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 3mq9_1_H DATA FIRST_RESID 4 DATA SEQUENCE EGKLVIWING DKGYNGLAEV GKKFEKDTGI KVTVEHPDKL EEKFPQVAAT DATA SEQUENCE GDGPDIIFWA HDRFGGYAQS GLLAEITPDK AFQDKLYPFT WDAVRYNGKL DATA SEQUENCE IAYPIAVEAL SLIYNKDLLP NPPKTWEEIP ALDKELKAKG KSALMFNLQE DATA SEQUENCE PYFTWPLIAA DGGYAFKYEN GKYDIKDVGV DNAGAKAGLT FLVDLIKNKH DATA SEQUENCE MNADTDYSIA EAAFNKGETA MTINGPWAWS NIDTSKVNYG VTVLPTFKGQ DATA SEQUENCE PSKPFVGVLS AGINAASPNK ELAKEFLENY LLTDEGLEAV NKDKPLGAVA DATA SEQUENCE LKSYEEELAK DPRIAATMEN AQKGEIMPNI PQMSAFWYAV RTAVINAASG DATA SEQUENCE RQTVDEALKD AQTRITAARD GLRAVXEARN VTHLLQQELT EAQKGFQDVE DATA SEQUENCE AQAATANHTV XALXASLDAE KAQGQKKVEE LEGEITTLNH KLQDASAEVE DATA SEQUENCE RLRR 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.595 176.600 -0.008 0.000 1.382 4 E CA 0.000 56.393 56.400 -0.012 0.000 0.976 4 E CB 0.000 29.692 29.700 -0.012 0.000 0.812 5 G N 2.710 111.507 108.800 -0.004 0.000 2.165 5 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.226 5 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.226 5 G C -0.337 174.563 174.900 0.000 0.000 1.035 5 G CA 0.329 45.428 45.100 -0.001 0.000 0.744 5 G HN 0.703 nan 8.290 nan 0.000 0.501 6 K N -0.734 119.666 120.400 -0.001 0.000 2.570 6 K HA 0.610 4.930 4.320 -0.000 0.000 0.256 6 K C -1.157 175.433 176.600 -0.018 0.000 0.939 6 K CA -1.192 55.094 56.287 -0.002 0.000 0.833 6 K CB 1.498 33.996 32.500 -0.004 0.000 1.318 6 K HN 0.142 nan 8.250 nan 0.000 0.433 7 L N 3.232 124.438 121.223 -0.030 0.000 2.276 7 L HA 0.410 4.750 4.340 -0.000 0.000 0.286 7 L C -0.569 176.248 176.870 -0.087 0.000 1.024 7 L CA -1.223 53.567 54.840 -0.083 0.000 0.826 7 L CB 1.742 43.703 42.059 -0.162 0.000 1.211 7 L HN 0.555 nan 8.230 nan 0.000 0.422 8 V N 6.498 126.370 119.914 -0.071 0.000 2.435 8 V HA 0.564 4.684 4.120 -0.000 0.000 0.290 8 V C -0.319 175.757 176.094 -0.031 0.000 1.030 8 V CA -0.277 62.010 62.300 -0.022 0.000 0.881 8 V CB 1.817 33.644 31.823 0.007 0.000 0.983 8 V HN 0.563 nan 8.190 nan 0.000 0.445 9 I N 6.701 127.324 120.570 0.089 0.000 2.466 9 I HA 0.411 4.581 4.170 -0.000 0.000 0.289 9 I C -1.112 175.273 176.117 0.445 0.000 1.026 9 I CA -0.445 60.957 61.300 0.170 0.000 1.078 9 I CB 1.802 39.912 38.000 0.183 0.000 1.249 9 I HN 0.584 nan 8.210 nan 0.000 0.429 10 W N 7.247 128.627 121.300 0.132 0.000 2.376 10 W HA 0.698 5.358 4.660 -0.000 0.000 0.322 10 W C -0.189 176.519 176.519 0.314 0.000 1.160 10 W CA -0.925 56.520 57.345 0.168 0.000 1.218 10 W CB 1.030 30.553 29.460 0.106 0.000 1.205 10 W HN 0.224 nan 8.180 nan 0.000 0.559 11 I N 2.716 123.576 120.570 0.484 0.000 2.787 11 I HA 0.177 4.346 4.170 -0.000 0.000 0.294 11 I C -0.472 175.811 176.117 0.277 0.000 1.365 11 I CA -0.753 60.800 61.300 0.422 0.000 1.029 11 I CB 1.568 39.738 38.000 0.283 0.000 1.313 11 I HN 0.335 nan 8.210 nan 0.000 0.431 12 N N 3.634 122.490 118.700 0.260 0.000 2.416 12 N HA 0.201 4.941 4.740 -0.000 0.000 0.246 12 N C 1.094 176.653 175.510 0.081 0.000 1.260 12 N CA 1.291 54.454 53.050 0.187 0.000 0.897 12 N CB 1.459 39.944 38.487 -0.004 0.000 1.110 12 N HN 0.739 nan 8.380 nan 0.000 0.439 13 G N 0.845 109.681 108.800 0.060 0.000 2.471 13 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 13 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 13 G C 0.800 175.736 174.900 0.061 0.000 1.125 13 G CA 0.945 46.023 45.100 -0.037 0.000 0.775 13 G HN 0.845 nan 8.290 nan 0.000 0.548 14 D N -0.069 120.353 120.400 0.037 0.000 2.349 14 D HA 0.027 4.667 4.640 -0.000 0.000 0.224 14 D C 0.866 177.174 176.300 0.014 0.000 1.029 14 D CA 0.208 54.222 54.000 0.022 0.000 0.879 14 D CB 0.084 40.867 40.800 -0.028 0.000 0.906 14 D HN 0.029 nan 8.370 nan 0.000 0.528 15 K N 0.368 120.786 120.400 0.031 0.000 2.098 15 K HA 0.478 4.797 4.320 -0.000 0.000 0.244 15 K C 0.823 177.443 176.600 0.034 0.000 1.014 15 K CA -0.571 55.717 56.287 0.002 0.000 0.917 15 K CB 0.543 33.017 32.500 -0.043 0.000 1.072 15 K HN 0.057 nan 8.250 nan 0.000 0.477 16 G N 1.792 110.561 108.800 -0.050 0.000 2.741 16 G HA2 0.173 4.133 3.960 -0.000 0.000 0.301 16 G HA3 0.173 4.133 3.960 -0.000 0.000 0.301 16 G C 0.587 175.423 174.900 -0.105 0.000 0.834 16 G CA -0.222 44.801 45.100 -0.128 0.000 1.683 16 G HN 0.633 nan 8.290 nan 0.000 0.506 17 Y N 0.251 120.496 120.300 -0.092 0.000 2.490 17 Y HA 0.102 4.652 4.550 -0.000 0.000 0.285 17 Y C 2.030 177.918 175.900 -0.020 0.000 1.117 17 Y CA 0.407 58.474 58.100 -0.056 0.000 1.262 17 Y CB -0.220 38.201 38.460 -0.064 0.000 1.043 17 Y HN 0.418 nan 8.280 nan 0.000 0.553 18 N N 1.033 119.466 118.700 -0.445 0.000 2.142 18 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 18 N C 2.230 177.690 175.510 -0.084 0.000 1.023 18 N CA 1.142 54.063 53.050 -0.215 0.000 0.852 18 N CB -0.480 37.835 38.487 -0.287 0.000 0.998 18 N HN 0.526 nan 8.380 nan 0.000 0.424 19 G N 1.537 110.274 108.800 -0.105 0.000 2.476 19 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 19 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 19 G C 1.436 176.342 174.900 0.010 0.000 1.164 19 G CA 0.663 45.737 45.100 -0.044 0.000 0.768 19 G HN 0.164 nan 8.290 nan 0.000 0.560 20 L N 1.413 122.652 121.223 0.026 0.000 2.083 20 L HA 0.176 4.516 4.340 -0.000 0.000 0.209 20 L C 3.091 180.058 176.870 0.161 0.000 1.083 20 L CA 1.969 56.871 54.840 0.103 0.000 0.752 20 L CB -0.813 41.304 42.059 0.096 0.000 0.899 20 L HN 0.259 nan 8.230 nan 0.000 0.433 21 A N -0.847 122.050 122.820 0.130 0.000 1.917 21 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 21 A C 2.177 179.836 177.584 0.125 0.000 1.182 21 A CA 1.827 53.943 52.037 0.131 0.000 0.633 21 A CB -0.600 18.470 19.000 0.116 0.000 0.819 21 A HN 0.529 nan 8.150 nan 0.000 0.448 22 E N -0.232 120.027 120.200 0.097 0.000 2.118 22 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 22 E C 2.172 178.858 176.600 0.144 0.000 0.992 22 E CA 1.444 57.901 56.400 0.096 0.000 0.804 22 E CB -0.450 29.284 29.700 0.058 0.000 0.741 22 E HN 0.438 nan 8.360 nan 0.000 0.458 23 V N 0.476 120.496 119.914 0.176 0.000 2.515 23 V HA -0.137 3.983 4.120 -0.000 0.000 0.250 23 V C 2.369 178.709 176.094 0.409 0.000 1.058 23 V CA 1.704 64.156 62.300 0.253 0.000 1.064 23 V CB -0.866 31.076 31.823 0.199 0.000 0.675 23 V HN 0.290 nan 8.190 nan 0.000 0.461 24 G N -0.171 108.840 108.800 0.352 0.000 2.422 24 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 24 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 24 G C 1.681 176.726 174.900 0.241 0.000 1.140 24 G CA 0.602 45.861 45.100 0.266 0.000 0.775 24 G HN 0.481 nan 8.290 nan 0.000 0.545 25 K N 0.088 120.602 120.400 0.191 0.000 2.116 25 K HA 0.101 4.421 4.320 -0.000 0.000 0.203 25 K C 2.446 179.138 176.600 0.154 0.000 1.052 25 K CA 0.428 56.800 56.287 0.141 0.000 0.952 25 K CB -0.017 32.546 32.500 0.105 0.000 0.729 25 K HN 0.015 nan 8.250 nan 0.000 0.446 26 K N 0.240 120.762 120.400 0.203 0.000 2.147 26 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 26 K C 1.923 178.685 176.600 0.271 0.000 1.049 26 K CA 1.120 57.549 56.287 0.237 0.000 0.936 26 K CB -0.144 32.522 32.500 0.277 0.000 0.722 26 K HN 0.101 nan 8.250 nan 0.000 0.446 27 F N 1.978 121.963 119.950 0.059 0.000 2.187 27 F HA -0.089 4.438 4.527 -0.000 0.000 0.295 27 F C 2.408 178.152 175.800 -0.092 0.000 1.091 27 F CA 1.253 59.142 58.000 -0.185 0.000 1.308 27 F CB -0.101 38.834 39.000 -0.109 0.000 1.030 27 F HN 0.060 nan 8.300 nan 0.000 0.487 28 E N 0.219 120.446 120.200 0.045 0.000 2.160 28 E HA -0.274 4.076 4.350 -0.000 0.000 0.195 28 E C 2.235 178.791 176.600 -0.073 0.000 0.991 28 E CA 1.322 57.699 56.400 -0.038 0.000 0.810 28 E CB -0.096 29.627 29.700 0.038 0.000 0.742 28 E HN 0.404 nan 8.360 nan 0.000 0.466 29 K N 0.238 120.624 120.400 -0.022 0.000 1.980 29 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 29 K C 1.420 177.995 176.600 -0.042 0.000 1.043 29 K CA 1.869 58.151 56.287 -0.008 0.000 0.938 29 K CB 0.055 32.580 32.500 0.041 0.000 0.724 29 K HN 0.015 nan 8.250 nan 0.000 0.438 30 D N -0.641 119.736 120.400 -0.038 0.000 2.348 30 D HA -0.078 4.562 4.640 -0.000 0.000 0.216 30 D C 1.315 177.543 176.300 -0.120 0.000 0.970 30 D CA 1.301 55.291 54.000 -0.017 0.000 0.889 30 D CB 0.360 41.245 40.800 0.142 0.000 0.912 30 D HN 0.469 nan 8.370 nan 0.000 0.524 31 T N -5.213 109.176 114.554 -0.275 0.000 3.238 31 T HA 0.433 4.783 4.350 -0.000 0.000 0.242 31 T C 1.726 176.314 174.700 -0.188 0.000 0.980 31 T CA 0.382 62.314 62.100 -0.279 0.000 1.235 31 T CB 0.690 69.254 68.868 -0.505 0.000 1.069 31 T HN 0.054 nan 8.240 nan 0.000 0.407 32 G N 1.057 109.734 108.800 -0.206 0.000 2.234 32 G HA2 0.007 3.967 3.960 -0.000 0.000 0.153 32 G HA3 0.007 3.967 3.960 -0.000 0.000 0.153 32 G C -0.233 174.610 174.900 -0.096 0.000 1.013 32 G CA -0.396 44.635 45.100 -0.114 0.000 0.712 32 G HN 0.480 nan 8.290 nan 0.000 0.491 33 I N 1.971 122.458 120.570 -0.138 0.000 2.325 33 I HA 0.326 4.495 4.170 -0.000 0.000 0.291 33 I C 0.781 176.898 176.117 -0.001 0.000 1.019 33 I CA -0.833 60.436 61.300 -0.053 0.000 1.302 33 I CB 1.182 39.172 38.000 -0.016 0.000 1.401 33 I HN 0.041 nan 8.210 nan 0.000 0.485 34 K N 5.247 125.653 120.400 0.009 0.000 2.326 34 K HA 0.393 4.713 4.320 -0.000 0.000 0.275 34 K C -1.087 175.529 176.600 0.026 0.000 1.018 34 K CA -0.209 56.091 56.287 0.023 0.000 0.962 34 K CB 0.942 33.452 32.500 0.016 0.000 0.953 34 K HN 0.369 nan 8.250 nan 0.000 0.475 35 V N 3.534 123.464 119.914 0.026 0.000 2.447 35 V HA 0.175 4.295 4.120 -0.000 0.000 0.292 35 V C -0.620 175.475 176.094 0.001 0.000 1.021 35 V CA -0.813 61.470 62.300 -0.028 0.000 0.850 35 V CB 1.770 33.537 31.823 -0.093 0.000 1.005 35 V HN 0.789 nan 8.190 nan 0.000 0.426 36 T N 4.555 119.117 114.554 0.012 0.000 2.771 36 T HA 0.546 4.896 4.350 -0.000 0.000 0.281 36 T C -0.203 174.560 174.700 0.106 0.000 0.982 36 T CA -0.353 61.785 62.100 0.064 0.000 0.978 36 T CB 1.553 70.463 68.868 0.069 0.000 0.930 36 T HN 0.340 nan 8.240 nan 0.000 0.447 37 V N 4.434 124.435 119.914 0.145 0.000 2.370 37 V HA 0.445 4.565 4.120 -0.000 0.000 0.283 37 V C 0.079 176.297 176.094 0.207 0.000 1.023 37 V CA -0.748 61.675 62.300 0.205 0.000 0.857 37 V CB 1.099 33.062 31.823 0.233 0.000 0.985 37 V HN 0.850 nan 8.190 nan 0.000 0.443 38 E N 3.162 123.483 120.200 0.200 0.000 2.299 38 E HA 0.568 4.918 4.350 -0.000 0.000 0.265 38 E C -0.806 175.784 176.600 -0.017 0.000 0.911 38 E CA -0.780 55.648 56.400 0.047 0.000 0.789 38 E CB 1.840 31.523 29.700 -0.028 0.000 1.246 38 E HN 0.885 nan 8.360 nan 0.000 0.427 39 H N -0.421 118.466 119.070 -0.306 0.000 2.439 39 H HA 0.308 4.864 4.556 -0.000 0.000 0.230 39 H C -2.686 172.445 175.328 -0.329 0.000 1.420 39 H CA -2.376 53.475 56.048 -0.329 0.000 1.305 39 H CB -0.606 28.847 29.762 -0.514 0.000 1.667 39 H HN 0.237 nan 8.280 nan 0.000 0.515 40 P HA -0.009 nan 4.420 nan 0.000 0.266 40 P C 0.274 177.383 177.300 -0.318 0.000 1.195 40 P CA 0.129 62.909 63.100 -0.534 0.000 0.768 40 P CB 1.424 32.597 31.700 -0.878 0.000 0.838 41 D N 2.481 122.741 120.400 -0.233 0.000 2.414 41 D HA 0.000 4.640 4.640 -0.000 0.000 0.242 41 D C 0.564 176.790 176.300 -0.125 0.000 1.129 41 D CA 0.331 54.256 54.000 -0.124 0.000 0.885 41 D CB 0.365 41.108 40.800 -0.095 0.000 1.198 41 D HN 0.198 nan 8.370 nan 0.000 0.437 42 K N 0.705 121.069 120.400 -0.060 0.000 3.077 42 K HA -0.209 4.111 4.320 -0.000 0.000 0.264 42 K C 1.108 177.628 176.600 -0.133 0.000 1.008 42 K CA 0.244 56.489 56.287 -0.070 0.000 0.740 42 K CB -1.823 30.641 32.500 -0.059 0.000 1.273 42 K HN 0.437 nan 8.250 nan 0.000 0.477 43 L N -0.839 120.284 121.223 -0.168 0.000 2.291 43 L HA -0.022 4.318 4.340 -0.000 0.000 0.214 43 L C 2.131 178.946 176.870 -0.092 0.000 1.120 43 L CA 1.696 56.429 54.840 -0.178 0.000 0.799 43 L CB -0.357 41.577 42.059 -0.209 0.000 0.925 43 L HN 0.320 nan 8.230 nan 0.000 0.446 44 E N 1.126 121.065 120.200 -0.435 0.000 2.153 44 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 44 E C 1.618 178.173 176.600 -0.075 0.000 0.988 44 E CA 1.827 57.949 56.400 -0.464 0.000 0.811 44 E CB -0.493 28.521 29.700 -1.143 0.000 0.746 44 E HN 0.807 nan 8.360 nan 0.000 0.466 45 E N 0.781 120.927 120.200 -0.090 0.000 2.122 45 E HA 0.011 4.361 4.350 -0.000 0.000 0.190 45 E C 2.160 178.770 176.600 0.017 0.000 0.977 45 E CA 0.358 56.748 56.400 -0.016 0.000 0.820 45 E CB 0.070 29.748 29.700 -0.036 0.000 0.770 45 E HN 0.177 nan 8.360 nan 0.000 0.462 46 K N 0.423 120.842 120.400 0.032 0.000 2.097 46 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 46 K C 1.992 178.693 176.600 0.169 0.000 1.049 46 K CA 0.937 57.279 56.287 0.091 0.000 0.933 46 K CB -0.210 32.337 32.500 0.078 0.000 0.717 46 K HN 0.054 nan 8.250 nan 0.000 0.442 47 F N 2.873 122.869 119.950 0.076 0.000 2.065 47 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 47 F C -1.190 174.445 175.800 -0.276 0.000 1.112 47 F CA 1.270 59.212 58.000 -0.098 0.000 1.212 47 F CB -1.165 37.636 39.000 -0.332 0.000 0.975 47 F HN 0.023 nan 8.300 nan 0.000 0.476 48 P HA -0.190 nan 4.420 nan 0.000 0.219 48 P C 1.259 178.342 177.300 -0.361 0.000 1.146 48 P CA 1.628 64.439 63.100 -0.481 0.000 0.808 48 P CB -0.105 31.490 31.700 -0.176 0.000 0.779 49 Q N -0.357 119.305 119.800 -0.230 0.000 2.137 49 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 49 Q C 2.178 178.066 176.000 -0.188 0.000 0.960 49 Q CA 1.129 56.834 55.803 -0.162 0.000 0.847 49 Q CB -1.176 27.512 28.738 -0.082 0.000 0.915 49 Q HN 0.257 nan 8.270 nan 0.000 0.448 50 V N -2.784 117.000 119.914 -0.216 0.000 2.535 50 V HA 0.101 4.221 4.120 -0.000 0.000 0.246 50 V C 1.984 177.872 176.094 -0.344 0.000 1.045 50 V CA 1.278 63.457 62.300 -0.203 0.000 1.058 50 V CB -1.030 30.742 31.823 -0.085 0.000 0.689 50 V HN 0.185 nan 8.190 nan 0.000 0.461 51 A N 1.145 123.606 122.820 -0.599 0.000 1.902 51 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 51 A C 2.345 179.708 177.584 -0.367 0.000 1.181 51 A CA 2.067 53.742 52.037 -0.604 0.000 0.623 51 A CB -1.090 17.315 19.000 -0.992 0.000 0.818 51 A HN 1.086 nan 8.150 nan 0.000 0.443 52 A N -0.513 122.108 122.820 -0.331 0.000 2.239 52 A HA 0.175 4.495 4.320 -0.000 0.000 0.209 52 A C 1.642 179.131 177.584 -0.158 0.000 1.171 52 A CA 1.721 53.627 52.037 -0.218 0.000 0.768 52 A CB -0.850 18.035 19.000 -0.192 0.000 0.790 52 A HN 0.830 nan 8.150 nan 0.000 0.478 53 T N -6.215 108.245 114.554 -0.157 0.000 3.231 53 T HA 0.445 4.794 4.350 -0.000 0.000 0.292 53 T C 1.153 175.789 174.700 -0.106 0.000 1.001 53 T CA 0.891 62.924 62.100 -0.112 0.000 0.920 53 T CB 0.058 68.871 68.868 -0.092 0.000 1.140 53 T HN 1.557 nan 8.240 nan 0.000 0.525 54 G N 1.067 109.790 108.800 -0.128 0.000 2.162 54 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 54 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 54 G C -0.255 174.576 174.900 -0.115 0.000 0.976 54 G CA 0.331 45.363 45.100 -0.113 0.000 0.655 54 G HN 0.606 nan 8.290 nan 0.000 0.533 55 D N -0.112 120.208 120.400 -0.132 0.000 2.569 55 D HA 0.610 5.250 4.640 -0.000 0.000 0.266 55 D C 1.001 177.193 176.300 -0.181 0.000 1.164 55 D CA 0.885 54.816 54.000 -0.116 0.000 1.071 55 D CB 1.147 41.904 40.800 -0.072 0.000 1.183 55 D HN 1.271 nan 8.370 nan 0.000 0.613 56 G N 0.576 109.278 108.800 -0.164 0.000 2.741 56 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.222 56 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.222 56 G C -2.677 171.952 174.900 -0.451 0.000 1.364 56 G CA -0.804 44.074 45.100 -0.370 0.000 0.866 56 G HN 0.427 nan 8.290 nan 0.000 0.555 57 P HA 0.328 nan 4.420 nan 0.000 0.281 57 P C 0.179 177.300 177.300 -0.297 0.000 1.249 57 P CA -0.251 62.491 63.100 -0.598 0.000 0.810 57 P CB 0.986 32.092 31.700 -0.989 0.000 1.008 58 D N 0.873 121.150 120.400 -0.207 0.000 2.084 58 D HA -0.060 4.580 4.640 -0.000 0.000 0.196 58 D C 0.994 177.211 176.300 -0.137 0.000 0.985 58 D CA 1.716 