -0.114 0.000 0.752 202 L CB -0.524 41.451 42.059 -0.139 0.000 0.899 202 L HN 0.673 nan 8.230 nan 0.000 0.433 203 S N -1.002 114.632 115.700 -0.110 0.000 2.515 203 S HA -0.119 4.351 4.470 0.000 0.000 0.231 203 S C 1.416 175.969 174.600 -0.079 0.000 0.987 203 S CA 0.700 58.840 58.200 -0.100 0.000 0.936 203 S CB -0.211 62.944 63.200 -0.074 0.000 0.766 203 S HN 0.537 nan 8.310 nan 0.000 0.528 204 E N 0.425 120.590 120.200 -0.058 0.000 2.476 204 E HA 0.297 4.647 4.350 0.000 0.000 0.199 204 E C 1.417 178.005 176.600 -0.020 0.000 1.021 204 E CA -0.065 56.325 56.400 -0.016 0.000 0.907 204 E CB -0.072 29.649 29.700 0.035 0.000 0.974 204 E HN 0.523 nan 8.360 nan 0.000 0.489 205 I N 1.368 121.848 120.570 -0.149 0.000 2.163 205 I HA -0.311 3.859 4.170 0.000 0.000 0.243 205 I C 2.704 178.675 176.117 -0.243 0.000 1.085 205 I CA 1.221 62.305 61.300 -0.361 0.000 1.347 205 I CB -0.249 37.290 38.000 -0.768 0.000 1.044 205 I HN 0.074 nan 8.210 nan 0.000 0.408 206 R N 1.171 121.553 120.500 -0.196 0.000 2.096 206 R HA -0.182 4.158 4.340 0.000 0.000 0.240 206 R C 2.206 178.463 176.300 -0.073 0.000 1.139 206 R CA 1.934 57.949 56.100 -0.141 0.000 0.952 206 R CB -0.560 29.670 30.300 -0.117 0.000 0.854 206 R HN 0.434 nan 8.270 nan 0.000 0.436 207 G N -0.218 108.559 108.800 -0.038 0.000 2.650 207 G HA2 -0.062 3.898 3.960 0.000 0.000 0.214 207 G HA3 -0.062 3.898 3.960 0.000 0.000 0.214 207 G C 1.209 176.127 174.900 0.030 0.000 1.136 207 G CA 0.123 45.219 45.100 -0.006 0.000 0.789 207 G HN 0.266 nan 8.290 nan 0.000 0.536 208 L N -0.710 120.560 121.223 0.077 0.000 2.590 208 L HA 0.290 4.630 4.340 0.000 0.000 0.227 208 L C 2.419 179.402 176.870 0.188 0.000 1.099 208 L CA -0.158 54.775 54.840 0.154 0.000 0.872 208 L CB -0.013 42.217 42.059 0.286 0.000 1.088 208 L HN 0.130 nan 8.230 nan 0.000 0.479 209 M N 1.017 120.698 119.600 0.134 0.000 2.082 209 M HA -0.269 4.211 4.480 0.000 0.000 0.258 209 M C 2.228 178.528 176.300 0.000 0.000 1.069 209 M CA 1.956 57.306 55.300 0.084 0.000 1.102 209 M CB -0.363 32.193 32.600 -0.074 0.000 1.336 209 M HN 0.066 nan 8.290 nan 0.000 0.404 210 K N -0.551 119.838 120.400 -0.018 0.000 2.020 210 K HA -0.219 4.101 4.320 0.000 0.000 0.212 210 K C 1.693 178.276 176.600 -0.030 0.000 1.050 210 K CA 1.847 58.115 56.287 -0.032 0.000 0.929 210 K CB -0.199 32.289 32.500 -0.020 0.000 0.714 210 K HN 0.339 nan 8.250 nan 0.000 0.443 211 E N -0.227 119.966 120.200 -0.012 0.000 2.285 211 E HA -0.072 4.278 4.350 0.000 0.000 0.194 211 E C 1.682 178.250 176.600 -0.053 0.000 0.997 211 E CA 0.822 57.211 56.400 -0.019 0.000 0.845 211 E CB 0.116 29.814 29.700 -0.003 0.000 0.782 211 E HN 0.447 nan 8.360 nan 0.000 0.491 212 A N 0.830 123.604 122.820 -0.076 0.000 2.067 212 A HA 0.018 4.338 4.320 0.000 0.000 0.217 212 A C 1.408 178.812 177.584 -0.301 0.000 1.156 212 A CA 0.139 52.064 52.037 -0.187 0.000 0.683 212 A CB -0.150 18.729 19.000 -0.203 0.000 0.808 212 A HN 0.096 nan 8.150 nan 0.000 0.455 213 I N 2.642 123.059 120.570 -0.255 0.000 2.278 213 I HA 0.107 4.278 4.170 0.000 0.000 0.296 213 I C 0.487 176.574 176.117 -0.051 0.000 1.121 213 I CA -0.290 60.822 61.300 -0.312 0.000 1.267 213 I CB 0.482 38.352 38.000 -0.217 0.000 1.447 213 I HN 0.240 nan 8.210 nan 0.000 0.509 214 T N 3.540 118.149 114.554 0.091 0.000 2.902 214 T HA 0.464 4.814 4.350 0.000 0.000 0.280 214 T C -2.475 172.358 174.700 0.222 0.000 0.992 214 T CA -2.181 60.013 62.100 0.157 0.000 1.015 214 T CB 1.073 70.038 68.868 0.162 0.000 1.044 214 T HN 0.131 nan 8.240 nan 0.000 0.520 215 P HA 0.227 nan 4.420 nan 0.000 0.264 215 P C -0.479 176.914 177.300 0.155 0.000 1.193 215 P CA -0.102 63.079 63.100 0.136 0.000 0.763 215 P CB 0.285 32.044 31.700 0.099 0.000 0.810 216 N N 0.828 119.606 118.700 0.129 0.000 2.396 216 N HA 0.071 4.811 4.740 0.000 0.000 0.275 216 N C 0.937 176.504 175.510 0.095 0.000 1.218 216 N CA -0.339 52.783 53.050 0.120 0.000 0.812 216 N CB 1.649 40.161 38.487 0.042 0.000 1.592 216 N HN 0.224 nan 8.380 nan 0.000 0.480 217 S N 0.819 116.588 115.700 0.114 0.000 2.402 217 S HA -0.094 4.376 4.470 0.000 0.000 0.233 217 S C 0.800 175.397 174.600 -0.005 0.000 1.030 217 S CA 0.915 59.137 58.200 0.036 0.000 1.003 217 S CB -0.131 63.100 63.200 0.052 0.000 0.813 217 S HN 0.489 nan 8.310 nan 0.000 0.477 218 S N 1.288 117.012 115.700 0.040 0.000 2.750 218 S HA 0.473 4.943 4.470 0.000 0.000 0.276 218 S C -1.417 173.216 174.600 0.055 0.000 1.165 218 S CA -0.823 57.418 58.200 0.068 0.000 1.047 218 S CB 0.977 64.270 63.200 0.156 0.000 1.056 218 S HN 0.645 nan 8.310 nan 0.000 0.481 219 Q N 1.967 121.820 119.800 0.088 0.000 2.340 219 Q HA 0.622 4.963 4.340 0.000 0.000 0.276 219 Q C -1.604 174.458 176.000 0.103 0.000 1.048 219 Q CA -1.048 54.813 55.803 0.097 0.000 0.832 219 Q CB 1.803 30.617 28.738 0.127 0.000 1.373 219 Q HN 0.365 nan 8.270 nan 0.000 0.409 220 T N 2.813 117.406 114.554 0.065 0.000 3.198 220 T HA 0.377 4.728 4.350 0.000 0.000 0.352 220 T C -2.738 171.827 174.700 -0.225 0.000 1.197 220 T CA -0.992 61.098 62.100 -0.016 0.000 1.427 220 T CB 0.994 69.889 68.868 0.045 0.000 0.983 220 T HN 0.391 nan 8.240 nan 0.000 0.560 221 P HA 0.279 nan 4.420 nan 0.000 0.272 221 P C 0.163 177.232 177.300 -0.384 0.000 1.223 221 P CA -0.526 62.377 63.100 -0.328 0.000 0.784 221 P CB 0.399 31.953 31.700 -0.243 0.000 0.923 222 F N -1.033 118.598 119.950 -0.533 0.000 2.784 222 F HA 0.512 5.039 4.527 0.000 0.000 0.323 222 F C 0.229 175.769 175.800 -0.433 0.000 1.085 222 F CA -0.357 57.349 58.000 -0.491 0.000 1.196 222 F CB 0.202 38.800 39.000 -0.669 0.000 1.053 222 F HN 0.234 nan 8.300 nan 0.000 0.578 223 S N -0.039 115.191 115.700 -0.783 0.000 2.537 223 S HA 0.249 4.719 4.470 0.000 0.000 0.271 223 S C 0.109 174.440 174.600 -0.448 0.000 1.148 223 S CA -0.504 57.388 58.200 -0.513 0.000 0.868 223 S CB 1.479 64.351 63.200 -0.546 0.000 1.115 223 S HN 0.124 nan 8.310 nan 0.000 0.461 224 Q N 1.476 121.116 119.800 -0.267 0.000 2.364 224 Q HA -0.000 4.340 4.340 0.000 0.000 0.207 224 Q C 1.247 177.087 176.000 -0.267 0.000 0.970 224 Q CA 1.692 57.362 55.803 -0.223 0.000 0.888 224 Q CB -0.182 28.472 28.738 -0.139 0.000 0.951 224 Q HN 0.863 nan 8.270 nan 0.000 0.469 225 T N -3.807 110.573 114.554 -0.290 0.000 3.339 225 T HA 0.434 4.784 4.350 0.000 0.000 0.292 225 T C 0.460 174.989 174.700 -0.285 0.000 1.012 225 T CA -0.171 61.754 62.100 -0.292 0.000 0.937 225 T CB 0.438 69.184 68.868 -0.204 0.000 1.164 225 T HN 0.076 nan 8.240 nan 0.000 0.509 226 G N 1.455 109.977 108.800 -0.463 0.000 2.356 226 G HA2 0.611 4.571 3.960 0.000 0.000 0.298 226 G HA3 0.611 4.571 3.960 0.000 0.000 0.298 226 G C -0.371 174.305 174.900 -0.372 0.000 1.145 226 G CA -0.520 44.258 45.100 -0.536 0.000 0.850 226 G HN 0.852 nan 8.290 nan 0.000 0.487 227 V N -0.112 119.781 119.914 -0.035 0.000 3.102 227 V HA 0.644 4.764 4.120 0.000 0.000 0.312 227 V C -0.420 175.821 176.094 0.245 0.000 1.135 227 V CA -1.297 61.056 62.300 0.088 0.000 1.022 227 V CB 1.637 33.530 31.823 0.116 0.000 1.056 227 V HN 0.721 nan 8.190 nan 0.000 0.436 228 Q N 1.222 121.185 119.800 0.271 0.000 2.260 228 Q HA 0.494 4.835 4.340 0.000 0.000 0.242 228 Q C 0.268 176.401 176.000 0.222 0.000 0.932 228 Q CA -0.185 55.828 55.803 0.350 0.000 0.891 228 Q CB 1.658 30.592 28.738 0.327 0.000 1.222 228 Q HN 1.038 nan 8.270 nan 0.000 0.453 229 T N -1.868 112.804 114.554 0.197 0.000 2.868 229 T HA 0.496 4.846 4.350 0.000 0.000 0.292 229 T C 0.259 174.987 174.700 0.046 0.000 1.028 229 T CA 0.095 62.268 62.100 0.123 0.000 1.059 229 T CB 0.985 69.967 68.868 0.190 0.000 0.991 229 T HN 0.928 nan 8.240 nan 0.000 0.531 230 A N 1.027 123.783 122.820 -0.108 0.000 3.630 230 A HA 0.066 4.386 4.320 0.000 0.000 0.242 230 A C -0.351 177.173 177.584 -0.099 0.000 1.288 230 A CA -0.021 51.759 52.037 -0.429 0.000 0.791 230 A CB -2.416 16.234 19.000 -0.583 0.000 0.997 230 A HN 1.412 nan 8.150 nan 0.000 0.505 231 L N 0.675 121.860 121.223 -0.064 0.000 2.275 231 L HA 0.920 5.260 4.340 0.000 0.000 0.288 231 L C -0.026 176.851 176.870 0.012 0.000 1.046 231 L CA -0.525 54.320 54.840 0.008 0.000 0.805 231 L CB 1.267 43.252 42.059 -0.124 0.000 1.193 231 L HN 0.665 nan 8.230 nan 0.000 0.426 232 M N 6.016 125.683 119.600 0.112 0.000 2.336 232 M HA 0.664 5.144 4.480 0.000 0.000 0.342 232 M C -1.203 175.272 176.300 0.290 0.000 1.128 232 M CA 0.052 55.414 55.300 0.102 0.000 1.016 232 M CB 1.393 33.957 32.600 -0.060 0.000 1.665 232 M HN 0.660 nan 8.290 nan 0.000 0.445 233 M N 3.151 122.873 119.600 0.204 0.000 2.593 233 M HA 0.492 4.972 4.480 0.000 0.000 0.290 233 M C -1.245 175.117 176.300 0.103 0.000 1.244 233 M CA -0.794 54.638 55.300 0.220 0.000 0.857 233 M CB 2.819 35.521 32.600 0.171 0.000 1.738 233 M HN 0.579 nan 8.290 nan 0.000 0.461 234 K N 1.518 121.942 120.400 0.040 0.000 2.507 234 K HA 0.533 4.853 4.320 0.000 0.000 0.252 234 K C -0.935 175.509 176.600 -0.260 0.000 0.943 234 K CA -0.382 55.779 56.287 -0.210 0.000 0.808 234 K CB 1.742 34.191 32.500 -0.085 0.000 1.142 234 K HN 0.810 nan 8.250 nan 0.000 0.426 235 T N 0.044 114.349 114.554 -0.415 0.000 2.918 235 T HA 0.198 4.548 4.350 0.000 0.000 0.283 235 T C 0.652 175.255 174.700 -0.162 0.000 1.001 235 T CA -0.577 61.318 62.100 -0.342 0.000 1.041 235 T CB 1.102 69.681 68.868 -0.481 0.000 1.028 235 T HN 0.476 nan 8.240 nan 0.000 0.511 236 D N 0.750 121.131 120.400 -0.032 0.000 2.264 236 D HA -0.066 4.574 4.640 0.000 0.000 0.208 236 D C 1.192 177.476 176.300 -0.027 0.000 0.966 236 D CA 0.999 54.990 54.000 -0.016 0.000 0.864 236 D CB -0.080 40.736 40.800 0.027 0.000 0.933 236 D HN 0.837 nan 8.370 nan 0.000 0.499 237 D N -0.777 119.605 120.400 -0.029 0.000 2.460 237 D HA 0.171 4.811 4.640 0.000 0.000 0.229 237 D C 1.211 177.491 176.300 -0.033 0.000 1.170 237 D CA 0.014 54.006 54.000 -0.013 0.000 0.827 237 D CB -0.260 40.551 40.800 0.018 0.000 0.973 237 D HN 0.134 nan 8.370 nan 0.000 0.496 238 G N 0.352 109.096 108.800 -0.094 0.000 2.147 238 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 238 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 238 G C -0.051 174.736 174.900 -0.188 0.000 1.005 238 G CA 0.270 45.296 45.100 -0.124 0.000 0.713 238 G HN 0.434 nan 8.290 nan 0.000 0.515 239 L N -0.932 120.132 121.223 -0.266 0.000 2.334 239 L HA 0.715 5.055 4.340 0.000 0.000 0.272 239 L C -0.119 176.455 176.870 -0.493 0.000 1.020 239 L CA -1.396 53.289 54.840 -0.258 0.000 0.812 239 L CB 1.353 43.322 42.059 -0.151 0.000 1.264 239 L HN 0.058 nan 8.230 nan 0.000 0.439 240 Y N 2.175 122.378 120.300 -0.163 0.000 2.328 240 Y HA 0.565 5.116 4.550 0.000 0.000 0.336 240 Y C -0.126 175.677 175.900 -0.161 0.000 0.960 240 Y CA -0.404 57.597 58.100 -0.165 0.000 1.134 240 Y CB 1.596 39.951 38.460 -0.175 0.000 1.166 240 Y HN 0.279 nan 8.280 nan 0.000 0.464 241 I N 3.783 124.345 120.570 -0.013 0.000 2.465 241 I HA 0.328 4.498 4.170 0.000 0.000 0.291 241 I C -0.784 175.339 176.117 0.008 0.000 1.014 241 I CA -0.841 60.453 61.300 -0.010 0.000 1.093 241 I CB 1.860 39.858 38.000 -0.002 0.000 1.267 241 I HN 0.577 nan 8.210 nan 0.000 0.431 242 N N 7.608 126.306 118.700 -0.005 0.000 2.354 242 N HA 0.504 5.245 4.740 0.000 0.000 0.287 242 N C -1.705 173.781 175.510 -0.041 0.000 1.016 242 N CA -0.414 52.620 53.050 -0.026 0.000 0.871 242 N CB 1.844 40.312 38.487 -0.031 0.000 1.299 242 N HN 0.538 nan 8.380 nan 0.000 0.482 243 L N 3.177 124.339 121.223 -0.101 0.000 2.313 243 L HA 0.473 4.814 4.340 0.000 0.000 0.283 243 L C -0.296 176.523 176.870 -0.085 0.000 1.013 243 L CA -0.606 54.118 54.840 -0.192 0.000 0.816 243 L CB 1.399 43.197 42.059 -0.435 0.000 1.236 243 L HN 0.634 nan 8.230 nan 0.000 0.419 244 H N 1.821 120.780 119.070 -0.185 0.000 3.054 244 H HA 0.506 5.062 4.556 0.000 0.000 0.271 244 H C -1.603 173.673 175.328 -0.086 0.000 1.551 244 H CA -0.780 55.201 56.048 -0.112 0.000 1.196 244 H CB 1.625 31.342 29.762 -0.074 0.000 1.867 244 H HN 0.652 nan 8.280 nan 0.000 0.637 245 E N 0.669 120.591 120.200 -0.463 0.000 2.416 245 E HA 0.787 5.137 4.350 0.000 0.000 0.273 245 E C -1.623 174.717 176.600 -0.433 0.000 0.935 245 E CA -1.467 54.737 56.400 -0.326 0.000 0.784 245 E CB 2.915 32.513 29.700 -0.170 0.000 1.301 245 E HN 0.655 nan 8.360 nan 0.000 0.454 246 A N 0.857 123.576 122.820 -0.168 0.000 2.449 246 A HA 0.729 5.049 4.320 0.000 0.000 0.302 246 A C -0.155 177.447 177.584 0.030 0.000 1.048 246 A CA -0.361 51.614 52.037 -0.103 0.000 0.708 246 A CB 1.402 20.335 19.000 -0.111 0.000 1.274 246 A HN 1.820 nan 8.150 nan 0.000 0.410 247 A N 0.306 123.138 122.820 0.020 0.000 2.734 247 A HA -0.082 4.238 4.320 0.000 0.000 0.296 247 A C -0.002 177.613 177.584 0.052 0.000 1.474 247 A CA 0.651 52.727 52.037 0.064 0.000 0.735 247 A CB -2.225 16.857 19.000 0.137 0.000 1.062 247 A HN 2.115 nan 8.150 nan 0.000 0.463 248 L N 0.876 122.129 121.223 0.049 0.000 2.462 248 L HA 0.544 4.884 4.340 0.000 0.000 0.283 248 L C -0.136 176.808 176.870 0.123 0.000 1.166 248 L CA 0.369 55.258 54.840 0.082 0.000 0.964 248 L CB 0.403 42.516 42.059 0.091 0.000 1.294 248 L HN 0.493 nan 8.230 nan 0.000 0.449 249 V N 3.670 123.654 119.914 0.117 0.000 2.709 249 V HA 0.380 4.500 4.120 0.000 0.000 0.308 249 V C -0.380 175.802 176.094 0.147 0.000 1.062 249 V CA -0.925 61.452 62.300 0.128 0.000 0.901 249 V CB 1.784 33.673 31.823 0.110 0.000 1.003 249 V HN 0.594 nan 8.190 nan 0.000 0.425 250 D N 2.411 122.895 120.400 0.140 0.000 2.697 250 D HA -0.227 4.413 4.640 0.000 0.000 0.235 250 D C -0.851 175.596 176.300 0.244 0.000 1.167 250 D CA 1.377 55.460 54.000 0.138 0.000 0.656 250 D CB -0.788 40.073 40.800 0.102 0.000 1.025 250 D HN 0.599 nan 8.370 nan 0.000 0.419 251 Y N -1.238 119.095 120.300 0.056 0.000 2.702 251 Y HA 0.334 4.884 4.550 0.000 0.000 0.336 251 Y C -0.604 175.346 175.900 0.083 0.000 1.203 251 Y CA -0.773 57.360 58.100 0.055 0.000 1.072 251 Y CB 1.214 39.704 38.460 0.051 0.000 1.327 251 Y HN -0.132 nan 8.280 nan 0.000 0.456 252 S N 1.566 117.199 115.700 -0.113 0.000 2.586 252 S HA 0.313 4.783 4.470 0.000 0.000 0.274 252 S C -0.320 174.376 174.600 0.160 0.000 1.281 252 S CA -0.469 57.741 58.200 0.016 0.000 1.035 252 S CB 0.280 63.413 63.200 -0.112 0.000 0.962 252 S HN 0.815 nan 8.310 nan 0.000 0.512 253 C N 7.085 126.500 119.300 0.190 0.000 2.642 253 C HA 0.306 4.766 4.460 0.000 0.000 0.420 253 C C 0.544 175.546 174.990 0.021 0.000 1.349 253 C CA -0.337 58.757 59.018 0.127 0.000 1.821 253 C CB -1.219 26.611 27.740 0.151 0.000 2.637 253 C HN 0.897 nan 8.230 nan 0.000 0.605 254 M N 5.699 125.297 119.600 -0.002 0.000 2.209 254 M HA 0.406 4.886 4.480 0.000 0.000 0.355 254 M C -0.642 175.592 176.300 -0.111 0.000 1.171 254 M CA 0.144 55.470 55.300 0.043 0.000 1.069 254 M CB 0.470 33.168 32.600 0.163 0.000 1.622 254 M HN 0.935 nan 8.290 nan 0.000 0.459 255 H N 3.026 122.299 119.070 0.338 0.000 2.771 255 H HA 0.705 5.261 4.556 0.000 0.000 0.344 255 H C -1.240 174.324 175.328 0.393 0.000 1.260 255 H CA -0.689 55.582 56.048 0.373 0.000 1.276 255 H CB 1.549 31.607 29.762 0.494 0.000 1.881 255 H HN 0.593 nan 8.280 nan 0.000 0.615 256 L N 1.079 122.624 121.223 0.535 0.000 2.385 256 L HA 0.371 4.711 4.340 0.000 0.000 0.273 256 L C -0.703 176.503 176.870 0.559 0.000 0.990 256 L CA -0.775 54.354 54.840 0.482 0.000 0.821 256 L CB 1.716 43.898 42.059 0.204 0.000 1.279 256 L HN 0.536 nan 8.230 nan 0.000 0.412 257 N N 2.618 121.678 118.700 0.600 0.000 2.392 257 N HA 0.479 5.219 4.740 0.000 0.000 0.283 257 N C -1.302 174.429 175.510 0.369 0.000 1.003 257 N CA -0.479 52.842 53.050 0.452 0.000 0.892 257 N CB 1.596 40.409 38.487 0.543 0.000 1.193 257 N HN 0.409 nan 8.380 nan 0.000 0.487 258 L N 2.703 124.014 121.223 0.147 0.000 2.292 258 L HA 0.440 4.780 4.340 0.000 0.000 0.284 258 L C -0.470 176.324 176.870 -0.126 0.000 1.065 258 L CA -0.302 54.441 54.840 -0.162 0.000 0.806 258 L CB 0.909 42.715 42.059 -0.423 0.000 1.175 258 L HN 0.529 nan 8.230 nan 0.000 0.431 259 D N 3.480 123.800 120.400 -0.135 0.000 2.411 259 D HA 0.074 4.714 4.640 0.000 0.000 0.225 259 D C -0.036 176.169 176.300 -0.158 0.000 1.156 259 D CA -0.264 53.687 54.000 -0.082 0.000 0.874 259 D CB 0.910 41.691 40.800 -0.032 0.000 1.034 259 D HN 0.683 nan 8.370 nan 0.000 0.502 260 D N 2.656 122.964 120.400 -0.153 0.000 2.324 260 D HA -0.047 4.593 4.640 0.000 0.000 0.235 260 D C 0.780 177.008 176.300 -0.121 0.000 1.095 260 D CA 0.188 54.086 54.000 -0.169 0.000 0.871 260 D CB 0.206 40.905 40.800 -0.168 0.000 0.906 260 D HN 0.351 nan 8.370 nan 0.000 0.522 261 K N -0.405 119.938 120.400 -0.094 0.000 2.335 261 K HA 0.158 4.478 4.320 0.000 0.000 0.195 261 K C 0.773 177.330 176.600 -0.071 0.000 1.058 261 K CA 0.154 56.399 56.287 -0.070 0.000 0.988 261 K CB 0.456 32.927 32.500 -0.048 0.000 0.880 261 K HN 0.006 nan 8.250 nan 0.000 0.513 262 N N 0.150 118.802 118.700 -0.080 0.000 2.159 262 N HA 0.105 4.845 4.740 0.000 0.000 0.217 262 N C -0.435 175.015 175.510 -0.100 0.000 1.223 262 N CA 0.125 53.132 53.050 -0.073 0.000 0.896 262 N CB 1.022 39.480 38.487 -0.048 0.000 1.064 262 N HN -0.050 nan 8.380 nan 0.000 0.518 263 M N 0.580 120.088 119.600 -0.153 0.000 2.297 263 M HA -0.138 4.342 4.480 0.000 0.000 0.200 263 M C -1.049 175.131 176.300 -0.200 0.000 0.414 263 M CA 0.437 55.600 55.300 -0.228 0.000 0.449 263 M CB -2.497 29.976 32.600 -0.211 0.000 1.436 263 M HN -0.229 nan 8.290 nan 0.000 0.912 264 V N 0.959 120.773 119.914 -0.167 0.000 2.409 264 V HA 0.547 4.667 4.120 0.000 0.000 0.291 264 V C 0.172 176.261 176.094 -0.009 0.000 1.020 264 V CA -0.614 61.671 62.300 -0.025 0.000 0.848 264 V CB 1.877 33.723 31.823 0.038 0.000 0.990 264 V HN 0.270 nan 8.190 nan 0.000 0.430 265 F N 2.960 123.060 119.950 0.250 0.000 2.379 265 F HA 0.575 5.102 4.527 0.000 0.000 0.332 265 F C 0.491 176.562 175.800 0.452 0.000 1.096 265 F CA -0.270 57.923 58.000 0.323 0.000 1.105 265 F CB 1.282 40.484 39.000 0.337 0.000 1.189 265 F HN 0.487 nan 8.300 nan 0.000 0.515 266 E N 0.662 121.259 120.200 0.662 0.000 2.314 266 E HA 0.375 4.725 4.350 0.000 0.000 0.272 266 E C -1.152 175.818 176.600 0.616 0.000 0.884 266 E CA -0.871 55.883 56.400 0.589 0.000 0.753 266 E CB 1.529 31.496 29.700 0.445 0.000 1.213 266 E HN 0.602 nan 8.360 nan 0.000 0.432 267 S N 3.703 119.757 115.700 0.590 0.000 2.546 267 S HA 0.003 4.473 4.470 0.000 0.000 0.290 267 S C -0.491 174.371 174.600 0.437 0.000 1.290 267 S CA -0.551 57.956 58.200 0.512 0.000 1.069 267 S CB 0.328 63.798 63.200 0.450 0.000 0.846 267 S HN 0.531 nan 8.310 nan 0.000 0.495 268 W N 5.924 127.355 121.300 0.217 0.000 2.521 268 W HA 0.411 5.071 4.660 0.000 0.000 0.310 268 W C -1.523 175.035 176.519 0.065 0.000 1.000 268 W CA -1.361 56.034 57.345 0.082 0.000 1.353 268 W CB 0.666 30.123 29.460 -0.005 0.000 1.276 268 W HN 0.685 nan 8.180 nan 0.000 0.417 269 L N 3.866 125.137 121.223 0.081 0.000 2.466 269 L HA 0.341 4.681 4.340 0.000 0.000 0.257 269 