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 3frx_1_B DATA FIRST_RESID 2 DATA SEQUENCE ASNEVLVLRG TLEGHNGWVT SLATSAGQPN LLLSASRDKT LISWKLTGDD DATA SEQUENCE QKFGVPVRSF KGHSHIVQDC TLTADGAYAL SASWDKTLRL WDVATGETYQ DATA SEQUENCE RFVGHKSDVX SVDIDKKASX IISGSRDKTI KVWTIKGQCL ATLLGHNDWV DATA SEQUENCE SQVRVVPNXX XXXXSVTIIS AGNDKXVKAW NLNQFQIEAD FIGHNSNINT DATA SEQUENCE LTASPDGTLI ASAGKDGEIX LWNLAAKKAX YTLSAQDEVF SLAFSPNRYW DATA SEQUENCE LAAATATGIK VFSLDPQYLV DDLRPEFAGY SKAAEPHAVS LAWSADGQTL DATA SEQUENCE FAGYTDNVIR VWQVXTAN 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.617 177.584 0.055 0.000 1.274 2 A CA 0.000 52.052 52.037 0.024 0.000 0.836 2 A CB 0.000 19.007 19.000 0.012 0.000 0.831 3 S N 0.678 116.435 115.700 0.095 0.000 2.631 3 S HA 0.162 4.632 4.470 -0.000 0.000 0.217 3 S C 0.738 175.388 174.600 0.085 0.000 0.958 3 S CA 0.861 59.114 58.200 0.088 0.000 0.920 3 S CB -0.189 63.075 63.200 0.107 0.000 0.776 3 S HN 1.127 nan 8.310 nan 0.000 0.517 4 N N 1.343 120.093 118.700 0.084 0.000 2.780 4 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 4 N C -1.152 174.414 175.510 0.094 0.000 1.102 4 N CA 0.936 54.030 53.050 0.073 0.000 0.697 4 N CB -1.598 36.920 38.487 0.052 0.000 1.028 4 N HN 0.835 nan 8.380 nan 0.000 0.554 5 E N -0.642 119.641 120.200 0.137 0.000 2.227 5 E HA 0.707 5.057 4.350 -0.000 0.000 0.268 5 E C -0.099 176.612 176.600 0.185 0.000 0.907 5 E CA -0.956 55.545 56.400 0.169 0.000 0.786 5 E CB 2.159 31.991 29.700 0.220 0.000 1.191 5 E HN 0.186 nan 8.360 nan 0.000 0.411 6 V N -0.835 119.180 119.914 0.168 0.000 3.114 6 V HA 0.517 4.637 4.120 -0.000 0.000 0.308 6 V C -0.887 175.306 176.094 0.166 0.000 1.168 6 V CA -1.217 61.168 62.300 0.142 0.000 1.015 6 V CB 1.322 33.200 31.823 0.092 0.000 1.050 6 V HN 0.548 nan 8.190 nan 0.000 0.433 7 L N 2.440 123.746 121.223 0.138 0.000 2.290 7 L HA 0.691 5.031 4.340 -0.000 0.000 0.284 7 L C -0.559 176.458 176.870 0.245 0.000 1.078 7 L CA -0.438 54.510 54.840 0.180 0.000 0.815 7 L CB 1.532 43.624 42.059 0.056 0.000 1.162 7 L HN 0.571 nan 8.230 nan 0.000 0.435 8 V N 4.325 124.408 119.914 0.281 0.000 2.588 8 V HA 0.253 4.373 4.120 -0.000 0.000 0.304 8 V C -0.176 175.940 176.094 0.036 0.000 1.042 8 V CA -0.781 61.634 62.300 0.192 0.000 0.877 8 V CB 2.145 34.015 31.823 0.079 0.000 0.996 8 V HN 0.438 nan 8.190 nan 0.000 0.425 9 L N 6.043 127.143 121.223 -0.205 0.000 2.500 9 L HA 0.293 4.633 4.340 -0.000 0.000 0.272 9 L C 1.323 177.927 176.870 -0.444 0.000 1.149 9 L CA 0.861 55.239 54.840 -0.770 0.000 0.897 9 L CB 0.108 41.740 42.059 -0.710 0.000 1.178 9 L HN 0.543 nan 8.230 nan 0.000 0.473 10 R N 3.477 123.696 120.500 -0.469 0.000 2.175 10 R HA 0.447 4.787 4.340 -0.000 0.000 0.202 10 R C 0.597 176.779 176.300 -0.197 0.000 1.018 10 R CA 0.612 56.569 56.100 -0.238 0.000 1.029 10 R CB 0.364 30.573 30.300 -0.152 0.000 0.959 10 R HN 0.851 nan 8.270 nan 0.000 0.480 11 G N -0.516 108.075 108.800 -0.348 0.000 2.341 11 G HA2 0.191 4.151 3.960 -0.000 0.000 0.299 11 G HA3 0.191 4.151 3.960 -0.000 0.000 0.299 11 G C -1.291 173.425 174.900 -0.308 0.000 1.274 11 G CA -0.121 44.842 45.100 -0.228 0.000 0.853 11 G HN 0.090 nan 8.290 nan 0.000 0.493 12 T N -1.976 112.471 114.554 -0.179 0.000 2.906 12 T HA 0.762 5.112 4.350 -0.000 0.000 0.295 12 T C -0.894 