55.633 54.000 -0.137 0.000 0.826 58 D CB 0.121 40.855 40.800 -0.110 0.000 0.978 58 D HN 0.403 nan 8.370 nan 0.000 0.456 59 I N -1.333 119.142 120.570 -0.158 0.000 2.646 59 I HA 0.470 4.639 4.170 -0.000 0.000 0.299 59 I C -1.221 174.781 176.117 -0.192 0.000 1.036 59 I CA -0.964 60.231 61.300 -0.174 0.000 1.074 59 I CB 2.836 40.736 38.000 -0.166 0.000 1.258 59 I HN -0.160 nan 8.210 nan 0.000 0.430 60 I N 6.209 126.633 120.570 -0.244 0.000 2.499 60 I HA 0.502 4.672 4.170 -0.000 0.000 0.288 60 I C -1.753 174.411 176.117 0.079 0.000 1.048 60 I CA -0.650 60.581 61.300 -0.115 0.000 1.062 60 I CB 1.340 39.032 38.000 -0.514 0.000 1.238 60 I HN 0.629 nan 8.210 nan 0.000 0.426 61 F N 8.033 128.194 119.950 0.352 0.000 2.385 61 F HA 0.469 4.996 4.527 -0.000 0.000 0.360 61 F C -0.430 175.671 175.800 0.501 0.000 1.122 61 F CA -0.065 58.155 58.000 0.366 0.000 1.090 61 F CB 1.031 40.181 39.000 0.250 0.000 1.150 61 F HN 0.426 nan 8.300 nan 0.000 0.472 62 W N 2.516 124.007 121.300 0.319 0.000 3.066 62 W HA 0.580 5.240 4.660 -0.000 0.000 0.330 62 W C -1.166 175.290 176.519 -0.105 0.000 1.253 62 W CA -1.373 56.069 57.345 0.163 0.000 1.187 62 W CB 1.574 31.235 29.460 0.335 0.000 1.434 62 W HN 0.545 nan 8.180 nan 0.000 0.572 63 A N 1.658 124.222 122.820 -0.428 0.000 2.587 63 A HA -0.096 4.224 4.320 -0.000 0.000 0.235 63 A C 0.830 178.331 177.584 -0.138 0.000 1.044 63 A CA 1.464 53.361 52.037 -0.234 0.000 0.754 63 A CB -0.204 18.624 19.000 -0.287 0.000 0.968 63 A HN 0.773 nan 8.150 nan 0.000 0.509 64 H N 0.491 119.443 119.070 -0.196 0.000 2.547 64 H HA -0.023 4.533 4.556 -0.000 0.000 0.272 64 H C 0.935 176.227 175.328 -0.060 0.000 0.989 64 H CA 1.001 56.875 56.048 -0.289 0.000 1.214 64 H CB 0.032 29.682 29.762 -0.187 0.000 1.389 64 H HN 0.704 nan 8.280 nan 0.000 0.577 65 D N 1.415 121.398 120.400 -0.695 0.000 2.084 65 D HA -0.170 4.470 4.640 -0.000 0.000 0.196 65 D C 1.784 178.031 176.300 -0.089 0.000 0.985 65 D CA 0.526 54.332 54.000 -0.323 0.000 0.826 65 D CB -0.422 40.210 40.800 -0.280 0.000 0.978 65 D HN 0.160 nan 8.370 nan 0.000 0.456 66 R N -0.349 120.128 120.500 -0.039 0.000 2.388 66 R HA -0.088 4.252 4.340 -0.000 0.000 0.233 66 R C 1.426 177.457 176.300 -0.449 0.000 1.156 66 R CA 0.297 56.280 56.100 -0.194 0.000 1.036 66 R CB -0.620 29.562 30.300 -0.196 0.000 0.847 66 R HN 0.279 nan 8.270 nan 0.000 0.483 67 F N -1.367 118.342 119.950 -0.403 0.000 2.664 67 F HA 0.173 4.700 4.527 -0.000 0.000 0.296 67 F C 2.287 177.950 175.800 -0.229 0.000 1.125 67 F CA 0.342 58.161 58.000 -0.302 0.000 1.444 67 F CB -0.606 38.382 39.000 -0.020 0.000 1.114 67 F HN 0.031 nan 8.300 nan 0.000 0.576 68 G N -0.133 108.650 108.800 -0.028 0.000 2.394 68 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.215 68 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.215 68 G C 2.072 176.742 174.900 -0.382 0.000 1.165 68 G CA 0.773 45.755 45.100 -0.197 0.000 0.784 68 G HN 0.449 nan 8.290 nan 0.000 0.535 69 G N -0.151 108.508 108.800 -0.235 0.000 2.432 69 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.219 69 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.219 69 G C 1.592 176.458 174.900 -0.056 0.000 1.135 69 G CA 1.007 46.012 45.100 -0.157 0.000 0.767 69 G HN 0.401 nan 8.290 nan 0.000 0.550 70 Y N 1.038 121.267 120.300 -0.119 0.000 2.206 70 Y HA 0.261 4.811 4.550 -0.000 0.000 0.292 70 Y C 3.087 178.884 175.900 -0.172 0.000 1.123 70 Y CA -0.230 57.804 58.100 -0.111 0.000 1.142 70 Y CB -1.327 37.084 38.460 -0.083 0.000 1.006 70 Y HN 0.234 nan 8.280 nan 0.000 0.518 71 A N 0.305 123.051 122.820 -0.122 0.000 1.884 71 A HA -0.348 3.972 4.320 -0.000 0.000 0.219 71 A C 2.260 179.712 177.584 -0.220 0.000 1.197 71 A CA 2.349 54.261 52.037 -0.207 0.000 0.637 71 A CB -1.114 17.657 19.000 -0.382 0.000 0.827 71 A HN 0.547 nan 8.150 nan 0.000 0.450 72 Q N -0.471 119.079 119.800 -0.416 0.000 2.291 72 Q HA -0.095 4.245 4.340 -0.000 0.000 0.206 72 Q C 1.278 177.265 176.000 -0.022 0.000 0.976 72 Q CA 1.382 57.108 55.803 -0.128 0.000 0.875 72 Q CB -0.085 28.598 28.738 -0.091 0.000 0.927 72 Q HN 0.608 nan 8.270 nan 0.000 0.450 73 S N -0.683 114.995 115.700 -0.037 0.000 2.634 73 S HA 0.175 4.645 4.470 -0.000 0.000 0.221 73 S C 0.780 175.362 174.600 -0.029 0.000 0.952 73 S CA 0.403 58.590 58.200 -0.022 0.000 0.930 73 S CB 0.567 63.752 63.200 -0.026 0.000 0.780 73 S HN 0.648 nan 8.310 nan 0.000 0.498 74 G N 1.798 110.587 108.800 -0.018 0.000 2.321 74 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.287 74 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.287 74 G C 0.493 175.373 174.900 -0.034 0.000 1.018 74 G CA 0.429 45.522 45.100 -0.012 0.000 0.855 74 G HN 0.563 nan 8.290 nan 0.000 0.507 75 L N -1.498 119.701 121.223 -0.040 0.000 2.558 75 L HA 0.345 4.685 4.340 -0.000 0.000 0.225 75 L C 1.291 178.154 176.870 -0.013 0.000 1.128 75 L CA 0.314 55.106 54.840 -0.079 0.000 0.868 75 L CB 0.007 41.968 42.059 -0.164 0.000 1.006 75 L HN 0.234 nan 8.230 nan 0.000 0.454 76 L N 0.168 121.398 121.223 0.011 0.000 2.329 76 L HA 0.565 4.905 4.340 -0.000 0.000 0.279 76 L C 0.213 177.092 176.870 0.015 0.000 1.014 76 L CA -0.552 54.296 54.840 0.014 0.000 0.814 76 L CB 1.867 43.930 42.059 0.006 0.000 1.257 76 L HN -0.096 nan 8.230 nan 0.000 0.424 77 A N 2.312 125.139 122.820 0.012 0.000 2.363 77 A HA 0.242 4.562 4.320 -0.000 0.000 0.270 77 A C 0.008 177.605 177.584 0.022 0.000 1.121 77 A CA -0.334 51.712 52.037 0.015 0.000 0.800 77 A CB 0.367 19.375 19.000 0.013 0.000 1.052 77 A HN 0.787 nan 8.150 nan 0.000 0.493 78 E N 2.716 122.928 120.200 0.022 0.000 2.324 78 E HA 0.301 4.651 4.350 -0.000 0.000 0.271 78 E C -0.021 176.575 176.600 -0.006 0.000 1.028 78 E CA -0.387 56.023 56.400 0.017 0.000 0.890 78 E CB 0.228 29.941 29.700 0.021 0.000 1.004 78 E HN 0.590 nan 8.360 nan 0.000 0.431 79 I N 2.077 122.618 120.570 -0.049 0.000 2.581 79 I HA 0.340 4.509 4.170 -0.000 0.000 0.288 79 I C -0.268 175.803 176.117 -0.076 0.000 1.047 79 I CA -0.582 60.662 61.300 -0.094 0.000 1.374 79 I CB 1.524 39.307 38.000 -0.362 0.000 1.423 79 I HN 0.449 nan 8.210 nan 0.000 0.549 80 T N 2.639 117.176 114.554 -0.030 0.000 3.241 80 T HA 0.551 4.900 4.350 -0.000 0.000 0.387 80 T C -2.626 172.067 174.700 -0.011 0.000 1.451 80 T CA -1.428 60.655 62.100 -0.029 0.000 1.363 80 T CB 0.422 69.283 68.868 -0.010 0.000 1.074 80 T HN 0.531 nan 8.240 nan 0.000 0.598 81 P HA 0.384 nan 4.420 nan 0.000 0.296 81 P C -0.315 176.986 177.300 0.001 0.000 1.301 81 P CA -0.488 62.611 63.100 -0.003 0.000 0.862 81 P CB 1.024 32.757 31.700 0.055 0.000 1.046 82 D N 1.562 121.991 120.400 0.049 0.000 2.378 82 D HA -0.045 4.594 4.640 -0.000 0.000 0.238 82 D C 0.668 177.004 176.300 0.059 0.000 1.180 82 D CA -0.202 53.828 54.000 0.050 0.000 0.895 82 D CB 1.245 42.086 40.800 0.069 0.000 1.192 82 D HN 0.325 nan 8.370 nan 0.000 0.438 83 K N 0.056 120.465 120.400 0.014 0.000 2.439 83 K HA -0.028 4.292 4.320 -0.000 0.000 0.197 83 K C 1.789 178.409 176.600 0.034 0.000 1.041 83 K CA 0.573 56.856 56.287 -0.007 0.000 0.970 83 K CB -0.140 32.343 32.500 -0.028 0.000 0.773 83 K HN 0.527 nan 8.250 nan 0.000 0.479 84 A N 0.648 123.508 122.820 0.067 0.000 1.902 84 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 84 A C 1.876 179.526 177.584 0.110 0.000 1.181 84 A CA 1.138 53.221 52.037 0.076 0.000 0.623 84 A CB -0.563 18.488 19.000 0.086 0.000 0.818 84 A HN 0.431 nan 8.150 nan 0.000 0.443 85 F N 0.359 120.335 119.950 0.042 0.000 2.098 85 F HA -0.121 4.406 4.527 -0.000 0.000 0.294 85 F C 2.609 178.499 175.800 0.151 0.000 1.107 85 F CA 1.947 60.005 58.000 0.097 0.000 1.234 85 F CB -0.430 38.647 39.000 0.129 0.000 1.002 85 F HN 0.256 nan 8.300 nan 0.000 0.472 86 Q N -0.119 119.844 119.800 0.271 0.000 2.197 86 Q HA -0.286 4.054 4.340 -0.000 0.000 0.211 86 Q C 1.424 177.525 176.000 0.169 0.000 0.993 86 Q CA 1.974 57.840 55.803 0.106 0.000 0.883 86 Q CB -0.444 28.109 28.738 -0.308 0.000 0.916 86 Q HN 0.456 nan 8.270 nan 0.000 0.418 87 D N -0.123 120.307 120.400 0.050 0.000 2.347 87 D HA -0.038 4.602 4.640 -0.000 0.000 0.215 87 D C 1.110 177.381 176.300 -0.047 0.000 0.976 87 D CA 0.720 54.732 54.000 0.020 0.000 0.884 87 D CB 0.070 40.868 40.800 -0.003 0.000 0.915 87 D HN 0.179 nan 8.370 nan 0.000 0.526 88 K N -0.423 119.903 120.400 -0.123 0.000 2.439 88 K HA 0.020 4.340 4.320 -0.000 0.000 0.197 88 K C -0.052 176.428 176.600 -0.201 0.000 1.041 88 K CA 0.296 56.452 56.287 -0.219 0.000 0.970 88 K CB 0.436 32.699 32.500 -0.395 0.000 0.773 88 K HN 0.019 nan 8.250 nan 0.000 0.479 89 L N 0.148 121.336 121.223 -0.058 0.000 2.342 89 L HA 0.269 4.609 4.340 -0.000 0.000 0.271 89 L C -0.507 176.370 176.870 0.011 0.000 1.008 89 L CA -0.886 53.931 54.840 -0.039 0.000 0.818 89 L CB 0.729 42.763 42.059 -0.041 0.000 1.296 89 L HN -0.039 nan 8.230 nan 0.000 0.427 90 Y N 4.231 124.513 120.300 -0.030 0.000 2.721 90 Y HA -0.022 4.528 4.550 -0.000 0.000 0.329 90 Y C -1.046 174.896 175.900 0.070 0.000 1.211 90 Y CA -0.660 57.467 58.100 0.044 0.000 1.512 90 Y CB -0.096 38.401 38.460 0.061 0.000 1.249 90 Y HN 0.559 nan 8.280 nan 0.000 0.549 91 P HA -0.313 nan 4.420 nan 0.000 0.217 91 P C 1.401 178.922 177.300 0.369 0.000 1.158 91 P CA 1.982 65.318 63.100 0.393 0.000 0.887 91 P CB -0.260 31.628 31.700 0.314 0.000 0.792 92 F N 0.011 120.064 119.950 0.173 0.000 2.604 92 F HA 0.015 4.542 4.527 -0.000 0.000 0.298 92 F C 1.805 177.614 175.800 0.014 0.000 1.131 92 F CA 1.217 59.271 58.000 0.090 0.000 1.457 92 F CB -1.831 37.195 39.000 0.043 0.000 1.095 92 F HN -0.100 nan 8.300 nan 0.000 0.574 93 T N -3.685 110.369 114.554 -0.834 0.000 3.085 93 T HA -0.123 4.227 4.350 -0.000 0.000 0.263 93 T C 1.178 175.557 174.700 -0.535 0.000 1.127 93 T CA 0.666 62.281 62.100 -0.809 0.000 1.103 93 T CB -0.967 67.410 68.868 -0.818 0.000 0.921 93 T HN 0.601 nan 8.240 nan 0.000 0.510 94 W N 1.406 122.643 121.300 -0.105 0.000 2.658 94 W HA 0.253 4.913 4.660 -0.000 0.000 0.263 94 W C 1.652 178.175 176.519 0.007 0.000 1.274 94 W CA -0.330 57.005 57.345 -0.016 0.000 1.343 94 W CB 0.133 29.613 29.460 0.034 0.000 1.106 94 W HN 0.189 nan 8.180 nan 0.000 0.615 95 D N 0.182 120.679 120.400 0.160 0.000 2.312 95 D HA -0.059 4.581 4.640 -0.000 0.000 0.211 95 D C 2.106 178.394 176.300 -0.020 0.000 0.964 95 D CA 1.172 55.224 54.000 0.086 0.000 0.877 95 D CB -0.275 40.492 40.800 -0.055 0.000 0.924 95 D HN 0.154 nan 8.370 nan 0.000 0.515 96 A N 0.438 123.197 122.820 -0.102 0.000 2.072 96 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 96 A C 1.670 179.240 177.584 -0.024 0.000 1.156 96 A CA 0.591 52.479 52.037 -0.248 0.000 0.701 96 A CB 0.069 18.682 19.000 -0.644 0.000 0.816 96 A HN 0.174 nan 8.150 nan 0.000 0.458 97 V N -2.751 117.212 119.914 0.081 0.000 2.894 97 V HA 0.466 4.586 4.120 -0.000 0.000 0.373 97 V C -0.092 176.159 176.094 0.262 0.000 1.286 97 V CA -0.672 61.739 62.300 0.186 0.000 1.331 97 V CB -0.778 31.133 31.823 0.148 0.000 1.415 97 V HN 0.312 nan 8.190 nan 0.000 0.585 98 R N 0.781 121.456 120.500 0.292 0.000 2.437 98 R HA 0.572 4.912 4.340 -0.000 0.000 0.310 98 R C -1.919 174.598 176.300 0.362 0.000 0.955 98 R CA -0.623 55.654 56.100 0.295 0.000 0.851 98 R CB 2.556 33.023 30.300 0.279 0.000 1.161 98 R HN 0.500 nan 8.270 nan 0.000 0.446 99 Y N 3.121 123.525 120.300 0.174 0.000 2.338 99 Y HA 0.158 4.708 4.550 -0.000 0.000 0.333 99 Y C -0.355 175.605 175.900 0.100 0.000 0.968 99 Y CA -0.851 57.342 58.100 0.155 0.000 1.123 99 Y CB 1.184 39.732 38.460 0.147 0.000 1.165 99 Y HN 0.669 nan 8.280 nan 0.000 0.452 100 N N 4.317 122.876 118.700 -0.235 0.000 2.688 100 N HA -0.222 4.518 4.740 -0.000 0.000 0.258 100 N C 1.041 176.533 175.510 -0.029 0.000 1.016 100 N CA 1.698 54.663 53.050 -0.141 0.000 0.747 100 N CB -0.956 37.472 38.487 -0.098 0.000 0.895 100 N HN 1.269 nan 8.380 nan 0.000 0.543 101 G N -1.390 107.395 108.800 -0.024 0.000 2.377 101 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.250 101 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.250 101 G C 0.138 175.061 174.900 0.040 0.000 1.039 101 G CA 1.083 46.180 45.100 -0.006 0.000 0.625 101 G HN 0.556 nan 8.290 nan 0.000 0.526 102 K N 0.864 121.307 120.400 0.073 0.000 2.205 102 K HA 0.650 4.970 4.320 -0.000 0.000 0.279 102 K C 0.595 177.263 176.600 0.113 0.000 1.027 102 K CA -0.630 55.704 56.287 0.078 0.000 0.932 102 K CB 1.390 33.942 32.500 0.087 0.000 1.032 102 K HN 0.237 nan 8.250 nan 0.000 0.466 103 L N 4.694 125.964 121.223 0.079 0.000 2.410 103 L HA 0.093 4.433 4.340 -0.000 0.000 0.273 103 L C 0.846 177.772 176.870 0.093 0.000 1.144 103 L CA -0.100 54.802 54.840 0.104 0.000 0.863 103 L CB 0.110 42.196 42.059 0.044 0.000 1.140 103 L HN 0.747 nan 8.230 nan 0.000 0.463 104 I N -0.050 120.608 120.570 0.146 0.000 4.327 104 I HA 0.608 4.778 4.170 -0.000 0.000 0.331 104 I C 0.372 176.587 176.117 0.165 0.000 1.348 104 I CA -0.076 61.311 61.300 0.144 0.000 1.152 104 I CB 0.497 38.612 38.000 0.192 0.000 1.151 104 I HN 0.441 nan 8.210 nan 0.000 0.410 105 A N -0.380 122.532 122.820 0.154 0.000 2.601 105 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 105 A C -2.041 175.570 177.584 0.046 0.000 1.075 105 A CA -0.470 51.664 52.037 0.161 0.000 0.671 105 A CB 0.424 19.663 19.000 0.398 0.000 1.277 105 A HN 0.099 nan 8.150 nan 0.000 0.417 106 Y N 0.930 121.332 120.300 0.170 0.000 2.367 106 Y HA 0.437 4.986 4.550 -0.000 0.000 0.342 106 Y C -2.173 173.703 175.900 -0.039 0.000 0.979 106 Y CA -1.928 56.236 58.100 0.107 0.000 1.161 106 Y CB 0.859 39.403 38.460 0.139 0.000 1.155 106 Y HN 0.389 nan 8.280 nan 0.000 0.503 107 P HA 0.006 nan 4.420 nan 0.000 0.267 107 P C 0.038 177.311 177.300 -0.045 0.000 1.200 107 P CA 0.531 63.513 63.100 -0.197 0.000 0.772 107 P CB 0.990 32.377 31.700 -0.522 0.000 0.855 108 I N -0.155 120.408 120.570 -0.012 0.000 4.079 108 I HA 0.322 4.492 4.170 -0.000 0.000 0.276 108 I C 0.600 176.723 176.117 0.011 0.000 1.146 108 I CA 0.329 61.660 61.300 0.051 0.000 1.324 108 I CB -0.705 37.389 38.000 0.155 0.000 1.638 108 I HN 0.258 nan 8.210 nan 0.000 0.436 109 A N 1.275 124.088 122.820 -0.011 0.000 2.498 109 A HA 0.770 5.090 4.320 -0.000 0.000 0.298 109 A C -1.163 176.400 177.584 -0.035 0.000 1.075 109 A CA -0.374 51.653 52.037 -0.016 0.000 0.714 109 A CB 2.277 21.271 19.000 -0.010 0.000 1.299 109 A HN -0.119 nan 8.150 nan 0.000 0.407 110 V N 0.959 120.859 119.914 -0.023 0.000 2.680 110 V HA 0.695 4.815 4.120 -0.000 0.000 0.309 110 V C -0.247 175.863 176.094 0.027 0.000 1.052 110 V CA -0.407 61.891 62.300 -0.004 0.000 0.908 110 V CB 1.755 33.575 31.823 -0.005 0.000 1.001 110 V HN 0.985 nan 8.190 nan 0.000 0.431 111 E N 2.099 122.341 120.200 0.070 0.000 2.308 111 E HA 0.801 5.151 4.350 -0.000 0.000 0.275 111 E C -1.224 175.470 176.600 0.157 0.000 0.890 111 E CA -0.449 56.004 56.400 0.089 0.000 0.754 111 E CB 2.286 32.055 29.700 0.115 0.000 1.207 111 E HN 0.984 nan 8.360 nan 0.000 0.426 112 A N 3.532 126.428 122.820 0.127 0.000 2.608 112 A HA 0.465 4.785 4.320 -0.000 0.000 0.292 112 A C -1.460 176.171 177.584 0.078 0.000 1.066 112 A CA -0.748 51.380 52.037 0.152 0.000 0.676 112 A CB 0.781 19.845 19.000 0.105 0.000 1.277 112 A HN 0.581 nan 8.150 nan 0.000 0.413 113 L N 1.025 122.294 121.223 0.078 0.000 2.467 113 L HA 0.473 4.812 4.340 -0.000 0.000 0.270 113 L C 0.585 177.456 176.870 0.002 0.000 1.205 113 L CA 0.137 54.990 54.840 0.021 0.000 0.828 113 L CB 1.152 43.219 42.059 0.013 0.000 1.101 113 L HN 0.709 nan 8.230 nan 0.000 0.479 114 S N 1.188 116.885 115.700 -0.004 0.000 2.595 114 S HA 0.498 4.968 4.470 -0.000 0.000 0.281 114 S C -1.091 173.510 174.600 0.002 0.000 1.117 114 S CA -0.627 57.586 58.200 0.022 0.000 0.873 114 S CB 2.071 65.324 63.200 0.088 0.000 1.108 114 S HN 0.403 nan 8.310 nan 0.000 0.477 115 L N 3.330 124.546 121.223 -0.013 0.000 2.278 115 L HA 0.608 4.947 4.340 -0.000 0.000 0.287 115 L