L C 1.043 177.972 176.870 0.099 0.000 1.189 269 L CA -0.109 54.787 54.840 0.093 0.000 0.813 269 L CB 0.494 42.516 42.059 -0.062 0.000 1.118 269 L HN 0.148 nan 8.230 nan 0.000 0.471 270 T N 2.493 117.109 114.554 0.103 0.000 2.780 270 T HA 0.265 4.615 4.350 0.000 0.000 0.294 270 T C -2.264 172.316 174.700 -0.201 0.000 0.949 270 T CA -0.953 61.097 62.100 -0.083 0.000 1.074 270 T CB 0.920 69.898 68.868 0.184 0.000 0.910 270 T HN 0.403 nan 8.240 nan 0.000 0.501 271 P HA 0.236 nan 4.420 nan 0.000 0.276 271 P C -0.633 176.649 177.300 -0.030 0.000 1.244 271 P CA -0.527 62.472 63.100 -0.168 0.000 0.801 271 P CB 0.857 32.465 31.700 -0.153 0.000 1.006 272 D N 0.626 121.015 120.400 -0.019 0.000 2.511 272 D HA 0.191 4.831 4.640 0.000 0.000 0.276 272 D C 1.324 177.580 176.300 -0.073 0.000 1.220 272 D CA -0.677 53.303 54.000 -0.033 0.000 1.077 272 D CB -0.451 40.334 40.800 -0.025 0.000 1.126 272 D HN 0.284 nan 8.370 nan 0.000 0.583 273 A N -0.729 121.998 122.820 -0.155 0.000 2.076 273 A HA -0.168 4.152 4.320 0.000 0.000 0.220 273 A C 1.709 179.237 177.584 -0.093 0.000 1.160 273 A CA 1.303 53.243 52.037 -0.162 0.000 0.653 273 A CB -0.604 18.259 19.000 -0.229 0.000 0.801 273 A HN 0.541 nan 8.150 nan 0.000 0.455 274 K N -2.047 118.312 120.400 -0.067 0.000 2.358 274 K HA 0.309 4.629 4.320 0.000 0.000 0.197 274 K C 0.985 177.577 176.600 -0.013 0.000 1.025 274 K CA 0.438 56.704 56.287 -0.035 0.000 1.104 274 K CB 0.371 32.855 32.500 -0.026 0.000 0.855 274 K HN 0.566 nan 8.250 nan 0.000 0.531 275 G N 1.652 110.446 108.800 -0.010 0.000 2.175 275 G HA2 -0.193 3.767 3.960 0.000 0.000 0.244 275 G HA3 -0.193 3.767 3.960 0.000 0.000 0.244 275 G C -0.297 174.575 174.900 -0.047 0.000 0.982 275 G CA -0.128 44.965 45.100 -0.011 0.000 0.641 275 G HN 0.261 nan 8.290 nan 0.000 0.527 276 D N 0.183 120.562 120.400 -0.035 0.000 2.329 276 D HA 0.466 5.106 4.640 0.000 0.000 0.246 276 D C 0.889 177.133 176.300 -0.094 0.000 1.111 276 D CA 0.075 54.034 54.000 -0.069 0.000 0.941 276 D CB 0.746 41.526 40.800 -0.034 0.000 1.169 276 D HN 0.286 nan 8.370 nan 0.000 0.441 277 K N 0.080 120.381 120.400 -0.165 0.000 2.896 277 K HA 0.453 4.773 4.320 0.000 0.000 0.210 277 K C -0.168 176.266 176.600 -0.277 0.000 1.116 277 K CA -0.516 55.651 56.287 -0.200 0.000 1.050 277 K CB 1.170 33.527 32.500 -0.238 0.000 0.812 277 K HN 0.597 nan 8.250 nan 0.000 0.462 278 G N 1.163 109.832 108.800 -0.218 0.000 2.677 278 G HA2 -0.085 3.875 3.960 0.000 0.000 0.321 278 G HA3 -0.085 3.875 3.960 0.000 0.000 0.321 278 G C -1.715 172.998 174.900 -0.311 0.000 1.449 278 G CA -1.020 43.920 45.100 -0.265 0.000 1.064 278 G HN 0.083 nan 8.290 nan 0.000 0.627 279 Y N 3.263 123.444 120.300 -0.199 0.000 2.404 279 Y HA 0.677 5.227 4.550 0.000 0.000 0.344 279 Y C 0.875 176.614 175.900 -0.269 0.000 0.970 279 Y CA -0.613 57.373 58.100 -0.190 0.000 1.180 279 Y CB 1.234 39.650 38.460 -0.073 0.000 1.138 279 Y HN 0.445 nan 8.280 nan 0.000 0.510 280 M N 3.139 122.449 119.600 -0.484 0.000 2.644 280 M HA 0.451 4.931 4.480 0.000 0.000 0.316 280 M C -0.816 175.163 176.300 -0.535 0.000 1.200 280 M CA -0.826 54.076 55.300 -0.664 0.000 0.944 280 M CB 2.032 33.730 32.600 -1.503 0.000 1.691 280 M HN 0.571 nan 8.290 nan 0.000 0.471 281 Q N 1.551 121.133 119.800 -0.364 0.000 2.275 281 Q HA 0.357 4.697 4.340 0.000 0.000 0.258 281 Q C -1.037 174.854 176.000 -0.182 0.000 0.960 281 Q CA -0.275 55.295 55.803 -0.388 0.000 0.801 281 Q CB 1.945 30.407 28.738 -0.460 0.000 1.302 281 Q HN 0.908 nan 8.270 nan 0.000 0.433 282 T N 1.629 116.137 114.554 -0.077 0.000 2.926 282 T HA 0.425 4.775 4.350 0.000 0.000 0.307 282 T C -2.118 172.573 174.700 -0.014 0.000 1.059 282 T CA -1.010 61.121 62.100 0.052 0.000 1.122 282 T CB 0.698 69.641 68.868 0.126 0.000 0.972 282 T HN 0.385 nan 8.240 nan 0.000 0.545 283 P HA 0.411 nan 4.420 nan 0.000 0.280 283 P C -0.446 176.907 177.300 0.088 0.000 1.244 283 P CA -0.518 62.628 63.100 0.075 0.000 0.784 283 P CB 0.273 32.001 31.700 0.047 0.000 0.913 284 C N 0.867 120.272 119.300 0.175 0.000 3.311 284 C HA 0.661 5.121 4.460 0.000 0.000 0.325 284 C C -1.002 174.145 174.990 0.261 0.000 1.352 284 C CA -0.885 58.242 59.018 0.182 0.000 1.308 284 C CB 0.947 28.781 27.740 0.156 0.000 1.619 284 C HN 0.616 nan 8.230 nan 0.000 0.469 285 N N -0.204 118.578 118.700 0.137 0.000 2.262 285 N HA 0.755 5.495 4.740 0.000 0.000 0.295 285 N C -0.531 174.947 175.510 -0.053 0.000 1.161 285 N CA -0.466 52.579 53.050 -0.007 0.000 0.767 285 N CB 2.283 40.658 38.487 -0.186 0.000 1.499 285 N HN 0.998 nan 8.380 nan 0.000 0.476 286 T N -1.860 112.587 114.554 -0.178 0.000 2.847 286 T HA 0.485 4.835 4.350 0.000 0.000 0.279 286 T C -2.578 171.797 174.700 -0.541 0.000 0.984 286 T CA -1.581 60.194 62.100 -0.541 0.000 0.988 286 T CB 1.262 69.932 68.868 -0.330 0.000 1.040 286 T HN 0.102 nan 8.240 nan 0.000 0.528 287 P HA 0.272 nan 4.420 nan 0.000 0.275 287 P C -0.771 176.330 177.300 -0.332 0.000 1.266 287 P CA -0.671 62.239 63.100 -0.318 0.000 0.793 287 P CB 0.337 31.927 31.700 -0.184 0.000 1.074 288 W N 0.502 121.658 121.300 -0.241 0.000 2.184 288 W HA 0.397 5.057 4.660 0.000 0.000 0.338 288 W C 0.529 176.838 176.519 -0.350 0.000 1.257 288 W CA 0.273 57.438 57.345 -0.301 0.000 1.243 288 W CB 0.282 29.585 29.460 -0.261 0.000 1.122 288 W HN 0.069 nan 8.180 nan 0.000 0.585 289 R N 1.107 121.411 120.500 -0.327 0.000 2.494 289 R HA 0.535 4.875 4.340 0.000 0.000 0.305 289 R C -0.306 175.802 176.300 -0.320 0.000 0.959 289 R CA -0.638 55.217 56.100 -0.409 0.000 0.864 289 R CB 1.299 31.141 30.300 -0.763 0.000 1.159 289 R HN 0.413 nan 8.270 nan 0.000 0.446 290 T N -0.367 114.125 114.554 -0.103 0.000 2.863 290 T HA 0.720 5.070 4.350 0.000 0.000 0.285 290 T C -0.139 174.601 174.700 0.067 0.000 1.009 290 T CA -0.773 61.322 62.100 -0.007 0.000 0.989 290 T CB 1.050 69.892 68.868 -0.042 0.000 1.004 290 T HN 0.355 nan 8.240 nan 0.000 0.455 291 I N 2.913 123.571 120.570 0.147 0.000 2.466 291 I HA 0.400 4.570 4.170 0.000 0.000 0.279 291 I C -0.575 175.605 176.117 0.105 0.000 1.033 291 I CA -0.695 60.705 61.300 0.168 0.000 1.123 291 I CB 1.254 39.453 38.000 0.333 0.000 1.237 291 I HN 0.580 nan 8.210 nan 0.000 0.460 292 I N 6.742 127.333 120.570 0.035 0.000 2.331 292 I HA 0.531 4.701 4.170 0.000 0.000 0.292 292 I C -0.471 175.627 176.117 -0.033 0.000 0.998 292 I CA -0.763 60.531 61.300 -0.010 0.000 1.267 292 I CB 1.796 39.767 38.000 -0.047 0.000 1.386 292 I HN 0.265 nan 8.210 nan 0.000 0.476 293 V N 5.487 125.352 119.914 -0.082 0.000 2.971 293 V HA 0.800 4.921 4.120 0.000 0.000 0.309 293 V C -0.954 174.890 176.094 -0.417 0.000 1.130 293 V CA 0.023 62.197 62.300 -0.210 0.000 0.964 293 V CB 2.433 34.121 31.823 -0.226 0.000 1.029 293 V HN 0.839 nan 8.190 nan 0.000 0.427 294 S N 2.477 117.906 115.700 -0.453 0.000 2.595 294 S HA 0.415 4.885 4.470 0.000 0.000 0.270 294 S C -0.860 173.671 174.600 -0.115 0.000 1.145 294 S CA 0.191 58.136 58.200 -0.425 0.000 0.825 294 S CB 1.859 64.996 63.200 -0.106 0.000 1.107 294 S HN 1.106 nan 8.310 nan 0.000 0.461 295 D N 0.743 121.225 120.400 0.137 0.000 2.328 295 D HA 0.234 4.874 4.640 0.000 0.000 0.221 295 D C -0.167 176.300 176.300 0.278 0.000 1.072 295 D CA 0.080 54.233 54.000 0.256 0.000 0.850 295 D CB 0.145 41.130 40.800 0.309 0.000 0.922 295 D HN 0.311 nan 8.370 nan 0.000 0.516 296 D N 0.138 120.643 120.400 0.174 0.000 2.505 296 D HA 0.395 5.035 4.640 0.000 0.000 0.250 296 D C 0.925 177.115 176.300 -0.184 0.000 1.164 296 D CA -0.605 53.417 54.000 0.037 0.000 0.870 296 D CB 1.829 42.652 40.800 0.038 0.000 1.160 296 D HN -0.037 nan 8.370 nan 0.000 0.549 297 A N 4.576 127.036 122.820 -0.600 0.000 1.986 297 A HA -0.216 4.104 4.320 0.000 0.000 0.220 297 A C 1.973 179.392 177.584 -0.274 0.000 1.171 297 A CA 1.260 52.798 52.037 -0.832 0.000 0.640 297 A CB -0.195 18.083 19.000 -1.204 0.000 0.811 297 A HN 0.662 nan 8.150 nan 0.000 0.451 298 R N -0.330 120.041 120.500 -0.215 0.000 2.120 298 R HA -0.098 4.242 4.340 0.000 0.000 0.234 298 R C 1.406 177.525 176.300 -0.302 0.000 1.123 298 R CA 1.285 57.255 56.100 -0.217 0.000 0.975 298 R CB -0.328 29.925 30.300 -0.077 0.000 0.866 298 R HN 0.502 nan 8.270 nan 0.000 0.446 299 N N 0.506 119.091 118.700 -0.191 0.000 2.459 299 N HA -0.073 4.667 4.740 0.000 0.000 0.181 299 N C 1.515 176.897 175.510 -0.214 0.000 1.046 299 N CA 0.782 53.733 53.050 -0.166 0.000 0.904 299 N CB 0.054 38.502 38.487 -0.065 0.000 0.964 299 N HN 0.169 nan 8.380 nan 0.000 0.444 300 I N 0.926 121.365 120.570 -0.218 0.000 2.286 300 I HA -0.133 4.037 4.170 0.000 0.000 0.245 300 I C 2.121 178.036 176.117 -0.336 0.000 1.104 300 I CA 0.713 61.902 61.300 -0.184 0.000 1.397 300 I CB -0.944 37.033 38.000 -0.037 0.000 1.072 300 I HN 0.091 nan 8.210 nan 0.000 0.417 301 L N 0.642 121.516 121.223 -0.581 0.000 2.141 301 L HA -0.108 4.232 4.340 0.000 0.000 0.209 301 L C 2.592 178.928 176.870 -0.889 0.000 1.094 301 L CA 1.140 55.449 54.840 -0.884 0.000 0.763 301 L CB -0.657 40.595 42.059 -1.345 0.000 0.908 301 L HN 0.161 nan 8.230 nan 0.000 0.437 302 A N -0.968 121.382 122.820 -0.784 0.000 2.167 302 A HA -0.039 4.281 4.320 0.000 0.000 0.214 302 A C 1.474 178.947 177.584 -0.184 0.000 1.151 302 A CA 0.282 52.103 52.037 -0.359 0.000 0.735 302 A CB -0.227 18.683 19.000 -0.151 0.000 0.802 302 A HN 0.286 nan 8.150 nan 0.000 0.467 303 S N -0.006 115.566 115.700 -0.213 0.000 2.560 303 S HA 0.234 4.704 4.470 0.000 0.000 0.284 303 S C 0.742 175.248 174.600 -0.157 0.000 1.327 303 S CA -0.307 57.795 58.200 -0.163 0.000 1.055 303 S CB 0.183 63.283 63.200 -0.167 0.000 0.868 303 S HN 0.399 nan 8.310 nan 0.000 0.506 304 R N 4.103 124.509 120.500 -0.156 0.000 2.629 304 R HA 0.295 4.635 4.340 0.000 0.000 0.386 304 R C 1.211 177.388 176.300 -0.206 0.000 1.071 304 R CA -0.122 55.901 56.100 -0.128 0.000 1.104 304 R CB -0.514 29.740 30.300 -0.076 0.000 1.370 304 R HN 0.679 nan 8.270 nan 0.000 0.574 305 I N 0.432 120.784 120.570 -0.362 0.000 2.208 305 I HA -0.286 3.884 4.170 0.000 0.000 0.245 305 I C 1.748 177.621 176.117 -0.405 0.000 1.097 305 I CA 1.628 62.551 61.300 -0.628 0.000 1.363 305 I CB -0.266 37.333 38.000 -0.668 0.000 1.051 305 I HN 0.078 nan 8.210 nan 0.000 0.413 306 T N 1.423 115.836 114.554 -0.234 0.000 2.652 306 T HA -0.179 4.172 4.350 0.000 0.000 0.267 306 T C 1.949 176.569 174.700 -0.133 0.000 1.039 306 T CA 1.409 63.413 62.100 -0.160 0.000 1.153 306 T CB -0.437 68.401 68.868 -0.051 0.000 0.863 306 T HN 0.244 nan 8.240 nan 0.000 0.428 307 L N 1.060 122.252 121.223 -0.051 0.000 2.046 307 L HA -0.098 4.242 4.340 0.000 0.000 0.208 307 L C 2.600 179.472 176.870 0.002 0.000 1.077 307 L CA 0.952 55.817 54.840 0.043 0.000 0.747 307 L CB -0.608 41.581 42.059 0.216 0.000 0.896 307 L HN 0.215 nan 8.230 nan 0.000 0.432 308 N N 0.188 118.894 118.700 0.009 0.000 2.289 308 N HA -0.121 4.619 4.740 0.000 0.000 0.184 308 N C 1.721 177.082 175.510 -0.250 0.000 1.016 308 N CA 1.129 54.171 53.050 -0.014 0.000 0.872 308 N CB -0.105 38.425 38.487 0.072 0.000 0.973 308 N HN 0.357 nan 8.380 nan 0.000 0.433 309 L N -0.026 120.965 121.223 -0.385 0.000 2.591 309 L HA 0.087 4.427 4.340 0.000 0.000 0.228 309 L C 0.512 177.146 176.870 -0.395 0.000 1.133 309 L CA 0.097 54.549 54.840 -0.647 0.000 0.880 309 L CB -0.133 41.318 42.059 -1.013 0.000 1.033 309 L HN 0.051 nan 8.230 nan 0.000 0.450 310 N N 0.431 118.972 118.700 -0.266 0.000 2.493 310 N HA 0.118 4.858 4.740 0.000 0.000 0.275 310 N C -0.111 175.260 175.510 -0.230 0.000 1.186 310 N CA -0.450 52.495 53.050 -0.175 0.000 0.978 310 N CB 1.046 39.445 38.487 -0.146 0.000 1.184 310 N HN -0.008 nan 8.380 nan 0.000 0.487 311 E N 1.386 121.489 120.200 -0.162 0.000 2.398 311 E HA 0.187 4.537 4.350 0.000 0.000 0.263 311 E C -2.029 174.398 176.600 -0.289 0.000 1.046 311 E CA -1.419 54.869 56.400 -0.187 0.000 0.908 311 E CB -0.130 29.499 29.700 -0.117 0.000 0.963 311 E HN 0.297 nan 8.360 nan 0.000 0.431 312 P HA -0.060 nan 4.420 nan 0.000 0.270 312 P C 0.012 177.135 177.300 -0.296 0.000 1.223 312 P CA -0.306 62.585 63.100 -0.349 0.000 0.785 312 P CB 0.461 32.007 31.700 -0.256 0.000 0.923 313 C N 2.937 122.069 119.300 -0.281 0.000 2.378 313 C HA -0.058 4.402 4.460 0.000 0.000 0.395 313 C C 1.397 176.252 174.990 -0.226 0.000 1.476 313 C CA 0.675 59.545 59.018 -0.246 0.000 1.541 313 C CB -1.570 26.073 27.740 -0.163 0.000 2.524 313 C HN 0.528 nan 8.230 nan 0.000 0.595 314 K N 4.395 124.611 120.400 -0.307 0.000 2.374 314 K HA 0.278 4.598 4.320 0.000 0.000 0.202 314 K C -0.115 176.435 176.600 -0.082 0.000 1.040 314 K CA 0.243 56.396 56.287 -0.223 0.000 1.085 314 K CB 0.301 32.597 32.500 -0.340 0.000 0.873 314 K HN 0.680 nan 8.250 nan 0.000 0.539 315 I N 1.685 122.221 120.570 -0.056 0.000 2.313 315 I HA 0.120 4.290 4.170 0.000 0.000 0.286 315 I C 1.294 177.442 176.117 0.051 0.000 1.091 315 I CA -0.387 60.959 61.300 0.076 0.000 1.216 315 I CB 1.156 39.231 38.000 0.125 0.000 1.434 315 I HN 0.058 nan 8.210 nan 0.000 0.487 316 A N 5.007 127.865 122.820 0.063 0.000 1.903 316 A HA -0.243 4.077 4.320 0.000 0.000 0.219 316 A C 1.733 179.357 177.584 0.067 0.000 1.191 316 A CA 2.325 54.392 52.037 0.050 0.000 0.638 316 A CB -0.331 18.701 19.000 0.053 0.000 0.823 316 A HN 0.810 nan 8.150 nan 0.000 0.451 317 D N -0.861 119.622 120.400 0.138 0.000 2.395 317 D HA 0.445 5.085 4.640 0.000 0.000 0.226 317 D C 1.281 177.655 176.300 0.123 0.000 1.146 317 D CA 0.642 54.742 54.000 0.166 0.000 0.830 317 D CB -0.335 40.609 40.800 0.240 0.000 0.958 317 D HN 0.333 nan 8.370 nan 0.000 0.501 318 A N 1.401 124.196 122.820 -0.041 0.000 1.903 318 A HA -0.152 4.168 4.320 0.000 0.000 0.219 318 A C 2.427 179.780 177.584 -0.385 0.000 1.191 318 A CA 2.429 54.232 52.037 -0.391 0.000 0.638 318 A CB -1.045 17.793 19.000 -0.271 0.000 0.823 318 A HN 0.434 nan 8.150 nan 0.000 0.451 319 A N -0.012 122.715 122.820 -0.155 0.000 2.076 319 A HA -0.092 4.228 4.320 0.000 0.000 0.220 319 A C 2.363 179.919 177.584 -0.046 0.000 1.160 319 A CA 2.308 54.291 52.037 -0.090 0.000 0.653 319 A CB -0.863 18.114 19.000 -0.038 0.000 0.801 319 A HN 1.143 nan 8.150 nan 0.000 0.455 320 S N -1.684 114.024 115.700 0.013 0.000 2.496 320 S HA -0.025 4.445 4.470 0.000 0.000 0.224 320 S C 1.441 176.175 174.600 0.222 0.000 0.996 320 S CA 0.667 58.940 58.200 0.122 0.000 0.927 320 S CB -0.460 62.851 63.200 0.185 0.000 0.774 320 S HN 1.023 nan 8.310 nan 0.000 0.524 321 W N -0.164 121.154 121.300 0.030 0.000 2.926 321 W HA 0.465 5.125 4.660 0.000 0.000 0.221 321 W C -0.811 175.731 176.519 0.038 0.000 1.030 321 W CA -0.321 57.040 57.345 0.026 0.000 1.330 321 W CB 0.033 29.506 29.460 0.022 0.000 0.787 321 W HN -0.073 nan 8.180 nan 0.000 0.736 322 V N 4.910 124.521 119.914 -0.505 0.000 2.508 322 V HA 0.199 4.319 4.120 0.000 0.000 0.281 322 V C 0.231 176.266 176.094 -0.098 0.000 1.041 322 V CA 0.514 62.586 62.300 -0.380 0.000 1.016 322 V CB 0.208 31.728 31.823 -0.505 0.000 0.984 322 V HN 0.170 nan 8.190 nan 0.000 0.478 323 K N 4.631 125.000 120.400 -0.052 0.000 2.551 323 K HA 0.658 4.978 4.320 0.000 0.000 0.269 323 K C -3.314 173.203 176.600 -0.138 0.000 0.949 323 K CA -2.000 54.253 56.287 -0.057 0.000 0.849 323 K CB 1.869 34.348 32.500 -0.035 0.000 1.411 323 K HN 0.229 nan 8.250 nan 0.000 0.432 324 P HA 0.090 nan 4.420 nan 0.000 0.270 324 P C -1.103 176.092 177.300 -0.175 0.000 1.223 324 P CA -0.543 62.409 63.100 -0.247 0.000 0.785 324 P CB 0.618 32.175 31.700 -0.237 0.000 0.923 325 V N 2.050 121.867 119.914 -0.163 0.000 2.569 325 V HA 0.325 4.445 4.120 0.000 0.000 0.301 325 V C -0.179 175.933 176.094 0.029 0.000 1.044 325 V CA -0.603 61.652 62.300 -0.075 0.000 0.874 325 V CB 1.780 33.542 31.823 -0.102 0.000 1.002 325 V HN 0.415 nan 8.190 nan 0.000 0.424 326 K N 5.059 125.494 120.400 0.058 0.000 2.235 326 K HA 0.683 5.003 4.320 0.000 0.000 0.266 326 K C -1.350 175.502 176.600 0.420 0.000 0.980 326 K CA -0.485 55.883 56.287 0.135 0.000 0.849 326 K CB 1.351 33.754 32.500 -0.162 0.000 1.098 326 K HN 0.770 nan 8.250 nan 0.000 0.445 327 Y N 2.532 123.005 120.300 0.288 0.000 2.644 327 Y HA 0.638 5.188 4.550 0.000 0.000 0.338 327 Y C -0.842 175.177 175.900 0.198 0.000 1.119 327 Y CA -1.405 56.868 58.100 0.288 0.000 1.060 327 Y CB 1.023 39.551 38.460 0.113 0.000 1.294 327 Y HN 0.457 nan 8.280 nan 0.000 0.472 328 I N -0.546 120.053 120.570 0.049 0.000 3.322 328 I HA 1.114 5.284 4.170 0.000 0.000 0.313 328 I C -0.414 175.779 176.117 0.127 0.000 1.129 328 I CA -1.374 59.869 61.300 -0.096 0.000 0.963 328 I CB 2.371 40.263 38.000 -0.180 0.000 1.273 328 I HN 1.026 nan 8.210 nan 0.000 0.473 329 G N 0.508 109.421 108.800 0.188 0.000 2.579 329 G HA2 0.453 4.413 3.960 0.000 0.000 0.292 329 G HA3 0.453 4.413 3.960 0.000 0.000 0.292 329 G C -1.707 173.221 174.900 0.047 0.000 1.484 329 G CA -0.638 44.564 45.100 0.169 0.000 0.813 329 G HN 0.506 nan 8.290 nan 0.000 0.515 330 V N 1.246 120.995 119.914 -0.274 0.000 2.352 330 V HA 0.358 4.478 4.120 0.000 0.000 0.253 330 V C 0.297 176.343 176.094 -0.081 0.000 1.083 330 V CA 0.726 62.742 62.300 -0.474 0.000 0.993 330 V CB 0.096 31.595 31.823 -0.541 0.000 1.111 330 V HN 0.820 nan 8.190 nan 0.000 0.490 331 W N 3.925 125.107 121.300 -0.197 0.000 5.450 331 W HA 0.108 4.768 4.660 0.000 0.000 0.164 331 W C 1.675 178.149 176.519 -0.076 0.000 1.291 331 W CA -0.105 57.154 57.345 -0.144 0.000 1.920 331 W CB -0.348 29.098 29.460 -0.023 0.000 0.571 331 W HN 0.435 nan 8.180 nan 0.000 1.104 332 W N 2.587 123.688 121.300 -0.332 0.000 2.331 332 W HA -0.224 4.436 4.660 0.000 0.000 0.291 332 W C 1.262 177.479 176.519 -0.504 0.000 1.214 332 W CA 2.184 59.191 57.345 -0.563 0.000 1.228 332 W CB -0.206 29.119 29.460 -0.225 0.000 1.135 332 W HN -0.092 nan 8.180 nan 0.000 0.537 333 D N 0.382 120.604 120.400 -0.296 0.000 2.106 333 D HA -0.245 4.395 4.640 0.000 0.000 0.191 333 D C 1.997 177.946 176.300 -0.585 0.000 0.997 333 D CA 2.357 56.128 54.000 -0.382 0.000 0.834 333 D CB -0.604 40.011 40.800 -0.308 0.000 0.956 333 D HN 0.145 nan 8.370 nan 0.000 0.448 334 M N -0.307 118.806 119.600 -0.813 0.000 2.200 334 M HA -0.026 4.454 4.480 0.000 0.000 0.265 334 M C 1.957 177.691 176.300 -0.944 0.000 1.066 334 M CA 0.543 55.159 55.300 -1.140 0.000 1.127 334 M CB -0.118 31.148 32.600 -2.222 0.000 1.379 334 M HN 0.009 nan 8.290 nan 0.000 0.420 335 I N 0.251 120.283 120.570 -0.897 0.000 2.286 335 I HA -0.228 3.942 4.170 0.000 0.000 0.248 335 I C 2.350 178.106 176.117 -0.602 0.000 1.115 335 I CA 2.038 62.946 61.300 -0.653 0.000 1.392 335 I CB -1.771 35.594 38.000 -1.057 0.000 1.065 335 I HN 0.431 nan 8.210 nan 0.000 0.418 336 T N -2.320 111.726 114.554 -0.846 0.000 3.067 336 T HA 0.236 4.586 4.350 0.000 0.000 0.261 336 T C 1.599 176.063 174.700 -0.392 0.000 1.110 336 T CA 0.811 62.494 62.100 -0.695 0.000 1.113 336 T CB 0.296 68.643 68.868 -0.869 0.000 0.917 336 T HN 0.474 nan 8.240 nan 0.000 