C -1.203 175.694 176.870 0.045 0.000 1.072 115 L CA 0.287 55.098 54.840 -0.048 0.000 0.819 115 L CB -0.203 41.790 42.059 -0.110 0.000 1.176 115 L HN 0.553 nan 8.230 nan 0.000 0.435 116 I N 5.939 126.499 120.570 -0.017 0.000 2.525 116 I HA 0.515 4.685 4.170 -0.000 0.000 0.301 116 I C -0.893 175.267 176.117 0.072 0.000 0.992 116 I CA -0.704 60.582 61.300 -0.023 0.000 1.162 116 I CB 1.559 39.365 38.000 -0.323 0.000 1.332 116 I HN 0.708 nan 8.210 nan 0.000 0.458 117 Y N 2.739 123.099 120.300 0.101 0.000 2.624 117 Y HA 0.492 5.041 4.550 -0.000 0.000 0.334 117 Y C -1.276 174.909 175.900 0.476 0.000 1.155 117 Y CA -1.454 56.833 58.100 0.312 0.000 1.046 117 Y CB 0.845 39.383 38.460 0.130 0.000 1.316 117 Y HN 0.450 nan 8.280 nan 0.000 0.457 118 N N 2.066 121.059 118.700 0.489 0.000 2.422 118 N HA 0.255 4.995 4.740 -0.000 0.000 0.266 118 N C -0.198 175.414 175.510 0.170 0.000 1.007 118 N CA -0.380 52.758 53.050 0.148 0.000 0.941 118 N CB 1.547 39.973 38.487 -0.102 0.000 1.115 118 N HN 0.909 nan 8.380 nan 0.000 0.492 119 K N 1.947 122.386 120.400 0.066 0.000 2.186 119 K HA 0.007 4.327 4.320 -0.000 0.000 0.202 119 K C 0.296 176.931 176.600 0.059 0.000 1.052 119 K CA 0.834 57.184 56.287 0.104 0.000 0.965 119 K CB 0.369 32.873 32.500 0.008 0.000 0.746 119 K HN 0.461 nan 8.250 nan 0.000 0.457 120 D N 0.883 121.290 120.400 0.012 0.000 2.310 120 D HA -0.064 4.576 4.640 -0.000 0.000 0.212 120 D C 1.531 177.834 176.300 0.004 0.000 0.965 120 D CA 0.889 54.887 54.000 -0.003 0.000 0.879 120 D CB 0.166 40.951 40.800 -0.026 0.000 0.921 120 D HN 0.162 nan 8.370 nan 0.000 0.510 121 L N -0.968 120.265 121.223 0.018 0.000 2.515 121 L HA 0.212 4.552 4.340 -0.000 0.000 0.223 121 L C -0.016 176.883 176.870 0.048 0.000 1.079 121 L CA 0.035 54.888 54.840 0.022 0.000 0.857 121 L CB 0.819 42.883 42.059 0.009 0.000 1.050 121 L HN -0.041 nan 8.230 nan 0.000 0.476 122 L N 0.696 121.972 121.223 0.089 0.000 2.666 122 L HA 0.370 4.709 4.340 -0.000 0.000 0.258 122 L C -2.441 174.518 176.870 0.148 0.000 0.991 122 L CA -1.108 53.786 54.840 0.092 0.000 0.916 122 L CB 1.426 43.541 42.059 0.092 0.000 1.199 122 L HN -0.283 nan 8.230 nan 0.000 0.439 123 P HA 0.080 nan 4.420 nan 0.000 0.230 123 P C -0.435 176.907 177.300 0.071 0.000 1.168 123 P CA 0.668 63.832 63.100 0.107 0.000 0.793 123 P CB 0.371 32.099 31.700 0.047 0.000 0.851 124 N N 1.581 120.265 118.700 -0.027 0.000 2.564 124 N HA 0.235 4.975 4.740 -0.000 0.000 0.248 124 N C -2.630 172.736 175.510 -0.240 0.000 0.986 124 N CA -1.297 51.686 53.050 -0.112 0.000 0.921 124 N CB 1.644 40.085 38.487 -0.077 0.000 1.136 124 N HN 0.144 nan 8.380 nan 0.000 0.509 125 P HA 0.215 nan 4.420 nan 0.000 0.275 125 P C -2.450 174.645 177.300 -0.342 0.000 1.227 125 P CA -0.831 61.915 63.100 -0.591 0.000 0.781 125 P CB 0.274 31.256 31.700 -1.197 0.000 0.906 126 P HA 0.194 nan 4.420 nan 0.000 0.272 126 P C 0.219 177.400 177.300 -0.199 0.000 1.230 126 P CA -0.179 62.807 63.100 -0.191 0.000 0.788 126 P CB 1.216 32.817 31.700 -0.166 0.000 0.949 127 K N -0.538 119.773 120.400 -0.148 0.000 2.358 127 K HA 0.130 4.450 4.320 -0.000 0.000 0.197 127 K C 0.618 177.148 176.600 -0.116 0.000 1.025 127 K CA 0.395 56.603 56.287 -0.131 0.000 1.104 127 K CB 0.334 32.778 32.500 -0.094 0.000 0.855 127 K HN 0.644 nan 8.250 nan 0.000 0.531 128 T N -3.962 110.524 114.554 -0.114 0.000 2.912 128 T HA 0.220 4.570 4.350 -0.000 0.000 0.299 128 T C 0.188 174.867 174.700 -0.035 0.000 1.052 128 T CA -0.903 61.168 62.100 -0.048 0.000 0.996 128 T CB 0.941 69.797 68.868 -0.020 0.000 1.070 128 T HN 0.138 nan 8.240 nan 0.000 0.465 129 W N 1.143 122.462 121.300 0.031 0.000 2.350 129 W HA 0.026 4.686 4.660 -0.000 0.000 0.289 129 W C 1.996 178.597 176.519 0.138 0.000 1.215 129 W CA 1.203 58.614 57.345 0.110 0.000 1.236 129 W CB -0.180 29.367 29.460 0.145 0.000 1.130 129 W HN 0.810 nan 8.180 nan 0.000 0.541 130 E N 0.061 120.386 120.200 0.209 0.000 2.204 130 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 130 E C 1.742 178.450 176.600 0.180 0.000 0.989 130 E CA 1.570 58.045 56.400 0.125 0.000 0.824 130 E CB -0.591 29.082 29.700 -0.045 0.000 0.756 130 E HN 0.498 nan 8.360 nan 0.000 0.477 131 E N 0.495 120.755 120.200 0.100 0.000 2.511 131 E HA -0.027 4.323 4.350 -0.000 0.000 0.196 131 E C 1.497 178.123 176.600 0.044 0.000 1.066 131 E CA 0.239 56.669 56.400 0.051 0.000 0.871 131 E CB -0.125 29.574 29.700 -0.002 0.000 0.863 131 E HN 0.300 nan 8.360 nan 0.000 0.520 132 I N 1.772 122.401 120.570 0.099 0.000 2.333 132 I HA -0.082 4.088 4.170 -0.000 0.000 0.246 132 I C -0.497 175.564 176.117 -0.092 0.000 1.106 132 I CA 0.279 61.598 61.300 0.032 0.000 1.411 132 I CB -1.184 36.880 38.000 0.108 0.000 1.082 132 I HN 0.075 nan 8.210 nan 0.000 0.420 133 P HA -0.273 nan 4.420 nan 0.000 0.214 133 P C 1.585 178.758 177.300 -0.213 0.000 1.169 133 P CA 2.404 65.224 63.100 -0.466 0.000 0.908 133 P CB -0.135 31.485 31.700 -0.135 0.000 0.791 134 A N -0.020 122.774 122.820 -0.043 0.000 1.909 134 A HA -0.243 4.077 4.320 -0.000 0.000 0.221 134 A C 2.262 179.835 177.584 -0.018 0.000 1.223 134 A CA 2.435 54.469 52.037 -0.004 0.000 0.658 134 A CB -1.789 17.219 19.000 0.014 0.000 0.831 134 A HN 0.221 nan 8.150 nan 0.000 0.462 135 L N -0.217 120.985 121.223 -0.035 0.000 2.217 135 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 135 L C 1.747 178.605 176.870 -0.020 0.000 1.107 135 L CA 2.565 57.390 54.840 -0.025 0.000 0.783 135 L CB -0.906 41.134 42.059 -0.031 0.000 0.919 135 L HN 0.484 nan 8.230 nan 0.000 0.442 136 D N -0.718 119.647 120.400 -0.058 0.000 2.149 136 D HA -0.169 4.471 4.640 -0.000 0.000 0.201 136 D C 2.090 178.428 176.300 0.063 0.000 0.972 136 D CA 1.170 55.166 54.000 -0.006 0.000 0.835 136 D CB 0.201 40.965 40.800 -0.060 0.000 0.966 136 D HN 0.279 nan 8.370 nan 0.000 0.476 137 K N 0.349 120.791 120.400 0.070 0.000 2.001 137 K HA -0.172 4.148 4.320 -0.000 0.000 0.214 137 K C 2.168 178.799 176.600 0.052 0.000 1.050 137 K CA 1.432 57.772 56.287 0.089 0.000 0.934 137 K CB -0.192 32.361 32.500 0.087 0.000 0.718 137 K HN 0.208 nan 8.250 nan 0.000 0.443 138 E N 0.490 120.710 120.200 0.033 0.000 2.169 138 E HA -0.248 4.102 4.350 -0.000 0.000 0.202 138 E C 1.986 178.601 176.600 0.024 0.000 1.016 138 E CA 1.353 57.767 56.400 0.023 0.000 0.817 138 E CB -0.103 29.604 29.700 0.012 0.000 0.736 138 E HN 0.254 nan 8.360 nan 0.000 0.462 139 L N 0.128 121.368 121.223 0.030 0.000 2.253 139 L HA -0.049 4.291 4.340 -0.000 0.000 0.205 139 L C 2.208 179.099 176.870 0.035 0.000 1.078 139 L CA 0.413 55.271 54.840 0.030 0.000 0.805 139 L CB 0.009 42.088 42.059 0.034 0.000 0.963 139 L HN -0.114 nan 8.230 nan 0.000 0.459 140 K N 0.411 120.840 120.400 0.048 0.000 2.209 140 K HA -0.086 4.233 4.320 -0.000 0.000 0.204 140 K C 2.054 178.673 176.600 0.032 0.000 1.048 140 K CA 1.227 57.542 56.287 0.046 0.000 0.940 140 K CB -0.291 32.247 32.500 0.063 0.000 0.729 140 K HN 0.279 nan 8.250 nan 0.000 0.451 141 A N 2.252 125.090 122.820 0.030 0.000 1.972 141 A HA -0.174 4.145 4.320 -0.000 0.000 0.219 141 A C 1.573 179.167 177.584 0.015 0.000 1.169 141 A CA 1.468 53.518 52.037 0.021 0.000 0.635 141 A CB -0.229 18.783 19.000 0.020 0.000 0.810 141 A HN 0.414 nan 8.150 nan 0.000 0.446 142 K N -1.510 118.899 120.400 0.015 0.000 2.576 142 K HA 0.424 4.744 4.320 -0.000 0.000 0.209 142 K C 0.647 177.252 176.600 0.010 0.000 1.049 142 K CA 0.239 56.532 56.287 0.010 0.000 1.140 142 K CB -0.264 32.241 32.500 0.007 0.000 0.871 142 K HN 0.669 nan 8.250 nan 0.000 0.479 143 G N 1.834 110.642 108.800 0.013 0.000 2.221 143 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.265 143 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.265 143 G C -0.465 174.443 174.900 0.014 0.000 1.041 143 G CA 0.174 45.282 45.100 0.012 0.000 0.807 143 G HN 0.308 nan 8.290 nan 0.000 0.502 144 K N -0.302 120.110 120.400 0.020 0.000 2.444 144 K HA 0.721 5.041 4.320 -0.000 0.000 0.252 144 K C 0.038 176.662 176.600 0.040 0.000 0.993 144 K CA -0.229 56.072 56.287 0.023 0.000 0.847 144 K CB 2.040 34.550 32.500 0.017 0.000 1.340 144 K HN 0.444 nan 8.250 nan 0.000 0.446 145 S N -0.677 115.053 115.700 0.051 0.000 2.578 145 S HA 0.555 5.025 4.470 -0.000 0.000 0.301 145 S C 0.833 175.482 174.600 0.080 0.000 1.091 145 S CA -0.565 57.678 58.200 0.071 0.000 1.032 145 S CB 1.848 65.094 63.200 0.077 0.000 1.064 145 S HN 0.644 nan 8.310 nan 0.000 0.508 146 A N 0.955 123.824 122.820 0.082 0.000 1.840 146 A HA 0.331 4.651 4.320 -0.000 0.000 0.214 146 A C 0.524 178.172 177.584 0.107 0.000 1.198 146 A CA 1.080 53.160 52.037 0.073 0.000 0.608 146 A CB -0.561 18.461 19.000 0.036 0.000 0.839 146 A HN 0.803 nan 8.150 nan 0.000 0.443 147 L N -1.279 120.025 121.223 0.135 0.000 2.431 147 L HA 0.741 5.081 4.340 -0.000 0.000 0.266 147 L C -1.140 175.872 176.870 0.237 0.000 0.978 147 L CA -0.206 54.749 54.840 0.191 0.000 0.822 147 L CB 1.821 44.002 42.059 0.203 0.000 1.310 147 L HN 0.377 nan 8.230 nan 0.000 0.409 148 M N 6.240 126.000 119.600 0.267 0.000 2.224 148 M HA 0.586 5.066 4.480 -0.000 0.000 0.281 148 M C -1.633 174.830 176.300 0.271 0.000 1.025 148 M CA -0.367 55.053 55.300 0.199 0.000 0.954 148 M CB 1.964 34.632 32.600 0.112 0.000 1.639 148 M HN 0.581 nan 8.290 nan 0.000 0.461 149 F N 0.338 120.290 119.950 0.004 0.000 2.713 149 F HA 0.546 5.073 4.527 -0.000 0.000 0.311 149 F C -0.780 174.957 175.800 -0.106 0.000 1.141 149 F CA -1.339 56.628 58.000 -0.054 0.000 0.939 149 F CB 0.806 39.836 39.000 0.050 0.000 1.325 149 F HN 0.445 nan 8.300 nan 0.000 0.453 150 N N 2.101 120.651 118.700 -0.251 0.000 2.418 150 N HA 0.075 4.815 4.740 -0.000 0.000 0.277 150 N C 0.418 175.784 175.510 -0.240 0.000 1.317 150 N CA 0.266 53.096 53.050 -0.367 0.000 0.922 150 N CB 0.357 38.383 38.487 -0.768 0.000 1.194 150 N HN 0.812 nan 8.380 nan 0.000 0.485 151 L N 2.090 123.150 121.223 -0.272 0.000 2.307 151 L HA -0.041 4.299 4.340 -0.000 0.000 0.211 151 L C 1.938 178.804 176.870 -0.007 0.000 1.099 151 L CA 0.250 54.980 54.840 -0.182 0.000 0.816 151 L CB -0.163 41.746 42.059 -0.250 0.000 0.952 151 L HN 0.478 nan 8.230 nan 0.000 0.455 152 Q N 0.560 120.358 119.800 -0.004 0.000 2.030 152 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 152 Q C 0.848 176.916 176.000 0.113 0.000 0.986 152 Q CA 1.293 57.120 55.803 0.040 0.000 0.843 152 Q CB -0.377 28.375 28.738 0.024 0.000 0.904 152 Q HN 0.274 nan 8.270 nan 0.000 0.420 153 E N 0.873 121.189 120.200 0.194 0.000 2.259 153 E HA 0.078 4.428 4.350 -0.000 0.000 0.281 153 E C -1.820 175.050 176.600 0.451 0.000 1.027 153 E CA -2.124 54.465 56.400 0.314 0.000 0.838 153 E CB 1.269 31.232 29.700 0.438 0.000 1.066 153 E HN -0.104 nan 8.360 nan 0.000 0.401 154 P HA -0.147 nan 4.420 nan 0.000 0.218 154 P C 0.935 178.638 177.300 0.672 0.000 1.149 154 P CA 0.842 64.260 63.100 0.529 0.000 0.817 154 P CB -0.107 31.916 31.700 0.539 0.000 0.785 155 Y N 0.007 120.615 120.300 0.513 0.000 2.181 155 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 155 Y C 1.795 177.873 175.900 0.297 0.000 1.179 155 Y CA 1.707 60.034 58.100 0.377 0.000 1.179 155 Y CB -1.008 37.366 38.460 -0.143 0.000 0.973 155 Y HN -0.170 nan 8.280 nan 0.000 0.519 156 F N -0.966 119.214 119.950 0.383 0.000 2.317 156 F HA -0.044 4.483 4.527 -0.000 0.000 0.293 156 F C 2.641 178.673 175.800 0.387 0.000 1.085 156 F CA 1.399 59.610 58.000 0.352 0.000 1.390 156 F CB -0.920 38.405 39.000 0.542 0.000 1.077 156 F HN 0.065 nan 8.300 nan 0.000 0.517 157 T N -2.493 112.433 114.554 0.621 0.000 2.985 157 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 157 T C 1.941 176.838 174.700 0.329 0.000 1.076 157 T CA 0.413 62.804 62.100 0.485 0.000 1.135 157 T CB -0.938 68.156 68.868 0.377 0.000 0.890 157 T HN 0.511 nan 8.240 nan 0.000 0.480 158 W N 2.972 124.368 121.300 0.161 0.000 2.301 158 W HA -0.167 4.493 4.660 -0.000 0.000 0.325 158 W C -1.444 175.013 176.519 -0.104 0.000 1.250 158 W CA 1.788 59.159 57.345 0.042 0.000 1.261 158 W CB -1.298 28.203 29.460 0.068 0.000 1.157 158 W HN 0.261 nan 8.180 nan 0.000 0.473 159 P HA -0.278 nan 4.420 nan 0.000 0.219 159 P C 1.739 178.845 177.300 -0.324 0.000 1.158 159 P CA 2.319 65.293 63.100 -0.210 0.000 0.895 159 P CB -0.668 31.017 31.700 -0.025 0.000 0.792 160 L N -0.888 120.102 121.223 -0.389 0.000 1.988 160 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 160 L C 2.388 178.843 176.870 -0.691 0.000 1.071 160 L CA 1.646 56.016 54.840 -0.783 0.000 0.744 160 L CB -1.495 39.917 42.059 -1.079 0.000 0.893 160 L HN -0.136 nan 8.230 nan 0.000 0.433 161 I N 0.252 120.502 120.570 -0.533 0.000 2.091 161 I HA -0.369 3.801 4.170 -0.000 0.000 0.239 161 I C 2.550 178.257 176.117 -0.683 0.000 1.061 161 I CA 1.725 62.723 61.300 -0.503 0.000 1.317 161 I CB -0.792 37.035 38.000 -0.288 0.000 1.031 161 I HN 0.406 nan 8.210 nan 0.000 0.401 162 A N 0.453 122.601 122.820 -1.120 0.000 2.067 162 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 162 A C 2.498 179.769 177.584 -0.522 0.000 1.158 162 A CA 1.414 52.784 52.037 -1.111 0.000 0.661 162 A CB -0.714 17.220 19.000 -1.777 0.000 0.801 162 A HN 0.474 nan 8.150 nan 0.000 0.452 163 A N 0.479 123.043 122.820 -0.426 0.000 1.870 163 A HA -0.272 4.047 4.320 -0.000 0.000 0.219 163 A C 1.531 179.071 177.584 -0.075 0.000 1.224 163 A CA 2.090 54.009 52.037 -0.198 0.000 0.650 163 A CB -0.758 18.160 19.000 -0.136 0.000 0.836 163 A HN 0.439 nan 8.150 nan 0.000 0.454 164 D N -1.228 119.169 120.400 -0.006 0.000 3.032 164 D HA 0.378 5.018 4.640 -0.000 0.000 0.241 164 D C 0.988 177.291 176.300 0.004 0.000 1.196 164 D CA 1.051 55.075 54.000 0.040 0.000 0.927 164 D CB -0.828 40.052 40.800 0.134 0.000 1.129 164 D HN 0.710 nan 8.370 nan 0.000 0.458 165 G N 0.010 108.808 108.800 -0.003 0.000 2.194 165 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.236 165 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.236 165 G C 0.783 175.754 174.900 0.118 0.000 0.987 165 G CA -0.150 44.984 45.100 0.056 0.000 0.635 165 G HN 0.722 nan 8.290 nan 0.000 0.520 166 G N -0.164 108.634 108.800 -0.004 0.000 2.636 166 G HA2 0.684 4.644 3.960 -0.000 0.000 0.246 166 G HA3 0.684 4.644 3.960 -0.000 0.000 0.246 166 G C -0.232 174.763 174.900 0.159 0.000 1.216 166 G CA 0.479 45.556 45.100 -0.038 0.000 0.854 166 G HN 1.654 nan 8.290 nan 0.000 0.572 167 Y N -2.976 117.448 120.300 0.206 0.000 2.764 167 Y HA 0.701 5.251 4.550 -0.000 0.000 0.331 167 Y C 0.701 176.910 175.900 0.515 0.000 1.280 167 Y CA -0.677 57.664 58.100 0.403 0.000 1.065 167 Y CB 0.599 39.212 38.460 0.255 0.000 1.319 167 Y HN 0.714 nan 8.280 nan 0.000 0.453 168 A N 0.780 123.913 122.820 0.522 0.000 1.974 168 A HA 0.471 4.790 4.320 -0.000 0.000 0.219 168 A C -0.548 176.979 177.584 -0.095 0.000 1.479 168 A CA 0.826 52.883 52.037 0.033 0.000 0.615 168 A CB -0.401 18.387 19.000 -0.354 0.000 1.130 168 A HN 0.520 nan 8.150 nan 0.000 0.497 169 F N -0.629 119.569 119.950 0.415 0.000 2.520 169 F HA 0.542 5.069 4.527 -0.000 0.000 0.322 169 F C 0.035 176.204 175.800 0.615 0.000 1.103 169 F CA -1.129 57.142 58.000 0.451 0.000 0.926 169 F CB 1.672 40.805 39.000 0.223 0.000 1.154 169 F HN 0.047 nan 8.300 nan 0.000 0.453 170 K N 2.436 123.250 120.400 0.690 0.000 2.447 170 K HA 0.022 4.342 4.320 -0.000 0.000 0.281 170 K C -1.456 175.338 176.600 0.324 0.000 1.031 170 K CA 0.286 56.750 56.287 0.295 0.000 1.019 170 K CB -0.083 32.524 32.500 0.179 0.000 0.918 170 K HN 0.601 nan 8.250 nan 0.000 0.476 171 Y N 3.809 124.116 120.300 0.011 0.000 2.341 171 Y HA 0.155 4.705 4.550 -0.000 0.000 0.340 171 Y C 0.530 176.330 175.900 -0.167 0.000 0.997 171 Y CA 0.131 58.069 58.100 -0.270 0.000 1.149 171 Y CB 1.026 39.303 38.460 -0.305 0.000 1.171 171 Y HN 0.856 nan 8.280 nan 0.000 0.494 172 E N 2.462 122.344 120.200 -0.530 0.000 2.306 172 E HA 0.119 4.469 4.350 -0.000 0.000 0.201 172 E C 0.246 176.617 176.600 -0.382 0.000 0.874 172 E CA 0.223 56.429 56.400 -0.324 0.000 0.972 172 E CB 0.426 30.007 29.700 -0.199 0.000 0.957 172 E HN 0.525 nan 8.360 nan 0.000 0.492 173 N N -0.905 117.446 118.700 -0.582 0.000 2.836 173 N HA 0.083 4.823 4.740 -0.000 0.000 0.311 173 N C 0.895 176.137 175.510 -0.448 0.000 0.752 173 N CA 1.165 53.984 53.050 -0.386 0.000 1.351 173 N CB 0.919 39.271 38.487 -0.224 0.000 1.334 173 N HN 0.156 nan 8.380 nan 0.000 1.396 174 G N -0.394 108.148 108.800 -0.429 0.000 3.443 174 G HA2 0.270 4.229 3.960 -0.000 0.000 0.252 174 G HA3 0.270 4.229 3.960 -0.000 0.000 0.252 174 G C 0.189 174.906 174.900 -0.305 0.000 1.015 174 G CA 0.172 45.104 45.100 -0.280 0.000 0.891 174 G HN 0.109 nan 8.290 nan 0.000 0.510 175 K N -0.387 119.728 120.400 -0.476 0.000 2.399 175 K HA 0.693 5.013 4.320 -0.000 0.000 0.260 175 K C -1.873 174.478 176.600 -0.415 0.000 1.049 175 K CA -1.187 54.908 56.287 -0.319 0.000 0.890 175 K CB 1.224 33.605 32.500 -0.198 0.000 1.430 175 K HN -0.010 nan 8.250 nan 0.000 0.459 176 Y N 0.377 120.652 120.300 -0.041 0.000 2.377 176 Y HA 0.228 4.778 4.550 -0.000 0.000 0.339 176 Y C 0.086 175.979 175.900 -0.012 0.000 1.011 176 Y CA -0.698 57.424 58.100 0.037 0.000 1.093 176 Y CB 1.492 40.001 38.460 0.082 0.000 1.201 176 Y HN 0.445 nan 8.280 nan 0.000 0.455 177 D N 5.094 125.604 120.400 0.184 0.000 2.416 177 D HA 0.010 4.650 4.640 -0.000 0.000 0.240 177 D C 1.286 177.684 176.300 0.162 0.000 1.250 177 D CA 0.090 54.171 54.000 0.134 0.000 0.967 177 D CB 0.356 41.235 40.800 0.132 0.000 1.059 177 D HN 0.743 nan 8.370 nan 0.000 0.512 178 I N 0.396 120.984 120.570 0.031 0.000 2.707 178 I HA -0.252 3.918 4.170 -0.000 0.000 0.266 178 I C 1.193 177.355 176.117 0.074 0.000 1.215 178 I CA 1.071 62.307 61.300 -0.107 0.000 1.442 178 I CB -0.344 37.574 38.000 -0.137 0.000 1.108 178 I HN 0.077 nan 8.210 nan 0.000 0.464 179 K N 0.073 120.568 120.400 0.159 0.000 2.447 179 K HA 0.159 4.479 4.320 -0.000 0.000 0.205 179 K C -0.262 176.470 176.600 0.220 0.000 1.059 179 K CA -0.185 56.212 56.287 0.184 0.000 1.065 179 K CB 0.503 33.070 32.500 0.111 0.000 0.885 179 K HN 0.148 nan 8.250 nan 0.000 0.545 180 D N 0.913 121.489 120.400 0.294 0.000 2.303 180 D HA 0.278 4.918 4.640 -0.000 0.000 0.236 180 D C -1.365 175.186 176.300 0.418 0.000 1.068 180 D CA -0.500 53.685 54.000 0.309 0.000 0.830 180 D CB 1.311 42.285 40.800 0.290 0.000 1.109 180 D HN -0.268 nan 8.370 nan 0.000 0.496 181 V N 2.985 123.047 119.914 0.246 0.000 2.733 181 V HA 0.554 4.674 4.120 -0.000 0.000 0.306 181 V C 0.834 176.726 176.094 -0.337 0.000 1.084 181 V CA -0.798 61.510 62.300 0.012 0.000 0.905 181 V CB 2.189 33.986 31.823 -0.043 0.000 1.010 181 V HN 0.689 nan 8.190 nan 0.000 0.424 182 G N 2.697 110.921 108.800 -0.959 0.000 3.814 182 G HA2 0.313 4.273 3.960 -0.000 0.000 0.293 182 G HA3 0.313 4.273 3.960 -0.000 0.000 0.293 182 G C 0.588 175.251 174.900 -0.395 0.000 1.243 182 G CA 0.167 44.542 45.100 -1.208 0.000 1.053 182 G HN 0.561 nan 8.290 nan 0.000 0.562 183 V N 0.218 120.013 119.914 -0.200 0.000 3.307 183 V HA 0.070 4.190 4.120 -0.000 0.000 0.253 183 V C 1.270 177.330 176.094 -0.056 0.000 1.149 183 V CA 1.452 63.726 62.300 -0.044 0.000 1.112 183 V CB 0.416 32.174 31.823 -0.108 0.000 0.777 183 V HN 0.613 nan 8.190 nan 0.000 0.464 184 D N 0.464 120.818 120.400 -0.077 0.000 2.908 184 D HA 0.030 4.670 4.640 -0.000 0.000 0.361 184 D C 0.059 176.333 176.300 -0.043 0.000 1.416 184 D CA -0.335 53.635 54.000 -0.049 0.000 0.796 184 D CB -0.178 40.601 40.800 -0.036 0.000 1.185 184 D HN 0.444 nan 8.370 nan 0.000 0.451 185 N N 0.296 118.958 118.700 -0.063 0.000 2.294 185 N HA 0.106 4.846 4.740 -0.000 0.000 0.248 185 N C 1.430 176.930 175.510 -0.015 0.000 1.300 185 N CA 0.339 53.370 53.050 -0.031 0.000 0.925 185 N CB 0.494 38.963 38.487 -0.031 0.000 1.188 185 N HN -0.017 nan 8.380 nan 0.000 0.512 186 A N 0.168 122.991 122.820 0.006 0.000 1.869 186 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 186 A C 2.117 179.705 177.584 0.006 0.000 1.203 186 A CA 2.792 54.835 52.037 0.010 0.000 0.638 186 A CB -1.817 17.194 19.000 0.018 0.000 0.831 186 A HN 0.862 nan 8.150 nan 0.000 0.450 187 G N -0.857 107.944 108.800 0.002 0.000 2.587 187 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.217 187 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.217 187 G C 1.869 176.741 174.900 -0.047 0.000 1.240 187 G CA 2.246 47.341 45.100 -0.009 0.000 0.794 187 G HN 1.098 nan 8.290 nan 0.000 0.580 188 A N 0.743 123.507 122.820 -0.093 0.000 1.915 188 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 188 A C 2.306 179.840 177.584 -0.083 0.000 1.198 188 A CA 2.557 54.517 52.037 -0.128 0.000 0.647 188 A CB -0.589 18.361 19.000 -0.083 0.000 0.825 188 A HN 0.452 nan 8.150 nan 0.000 0.456 189 K N -0.726 119.651 120.400 -0.040 0.000 2.020 189 K HA -0.141 4.179 4.320 -0.000 0.000 0.212 189 K C 2.394 178.993 176.600 -0.001 0.000 1.050 189 K CA 1.420 57.697 56.287 -0.016 0.000 0.929 189 K CB -0.424 32.075 32.500 -0.001 0.000 0.714 189 K HN 0.485 nan 8.250 nan 0.000 0.443 190 A N 1.038 123.874 122.820 0.028 0.000 1.883 190 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 190 A C 2.416 180.040 177.584 0.068 0.000 1.186 190 A CA 2.148 54.249 52.037 0.107 0.000 0.624 190 A CB -1.358 17.744 19.000 0.170 0.000 0.822 190 A HN 0.475 nan 8.150 nan 0.000 0.444 191 G N -0.301 108.430 108.800 -0.115 0.000 2.433 191 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.216 191 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.216 191 G C 1.492 176.204 174.900 -0.312 0.000 1.186 191 G CA 1.169 45.980 45.100 -0.482 0.000 0.779 191 G HN 0.497 nan 8.290 nan 0.000 0.543 192 L N 1.048 122.164 121.223 -0.178 0.000 2.043 192 L HA -0.074 4.265 4.340 -0.000 0.000 0.212 192 L C 2.911 179.748 176.870 -0.055 0.000 1.075 192 L CA 2.690 57.470 54.840 -0.099 0.000 0.752 192 L CB -1.117 40.911 42.059 -0.051 0.000 0.891 192 L HN 0.219 nan 8.230 nan 0.000 0.432 193 T N -0.585 113.962 114.554 -0.012 0.000 2.635 193 T HA -0.277 4.072 4.350 -0.000 0.000 0.267 193 T C 1.646 176.380 174.700 0.057 0.000 1.040 193 T CA 2.091 64.212 62.100 0.035 0.000 1.156 193 T CB -0.609 68.307 68.868 0.080 0.000 0.863 193 T HN 0.401 nan 8.240 nan 0.000 0.430 194 F N 1.308 121.205 119.950 -0.088 0.000 2.161 194 F HA -0.055 4.472 4.527 -0.000 0.000 0.300 194 F C 1.931 177.673 175.800 -0.096 0.000 1.089 194 F CA 0.658 58.610 58.000 -0.080 0.000 1.282 194 F CB -0.450 38.438 39.000 -0.185 0.000 1.010 194 F HN 0.063 nan 8.300 nan 0.000 0.485 195 L N -0.387 120.751 121.223 -0.141 0.000 2.093 195 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 195 L C 2.191 178.984 176.870 -0.128 0.000 1.085 195 L CA 1.530 56.278 54.840 -0.153 0.000 0.755 195 L CB -1.062 40.940 42.059 -0.096 0.000 0.904 195 L HN 0.022 nan 8.230 nan 0.000 0.435 196 V N -0.003 119.856 119.914 -0.092 0.000 2.295 196 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 196 V C 2.326 178.367 176.094 -0.088 0.000 1.049 196 V CA 1.918 64.177 62.300 -0.068 0.000 1.024 196 V CB -0.828 30.972 31.823 -0.038 0.000 0.648 196 V HN 0.412 nan 8.190 nan 0.000 0.447 197 D N 0.201 120.532 120.400 -0.114 0.000 2.104 197 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 197 D C 2.138 178.356 176.300 -0.137 0.000 0.994 197 D CA 1.253 55.185 54.000 -0.114 0.000 0.830 197 D CB -0.391 40.347 40.800 -0.104 0.000 0.959 197 D HN 0.332 nan 8.370 nan 0.000 0.452 198 L N 0.302 121.385 121.223 -0.234 0.000 2.081 198 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 198 L C 2.409 179.260 176.870 -0.031 0.000 1.080 198 L CA 0.858 55.642 54.840 -0.093 0.000 0.754 198 L CB -0.292 41.696 42.059 -0.118 0.000 0.893 198 L HN 0.071 nan 8.230 nan 0.000 0.433 199 I N -1.043 119.487 120.570 -0.067 0.000 2.277 199 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 199 I C 2.542 178.615 176.117 -0.074 0.000 1.094 199 I CA 0.978 62.241 61.300 -0.061 0.000 1.393 199 I CB -0.339 37.625 38.000 -0.059 0.000 1.078 199 I HN 0.110 nan 8.210 nan 0.000 0.417 200 K N 1.176 121.534 120.400 -0.071 0.000 2.059 200 K HA -0.211 4.109 4.320 -0.000 0.000 0.212 200 K C 1.194 177.735 176.600 -0.099 0.000 1.050 200 K CA 2.065 58.311 56.287 -0.068 0.000 0.927 200 K CB -0.455 32.016 32.500 -0.050 0.000 0.714 200 K HN 0.397 nan 8.250 nan 0.000 0.447 201 N N 0.698 119.317 118.700 -0.134 0.000 2.421 201 N HA 0.011 4.751 4.740 -0.000 0.000 0.201 201 N C -0.570 174.663 175.510 -0.461 0.000 1.198 201 N CA 0.113 53.014 53.050 -0.249 0.000 0.838 201 N CB 0.274 38.641 38.487 -0.199 0.000 1.011 201 N HN 0.110 nan 8.380 nan 0.000 0.463 202 K N -1.078 119.160 120.400 -0.269 0.000 3.426 202 K HA -0.266 4.054 4.320 -0.000 0.000 0.315 202 K C 0.004 176.494 176.600 -0.183 0.000 1.293 202 K CA 0.737 56.900 56.287 -0.206 0.000 0.955 202 K CB -1.338 31.059 32.500 -0.171 0.000 1.238 202 K HN 0.516 nan 8.250 nan 0.000 0.441 203 H N -0.588 118.474 119.070 -0.014 0.000 2.462 203 H HA 0.128 4.684 4.556 -0.000 0.000 0.292 203 H C 1.033 176.366 175.328 0.008 0.000 1.049 203 H CA 1.049 57.100 56.048 0.004 0.000 1.334 203 H CB 0.155 29.922 29.762 0.009 0.000 1.404 203 H HN 0.281 nan 8.280 nan 0.000 0.544 204 M N 0.091 119.740 119.600 0.081 0.000 2.572 204 M HA 0.227 4.707 4.480 -0.000 0.000 0.299 204 M C -0.581 175.704 176.300 -0.025 0.000 1.205 204 M CA -0.782 54.532 55.300 0.024 0.000 0.876 204 M CB 2.609 35.211 32.600 0.004 0.000 1.728 204 M HN -0.162 nan 8.290 nan 0.000 0.458 205 N N -0.011 118.665 118.700 -0.041 0.000 2.479 205 N HA 0.469 5.209 4.740 -0.000 0.000 0.285 205 N C 0.511 175.980 175.510 -0.069 0.000 1.075 205 N CA 0.097 53.118 53.050 -0.049 0.000 0.967 205 N CB 1.684 40.147 38.487 -0.041 0.000 1.137 205 N HN 0.768 nan 8.380 nan 0.000 0.472 206 A N 1.929 124.715 122.820 -0.058 0.000 2.015 206 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 206 A C 0.562 178.111 177.584 -0.059 0.000 1.163 206 A CA 1.374 53.376 52.037 -0.059 0.000 0.646 206 A CB -0.233 18.742 19.000 -0.043 0.000 0.806 206 A HN 0.816 nan 8.150 nan 0.000 0.448 207 D N -0.508 119.860 120.400 -0.053 0.000 2.894 207 D HA 0.130 4.770 4.640 -0.000 0.000 0.273 207 D C -0.609 175.658 176.300 -0.056 0.000 1.328 207 D CA -0.180 53.792 54.000 -0.046 0.000 0.845 207 D CB -0.930 39.851 40.800 -0.032 0.000 1.072 207 D HN 0.007 nan 8.370 nan 0.000 0.484 208 T N 1.495 115.998 114.554 -0.086 0.000 2.723 208 T HA 0.352 4.702 4.350 -0.000 0.000 0.297 208 T C -0.123 174.511 174.700 -0.110 0.000 0.925 208 T CA -0.586 61.454 62.100 -0.100 0.000 1.030 208 T CB 0.940 69.724 68.868 -0.140 0.000 0.905 208 T HN 0.340 nan 8.240 nan 0.000 0.502 209 D N 1.309 121.668 120.400 -0.070 0.000 2.442 209 D HA 0.169 4.809 4.640 -0.000 0.000 0.254 209 D C 1.120 177.395 176.300 -0.043 0.000 1.069 209 D CA -1.141 52.831 54.000 -0.048 0.000 1.017 209 D CB 0.434 41.234 40.800 -0.001 0.000 1.172 209 D HN 0.321 nan 8.370 nan 0.000 0.561 210 Y N 0.685 120.899 120.300 -0.142 0.000 2.002 210 Y HA -0.332 4.218 4.550 -0.000 0.000 0.268 210 Y C 2.674 178.553 175.900 -0.035 0.000 1.177 210 Y CA 2.952 60.977 58.100 -0.124 0.000 1.111 210 Y CB -0.655 37.757 38.460 -0.080 0.000 0.952 210 Y HN 0.411 nan 8.280 nan 0.000 0.491 211 S N -0.086 115.721 115.700 0.178 0.000 2.374 211 S HA -0.236 4.234 4.470 -0.000 0.000 0.227 211 S C 1.984 176.589 174.600 0.009 0.000 1.037 211 S CA 1.813 60.083 58.200 0.117 0.000 1.024 211 S CB -0.679 62.590 63.200 0.115 0.000 0.861 211 S HN 0.497 nan 8.310 nan 0.000 0.456 212 I N 1.222 121.787 120.570 -0.009 0.000 2.113 212 I HA -0.207 3.962 4.170 -0.000 0.000 0.238 212 I C 2.771 178.865 176.117 -0.038 0.000 1.070 212 I CA 1.218 62.506 61.300 -0.020 0.000 1.332 212 I CB -0.693 37.292 38.000 -0.025 0.000 1.044 212 I HN 0.348 nan 8.210 nan 0.000 0.402 213 A N 0.298 123.071 122.820 -0.078 0.000 1.873 213 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 213 A C 2.295 179.843 177.584 -0.061 0.000 1.193 213 A CA 2.308 54.304 52.037 -0.068 0.000 0.629 213 A CB -0.915 18.019 19.000 -0.110 0.000 0.826 213 A HN 0.535 nan 8.150 nan 0.000 0.447 214 E N -0.392 119.698 120.200 -0.183 0.000 2.049 214 E HA -0.211 4.138 4.350 -0.000 0.000 0.198 214 E C 2.200 178.807 176.600 0.011 0.000 1.007 214 E CA 1.392 57.712 56.400 -0.134 0.000 0.809 214 E CB -0.304 29.266 29.700 -0.217 0.000 0.749 214 E HN 0.551 nan 8.360 nan 0.000 0.450 215 A N 1.033 123.856 122.820 0.004 0.000 1.933 215 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 215 A C 2.376 179.979 177.584 0.031 0.000 1.175 215 A CA 1.919 53.970 52.037 0.024 0.000 0.628 215 A CB -0.797 18.214 19.000 0.018 0.000 0.814 215 A HN 0.442 nan 8.150 nan 0.000 0.444 216 A N -0.956 121.887 122.820 0.037 0.000 1.865 216 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 216 A C 2.100 179.725 177.584 0.070 0.000 1.191 216 A CA 1.774 53.839 52.037 0.047 0.000 0.623 216 A CB -0.817 18.216 19.000 0.056 0.000 0.826 216 A HN 0.693 nan 8.150 nan 0.000 0.444 217 F N 1.138 121.073 119.950 -0.026 0.000 2.084 217 F HA -0.138 4.389 4.527 -0.000 0.000 0.296 217 F C 2.032 177.814 175.800 -0.029 0.000 1.111 217 F CA 2.041 60.028 58.000 -0.022 0.000 1.224 217 F CB -0.465 38.516 39.000 -0.033 0.000 0.991 217 F HN 0.291 nan 8.300 nan 0.000 0.471 218 N N -0.056 118.709 118.700 0.110 0.000 2.519 218 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 218 N C 0.636 176.102 175.510 -0.073 0.000 1.062 218 N CA 0.656 53.715 53.050 0.015 0.000 0.910 218 N CB -0.127 38.404 38.487 0.072 0.000 0.958 218 N HN 0.367 nan 8.380 nan 0.000 0.445 219 K N -0.042 120.312 120.400 -0.078 0.000 2.514 219 K HA 0.145 4.465 4.320 -0.000 0.000 0.207 219 K C 0.575 177.109 176.600 -0.110 0.000 1.035 219 K CA -0.116 56.126 56.287 -0.075 0.000 1.113 219 K CB 1.025 33.504 32.500 -0.034 0.000 0.846 219 K HN 0.080 nan 8.250 nan 0.000 0.491 220 G N 2.008 110.686 108.800 -0.205 0.000 2.203 220 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.263 220 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.263 220 G C 0.519 175.345 174.900 -0.124 0.000 1.012 220 G CA 0.608 45.578 45.100 -0.216 0.000 0.749 220 G HN 0.504 nan 8.290 nan 0.000 0.512 221 E N -1.050 119.101 120.200 -0.082 0.000 2.285 221 E HA 0.093 4.442 4.350 -0.000 0.000 0.194 221 E C 1.143 177.743 176.600 -0.000 0.000 0.997 221 E CA 1.060 57.444 56.400 -0.028 0.000 0.845 221 E CB 0.306 30.003 29.700 -0.006 0.000 0.782 221 E HN 0.372 nan 8.360 nan 0.000 0.491 222 T N -1.623 112.935 114.554 0.007 0.000 2.900 222 T HA 0.472 4.821 4.350 -0.000 0.000 0.295 222 T C 0.231 174.999 174.700 0.114 0.000 1.044 222 T CA -0.202 61.949 62.100 0.085 0.000 0.995 222 T CB 1.720 70.681 68.868 0.154 0.000 1.072 222 T HN -0.038 nan 8.240 nan 0.000 0.473 223 A N 4.109 127.016 122.820 0.144 0.000 2.016 223 A HA 0.439 4.759 4.320 -0.000 0.000 0.217 223 A C 0.758 178.565 177.584 0.372 0.000 1.162 223 A CA 0.780 52.923 52.037 0.177 0.000 0.662 223 A CB -0.209 18.862 19.000 0.118 0.000 0.812 223 A HN 0.738 nan 8.150 nan 0.000 0.450 224 M N -1.887 117.935 119.600 0.371 0.000 2.465 224 M HA 0.402 4.882 4.480 -0.000 0.000 0.284 224 M C -0.801 175.592 176.300 0.154 0.000 1.212 224 M CA -0.147 55.321 55.300 0.279 0.000 0.910 224 M CB 2.564 35.231 32.600 0.111 0.000 1.725 224 M HN 0.048 nan 8.290 nan 0.000 0.477 225 T N 1.770 116.249 114.554 -0.125 0.000 2.865 225 T HA 0.813 5.162 4.350 -0.000 0.000 0.294 225 T C -1.766 172.845 174.700 -0.148 0.000 1.119 225 T CA -0.557 61.465 62.100 -0.131 0.000 1.007 225 T CB 1.431 70.064 68.868 -0.392 0.000 1.225 225 T HN 0.575 nan 8.240 nan 0.000 0.515 226 I N 3.632 124.175 120.570 -0.044 0.000 2.418 226 I HA 0.540 4.710 4.170 -0.000 0.000 0.287 226 I C -0.392 175.821 176.117 0.159 0.000 1.008 226 I CA -0.738 60.538 61.300 -0.040 0.000 1.104 226 I CB 1.629 39.503 38.000 -0.209 0.000 1.264 226 I HN 0.505 nan 8.210 