0.499 337 G N 1.451 110.027 108.800 -0.374 0.000 2.176 337 G HA2 -0.289 3.671 3.960 0.000 0.000 0.232 337 G HA3 -0.289 3.671 3.960 0.000 0.000 0.232 337 G C 0.720 175.479 174.900 -0.236 0.000 0.986 337 G CA 0.541 45.491 45.100 -0.250 0.000 0.643 337 G HN 0.622 nan 8.290 nan 0.000 0.522 338 K N 0.549 120.780 120.400 -0.281 0.000 2.057 338 K HA 0.204 4.524 4.320 0.000 0.000 0.207 338 K C 1.534 178.007 176.600 -0.211 0.000 1.049 338 K CA 1.677 57.833 56.287 -0.218 0.000 0.931 338 K CB -0.258 32.111 32.500 -0.218 0.000 0.714 338 K HN 0.606 nan 8.250 nan 0.000 0.440 339 G N -0.587 108.041 108.800 -0.287 0.000 2.788 339 G HA2 0.432 4.392 3.960 0.000 0.000 0.293 339 G HA3 0.432 4.392 3.960 0.000 0.000 0.293 339 G C -1.313 173.385 174.900 -0.336 0.000 1.305 339 G CA -0.612 44.320 45.100 -0.280 0.000 1.005 339 G HN 0.288 nan 8.290 nan 0.000 0.496 340 S N -1.474 114.062 115.700 -0.273 0.000 2.599 340 S HA 0.437 4.908 4.470 0.000 0.000 0.294 340 S C 0.135 174.620 174.600 -0.192 0.000 1.094 340 S CA -0.818 57.262 58.200 -0.200 0.000 0.931 340 S CB 1.784 64.973 63.200 -0.019 0.000 1.093 340 S HN 0.672 nan 8.310 nan 0.000 0.488 341 W N 0.920 122.123 121.300 -0.161 0.000 2.476 341 W HA 0.270 4.930 4.660 0.000 0.000 0.281 341 W C 1.297 177.795 176.519 -0.035 0.000 1.230 341 W CA 0.396 57.522 57.345 -0.365 0.000 1.287 341 W CB -0.490 28.453 29.460 -0.863 0.000 1.108 341 W HN 0.901 nan 8.180 nan 0.000 0.567 342 A N -0.100 122.912 122.820 0.320 0.000 2.386 342 A HA 0.050 4.371 4.320 0.000 0.000 0.248 342 A C 0.282 177.699 177.584 -0.279 0.000 1.082 342 A CA -0.106 52.039 52.037 0.180 0.000 0.789 342 A CB 0.376 19.529 19.000 0.254 0.000 1.025 342 A HN 0.319 nan 8.150 nan 0.000 0.490 343 Y N 1.460 121.237 120.300 -0.872 0.000 2.347 343 Y HA 0.185 4.735 4.550 0.000 0.000 0.294 343 Y C 1.209 176.860 175.900 -0.414 0.000 1.117 343 Y CA 1.830 59.250 58.100 -1.134 0.000 1.184 343 Y CB 0.246 37.667 38.460 -1.731 0.000 1.047 343 Y HN 0.669 nan 8.280 nan 0.000 0.546 344 T N -0.966 113.517 114.554 -0.118 0.000 2.896 344 T HA 0.304 4.654 4.350 0.000 0.000 0.297 344 T C -0.718 173.996 174.700 0.023 0.000 1.108 344 T CA -0.639 61.431 62.100 -0.052 0.000 1.004 344 T CB 1.424 70.364 68.868 0.120 0.000 1.159 344 T HN 0.077 nan 8.240 nan 0.000 0.499 345 D N 0.699 121.100 120.400 0.002 0.000 2.469 345 D HA 0.118 4.758 4.640 0.000 0.000 0.213 345 D C 1.344 177.658 176.300 0.023 0.000 1.135 345 D CA 0.079 54.092 54.000 0.023 0.000 0.834 345 D CB 0.581 41.383 40.800 0.002 0.000 1.009 345 D HN 0.842 nan 8.370 nan 0.000 0.507 346 E N 0.405 120.619 120.200 0.023 0.000 2.476 346 E HA 0.069 4.419 4.350 0.000 0.000 0.191 346 E C 0.107 176.717 176.600 0.016 0.000 1.064 346 E CA 0.130 56.540 56.400 0.016 0.000 0.866 346 E CB 0.242 29.949 29.700 0.011 0.000 0.952 346 E HN 0.152 nan 8.360 nan 0.000 0.492 347 L N 1.440 122.680 121.223 0.027 0.000 2.334 347 L HA 0.286 4.626 4.340 0.000 0.000 0.276 347 L C 1.354 178.231 176.870 0.012 0.000 1.014 347 L CA -0.563 54.284 54.840 0.011 0.000 0.815 347 L CB 1.875 43.936 42.059 0.003 0.000 1.268 347 L HN 0.065 nan 8.230 nan 0.000 0.428 348 T N -2.467 112.085 114.554 -0.003 0.000 2.951 348 T HA 0.007 4.358 4.350 0.000 0.000 0.268 348 T C 0.680 175.374 174.700 -0.010 0.000 1.073 348 T CA 0.749 62.846 62.100 -0.005 0.000 1.134 348 T CB -0.004 68.856 68.868 -0.014 0.000 0.884 348 T HN 0.685 nan 8.240 nan 0.000 0.479 349 S N -0.413 115.274 115.700 -0.020 0.000 2.615 349 S HA 0.596 5.066 4.470 0.000 0.000 0.268 349 S C -1.265 173.302 174.600 -0.055 0.000 1.146 349 S CA -0.507 57.672 58.200 -0.035 0.000 0.818 349 S CB 1.509 64.679 63.200 -0.050 0.000 1.111 349 S HN 1.063 nan 8.310 nan 0.000 0.465 350 V N -1.432 118.436 119.914 -0.077 0.000 2.962 350 V HA 0.853 4.973 4.120 0.000 0.000 0.313 350 V C -1.294 174.714 176.094 -0.144 0.000 1.099 350 V CA -0.911 61.318 62.300 -0.117 0.000 0.971 350 V CB 1.812 33.583 31.823 -0.087 0.000 1.028 350 V HN 1.035 nan 8.190 nan 0.000 0.430 351 K N 3.515 123.823 120.400 -0.153 0.000 2.604 351 K HA 0.545 4.866 4.320 0.000 0.000 0.247 351 K C -1.099 175.416 176.600 -0.143 0.000 0.956 351 K CA -0.620 55.588 56.287 -0.131 0.000 0.896 351 K CB 2.023 34.483 32.500 -0.067 0.000 1.131 351 K HN 0.711 nan 8.250 nan 0.000 0.440 352 L N 1.690 122.768 121.223 -0.241 0.000 2.540 352 L HA -0.033 4.307 4.340 0.000 0.000 0.276 352 L C 1.382 178.248 176.870 -0.007 0.000 1.212 352 L CA 0.975 55.678 54.840 -0.228 0.000 0.893 352 L CB -0.074 41.613 42.059 -0.620 0.000 1.138 352 L HN 1.102 nan 8.230 nan 0.000 0.491 353 G N 2.072 110.874 108.800 0.003 0.000 2.195 353 G HA2 -0.236 3.724 3.960 0.000 0.000 0.246 353 G HA3 -0.236 3.724 3.960 0.000 0.000 0.246 353 G C 0.678 175.587 174.900 0.014 0.000 0.984 353 G CA 0.413 45.541 45.100 0.048 0.000 0.633 353 G HN 0.720 nan 8.290 nan 0.000 0.525 354 E N -0.818 119.367 120.200 -0.025 0.000 2.444 354 E HA 0.122 4.472 4.350 0.000 0.000 0.203 354 E C 0.401 176.947 176.600 -0.089 0.000 0.847 354 E CA 0.401 56.776 56.400 -0.042 0.000 1.142 354 E CB 0.421 30.099 29.700 -0.036 0.000 1.125 354 E HN 0.270 nan 8.360 nan 0.000 0.521 355 T N 2.420 116.880 114.554 -0.157 0.000 2.817 355 T HA 0.023 4.373 4.350 0.000 0.000 0.295 355 T C -0.433 174.096 174.700 -0.285 0.000 0.958 355 T CA 0.292 62.226 62.100 -0.277 0.000 1.157 355 T CB 0.391 68.976 68.868 -0.471 0.000 0.898 355 T HN -0.023 nan 8.240 nan 0.000 0.536 356 D N 2.541 122.822 120.400 -0.199 0.000 2.456 356 D HA 0.156 4.797 4.640 0.000 0.000 0.219 356 D C 0.376 176.632 176.300 -0.073 0.000 1.126 356 D CA -0.620 53.326 54.000 -0.090 0.000 0.890 356 D CB 0.201 40.983 40.800 -0.029 0.000 1.025 356 D HN 0.485 nan 8.370 nan 0.000 0.511 357 Y N 1.422 121.726 120.300 0.006 0.000 2.333 357 Y HA -0.215 4.335 4.550 0.000 0.000 0.290 357 Y C 2.658 178.566 175.900 0.013 0.000 1.144 357 Y CA 1.345 59.445 58.100 -0.000 0.000 1.228 357 Y CB -0.274 38.130 38.460 -0.093 0.000 0.985 357 Y HN 0.438 nan 8.280 nan 0.000 0.542 358 S N -0.113 115.676 115.700 0.148 0.000 2.442 358 S HA -0.171 4.300 4.470 0.000 0.000 0.236 358 S C 1.488 176.167 174.600 0.133 0.000 1.007 358 S CA 1.082 59.358 58.200 0.126 0.000 0.965 358 S CB -0.291 62.964 63.200 0.092 0.000 0.773 358 S HN 0.461 nan 8.310 nan 0.000 0.504 359 K N 1.922 122.385 120.400 0.105 0.000 2.387 359 K HA 0.123 4.443 4.320 0.000 0.000 0.198 359 K C 0.429 177.085 176.600 0.093 0.000 1.022 359 K CA 0.357 56.692 56.287 0.080 0.000 1.128 359 K CB 0.466 32.991 32.500 0.040 0.000 0.853 359 K HN 0.644 nan 8.250 nan 0.000 0.523 360 T N -1.054 113.597 114.554 0.161 0.000 2.934 360 T HA 0.315 4.665 4.350 0.000 0.000 0.283 360 T C -0.198 174.602 174.700 0.167 0.000 1.005 360 T CA -0.971 61.229 62.100 0.167 0.000 1.041 360 T CB 1.518 70.532 68.868 0.244 0.000 1.042 360 T HN -0.111 nan 8.240 nan 0.000 0.505 361 K N 2.567 123.009 120.400 0.069 0.000 2.276 361 K HA 0.362 4.682 4.320 0.000 0.000 0.285 361 K C -2.638 173.882 176.600 -0.132 0.000 1.062 361 K CA -1.765 54.517 56.287 -0.008 0.000 0.918 361 K CB 0.518 33.009 32.500 -0.015 0.000 1.055 361 K HN 0.403 nan 8.250 nan 0.000 0.477 362 P HA -0.051 nan 4.420 nan 0.000 0.265 362 P C -0.147 176.976 177.300 -0.295 0.000 1.193 362 P CA -0.067 62.713 63.100 -0.532 0.000 0.765 362 P CB 0.473 31.903 31.700 -0.450 0.000 0.823 363 N N 2.241 120.766 118.700 -0.293 0.000 2.515 363 N HA 0.007 4.747 4.740 0.000 0.000 0.185 363 N C 1.227 176.662 175.510 -0.125 0.000 1.109 363 N CA 0.794 53.748 53.050 -0.159 0.000 0.903 363 N CB -0.761 37.653 38.487 -0.122 0.000 0.969 363 N HN 0.582 nan 8.380 nan 0.000 0.450 364 G N -0.100 108.614 108.800 -0.143 0.000 2.155 364 G HA2 -0.349 3.611 3.960 0.000 0.000 0.257 364 G HA3 -0.349 3.611 3.960 0.000 0.000 0.257 364 G C 0.571 175.422 174.900 -0.082 0.000 0.983 364 G CA 0.737 45.778 45.100 -0.097 0.000 0.676 364 G HN 0.540 nan 8.290 nan 0.000 0.528 365 K N -0.604 119.746 120.400 -0.084 0.000 2.477 365 K HA 0.130 4.450 4.320 0.000 0.000 0.208 365 K C 0.495 177.053 176.600 -0.070 0.000 1.117 365 K CA -0.526 55.711 56.287 -0.083 0.000 1.039 365 K CB 0.610 33.057 32.500 -0.087 0.000 0.937 365 K HN 0.549 nan 8.250 nan 0.000 0.570 366 H N 1.255 120.221 119.070 -0.173 0.000 3.232 366 H HA 0.089 4.645 4.556 0.000 0.000 0.254 366 H C 0.157 175.412 175.328 -0.123 0.000 1.213 366 H CA -0.047 55.902 56.048 -0.165 0.000 1.503 366 H CB 0.682 30.338 29.762 -0.178 0.000 1.563 366 H HN 0.082 nan 8.280 nan 0.000 0.490 367 S N 3.524 119.010 115.700 -0.357 0.000 2.423 367 S HA -0.086 4.384 4.470 0.000 0.000 0.231 367 S C 1.532 175.895 174.600 -0.395 0.000 1.014 367 S CA 0.697 58.693 58.200 -0.340 0.000 0.965 367 S CB 0.169 63.167 63.200 -0.336 0.000 0.785 367 S HN 0.709 nan 8.310 nan 0.000 0.495 368 A N 2.885 125.312 122.820 -0.654 0.000 3.051 368 A HA 0.319 4.639 4.320 0.000 0.000 0.257 368 A C 0.231 177.762 177.584 -0.088 0.000 1.785 368 A CA -0.691 51.137 52.037 -0.349 0.000 1.420 368 A CB -1.096 17.740 19.000 -0.272 0.000 1.063 368 A HN 0.625 nan 8.150 nan 0.000 0.630 369 N N -1.966 116.718 118.700 -0.025 0.000 2.319 369 N HA 0.406 5.147 4.740 0.000 0.000 0.305 369 N C 0.661 176.216 175.510 0.076 0.000 1.103 369 N CA -0.187 52.934 53.050 0.119 0.000 0.815 369 N CB 0.735 39.267 38.487 0.076 0.000 1.288 369 N HN -0.067 nan 8.380 nan 0.000 0.493 370 T N 0.613 115.187 114.554 0.034 0.000 2.620 370 T HA -0.327 4.023 4.350 0.000 0.000 0.267 370 T C 1.833 176.481 174.700 -0.088 0.000 1.044 370 T CA 2.444 64.489 62.100 -0.092 0.000 1.161 370 T CB -0.779 68.024 68.868 -0.109 0.000 0.862 370 T HN 0.749 nan 8.240 nan 0.000 0.438 371 A N 1.662 124.450 122.820 -0.054 0.000 1.883 371 A HA -0.191 4.129 4.320 0.000 0.000 0.217 371 A C 2.218 179.790 177.584 -0.020 0.000 1.186 371 A CA 2.200 54.202 52.037 -0.058 0.000 0.624 371 A CB -0.918 18.065 19.000 -0.029 0.000 0.822 371 A HN 0.524 nan 8.150 nan 0.000 0.444 372 N N -0.148 118.557 118.700 0.009 0.000 2.142 372 N HA -0.115 4.625 4.740 0.000 0.000 0.186 372 N C 1.450 177.027 175.510 0.112 0.000 1.023 372 N CA 1.666 54.753 53.050 0.061 0.000 0.852 372 N CB -0.336 38.160 38.487 0.016 0.000 0.998 372 N HN 0.150 nan 8.380 nan 0.000 0.424 373 V N 0.906 120.841 119.914 0.035 0.000 2.407 373 V HA -0.204 3.916 4.120 0.000 0.000 0.248 373 V C 2.182 178.345 176.094 0.114 0.000 1.055 373 V CA 1.544 63.876 62.300 0.053 0.000 1.049 373 V CB -0.438 31.416 31.823 0.053 0.000 0.662 373 V HN 0.367 nan 8.190 nan 0.000 0.455 374 K N -0.276 120.128 120.400 0.007 0.000 2.147 374 K HA -0.143 4.178 4.320 0.000 0.000 0.205 374 K C 2.369 179.049 176.600 0.133 0.000 1.049 374 K CA 1.207 57.466 56.287 -0.046 0.000 0.936 374 K CB -0.219 32.036 32.500 -0.408 0.000 0.722 374 K HN 0.438 nan 8.250 nan 0.000 0.446 375 R N -0.296 120.292 120.500 0.146 0.000 2.081 375 R HA -0.146 4.195 4.340 0.000 0.000 0.235 375 R C 2.123 178.543 176.300 0.200 0.000 1.131 375 R CA 1.488 57.683 56.100 0.158 0.000 0.960 375 R CB -0.343 30.028 30.300 0.119 0.000 0.856 375 R HN 0.243 nan 8.270 nan 0.000 0.436 376 Y N 0.816 121.167 120.300 0.085 0.000 2.200 376 Y HA -0.095 4.455 4.550 0.000 0.000 0.290 376 Y C 2.199 178.204 175.900 0.174 0.000 1.137 376 Y CA 0.894 59.055 58.100 0.102 0.000 1.163 376 Y CB -0.280 38.212 38.460 0.054 0.000 0.988 376 Y HN -0.030 nan 8.280 nan 0.000 0.518 377 I N -0.232 120.539 120.570 0.336 0.000 2.226 377 I HA -0.319 3.851 4.170 0.000 0.000 0.245 377 I C 1.853 178.119 176.117 0.249 0.000 1.100 377 I CA 1.466 62.937 61.300 0.284 0.000 1.374 377 I CB -0.354 37.849 38.000 0.338 0.000 1.057 377 I HN 0.180 nan 8.210 nan 0.000 0.413 378 D N 0.624 121.189 120.400 0.275 0.000 2.104 378 D HA -0.230 4.410 4.640 0.000 0.000 0.194 378 D C 1.962 178.356 176.300 0.157 0.000 0.994 378 D CA 1.429 55.547 54.000 0.197 0.000 0.830 378 D CB -0.411 40.509 40.800 0.201 0.000 0.959 378 D HN 0.269 nan 8.370 nan 0.000 0.452 379 F N 1.534 121.520 119.950 0.059 0.000 2.134 379 F HA -0.124 4.403 4.527 0.000 0.000 0.299 379 F C 2.266 178.145 175.800 0.132 0.000 1.097 379 F CA 1.463 59.511 58.000 0.079 0.000 1.264 379 F CB -0.161 38.827 39.000 -0.019 0.000 1.001 379 F HN -0.071 nan 8.300 nan 0.000 0.479 380 A N 0.334 123.328 122.820 0.289 0.000 1.883 380 A HA -0.134 4.187 4.320 0.000 0.000 0.217 380 A C 2.381 180.086 177.584 0.203 0.000 1.186 380 A CA 1.951 54.136 52.037 0.246 0.000 0.624 380 A CB -1.570 17.571 19.000 0.235 0.000 0.822 380 A HN 0.486 nan 8.150 nan 0.000 0.444 381 A N -0.370 122.507 122.820 0.093 0.000 1.930 381 A HA 0.232 4.553 4.320 0.000 0.000 0.217 381 A C 2.443 179.976 177.584 -0.084 0.000 1.175 381 A CA 1.839 53.883 52.037 0.012 0.000 0.627 381 A CB -0.905 18.084 19.000 -0.018 0.000 0.815 381 A HN 1.089 nan 8.150 nan 0.000 0.443 382 A N -1.638 121.062 122.820 -0.200 0.000 2.067 382 A HA -0.107 4.213 4.320 0.000 0.000 0.219 382 A C 1.622 178.814 177.584 -0.653 0.000 1.158 382 A CA 1.344 53.111 52.037 -0.450 0.000 0.661 382 A CB -0.534 18.096 19.000 -0.616 0.000 0.801 382 A HN 0.639 nan 8.150 nan 0.000 0.452 383 H N -1.870 117.150 119.070 -0.083 0.000 2.581 383 H HA 0.313 4.869 4.556 0.000 0.000 0.275 383 H C 1.321 176.628 175.328 -0.034 0.000 1.126 383 H CA 0.314 56.345 56.048 -0.028 0.000 1.097 383 H CB 0.129 29.914 29.762 0.039 0.000 1.626 383 H HN 0.574 nan 8.280 nan 0.000 0.565 384 G N 1.160 109.978 108.800 0.029 0.000 2.147 384 G HA2 -0.278 3.682 3.960 0.000 0.000 0.244 384 G HA3 -0.278 3.682 3.960 0.000 0.000 0.244 384 G C -0.191 174.620 174.900 -0.149 0.000 1.005 384 G CA -0.169 44.877 45.100 -0.089 0.000 0.713 384 G HN 0.170 nan 8.290 nan 0.000 0.515 385 F N 0.398 120.328 119.950 -0.033 0.000 2.380 385 F HA 0.435 4.962 4.527 0.000 0.000 0.325 385 F C 1.526 177.330 175.800 0.006 0.000 1.136 385 F CA -0.302 57.696 58.000 -0.004 0.000 1.171 385 F CB 0.684 39.730 39.000 0.076 0.000 1.230 385 F HN -0.025 nan 8.300 nan 0.000 0.554 386 D N 0.463 120.969 120.400 0.177 0.000 2.262 386 D HA 0.221 4.861 4.640 0.000 0.000 0.212 386 D C 0.347 176.723 176.300 0.126 0.000 0.964 386 D CA 0.783 54.841 54.000 0.097 0.000 0.875 386 D CB 0.349 41.169 40.800 0.033 0.000 0.996 386 D HN 0.401 nan 8.370 nan 0.000 0.497 387 A N 0.038 122.980 122.820 0.204 0.000 2.593 387 A HA 0.604 4.924 4.320 0.000 0.000 0.290 387 A C -1.421 176.310 177.584 0.245 0.000 1.126 387 A CA -0.524 51.614 52.037 0.169 0.000 0.695 387 A CB 1.983 21.031 19.000 0.081 0.000 1.290 387 A HN -0.103 nan 8.150 nan 0.000 0.414 388 V N 1.183 121.211 119.914 0.190 0.000 2.525 388 V HA 0.463 4.583 4.120 0.000 0.000 0.299 388 V C -0.762 175.439 176.094 0.179 0.000 1.034 388 V CA -0.396 62.034 62.300 0.216 0.000 0.863 388 V CB 1.296 33.239 31.823 0.200 0.000 0.999 388 V HN 0.902 nan 8.190 nan 0.000 0.423 389 L N 6.830 128.184 121.223 0.218 0.000 2.334 389 L HA 0.787 5.127 4.340 0.000 0.000 0.277 389 L C -0.587 176.335 176.870 0.088 0.000 1.075 389 L CA 0.357 55.279 54.840 0.138 0.000 0.804 389 L CB 1.601 43.758 42.059 0.163 0.000 1.174 389 L HN 0.437 nan 8.230 nan 0.000 0.438 390 V N 4.574 124.538 119.914 0.084 0.000 2.569 390 V HA 0.491 4.611 4.120 0.000 0.000 0.301 390 V C -0.587 175.569 176.094 0.103 0.000 1.044 390 V CA -0.686 61.651 62.300 0.062 0.000 0.874 390 V CB 1.575 33.489 31.823 0.152 0.000 1.002 390 V HN 0.833 nan 8.190 nan 0.000 0.424 391 E N 2.481 122.685 120.200 0.008 0.000 2.207 391 E HA 0.637 4.987 4.350 0.000 0.000 0.270 391 E C 0.752 177.291 176.600 -0.102 0.000 0.927 391 E CA -0.229 56.193 56.400 0.036 0.000 0.799 391 E CB 2.048 31.713 29.700 -0.059 0.000 1.172 391 E HN 1.045 nan 8.360 nan 0.000 0.404 392 G N 2.141 110.767 108.800 -0.291 0.000 2.132 392 G HA2 -0.203 3.757 3.960 0.000 0.000 0.234 392 G HA3 -0.203 3.757 3.960 0.000 0.000 0.234 392 G C 0.450 175.387 174.900 0.061 0.000 0.989 392 G CA 0.364 45.160 45.100 -0.505 0.000 0.676 392 G HN 0.754 nan 8.290 nan 0.000 0.522 393 W N 1.307 122.516 121.300 -0.152 0.000 2.576 393 W HA 0.194 4.854 4.660 0.000 0.000 0.270 393 W C 0.372 176.707 176.519 -0.306 0.000 1.255 393 W CA 0.807 57.878 57.345 -0.457 0.000 1.314 393 W CB -0.618 28.090 29.460 -1.253 0.000 1.101 393 W HN 0.445 nan 8.180 nan 0.000 0.595 394 N N 1.679 119.551 118.700 -1.381 0.000 2.443 394 N HA 0.122 4.862 4.740 0.000 0.000 0.293 394 N C -0.626 174.074 175.510 -1.351 0.000 1.159 394 N CA -0.573 51.547 53.050 -1.551 0.000 0.904 394 N CB 1.168 38.361 38.487 -2.157 0.000 1.214 394 N HN 0.062 nan 8.380 nan 0.000 0.513 395 E N -0.703 118.746 120.200 -1.253 0.000 2.442 395 E HA 0.285 4.635 4.350 0.000 0.000 0.262 395 E C 0.602 176.888 176.600 -0.522 0.000 1.004 395 E CA 0.848 56.598 56.400 -1.083 0.000 0.928 395 E CB 0.213 29.631 29.700 -0.469 0.000 0.937 395 E HN 0.915 nan 8.360 nan 0.000 0.446 396 G N 2.112 110.779 108.800 -0.222 0.000 2.284 396 G HA2 -0.235 3.725 3.960 0.000 0.000 0.201 396 G HA3 -0.235 3.725 3.960 0.000 0.000 0.201 396 G C 0.506 175.282 174.900 -0.205 0.000 0.998 396 G CA -0.112 44.811 45.100 -0.295 0.000 0.651 396 G HN 0.684 nan 8.290 nan 0.000 0.489 397 W N 1.475 122.896 121.300 0.203 0.000 2.387 397 W HA 0.214 4.874 4.660 0.000 0.000 0.272 397 W C 2.197 178.914 176.519 0.330 0.000 1.224 397 W CA 1.455 58.987 57.345 0.311 0.000 1.210 397 W CB 0.016 29.667 29.460 0.319 0.000 1.125 397 W HN 0.379 nan 8.180 nan 0.000 0.572 398 E N -0.324 120.134 120.200 0.430 0.000 2.160 398 E HA -0.183 4.167 4.350 0.000 0.000 0.195 398 E C 0.975 177.706 176.600 0.219 0.000 0.991 398 E CA 1.491 58.084 56.400 0.323 0.000 0.810 398 E CB -0.345 29.512 29.700 0.261 0.000 0.742 398 E HN 0.160 nan 8.360 nan 0.000 0.466 399 D N -1.166 119.286 120.400 0.085 0.000 2.462 399 D HA -0.012 4.628 4.640 0.000 0.000 0.221 399 D C 1.006 177.242 176.300 -0.106 0.000 1.173 399 D CA -0.204 53.772 54.000 -0.041 0.000 0.831 399 D CB -0.388 40.324 40.800 -0.148 0.000 1.001 399 D HN 0.365 nan 8.370 nan 0.000 0.499 400 W N 0.367 121.546 121.300 -0.201 0.000 2.392 400 W HA -0.027 4.634 4.660 0.000 0.000 0.279 400 W C -0.511 175.984 176.519 -0.040 0.000 1.225 400 W CA -0.019 57.173 57.345 -0.255 0.000 1.233 400 W CB -0.622 28.700 29.460 -0.230 0.000 1.122 400 W HN -0.121 nan 8.180 nan 0.000 0.561 401 F N 1.984 121.351 119.950 -0.973 0.000 2.388 401 F HA 0.527 5.054 4.527 0.000 0.000 0.358 401 F C 1.217 176.704 175.800 -0.521 0.000 1.122 401 F CA 0.208 57.557 58.000 -1.084 0.000 1.056 401 F CB 0.985 39.173 39.000 -1.354 0.000 1.155 401 F HN 0.167 nan 8.300 nan 0.000 0.461 402 G N 4.160 112.362 108.800 -0.997 0.000 2.203 402 G HA2 -0.371 3.589 3.960 0.000 0.000 0.263 402 G HA3 -0.371 3.589 3.960 0.000 0.000 0.263 402 G C 0.731 175.417 174.900 -0.357 0.000 1.012 402 G CA 0.578 45.256 45.100 -0.702 0.000 0.749 402 G HN 0.648 nan 8.290 nan 0.000 0.512 403 N N 0.085 118.614 118.700 -0.286 0.000 2.280 403 N HA 0.138 4.879 4.740 0.000 0.000 0.192 403 N C 1.161 176.574 175.510 -0.161 