nan 0.000 0.438 227 N N 2.968 121.719 118.700 0.085 0.000 3.127 227 N HA 0.429 5.169 4.740 -0.000 0.000 0.239 227 N C -0.819 174.509 175.510 -0.302 0.000 1.407 227 N CA -0.335 52.778 53.050 0.105 0.000 0.891 227 N CB 2.370 40.891 38.487 0.055 0.000 1.447 227 N HN 0.650 nan 8.380 nan 0.000 0.507 228 G N 0.318 108.518 108.800 -0.999 0.000 2.522 228 G HA2 0.410 4.370 3.960 -0.000 0.000 0.304 228 G HA3 0.410 4.370 3.960 -0.000 0.000 0.304 228 G C -1.776 172.019 174.900 -1.842 0.000 1.210 228 G CA -1.036 42.957 45.100 -1.846 0.000 0.960 228 G HN 0.358 nan 8.290 nan 0.000 0.497 229 P HA -0.133 nan 4.420 nan 0.000 0.217 229 P C 1.442 178.097 177.300 -1.076 0.000 1.148 229 P CA 1.691 63.572 63.100 -2.032 0.000 0.828 229 P CB -0.038 30.863 31.700 -1.332 0.000 0.783 230 W N 0.120 121.173 121.300 -0.411 0.000 2.341 230 W HA -0.056 4.604 4.660 -0.000 0.000 0.283 230 W C 1.664 178.142 176.519 -0.069 0.000 1.215 230 W CA 1.124 58.358 57.345 -0.185 0.000 1.211 230 W CB -1.929 27.456 29.460 -0.125 0.000 1.131 230 W HN -0.104 nan 8.180 nan 0.000 0.552 231 A N -0.958 121.643 122.820 -0.365 0.000 2.275 231 A HA 0.171 4.491 4.320 -0.000 0.000 0.212 231 A C 1.448 179.068 177.584 0.059 0.000 1.201 231 A CA 0.284 52.312 52.037 -0.015 0.000 0.843 231 A CB -0.945 18.013 19.000 -0.069 0.000 0.873 231 A HN 0.358 nan 8.150 nan 0.000 0.492 232 W N 0.796 122.019 121.300 -0.128 0.000 2.441 232 W HA -0.072 4.588 4.660 -0.000 0.000 0.302 232 W C 2.676 179.170 176.519 -0.041 0.000 1.191 232 W CA 1.110 58.378 57.345 -0.128 0.000 1.327 232 W CB -1.317 28.117 29.460 -0.044 0.000 1.128 232 W HN 0.499 nan 8.180 nan 0.000 0.522 233 S N -0.111 115.746 115.700 0.261 0.000 2.469 233 S HA -0.178 4.292 4.470 -0.000 0.000 0.238 233 S C 1.400 176.079 174.600 0.132 0.000 0.998 233 S CA 1.448 59.757 58.200 0.182 0.000 0.957 233 S CB -0.966 62.323 63.200 0.148 0.000 0.764 233 S HN 0.395 nan 8.310 nan 0.000 0.514 234 N N 0.733 119.508 118.700 0.125 0.000 2.354 234 N HA 0.203 4.943 4.740 -0.000 0.000 0.179 234 N C 1.512 177.065 175.510 0.071 0.000 1.021 234 N CA 1.148 54.258 53.050 0.099 0.000 0.887 234 N CB -0.147 38.410 38.487 0.116 0.000 0.974 234 N HN 0.459 nan 8.380 nan 0.000 0.437 235 I N 0.566 121.157 120.570 0.036 0.000 2.584 235 I HA -0.127 4.043 4.170 -0.000 0.000 0.255 235 I C 1.283 177.442 176.117 0.069 0.000 1.145 235 I CA 0.666 61.952 61.300 -0.024 0.000 1.462 235 I CB -0.196 37.591 38.000 -0.355 0.000 1.102 235 I HN 0.009 nan 8.210 nan 0.000 0.433 236 D N 1.252 121.729 120.400 0.129 0.000 2.116 236 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 236 D C 2.191 178.550 176.300 0.098 0.000 0.998 236 D CA 1.960 56.055 54.000 0.159 0.000 0.836 236 D CB -0.436 40.450 40.800 0.143 0.000 0.951 236 D HN 0.270 nan 8.370 nan 0.000 0.449 237 T N -0.453 114.148 114.554 0.078 0.000 2.904 237 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 237 T C 1.993 176.720 174.700 0.044 0.000 1.059 237 T CA 1.328 63.462 62.100 0.056 0.000 1.137 237 T CB -0.265 68.635 68.868 0.054 0.000 0.879 237 T HN 0.206 nan 8.240 nan 0.000 0.467 238 S N 0.928 116.655 115.700 0.045 0.000 2.481 238 S HA -0.017 4.453 4.470 -0.000 0.000 0.231 238 S C 1.221 175.833 174.600 0.020 0.000 0.996 238 S CA 0.984 59.200 58.200 0.026 0.000 0.942 238 S CB -0.336 62.875 63.200 0.018 0.000 0.768 238 S HN 0.357 nan 8.310 nan 0.000 0.520 239 K N -0.597 119.829 120.400 0.043 0.000 3.472 239 K HA -0.112 4.208 4.320 -0.000 0.000 0.315 239 K C -0.272 176.345 176.600 0.028 0.000 1.320 239 K CA 0.800 57.110 56.287 0.037 0.000 0.962 239 K CB -2.416 30.092 32.500 0.013 0.000 1.251 239 K HN 0.405 nan 8.250 nan 0.000 0.443 240 V N 1.512 121.440 119.914 0.022 0.000 2.814 240 V HA -0.100 4.020 4.120 -0.000 0.000 0.307 240 V C 0.885 177.018 176.094 0.065 0.000 1.089 240 V CA 0.345 62.635 62.300 -0.017 0.000 1.212 240 V CB 0.650 32.395 31.823 -0.130 0.000 0.912 240 V HN 0.304 nan 8.190 nan 0.000 0.497 241 N N 4.277 122.975 118.700 -0.005 0.000 2.482 241 N HA 0.240 4.979 4.740 -0.000 0.000 0.242 241 N C -0.877 174.604 175.510 -0.048 0.000 1.100 241 N CA -0.372 52.652 53.050 -0.044 0.000 0.946 241 N CB -0.013 38.431 38.487 -0.071 0.000 1.227 241 N HN 0.604 nan 8.380 nan 0.000 0.508 242 Y N 0.484 120.690 120.300 -0.156 0.000 2.429 242 Y HA 0.839 5.389 4.550 -0.000 0.000 0.342 242 Y C 0.296 175.938 175.900 -0.429 0.000 1.004 242 Y CA -1.471 56.504 58.100 -0.208 0.000 1.075 242 Y CB 0.934 39.406 38.460 0.020 0.000 1.214 242 Y HN 0.266 nan 8.280 nan 0.000 0.455 243 G N 1.673 109.984 108.800 -0.815 0.000 2.441 243 G HA2 0.593 4.553 3.960 -0.000 0.000 0.334 243 G HA3 0.593 4.553 3.960 -0.000 0.000 0.334 243 G C -1.809 172.804 174.900 -0.478 0.000 1.161 243 G CA -1.096 43.388 45.100 -1.027 0.000 0.935 243 G HN 0.698 nan 8.290 nan 0.000 0.488 244 V N 0.436 120.281 119.914 -0.115 0.000 2.525 244 V HA 0.769 4.889 4.120 -0.000 0.000 0.299 244 V C 0.111 176.276 176.094 0.119 0.000 1.034 244 V CA -0.468 61.866 62.300 0.058 0.000 0.863 244 V CB 1.245 33.041 31.823 -0.046 0.000 0.999 244 V HN 1.017 nan 8.190 nan 0.000 0.423 245 T N 2.460 117.103 114.554 0.148 0.000 2.665 245 T HA 0.529 4.879 4.350 -0.000 0.000 0.303 245 T C -0.757 173.957 174.700 0.023 0.000 1.334 245 T CA -0.328 61.823 62.100 0.086 0.000 1.011 245 T CB 1.780 70.712 68.868 0.107 0.000 1.573 245 T HN 0.384 nan 8.240 nan 0.000 0.492 246 V N 2.734 122.639 119.914 -0.014 0.000 2.928 246 V HA 0.153 4.272 4.120 -0.000 0.000 0.307 246 V C 0.572 176.623 176.094 -0.071 0.000 1.105 246 V CA 0.185 62.462 62.300 -0.037 0.000 1.223 246 V CB -0.356 31.438 31.823 -0.048 0.000 0.930 246 V HN 0.620 nan 8.190 nan 0.000 0.499 247 L N 6.124 127.309 121.223 -0.064 0.000 2.417 247 L HA 0.338 4.678 4.340 -0.000 0.000 0.268 247 L C -1.998 174.793 176.870 -0.132 0.000 1.158 247 L CA -1.493 53.283 54.840 -0.107 0.000 0.819 247 L CB 0.207 42.255 42.059 -0.018 0.000 1.112 247 L HN 0.472 nan 8.230 nan 0.000 0.458 248 P HA 0.060 nan 4.420 nan 0.000 0.270 248 P C -0.543 176.756 177.300 -0.001 0.000 1.223 248 P CA -0.458 62.465 63.100 -0.294 0.000 0.785 248 P CB 0.313 31.606 31.700 -0.677 0.000 0.923 249 T N -1.296 113.303 114.554 0.075 0.000 2.922 249 T HA 0.563 4.913 4.350 -0.000 0.000 0.285 249 T C -0.780 174.130 174.700 0.351 0.000 1.005 249 T CA -0.442 61.766 62.100 0.181 0.000 1.061 249 T CB 0.240 69.139 68.868 0.052 0.000 1.007 249 T HN 0.190 nan 8.240 nan 0.000 0.502 250 F N 1.591 121.607 119.950 0.111 0.000 2.520 250 F HA 0.528 5.054 4.527 -0.000 0.000 0.322 250 F C 0.678 176.425 175.800 -0.088 0.000 1.103 250 F CA -1.254 56.728 58.000 -0.030 0.000 0.926 250 F CB 1.530 40.417 39.000 -0.187 0.000 1.154 250 F HN 0.880 nan 8.300 nan 0.000 0.453 251 K N 4.218 124.149 120.400 -0.782 0.000 3.003 251 K HA -0.209 4.111 4.320 -0.000 0.000 0.257 251 K C 0.949 177.412 176.600 -0.229 0.000 0.958 251 K CA 1.039 57.015 56.287 -0.518 0.000 0.707 251 K CB -1.446 30.731 32.500 -0.539 0.000 1.279 251 K HN 1.303 nan 8.250 nan 0.000 0.479 252 G N -1.085 107.622 108.800 -0.155 0.000 2.189 252 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.267 252 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.267 252 G C -0.153 174.720 174.900 -0.046 0.000 0.975 252 G CA 0.594 45.644 45.100 -0.084 0.000 0.644 252 G HN 0.312 nan 8.290 nan 0.000 0.537 253 Q N 0.932 120.714 119.800 -0.031 0.000 2.256 253 Q HA 0.418 4.758 4.340 -0.000 0.000 0.257 253 Q C -2.238 173.782 176.000 0.034 0.000 0.936 253 Q CA -2.016 53.785 55.803 -0.003 0.000 0.903 253 Q CB 2.023 30.758 28.738 -0.004 0.000 1.263 253 Q HN 0.300 nan 8.270 nan 0.000 0.440 254 P HA -0.051 nan 4.420 nan 0.000 0.266 254 P C -0.322 177.001 177.300 0.038 0.000 1.193 254 P CA 0.199 63.314 63.100 0.025 0.000 0.770 254 P CB 0.586 32.279 31.700 -0.012 0.000 0.836 255 S N 1.881 117.634 115.700 0.088 0.000 2.568 255 S HA 0.029 4.498 4.470 -0.000 0.000 0.282 255 S C 0.716 175.292 174.600 -0.040 0.000 1.338 255 S CA 0.128 58.364 58.200 0.061 0.000 1.045 255 S CB -0.052 63.267 63.200 0.198 0.000 0.873 255 S HN 0.361 nan 8.310 nan 0.000 0.516 256 K N 2.985 123.302 120.400 -0.139 0.000 2.961 256 K HA 0.268 4.588 4.320 -0.000 0.000 0.187 256 K C -2.578 173.902 176.600 -0.199 0.000 1.110 256 K CA -1.961 54.223 56.287 -0.172 0.000 0.968 256 K CB 0.550 32.904 32.500 -0.244 0.000 1.287 256 K HN 0.358 nan 8.250 nan 0.000 0.578 257 P HA 0.076 nan 4.420 nan 0.000 0.277 257 P C -0.539 176.747 177.300 -0.023 0.000 1.240 257 P CA -0.343 62.703 63.100 -0.091 0.000 0.798 257 P CB 0.596 32.270 31.700 -0.043 0.000 0.979 258 F N 0.548 120.577 119.950 0.131 0.000 2.495 258 F HA 0.089 4.616 4.527 -0.000 0.000 0.365 258 F C 0.830 176.767 175.800 0.228 0.000 1.090 258 F CA 0.199 58.326 58.000 0.211 0.000 1.235 258 F CB 0.180 39.354 39.000 0.290 0.000 1.119 258 F HN -0.031 nan 8.300 nan 0.000 0.562 259 V N 3.332 123.517 119.914 0.451 0.000 2.407 259 V HA 0.571 4.690 4.120 -0.000 0.000 0.278 259 V C 0.465 176.777 176.094 0.363 0.000 1.037 259 V CA -0.726 61.776 62.300 0.338 0.000 0.900 259 V CB 1.189 33.180 31.823 0.281 0.000 0.983 259 V HN 0.875 nan 8.190 nan 0.000 0.459 260 G N 3.866 112.841 108.800 0.292 0.000 2.370 260 G HA2 0.551 4.510 3.960 -0.000 0.000 0.317 260 G HA3 0.551 4.510 3.960 -0.000 0.000 0.317 260 G C -0.856 174.156 174.900 0.187 0.000 1.162 260 G CA -0.359 44.903 45.100 0.269 0.000 0.922 260 G HN 0.535 nan 8.290 nan 0.000 0.454 261 V N 4.160 124.223 119.914 0.248 0.000 2.350 261 V HA 0.177 4.297 4.120 -0.000 0.000 0.276 261 V C 0.257 176.361 176.094 0.016 0.000 1.028 261 V CA -0.826 61.484 62.300 0.016 0.000 0.860 261 V CB 1.218 32.912 31.823 -0.216 0.000 0.990 261 V HN 0.679 nan 8.190 nan 0.000 0.453 262 L N 6.259 127.466 121.223 -0.026 0.000 2.530 262 L HA 0.271 4.611 4.340 -0.000 0.000 0.273 262 L C 0.427 177.306 176.870 0.015 0.000 1.141 262 L CA 1.157 55.979 54.840 -0.030 0.000 0.905 262 L CB 0.193 42.237 42.059 -0.024 0.000 1.202 262 L HN 0.719 nan 8.230 nan 0.000 0.473 263 S N 3.745 119.418 115.700 -0.044 0.000 2.568 263 S HA 0.860 5.330 4.470 -0.000 0.000 0.302 263 S C -0.372 174.275 174.600 0.078 0.000 1.082 263 S CA -0.457 57.705 58.200 -0.064 0.000 1.009 263 S CB 1.780 64.787 63.200 -0.323 0.000 1.069 263 S HN 0.850 nan 8.310 nan 0.000 0.500 264 A N 1.751 124.643 122.820 0.119 0.000 2.256 264 A HA 0.736 5.056 4.320 -0.000 0.000 0.317 264 A C 0.378 178.075 177.584 0.189 0.000 1.318 264 A CA -0.580 51.381 52.037 -0.126 0.000 0.894 264 A CB 0.086 18.849 19.000 -0.394 0.000 1.165 264 A HN 0.873 nan 8.150 nan 0.000 0.525 265 G N 0.951 109.936 108.800 0.307 0.000 2.461 265 G HA2 0.631 4.590 3.960 -0.000 0.000 0.329 265 G HA3 0.631 4.590 3.960 -0.000 0.000 0.329 265 G C -0.625 174.265 174.900 -0.017 0.000 1.170 265 G CA -0.640 44.586 45.100 0.210 0.000 0.935 265 G HN 0.663 nan 8.290 nan 0.000 0.492 266 I N 1.007 121.573 120.570 -0.007 0.000 2.466 266 I HA 0.164 4.333 4.170 -0.000 0.000 0.289 266 I C -0.430 175.675 176.117 -0.019 0.000 1.026 266 I CA -1.024 60.266 61.300 -0.017 0.000 1.078 266 I CB 2.031 40.056 38.000 0.042 0.000 1.249 266 I HN 0.325 nan 8.210 nan 0.000 0.429 267 N N 3.776 122.463 118.700 -0.021 0.000 2.357 267 N HA 0.013 4.753 4.740 -0.000 0.000 0.257 267 N C 0.877 176.376 175.510 -0.019 0.000 1.250 267 N CA 0.540 53.595 53.050 0.009 0.000 0.862 267 N CB 1.459 39.927 38.487 -0.031 0.000 1.066 267 N HN 0.811 nan 8.380 nan 0.000 0.468 268 A N 4.230 127.034 122.820 -0.027 0.000 1.859 268 A HA -0.114 4.205 4.320 -0.000 0.000 0.217 268 A C 1.235 178.795 177.584 -0.040 0.000 1.198 268 A CA 2.016 54.035 52.037 -0.031 0.000 0.629 268 A CB -0.794 18.181 19.000 -0.042 0.000 0.830 268 A HN 0.751 nan 8.150 nan 0.000 0.446 269 A N -0.264 122.519 122.820 -0.062 0.000 3.258 269 A HA 0.539 4.858 4.320 -0.000 0.000 0.275 269 A C 0.483 178.029 177.584 -0.063 0.000 1.452 269 A CA 0.382 52.383 52.037 -0.060 0.000 1.120 269 A CB -0.661 18.297 19.000 -0.071 0.000 1.107 269 A HN 0.391 nan 8.150 nan 0.000 0.651 270 S N 1.083 116.752 115.700 -0.051 0.000 2.525 270 S HA 0.480 4.950 4.470 -0.000 0.000 0.278 270 S C -0.803 173.776 174.600 -0.035 0.000 1.234 270 S CA -1.394 56.775 58.200 -0.051 0.000 1.058 270 S CB 0.879 64.049 63.200 -0.050 0.000 0.983 270 S HN 0.396 nan 8.310 nan 0.000 0.495 271 P HA -0.077 nan 4.420 nan 0.000 0.215 271 P C -0.242 177.051 177.300 -0.011 0.000 1.157 271 P CA 0.986 64.072 63.100 -0.022 0.000 0.868 271 P CB -0.127 31.558 31.700 -0.024 0.000 0.788 272 N N 0.932 119.625 118.700 -0.011 0.000 3.124 272 N HA 0.066 4.806 4.740 -0.000 0.000 0.284 272 N C 0.924 176.440 175.510 0.011 0.000 1.209 272 N CA 0.095 53.147 53.050 0.004 0.000 1.149 272 N CB 0.569 39.058 38.487 0.004 0.000 1.434 272 N HN 0.282 nan 8.380 nan 0.000 0.529 273 K N 1.286 121.695 120.400 0.015 0.000 1.980 273 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 273 K C 1.477 178.103 176.600 0.043 0.000 1.043 273 K CA 1.141 57.442 56.287 0.024 0.000 0.938 273 K CB 0.213 32.725 32.500 0.020 0.000 0.724 273 K HN 0.324 nan 8.250 nan 0.000 0.438 274 E N 0.809 121.036 120.200 0.045 0.000 2.106 274 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 274 E C 2.041 178.690 176.600 0.081 0.000 0.984 274 E CA 0.685 57.120 56.400 0.059 0.000 0.806 274 E CB 0.018 29.749 29.700 0.052 0.000 0.750 274 E HN 0.162 nan 8.360 nan 0.000 0.458 275 L N 0.417 121.691 121.223 0.085 0.000 2.083 275 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 275 L C 2.404 179.343 176.870 0.115 0.000 1.083 275 L CA 1.022 55.943 54.840 0.135 0.000 0.752 275 L CB -0.308 41.823 42.059 0.121 0.000 0.899 275 L HN 0.166 nan 8.230 nan 0.000 0.433 276 A N -0.005 122.849 122.820 0.057 0.000 1.841 276 A HA -0.238 4.082 4.320 -0.000 0.000 0.214 276 A C 2.351 179.966 177.584 0.052 0.000 1.195 276 A CA 1.769 53.823 52.037 0.028 0.000 0.611 276 A CB -0.573 18.438 19.000 0.018 0.000 0.835 276 A HN 0.312 nan 8.150 nan 0.000 0.443 277 K N 0.177 120.619 120.400 0.070 0.000 2.077 277 K HA -0.330 3.990 4.320 -0.000 0.000 0.213 277 K C 1.954 178.538 176.600 -0.026 0.000 1.051 277 K CA 2.419 58.732 56.287 0.042 0.000 0.929 277 K CB -0.298 32.258 32.500 0.094 0.000 0.715 277 K HN 0.553 nan 8.250 nan 0.000 0.451 278 E N -0.090 120.149 120.200 0.066 0.000 2.070 278 E HA -0.243 4.107 4.350 -0.000 0.000 0.197 278 E C 1.893 178.581 176.600 0.146 0.000 1.004 278 E CA 1.837 58.325 56.400 0.146 0.000 0.805 278 E CB -0.482 29.373 29.700 0.259 0.000 0.744 278 E HN 0.430 nan 8.360 nan 0.000 0.451 279 F N 0.757 120.590 119.950 -0.195 0.000 2.075 279 F HA -0.130 4.397 4.527 -0.000 0.000 0.297 279 F C 1.864 177.553 175.800 -0.185 0.000 1.113 279 F CA 1.752 59.458 58.000 -0.491 0.000 1.218 279 F CB -0.376 38.150 39.000 -0.791 0.000 0.984 279 F HN 0.054 nan 8.300 nan 0.000 0.472 280 L N -0.020 121.068 121.223 -0.225 0.000 2.005 280 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 280 L C 2.486 179.154 176.870 -0.336 0.000 1.072 280 L CA 1.809 56.434 54.840 -0.359 0.000 0.744 280 L CB -0.943 40.828 42.059 -0.480 0.000 0.895 280 L HN 0.153 nan 8.230 nan 0.000 0.433 281 E N 0.187 120.145 120.200 -0.404 0.000 2.077 281 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 281 E C 1.458 178.079 176.600 0.034 0.000 0.989 281 E CA 1.307 57.486 56.400 -0.367 0.000 0.800 281 E CB -0.046 29.310 29.700 -0.573 0.000 0.746 281 E HN 0.493 nan 8.360 nan 0.000 0.452 282 N N -1.435 117.287 118.700 0.038 0.000 2.250 282 N HA 0.043 4.783 4.740 -0.000 0.000 0.190 282 N C 0.488 175.933 175.510 -0.108 0.000 1.116 282 N CA 0.488 53.571 53.050 0.055 0.000 0.881 282 N CB 0.466 39.044 38.487 0.151 0.000 1.006 282 N HN 0.187 nan 8.380 nan 0.000 0.491 283 Y N -0.733 119.458 120.300 -0.181 0.000 2.723 283 Y HA 0.268 4.818 4.550 -0.000 0.000 0.272 283 Y C 1.647 177.325 175.900 -0.371 0.000 1.142 283 Y CA -0.297 57.655 58.100 -0.247 0.000 1.217 283 