0.000 1.109 403 N CA 0.936 53.872 53.050 -0.190 0.000 0.855 403 N CB 0.502 38.890 38.487 -0.166 0.000 0.974 403 N HN 0.606 nan 8.380 nan 0.000 0.482 404 S N 0.668 116.264 115.700 -0.173 0.000 3.631 404 S HA -0.223 4.248 4.470 0.000 0.000 0.366 404 S C 0.120 174.652 174.600 -0.113 0.000 0.993 404 S CA 0.423 58.545 58.200 -0.129 0.000 1.167 404 S CB -1.332 61.804 63.200 -0.107 0.000 0.909 404 S HN 0.462 nan 8.310 nan 0.000 0.478 405 K N 0.499 120.817 120.400 -0.137 0.000 2.258 405 K HA 0.231 4.551 4.320 0.000 0.000 0.284 405 K C 1.022 177.561 176.600 -0.101 0.000 1.051 405 K CA -0.344 55.863 56.287 -0.132 0.000 0.923 405 K CB 0.710 33.093 32.500 -0.196 0.000 1.046 405 K HN 0.295 nan 8.250 nan 0.000 0.474 406 D N 2.690 123.061 120.400 -0.048 0.000 2.087 406 D HA -0.211 4.429 4.640 0.000 0.000 0.201 406 D C -0.067 176.274 176.300 0.069 0.000 0.980 406 D CA 1.284 55.290 54.000 0.009 0.000 0.849 406 D CB -0.067 40.745 40.800 0.021 0.000 1.001 406 D HN 0.541 nan 8.370 nan 0.000 0.452 407 Y N 1.597 121.842 120.300 -0.092 0.000 2.667 407 Y HA 0.298 4.848 4.550 0.000 0.000 0.340 407 Y C 0.865 176.622 175.900 -0.239 0.000 1.303 407 Y CA -0.554 57.484 58.100 -0.103 0.000 1.769 407 Y CB -0.012 38.411 38.460 -0.062 0.000 1.804 407 Y HN -0.131 nan 8.280 nan 0.000 0.451 408 V N 4.357 124.052 119.914 -0.366 0.000 2.725 408 V HA 0.167 4.287 4.120 0.000 0.000 0.247 408 V C -0.368 174.979 176.094 -1.244 0.000 1.058 408 V CA 1.143 62.986 62.300 -0.763 0.000 1.080 408 V CB -0.090 31.316 31.823 -0.695 0.000 0.713 408 V HN 0.299 nan 8.190 nan 0.000 0.465 409 F N 0.247 119.724 119.950 -0.788 0.000 2.645 409 F HA 0.463 4.990 4.527 0.000 0.000 0.310 409 F C 0.234 175.277 175.800 -1.260 0.000 1.102 409 F CA -0.761 56.544 58.000 -1.158 0.000 0.952 409 F CB 1.600 39.615 39.000 -1.640 0.000 1.326 409 F HN 0.068 nan 8.300 nan 0.000 0.456 410 D N -0.705 119.144 120.400 -0.919 0.000 2.469 410 D HA 0.098 4.738 4.640 0.000 0.000 0.213 410 D C 0.591 176.634 176.300 -0.430 0.000 1.135 410 D CA -0.105 53.443 54.000 -0.753 0.000 0.834 410 D CB -0.265 40.382 40.800 -0.254 0.000 1.009 410 D HN 0.389 nan 8.370 nan 0.000 0.507 411 F N -0.296 119.402 119.950 -0.420 0.000 2.973 411 F HA -0.301 4.227 4.527 0.000 0.000 0.299 411 F C 1.326 177.002 175.800 -0.207 0.000 0.737 411 F CA 1.026 58.808 58.000 -0.364 0.000 1.151 411 F CB -1.932 36.793 39.000 -0.459 0.000 1.440 411 F HN 0.215 nan 8.300 nan 0.000 0.367 412 V N -6.374 113.396 119.914 -0.240 0.000 3.332 412 V HA 0.300 4.420 4.120 0.000 0.000 0.263 412 V C 0.706 176.566 176.094 -0.390 0.000 1.562 412 V CA 0.665 62.655 62.300 -0.518 0.000 1.040 412 V CB 0.874 32.448 31.823 -0.415 0.000 0.857 412 V HN 0.081 nan 8.190 nan 0.000 0.428 413 T N 5.848 120.233 114.554 -0.281 0.000 2.727 413 T HA 0.462 4.812 4.350 0.000 0.000 0.298 413 T C -2.489 172.083 174.700 -0.214 0.000 0.942 413 T CA -0.707 61.299 62.100 -0.156 0.000 0.997 413 T CB 1.351 70.132 68.868 -0.144 0.000 0.917 413 T HN 0.463 nan 8.240 nan 0.000 0.487 414 P HA 0.203 nan 4.420 nan 0.000 0.277 414 P C -0.587 176.736 177.300 0.038 0.000 1.240 414 P CA -0.614 62.615 63.100 0.215 0.000 0.798 414 P CB 0.736 32.835 31.700 0.664 0.000 0.979 415 Y N 1.886 122.187 120.300 0.001 0.000 2.330 415 Y HA 0.067 4.617 4.550 0.000 0.000 0.341 415 Y C -0.775 175.071 175.900 -0.090 0.000 1.278 415 Y CA -1.316 56.644 58.100 -0.233 0.000 1.453 415 Y CB -1.136 37.172 38.460 -0.254 0.000 1.342 415 Y HN 0.381 nan 8.280 nan 0.000 0.590 416 P HA -0.162 nan 4.420 nan 0.000 0.218 416 P C 0.332 177.731 177.300 0.165 0.000 1.146 416 P CA 1.982 65.081 63.100 -0.003 0.000 0.813 416 P CB 0.159 31.776 31.700 -0.137 0.000 0.778 417 D N -2.377 118.192 120.400 0.282 0.000 2.342 417 D HA 0.001 4.641 4.640 0.000 0.000 0.221 417 D C -0.380 176.146 176.300 0.377 0.000 1.101 417 D CA -0.428 53.783 54.000 0.351 0.000 0.837 417 D CB -0.835 40.239 40.800 0.456 0.000 0.938 417 D HN 0.127 nan 8.370 nan 0.000 0.508 418 F N 1.639 121.744 119.950 0.259 0.000 2.382 418 F HA 0.258 4.785 4.527 0.000 0.000 0.361 418 F C -0.594 175.346 175.800 0.233 0.000 1.109 418 F CA -1.254 56.905 58.000 0.264 0.000 1.031 418 F CB 1.216 40.450 39.000 0.390 0.000 1.234 418 F HN -0.296 nan 8.300 nan 0.000 0.445 419 D N 5.960 126.253 120.400 -0.178 0.000 2.468 419 D HA 0.115 4.755 4.640 0.000 0.000 0.218 419 D C 1.223 177.397 176.300 -0.209 0.000 1.155 419 D CA 0.170 54.115 54.000 -0.092 0.000 0.924 419 D CB 1.146 41.904 40.800 -0.071 0.000 1.029 419 D HN 0.421 nan 8.370 nan 0.000 0.515 420 V N 4.766 124.696 119.914 0.027 0.000 2.252 420 V HA -0.296 3.824 4.120 0.000 0.000 0.249 420 V C 2.414 178.545 176.094 0.061 0.000 1.056 420 V CA 1.751 64.127 62.300 0.127 0.000 1.022 420 V CB -0.318 31.756 31.823 0.417 0.000 0.641 420 V HN 0.524 nan 8.190 nan 0.000 0.445 421 K N -0.239 120.209 120.400 0.079 0.000 2.057 421 K HA -0.216 4.105 4.320 0.000 0.000 0.206 421 K C 2.228 178.846 176.600 0.029 0.000 1.050 421 K CA 1.568 57.896 56.287 0.069 0.000 0.935 421 K CB -0.194 32.343 32.500 0.061 0.000 0.715 421 K HN 0.434 nan 8.250 nan 0.000 0.439 422 E N 1.644 121.841 120.200 -0.005 0.000 2.077 422 E HA -0.127 4.223 4.350 0.000 0.000 0.193 422 E C 1.724 178.321 176.600 -0.005 0.000 0.989 422 E CA 1.168 57.559 56.400 -0.014 0.000 0.800 422 E CB -0.170 29.503 29.700 -0.044 0.000 0.746 422 E HN 0.245 nan 8.360 nan 0.000 0.452 423 I N 0.195 120.721 120.570 -0.073 0.000 2.286 423 I HA -0.251 3.919 4.170 0.000 0.000 0.248 423 I C 2.419 178.566 176.117 0.051 0.000 1.115 423 I CA 1.330 62.595 61.300 -0.059 0.000 1.392 423 I CB -0.422 37.437 38.000 -0.235 0.000 1.065 423 I HN 0.275 nan 8.210 nan 0.000 0.418 424 H N 1.834 120.840 119.070 -0.105 0.000 2.321 424 H HA -0.092 4.464 4.556 0.000 0.000 0.300 424 H C 2.330 177.617 175.328 -0.068 0.000 1.087 424 H CA 1.772 57.739 56.048 -0.136 0.000 1.319 424 H CB -0.082 29.584 29.762 -0.161 0.000 1.379 424 H HN 0.127 nan 8.280 nan 0.000 0.501 425 R N -1.208 119.246 120.500 -0.077 0.000 2.083 425 R HA -0.195 4.145 4.340 0.000 0.000 0.237 425 R C 2.319 178.608 176.300 -0.019 0.000 1.137 425 R CA 1.702 57.726 56.100 -0.126 0.000 0.951 425 R CB -0.670 29.590 30.300 -0.067 0.000 0.851 425 R HN 0.365 nan 8.270 nan 0.000 0.434 426 Y N 1.077 121.340 120.300 -0.061 0.000 2.145 426 Y HA -0.210 4.340 4.550 0.000 0.000 0.286 426 Y C 2.354 178.242 175.900 -0.020 0.000 1.145 426 Y CA 1.419 59.497 58.100 -0.036 0.000 1.148 426 Y CB -0.326 38.118 38.460 -0.028 0.000 0.981 426 Y HN 0.076 nan 8.280 nan 0.000 0.507 427 A N 0.180 123.065 122.820 0.109 0.000 1.902 427 A HA -0.142 4.178 4.320 0.000 0.000 0.217 427 A C 2.414 179.981 177.584 -0.028 0.000 1.181 427 A CA 1.920 53.984 52.037 0.045 0.000 0.623 427 A CB -1.499 17.540 19.000 0.065 0.000 0.818 427 A HN 0.558 nan 8.150 nan 0.000 0.443 428 A N -0.201 122.607 122.820 -0.021 0.000 1.908 428 A HA -0.184 4.136 4.320 0.000 0.000 0.218 428 A C 2.177 179.703 177.584 -0.097 0.000 1.181 428 A CA 2.177 54.183 52.037 -0.051 0.000 0.627 428 A CB -0.456 18.487 19.000 -0.095 0.000 0.818 428 A HN 0.483 nan 8.150 nan 0.000 0.445 429 R N -0.029 120.385 120.500 -0.144 0.000 2.120 429 R HA -0.069 4.271 4.340 0.000 0.000 0.234 429 R C 1.247 177.431 176.300 -0.194 0.000 1.123 429 R CA 1.614 57.607 56.100 -0.177 0.000 0.975 429 R CB -0.112 30.047 30.300 -0.235 0.000 0.866 429 R HN 0.277 nan 8.270 nan 0.000 0.446 430 K N -0.755 119.512 120.400 -0.222 0.000 2.404 430 K HA 0.228 4.548 4.320 0.000 0.000 0.194 430 K C 0.584 177.130 176.600 -0.091 0.000 1.023 430 K CA 0.712 56.892 56.287 -0.178 0.000 1.094 430 K CB 0.470 32.846 32.500 -0.207 0.000 0.841 430 K HN 0.410 nan 8.250 nan 0.000 0.523 431 G N 1.884 110.640 108.800 -0.073 0.000 2.176 431 G HA2 -0.213 3.747 3.960 0.000 0.000 0.252 431 G HA3 -0.213 3.747 3.960 0.000 0.000 0.252 431 G C 0.051 174.942 174.900 -0.015 0.000 1.024 431 G CA -0.069 45.005 45.100 -0.042 0.000 0.755 431 G HN 0.172 nan 8.290 nan 0.000 0.507 432 I N -0.460 120.106 120.570 -0.006 0.000 2.648 432 I HA 0.570 4.740 4.170 0.000 0.000 0.304 432 I C 0.121 176.248 176.117 0.016 0.000 1.009 432 I CA -1.148 60.169 61.300 0.029 0.000 1.114 432 I CB 1.817 39.854 38.000 0.061 0.000 1.293 432 I HN -0.141 nan 8.210 nan 0.000 0.449 433 K N 4.699 125.109 120.400 0.018 0.000 2.259 433 K HA 0.536 4.856 4.320 0.000 0.000 0.252 433 K C -0.652 175.930 176.600 -0.029 0.000 0.936 433 K CA -0.911 55.360 56.287 -0.027 0.000 0.810 433 K CB 2.081 34.568 32.500 -0.022 0.000 1.143 433 K HN 0.381 nan 8.250 nan 0.000 0.427 434 M N 2.528 122.051 119.600 -0.130 0.000 2.233 434 M HA 0.362 4.842 4.480 0.000 0.000 0.355 434 M C 0.172 176.502 176.300 0.050 0.000 1.191 434 M CA -0.449 54.806 55.300 -0.075 0.000 1.101 434 M CB 0.784 33.227 32.600 -0.260 0.000 1.592 434 M HN 0.510 nan 8.290 nan 0.000 0.461 435 M N 3.942 123.605 119.600 0.105 0.000 2.113 435 M HA 0.326 4.806 4.480 0.000 0.000 0.352 435 M C -0.487 175.894 176.300 0.134 0.000 1.170 435 M CA -0.722 54.620 55.300 0.070 0.000 1.053 435 M CB 0.991 33.536 32.600 -0.090 0.000 1.601 435 M HN 0.726 nan 8.290 nan 0.000 0.459 436 M N 4.709 124.358 119.600 0.083 0.000 2.240 436 M HA 0.173 4.653 4.480 0.000 0.000 0.333 436 M C -1.266 175.017 176.300 -0.028 0.000 1.110 436 M CA 0.637 55.824 55.300 -0.189 0.000 1.173 436 M CB 0.330 32.647 32.600 -0.471 0.000 1.458 436 M HN 0.626 nan 8.290 nan 0.000 0.458 437 H N 2.903 121.978 119.070 0.008 0.000 2.589 437 H HA 0.425 4.981 4.556 0.000 0.000 0.335 437 H C -1.426 174.119 175.328 0.363 0.000 1.019 437 H CA -0.336 55.811 56.048 0.164 0.000 1.213 437 H CB 0.482 30.401 29.762 0.261 0.000 1.472 437 H HN 0.846 nan 8.280 nan 0.000 0.508 438 H N 3.890 122.827 119.070 -0.222 0.000 2.317 438 H HA 0.107 4.664 4.556 0.000 0.000 0.231 438 H C -0.472 174.516 175.328 -0.567 0.000 1.442 438 H CA -0.683 55.193 56.048 -0.286 0.000 1.336 438 H CB 0.667 30.295 29.762 -0.225 0.000 1.533 438 H HN 0.532 nan 8.280 nan 0.000 0.522 439 E N 1.537 121.287 120.200 -0.750 0.000 2.324 439 E HA -0.014 4.336 4.350 0.000 0.000 0.271 439 E C 1.094 177.413 176.600 -0.468 0.000 1.028 439 E CA 0.002 56.070 56.400 -0.553 0.000 0.890 439 E CB 0.952 30.360 29.700 -0.487 0.000 1.004 439 E HN 0.561 nan 8.360 nan 0.000 0.431 440 T N 0.420 114.782 114.554 -0.320 0.000 3.044 440 T HA 0.080 4.431 4.350 0.000 0.000 0.250 440 T C 0.576 175.320 174.700 0.074 0.000 1.081 440 T CA 0.219 62.247 62.100 -0.120 0.000 1.040 440 T CB -0.222 68.412 68.868 -0.389 0.000 0.962 440 T HN 0.386 nan 8.240 nan 0.000 0.506 441 S N 0.836 116.603 115.700 0.112 0.000 3.587 441 S HA -0.156 4.314 4.470 0.000 0.000 0.337 441 S C 1.160 175.810 174.600 0.083 0.000 1.119 441 S CA 0.868 59.156 58.200 0.147 0.000 0.976 441 S CB -2.128 61.123 63.200 0.084 0.000 0.922 441 S HN 2.033 nan 8.310 nan 0.000 0.503 442 A N -1.016 121.888 122.820 0.140 0.000 2.861 442 A HA -0.229 4.091 4.320 0.000 0.000 0.261 442 A C 0.816 178.458 177.584 0.097 0.000 1.351 442 A CA 1.343 53.486 52.037 0.176 0.000 0.904 442 A CB -2.008 17.071 19.000 0.132 0.000 1.076 442 A HN 1.614 nan 8.150 nan 0.000 0.729 443 S N -0.183 115.569 115.700 0.086 0.000 2.592 443 S HA 0.461 4.931 4.470 0.000 0.000 0.305 443 S C 1.314 175.992 174.600 0.130 0.000 1.118 443 S CA 0.021 58.267 58.200 0.077 0.000 1.075 443 S CB 0.202 63.438 63.200 0.059 0.000 1.107 443 S HN 0.816 nan 8.310 nan 0.000 0.503 444 V N 6.025 125.989 119.914 0.083 0.000 2.379 444 V HA -0.058 4.062 4.120 0.000 0.000 0.245 444 V C 2.618 178.747 176.094 0.058 0.000 1.044 444 V CA 1.656 63.968 62.300 0.020 0.000 1.036 444 V CB -0.664 31.066 31.823 -0.154 0.000 0.664 444 V HN 0.769 nan 8.190 nan 0.000 0.453 445 R N 0.879 121.427 120.500 0.079 0.000 2.081 445 R HA -0.223 4.117 4.340 0.000 0.000 0.235 445 R C 2.199 178.581 176.300 0.136 0.000 1.131 445 R CA 2.151 58.302 56.100 0.086 0.000 0.960 445 R CB -0.396 29.944 30.300 0.068 0.000 0.856 445 R HN 0.594 nan 8.270 nan 0.000 0.436 446 N N -0.374 118.442 118.700 0.193 0.000 2.104 446 N HA -0.249 4.491 4.740 0.000 0.000 0.190 446 N C 1.646 177.457 175.510 0.501 0.000 1.024 446 N CA 1.488 54.738 53.050 0.333 0.000 0.853 446 N CB -0.349 38.331 38.487 0.321 0.000 1.008 446 N HN 0.287 nan 8.380 nan 0.000 0.424 447 Y N 1.500 121.931 120.300 0.219 0.000 2.163 447 Y HA -0.025 4.525 4.550 0.000 0.000 0.288 447 Y C 1.915 177.819 175.900 0.007 0.000 1.136 447 Y CA 1.568 59.682 58.100 0.023 0.000 1.147 447 Y CB -0.525 37.884 38.460 -0.084 0.000 0.987 447 Y HN 0.227 nan 8.280 nan 0.000 0.509 448 E N -0.282 119.964 120.200 0.078 0.000 2.077 448 E HA -0.231 4.119 4.350 0.000 0.000 0.193 448 E C 2.301 178.890 176.600 -0.017 0.000 0.989 448 E CA 1.187 57.589 56.400 0.004 0.000 0.800 448 E CB -0.178 29.572 29.700 0.084 0.000 0.746 448 E HN 0.468 nan 8.360 nan 0.000 0.452 449 R N -0.173 120.341 120.500 0.024 0.000 2.120 449 R HA -0.122 4.219 4.340 0.000 0.000 0.234 449 R C 1.610 177.829 176.300 -0.136 0.000 1.123 449 R CA 1.226 57.288 56.100 -0.063 0.000 0.975 449 R CB -0.166 30.072 30.300 -0.102 0.000 0.866 449 R HN 0.300 nan 8.270 nan 0.000 0.446 450 H N -0.958 118.114 119.070 0.004 0.000 2.551 450 H HA 0.152 4.708 4.556 0.000 0.000 0.271 450 H C 1.627 176.842 175.328 -0.188 0.000 0.984 450 H CA 0.119 56.175 56.048 0.012 0.000 1.164 450 H CB 0.315 30.229 29.762 0.254 0.000 1.437 450 H HN 0.064 nan 8.280 nan 0.000 0.550 451 M N 0.308 119.736 119.600 -0.286 0.000 2.080 451 M HA -0.217 4.263 4.480 0.000 0.000 0.260 451 M C 1.284 177.259 176.300 -0.542 0.000 1.068 451 M CA 1.812 56.721 55.300 -0.652 0.000 1.109 451 M CB 0.148 32.271 32.600 -0.795 0.000 1.342 451 M HN 0.284 nan 8.290 nan 0.000 0.405 452 D N 0.052 120.307 120.400 -0.241 0.000 2.117 452 D HA -0.156 4.484 4.640 0.000 0.000 0.197 452 D C 1.875 178.163 176.300 -0.021 0.000 0.987 452 D CA 1.350 55.307 54.000 -0.071 0.000 0.829 452 D CB -0.138 40.713 40.800 0.084 0.000 0.961 452 D HN 0.431 nan 8.370 nan 0.000 0.460 453 K N 0.706 121.114 120.400 0.013 0.000 2.148 453 K HA -0.049 4.271 4.320 0.000 0.000 0.204 453 K C 2.122 178.800 176.600 0.130 0.000 1.050 453 K CA 0.935 57.282 56.287 0.101 0.000 0.942 453 K CB 0.026 32.597 32.500 0.119 0.000 0.724 453 K HN -0.005 nan 8.250 nan 0.000 0.446 454 A N 0.547 123.386 122.820 0.032 0.000 1.898 454 A HA -0.153 4.167 4.320 0.000 0.000 0.216 454 A C 1.770 179.482 177.584 0.213 0.000 1.181 454 A CA 1.219 53.313 52.037 0.095 0.000 0.620 454 A CB -0.616 18.293 19.000 -0.151 0.000 0.819 454 A HN 0.213 nan 8.150 nan 0.000 0.442 455 Y N -0.408 119.805 120.300 -0.145 0.000 2.242 455 Y HA -0.124 4.427 4.550 0.000 0.000 0.291 455 Y C 2.582 178.289 175.900 -0.321 0.000 1.137 455 Y CA 1.317 59.164 58.100 -0.421 0.000 1.181 455 Y CB -0.894 36.866 38.460 -1.167 0.000 0.989 455 Y HN 0.454 nan 8.280 nan 0.000 0.527 456 Q N -0.249 119.561 119.800 0.017 0.000 2.119 456 Q HA -0.177 4.163 4.340 0.000 0.000 0.201 456 Q C 2.134 178.267 176.000 0.221 0.000 0.972 456 Q CA 1.410 57.342 55.803 0.215 0.000 0.847 456 Q CB -0.826 28.069 28.738 0.261 0.000 0.903 456 Q HN 0.432 nan 8.270 nan 0.000 0.433 457 F N -0.332 119.687 119.950 0.115 0.000 2.171 457 F HA -0.130 4.397 4.527 0.000 0.000 0.300 457 F C 1.826 177.700 175.800 0.124 0.000 1.090 457 F CA 1.369 59.448 58.000 0.132 0.000 1.293 457 F CB -0.040 39.053 39.000 0.155 0.000 1.013 457 F HN 0.098 nan 8.300 nan 0.000 0.486 458 M N -0.123 119.611 119.600 0.223 0.000 2.086 458 M HA -0.189 4.291 4.480 0.000 0.000 0.261 458 M C 2.513 178.869 176.300 0.093 0.000 1.067 458 M CA 1.790 57.174 55.300 0.140 0.000 1.116 458 M CB -0.713 31.949 32.600 0.104 0.000 1.348 458 M HN 0.291 nan 8.290 nan 0.000 0.407 459 A N 0.294 123.160 122.820 0.077 0.000 1.902 459 A HA -0.193 4.127 4.320 0.000 0.000 0.217 459 A C 1.653 179.245 177.584 0.014 0.000 1.181 459 A CA 2.047 54.120 52.037 0.060 0.000 0.623 459 A CB -0.771 18.313 19.000 0.140 0.000 0.818 459 A HN 0.418 nan 8.150 nan 0.000 0.443 460 D N 0.001 120.398 120.400 -0.005 0.000 2.310 460 D HA -0.051 4.589 4.640 0.000 0.000 0.212 460 D C 0.577 176.819 176.300 -0.096 0.000 0.965 460 D CA 0.728 54.706 54.000 -0.037 0.000 0.879 460 D CB -0.182 40.595 40.800 -0.038 0.000 0.921 460 D HN 0.445 nan 8.370 nan 0.000 0.510 461 N N -0.444 118.133 118.700 -0.205 0.000 2.282 461 N HA 0.169 4.910 4.740 0.000 0.000 0.240 461 N C 0.751 175.737 175.510 -0.873 0.000 1.182 461 N CA 0.216 53.061 53.050 -0.343 0.000 0.874 461 N CB 1.580 39.855 38.487 -0.354 0.000 1.126 461 N HN 0.064 nan 8.380 nan 0.000 0.516 462 G N 0.995 109.462 108.800 -0.556 0.000 2.179 462 G HA2 -0.311 3.649 3.960 0.000 0.000 0.257 462 G HA3 -0.311 3.649 3.960 0.000 0.000 0.257 462 G C -0.524 174.111 174.900 -0.442 0.000 1.010 462 G CA 0.123 44.882 45.100 -0.568 0.000 0.736 462 G HN 0.402 nan 8.290 nan 0.000 0.513 463 Y N 0.791 120.936 120.300 -0.258 0.000 2.367 463 Y HA 0.394 4.945 4.550 0.000 0.000 0.342 463 Y C 1.413 177.245 175.900 -0.115 0.000 0.979 463 Y CA -0.430 57.569 58.100 -0.169 0.000 1.161 463 Y CB 0.994 39.364 38.460 -0.150 0.000 1.155 463 Y HN 0.255 nan 8.280 nan 0.000 0.503 464 N N 0.339 119.066 118.700 0.046 0.000 2.220 464 N HA 0.032 4.772 4.740 0.000 0.000 0.195 464 N C -0.481 175.048 175.510 0.032 0.000 1.123 464 N CA 0.095 53.162 53.050 0.028 0.000 0.874 464 N CB 0.591 39.100 38.487 0.037 0.000 0.995 464 N HN 0.432 nan 8.380 nan 0.000 0.498 465 S N -0.627 115.084 115.700 0.019 0.000 2.546 465 S HA 0.650 5.120 4.470 0.000 0.000 0.274 465 S C -1.095 173.478 174.600 -0.045 0.000 1.121 465 S CA -0.752 57.438 58.200 -0.016 0.000 0.887 465 S CB 2.403 65.571 63.200 -0.054 0.000 1.094 465 S HN 0.016 nan 8.310 nan 0.000 0.474 466 V N 1.691 121.568 119.914 -0.062 0.000 2.760 466 V HA 0.696 4.816 4.120 0.000 0.000 0.309 466 V C -1.168 174.907 176.094 -0.031 0.000 1.077 466 V CA -0.735 61.506 62.300 -0.098 0.000 0.910 466 V CB 1.883 33.593 31.823 -0.187 0.000 1.008 466 V HN 1.116 nan 8.190 nan 0.000 0.424 467 K N 4.614 125.011 120.400 -0.006 0.000 2.263 467 K HA 0.644 4.964 4.320 0.000 0.000 0.272 467 K C -0.084 176.594 176.600 0.129 0.000 1.033 467 K CA -0.210 56.111 56.287 0.057 0.000 0.884 467 K CB 1.172 33.681 32.500 0.015 0.000 1.107 467 K HN 0.915 nan 8.250 nan 0.000 0.460 468 S N 2.062 117.847 115.700 0.143 0.000 2.722 468 S HA 0.860 5.330 4.470 0.000 0.000 0.292 468 S C 0.075 174.733 174.600 0.096 0.000 1.135 468 S CA -0.760 57.486 58.200 0.078 0.000 1.003 468 S CB 1.806 65.114 63.200 0.179 0.000 1.067 468 S HN 0.695 nan 8.310 nan 0.000 0.546 469 G N -0.765 107.958 108.800 -0.129 0.000 2.704 469 G HA2 0.593 4.553 3.960 0.000 0.000 0.293 469 G HA3 0.593 4.553 3.960 0.000 0.000 0.293 469 G C -2.055 172.701 174.900 -0.239 0.000 1.421 469 G CA -0.719 44.421 45.100 0.067 0.000 0.870 469 G HN 0.651 nan 8.290 nan 0.000 0.492 470 Y N 0.835 121.354 120.300 0.365 0.000 2.501 470 Y HA 0.342 4.892 4.550 0.000 0.000 0.331 470 Y C 0.233 176.399 175.900 0.443 0.000 0.950 470 Y CA -0.655 57.672 58.100 0.379 0.000 1.120 470 Y CB 1.458 40.209 38.460 0.484 0.000 1.154 470 Y HN 0.324 nan 8.280 nan 0.000 0.630 471 V N 1.889 122.069 119.914 0.443 0.000 2.455 471 V HA 0.754 4.874 4.120 0.000 0.000 0.273 471 V C 0.679 176.886 176.094 0.188 0.000 1.045 471 V CA 0.392 62.923 62.300 0.385 0.000 0.976 471 V CB 0.464 32.599 31.823 0.521 0.000 0.993 471 V HN 0.784 nan 8.190 nan 0.000 0.475 472 G N 4.540 113.428 108.800 0.145 0.000 2.381 472 G HA2 -0.116 3.844 3.960 0.000 0.000 0.672 472 G HA3 -0.116 3.844 3.960 0.000 0.000 0.672 472 G C -0.835 174.146 174.900 0.135 0.000 1.324 472 G CA -0.947 44.146 45.100 -0.012 0.000 0.975 472 G HN 0.694 nan 8.290 nan 0.000 0.593 473 N N 0.154 118.875 118.700 0.034 0.000 2.513 473 N HA 0.375 5.115 4.740 0.000 0.000 0.268 473 N C 0.993 176.489 175.510 -0.024 0.000 1.180 473 N CA -0.675 52.409 53.050 0.055 0.000 0.948 473 N CB 0.691 39.181 38.487 0.004 0.000 1.083 473 N HN 0.462 nan 8.380 nan 0.000 0.455 474 I N 2.657 123.168 120.570 -0.100 0.000 2.815 474 I HA -0.055 4.116 4.170 0.000 0.000 0.291 474 I C 0.411 176.472 176.117 -0.093 0.000 1.209 474 I CA 0.713 61.928 61.300 -0.143 0.000 1.431 474 I CB -0.287 37.590 38.000 -0.205 0.000 1.351 474 I HN 0.470 nan 8.210 nan 0.000 0.585 475 I N 7.396 127.931 120.570 -0.058 0.000 2.447 475 I HA 0.240 4.411 4.170 0.000 0.000 0.287 475 I C -2.177 173.930 176.117 -0.017 0.000 1.023 475 I CA -1.981 59.289 61.300 -0.048 0.000 1.083 475 I CB 2.226 40.210 38.000 -0.028 0.000 1.245 475 I HN 0.332 nan 8.210 nan 0.000 0.434 476 P HA -0.020 nan 4.420 nan 0.000 0.260 476 P C -0.721 176.486 177.300 -0.155 0.000 1.172 476 P CA 0.125 63.156 63.100 -0.115 0.000 0.760 476 P CB 0.317 31.897 31.700 -0.200 0.000 0.773 477 R N 2.579 122.997 120.500 -0.138 0.000 2.449 477 R HA 0.357 4.697 4.340 0.000 0.000 0.296 477 R C 1.493 177.688 176.300 -0.175 0.000 1.047 477 R CA 0.643 56.660 56.100 -0.138 0.000 1.018 477 R CB -0.215 30.023 30.300 -0.105 0.000 0.962 477 R HN 0.834 nan 8.270 nan 0.000 0.428 478 G N 1.650 110.328 108.800 -0.202 0.000 2.428 478 G HA2 -0.182 3.778 3.960 0.000 0.000 0.199 478 G HA3 -0.182 3.778 3.960 0.000 0.000 0.199 478 G C 0.023 174.699 174.900 -0.373 0.000 1.005 478 G CA -0.584 44.371 45.100 -0.240 0.000 0.671 478 G HN 0.481 nan 8.290 nan 0.000 0.485 479 E N 1.196 121.189 120.200 -0.344 0.000 2.349 479 E HA 0.527 4.877 4.350 0.000 0.000 0.262 479 E C -0.177 176.196 176.600 -0.379 0.000 1.088 479 E CA -0.272 55.926 56.400 -0.336 0.000 0.899 479 E CB 0.612 30.180 29.700 -0.219 0.000 1.044 479 E HN 0.519 nan 8.360 nan 0.000 0.420 480 H N 0.308 119.381 119.070 0.006 0.000 2.595 480 H HA 0.182 4.738 4.556 0.000 0.000 0.346 480 H C 0.720 176.069 175.328 0.035 0.000 1.181 480 H CA -0.426 55.656 56.048 0.056 0.000 1.242 480 H CB 0.951 30.781 29.762 0.113 0.000 1.652 480 H HN 0.541 nan 8.280 nan 0.000 0.548 481 H N 0.632 119.721 119.070 0.032 0.000 2.421 481 H HA -0.121 4.435 4.556 0.000 0.000 0.298 481 H C 0.393 175.847 175.328 0.210 0.000 1.087 481 H CA 1.639 57.681 56.048 -0.010 0.000 1.330 481 H CB 0.160 29.747 29.762 -0.292 0.000 1.388 481 H HN 0.446 nan 8.280 nan 0.000 0.526 482 Y N -0.698 119.910 120.300 0.513 0.000 2.607 482 Y HA 0.361 4.911 4.550 0.000 0.000 0.266 482 Y C 1.413 177.502 175.900 0.316 0.000 1.178 482 Y CA -0.533 57.825 58.100 0.430 0.000 1.226 482 Y CB -0.345 38.379 38.460 0.441 0.000 1.144 482 Y HN 0.040 nan 8.280 nan 0.000 0.528 483 G N 0.038 109.051 108.800 0.355 0.000 2.599 483 G HA2 0.045 4.005 3.960 0.000 0.000 0.264 483 G HA3 0.045 4.005 3.960 0.000 0.000 0.264 483 G C 0.899 175.929 174.900 0.218 0.000 1.200 483 G CA -0.325 44.917 45.100 0.236 0.000 0.896 483 G HN 0.325 nan 8.290 nan 0.000 0.536 484 Q N -0.736 119.159 119.800 0.158 0.000 2.152 484 Q HA -0.164 4.176 4.340 0.000 0.000 0.206 484 Q C 1.969 178.062 176.000 0.155 0.000 0.985 484 Q CA 1.602 57.489 55.803 0.140 0.000 0.863 484 Q CB -0.158 28.637 28.738 0.094 0.000 0.904 484 Q HN 0.809 nan 8.270 nan 0.000 0.422 485 W N 0.238 121.524 121.300 -0.024 0.000 2.333 485 W HA -0.235 4.425 4.660 0.000 0.000 0.316 485 W C 1.672 178.135 176.519 -0.092 0.000 1.215 485 W CA 1.113 58.416 57.345 -0.070 0.000 1.278 485 W CB -0.121 29.279 29.460 -0.099 0.000 1.154 485 W HN 0.284 nan 8.180 nan 0.000 0.486 486 M N 0.865 120.505 119.600 0.066 0.000 2.254 486 M HA -0.165 4.316 4.480 0.000 0.000 0.265 486 M C 1.504 177.576 176.300 -0.380 0.000 1.066 486 M CA 1.229 56.376 55.300 -0.255 0.000 1.123 486 M CB -1.813 30.675 32.600 -0.187 0.000 1.388 486 M HN -0.002 nan 8.290 nan 0.000 0.425 487 N N 0.896 119.610 118.700 0.024 0.000 2.166 487 N HA -0.164 4.576 4.740 0.000 0.000 0.186 487 N C 1.463 177.006 175.510 0.056 0.000 1.019 487 N CA 0.984 54.153 53.050 0.197 0.000 0.856 487 N CB -0.698 37.932 38.487 0.239 0.000 0.993 487 N HN 0.448 nan 8.380 nan 0.000 0.426 488 N N 0.861 119.522 118.700 -0.065 0.000 2.084 488 N HA -0.200 4.540 4.740 0.000 0.000 0.190 488 N C 1.737 177.155 175.510 -0.153 0.000 1.030 488 N CA 1.238 54.214 53.050 -0.123 0.000 0.849 488 N CB -0.278 38.058 38.487 -0.252 0.000 1.012 488 N HN 0.369 nan 8.380 nan 0.000 0.423 489 H N -0.250 118.610 119.070 -0.351 0.000 2.319 489 H HA -0.138 4.418 4.556 0.000 0.000 0.299 489 H C 1.527 176.826 175.328 -0.050 0.000 1.092 489 H CA 2.257 58.145 56.048 -0.267 0.000 1.302 489 H CB -0.526 28.989 29.762 -0.411 0.000 1.373 489 H HN 0.224 nan 8.280 nan 0.000 0.497 490 Y N -0.418 119.830 120.300 -0.086 0.000 2.165 490 Y HA -0.151 4.399 4.550 0.000 0.000 0.286 490 Y C 2.551 178.413 175.900 -0.064 0.000 1.155 490 Y CA 1.153 59.211 58.100 -0.070 0.000 1.164 490 Y CB -0.903 37.590 38.460 0.055 0.000 0.978 490 Y HN 0.297 nan 8.280 nan 0.000 0.513 491 L N -1.164 120.118 121.223 0.099 0.000 2.109 491 L HA -0.160 4.181 4.340 0.000 0.000 0.207 491 L C 2.245 179.081 176.870 -0.057 0.000 1.086 491 L CA 1.439 56.286 54.840 0.012 0.000 0.760 491 L CB -1.114 40.958 42.059 0.022 0.000 0.910 491 L HN 0.285 nan 8.230 nan 0.000 0.437 492 Y N 0.403 120.595 120.300 -0.179 0.000 2.165 492 Y HA -0.246 4.304 4.550 0.000 0.000 0.286 492 Y C 2.357 178.169 175.900 -0.147 0.000 1.155 492 Y CA 1.824 59.817 58.100 -0.179 0.000 1.164 492 Y CB -0.646 37.686 38.460 -0.213 0.000 0.978 492 Y HN 0.226 nan 8.280 nan 0.000 0.513 493 A N -0.742 121.946 122.820 -0.219 0.000 1.933 493 A HA -0.130 4.190 4.320 0.000 0.000 0.218 493 A C 2.356 179.940 177.584 -0.001 0.000 1.175 493 A CA 1.960 53.904 52.037 -0.155 0.000 0.628 493 A CB -1.253 17.731 19.000 -0.028 0.000 0.814 493 A HN 0.353 nan 8.150 nan 0.000 0.444 494 V N -0.037 119.863 119.914 -0.024 0.000 2.379 494 V HA -0.213 3.907 4.120 0.000 0.000 0.245 494 V C 2.421 178.448 176.094 -0.112 0.000 1.044 494 V CA 2.196 64.484 62.300 -0.019 0.000 1.036 494 V CB -0.556 31.258 31.823 -0.016 0.000 0.664 494 V HN 0.532 nan 8.190 nan 0.000 0.453 495 K N 0.087 120.337 120.400 -0.250 0.000 2.057 495 K HA -0.198 4.122 4.320 0.000 0.000 0.206 495 K C 2.273 178.813 176.600 -0.100 0.000 1.050 495 K CA 1.403 57.539 56.287 -0.252 0.000 0.935 495 K CB -0.180 32.149 32.500 -0.284 0.000 0.715 495 K HN 0.317 nan 8.250 nan 0.000 0.439 496 K N 0.963 121.278 120.400 -0.143 0.000 2.057 496 K HA -0.100 4.221 4.320 0.000 0.000 0.206 496 K C 2.122 178.789 176.600 0.111 0.000 1.050 496 K CA 1.114 57.388 56.287 -0.021 0.000 0.935 496 K CB -0.067 32.353 32.500 -0.132 0.000 0.715 496 K HN 0.102 nan 8.250 nan 0.000 0.439 497 A N 1.189 123.989 122.820 -0.033 0.000 1.940 497 A HA -0.133 4.187 4.320 0.000 0.000 0.219 497 A C 2.312 179.836 177.584 -0.100 0.000 1.176 497 A CA 1.890 53.714 52.037 -0.355 0.000 0.631 497 A CB -0.769 18.038 19.000 -0.322 0.000 0.814 497 A HN 0.482 nan 8.150 nan 0.000 0.446 498 A N 0.011 122.866 122.820 0.058 0.000 1.978 498 A HA -0.196 4.124 4.320 0.000 0.000 0.220 498 A C 1.697 179.273 177.584 -0.014 0.000 1.170 498 A CA 1.824 53.975 52.037 0.191 0.000 0.636 498 A CB -0.542 18.656 19.000 0.330 0.000 0.810 498 A HN 0.486 nan 8.150 nan 0.000 0.448 499 D N -1.525 118.862 120.400 -0.022 0.000 2.219 499 D HA -0.116 4.524 4.640 0.000 0.000 0.205 499 D C 0.900 177.023 176.300 -0.296 0.000 0.970 499 D CA 1.164 55.083 54.000 -0.135 0.000 0.851 499 D CB -0.241 40.478 40.800 -0.135 0.000 0.943 499 D HN 0.681 nan 8.370 nan 0.000 0.488 500 Y N 0.480 120.620 120.300 -0.267 0.000 2.457 500 Y HA 0.072 4.623 4.550 0.000 0.000 0.263 500 Y C 0.354 175.970 175.900 -0.473 0.000 1.164 500 Y CA -0.221 57.701 58.100 -0.297 0.000 1.274 500 Y CB 0.368 38.667 38.460 -0.268 0.000 1.097 500 Y HN -0.293 nan 8.280 nan 0.000 0.523 501 K N 0.225 120.233 120.400 -0.654 0.000 3.150 501 K HA -0.201 4.119 4.320 0.000 0.000 0.267 501 K C -0.797 175.332 176.600 -0.785 0.000 1.028 501 K CA 0.637 56.024 56.287 -1.499 0.000 0.753 501 K CB -2.387 29.375 32.500 -1.230 0.000 1.288 501 K HN 0.430 nan 8.250 nan 0.000 0.473 502 I N 0.677 121.037 120.570 -0.349 0.000 2.441 502 I HA 0.335 4.505 4.170 0.000 0.000 0.295 502 I C 0.756 176.989 176.117 0.193 0.000 0.994 502 I CA -0.856 60.401 61.300 -0.071 0.000 1.144 502 I CB 1.436 39.252 38.000 -0.306 0.000 1.314 502 I HN -0.008 nan 8.210 nan 0.000 0.445 503 M N 5.309 125.032 119.600 0.206 0.000 2.277 503 M HA 0.488 4.968 4.480 0.000 0.000 0.350 503 M C -0.866 175.481 176.300 0.078 0.000 1.180 503 M CA -0.727 54.682 55.300 0.182 0.000 1.103 503 M CB 1.928 34.600 32.600 0.120 0.000 1.577 503 M HN 0.225 nan 8.290 nan 0.000 0.459 504 V N 2.367 122.341 119.914 0.100 0.000 2.604 504 V HA 0.432 4.553 4.120 0.000 0.000 0.305 504 V C -0.664 175.494 176.094 0.107 0.000 1.043 504 V CA -0.772 61.593 62.300 0.108 0.000 0.888 504 V CB 1.969 33.888 31.823 0.160 0.000 0.995 504 V HN 0.874 nan 8.190 nan 0.000 0.429 505 N N 3.131 121.899 118.700 0.113 0.000 2.617 505 N HA 0.568 5.308 4.740 0.000 0.000 0.263 505 N C -0.710 174.950 175.510 0.251 0.000 1.074 505 N CA -0.180 52.953 53.050 0.139 0.000 0.841 505 N CB 1.584 40.107 38.487 0.060 0.000 1.221 505 N HN 0.874 nan 8.380 nan 0.000 0.529 506 A N 3.479 126.475 122.820 0.295 0.000 2.249 506 A HA 0.375 4.695 4.320 0.000 0.000 0.314 506 A C -0.392 177.459 177.584 0.446 0.000 1.290 506 A CA -0.523 51.748 52.037 0.390 0.000 0.893 506 A CB 0.066 19.294 19.000 0.379 0.000 1.165 506 A HN 0.796 nan 8.150 nan 0.000 0.530 507 H N 1.135 120.389 119.070 0.307 0.000 2.505 507 H HA 0.227 4.783 4.556 0.000 0.000 0.351 507 H C 0.094 175.667 175.328 0.409 0.000 1.151 507 H CA 0.092 56.329 56.048 0.315 0.000 1.339 507 H CB 0.887 30.844 29.762 0.324 0.000 1.483 507 H HN 0.934 nan 8.280 nan 0.000 0.558 508 E N -1.524 118.928 120.200 0.420 0.000 3.680 508 E HA -0.227 4.123 4.350 0.000 0.000 0.309 508 E C -0.268 176.549 176.600 0.361 0.000 0.793 508 E CA 0.758 57.400 56.400 0.403 0.000 1.083 508 E CB -1.163 28.849 29.700 0.520 0.000 1.548 508 E HN 0.681 nan 8.360 nan 0.000 0.456 509 A N 0.055 122.947 122.820 0.120 0.000 2.280 509 A HA 0.552 4.872 4.320 0.000 0.000 0.268 509 A C 0.627 178.120 177.584 -0.151 0.000 1.111 509 A CA 0.225 51.965 52.037 -0.495 0.000 0.814 509 A CB 0.477 19.006 19.000 -0.784 0.000 1.093 509 A HN 0.064 nan 8.150 nan 0.000 0.498 510 T N 1.468 115.890 114.554 -0.220 0.000 2.934 510 T HA 0.309 4.660 4.350 0.000 0.000 0.306 510 T C 0.585 175.236 174.700 -0.083 0.000 1.042 510 T CA 0.231 62.329 62.100 -0.004 0.000 1.145 510 T CB -0.067 68.928 68.868 0.211 0.000 0.982 510 T HN 0.721 nan 8.240 nan 0.000 0.544 511 R N 4.207 124.626 120.500 -0.135 0.000 2.640 511 R HA 0.225 4.565 4.340 0.000 0.000 0.270 511 R C -2.453 173.877 176.300 0.049 0.000 1.024 511 R CA -1.177 54.911 56.100 -0.020 0.000 1.085 511 R CB -0.828 29.466 30.300 -0.009 0.000 0.963 511 R HN 0.300 nan 8.270 nan 0.000 0.426 512 P HA 0.002 nan 4.420 nan 0.000 0.269 512 P C -0.439 176.942 177.300 0.137 0.000 1.209 512 P CA -0.127 63.044 63.100 0.119 0.000 0.776 512 P CB 0.961 32.745 31.700 0.140 0.000 0.876 513 T N -2.881 111.724 114.554 0.084 0.000 3.460 513 T HA 0.464 4.814 4.350 0.000 0.000 0.304 513 T C 0.930 175.635 174.700 0.008 0.000 0.991 513 T CA 0.153 62.252 62.100 -0.003 0.000 0.975 513 T CB -0.707 68.114 68.868 -0.079 0.000 1.196 513 T HN 0.689 nan 8.240 nan 0.000 0.490 514 G N 1.626 110.462 108.800 0.060 0.000 2.157 514 G HA2 -0.248 3.712 3.960 0.000 0.000 0.239 514 G HA3 -0.248 3.712 3.960 0.000 0.000 0.239 514 G C 0.734 175.658 174.900 0.039 0.000 0.982 514 G CA 0.129 45.255 45.100 0.043 0.000 0.650 514 G HN 0.597 nan 8.290 nan 0.000 0.527 515 I N 1.305 121.923 120.570 0.081 0.000 2.700 515 I HA -0.194 3.977 4.170 0.000 0.000 0.261 515 I C 3.042 179.232 176.117 0.122 0.000 1.219 515 I CA 1.360 62.727 61.300 0.111 0.000 1.463 515 I CB -0.523 37.581 38.000 0.173 0.000 1.092 515 I HN 0.636 nan 8.210 nan 0.000 0.452 516 C N 0.148 119.519 119.300 0.118 0.000 2.419 516 C HA -0.121 4.339 4.460 0.000 0.000 0.283 516 C C 2.846 177.789 174.990 -0.080 0.000 1.373 516 C CA 0.335 59.411 59.018 0.097 0.000 1.781 516 C CB -1.507 26.326 27.740 0.156 0.000 1.886 516 C HN 0.524 nan 8.230 nan 0.000 0.520 517 R N 1.479 121.922 120.500 -0.096 0.000 2.075 517 R HA -0.110 4.230 4.340 0.000 0.000 0.232 517 R C 2.078 178.241 176.300 -0.230 0.000 1.126 517 R CA 2.181 58.179 56.100 -0.170 0.000 0.963 517 R CB -0.522 29.636 30.300 -0.236 0.000 0.858 517 R HN 0.615 nan 8.270 nan 0.000 0.435 518 T N -0.850 113.574 114.554 -0.218 0.000 2.851 518 T HA -0.060 4.290 4.350 0.000 0.000 0.262 518 T C -0.146 174.197 174.700 -0.595 0.000 1.043 518 T CA 1.049 62.915 62.100 -0.391 0.000 1.140 518 T CB -0.030 68.635 68.868 -0.339 0.000 0.872 518 T HN 0.188 nan 8.240 nan 0.000 0.446 519 Y N 0.581 120.881 120.300 -0.001 0.000 2.787 519 Y HA 0.359 4.909 4.550 0.000 0.000 0.352 519 Y C -2.290 173.646 175.900 0.060 0.000 1.027 519 Y CA -2.984 55.142 58.100 0.043 0.000 1.219 519 Y CB 1.444 39.954 38.460 0.083 0.000 1.110 519 Y HN 0.058 nan 8.280 nan 0.000 0.614 520 P HA -0.143 nan 4.420 nan 0.000 0.226 520 P C 1.022 178.514 177.300 0.321 0.000 1.146 520 P CA 1.265 64.416 63.100 0.085 0.000 0.773 520 P CB 0.284 31.909 31.700 -0.125 0.000 0.772 521 N N -0.275 118.554 118.700 0.214 0.000 2.467 521 N HA -0.065 4.675 4.740 0.000 0.000 0.184 521 N C 0.484 176.144 175.510 0.251 0.000 1.106 521 N CA 0.249 53.419 53.050 0.199 0.000 0.892 521 N CB -0.612 38.052 38.487 0.296 0.000 0.969 521 N HN 0.148 nan 8.380 nan 0.000 0.454 522 L N 2.414 123.824 121.223 0.312 0.000 2.387 522 L HA 0.258 4.599 4.340 0.000 0.000 0.267 522 L C 1.080 178.142 176.870 0.320 0.000 1.197 522 L CA -0.362 54.643 54.840 0.275 0.000 1.070 522 L CB -0.345 41.879 42.059 0.274 0.000 1.349 522 L HN 0.198 nan 8.230 nan 0.000 0.422 523 I N 0.290 120.936 120.570 0.126 0.000 3.564 523 I HA 0.494 4.664 4.170 0.000 0.000 0.294 523 I C 0.759 176.777 176.117 -0.165 0.000 1.289 523 I CA 0.239 61.431 61.300 -0.181 0.000 1.325 523 I CB -0.423 37.355 38.000 -0.370 0.000 1.039 523 I HN 0.562 nan 8.210 nan 0.000 0.474 524 G N 0.458 109.269 108.800 0.019 0.000 2.489 524 G HA2 0.498 4.458 3.960 0.000 0.000 0.291 524 G HA3 0.498 4.458 3.960 0.000 0.000 0.291 524 G C -2.110 172.858 174.900 0.112 0.000 1.487 524 G CA -0.832 44.292 45.100 0.041 0.000 0.795 524 G HN 0.281 nan 8.290 nan 0.000 0.513 525 N N -1.104 117.653 118.700 0.095 0.000 2.591 525 N HA 0.398 5.138 4.740 0.000 0.000 0.263 525 N C 0.412 175.914 175.510 -0.012 0.000 1.308 525 N CA -0.790 52.313 53.050 0.089 0.000 0.837 525 N CB 3.218 41.752 38.487 0.078 0.000 1.548 525 N HN 0.617 nan 8.380 nan 0.000 0.493 526 E N 0.158 120.271 120.200 -0.146 0.000 2.068 526 E HA 0.165 4.516 4.350 0.000 0.000 0.201 526 E C -0.457 176.128 176.600 -0.024 0.000 0.947 526 E CA 0.420 56.668 56.400 -0.254 0.000 0.909 526 E CB 0.123 29.443 29.700 -0.633 0.000 1.015 526 E HN 0.514 nan 8.360 nan 0.000 0.484 527 S N -0.096 115.619 115.700 0.024 0.000 3.614 527 S HA -0.147 4.323 4.470 0.000 0.000 0.360 527 S C -0.360 174.288 174.600 0.081 0.000 1.023 527 S CA 0.441 58.684 58.200 0.071 0.000 1.114 527 S CB -1.886 61.339 63.200 0.042 0.000 0.907 527 S HN 0.707 nan 8.310 nan 0.000 0.470 528 A N -0.023 122.860 122.820 0.104 0.000 2.452 528 A HA 0.709 5.029 4.320 0.000 0.000 0.294 528 A C -0.520 177.159 177.584 0.159 0.000 1.010 528 A CA -0.790 51.330 52.037 0.138 0.000 0.613 528 A CB 0.680 19.793 19.000 0.187 0.000 1.363 528 A HN 0.308 nan 8.150 nan 0.000 0.463 529 R N 0.444 121.059 120.500 0.191 0.000 2.288 529 R HA 0.441 4.781 4.340 0.000 0.000 0.330 529 R C 0.562 177.096 176.300 0.390 0.000 1.069 529 R CA 0.865 57.033 56.100 0.113 0.000 0.941 529 R CB 0.295 30.530 30.300 -0.108 0.000 0.998 529 R HN 1.048 nan 8.270 nan 0.000 0.452 530 G N 1.057 110.042 108.800 0.307 0.000 2.642 530 G HA2 0.056 4.016 3.960 0.000 0.000 0.291 530 G HA3 0.056 4.016 3.960 0.000 0.000 0.291 530 G C 0.541 175.371 174.900 -0.117 0.000 1.345 530 G CA -0.432 44.719 45.100 0.085 0.000 1.043 530 G HN 0.546 nan 8.290 nan 0.000 0.528 531 T N 0.232 114.443 114.554 -0.572 0.000 2.849 531 T HA -0.133 4.217 4.350 0.000 0.000 0.270 531 T C 2.212 176.937 174.700 0.043 0.000 1.066 531 T CA 1.921 63.836 62.100 -0.308 0.000 1.130 531 T CB -0.260 68.390 68.868 -0.363 0.000 0.864 531 T HN 0.770 nan 8.240 nan 0.000 0.481 532 E N 0.215 120.506 120.200 0.151 0.000 2.171 532 E HA -0.223 4.127 4.350 0.000 0.000 0.197 532 E C 1.396 177.572 176.600 -0.706 0.000 0.997 532 E CA 1.361 57.705 56.400 -0.092 0.000 0.810 532 E CB -0.649 29.086 29.700 0.059 0.000 0.738 532 E HN 0.564 nan 8.360 nan 0.000 0.467 533 Y N 1.504 121.630 120.300 -0.290 0.000 2.571 533 Y HA -0.008 4.542 4.550 0.000 0.000 0.294 533 Y C 1.953 177.778 175.900 -0.126 0.000 1.141 533 Y CA 0.847 58.838 58.100 -0.183 0.000 1.308 533 Y CB 0.208 38.705 38.460 0.062 0.000 1.002 533 Y HN 0.045 nan 8.280 nan 0.000 0.551 534 E N -1.056 119.144 120.200 0.001 0.000 2.418 534 E HA -0.124 4.226 4.350 0.000 0.000 0.197 534 E C 1.961 178.572 176.600 0.019 0.000 1.026 534 E CA 0.828 57.257 56.400 0.048 0.000 0.862 534 E CB 0.046 29.803 29.700 0.094 0.000 0.799 534 E HN 0.262 nan 8.360 nan 0.000 0.518 535 S N -0.888 114.705 115.700 -0.178 0.000 2.511 535 S HA 0.118 4.588 4.470 0.000 0.000 0.214 535 S C 0.876 175.436 174.600 -0.067 0.000 0.997 535 S CA -0.404 57.631 58.200 -0.274 0.000 0.908 535 S CB 0.054 62.826 63.200 -0.714 0.000 0.803 535 S HN 0.163 nan 8.310 nan 0.000 0.504 536 F N 1.074 120.976 119.950 -0.081 0.000 2.750 536 F HA 0.411 4.938 4.527 0.000 0.000 0.297 536 F C 1.698 177.517 175.800 0.030 0.000 1.138 536 F CA -0.167 57.786 58.000 -0.079 0.000 1.346 536 F CB 0.762 39.630 39.000 -0.219 0.000 0.965 536 F HN 0.418 nan 8.300 nan 0.000 0.514 537 G N 0.033 108.945 108.800 0.187 0.000 2.380 537 G HA2 0.122 4.083 3.960 0.000 0.000 0.197 537 G HA3 0.122 4.083 3.960 