Y CB -0.003 38.294 38.460 -0.272 0.000 1.391 283 Y HN -0.127 nan 8.280 nan 0.000 0.479 284 L N 0.220 121.196 121.223 -0.411 0.000 2.034 284 L HA 0.116 4.456 4.340 -0.000 0.000 0.203 284 L C 0.698 177.483 176.870 -0.142 0.000 1.074 284 L CA 1.663 56.316 54.840 -0.312 0.000 0.748 284 L CB -0.499 41.363 42.059 -0.328 0.000 0.905 284 L HN 0.064 nan 8.230 nan 0.000 0.439 285 L N 1.750 122.930 121.223 -0.071 0.000 2.416 285 L HA 0.166 4.506 4.340 -0.000 0.000 0.243 285 L C -0.289 176.575 176.870 -0.009 0.000 1.373 285 L CA -0.014 54.839 54.840 0.021 0.000 1.227 285 L CB -1.563 40.612 42.059 0.192 0.000 1.428 285 L HN 0.460 nan 8.230 nan 0.000 0.425 286 T N -5.699 108.803 114.554 -0.086 0.000 2.816 286 T HA 0.270 4.619 4.350 -0.000 0.000 0.299 286 T C 0.404 174.990 174.700 -0.191 0.000 1.230 286 T CA -0.866 61.171 62.100 -0.106 0.000 1.007 286 T CB 1.746 70.544 68.868 -0.116 0.000 1.289 286 T HN -0.008 nan 8.240 nan 0.000 0.508 287 D N 0.554 120.852 120.400 -0.170 0.000 2.123 287 D HA -0.043 4.597 4.640 -0.000 0.000 0.196 287 D C 1.743 177.788 176.300 -0.424 0.000 0.992 287 D CA 1.593 55.417 54.000 -0.294 0.000 0.833 287 D CB -0.088 40.689 40.800 -0.038 0.000 0.954 287 D HN 0.733 nan 8.370 nan 0.000 0.455 288 E N 0.249 120.314 120.200 -0.226 0.000 2.028 288 E HA 0.007 4.357 4.350 -0.000 0.000 0.190 288 E C 2.288 178.781 176.600 -0.177 0.000 0.984 288 E CA 1.220 57.521 56.400 -0.166 0.000 0.800 288 E CB -0.779 28.866 29.700 -0.093 0.000 0.758 288 E HN 0.281 nan 8.360 nan 0.000 0.448 289 G N 1.154 109.856 108.800 -0.163 0.000 2.459 289 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.217 289 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.217 289 G C 1.577 176.379 174.900 -0.164 0.000 1.183 289 G CA 0.900 45.923 45.100 -0.128 0.000 0.776 289 G HN 0.118 nan 8.290 nan 0.000 0.552 290 L N 0.107 121.174 121.223 -0.261 0.000 2.046 290 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 290 L C 2.773 179.461 176.870 -0.305 0.000 1.077 290 L CA 1.593 56.266 54.840 -0.278 0.000 0.747 290 L CB -0.472 41.376 42.059 -0.352 0.000 0.896 290 L HN 0.399 nan 8.230 nan 0.000 0.432 291 E N 0.461 120.363 120.200 -0.498 0.000 2.049 291 E HA -0.298 4.052 4.350 -0.000 0.000 0.198 291 E C 2.203 178.766 176.600 -0.062 0.000 1.007 291 E CA 1.615 57.886 56.400 -0.216 0.000 0.809 291 E CB -0.077 29.523 29.700 -0.166 0.000 0.749 291 E HN 0.440 nan 8.360 nan 0.000 0.450 292 A N 0.298 123.074 122.820 -0.073 0.000 1.917 292 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 292 A C 2.433 180.001 177.584 -0.028 0.000 1.182 292 A CA 1.838 53.858 52.037 -0.030 0.000 0.633 292 A CB -0.770 18.222 19.000 -0.013 0.000 0.819 292 A HN 0.255 nan 8.150 nan 0.000 0.448 293 V N 0.305 120.193 119.914 -0.042 0.000 2.307 293 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 293 V C 2.344 178.423 176.094 -0.025 0.000 1.045 293 V CA 2.245 64.517 62.300 -0.047 0.000 1.024 293 V CB -1.100 30.681 31.823 -0.069 0.000 0.651 293 V HN 0.711 nan 8.190 nan 0.000 0.449 294 N N 0.148 118.857 118.700 0.014 0.000 2.223 294 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 294 N C 1.760 177.300 175.510 0.049 0.000 1.016 294 N CA 1.135 54.224 53.050 0.065 0.000 0.863 294 N CB -0.100 38.495 38.487 0.180 0.000 0.983 294 N HN 0.412 nan 8.380 nan 0.000 0.429 295 K N -0.522 119.898 120.400 0.033 0.000 2.217 295 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 295 K C 0.944 177.540 176.600 -0.008 0.000 1.051 295 K CA 1.016 57.316 56.287 0.021 0.000 0.952 295 K CB 0.024 32.535 32.500 0.018 0.000 0.736 295 K HN 0.277 nan 8.250 nan 0.000 0.453 296 D N 0.431 120.812 120.400 -0.033 0.000 2.162 296 D HA 0.022 4.662 4.640 -0.000 0.000 0.205 296 D C -0.065 176.193 176.300 -0.070 0.000 0.964 296 D CA 1.080 55.036 54.000 -0.074 0.000 0.847 296 D CB 0.549 41.274 40.800 -0.125 0.000 0.988 296 D HN -0.120 nan 8.370 nan 0.000 0.480 297 K N -0.049 120.322 120.400 -0.049 0.000 2.543 297 K HA 0.302 4.622 4.320 -0.000 0.000 0.255 297 K C -2.721 173.879 176.600 0.001 0.000 0.934 297 K CA -1.861 54.411 56.287 -0.024 0.000 0.810 297 K CB 2.734 35.212 32.500 -0.037 0.000 1.315 297 K HN -0.109 nan 8.250 nan 0.000 0.433 298 P HA 0.005 nan 4.420 nan 0.000 0.263 298 P C 0.282 177.595 177.300 0.021 0.000 1.195 298 P CA 0.219 63.349 63.100 0.049 0.000 0.762 298 P CB 0.549 32.300 31.700 0.085 0.000 0.799 299 L N 1.809 123.051 121.223 0.032 0.000 2.509 299 L HA 0.143 4.483 4.340 -0.000 0.000 0.222 299 L C 1.615 178.485 176.870 0.001 0.000 1.123 299 L CA 0.850 55.695 54.840 0.009 0.000 0.856 299 L CB -0.780 41.297 42.059 0.029 0.000 0.985 299 L HN 0.692 nan 8.230 nan 0.000 0.456 300 G N 0.312 109.123 108.800 0.019 0.000 2.512 300 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.240 300 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.240 300 G C 0.031 174.954 174.900 0.039 0.000 1.246 300 G CA -0.367 44.739 45.100 0.009 0.000 0.919 300 G HN 0.458 nan 8.290 nan 0.000 0.577 301 A N -0.578 122.257 122.820 0.026 0.000 2.483 301 A HA 0.640 4.960 4.320 -0.000 0.000 0.238 301 A C 0.814 178.411 177.584 0.022 0.000 1.070 301 A CA 0.947 52.994 52.037 0.017 0.000 0.770 301 A CB 0.237 19.235 19.000 -0.003 0.000 1.008 301 A HN 2.371 nan 8.150 nan 0.000 0.497 302 V N -0.743 119.198 119.914 0.045 0.000 2.604 302 V HA 0.718 4.837 4.120 -0.000 0.000 0.305 302 V C 0.817 176.965 176.094 0.090 0.000 1.043 302 V CA -0.134 62.213 62.300 0.078 0.000 0.888 302 V CB 0.901 32.827 31.823 0.172 0.000 0.995 302 V HN 1.495 nan 8.190 nan 0.000 0.429 303 A N 3.920 126.763 122.820 0.039 0.000 2.076 303 A HA 0.032 4.351 4.320 -0.000 0.000 0.220 303 A C 1.092 178.783 177.584 0.178 0.000 1.160 303 A CA 1.194 53.260 52.037 0.048 0.000 0.653 303 A CB -0.524 18.386 19.000 -0.149 0.000 0.801 303 A HN 1.152 nan 8.150 nan 0.000 0.455 304 L N 0.395 121.694 121.223 0.126 0.000 2.361 304 L HA 0.176 4.516 4.340 -0.000 0.000 0.278 304 L C 1.060 177.998 176.870 0.114 0.000 1.113 304 L CA 0.217 55.097 54.840 0.068 0.000 0.849 304 L CB 0.392 42.486 42.059 0.058 0.000 1.155 304 L HN 0.256 nan 8.230 nan 0.000 0.452 305 K N 1.820 122.158 120.400 -0.102 0.000 1.991 305 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 305 K C 1.992 178.598 176.600 0.009 0.000 1.049 305 K CA 1.956 58.129 56.287 -0.190 0.000 0.932 305 K CB -0.244 32.012 32.500 -0.407 0.000 0.717 305 K HN 0.924 nan 8.250 nan 0.000 0.441 306 S N 0.674 116.371 115.700 -0.005 0.000 2.381 306 S HA -0.278 4.192 4.470 -0.000 0.000 0.230 306 S C 2.043 176.722 174.600 0.130 0.000 1.052 306 S CA 1.742 59.970 58.200 0.046 0.000 1.068 306 S CB -0.802 62.416 63.200 0.029 0.000 0.918 306 S HN 0.347 nan 8.310 nan 0.000 0.448 307 Y N 2.227 122.536 120.300 0.014 0.000 2.420 307 Y HA 0.169 4.719 4.550 -0.000 0.000 0.292 307 Y C 2.457 178.391 175.900 0.058 0.000 1.119 307 Y CA 0.915 59.031 58.100 0.028 0.000 1.229 307 Y CB -0.415 38.055 38.460 0.017 0.000 1.026 307 Y HN 0.319 nan 8.280 nan 0.000 0.554 308 E N 0.864 121.135 120.200 0.117 0.000 2.051 308 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 308 E C 1.805 178.413 176.600 0.013 0.000 0.991 308 E CA 2.129 58.578 56.400 0.081 0.000 0.799 308 E CB -0.248 29.623 29.700 0.285 0.000 0.748 308 E HN 0.577 nan 8.360 nan 0.000 0.449 309 E N 0.023 120.258 120.200 0.058 0.000 2.118 309 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 309 E C 2.056 178.625 176.600 -0.051 0.000 0.992 309 E CA 1.154 57.567 56.400 0.022 0.000 0.804 309 E CB -0.084 29.641 29.700 0.042 0.000 0.741 309 E HN 0.242 nan 8.360 nan 0.000 0.458 310 E N 0.593 120.725 120.200 -0.112 0.000 2.077 310 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 310 E C 2.130 178.592 176.600 -0.230 0.000 0.989 310 E CA 0.827 57.123 56.400 -0.174 0.000 0.800 310 E CB -0.054 29.510 29.700 -0.226 0.000 0.746 310 E HN 0.312 nan 8.360 nan 0.000 0.452 311 L N -0.086 120.938 121.223 -0.332 0.000 2.156 311 L HA -0.031 4.308 4.340 -0.000 0.000 0.208 311 L C 2.275 179.076 176.870 -0.116 0.000 1.095 311 L CA 0.790 55.480 54.840 -0.250 0.000 0.770 311 L CB -0.344 41.548 42.059 -0.278 0.000 0.914 311 L HN 0.006 nan 8.230 nan 0.000 0.439 312 A N -0.143 122.626 122.820 -0.085 0.000 2.239 312 A HA -0.122 4.198 4.320 -0.000 0.000 0.209 312 A C 2.069 179.624 177.584 -0.048 0.000 1.171 312 A CA 0.774 52.785 52.037 -0.044 0.000 0.768 312 A CB -0.352 18.637 19.000 -0.020 0.000 0.790 312 A HN 0.299 nan 8.150 nan 0.000 0.478 313 K N 0.202 120.565 120.400 -0.062 0.000 2.360 313 K HA -0.107 4.213 4.320 -0.000 0.000 0.201 313 K C 0.039 176.599 176.600 -0.067 0.000 1.046 313 K CA 0.677 56.929 56.287 -0.058 0.000 0.945 313 K CB -0.002 32.463 32.500 -0.058 0.000 0.750 313 K HN 0.379 nan 8.250 nan 0.000 0.464 314 D N 0.922 121.279 120.400 -0.071 0.000 2.339 314 D HA 0.041 4.681 4.640 -0.000 0.000 0.241 314 D C -1.669 174.578 176.300 -0.089 0.000 1.183 314 D CA -2.416 51.531 54.000 -0.089 0.000 0.859 314 D CB 1.397 42.151 40.800 -0.076 0.000 1.067 314 D HN -0.070 nan 8.370 nan 0.000 0.484 315 P HA -0.106 nan 4.420 nan 0.000 0.225 315 P C 1.079 178.323 177.300 -0.093 0.000 1.148 315 P CA 0.667 63.713 63.100 -0.091 0.000 0.779 315 P CB 0.604 32.242 31.700 -0.103 0.000 0.780 316 R N -0.157 120.243 120.500 -0.168 0.000 2.061 316 R HA -0.008 4.332 4.340 -0.000 0.000 0.230 316 R C 2.633 178.978 176.300 0.076 0.000 1.140 316 R CA 1.165 57.148 56.100 -0.195 0.000 0.940 316 R CB -0.984 28.897 30.300 -0.698 0.000 0.839 316 R HN 0.186 nan 8.270 nan 0.000 0.429 317 I N 1.105 121.741 120.570 0.109 0.000 2.151 317 I HA -0.326 3.843 4.170 -0.000 0.000 0.243 317 I C 2.669 178.833 176.117 0.077 0.000 1.080 317 I CA 1.556 62.956 61.300 0.167 0.000 1.339 317 I CB -0.450 37.608 38.000 0.097 0.000 1.039 317 I HN 0.245 nan 8.210 nan 0.000 0.409 318 A N 0.485 123.320 122.820 0.024 0.000 1.933 318 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 318 A C 2.510 180.100 177.584 0.010 0.000 1.175 318 A CA 1.851 53.890 52.037 0.003 0.000 0.628 318 A CB -0.812 18.181 19.000 -0.012 0.000 0.814 318 A HN 0.457 nan 8.150 nan 0.000 0.444 319 A N -1.569 121.268 122.820 0.028 0.000 1.930 319 A HA -0.050 4.269 4.320 -0.000 0.000 0.217 319 A C 2.288 179.902 177.584 0.050 0.000 1.175 319 A CA 2.163 54.221 52.037 0.034 0.000 0.627 319 A CB -1.128 17.901 19.000 0.048 0.000 0.815 319 A HN 0.399 nan 8.150 nan 0.000 0.443 320 T N -0.563 114.047 114.554 0.094 0.000 2.708 320 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 320 T C 1.912 176.632 174.700 0.032 0.000 1.037 320 T CA 2.051 64.200 62.100 0.081 0.000 1.146 320 T CB -0.252 68.682 68.868 0.111 0.000 0.865 320 T HN 0.477 nan 8.240 nan 0.000 0.435 321 M N 1.148 120.755 119.600 0.012 0.000 2.254 321 M HA 0.065 4.545 4.480 -0.000 0.000 0.265 321 M C 1.932 178.195 176.300 -0.061 0.000 1.066 321 M CA 1.556 56.838 55.300 -0.031 0.000 1.123 321 M CB -0.314 32.235 32.600 -0.085 0.000 1.388 321 M HN 0.246 nan 8.290 nan 0.000 0.425 322 E N -0.213 119.960 120.200 -0.045 0.000 2.028 322 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 322 E C 1.675 178.234 176.600 -0.067 0.000 0.988 322 E CA 1.413 57.777 56.400 -0.060 0.000 0.799 322 E CB -0.111 29.566 29.700 -0.038 0.000 0.755 322 E HN 0.560 nan 8.360 nan 0.000 0.447 323 N N 0.494 119.173 118.700 -0.036 0.000 2.137 323 N HA -0.196 4.543 4.740 -0.000 0.000 0.190 323 N C 1.668 177.153 175.510 -0.040 0.000 1.017 323 N CA 1.258 54.290 53.050 -0.030 0.000 0.859 323 N CB -0.317 38.168 38.487 -0.003 0.000 1.002 323 N HN 0.250 nan 8.380 nan 0.000 0.428 324 A N 1.306 124.107 122.820 -0.031 0.000 1.877 324 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 324 A C 2.128 179.567 177.584 -0.242 0.000 1.186 324 A CA 1.225 53.254 52.037 -0.014 0.000 0.620 324 A CB -0.579 18.486 19.000 0.108 0.000 0.822 324 A HN 0.344 nan 8.150 nan 0.000 0.443 325 Q N -0.519 119.045 119.800 -0.394 0.000 2.291 325 Q HA -0.083 4.257 4.340 -0.000 0.000 0.205 325 Q C 1.073 176.852 176.000 -0.369 0.000 0.970 325 Q CA 1.283 56.697 55.803 -0.649 0.000 0.876 325 Q CB -0.094 28.374 28.738 -0.450 0.000 0.935 325 Q HN 0.597 nan 8.270 nan 0.000 0.455 326 K N 0.047 120.321 120.400 -0.210 0.000 2.410 326 K HA 0.169 4.489 4.320 -0.000 0.000 0.200 326 K C 0.284 176.828 176.600 -0.094 0.000 1.023 326 K CA -0.162 56.048 56.287 -0.128 0.000 1.149 326 K CB 1.015 33.464 32.500 -0.084 0.000 0.859 326 K HN 0.069 nan 8.250 nan 0.000 0.514 327 G N 0.529 109.271 108.800 -0.095 0.000 2.788 327 G HA2 0.244 4.204 3.960 -0.000 0.000 0.293 327 G HA3 0.244 4.204 3.960 -0.000 0.000 0.293 327 G C -1.461 173.458 174.900 0.031 0.000 1.305 327 G CA -0.435 44.650 45.100 -0.026 0.000 1.005 327 G HN 0.060 nan 8.290 nan 0.000 0.496 328 E N -0.035 120.224 120.200 0.098 0.000 2.109 328 E HA 0.350 4.700 4.350 -0.000 0.000 0.278 328 E C -0.071 176.732 176.600 0.338 0.000 0.954 328 E CA -0.474 56.047 56.400 0.201 0.000 0.779 328 E CB 0.971 30.802 29.700 0.218 0.000 1.093 328 E HN 0.279 nan 8.360 nan 0.000 0.401 329 I N 3.836 124.568 120.570 0.271 0.000 2.813 329 I HA -0.067 4.103 4.170 -0.000 0.000 0.287 329 I C 0.965 177.323 176.117 0.402 0.000 1.196 329 I CA 0.591 62.059 61.300 0.280 0.000 1.421 329 I CB 0.479 38.542 38.000 0.105 0.000 1.365 329 I HN 0.489 nan 8.210 nan 0.000 0.591 330 M N 7.947 127.821 119.600 0.457 0.000 2.251 330 M HA 0.178 4.657 4.480 -0.000 0.000 0.346 330 M C -2.126 174.318 176.300 0.241 0.000 1.499 330 M CA -1.479 53.970 55.300 0.248 0.000 1.128 330 M CB 0.264 32.926 32.600 0.103 0.000 1.809 330 M HN 0.176 nan 8.290 nan 0.000 0.464 331 P HA -0.044 nan 4.420 nan 0.000 0.264 331 P C -0.760 176.491 177.300 -0.081 0.000 1.183 331 P CA 0.123 63.086 63.100 -0.229 0.000 0.763 331 P CB 0.104 31.416 31.700 -0.648 0.000 0.807 332 N N 3.849 122.613 118.700 0.106 0.000 3.271 332 N HA 0.188 4.928 4.740 -0.000 0.000 0.303 332 N C -0.219 175.394 175.510 0.172 0.000 1.415 332 N CA -0.517 52.624 53.050 0.152 0.000 1.159 332 N CB -0.627 38.036 38.487 0.293 0.000 1.432 332 N HN 0.402 nan 8.380 nan 0.000 0.521 333 I N -4.549 116.031 120.570 0.016 0.000 2.934 333 I HA 0.591 4.760 4.170 -0.000 0.000 0.306 333 I C -1.970 174.135 176.117 -0.020 0.000 1.110 333 I CA -2.508 58.812 61.300 0.034 0.000 1.019 333 I CB 2.552 40.477 38.000 -0.125 0.000 1.227 333 I HN -0.302 nan 8.210 nan 0.000 0.434 334 P HA -0.090 nan 4.420 nan 0.000 0.219 334 P C 1.060 178.360 177.300 -0.000 0.000 1.150 334 P CA 1.308 64.414 63.100 0.010 0.000 0.814 334 P CB 0.132 31.846 31.700 0.023 0.000 0.787 335 Q N -1.055 118.705 119.800 -0.067 0.000 2.297 335 Q HA -0.130 4.210 4.340 -0.000 0.000 0.208 335 Q C 2.121 178.185 176.000 0.107 0.000 0.981 335 Q CA 1.152 56.933 55.803 -0.036 0.000 0.876 335 Q CB -1.016 27.583 28.738 -0.232 0.000 0.921 335 Q HN 0.168 nan 8.270 nan 0.000 0.446 336 M N -0.035 119.604 119.600 0.065 0.000 2.213 336 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 336 M C 1.468 177.757 176.300 -0.018 0.000 1.062 336 M CA 1.587 56.912 55.300 0.042 0.000 1.105 336 M CB -0.173 32.356 32.600 -0.117 0.000 1.385 336 M HN 0.199 nan 8.290 nan 0.000 0.417 337 S N -0.258 115.511 115.700 0.116 0.000 2.515 337 S HA 0.089 4.559 4.470 -0.000 0.000 0.231 337 S C 2.044 176.817 174.600 0.288 0.000 0.987 337 S CA 0.681 59.042 58.200 0.269 0.000 0.936 337 S CB -0.886 62.469 63.200 0.259 0.000 0.766 337 S HN 0.569 nan 8.310 nan 0.000 0.528 338 A N 1.749 124.682 122.820 0.188 0.000 1.898 338 A HA 0.069 4.389 4.320 -0.000 0.000 0.216 338 A C 1.767 179.443 177.584 0.153 0.000 1.181 338 A CA 1.053 53.196 52.037 0.177 0.000 0.620 338 A CB -0.992 18.083 19.000 0.125 0.000 0.819 338 A HN 0.458 nan 8.150 nan 0.000 0.442 339 F N -0.381 119.486 119.950 -0.139 0.000 2.063 339 F HA -0.298 4.229 4.527 -0.000 0.000 0.298 339 F C 2.025 177.658 175.800 -0.279 0.000 1.109 339 F CA 2.196 59.980 58.000 -0.360 0.000 1.212 339 F CB -0.575 37.974 39.000 -0.752 0.000 0.973 339 F HN 0.447 nan 8.300 nan 0.000 0.480 340 W N -1.472 119.989 121.300 0.268 0.000 2.355 340 W HA -0.226 4.434 4.660 -0.000 0.000 0.309 340 W C 2.441 178.919 176.519 -0.068 0.000 1.206 340 W CA 1.346 58.749 57.345 0.098 0.000 1.284 340 W CB -1.119 28.325 29.460 -0.027 0.000 1.145 340 W HN 0.048 nan 8.180 nan 0.000 0.502 341 Y N 0.091 120.528 120.300 0.227 0.000 2.163 341 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 341 Y C 2.566 178.487 175.900 0.036 0.000 1.136 341 Y CA 1.730 59.901 58.100 0.119 0.000 1.147 341 Y CB -1.152 37.365 38.460 0.094 0.000 0.987 341 Y HN -0.073 nan 8.280 nan 0.000 0.509 342 A N -0.442 122.460 122.820 0.135 0.000 1.865 342 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 342 A C 2.322 179.866 177.584 -0.067 0.000 1.191 342 A CA 2.342 54.378 52.037 -0.002 0.000 0.623 342 A CB -1.267 17.671 19.000 -0.104 0.000 0.826 342 A HN 0.257 nan 8.150 nan 0.000 0.444 343 V N -0.327 119.483 119.914 -0.173 0.000 2.548 343 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 343 V C 2.578 178.675 176.094 0.004 0.000 1.055 343 V CA 1.989 64.194 62.300 -0.159 0.000 1.065 343 V CB -0.819 30.791 31.823 -0.355 0.000 0.681 343 V HN 0.653 nan 8.190 nan 0.000 0.462 344 R N 0.304 120.833 120.500 0.049 0.000 2.091 344 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 344 R C 2.311 178.646 176.300 0.057 0.000 1.136 344 R CA 2.276 58.417 56.100 0.068 0.000 0.959 344 R CB -0.436 29.876 30.300 0.020 0.000 0.856 344 R HN 0.574 nan 8.270 nan 0.000 0.437 345 T N 0.409 115.000 114.554 0.062 0.000 2.737 345 T HA -0.038 4.312 4.350 -0.000 0.000 0.265 345 T C 1.924 176.643 174.700 0.031 0.000 1.038 345 T CA 1.105 63.238 62.100 0.055 0.000 1.144 345 T CB -0.423 68.487 68.868 0.070 0.000 0.866 345 T HN 0.424 nan 8.240 nan 0.000 0.434 346 A N 1.303 124.132 122.820 0.014 0.000 1.927 346 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 346 A C 2.609 180.200 177.584 0.012 0.000 1.185 346 A CA 1.752 53.790 52.037 0.000 0.000 0.639 346 A CB -1.302 17.682 19.000 -0.027 0.000 0.820 346 A HN 0.341 nan 8.150 nan 0.000 0.451 347 V N -0.337 119.594 119.914 0.028 0.000 2.233 347 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 347 V C 2.425 178.532 176.094 0.021 0.000 1.050 347 V CA 2.290 64.612 62.300 0.037 0.000 1.010 347 V CB -0.702 31.164 31.823 0.072 0.000 0.637 347 V HN 0.557 nan 8.190 nan 0.000 0.444 348 I N 0.593 121.177 120.570 0.024 0.000 2.127 348 I HA -0.251 3.918 4.170 -0.000 0.000 0.241 348 I C 2.264 178.386 176.117 0.008 0.000 1.075 348 I CA 1.818 63.126 61.300 0.015 0.000 1.334 348 I CB -0.704 37.309 38.000 0.022 0.000 1.040 348 I HN 0.335 nan 8.210 nan 0.000 0.405 349 N N 0.730 119.436 118.700 0.011 0.000 2.069 349 N HA -0.161 4.579 4.740 -0.000 0.000 0.191 349 N C 1.889 177.399 175.510 0.000 0.000 1.031 349 N CA 1.756 54.810 53.050 0.006 0.000 0.852 349 N CB -0.684 37.808 38.487 0.008 0.000 1.018 349 N HN 0.432 nan 8.380 nan 0.000 0.423 350 A N 0.573 123.393 122.820 -0.000 0.000 1.930 350 A HA 0.093 4.413 4.320 -0.000 0.000 0.217 350 A C 2.291 179.869 177.584 -0.010 0.000 1.175 350 A CA 1.821 53.855 52.037 -0.005 0.000 0.627 350 A CB -0.758 18.239 19.000 -0.005 0.000 0.815 350 A HN 0.336 nan 8.150 nan 0.000 0.443 351 A N 0.360 123.173 122.820 -0.011 0.000 1.832 351 A HA -0.051 4.268 4.320 -0.000 0.000 0.214 351 A C 2.482 180.055 177.584 -0.019 0.000 1.204 351 A CA 2.247 54.273 52.037 -0.019 0.000 0.606 351 A CB -1.166 17.821 19.000 -0.021 0.000 0.849 351 A HN 1.037 nan 8.150 nan 0.000 0.445 352 S N -1.472 114.219 115.700 -0.014 0.000 2.507 352 S HA 0.295 4.765 4.470 -0.000 0.000 0.235 352 S C 1.406 175.999 174.600 -0.012 0.000 0.988 352 S CA 1.279 59.470 58.200 -0.014 0.000 0.944 352 S CB -0.481 62.714 63.200 -0.010 0.000 0.762 352 S HN 2.115 nan 8.310 nan 0.000 0.526 353 G N 1.291 110.085 108.800 -0.010 0.000 2.131 353 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.223 353 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.223 353 G C 0.629 175.525 174.900 -0.006 0.000 0.990 353 G CA 0.243 45.338 45.100 -0.009 0.000 0.671 353 G HN 0.531 nan 8.290 nan 0.000 0.521 354 R N -0.437 120.061 120.500 -0.004 0.000 2.193 354 R HA 0.158 4.498 4.340 -0.000 0.000 0.213 354 R C 1.016 177.315 176.300 -0.001 0.000 1.055 354 R CA 1.270 57.369 56.100 -0.002 0.000 0.995 354 R CB 0.056 30.357 30.300 0.001 0.000 0.893 354 R HN 0.586 nan 8.270 nan 0.000 0.459 355 Q N -0.699 119.101 119.800 -0.002 0.000 2.495 355 Q HA 0.203 4.543 4.340 -0.000 0.000 0.287 355 Q C -0.918 175.080 176.000 -0.003 0.000 1.078 355 Q CA -0.748 55.054 55.803 -0.002 0.000 0.793 355 Q CB 2.397 31.135 28.738 -0.001 0.000 1.459 355 Q HN 0.124 nan 8.270 nan 0.000 0.422 356 T N -2.770 111.783 114.554 -0.002 0.000 2.874 356 T HA 0.239 4.589 4.350 -0.000 0.000 0.281 356 T C 1.182 175.881 174.700 -0.002 0.000 0.994 356 T CA -0.666 61.433 62.100 -0.001 0.000 1.015 356 T CB 0.743 69.611 68.868 0.000 0.000 1.028 356 T HN 0.298 nan 8.240 nan 0.000 0.523 357 V N 1.204 121.117 119.914 -0.001 0.000 2.407 357 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 357 V C 2.467 178.558 176.094 -0.005 0.000 1.055 357 V CA 1.937 64.235 62.300 -0.003 0.000 1.049 357 V CB -0.742 31.081 31.823 -0.001 0.000 0.662 357 V HN 0.885 nan 8.190 nan 0.000 0.455 358 D N 0.264 120.663 120.400 -0.002 0.000 2.117 358 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 358 D C 2.184 178.481 176.300 -0.006 0.000 0.982 358 D CA 1.711 55.710 54.000 -0.003 0.000 0.828 358 D CB -0.072 40.728 40.800 0.001 0.000 0.967 358 D HN 0.775 nan 8.370 nan 0.000 0.464 359 E N 0.862 121.059 120.200 -0.004 0.000 2.230 359 E HA 0.055 4.405 4.350 -0.000 0.000 0.192 359 E C 2.013 178.608 176.600 -0.008 0.000 0.987 359 E CA 0.628 57.025 56.400 -0.005 0.000 0.841 359 E CB -0.005 29.694 29.700 -0.003 0.000 0.783 359 E HN 0.081 nan 8.360 nan 0.000 0.481 360 A N 2.060 124.875 122.820 -0.009 0.000 1.873 360 A HA -0.044 4.276 4.320 -0.000 0.000 0.215 360 A C 2.255 179.825 177.584 -0.023 0.000 1.186 360 A CA 0.961 52.991 52.037 -0.012 0.000 0.616 360 A CB -0.632 18.363 19.000 -0.009 0.000 0.823 360 A HN 0.272 nan 8.150 nan 0.000 0.442 361 L N -1.110 120.098 121.223 -0.024 0.000 2.395 361 L HA -0.046 4.294 4.340 -0.000 0.000 0.218 361 L C 2.440 179.287 176.870 -0.038 0.000 1.130 361 L CA 1.133 55.951 54.840 -0.037 0.000 0.826 361 L CB -0.216 41.826 42.059 -0.029 0.000 0.941 361 L HN 0.438 nan 8.230 nan 0.000 0.451 362 K N 0.005 120.390 120.400 -0.025 0.000 2.116 362 K HA -0.125 4.195 4.320 -0.000 0.000 0.203 362 K C 1.515 178.104 176.600 -0.020 0.000 1.052 362 K CA 0.990 57.265 56.287 -0.019 0.000 0.952 362 K CB 0.220 32.715 32.500 -0.010 0.000 0.729 362 K HN 0.188 nan 8.250 nan 0.000 0.446 363 D N 0.414 120.802 120.400 -0.020 0.000 2.224 363 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 363 D C 1.670 177.951 176.300 -0.031 0.000 0.965 363 D CA 1.001 54.991 54.000 -0.017 0.000 0.852 363 D CB 0.088 40.882 40.800 -0.010 0.000 0.947 363 D HN 0.313 nan 8.370 nan 0.000 0.494 364 A N 1.308 124.094 122.820 -0.057 0.000 1.855 364 A HA -0.248 4.072 4.320 -0.000 0.000 0.215 364 A C 2.206 179.735 177.584 -0.092 0.000 1.191 364 A CA 2.066 54.039 52.037 -0.105 0.000 0.613 364 A CB -0.832 18.069 19.000 -0.165 0.000 0.829 364 A HN 0.226 nan 8.150 nan 0.000 0.442 365 Q N -0.203 119.554 119.800 -0.072 0.000 2.133 365 Q HA -0.191 4.149 4.340 -0.000 0.000 0.208 365 Q C 1.766 177.760 176.000 -0.009 0.000 0.991 365 Q CA 2.963 58.740 55.803 -0.044 0.000 0.867 365 Q CB -0.918 27.801 28.738 -0.032 0.000 0.911 365 Q HN 0.526 nan 8.270 nan 0.000 0.417 366 T N -0.065 114.485 114.554 -0.006 0.000 2.770 366 T HA -0.027 4.323 4.350 -0.000 0.000 0.258 366 T C 1.683 176.395 174.700 0.019 0.000 1.039 366 T CA 1.051 63.158 62.100 0.011 0.000 1.143 366 T CB -0.295 68.578 68.868 0.008 0.000 0.866 366 T HN 0.311 nan 8.240 nan 0.000 0.428 367 R N 0.439 120.944 120.500 0.008 0.000 2.193 367 R HA 0.022 4.362 4.340 -0.000 0.000 0.229 367 R C 2.120 178.443 176.300 0.039 0.000 1.110 367 R CA 0.966 57.077 56.100 0.018 0.000 0.988 367 R CB -0.315 29.990 30.300 0.009 0.000 0.871 367 R HN 0.436 nan 8.270 nan 0.000 0.458 368 I N -0.272 120.322 120.570 0.040 0.000 2.494 368 I HA -0.095 4.075 4.170 -0.000 0.000 0.250 368 I C 0.499 176.718 176.117 0.170 0.000 1.112 368 I CA 0.657 62.021 61.300 0.107 0.000 1.438 368 I CB 0.078 38.103 38.000 0.040 0.000 1.111 368 I HN 0.051 nan 8.210 nan 0.000 0.431 369 T N 0.969 115.598 114.554 0.125 0.000 2.863 369 T HA 0.714 5.064 4.350 -0.000 0.000 0.299 369 T C -0.237 174.511 174.700 0.082 0.000 0.973 369 T CA -0.521 61.655 62.100 0.126 0.000 0.994 369 T CB 0.678 69.610 68.868 0.107 0.000 0.961 369 T HN 0.260 nan 8.240 nan 0.000 0.552 370 A N 2.130 124.996 122.820 0.076 0.000 2.534 370 A HA 1.082 5.401 4.320 -0.000 0.000 0.300 370 A C 0.016 177.625 177.584 0.043 0.000 1.223 370 A CA -0.340 51.727 52.037 0.051 0.000 0.666 370 A CB 0.906 19.932 19.000 0.044 0.000 1.316 370 A HN 1.907 nan 8.150 nan 0.000 0.468 371 A N -1.642 121.196 122.820 0.030 0.000 3.571 371 A HA 0.376 4.696 4.320 -0.000 0.000 0.151 371 A C 0.639 178.235 177.584 0.020 0.000 1.299 371 A CA 1.007 53.059 52.037 0.025 0.000 1.178 371 A CB -1.141 17.875 19.000 0.027 0.000 0.824 371 A HN 2.161 nan 8.150 nan 0.000 0.396 372 R N -0.698 119.813 120.500 0.018 0.000 3.584 372 R HA -0.174 4.166 4.340 -0.000 0.000 0.488 372 R C 0.580 176.887 176.300 0.011 0.000 0.869 372 R CA 0.978 57.087 56.100 0.015 0.000 1.325 372 R CB -2.345 27.963 30.300 0.014 0.000 2.015 372 R HN 0.714 nan 8.270 nan 0.000 0.489 373 D N -0.076 120.331 120.400 0.010 0.000 2.370 373 D HA -0.280 4.360 4.640 -0.000 0.000 0.190 373 D C 1.758 178.061 176.300 0.005 0.000 1.019 373 D CA 3.038 57.042 54.000 0.008 0.000 0.869 373 D CB -0.375 40.429 40.800 0.007 0.000 0.944 373 D HN 0.664 nan 8.370 nan 0.000 0.456 374 G N -0.209 108.593 108.800 0.003 0.000 2.317 374 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.227 374 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.227 374 G C 1.039 175.938 174.900 -0.002 0.000 1.042 374 G CA 0.684 45.784 45.100 -0.000 0.000 0.623 374 G HN 0.388 nan 8.290 nan 0.000 0.509 375 L N 1.329 122.552 121.223 -0.000 0.000 2.056 375 L HA 0.318 4.658 4.340 -0.000 0.000 0.207 375 L C 2.551 179.420 176.870 -0.000 0.000 1.078 375 L CA 2.966 57.805 54.840 -0.000 0.000 0.749 375 L CB -0.613 41.447 42.059 0.002 0.000 0.901 375 L HN 0.400 nan 8.230 nan 0.000 0.433 376 R N -0.403 120.098 120.500 0.002 0.000 2.073 376 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 376 R C 2.209 178.506 176.300 -0.004 0.000 1.134 376 R CA 1.344 57.446 56.100 0.002 0.000 0.952 376 R CB -0.505 29.799 30.300 0.007 0.000 0.850 376 R HN 0.533 nan 8.270 nan 0.000 0.433 377 A N 0.764 123.580 122.820 -0.007 0.000 1.958 377 A HA -0.115 4.205 4.320 -0.000 0.000 0.221 377 A C 1.412 178.984 177.584 -0.021 0.000 1.178 377 A CA 1.349 53.376 52.037 -0.016 0.000 0.642 377 A CB -0.574 18.417 19.000 -0.015 0.000 0.816 377 A HN 0.184 nan 8.150 nan 0.000 0.453 381 A N 1.781 124.578 122.820 -0.038 0.000 1.883 381 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 381 A C 2.010 179.566 177.584 -0.046 0.000 1.186 381 A CA 1.763 53.773 52.037 -0.046 0.000 0.624 381 A CB -0.490 18.484 19.000 -0.043 0.000 0.822 381 A HN 0.073 nan 8.150 nan 0.000 0.444 382 R N -0.674 119.805 120.500 -0.036 0.000 2.152 382 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 382 R C 1.629 177.914 176.300 -0.026 0.000 1.117 382 R CA 1.402 57.474 56.100 -0.048 0.000 0.981 382 R CB -0.171 30.121 30.300 -0.014 0.000 0.870 382 R HN 0.582 nan 8.270 nan 0.000 0.451 383 N N -0.283 118.435 118.700 0.030 0.000 2.258 383 N HA -0.087 4.652 4.740 -0.000 0.000 0.183 383 N C 1.866 177.411 175.510 0.059 0.000 1.029 383 N CA 0.739 53.847 53.050 0.096 0.000 0.857 383 N CB -0.371 38.161 38.487 0.076 0.000 1.008 383 N HN -0.062 nan 8.380 nan 0.000 0.433 384 V N 2.019 121.939 119.914 0.011 0.000 2.277 384 V HA -0.328 3.792 4.120 -0.000 0.000 0.255 384 V C 2.632 178.723 176.094 -0.005 0.000 1.074 384 V CA 2.602 64.900 62.300 -0.003 0.000 1.058 384 V CB -1.256 30.544 31.823 -0.039 0.000 0.656 384 V HN 0.580 nan 8.190 nan 0.000 0.449 385 T N -3.578 110.946 114.554 -0.050 0.000 2.915 385 T HA -0.215 4.134 4.350 -0.000 0.000 0.269 385 T C 1.747 176.397 174.700 -0.082 0.000 1.071 385 T CA 1.427 63.477 62.100 -0.083 0.000 1.132 385 T CB -0.488 68.297 68.868 -0.139 0.000 0.878 385 T HN 0.584 nan 8.240 nan 0.000 0.479 386 H N 0.642 119.714 119.070 0.003 0.000 2.353 386 H HA 0.092 4.648 4.556 -0.000 0.000 0.300 386 H C 2.259 177.593 175.328 0.009 0.000 1.090 386 H CA 1.503 57.555 56.048 0.006 0.000 1.327 386 H CB -0.466 29.299 29.762 0.005 0.000 1.383 386 H HN 0.318 nan 8.280 nan 0.000 0.508 387 L N 0.676 121.975 121.223 0.126 0.000 1.976 387 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 387 L C 2.535 179.439 176.870 0.056 0.000 1.071 387 L CA 1.272 56.159 54.840 0.078 0.000 0.746 387 L CB -0.886 41.210 42.059 0.063 0.000 0.890 387 L HN 0.131 nan 8.230 nan 0.000 0.432 388 L N -0.542 120.704 121.223 0.039 0.000 2.089 388 L HA -0.313 4.027 4.340 -0.000 0.000 0.213 388 L C 2.568 179.456 176.870 0.030 0.000 1.079 388 L CA 2.056 56.913 54.840 0.028 0.000 0.758 388 L CB -0.474 41.591 42.059 0.010 0.000 0.891 388 L HN 0.497 nan 8.230 nan 0.000 0.433 389 Q N -1.573 118.248 119.800 0.035 0.000 2.224 389 Q HA -0.194 4.146 4.340 -0.000 0.000 0.203 389 Q C 2.151 178.182 176.000 0.052 0.000 0.970 389 Q CA 1.209 57.038 55.803 0.043 0.000 0.865 389 Q CB 0.076 28.848 28.738 0.056 0.000 0.922 389 Q HN 0.595 nan 8.270 nan 0.000 0.445 390 Q N 0.119 119.953 119.800 0.057 0.000 2.079 390 Q HA -0.171 4.168 4.340 -0.000 0.000 0.200 390 Q C 1.635 177.655 176.000 0.033 0.000 0.974 390 Q CA 1.279 57.109 55.803 0.045 0.000 0.840 390 Q CB -0.005 28.758 28.738 0.042 0.000 0.898 390 Q HN 0.523 nan 8.270 nan 0.000 0.430 391 E N 0.669 120.889 120.200 0.033 0.000 2.046 391 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 391 E C 2.289 178.905 176.600 0.026 0.000 0.982 391 E CA 0.449 56.863 56.400 0.025 0.000 0.800 391 E CB -0.064 29.652 29.700 0.026 0.000 0.756 391 E HN 0.202 nan 8.360 nan 0.000 0.449 392 L N 1.024 122.267 121.223 0.033 0.000 2.043 392 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 392 L C 2.587 179.484 176.870 0.044 0.000 1.075 392 L CA 1.450 56.314 54.840 0.041 0.000 0.752 392 L CB -1.007 41.076 42.059 0.040 0.000 0.891 392 L HN 0.240 nan 8.230 nan 0.000 0.432 393 T N -0.836 113.742 114.554 0.038 0.000 2.597 393 T HA -0.302 4.047 4.350 -0.000 0.000 0.267 393 T C 1.725 176.443 174.700 0.031 0.000 1.053 393 T CA 1.925 64.046 62.100 0.037 0.000 1.165 393 T CB -0.301 68.586 68.868 0.032 0.000 0.863 393 T HN 0.292 nan 8.240 nan 0.000 0.427 394 E N 1.506 121.718 120.200 0.020 0.000 2.070 394 E HA -0.150 4.199 4.350 -0.000 0.000 0.197 394 E C 2.250 178.846 176.600 -0.008 0.000 1.004 394 E CA 1.637 58.040 56.400 0.005 0.000 0.805 394 E CB -0.716 28.983 29.700 -0.001 0.000 0.744 394 E HN 0.459 nan 8.360 nan 0.000 0.451 395 A N 0.498 123.314 122.820 -0.007 0.000 1.883 395 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 395 A C 2.285 179.890 177.584 0.034 0.000 1.186 395 A CA 2.004 54.020 52.037 -0.034 0.000 0.624 395 A CB -0.869 18.130 19.000 -0.002 0.000 0.822 395 A HN 0.491 nan 8.150 nan 0.000 0.444 396 Q N 0.292 120.149 119.800 0.096 0.000 2.002 396 Q HA -0.255 4.084 4.340 -0.000 0.000 0.204 396 Q C 1.940 178.015 176.000 0.124 0.000 0.988 396 Q CA 2.299 58.192 55.803 0.150 0.000 0.843 396 Q CB -0.231 28.567 28.738 0.100 0.000 0.908 396 Q HN 0.806 nan 8.270 nan 0.000 0.420 397 K N -1.087 119.352 120.400 0.065 0.000 2.504 397 K HA 0.038 4.358 4.320 -0.000 0.000 