0.000 0.000 0.197 537 G C 0.361 175.324 174.900 0.105 0.000 1.001 537 G CA -0.319 44.866 45.100 0.143 0.000 0.668 537 G HN 1.021 nan 8.290 nan 0.000 0.483 538 G N -0.575 108.286 108.800 0.102 0.000 2.587 538 G HA2 0.308 4.269 3.960 0.000 0.000 0.686 538 G HA3 0.308 4.269 3.960 0.000 0.000 0.686 538 G C -0.951 173.948 174.900 -0.001 0.000 1.236 538 G CA 0.010 45.129 45.100 0.031 0.000 0.820 538 G HN 0.961 nan 8.290 nan 0.000 0.645 539 N N 0.282 118.939 118.700 -0.071 0.000 2.430 539 N HA 0.458 5.198 4.740 0.000 0.000 0.298 539 N C 0.337 175.715 175.510 -0.221 0.000 1.130 539 N CA -0.592 52.364 53.050 -0.157 0.000 0.894 539 N CB 1.353 39.747 38.487 -0.155 0.000 1.209 539 N HN 0.672 nan 8.380 nan 0.000 0.503 540 K N 0.337 120.584 120.400 -0.256 0.000 2.469 540 K HA 0.045 4.366 4.320 0.000 0.000 0.274 540 K C 1.010 177.388 176.600 -0.370 0.000 0.983 540 K CA -0.258 55.796 56.287 -0.388 0.000 0.974 540 K CB 0.655 32.798 32.500 -0.595 0.000 0.913 540 K HN 0.206 nan 8.250 nan 0.000 0.493 541 V N 2.336 121.958 119.914 -0.486 0.000 2.453 541 V HA -0.273 3.847 4.120 0.000 0.000 0.252 541 V C 1.653 177.675 176.094 -0.121 0.000 1.068 541 V CA 1.709 63.772 62.300 -0.395 0.000 1.070 541 V CB -0.852 30.732 31.823 -0.399 0.000 0.664 541 V HN 0.755 nan 8.190 nan 0.000 0.461 542 Y N -1.270 119.022 120.300 -0.013 0.000 2.490 542 Y HA 0.226 4.777 4.550 0.000 0.000 0.281 542 Y C 2.055 177.975 175.900 0.034 0.000 1.174 542 Y CA -0.192 57.915 58.100 0.012 0.000 1.295 542 Y CB -1.677 36.799 38.460 0.028 0.000 1.062 542 Y HN 0.330 nan 8.280 nan 0.000 0.522 543 H N 2.241 121.467 119.070 0.261 0.000 2.289 543 H HA -0.200 4.356 4.556 0.000 0.000 0.294 543 H C 1.992 177.344 175.328 0.039 0.000 1.095 543 H CA 3.090 59.263 56.048 0.209 0.000 1.256 543 H CB -0.471 29.383 29.762 0.152 0.000 1.359 543 H HN 0.453 nan 8.280 nan 0.000 0.487 544 T N -2.877 111.644 114.554 -0.055 0.000 3.163 544 T HA -0.082 4.268 4.350 0.000 0.000 0.260 544 T C 1.662 176.238 174.700 -0.207 0.000 1.156 544 T CA 1.073 63.020 62.100 -0.256 0.000 1.072 544 T CB -0.651 68.072 68.868 -0.242 0.000 0.937 544 T HN 0.553 nan 8.240 nan 0.000 0.528 545 T N -1.529 112.954 114.554 -0.118 0.000 3.086 545 T HA 0.399 4.750 4.350 0.000 0.000 0.250 545 T C 1.497 176.105 174.700 -0.154 0.000 1.074 545 T CA -0.264 61.766 62.100 -0.117 0.000 0.988 545 T CB -0.393 68.427 68.868 -0.080 0.000 0.988 545 T HN 0.488 nan 8.240 nan 0.000 0.530 546 I N -0.430 119.991 120.570 -0.249 0.000 3.812 546 I HA 0.243 4.414 4.170 0.000 0.000 0.292 546 I C 2.107 177.976 176.117 -0.413 0.000 1.206 546 I CA -0.049 61.016 61.300 -0.392 0.000 1.370 546 I CB 0.053 37.690 38.000 -0.605 0.000 1.328 546 I HN 0.093 nan 8.210 nan 0.000 0.453 547 L N 1.721 122.670 121.223 -0.458 0.000 2.051 547 L HA -0.193 4.148 4.340 0.000 0.000 0.214 547 L C -0.504 176.199 176.870 -0.278 0.000 1.076 547 L CA 2.033 56.650 54.840 -0.372 0.000 0.758 547 L CB -1.858 39.950 42.059 -0.419 0.000 0.890 547 L HN 0.192 nan 8.230 nan 0.000 0.433 548 P HA -0.149 nan 4.420 nan 0.000 0.220 548 P C 1.239 178.275 177.300 -0.440 0.000 1.148 548 P CA 1.382 64.264 63.100 -0.364 0.000 0.803 548 P CB 0.013 31.440 31.700 -0.456 0.000 0.782 549 F N -1.207 118.536 119.950 -0.345 0.000 2.743 549 F HA 0.019 4.546 4.527 0.000 0.000 0.297 549 F C 1.985 177.601 175.800 -0.308 0.000 1.131 549 F CA 1.177 58.963 58.000 -0.357 0.000 1.426 549 F CB -0.676 38.047 39.000 -0.463 0.000 1.116 549 F HN 0.017 nan 8.300 nan 0.000 0.583 550 T N -3.020 111.454 114.554 -0.132 0.000 3.364 550 T HA 0.139 4.489 4.350 0.000 0.000 0.179 550 T C 1.850 176.474 174.700 -0.127 0.000 0.939 550 T CA 0.060 62.083 62.100 -0.127 0.000 1.094 550 T CB -0.358 68.462 68.868 -0.080 0.000 1.532 550 T HN -0.134 nan 8.240 nan 0.000 0.346 551 R N 1.585 122.059 120.500 -0.043 0.000 2.096 551 R HA 0.108 4.448 4.340 0.000 0.000 0.240 551 R C 2.312 178.601 176.300 -0.019 0.000 1.139 551 R CA 1.729 57.828 56.100 -0.002 0.000 0.952 551 R CB -1.643 28.691 30.300 0.057 0.000 0.854 551 R HN 0.619 nan 8.270 nan 0.000 0.436 552 L N 0.418 121.609 121.223 -0.052 0.000 2.362 552 L HA 0.017 4.357 4.340 0.000 0.000 0.219 552 L C 0.270 177.146 176.870 0.010 0.000 1.134 552 L CA 0.093 54.928 54.840 -0.009 0.000 0.807 552 L CB -0.249 41.787 42.059 -0.038 0.000 0.927 552 L HN -0.047 nan 8.230 nan 0.000 0.447 553 V N 1.225 121.112 119.914 -0.046 0.000 2.421 553 V HA 0.310 4.430 4.120 0.000 0.000 0.271 553 V C 1.151 177.324 176.094 0.131 0.000 1.031 553 V CA 0.958 63.252 62.300 -0.009 0.000 1.032 553 V CB 0.155 31.929 31.823 -0.081 0.000 1.009 553 V HN 0.605 nan 8.190 nan 0.000 0.477 554 G N 3.344 112.227 108.800 0.139 0.000 2.284 554 G HA2 0.210 4.170 3.960 0.000 0.000 0.201 554 G HA3 0.210 4.170 3.960 0.000 0.000 0.201 554 G C 0.385 175.382 174.900 0.163 0.000 0.998 554 G CA -0.244 44.956 45.100 0.167 0.000 0.651 554 G HN 1.825 nan 8.290 nan 0.000 0.489 555 G N -0.452 108.457 108.800 0.181 0.000 2.358 555 G HA2 0.609 4.569 3.960 0.000 0.000 0.303 555 G HA3 0.609 4.569 3.960 0.000 0.000 0.303 555 G C -3.236 171.804 174.900 0.233 0.000 1.537 555 G CA 0.180 45.427 45.100 0.244 0.000 0.928 555 G HN 0.544 nan 8.290 nan 0.000 0.656 556 P HA 0.393 nan 4.420 nan 0.000 0.272 556 P C -0.366 176.967 177.300 0.056 0.000 1.240 556 P CA -0.234 62.938 63.100 0.120 0.000 0.791 556 P CB 1.224 32.898 31.700 -0.043 0.000 0.978 557 M N 1.237 120.844 119.600 0.011 0.000 2.465 557 M HA 0.279 4.759 4.480 0.000 0.000 0.316 557 M C -0.805 175.516 176.300 0.035 0.000 1.121 557 M CA -0.688 54.634 55.300 0.036 0.000 0.934 557 M CB 1.675 34.315 32.600 0.066 0.000 1.692 557 M HN 0.096 nan 8.290 nan 0.000 0.444 558 D N 2.654 123.084 120.400 0.050 0.000 2.522 558 D HA 0.056 4.697 4.640 0.000 0.000 0.218 558 D C 0.037 176.394 176.300 0.096 0.000 1.149 558 D CA 0.146 54.199 54.000 0.088 0.000 0.981 558 D CB -0.005 40.901 40.800 0.177 0.000 1.041 558 D HN 0.564 nan 8.370 nan 0.000 0.518 559 Y N 2.860 123.141 120.300 -0.031 0.000 2.516 559 Y HA -0.005 4.545 4.550 0.000 0.000 0.291 559 Y C 1.094 176.986 175.900 -0.013 0.000 1.131 559 Y CA 1.385 59.478 58.100 -0.012 0.000 1.281 559 Y CB -0.234 38.198 38.460 -0.046 0.000 1.013 559 Y HN 0.444 nan 8.280 nan 0.000 0.554 560 T N -0.542 113.962 114.554 -0.083 0.000 3.580 560 T HA -0.147 4.203 4.350 0.000 0.000 0.402 560 T C -2.336 172.263 174.700 -0.168 0.000 0.765 560 T CA 0.205 62.191 62.100 -0.191 0.000 2.064 560 T CB -2.041 66.629 68.868 -0.330 0.000 1.724 560 T HN 0.355 nan 8.240 nan 0.000 0.719 561 P HA 0.557 nan 4.420 nan 0.000 0.297 561 P C 1.273 178.578 177.300 0.008 0.000 1.303 561 P CA 0.953 64.009 63.100 -0.074 0.000 0.753 561 P CB 0.076 31.639 31.700 -0.228 0.000 1.281 562 G N -1.410 107.475 108.800 0.143 0.000 2.131 562 G HA2 -0.133 3.827 3.960 0.000 0.000 0.201 562 G HA3 -0.133 3.827 3.960 0.000 0.000 0.201 562 G C -0.111 174.804 174.900 0.024 0.000 1.000 562 G CA -0.508 44.750 45.100 0.264 0.000 0.680 562 G HN 0.388 nan 8.290 nan 0.000 0.514 563 I N 1.317 121.867 120.570 -0.034 0.000 2.337 563 I HA 0.368 4.538 4.170 0.000 0.000 0.291 563 I C 1.102 177.312 176.117 0.154 0.000 1.046 563 I CA -0.676 60.521 61.300 -0.172 0.000 1.324 563 I CB 0.230 38.065 38.000 -0.275 0.000 1.409 563 I HN -0.057 nan 8.210 nan 0.000 0.494 564 F N 3.200 123.040 119.950 -0.183 0.000 2.374 564 F HA 0.073 4.600 4.527 0.000 0.000 0.291 564 F C 1.481 177.162 175.800 -0.199 0.000 1.084 564 F CA 0.316 58.182 58.000 -0.223 0.000 1.413 564 F CB -0.254 38.596 39.000 -0.250 0.000 1.099 564 F HN 0.373 nan 8.300 nan 0.000 0.534 565 E N 0.963 121.230 120.200 0.112 0.000 1.936 565 E HA 0.114 4.464 4.350 0.000 0.000 0.267 565 E C 0.979 177.664 176.600 0.142 0.000 1.076 565 E CA -0.064 56.428 56.400 0.154 0.000 0.870 565 E CB 0.230 30.042 29.700 0.188 0.000 1.093 565 E HN 0.255 nan 8.360 nan 0.000 0.411 566 T N 0.810 115.418 114.554 0.091 0.000 3.098 566 T HA -0.064 4.286 4.350 0.000 0.000 0.266 566 T C 0.526 175.213 174.700 -0.021 0.000 1.145 566 T CA 0.528 62.650 62.100 0.037 0.000 1.092 566 T CB -0.226 68.631 68.868 -0.017 0.000 0.908 566 T HN 0.341 nan 8.240 nan 0.000 0.526 567 H N 0.520 119.678 119.070 0.146 0.000 2.741 567 H HA 0.310 4.867 4.556 0.000 0.000 0.282 567 H C 0.794 176.185 175.328 0.105 0.000 1.122 567 H CA -0.963 55.157 56.048 0.120 0.000 1.293 567 H CB 0.718 30.537 29.762 0.095 0.000 1.415 567 H HN 0.282 nan 8.280 nan 0.000 0.472 568 C N 2.473 121.874 119.300 0.169 0.000 2.422 568 C HA -0.154 4.306 4.460 0.000 0.000 0.286 568 C C 2.220 177.230 174.990 0.032 0.000 1.412 568 C CA 0.874 59.932 59.018 0.068 0.000 1.786 568 C CB -1.057 26.665 27.740 -0.030 0.000 1.835 568 C HN 0.807 nan 8.230 nan 0.000 0.533 569 N N 1.402 120.150 118.700 0.081 0.000 2.519 569 N HA -0.131 4.609 4.740 0.000 0.000 0.186 569 N C 1.194 176.719 175.510 0.023 0.000 1.062 569 N CA 1.065 54.137 53.050 0.038 0.000 0.910 569 N CB -0.578 37.936 38.487 0.045 0.000 0.958 569 N HN 0.492 nan 8.380 nan 0.000 0.445 570 K N -0.795 119.638 120.400 0.055 0.000 2.305 570 K HA 0.182 4.502 4.320 0.000 0.000 0.199 570 K C 1.345 177.951 176.600 0.010 0.000 1.047 570 K CA 0.468 56.781 56.287 0.042 0.000 0.976 570 K CB 0.063 32.615 32.500 0.086 0.000 0.765 570 K HN 0.210 nan 8.250 nan 0.000 0.474 571 M N 0.283 119.875 119.600 -0.013 0.000 2.325 571 M HA 0.020 4.500 4.480 0.000 0.000 0.265 571 M C 0.325 176.563 176.300 -0.103 0.000 1.094 571 M CA 0.886 56.143 55.300 -0.072 0.000 1.161 571 M CB -0.451 32.057 32.600 -0.154 0.000 1.358 571 M HN -0.026 nan 8.290 nan 0.000 0.446 572 N N 0.719 119.359 118.700 -0.100 0.000 2.549 572 N HA 0.227 4.967 4.740 0.000 0.000 0.290 572 N C -2.324 173.150 175.510 -0.059 0.000 1.122 572 N CA -1.594 51.398 53.050 -0.096 0.000 0.885 572 N CB 1.905 40.309 38.487 -0.138 0.000 1.455 572 N HN -0.189 nan 8.380 nan 0.000 0.521 573 P HA -0.137 nan 4.420 nan 0.000 0.218 573 P C 0.668 177.954 177.300 -0.023 0.000 1.146 573 P CA 0.987 64.071 63.100 -0.027 0.000 0.813 573 P CB 0.288 31.972 31.700 -0.026 0.000 0.778 574 A N -1.120 121.680 122.820 -0.033 0.000 2.208 574 A HA -0.012 4.308 4.320 0.000 0.000 0.209 574 A C 1.253 178.823 177.584 -0.023 0.000 1.161 574 A CA 0.193 52.214 52.037 -0.027 0.000 0.782 574 A CB -0.822 18.158 19.000 -0.034 0.000 0.816 574 A HN 0.128 nan 8.150 nan 0.000 0.477 575 N N 0.882 119.563 118.700 -0.030 0.000 2.485 575 N HA 0.174 4.915 4.740 0.000 0.000 0.243 575 N C -0.544 174.973 175.510 0.010 0.000 0.987 575 N CA -0.205 52.830 53.050 -0.024 0.000 0.940 575 N CB 0.152 38.596 38.487 -0.072 0.000 1.122 575 N HN 0.362 nan 8.380 nan 0.000 0.509 576 N N 0.706 119.427 118.700 0.034 0.000 2.268 576 N HA -0.018 4.722 4.740 0.000 0.000 0.204 576 N C -0.073 175.495 175.510 0.097 0.000 1.124 576 N CA -0.198 52.893 53.050 0.069 0.000 0.838 576 N CB 0.432 38.956 38.487 0.062 0.000 0.994 576 N HN 0.310 nan 8.380 nan 0.000 0.489 577 S N 0.947 116.693 115.700 0.077 0.000 2.572 577 S HA 0.043 4.513 4.470 0.000 0.000 0.279 577 S C -0.258 174.406 174.600 0.107 0.000 1.341 577 S CA -0.088 58.165 58.200 0.088 0.000 1.043 577 S CB 0.955 64.192 63.200 0.062 0.000 0.887 577 S HN 0.236 nan 8.310 nan 0.000 0.516 578 Q N 3.331 123.201 119.800 0.117 0.000 2.321 578 Q HA 0.456 4.796 4.340 0.000 0.000 0.270 578 Q C -1.445 174.615 176.000 0.100 0.000 1.032 578 Q CA -0.829 55.030 55.803 0.093 0.000 0.784 578 Q CB 1.599 30.412 28.738 0.126 0.000 1.264 578 Q HN 0.569 nan 8.270 nan 0.000 0.448 579 V N 4.536 124.497 119.914 0.078 0.000 2.529 579 V HA 0.084 4.204 4.120 0.000 0.000 0.292 579 V C 0.569 176.695 176.094 0.053 0.000 1.028 579 V CA 0.327 62.667 62.300 0.066 0.000 1.074 579 V CB 0.474 32.347 31.823 0.083 0.000 0.958 579 V HN 0.698 nan 8.190 nan 0.000 0.481 580 R N 3.594 124.008 120.500 -0.143 0.000 3.710 580 R HA 0.391 4.731 4.340 0.000 0.000 0.201 580 R C 0.079 176.239 176.300 -0.232 0.000 1.641 580 R CA 0.135 55.923 56.100 -0.520 0.000 1.390 580 R CB 0.249 29.968 30.300 -0.968 0.000 1.341 580 R HN 0.700 nan 8.270 nan 0.000 0.728 581 S N 0.036 115.793 115.700 0.095 0.000 2.578 581 S HA 0.293 4.763 4.470 0.000 0.000 0.272 581 S C -0.476 174.246 174.600 0.202 0.000 1.145 581 S CA -0.703 57.578 58.200 0.135 0.000 0.835 581 S CB 1.633 64.885 63.200 0.086 0.000 1.104 581 S HN 0.426 nan 8.310 nan 0.000 0.458 582 T N 0.763 115.416 114.554 0.166 0.000 2.912 582 T HA 0.580 4.931 4.350 0.000 0.000 0.280 582 T C 1.637 176.375 174.700 0.064 0.000 0.989 582 T CA -0.810 61.366 62.100 0.128 0.000 0.995 582 T CB 0.532 69.479 68.868 0.131 0.000 1.077 582 T HN 0.528 nan 8.240 nan 0.000 0.531 583 I N 0.827 121.390 120.570 -0.012 0.000 2.226 583 I HA -0.117 4.053 4.170 0.000 0.000 0.245 583 I C 2.989 179.044 176.117 -0.104 0.000 1.100 583 I CA 1.527 62.731 61.300 -0.159 0.000 1.374 583 I CB -0.735 36.971 38.000 -0.491 0.000 1.057 583 I HN 0.889 nan 8.210 nan 0.000 0.413 584 A N 0.527 123.324 122.820 -0.039 0.000 1.940 584 A HA -0.241 4.080 4.320 0.000 0.000 0.219 584 A C 2.444 180.042 177.584 0.024 0.000 1.176 584 A CA 1.431 53.471 52.037 0.004 0.000 0.631 584 A CB -0.579 18.479 19.000 0.096 0.000 0.814 584 A HN 0.292 nan 8.150 nan 0.000 0.446 585 R N -0.718 119.808 120.500 0.044 0.000 2.115 585 R HA -0.100 4.240 4.340 0.000 0.000 0.230 585 R C 1.937 178.277 176.300 0.066 0.000 1.111 585 R CA 1.290 57.410 56.100 0.033 0.000 0.976 585 R CB -0.279 30.047 30.300 0.045 0.000 0.870 585 R HN 0.537 nan 8.270 nan 0.000 0.445 586 Q N 0.568 120.441 119.800 0.121 0.000 2.124 586 Q HA -0.102 4.238 4.340 0.000 0.000 0.202 586 Q C 2.270 178.455 176.000 0.309 0.000 0.977 586 Q CA 1.065 56.991 55.803 0.206 0.000 0.850 586 Q CB -0.176 28.745 28.738 0.305 0.000 0.901 586 Q HN 0.396 nan 8.270 nan 0.000 0.429 587 L N -0.110 121.277 121.223 0.274 0.000 2.056 587 L HA -0.124 4.216 4.340 0.000 0.000 0.207 587 L C 2.442 179.482 176.870 0.282 0.000 1.078 587 L CA 0.988 56.025 54.840 0.328 0.000 0.749 587 L CB -0.708 41.329 42.059 -0.037 0.000 0.901 587 L HN 0.096 nan 8.230 nan 0.000 0.433 588 A N 0.393 123.252 122.820 0.065 0.000 1.978 588 A HA -0.169 4.151 4.320 0.000 0.000 0.220 588 A C 2.229 179.851 177.584 0.062 0.000 1.170 588 A CA 1.345 53.387 52.037 0.008 0.000 0.636 588 A CB -0.723 18.219 19.000 -0.097 0.000 0.810 588 A HN 0.396 nan 8.150 nan 0.000 0.448 589 L N -2.050 119.192 121.223 0.031 0.000 2.261 589 L HA -0.208 4.133 4.340 0.000 0.000 0.216 589 L C 2.144 178.936 176.870 -0.131 0.000 1.114 589 L CA 1.054 55.837 54.840 -0.096 0.000 0.777 589 L CB -0.686 41.281 42.059 -0.152 0.000 0.910 589 L HN 0.471 nan 8.230 nan 0.000 0.440 590 Y N -1.113 119.268 120.300 0.135 0.000 2.574 590 Y HA -0.118 4.432 4.550 0.000 0.000 0.294 590 Y C 2.134 178.126 175.900 0.153 0.000 1.142 590 Y CA 0.597 58.779 58.100 0.136 0.000 1.314 590 Y CB -0.090 38.459 38.460 0.148 0.000 0.991 590 Y HN -0.057 nan 8.280 nan 0.000 0.555 591 V N -2.022 118.023 119.914 0.219 0.000 3.151 591 V HA -0.084 4.036 4.120 0.000 0.000 0.241 591 V C 2.061 178.131 176.094 -0.039 0.000 1.173 591 V CA 1.502 63.850 62.300 0.079 0.000 1.154 591 V CB -0.108 31.781 31.823 0.110 0.000 0.898 591 V HN 0.421 nan 8.190 nan 0.000 0.473 592 T N -2.780 111.745 114.554 -0.048 0.000 3.081 592 T HA 0.143 4.493 4.350 0.000 0.000 0.255 592 T C 0.799 175.425 174.700 -0.124 0.000 1.113 592 T CA 0.478 62.515 62.100 -0.105 0.000 1.082 592 T CB -0.041 68.749 68.868 -0.131 0.000 0.939 592 T HN 0.112 nan 8.240 nan 0.000 0.506 593 M N 2.411 121.942 119.600 -0.115 0.000 2.325 593 M HA 0.352 4.832 4.480 0.000 0.000 0.305 593 M C -0.920 175.348 176.300 -0.053 0.000 1.047 593 M CA -1.794 53.419 55.300 -0.146 0.000 0.981 593 M CB -0.010 32.434 32.600 -0.259 0.000 1.307 593 M HN 0.324 nan 8.290 nan 0.000 0.418 594 Y N 1.812 122.076 120.300 -0.060 0.000 2.811 594 Y HA 0.217 4.767 4.550 0.000 0.000 0.334 594 Y C 0.081 176.018 175.900 0.061 0.000 1.247 594 Y CA 0.928 59.046 58.100 0.030 0.000 1.526 594 Y CB 0.479 38.960 38.460 0.034 0.000 1.284 594 Y HN 0.675 nan 8.280 nan 0.000 0.586 595 S N 6.692 121.726 115.700 -1.111 0.000 2.604 595 S HA 0.282 4.752 4.470 0.000 0.000 0.296 595 S C -2.599 171.594 174.600 -0.679 0.000 1.097 595 S CA -0.771 56.884 58.200 -0.909 0.000 0.883 595 S CB 1.502 64.480 63.200 -0.369 0.000 1.081 595 S HN 0.533 nan 8.310 nan 0.000 0.448 596 P HA 0.203 nan 4.420 nan 0.000 0.249 596 P C -0.021 177.041 177.300 -0.397 0.000 1.229 596 P CA 0.108 62.896 63.100 -0.520 0.000 0.788 596 P CB 0.030 31.185 31.700 -0.908 0.000 1.072 597 L N 0.956 121.987 121.223 -0.321 0.000 2.345 597 L HA 0.442 4.783 4.340 0.000 0.000 0.274 597 L C -0.929 175.951 176.870 0.018 0.000 0.999 597 L CA -0.272 54.489 54.840 -0.131 0.000 0.849 597 L CB 1.285 43.257 42.059 -0.145 0.000 1.220 597 L HN -0.242 nan 8.230 nan 0.000 0.422 598 Q N 5.829 125.703 119.800 0.124 0.000 2.310 598 Q HA 0.417 4.758 4.340 0.000 0.000 0.270 598 Q C -1.060 175.025 176.000 0.141 0.000 1.025 598 Q CA -0.288 55.599 55.803 0.141 0.000 0.772 598 Q CB 2.853 31.694 28.738 0.171 0.000 1.253 598 Q HN 0.764 nan 8.270 nan 0.000 0.450 599 M N 1.324 120.866 119.600 -0.096 0.000 2.423 599 M HA 0.656 5.136 4.480 0.000 0.000 0.335 599 M C -1.020 175.252 176.300 -0.047 0.000 1.177 599 M CA -0.582 54.402 55.300 -0.527 0.000 1.038 599 M CB 1.558 33.548 32.600 -1.016 0.000 1.641 599 M HN 0.669 nan 8.290 nan 0.000 0.455 600 A N 3.222 126.034 122.820 -0.013 0.000 2.394 600 A HA 0.652 4.973 4.320 0.000 0.000 0.333 600 A C 0.497 178.119 177.584 0.064 0.000 1.397 600 A CA -0.320 51.816 52.037 0.166 0.000 0.884 600 A CB 0.105 19.186 19.000 0.135 0.000 1.147 600 A HN 1.036 nan 8.150 nan 0.000 0.505 601 A N 1.653 124.468 122.820 -0.007 0.000 2.066 601 A HA 0.031 4.351 4.320 0.000 0.000 0.218 601 A C 1.061 178.506 177.584 -0.231 0.000 1.157 601 A CA 0.820 52.809 52.037 -0.080 0.000 0.670 601 A CB -0.178 18.758 19.000 -0.108 0.000 0.804 601 A HN 0.681 nan 8.150 nan 0.000 0.453 602 D N -0.106 120.052 120.400 -0.404 0.000 2.384 602 D HA 0.308 4.948 4.640 0.000 0.000 0.244 602 D C 0.529 176.521 176.300 -0.514 0.000 1.251 602 D CA -0.200 53.364 54.000 -0.728 0.000 0.961 602 D CB 0.486 40.590 40.800 -1.160 0.000 1.116 602 D HN 0.402 nan 8.370 nan 0.000 0.484 603 I N -2.002 118.310 120.570 -0.431 0.000 2.662 603 I HA 0.252 4.422 4.170 0.000 0.000 0.291 603 I C -1.868 173.868 176.117 -0.635 0.000 1.046 603 I CA -1.691 59.401 61.300 -0.348 0.000 1.361 603 I CB 0.867 38.777 38.000 -0.151 0.000 1.429 603 I HN 0.100 nan 8.210 nan 0.000 0.558 604 P HA -0.208 nan 4.420 nan 0.000 0.216 604 P C 1.075 178.015 177.300 -0.600 0.000 1.154 604 P CA 1.716 64.127 63.100 -1.148 0.000 0.865 604 P CB 0.126 31.058 31.700 -1.281 0.000 0.789 605 E N -1.157 118.812 120.200 -0.386 0.000 2.160 605 E HA -0.168 4.182 4.350 0.000 0.000 0.195 605 E C 1.775 178.284 176.600 -0.152 0.000 0.991 605 E CA 1.042 57.325 56.400 -0.196 0.000 0.810 605 E CB -0.672 28.946 29.700 -0.136 0.000 0.742 605 E HN 0.284 nan 8.360 nan 0.000 0.466 606 N N -0.580 117.981 118.700 -0.232 0.000 2.300 606 N HA -0.095 4.645 4.740 0.000 0.000 0.179 606 N C 1.258 176.763 175.510 -0.008 0.000 1.016 606 N CA 0.798 53.785 53.050 -0.105 0.000 0.876 606 N CB -0.104 38.274 38.487 -0.182 0.000 0.979 606 N HN 0.243 nan 8.380 nan 0.000 0.432 607 Y N 1.778 121.960 120.300 -0.196 0.000 2.314 607 Y HA 0.032 4.582 4.550 0.000 0.000 0.293 607 Y C 2.218 178.068 175.900 -0.084 0.000 1.129 607 Y CA 0.504 58.416 58.100 -0.313 0.000 1.201 607 Y CB -0.174 37.656 38.460 -1.051 0.000 0.999 607 Y HN -0.006 nan 8.280 nan 0.000 0.541 608 E N 0.276 120.522 120.200 0.077 0.000 2.153 608 E HA -0.174 4.176 4.350 0.000 0.000 0.194 608 E C 2.147 178.780 176.600 0.055 0.000 0.988 608 E CA 0.887 57.348 56.400 0.103 0.000 0.811 608 E CB -0.218 29.527 29.700 0.076 0.000 0.746 608 E HN 0.507 nan 8.360 nan 0.000 0.466 609 R N -0.566 119.925 120.500 -0.016 0.000 2.115 609 R HA -0.049 4.291 4.340 0.000 0.000 0.230 609 R C 0.610 176.616 176.300 -0.490 0.000 1.111 609 R CA 0.798 56.718 56.100 -0.300 0.000 0.976 609 R CB -0.014 30.005 30.300 -0.470 0.000 0.870 609 R HN 0.074 nan 8.270 nan 0.000 0.445 610 F N -0.684 119.426 119.950 0.267 0.000 2.679 610 F HA 0.267 4.794 4.527 0.000 0.000 0.354 610 F C 0.972 177.003 175.800 0.385 0.000 1.423 610 F CA -0.471 57.725 58.000 0.327 0.000 1.141 610 F CB 0.667 39.833 39.000 0.277 0.000 1.168 610 F HN -0.215 nan 8.300 nan 0.000 0.530 611 M N 0.584 120.424 119.600 0.401 0.000 2.202 611 M HA -0.172 4.308 4.480 0.000 0.000 0.262 611 M C 1.909 178.460 176.300 0.418 0.000 1.063 611 M CA 1.488 57.025 55.300 0.394 0.000 1.097 611 M CB -0.758 32.002 32.600 0.266 0.000 1.382 611 M HN 0.377 nan 8.290 nan 0.000 0.413 612 D N 0.022 120.653 120.400 0.385 0.000 2.117 612 D HA -0.099 4.541 4.640 0.000 0.000 0.198 612 D C 1.776 178.343 176.300 0.445 0.000 0.982 612 D CA 1.666 55.891 54.000 0.375 0.000 0.828 612 D CB -0.714 40.296 40.800 0.349 0.000 0.967 612 D HN 0.284 nan 8.370 nan 0.000 0.464 613 A N -0.108 122.938 122.820 0.378 0.000 1.968 613 A HA -0.012 4.309 4.320 0.000 0.000 0.217 613 A C 1.975 179.768 177.584 0.349 0.000 1.169 613 A CA 0.751 52.894 52.037 0.177 0.000 0.638 613 A CB -1.147 17.527 19.000 -0.542 0.000 0.812 613 A HN 0.218 nan 8.150 nan 0.000 0.446 614 F N 0.846 121.023 119.950 0.380 0.000 2.333 614 F HA -0.164 4.363 4.527 0.000 0.000 0.300 614 F C 2.183 178.022 175.800 0.065 0.000 1.083 614 F CA 1.717 59.881 58.000 0.274 0.000 1.395 614 F CB -0.355 38.770 39.000 0.208 0.000 1.056 614 F HN 0.331 nan 8.300 nan 0.000 0.529 615 Q N -0.253 119.634 119.800 0.147 0.000 2.181 615 Q HA -0.265 4.076 4.340 0.000 0.000 0.205 615 Q C 2.053 177.978 176.000 -0.124 0.000 0.980 615 Q CA 2.025 57.847 55.803 0.031 0.000 0.862 615 Q CB -0.898 27.996 28.738 0.260 0.000 0.905 615 Q HN 0.486 nan 8.270 nan 0.000 0.429 616 F N -0.255 119.462 119.950 -0.390 0.000 2.146 616 F HA -0.070 4.458 4.527 0.000 0.000 0.298 616 F C 1.650 177.158 175.800 -0.487 0.000 1.096 616 F CA 1.197 58.885 58.000 -0.520 0.000 1.275 616 F CB -0.112 38.304 39.000 -0.973 0.000 1.008 616 F HN 0.095 nan 8.300 nan 0.000 0.480 617 I N 0.122 120.333 120.570 -0.598 0.000 2.286 617 I HA -0.306 3.864 4.170 0.000 0.000 0.248 617 I C 2.201 177.729 176.117 -0.983 0.000 1.115 617 I CA 1.374 62.109 61.300 -0.943 0.000 1.392 617 I CB -0.530 36.922 38.000 -0.913 0.000 1.065 617 I HN 0.121 nan 8.210 nan 0.000 0.418 618 K N 0.555 120.402 120.400 -0.922 0.000 2.057 618 K HA -0.158 4.162 4.320 0.000 0.000 0.206 618 K C 1.603 177.846 176.600 -0.594 0.000 1.050 618 K CA 1.433 57.253 56.287 -0.779 0.000 0.935 618 K CB -0.105 32.061 32.500 -0.557 0.000 0.715 618 K HN 0.271 nan 8.250 nan 0.000 0.439 619 D N 0.565 120.662 120.400 -0.505 0.000 2.162 619 D HA -0.057 4.583 4.640 0.000 0.000 0.203 619 D C 0.628 176.587 176.300 -0.568 0.000 0.967 619 D CA 0.289 54.069 54.000 -0.366 0.000 0.840 619 D CB -0.272 40.461 40.800 -0.112 0.000 0.972 619 D HN -0.107 nan 8.370 nan 0.000 0.482 620 V N 1.076 120.433 119.914 -0.929 0.000 2.720 620 V HA 0.189 4.309 4.120 0.000 0.000 0.307 620 V C 0.419 175.984 176.094 -0.883 0.000 1.071 620 V CA -0.273 61.305 62.300 -1.203 0.000 1.199 620 V CB 0.556 31.747 31.823 -1.053 0.000 0.900 620 V HN 0.196 nan 8.190 nan 0.000 0.494 621 A N 5.955 128.180 122.820 -0.990 0.000 2.259 621 A HA 0.632 4.952 4.320 0.000 0.000 0.278 621 A C 0.588 177.722 177.584 -0.750 0.000 1.107 621 A CA -0.275 51.267 52.037 -0.824 0.000 0.828 621 A CB 0.582 19.002 19.000 -0.967 0.000 1.111 621 A HN 0.947 nan 8.150 nan 0.000 0.498 622 L N -1.375 119.391 121.223 -0.761 0.000 2.878 622 L HA 0.309 4.650 4.340 0.000 0.000 0.253 622 L C -0.211 176.275 176.870 -0.640 0.000 1.135 622 L CA 0.181 54.714 54.840 -0.512 0.000 0.943 622 L CB 0.348 42.207 42.059 -0.334 0.000 1.307 622 L HN 0.639 nan 8.230 nan 0.000 0.545 623 D N -0.941 118.848 120.400 -1.018 0.000 2.732 623 D HA 0.444 5.084 4.640 0.000 0.000 0.229 623 D C -1.786 173.886 176.300 -1.046 0.000 1.152 623 D CA -0.208 53.351 54.000 -0.735 0.000 0.854 623 D CB 1.730 42.354 40.800 -0.293 0.000 1.590 623 D HN -0.139 nan 8.370 nan 0.000 0.468 624 W N 1.439 122.743 121.300 0.005 0.000 2.936 624 W HA 0.388 5.049 4.660 0.000 0.000 0.338 624 W C 0.581 177.023 176.519 -0.129 0.000 1.121 624 W CA -0.624 56.668 57.345 -0.088 0.000 1.209 624 W CB 1.273 30.665 29.460 -0.115 0.000 1.420 624 W HN 0.173 nan 8.180 nan 0.000 0.516 625 D N 0.316 120.746 120.400 0.050 0.000 2.327 625 D HA -0.010 4.631 4.640 0.000 0.000 0.205 625 D C -0.141 176.115 176.300 -0.072 0.000 0.989 625 D CA 1.028 55.003 54.000 -0.042 0.000 0.873 625 D CB 0.730 41.484 40.800 -0.077 0.000 0.955 625 D HN 0.548 nan 8.370 nan 0.000 0.515 626 E N -0.854 119.279 120.200 -0.111 0.000 2.372 626 E HA 0.355 4.705 4.350 0.000 0.000 0.279 626 E C -1.587 174.872 176.600 -0.236 0.000 0.946 626 E CA -0.529 55.777 56.400 -0.158 0.000 0.769 626 E CB 1.797 31.413 29.700 -0.141 0.000 1.230 626 E HN -0.273 nan 8.360 nan 0.000 0.442 627 T N 2.863 117.266 114.554 -0.251 0.000 2.928 627 T HA 0.426 4.776 4.350 0.000 0.000 0.296 627 T C -1.160 173.264 174.700 -0.460 0.000 1.000 627 T CA -0.742 61.096 62.100 -0.437 0.000 0.989 627 T CB 0.883 69.389 68.868 -0.604 0.000 1.005 627 T HN 0.435 nan 8.240 nan 0.000 0.442 628 N N 2.046 120.465 118.700 -0.469 0.000 2.443 628 N HA 0.328 5.068 4.740 0.000 0.000 0.269 628 N C -1.404 173.799 175.510 -0.511 0.000 0.985 628 N CA -0.603 52.205 53.050 -0.403 0.000 0.921 628 N CB 1.430 39.712 38.487 -0.343 0.000 1.195 628 N HN 0.490 nan 8.380 nan 0.000 0.492 629 Y N 2.817 123.022 120.300 -0.158 0.000 2.556 629 Y HA 0.145 4.695 4.550 0.000 0.000 0.352 629 Y C 1.360 177.191 175.900 -0.115 0.000 1.006 629 Y CA -0.398 57.607 58.100 -0.158 0.000 1.277 629 Y CB 0.371 38.728 38.460 -0.171 0.000 1.136 629 Y HN 0.472 nan 8.280 nan 0.000 0.523 630 L N 1.390 122.598 121.223 -0.026 0.000 2.068 630 L HA 0.030 4.370 4.340 0.000 0.000 0.204 630 L C 0.350 177.253 176.870 0.055 0.000 1.076 630 L CA 1.226 56.062 54.840 -0.006 0.000 0.753 630 L CB -0.001 42.039 42.059 -0.032 0.000 0.910 630 L HN 0.497 nan 8.230 nan 0.000 0.439 631 E N -1.054 119.196 120.200 0.083 0.000 2.331 631 E HA 0.709 5.059 4.350 0.000 0.000 0.275 631 E C -1.251 175.438 176.600 0.149 0.000 0.895 631 E CA -0.556 55.941 56.400 0.162 0.000 0.753 631 E CB 2.675 32.495 29.700 0.200 0.000 1.216 631 E HN 0.111 nan 8.360 nan 0.000 0.434 632 A N 2.386 125.283 122.820 0.127 0.000 2.512 632 A HA 0.542 4.862 4.320 0.000 0.000 0.294 632 A C -1.611 175.803 177.584 -0.283 0.000 1.054 632 A CA -0.579 51.430 52.037 -0.047 0.000 0.756 632 A CB 1.678 20.673 19.000 -0.008 0.000 1.293 632 A HN 0.498 nan 8.150 nan 0.000 0.395 633 E N 3.144 122.972 120.200 -0.621 0.000 2.334 633 E HA 0.494 4.844 4.350 0.000 0.000 0.280 633 E C -2.980 173.183 176.600 -0.729 0.000 0.899 633 E CA -1.735 54.216 56.400 -0.748 0.000 0.813 633 E CB 2.462 31.575 29.700 -0.980 0.000 1.318 633 E HN 0.379 nan 8.360 nan 0.000 0.399 634 P HA 0.094 nan 4.420 nan 0.000 0.262 634 P C 0.772 177.653 177.300 -0.699 0.000 1.182 634 P CA 1.471 63.839 63.100 -1.220 0.000 0.761 634 P CB 0.840 31.264 31.700 -2.128 0.000 0.795 635 G N 2.999 111.513 108.800 -0.476 0.000 2.205 635 G HA2 -0.233 3.727 3.960 0.000 0.000 0.261 635 G HA3 -0.233 3.727 3.960 0.000 0.000 0.261 635 G C 0.810 175.643 174.900 -0.112 0.000 0.980 635 G CA 0.199 45.133 45.100 -0.277 0.000 0.632 635 G HN 0.533 nan 8.290 nan 0.000 0.533 636 E N -1.480 118.606 120.200 -0.190 0.000 2.378 636 E HA 0.323 4.673 4.350 0.000 0.000 0.200 636 E C 0.545 177.134 176.600 -0.019 0.000 0.882 636 E CA 1.422 57.776 56.400 -0.076 0.000 1.061 636 E CB 0.591 30.222 29.700 -0.115 0.000 1.049 636 E HN 0.953 nan 8.360 nan 0.000 0.494 637 Y N -1.485 118.723 120.300 -0.153 0.000 2.620 637 Y HA 0.629 5.179 4.550 0.000 0.000 0.331 637 Y C -1.235 174.542 175.900 -0.204 0.000 1.173 637 Y CA -1.195 56.759 58.100 -0.243 0.000 1.076 637 Y CB 0.821 38.936 38.460 -0.575 0.000 1.336 637 Y HN -0.197 nan 8.280 nan 0.000 0.459 638 I N 2.386 122.949 120.570 -0.012 0.000 2.548 638 I HA 0.486 4.656 4.170 0.000 0.000 0.287 638 I C -1.229 174.856 176.117 -0.054 0.000 1.103 638 I CA -0.693 60.579 61.300 -0.047 0.000 1.049 638 I CB 2.705 40.627 38.000 -0.130 0.000 1.232 638 I HN 0.789 nan 8.210 nan 0.000 0.429 639 T N 6.864 121.409 114.554 -0.016 0.000 2.840 639 T HA 0.683 5.033 4.350 0.000 0.000 0.287 639 T C -0.407 174.263 174.700 -0.050 0.000 0.991 639 T CA -0.348 61.729 62.100 -0.039 0.000 0.964 639 T CB 1.320 70.210 68.868 0.037 0.000 0.954 639 T HN 0.267 nan 8.240 nan 0.000 0.438 640 I N 2.001 122.513 120.570 -0.097 0.000 2.647 640 I HA 0.751 4.922 4.170 0.000 0.000 0.295 640 I C -0.386 175.619 176.117 -0.187 0.000 1.078 640 I CA -1.302 59.886 61.300 -0.186 0.000 1.048 640 I CB 2.110 39.965 38.000 -0.241 0.000 1.239 640 I HN 0.669 nan 8.210 nan 0.000 0.421 641 A N 5.952 128.600 122.820 -0.286 0.000 2.343 641 A HA 0.872 5.192 4.320 0.000 0.000 0.316 641 A C -0.692 176.777 177.584 -0.192 0.000 1.104 641 A CA -0.609 51.303 52.037 -0.209 0.000 0.768 641 A CB 1.056 19.720 19.000 -0.561 0.000 1.213 641 A HN 0.787 nan 8.150 nan 0.000 0.456 642 R N 1.212 121.623 120.500 -0.148 0.000 2.744 642 R HA 0.501 4.841 4.340 0.000 0.000 0.279 642 R C -0.863 175.280 176.300 -0.261 0.000 0.977 642 R CA -0.820 55.022 56.100 -0.430 0.000 0.906 642 R CB 2.650 32.160 30.300 -1.318 0.000 1.197 642 R HN 0.686 nan 8.270 nan 0.000 0.463 643 K N 1.788 121.832 120.400 -0.594 0.000 2.263 643 K HA 0.402 4.722 4.320 0.000 0.000 0.272 643 K C -0.513 176.101 176.600 0.024 0.000 1.033 643 K CA -0.346 55.457 56.287 -0.807 0.000 0.884 643 K CB 1.394 32.989 32.500 -1.510 0.000 1.107 643 K HN 0.760 nan 8.250 nan 0.000 0.460 644 A N 4.431 127.383 122.820 0.219 0.000 2.546 644 A HA -0.008 4.312 4.320 0.000 0.000 0.243 644 A C -0.013 177.521 177.584 -0.083 0.000 1.063 644 A CA 0.122 52.189 52.037 0.051 0.000 0.757 644 A CB 0.034 19.081 19.000 0.078 0.000 0.991 644 A HN 0.868 nan 8.150 nan 0.000 0.503 645 K N 2.119 122.416 120.400 -0.171 0.000 2.484 645 K HA 0.017 4.337 4.320 0.000 0.000 0.280 645 K C -0.431 176.109 176.600 -0.100 0.000 1.013 645 K CA 0.671 56.883 56.287 -0.126 0.000 1.029 645 K CB 0.042 32.454 32.500 -0.147 0.000 0.902 645 K HN 0.767 nan 8.250 nan 0.000 0.481 646 D N 1.341 121.699 120.400 -0.069 0.000 2.945 646 D HA -0.169 4.471 4.640 0.000 0.000 0.225 646 D C -0.306 175.972 176.300 -0.036 0.000 1.158 646 D CA 1.768 55.739 54.000 -0.049 0.000 0.805 646 D CB -1.323 39.446 40.800 -0.053 0.000 1.098 646 D HN 0.807 nan 8.370 nan 0.000 0.426 647 T N -3.991 110.544 114.554 -0.032 0.000 2.812 647 T HA 0.587 4.937 4.350 0.000 0.000 0.294 647 T C -0.311 174.399 174.700 0.017 0.000 1.159 647 T CA -0.774 61.325 62.100 -0.002 0.000 1.008 647 T CB 1.938 70.815 68.868 0.014 0.000 1.289 647 T HN -0.235 nan 8.240 nan 0.000 0.514 648 D N 0.298 120.742 120.400 0.073 0.000 2.501 648 D HA 0.280 4.921 4.640 0.000 0.000 0.226 648 D C -0.811 175.661 176.300 0.287 0.000 1.198 648 D CA -0.340 53.761 54.000 0.168 0.000 0.830 648 D CB 0.269 41.170 40.800 0.168 0.000 1.014 648 D HN 0.414 nan 8.370 nan 0.000 0.496 649 D N 0.109 120.602 120.400 0.155 0.000 2.163 649 D HA 0.310 4.951 4.640 0.000 0.000 0.248 649 D C -0.382 175.953 176.300 0.059 0.000 1.035 649 D CA -0.329 53.776 54.000 0.175 0.000 0.872 649 D CB 1.160 42.030 40.800 0.118 0.000 1.183 649 D HN 0.027 nan 8.370 nan 0.000 0.445 650 W N 0.837 122.099 121.300 -0.063 0.000 2.781 650 W HA 0.454 5.114 4.660 0.000 0.000 0.345 650 W C -0.727 175.617 176.519 -0.293 0.000 1.085 650 W CA -0.694 56.647 57.345 -0.008 0.000 1.198 650 W CB 1.090 30.615 29.460 0.109 0.000 1.423 650 W HN 0.200 nan 8.180 nan 0.000 0.532 651 Y N 1.053 121.618 120.300 0.443 0.000 2.406 651 Y HA 0.638 5.188 4.550 0.000 0.000 0.340 651 Y C -0.317 175.755 175.900 0.286 0.000 0.975 651 Y CA -1.240 57.096 58.100 0.394 0.000 1.056 651 Y CB 1.704 40.398 38.460 0.390 0.000 1.210 651 Y HN -0.009 nan 8.280 nan 0.000 0.448 652 V N 2.008 122.191 119.914 0.447 0.000 2.680 652 V HA 0.958 5.078 4.120 0.000 0.000 0.309 652 V C -0.102 176.137 176.094 0.241 0.000 1.052 652 V CA -0.757 61.724 62.300 0.301 0.000 0.908 652 V CB 1.995 34.044 31.823 0.376 0.000 1.001 652 V HN 0.915 nan 8.190 nan 0.000 0.431 653 G N 0.964 109.820 108.800 0.092 0.000 2.719 653 G HA2 0.586 4.546 3.960 0.000 0.000 0.298 653 G HA3 0.586 4.546 3.960 0.000 0.000 0.298 653 G C -1.602 173.164 174.900 -0.223 0.000 1.411 653 G CA -0.495 44.579 45.100 -0.044 0.000 0.991 653 G HN 0.943 nan 8.290 nan 0.000 0.509 654 C N 1.087 120.090 119.300 -0.497 0.000 2.535 654 C HA 0.897 5.357 4.460 0.000 0.000 0.319 654 C C -0.071 174.699 174.990 -0.368 0.000 1.171 654 C CA -0.283 58.400 59.018 -0.558 0.000 1.394 654 C CB 0.858 27.894 27.740 -1.173 0.000 1.990 654 C HN 0.929 nan 8.230 nan 0.000 0.466 655 T N 3.776 118.210 114.554 -0.200 0.000 2.861 655 T HA 0.808 5.158 4.350 0.000 0.000 0.287 655 T C -0.426 174.245 174.700 -0.048 0.000 1.003 655 T CA 0.156 62.187 62.100 -0.114 0.000 0.977 655 T CB 1.205 70.011 68.868 -0.103 0.000 0.996 655 T HN 1.480 nan 8.240 nan 0.000 0.448 656 A N 3.052 125.874 122.820 0.002 0.000 2.430 656 A HA 0.949 5.269 4.320 0.000 0.000 0.300 656 A C 0.566 178.207 177.584 0.094 0.000 1.124 656 A CA -0.395 51.684 52.037 0.071 0.000 0.766 656 A CB 1.370 20.434 19.000 0.107 0.000 1.328 656 A HN 1.073 nan 8.150 nan 0.000 0.424 657 G N -0.760 108.123 108.800 0.138 0.000 2.582 657 G HA2 0.404 4.364 3.960 0.000 0.000 0.232 657 G HA3 0.404 4.364 3.960 0.000 0.000 0.232 657 G C 0.633 175.637 174.900 0.173 0.000 1.458 657 G CA 0.413 45.612 45.100 0.164 0.000 1.062 657 G HN 0.922 nan 8.290 nan 0.000 0.566 658 E N -0.415 119.899 120.200 0.189 0.000 2.265 658 E HA -0.096 4.255 4.350 0.000 0.000 0.196 658 E C 1.053 177.777 176.600 0.207 0.000 0.996 658 E CA 0.989 57.516 56.400 0.212 0.000 0.832 658 E CB -0.092 29.726 29.700 0.198 0.000 0.756 658 E HN 0.313 nan 8.360 nan 0.000 0.491 659 N N 1.033 119.853 118.700 0.200 0.000 2.336 659 N HA 0.093 4.833 4.740 0.000 0.000 0.189 659 N C 0.829 176.463 175.510 0.207 0.000 1.113 659 N CA 0.827 53.995 53.050 0.197 0.000 0.858 659 N CB 0.897 39.502 38.487 0.197 0.000 0.970 659 N HN 0.341 nan 8.380 nan 0.000 0.471 660 G N 0.943 109.853 108.800 0.184 0.000 2.645 660 G HA2 -0.283 3.678 3.960 0.000 0.000 0.246 660 G HA3 -0.283 3.678 3.960 0.000 0.000 0.246 660 G C -0.758 174.239 174.900 0.162 0.000 1.322 660 G CA 0.154 45.317 45.100 0.105 0.000 0.898 660 G HN 0.635 nan 8.290 nan 0.000 0.573 661 H N -1.607 117.383 119.070 -0.132 0.000 3.139 661 H HA 0.563 5.119 4.556 0.000 0.000 0.325 661 H C -0.644 174.654 175.328 -0.050 0.000 1.146 661 H CA 0.351 56.350 56.048 -0.081 0.000 1.351 661 H CB 1.058 30.751 29.762 -0.115 0.000 2.005 661 H HN 0.734 nan 8.280 nan 0.000 0.517 662 T N 3.973 118.167 114.554 -0.601 0.000 2.749 662 T HA 0.499 4.849 4.350 0.000 0.000 0.287 662 T C -0.525 173.818 174.700 -0.594 0.000 0.970 662 T CA -0.552 61.355 62.100 -0.320 0.000 0.980 662 T CB 0.807 69.611 68.868 -0.106 0.000 0.924 662 T HN 0.502 nan 8.240 nan 0.000 0.456 663 S N 3.384 118.942 115.700 -0.235 0.000 2.472 663 S HA 0.448 4.918 4.470 0.000 0.000 0.303 663 S C -0.162 174.387 174.600 -0.085 0.000 1.099 663 S CA -1.072 57.066 58.200 -0.103 0.000 1.077 663 S CB 0.941 64.236 63.200 0.158 0.000 1.031 663 S HN 0.381 nan 8.310 nan 0.000 0.487 664 K N 3.165 123.518 120.400 -0.078 0.000 2.432 664 K HA 0.338 4.658 4.320 0.000 0.000 0.226 664 K C -0.705 175.827 176.600 -0.113 0.000 1.057 664 K CA -0.153 56.083 56.287 -0.084 0.000 1.034 664 K CB 0.259 32.718 32.500 -0.068 0.000 1.561 664 K HN 0.554 nan 8.250 nan 0.000 0.492 665 L N 1.631 122.754 121.223 -0.168 0.000 2.410 665 L HA 0.207 4.547 4.340 0.000 0.000 0.273 665 L C 0.180 176.767 176.870 -0.471 0.000 1.152 665 L CA -0.533 54.099 54.840 -0.347 0.000 0.855 665 L CB 0.521 42.287 42.059 -0.488 0.000 1.129 665 L HN -0.014 nan 8.230 nan 0.000 0.463 666 V N 4.358 123.984 119.914 -0.480 0.000 2.376 666 V HA 0.197 4.318 4.120 0.000 0.000 0.287 666 V C -0.068 175.693 176.094 -0.555 0.000 1.015 666 V CA -0.301 61.770 62.300 -0.382 0.000 0.834 666 V CB 1.218 32.933 31.823 -0.181 0.000 1.001 666 V HN 0.474 nan 8.190 nan 0.000 0.428 667 F N 2.815 122.545 119.950 -0.367 0.000 2.913 667 F HA 0.138 4.665 4.527 0.000 0.000 0.293 667 F C 1.538 176.828 175.800 -0.849 0.000 1.223 667 F CA -0.623 56.860 58.000 -0.861 0.000 1.393 667 F CB -0.408 38.144 39.000 -0.746 0.000 1.102 667 F HN 0.670 nan 8.300 nan 0.000 0.524 668 D N -0.926 119.226 120.400 -0.413 0.000 2.378 668 D HA -0.205 4.436 4.640 0.000 0.000 0.227 668 D C 1.448 177.603 176.300 -0.241 0.000 1.012 668 D CA 0.340 54.190 54.000 -0.250 0.000 0.905 668 D CB -0.999 39.735 40.800 -0.111 0.000 0.895 668 D HN 0.436 nan 8.370 nan 0.000 0.532 669 F N -0.497 119.296 119.950 -0.262 0.000 2.789 669 F HA 0.316 4.843 4.527 0.000 0.000 0.300 669 F C 0.621 176.139 175.800 -0.471 0.000 1.132 669 F CA -0.826 56.956 58.000 -0.363 0.000 1.404 669 F CB -0.614 38.059 39.000 -0.546 0.000 1.114 669 F HN -0.195 nan 8.300 nan 0.000 0.584 670 L N 0.939 121.748 121.223 -0.689 0.000 2.466 670 L HA 0.262 4.603 4.340 0.000 0.000 0.257 670 L C 0.631 177.471 176.870 -0.050 0.000 1.189 670 L CA -0.644 53.901 54.840 -0.492 0.000 0.813 670 L CB 0.602 42.222 42.059 -0.731 0.000 1.118 670 L HN -0.043 nan 8.230 nan 0.000 0.471 671 T N 1.953 116.635 114.554 0.212 0.000 2.814 671 T HA 0.187 4.537 4.350 0.000 0.000 0.297 671 T C -2.276 172.509 174.700 0.143 0.000 0.956 671 T CA -0.839 61.385 62.100 0.207 0.000 1.123 671 T CB 0.732 69.754 68.868 0.256 0.000 0.902 671 T HN 0.305 nan 8.240 