0.195 397 K C 1.717 178.336 176.600 0.032 0.000 1.036 397 K CA 0.859 57.177 56.287 0.051 0.000 0.984 397 K CB -0.043 32.477 32.500 0.033 0.000 0.788 397 K HN 0.237 nan 8.250 nan 0.000 0.488 398 G N 1.683 110.481 108.800 -0.003 0.000 2.464 398 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.214 398 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.214 398 G C 1.017 175.900 174.900 -0.028 0.000 1.218 398 G CA 0.399 45.458 45.100 -0.068 0.000 0.794 398 G HN 0.191 nan 8.290 nan 0.000 0.542 399 F N 1.220 121.174 119.950 0.006 0.000 2.120 399 F HA -0.086 4.440 4.527 -0.000 0.000 0.300 399 F C 3.084 178.888 175.800 0.005 0.000 1.095 399 F CA 1.611 59.614 58.000 0.006 0.000 1.249 399 F CB -0.450 38.553 39.000 0.005 0.000 0.995 399 F HN 0.194 nan 8.300 nan 0.000 0.480 400 Q N -0.878 119.046 119.800 0.207 0.000 2.297 400 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 400 Q C 1.851 177.900 176.000 0.082 0.000 0.962 400 Q CA 1.048 56.921 55.803 0.117 0.000 0.879 400 Q CB -0.123 28.666 28.738 0.085 0.000 0.947 400 Q HN 0.331 nan 8.270 nan 0.000 0.462 401 D N -0.262 120.181 120.400 0.070 0.000 2.091 401 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 401 D C 1.876 178.206 176.300 0.051 0.000 0.980 401 D CA 0.810 54.837 54.000 0.046 0.000 0.831 401 D CB 0.181 40.997 40.800 0.025 0.000 0.987 401 D HN -0.003 nan 8.370 nan 0.000 0.460 402 V N 1.260 121.210 119.914 0.060 0.000 2.255 402 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 402 V C 2.545 178.685 176.094 0.076 0.000 1.051 402 V CA 2.139 64.478 62.300 0.065 0.000 1.018 402 V CB -0.579 31.291 31.823 0.079 0.000 0.641 402 V HN 0.294 nan 8.190 nan 0.000 0.445 403 E N -0.051 120.210 120.200 0.101 0.000 2.086 403 E HA -0.332 4.018 4.350 -0.000 0.000 0.205 403 E C 2.231 178.861 176.600 0.050 0.000 1.027 403 E CA 1.850 58.294 56.400 0.073 0.000 0.830 403 E CB -0.330 29.412 29.700 0.070 0.000 0.751 403 E HN 0.576 nan 8.360 nan 0.000 0.456 404 A N 1.237 124.087 122.820 0.051 0.000 1.859 404 A HA -0.325 3.995 4.320 -0.000 0.000 0.217 404 A C 2.168 179.781 177.584 0.048 0.000 1.198 404 A CA 2.472 54.536 52.037 0.045 0.000 0.629 404 A CB -0.977 18.049 19.000 0.043 0.000 0.830 404 A HN 0.591 nan 8.150 nan 0.000 0.446 405 Q N -1.067 118.760 119.800 0.045 0.000 2.230 405 Q HA 0.134 4.473 4.340 -0.000 0.000 0.202 405 Q C 2.045 178.071 176.000 0.044 0.000 0.963 405 Q CA 1.215 57.044 55.803 0.043 0.000 0.866 405 Q CB -0.438 28.321 28.738 0.034 0.000 0.931 405 Q HN 0.530 nan 8.270 nan 0.000 0.452 406 A N 1.863 124.709 122.820 0.042 0.000 1.930 406 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 406 A C 2.467 180.067 177.584 0.027 0.000 1.175 406 A CA 1.426 53.485 52.037 0.036 0.000 0.627 406 A CB -0.835 18.188 19.000 0.039 0.000 0.815 406 A HN 0.508 nan 8.150 nan 0.000 0.443 407 A N -0.556 122.278 122.820 0.024 0.000 1.917 407 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 407 A C 2.293 179.899 177.584 0.038 0.000 1.182 407 A CA 2.509 54.548 52.037 0.003 0.000 0.633 407 A CB -1.355 17.649 19.000 0.006 0.000 0.819 407 A HN 0.454 nan 8.150 nan 0.000 0.448 408 T N -0.029 114.584 114.554 0.099 0.000 2.904 408 T HA 0.112 4.462 4.350 -0.000 0.000 0.267 408 T C 2.099 176.877 174.700 0.130 0.000 1.059 408 T CA 1.284 63.485 62.100 0.168 0.000 1.137 408 T CB -0.302 68.630 68.868 0.107 0.000 0.879 408 T HN 0.593 nan 8.240 nan 0.000 0.467 409 A N 1.725 124.590 122.820 0.075 0.000 2.016 409 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 409 A C 2.174 179.790 177.584 0.052 0.000 1.162 409 A CA 1.158 53.229 52.037 0.057 0.000 0.662 409 A CB -0.603 18.420 19.000 0.038 0.000 0.812 409 A HN 0.390 nan 8.150 nan 0.000 0.450 410 N N -0.734 117.985 118.700 0.032 0.000 2.309 410 N HA -0.111 4.629 4.740 -0.000 0.000 0.182 410 N C 1.394 176.909 175.510 0.008 0.000 1.018 410 N CA 1.284 54.335 53.050 0.001 0.000 0.876 410 N CB -0.456 38.009 38.487 -0.038 0.000 0.972 410 N HN 0.729 nan 8.380 nan 0.000 0.434 411 H N -1.024 118.050 119.070 0.006 0.000 2.251 411 H HA -0.111 4.445 4.556 -0.000 0.000 0.294 411 H C 1.663 176.993 175.328 0.005 0.000 1.078 411 H CA 2.368 58.419 56.048 0.005 0.000 1.246 411 H CB -0.185 29.581 29.762 0.006 0.000 1.358 411 H HN 0.163 nan 8.280 nan 0.000 0.488 412 T N 0.694 115.342 114.554 0.157 0.000 2.635 412 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 412 T C 1.155 175.888 174.700 0.055 0.000 1.040 412 T CA 1.078 63.225 62.100 0.080 0.000 1.156 412 T CB -0.387 68.513 68.868 0.054 0.000 0.863 412 T HN -0.010 nan 8.240 nan 0.000 0.430 419 S N 0.175 115.882 115.700 0.012 0.000 2.374 419 S HA -0.169 4.301 4.470 -0.000 0.000 0.227 419 S C 1.878 176.482 174.600 0.008 0.000 1.037 419 S CA 1.929 60.135 58.200 0.009 0.000 1.024 419 S CB -0.379 62.827 63.200 0.010 0.000 0.861 419 S HN 0.650 nan 8.310 nan 0.000 0.456 420 L N 2.144 123.372 121.223 0.008 0.000 2.046 420 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 420 L C 1.507 178.380 176.870 0.006 0.000 1.077 420 L CA 1.889 56.733 54.840 0.006 0.000 0.747 420 L CB -0.958 41.105 42.059 0.007 0.000 0.896 420 L HN 0.110 nan 8.230 nan 0.000 0.432 421 D N -0.313 120.090 120.400 0.006 0.000 2.144 421 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 421 D C 2.189 178.492 176.300 0.005 0.000 0.978 421 D CA 1.420 55.423 54.000 0.005 0.000 0.833 421 D CB -0.134 40.669 40.800 0.005 0.000 0.961 421 D HN 0.467 nan 8.370 nan 0.000 0.470 422 A N 0.882 123.705 122.820 0.005 0.000 1.841 422 A HA -0.200 4.120 4.320 -0.000 0.000 0.214 422 A C 2.156 179.743 177.584 0.004 0.000 1.195 422 A CA 1.807 53.847 52.037 0.005 0.000 0.611 422 A CB -0.690 18.313 19.000 0.006 0.000 0.835 422 A HN 0.103 nan 8.150 nan 0.000 0.443 423 E N 0.310 120.513 120.200 0.005 0.000 2.086 423 E HA -0.230 4.120 4.350 -0.000 0.000 0.200 423 E C 1.933 178.535 176.600 0.003 0.000 1.012 423 E CA 2.126 58.529 56.400 0.004 0.000 0.812 423 E CB -0.253 29.449 29.700 0.004 0.000 0.743 423 E HN 0.642 nan 8.360 nan 0.000 0.453 424 K N -0.583 119.819 120.400 0.004 0.000 2.097 424 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 424 K C 2.100 178.701 176.600 0.003 0.000 1.050 424 K CA 1.001 57.290 56.287 0.003 0.000 0.938 424 K CB -0.150 32.352 32.500 0.003 0.000 0.718 424 K HN 0.187 nan 8.250 nan 0.000 0.442 425 A N 1.191 124.013 122.820 0.003 0.000 1.841 425 A HA -0.225 4.095 4.320 -0.000 0.000 0.214 425 A C 2.170 179.755 177.584 0.003 0.000 1.195 425 A CA 1.412 53.451 52.037 0.003 0.000 0.611 425 A CB -0.600 18.402 19.000 0.003 0.000 0.835 425 A HN 0.165 nan 8.150 nan 0.000 0.443 426 Q N -0.234 119.568 119.800 0.003 0.000 2.077 426 Q HA -0.127 4.213 4.340 -0.000 0.000 0.206 426 Q C 1.965 177.967 176.000 0.002 0.000 0.989 426 Q CA 2.318 58.123 55.803 0.003 0.000 0.853 426 Q CB -0.918 27.822 28.738 0.003 0.000 0.907 426 Q HN 0.593 nan 8.270 nan 0.000 0.418 427 G N -0.436 108.365 108.800 0.002 0.000 2.408 427 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 427 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 427 G C 1.301 176.202 174.900 0.002 0.000 1.150 427 G CA 0.939 46.040 45.100 0.002 0.000 0.776 427 G HN 0.526 nan 8.290 nan 0.000 0.542 428 Q N 0.762 120.564 119.800 0.002 0.000 2.311 428 Q HA 0.079 4.419 4.340 -0.000 0.000 0.203 428 Q C 2.127 178.128 176.000 0.002 0.000 0.954 428 Q CA 1.794 57.598 55.803 0.002 0.000 0.885 428 Q CB -0.191 28.549 28.738 0.002 0.000 0.963 428 Q HN 0.518 nan 8.270 nan 0.000 0.471 429 K N 0.036 120.437 120.400 0.002 0.000 2.137 429 K HA -0.093 4.227 4.320 -0.000 0.000 0.202 429 K C 1.990 178.592 176.600 0.002 0.000 1.052 429 K CA 1.046 57.335 56.287 0.003 0.000 0.961 429 K CB -0.016 32.486 32.500 0.003 0.000 0.741 429 K HN 0.057 nan 8.250 nan 0.000 0.452 430 K N 1.002 121.403 120.400 0.002 0.000 2.103 430 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 430 K C 1.769 178.369 176.600 0.001 0.000 1.048 430 K CA 1.478 57.766 56.287 0.002 0.000 0.930 430 K CB -0.370 32.130 32.500 0.001 0.000 0.716 430 K HN 0.076 nan 8.250 nan 0.000 0.444 431 V N 2.183 122.098 119.914 0.001 0.000 2.343 431 V HA -0.246 3.873 4.120 -0.000 0.000 0.247 431 V C 2.143 178.237 176.094 0.000 0.000 1.051 431 V CA 2.281 64.581 62.300 -0.000 0.000 1.036 431 V CB -0.646 31.177 31.823 -0.000 0.000 0.654 431 V HN 0.581 nan 8.190 nan 0.000 0.451 432 E N 0.125 120.325 120.200 0.001 0.000 2.208 432 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 432 E C 2.022 178.624 176.600 0.003 0.000 0.988 432 E CA 1.264 57.666 56.400 0.002 0.000 0.828 432 E CB -0.268 29.434 29.700 0.003 0.000 0.763 432 E HN 0.735 nan 8.360 nan 0.000 0.478 433 E N 1.473 121.675 120.200 0.003 0.000 2.031 433 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 433 E C 2.226 178.827 176.600 0.003 0.000 0.994 433 E CA 1.115 57.517 56.400 0.004 0.000 0.800 433 E CB -0.009 29.693 29.700 0.003 0.000 0.752 433 E HN 0.298 nan 8.360 nan 0.000 0.447 434 L N 0.450 121.674 121.223 0.001 0.000 2.056 434 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 434 L C 2.456 179.323 176.870 -0.004 0.000 1.078 434 L CA 1.291 56.130 54.840 -0.001 0.000 0.749 434 L CB -0.510 41.547 42.059 -0.002 0.000 0.901 434 L HN 0.176 nan 8.230 nan 0.000 0.433 435 E N 0.236 120.434 120.200 -0.004 0.000 2.209 435 E HA -0.171 4.178 4.350 -0.000 0.000 0.196 435 E C 2.146 178.742 176.600 -0.006 0.000 0.993 435 E CA 0.881 57.277 56.400 -0.007 0.000 0.819 435 E CB -0.168 29.529 29.700 -0.006 0.000 0.745 435 E HN 0.570 nan 8.360 nan 0.000 0.477 436 G N 0.922 109.722 108.800 0.001 0.000 2.404 436 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.214 436 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.214 436 G C 1.269 176.174 174.900 0.007 0.000 1.189 436 G CA 0.464 45.569 45.100 0.008 0.000 0.789 436 G HN 0.183 nan 8.290 nan 0.000 0.533 437 E N -0.026 120.176 120.200 0.004 0.000 2.130 437 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 437 E C 2.462 179.058 176.600 -0.005 0.000 0.998 437 E CA 0.764 57.166 56.400 0.003 0.000 0.806 437 E CB -0.153 29.548 29.700 0.002 0.000 0.738 437 E HN 0.482 nan 8.360 nan 0.000 0.459 438 I N 0.787 121.349 120.570 -0.014 0.000 2.113 438 I HA -0.275 3.895 4.170 -0.000 0.000 0.238 438 I C 2.806 178.892 176.117 -0.052 0.000 1.070 438 I CA 1.708 62.991 61.300 -0.028 0.000 1.332 438 I CB -0.753 37.229 38.000 -0.029 0.000 1.044 438 I HN 0.280 nan 8.210 nan 0.000 0.402 439 T N -2.511 112.009 114.554 -0.058 0.000 2.849 439 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 439 T C 1.735 176.370 174.700 -0.109 0.000 1.066 439 T CA 1.822 63.850 62.100 -0.120 0.000 1.130 439 T CB -0.731 68.091 68.868 -0.076 0.000 0.864 439 T HN 0.236 nan 8.240 nan 0.000 0.481 440 T N 2.200 116.753 114.554 -0.002 0.000 2.668 440 T HA 0.131 4.481 4.350 -0.000 0.000 0.262 440 T C 1.881 176.605 174.700 0.040 0.000 1.045 440 T CA 1.380 63.519 62.100 0.064 0.000 1.152 440 T CB -0.543 68.356 68.868 0.051 0.000 0.864 440 T HN 0.303 nan 8.240 nan 0.000 0.419 441 L N 1.489 122.716 121.223 0.006 0.000 2.013 441 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 441 L C 2.627 179.488 176.870 -0.015 0.000 1.073 441 L CA 1.225 56.066 54.840 0.002 0.000 0.753 441 L CB -0.756 41.299 42.059 -0.007 0.000 0.890 441 L HN 0.212 nan 8.230 nan 0.000 0.432 442 N N -0.529 118.129 118.700 -0.071 0.000 2.091 442 N HA -0.230 4.510 4.740 -0.000 0.000 0.193 442 N C 1.812 177.270 175.510 -0.087 0.000 1.021 442 N CA 1.749 54.732 53.050 -0.112 0.000 0.862 442 N CB -0.372 37.996 38.487 -0.198 0.000 1.018 442 N HN 0.565 nan 8.380 nan 0.000 0.429 443 H N 0.302 119.372 119.070 0.001 0.000 2.333 443 H HA 0.067 4.623 4.556 -0.000 0.000 0.302 443 H C 2.052 177.380 175.328 0.000 0.000 1.075 443 H CA 1.071 57.120 56.048 0.001 0.000 1.348 443 H CB 0.248 30.010 29.762 0.001 0.000 1.393 443 H HN 0.148 nan 8.280 nan 0.000 0.509 444 K N 0.677 121.154 120.400 0.127 0.000 2.009 444 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 444 K C 2.228 178.856 176.600 0.047 0.000 1.049 444 K CA 1.518 57.846 56.287 0.068 0.000 0.929 444 K CB -0.257 32.271 32.500 0.046 0.000 0.714 444 K HN 0.220 nan 8.250 nan 0.000 0.440 445 L N 0.968 122.210 121.223 0.033 0.000 2.083 445 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 445 L C 2.419 179.303 176.870 0.023 0.000 1.083 445 L CA 1.442 56.293 54.840 0.019 0.000 0.752 445 L CB -0.183 41.879 42.059 0.005 0.000 0.899 445 L HN 0.274 nan 8.230 nan 0.000 0.433 446 Q N -0.196 119.625 119.800 0.036 0.000 2.135 446 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 446 Q C 1.684 177.709 176.000 0.041 0.000 0.981 446 Q CA 1.933 57.761 55.803 0.041 0.000 0.856 446 Q CB -0.015 28.765 28.738 0.070 0.000 0.902 446 Q HN 0.675 nan 8.270 nan 0.000 0.425 447 D N -0.176 120.251 120.400 0.046 0.000 2.084 447 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 447 D C 1.782 178.095 176.300 0.021 0.000 0.981 447 D CA 1.205 55.224 54.000 0.031 0.000 0.841 447 D CB -0.173 40.645 40.800 0.030 0.000 0.997 447 D HN 0.201 nan 8.370 nan 0.000 0.454 448 A N 0.835 123.667 122.820 0.020 0.000 1.940 448 A HA -0.263 4.057 4.320 -0.000 0.000 0.221 448 A C 2.336 179.927 177.584 0.012 0.000 1.190 448 A CA 2.769 54.815 52.037 0.014 0.000 0.647 448 A CB -0.782 18.226 19.000 0.013 0.000 0.821 448 A HN 0.282 nan 8.150 nan 0.000 0.457 449 S N -0.909 114.799 115.700 0.013 0.000 2.362 449 S HA 0.147 4.617 4.470 -0.000 0.000 0.221 449 S C 2.108 176.714 174.600 0.010 0.000 1.032 449 S CA 1.189 59.395 58.200 0.010 0.000 0.973 449 S CB -0.524 62.682 63.200 0.010 0.000 0.849 449 S HN 0.983 nan 8.310 nan 0.000 0.465 450 A N 0.418 123.246 122.820 0.013 0.000 2.234 450 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 450 A C 1.669 179.258 177.584 0.010 0.000 1.167 450 A CA 1.127 53.172 52.037 0.012 0.000 0.698 450 A CB -0.347 18.663 19.000 0.016 0.000 0.779 450 A HN 0.645 nan 8.150 nan 0.000 0.475 451 E N -0.413 119.793 120.200 0.009 0.000 2.685 451 E HA 0.177 4.527 4.350 -0.000 0.000 0.208 451 E C 0.976 177.580 176.600 0.006 0.000 0.996 451 E CA 0.493 56.897 56.400 0.007 0.000 1.054 451 E CB 0.592 30.296 29.700 0.007 0.000 1.075 451 E HN 0.516 nan 8.360 nan 0.000 0.460 452 V N -3.577 116.341 119.914 0.006 0.000 3.048 452 V HA 0.144 4.264 4.120 -0.000 0.000 0.241 452 V C 1.750 177.847 176.094 0.004 0.000 1.129 452 V CA 0.330 62.633 62.300 0.005 0.000 1.128 452 V CB 0.065 31.891 31.823 0.004 0.000 0.849 452 V HN 0.001 nan 8.190 nan 0.000 0.475 453 E N 1.039 121.242 120.200 0.005 0.000 2.017 453 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 453 E C 2.304 178.906 176.600 0.004 0.000 0.997 453 E CA 1.941 58.344 56.400 0.004 0.000 0.804 453 E CB -0.093 29.610 29.700 0.005 0.000 0.757 453 E HN 0.558 nan 8.360 nan 0.000 0.448 454 R N 0.499 121.002 120.500 0.004 0.000 2.104 454 R HA 0.076 4.416 4.340 -0.000 0.000 0.208 454 R C 0.732 177.034 176.300 0.003 0.000 1.168 454 R CA 0.210 56.312 56.100 0.004 0.000 0.950 454 R CB -0.524 29.778 30.300 0.004 0.000 0.778 454 R HN 0.088 nan 8.270 nan 0.000 0.482 455 L N 3.025 124.250 121.223 0.003 0.000 2.838 455 L HA -0.123 4.217 4.340 -0.000 0.000 0.287 455 L C 0.596 177.467 176.870 0.003 0.000 1.124 455 L CA 0.907 55.749 54.840 0.003 0.000 1.091 455 L CB -0.803 41.258 42.059 0.003 0.000 1.448 455 L HN 0.612 nan 8.230 nan 0.000 0.455 456 R N 0.809 121.311 120.500 0.003 0.000 1.168 456 R HA -0.097 4.243 4.340 -0.000 0.000 0.006 456 R C 0.106 176.407 176.300 0.002 0.000 0.962 456 R CA -0.215 55.887 56.100 0.002 0.000 1.989 456 R CB -0.501 29.800 30.300 0.002 0.000 0.110 456 R HN 0.516 nan 8.270 nan 0.000 0.733 457 R N 0.000 120.501 120.500 0.002 0.000 2.786 457 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 457 R CA 0.000 56.101 56.100 0.002 0.000 0.921 457 R CB 0.000 30.301 30.300 0.002 0.000 0.687 457 R HN 0.000 nan 8.270 nan 0.000 0.535