nan 0.000 0.528 672 P HA 0.219 nan 4.420 nan 0.000 0.266 672 P C 1.073 178.395 177.300 0.037 0.000 1.195 672 P CA 0.627 63.753 63.100 0.044 0.000 0.768 672 P CB 0.334 32.051 31.700 0.029 0.000 0.838 673 G N 0.797 109.610 108.800 0.021 0.000 2.184 673 G HA2 -0.218 3.742 3.960 0.000 0.000 0.264 673 G HA3 -0.218 3.742 3.960 0.000 0.000 0.264 673 G C 0.128 175.016 174.900 -0.020 0.000 0.975 673 G CA 0.068 45.168 45.100 0.001 0.000 0.642 673 G HN 0.481 nan 8.290 nan 0.000 0.536 674 K N 0.333 120.724 120.400 -0.015 0.000 2.118 674 K HA 0.600 4.920 4.320 0.000 0.000 0.254 674 K C 0.155 176.650 176.600 -0.175 0.000 0.961 674 K CA -0.565 55.641 56.287 -0.135 0.000 0.876 674 K CB 1.312 33.681 32.500 -0.219 0.000 1.077 674 K HN 0.221 nan 8.250 nan 0.000 0.440 675 Q N 1.625 121.251 119.800 -0.290 0.000 2.245 675 Q HA 0.415 4.755 4.340 0.000 0.000 0.256 675 Q C -0.866 174.900 176.000 -0.390 0.000 0.942 675 Q CA -0.513 55.171 55.803 -0.199 0.000 0.896 675 Q CB 1.297 29.961 28.738 -0.123 0.000 1.272 675 Q HN 0.445 nan 8.270 nan 0.000 0.442 676 Y N 0.543 120.800 120.300 -0.071 0.000 2.477 676 Y HA 0.374 4.924 4.550 0.000 0.000 0.347 676 Y C -0.014 175.840 175.900 -0.078 0.000 0.981 676 Y CA -0.987 57.072 58.100 -0.068 0.000 1.033 676 Y CB 1.656 40.056 38.460 -0.099 0.000 1.245 676 Y HN 0.389 nan 8.280 nan 0.000 0.455 677 I N 3.302 123.928 120.570 0.094 0.000 2.291 677 I HA 0.395 4.566 4.170 0.000 0.000 0.292 677 I C 0.154 176.295 176.117 0.040 0.000 1.064 677 I CA -0.362 60.962 61.300 0.041 0.000 1.269 677 I CB 0.121 38.140 38.000 0.032 0.000 1.418 677 I HN 0.670 nan 8.210 nan 0.000 0.485 678 A N 5.474 128.289 122.820 -0.009 0.000 2.304 678 A HA 0.774 5.094 4.320 0.000 0.000 0.323 678 A C -0.012 177.562 177.584 -0.017 0.000 1.195 678 A CA -0.395 51.621 52.037 -0.034 0.000 0.826 678 A CB 0.762 19.673 19.000 -0.148 0.000 1.184 678 A HN 0.634 nan 8.150 nan 0.000 0.496 679 T N 2.155 116.733 114.554 0.040 0.000 2.815 679 T HA 0.471 4.821 4.350 0.000 0.000 0.289 679 T C -0.584 174.099 174.700 -0.027 0.000 1.000 679 T CA -0.293 61.794 62.100 -0.022 0.000 0.958 679 T CB 1.076 69.968 68.868 0.040 0.000 0.944 679 T HN 0.406 nan 8.240 nan 0.000 0.442 680 V N 4.671 124.499 119.914 -0.143 0.000 2.350 680 V HA 0.359 4.479 4.120 0.000 0.000 0.276 680 V C -0.987 175.007 176.094 -0.166 0.000 1.028 680 V CA -0.822 61.439 62.300 -0.065 0.000 0.860 680 V CB 0.217 32.008 31.823 -0.052 0.000 0.990 680 V HN 0.826 nan 8.190 nan 0.000 0.453 681 Y N 3.702 124.016 120.300 0.024 0.000 2.417 681 Y HA 0.728 5.278 4.550 0.000 0.000 0.336 681 Y C 0.478 176.415 175.900 0.061 0.000 0.961 681 Y CA -0.318 57.798 58.100 0.027 0.000 1.215 681 Y CB 1.465 39.879 38.460 -0.076 0.000 1.120 681 Y HN 0.727 nan 8.280 nan 0.000 0.499 682 A N 2.054 124.999 122.820 0.208 0.000 2.485 682 A HA 0.580 4.900 4.320 0.000 0.000 0.292 682 A C -1.047 176.661 177.584 0.206 0.000 1.147 682 A CA -1.020 51.139 52.037 0.202 0.000 0.750 682 A CB 1.047 20.120 19.000 0.122 0.000 1.331 682 A HN 0.560 nan 8.150 nan 0.000 0.419 683 D N 1.164 121.678 120.400 0.190 0.000 2.382 683 D HA 0.437 5.077 4.640 0.000 0.000 0.245 683 D C 0.678 177.066 176.300 0.146 0.000 1.120 683 D CA 0.720 54.823 54.000 0.172 0.000 0.890 683 D CB 1.385 42.277 40.800 0.153 0.000 1.201 683 D HN 0.727 nan 8.370 nan 0.000 0.433 684 A N 2.021 124.914 122.820 0.123 0.000 2.366 684 A HA 0.050 4.370 4.320 0.000 0.000 0.249 684 A C 1.446 179.085 177.584 0.092 0.000 1.084 684 A CA -0.270 51.815 52.037 0.080 0.000 0.794 684 A CB 0.268 19.293 19.000 0.042 0.000 1.034 684 A HN 0.647 nan 8.150 nan 0.000 0.491 685 K N 0.088 120.529 120.400 0.069 0.000 2.211 685 K HA -0.178 4.142 4.320 0.000 0.000 0.204 685 K C -0.010 176.632 176.600 0.069 0.000 1.047 685 K CA 1.855 58.184 56.287 0.070 0.000 0.935 685 K CB -0.193 32.325 32.500 0.030 0.000 0.728 685 K HN 0.691 nan 8.250 nan 0.000 0.452 686 D N 0.605 121.037 120.400 0.054 0.000 2.424 686 D HA 0.188 4.828 4.640 0.000 0.000 0.220 686 D C 0.119 176.451 176.300 0.053 0.000 1.150 686 D CA -0.435 53.592 54.000 0.045 0.000 0.831 686 D CB 0.196 41.011 40.800 0.024 0.000 0.981 686 D HN 0.315 nan 8.370 nan 0.000 0.500 687 A N 0.274 123.140 122.820 0.078 0.000 2.425 687 A HA 0.448 4.769 4.320 0.000 0.000 0.242 687 A C -0.318 177.313 177.584 0.078 0.000 1.077 687 A CA -0.059 52.027 52.037 0.082 0.000 0.781 687 A CB 0.226 19.292 19.000 0.111 0.000 1.020 687 A HN 0.271 nan 8.150 nan 0.000 0.494 688 D N -0.086 120.348 120.400 0.056 0.000 2.878 688 D HA 0.204 4.844 4.640 0.000 0.000 0.211 688 D C 0.843 177.142 176.300 -0.000 0.000 1.271 688 D CA -0.458 53.549 54.000 0.012 0.000 0.845 688 D CB 0.328 41.079 40.800 -0.081 0.000 1.679 688 D HN 0.617 nan 8.370 nan 0.000 0.536 689 W N 4.649 125.978 121.300 0.048 0.000 2.325 689 W HA -0.131 4.529 4.660 0.000 0.000 0.299 689 W C 0.995 177.527 176.519 0.021 0.000 1.215 689 W CA 0.928 58.291 57.345 0.031 0.000 1.244 689 W CB -0.241 29.237 29.460 0.030 0.000 1.140 689 W HN 0.394 nan 8.180 nan 0.000 0.523 690 K N 0.349 120.087 120.400 -1.104 0.000 2.078 690 K HA -0.096 4.224 4.320 0.000 0.000 0.203 690 K C 2.109 178.472 176.600 -0.395 0.000 1.043 690 K CA 1.287 56.917 56.287 -1.095 0.000 0.960 690 K CB 0.015 31.510 32.500 -1.675 0.000 0.761 690 K HN -0.170 nan 8.250 nan 0.000 0.448 691 E N 0.144 120.157 120.200 -0.311 0.000 2.250 691 E HA -0.043 4.308 4.350 0.000 0.000 0.192 691 E C 0.116 176.693 176.600 -0.038 0.000 0.986 691 E CA 0.584 56.907 56.400 -0.128 0.000 0.849 691 E CB 0.258 29.886 29.700 -0.119 0.000 0.797 691 E HN 0.150 nan 8.360 nan 0.000 0.482 692 N N 0.080 118.763 118.700 -0.029 0.000 2.666 692 N HA 0.077 4.817 4.740 0.000 0.000 0.253 692 N C -2.286 173.256 175.510 0.053 0.000 1.621 692 N CA -0.980 52.086 53.050 0.027 0.000 0.785 692 N CB 0.916 39.416 38.487 0.021 0.000 1.332 692 N HN -0.197 nan 8.380 nan 0.000 0.514 693 P HA -0.083 nan 4.420 nan 0.000 0.225 693 P C 0.206 177.551 177.300 0.074 0.000 1.156 693 P CA 1.031 64.185 63.100 0.090 0.000 0.787 693 P CB 0.473 32.231 31.700 0.096 0.000 0.802 694 Q N -0.353 119.494 119.800 0.078 0.000 2.222 694 Q HA 0.356 4.696 4.340 0.000 0.000 0.206 694 Q C 0.349 176.436 176.000 0.146 0.000 0.877 694 Q CA -0.406 55.443 55.803 0.076 0.000 0.958 694 Q CB 0.392 29.177 28.738 0.079 0.000 1.075 694 Q HN 0.121 nan 8.270 nan 0.000 0.483 695 A N 1.393 124.277 122.820 0.107 0.000 2.279 695 A HA 0.506 4.826 4.320 0.000 0.000 0.306 695 A C -0.822 176.823 177.584 0.103 0.000 1.300 695 A CA -0.406 51.650 52.037 0.032 0.000 0.925 695 A CB -0.285 18.735 19.000 0.032 0.000 1.152 695 A HN 0.339 nan 8.150 nan 0.000 0.544 696 Y N -0.035 120.292 120.300 0.045 0.000 2.644 696 Y HA 0.848 5.398 4.550 0.000 0.000 0.338 696 Y C -0.155 175.779 175.900 0.057 0.000 1.119 696 Y CA -0.742 57.388 58.100 0.051 0.000 1.060 696 Y CB 1.091 39.574 38.460 0.038 0.000 1.294 696 Y HN 0.564 nan 8.280 nan 0.000 0.472 697 T N -0.130 114.574 114.554 0.249 0.000 2.906 697 T HA 0.815 5.165 4.350 0.000 0.000 0.295 697 T C -1.166 173.631 174.700 0.161 0.000 1.061 697 T CA -0.692 61.489 62.100 0.134 0.000 1.000 697 T CB 1.637 70.539 68.868 0.057 0.000 1.103 697 T HN 0.759 nan 8.240 nan 0.000 0.486 698 I N 1.800 122.412 120.570 0.069 0.000 2.478 698 I HA 0.443 4.613 4.170 0.000 0.000 0.287 698 I C -0.524 175.532 176.117 -0.102 0.000 1.042 698 I CA -0.881 60.365 61.300 -0.090 0.000 1.067 698 I CB 2.082 40.025 38.000 -0.094 0.000 1.233 698 I HN 0.546 nan 8.210 nan 0.000 0.431 699 K N 5.679 125.994 120.400 -0.143 0.000 2.324 699 K HA 0.562 4.882 4.320 0.000 0.000 0.253 699 K C -0.949 175.587 176.600 -0.108 0.000 0.932 699 K CA -0.955 55.276 56.287 -0.094 0.000 0.799 699 K CB 3.072 35.532 32.500 -0.066 0.000 1.154 699 K HN 0.384 nan 8.250 nan 0.000 0.425 700 K N 1.394 121.752 120.400 -0.071 0.000 2.345 700 K HA 0.638 4.958 4.320 0.000 0.000 0.255 700 K C -0.795 175.780 176.600 -0.042 0.000 0.934 700 K CA -0.539 55.716 56.287 -0.054 0.000 0.801 700 K CB 1.620 34.100 32.500 -0.033 0.000 1.137 700 K HN 0.831 nan 8.250 nan 0.000 0.424 701 G N 2.695 111.468 108.800 -0.045 0.000 2.650 701 G HA2 0.425 4.385 3.960 0.000 0.000 0.310 701 G HA3 0.425 4.385 3.960 0.000 0.000 0.310 701 G C -1.735 173.137 174.900 -0.048 0.000 1.270 701 G CA -0.795 44.279 45.100 -0.045 0.000 0.810 701 G HN 0.426 nan 8.290 nan 0.000 0.493 702 I N 0.341 120.880 120.570 -0.051 0.000 2.460 702 I HA 0.643 4.813 4.170 0.000 0.000 0.298 702 I C -0.146 175.921 176.117 -0.083 0.000 0.989 702 I CA -0.496 60.776 61.300 -0.047 0.000 1.173 702 I CB 1.762 39.742 38.000 -0.034 0.000 1.338 702 I HN 0.287 nan 8.210 nan 0.000 0.456 703 L N 4.383 125.555 121.223 -0.084 0.000 2.388 703 L HA 0.771 5.111 4.340 0.000 0.000 0.264 703 L C -0.277 176.565 176.870 -0.047 0.000 0.998 703 L CA -0.524 54.207 54.840 -0.181 0.000 0.817 703 L CB 2.507 44.291 42.059 -0.459 0.000 1.338 703 L HN 0.763 nan 8.230 nan 0.000 0.414 704 T N -3.190 111.315 114.554 -0.082 0.000 2.838 704 T HA 0.213 4.563 4.350 0.000 0.000 0.292 704 T C 0.533 175.179 174.700 -0.090 0.000 1.113 704 T CA -0.755 61.349 62.100 0.005 0.000 1.008 704 T CB 1.359 70.230 68.868 0.006 0.000 1.259 704 T HN 0.623 nan 8.240 nan 0.000 0.520 705 N N 0.174 118.834 118.700 -0.067 0.000 2.609 705 N HA -0.070 4.670 4.740 0.000 0.000 0.190 705 N C 0.719 176.176 175.510 -0.089 0.000 1.157 705 N CA 0.345 53.314 53.050 -0.135 0.000 0.918 705 N CB -0.211 38.215 38.487 -0.101 0.000 0.978 705 N HN 0.433 nan 8.380 nan 0.000 0.448 706 K N 0.062 120.431 120.400 -0.051 0.000 2.358 706 K HA 0.229 4.549 4.320 0.000 0.000 0.197 706 K C 0.066 176.658 176.600 -0.014 0.000 1.025 706 K CA -0.077 56.191 56.287 -0.033 0.000 1.104 706 K CB 0.540 33.026 32.500 -0.024 0.000 0.855 706 K HN 0.076 nan 8.250 nan 0.000 0.531 707 S N 1.436 117.136 115.700 0.001 0.000 2.592 707 S HA 0.293 4.763 4.470 0.000 0.000 0.271 707 S C -0.041 174.666 174.600 0.178 0.000 1.326 707 S CA -0.097 58.136 58.200 0.055 0.000 1.024 707 S CB 1.087 64.269 63.200 -0.029 0.000 0.921 707 S HN 0.045 nan 8.310 nan 0.000 0.527 708 K N 1.281 121.767 120.400 0.144 0.000 2.525 708 K HA 0.564 4.884 4.320 0.000 0.000 0.254 708 K C -1.592 175.071 176.600 0.106 0.000 0.934 708 K CA -0.452 55.888 56.287 0.089 0.000 0.802 708 K CB 1.746 34.244 32.500 -0.003 0.000 1.295 708 K HN 0.402 nan 8.250 nan 0.000 0.433 709 L N 2.218 123.494 121.223 0.087 0.000 2.431 709 L HA 0.439 4.779 4.340 0.000 0.000 0.266 709 L C -0.969 175.877 176.870 -0.040 0.000 0.978 709 L CA -1.059 53.814 54.840 0.055 0.000 0.822 709 L CB 2.083 44.234 42.059 0.153 0.000 1.310 709 L HN 0.533 nan 8.230 nan 0.000 0.409 710 N N 4.667 123.338 118.700 -0.049 0.000 2.437 710 N HA 0.618 5.359 4.740 0.000 0.000 0.259 710 N C -1.116 174.344 175.510 -0.083 0.000 0.983 710 N CA -0.252 52.759 53.050 -0.065 0.000 0.937 710 N CB 2.071 40.531 38.487 -0.046 0.000 1.122 710 N HN 0.392 nan 8.380 nan 0.000 0.499 711 L N 1.374 122.526 121.223 -0.119 0.000 2.370 711 L HA 0.397 4.737 4.340 0.000 0.000 0.266 711 L C -0.626 176.260 176.870 0.027 0.000 1.002 711 L CA -0.891 53.862 54.840 -0.145 0.000 0.818 711 L CB 2.139 43.867 42.059 -0.553 0.000 1.325 711 L HN 0.504 nan 8.230 nan 0.000 0.418 712 H N 1.590 120.664 119.070 0.007 0.000 2.589 712 H HA 0.680 5.236 4.556 0.000 0.000 0.335 712 H C -0.768 174.661 175.328 0.169 0.000 1.019 712 H CA -0.396 55.691 56.048 0.064 0.000 1.213 712 H CB 1.726 31.503 29.762 0.025 0.000 1.472 712 H HN 0.681 nan 8.280 nan 0.000 0.508 713 A N 4.244 126.870 122.820 -0.324 0.000 2.289 713 A HA 0.692 5.012 4.320 0.000 0.000 0.298 713 A C 0.253 177.587 177.584 -0.417 0.000 1.208 713 A CA -0.020 51.919 52.037 -0.163 0.000 0.845 713 A CB 0.010 19.002 19.000 -0.014 0.000 1.125 713 A HN 0.942 nan 8.150 nan 0.000 0.517 714 A N 2.405 125.161 122.820 -0.106 0.000 2.262 714 A HA 0.434 4.755 4.320 0.000 0.000 0.273 714 A C 0.676 178.321 177.584 0.101 0.000 1.202 714 A CA -0.195 51.863 52.037 0.036 0.000 0.811 714 A CB -0.172 18.907 19.000 0.133 0.000 1.159 714 A HN 1.035 nan 8.150 nan 0.000 0.505 715 N N -0.115 118.693 118.700 0.181 0.000 2.429 715 N HA 0.325 5.065 4.740 0.000 0.000 0.271 715 N C 0.850 176.584 175.510 0.372 0.000 1.272 715 N CA 1.530 54.735 53.050 0.258 0.000 0.921 715 N CB -0.188 38.453 38.487 0.258 0.000 1.128 715 N HN 1.545 nan 8.380 nan 0.000 0.481 716 G N 1.704 110.668 108.800 0.273 0.000 2.160 716 G HA2 -0.161 3.800 3.960 0.000 0.000 0.251 716 G HA3 -0.161 3.800 3.960 0.000 0.000 0.251 716 G C 0.432 175.435 174.900 0.172 0.000 1.008 716 G CA 0.280 45.496 45.100 0.192 0.000 0.724 716 G HN 0.956 nan 8.290 nan 0.000 0.514 717 G N -1.638 107.243 108.800 0.134 0.000 2.971 717 G HA2 1.067 5.027 3.960 0.000 0.000 0.235 717 G HA3 1.067 5.027 3.960 0.000 0.000 0.235 717 G C 0.385 175.307 174.900 0.037 0.000 1.351 717 G CA 0.262 45.420 45.100 0.096 0.000 1.039 717 G HN 1.701 nan 8.290 nan 0.000 0.563 718 G N -2.250 106.568 108.800 0.030 0.000 2.336 718 G HA2 0.603 4.563 3.960 0.000 0.000 0.286 718 G HA3 0.603 4.563 3.960 0.000 0.000 0.286 718 G C -1.709 173.212 174.900 0.034 0.000 1.269 718 G CA 0.147 45.208 45.100 -0.064 0.000 0.873 718 G HN 1.702 nan 8.290 nan 0.000 0.494 719 Y N -2.510 117.799 120.300 0.015 0.000 2.656 719 Y HA 0.899 5.449 4.550 0.000 0.000 0.334 719 Y C -0.391 175.473 175.900 -0.060 0.000 1.179 719 Y CA -1.428 56.674 58.100 0.003 0.000 1.050 719 Y CB 1.152 39.634 38.460 0.037 0.000 1.308 719 Y HN 1.706 nan 8.280 nan 0.000 0.456 720 A N 1.816 124.711 122.820 0.124 0.000 2.449 720 A HA 0.891 5.211 4.320 0.000 0.000 0.302 720 A C -1.707 175.870 177.584 -0.012 0.000 1.048 720 A CA -0.852 51.042 52.037 -0.239 0.000 0.708 720 A CB 1.182 19.477 19.000 -1.176 0.000 1.274 720 A HN 0.759 nan 8.150 nan 0.000 0.410 721 I N 1.561 122.216 120.570 0.141 0.000 2.569 721 I HA 0.390 4.560 4.170 0.000 0.000 0.290 721 I C 0.021 176.456 176.117 0.529 0.000 1.088 721 I CA -0.568 60.937 61.300 0.341 0.000 1.047 721 I CB 2.592 40.767 38.000 0.291 0.000 1.237 721 I HN 0.666 nan 8.210 nan 0.000 0.421 722 S N 6.520 122.537 115.700 0.528 0.000 2.451 722 S HA 0.770 5.240 4.470 0.000 0.000 0.301 722 S C -0.640 173.994 174.600 0.058 0.000 1.116 722 S CA -0.624 57.754 58.200 0.296 0.000 1.093 722 S CB 1.332 64.811 63.200 0.464 0.000 1.017 722 S HN 0.511 nan 8.310 nan 0.000 0.482 723 I N 2.666 123.164 120.570 -0.120 0.000 2.537 723 I HA 0.322 4.492 4.170 0.000 0.000 0.276 723 I C -0.418 175.744 176.117 0.074 0.000 1.063 723 I CA -0.480 60.803 61.300 -0.027 0.000 1.144 723 I CB 1.193 39.144 38.000 -0.081 0.000 1.252 723 I HN 0.523 nan 8.210 nan 0.000 0.480 724 K N 4.940 125.413 120.400 0.121 0.000 2.211 724 K HA 0.319 4.639 4.320 0.000 0.000 0.275 724 K C -0.089 176.638 176.600 0.212 0.000 1.024 724 K CA -0.626 55.757 56.287 0.159 0.000 0.887 724 K CB 1.928 34.478 32.500 0.084 0.000 1.084 724 K HN 0.462 nan 8.250 nan 0.000 0.463 725 E N 2.514 122.823 120.200 0.181 0.000 2.384 725 E HA 0.006 4.356 4.350 0.000 0.000 0.266 725 E C -0.624 175.896 176.600 -0.133 0.000 1.012 725 E CA -0.449 55.843 56.400 -0.181 0.000 0.901 725 E CB 0.729 30.308 29.700 -0.201 0.000 0.967 725 E HN 0.189 nan 8.360 nan 0.000 0.435 726 V N 5.847 125.640 119.914 -0.201 0.000 2.529 726 V HA -0.032 4.088 4.120 0.000 0.000 0.292 726 V C 1.017 177.053 176.094 -0.096 0.000 1.028 726 V CA 0.644 62.876 62.300 -0.114 0.000 1.074 726 V CB 0.958 32.713 31.823 -0.114 0.000 0.958 726 V HN 0.792 nan 8.190 nan 0.000 0.481 727 K N 2.026 122.392 120.400 -0.057 0.000 2.370 727 K HA 0.177 4.497 4.320 0.000 0.000 0.194 727 K C 0.247 176.824 176.600 -0.038 0.000 1.070 727 K CA 0.151 56.411 56.287 -0.045 0.000 0.998 727 K CB 0.533 33.015 32.500 -0.029 0.000 0.911 727 K HN 0.701 nan 8.250 nan 0.000 0.533 728 D N 0.607 120.986 120.400 -0.035 0.000 2.936 728 D HA 0.031 4.671 4.640 0.000 0.000 0.238 728 D C 0.266 176.548 176.300 -0.030 0.000 1.248 728 D CA -0.123 53.860 54.000 -0.029 0.000 0.903 728 D CB 1.525 42.312 40.800 -0.021 0.000 1.544 728 D HN -0.003 nan 8.370 nan 0.000 0.543 729 K N 0.956 121.338 120.400 -0.030 0.000 2.293 729 K HA -0.206 4.114 4.320 0.000 0.000 0.204 729 K C 1.374 177.961 176.600 -0.022 0.000 1.045 729 K CA 1.886 58.156 56.287 -0.029 0.000 0.933 729 K CB -0.237 32.248 32.500 -0.026 0.000 0.736 729 K HN 0.246 nan 8.250 nan 0.000 0.463 730 S N 1.204 116.892 115.700 -0.018 0.000 2.419 730 S HA -0.148 4.322 4.470 0.000 0.000 0.233 730 S C 1.693 176.286 174.600 -0.012 0.000 1.016 730 S CA 1.066 59.258 58.200 -0.014 0.000 0.974 730 S CB -0.193 63.000 63.200 -0.011 0.000 0.786 730 S HN 0.495 nan 8.310 nan 0.000 0.492 731 E N 1.774 121.966 120.200 -0.014 0.000 2.150 731 E HA 0.014 4.364 4.350 0.000 0.000 0.193 731 E C 2.062 178.655 176.600 -0.011 0.000 0.985 731 E CA 0.991 57.385 56.400 -0.010 0.000 0.814 731 E CB -0.303 29.390 29.700 -0.012 0.000 0.752 731 E HN 0.751 nan 8.360 nan 0.000 0.466 732 A N 1.510 124.319 122.820 -0.017 0.000 2.251 732 A HA -0.019 4.301 4.320 0.000 0.000 0.209 732 A C 1.027 178.602 177.584 -0.015 0.000 1.187 732 A CA -0.148 51.878 52.037 -0.018 0.000 0.823 732 A CB -0.217 18.767 19.000 -0.026 0.000 0.846 732 A HN -0.007 nan 8.150 nan 0.000 0.486 733 K N 0.284 120.676 120.400 -0.013 0.000 2.472 733 K HA 0.227 4.547 4.320 0.000 0.000 0.280 733 K C 1.161 177.756 176.600 -0.009 0.000 1.028 733 K CA 0.925 57.206 56.287 -0.011 0.000 1.045 733 K CB -0.226 32.269 32.500 -0.008 0.000 0.902 733 K HN 0.712 nan 8.250 nan 0.000 0.478 734 G N 3.278 112.072 108.800 -0.010 0.000 2.184 734 G HA2 -0.270 3.690 3.960 0.000 0.000 0.264 734 G HA3 -0.270 3.690 3.960 0.000 0.000 0.264 734 G C -0.017 174.877 174.900 -0.011 0.000 0.975 734 G CA 0.373 45.467 45.100 -0.009 0.000 0.642 734 G HN 0.511 nan 8.290 nan 0.000 0.536 735 L N 0.026 121.241 121.223 -0.013 0.000 2.343 735 L HA 0.625 4.965 4.340 0.000 0.000 0.275 735 L C 0.641 177.499 176.870 -0.020 0.000 1.056 735 L CA -0.817 54.014 54.840 -0.016 0.000 0.804 735 L CB 1.464 43.513 42.059 -0.017 0.000 1.203 735 L HN 0.030 nan 8.230 nan 0.000 0.440 736 K N 1.698 122.084 120.400 -0.023 0.000 2.258 736 K HA 0.555 4.875 4.320 0.000 0.000 0.236 736 K C -0.709 175.872 176.600 -0.032 0.000 1.008 736 K CA -1.025 55.247 56.287 -0.025 0.000 0.869 736 K CB 1.612 34.098 32.500 -0.022 0.000 1.171 736 K HN 0.445 nan 8.250 nan 0.000 0.447 737 R N 1.175 121.656 120.500 -0.032 0.000 2.543 737 R HA 0.226 4.566 4.340 0.000 0.000 0.277 737 R C 0.078 176.352 176.300 -0.044 0.000 1.074 737 R CA -0.202 55.874 56.100 -0.041 0.000 1.076 737 R CB 0.217 30.495 30.300 -0.036 0.000 0.993 737 R HN 0.348 nan 8.270 nan 0.000 0.459 738 L N 0.000 121.187 121.223 -0.061 0.000 2.949 738 L HA 0.000 4.340 4.340 0.000 0.000 0.249 738 L CA 0.000 54.806 54.840 -0.057 0.000 0.813 738 L CB 0.000 42.009 42.059 -0.083 0.000 0.961 738 L HN 0.000 nan 8.230 nan 0.000 0.502