173.736 174.700 -0.115 0.000 1.075 12 T CA -0.764 61.227 62.100 -0.183 0.000 1.005 12 T CB 1.920 70.696 68.868 -0.153 0.000 1.136 12 T HN 0.674 nan 8.240 nan 0.000 0.498 13 L N 1.765 122.871 121.223 -0.195 0.000 2.377 13 L HA 0.512 4.851 4.340 -0.000 0.000 0.270 13 L C -0.245 176.530 176.870 -0.157 0.000 0.991 13 L CA -0.692 53.959 54.840 -0.315 0.000 0.851 13 L CB 1.463 42.957 42.059 -0.942 0.000 1.218 13 L HN 0.749 nan 8.230 nan 0.000 0.420 14 E N 1.591 121.878 120.200 0.144 0.000 2.202 14 E HA 0.720 5.070 4.350 -0.000 0.000 0.272 14 E C 0.510 177.358 176.600 0.413 0.000 0.951 14 E CA -0.313 56.228 56.400 0.235 0.000 0.813 14 E CB 2.458 32.238 29.700 0.134 0.000 1.151 14 E HN 0.725 nan 8.360 nan 0.000 0.398 15 G N 1.586 110.574 108.800 0.313 0.000 3.751 15 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.216 15 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.216 15 G C -0.055 174.860 174.900 0.025 0.000 0.911 15 G CA -0.501 44.673 45.100 0.123 0.000 0.869 15 G HN 0.473 nan 8.290 nan 0.000 0.462 16 H N 0.446 119.652 119.070 0.227 0.000 2.547 16 H HA 0.405 4.961 4.556 -0.000 0.000 0.362 16 H C 0.196 175.588 175.328 0.107 0.000 1.181 16 H CA 0.412 56.551 56.048 0.151 0.000 1.376 16 H CB 1.206 31.078 29.762 0.183 0.000 1.488 16 H HN 0.254 nan 8.280 nan 0.000 0.583 17 N N -0.283 118.560 118.700 0.238 0.000 2.238 17 N HA 0.259 4.999 4.740 -0.000 0.000 0.235 17 N C 0.063 175.636 175.510 0.106 0.000 1.209 17 N CA -0.245 52.887 53.050 0.136 0.000 0.879 17 N CB 1.461 39.997 38.487 0.082 0.000 1.136 17 N HN 0.627 nan 8.380 nan 0.000 0.517 18 G N -0.667 108.209 108.800 0.127 0.000 2.649 18 G HA2 0.268 4.228 3.960 -0.000 0.000 0.290 18 G HA3 0.268 4.228 3.960 -0.000 0.000 0.290 18 G C -1.558 173.449 174.900 0.179 0.000 1.426 18 G CA -0.857 44.295 45.100 0.086 0.000 0.794 18 G HN 0.017 nan 8.290 nan 0.000 0.483 19 W N 0.477 121.717 121.300 -0.100 0.000 2.484 19 W HA 0.246 4.906 4.660 -0.000 0.000 0.337 19 W C 0.580 177.005 176.519 -0.157 0.000 1.214 19 W CA -0.690 56.586 57.345 -0.116 0.000 1.296 19 W CB -0.103 29.271 29.460 -0.144 0.000 1.174 19 W HN 0.134 nan 8.180 nan 0.000 0.564 20 V N 5.075 125.028 119.914 0.064 0.000 2.352 20 V HA -0.021 4.099 4.120 -0.000 0.000 0.253 20 V C 1.373 177.448 176.094 -0.032 0.000 1.083 20 V CA 0.561 62.832 62.300 -0.049 0.000 0.993 20 V CB -0.334 31.499 31.823 0.016 0.000 1.111 20 V HN 0.719 nan 8.190 nan 0.000 0.490 21 T N 0.105 114.638 114.554 -0.035 0.000 3.043 21 T HA 0.075 4.425 4.350 -0.000 0.000 0.263 21 T C 0.774 175.470 174.700 -0.007 0.000 1.094 21 T CA 0.669 62.772 62.100 0.005 0.000 1.127 21 T CB 0.314 69.188 68.868 0.009 0.000 0.905 21 T HN 0.576 nan 8.240 nan 0.000 0.490 22 S N -0.510 115.174 115.700 -0.027 0.000 2.537 22 S HA 0.662 5.132 4.470 -0.000 0.000 0.271 22 S C -1.940 172.652 174.600 -0.013 0.000 1.148 22 S CA -1.001 57.191 58.200 -0.013 0.000 0.868 22 S CB 1.043 64.237 63.200 -0.011 0.000 1.115 22 S HN 0.374 nan 8.310 nan 0.000 0.461 23 L N 2.476 123.696 121.223 -0.005 0.000 2.388 23 L HA 0.982 5.322 4.340 -0.000 0.000 0.264 23 L C -0.415 176.451 176.870 -0.007 0.000 0.998 23 L CA -0.864 53.967 54.840 -0.015 0.000 0.817 23 L CB 2.156 44.204 42.059 -0.018 0.000 1.338 23 L HN 0.835 nan 8.230 nan 0.000 0.414 24 A N 0.732 123.536 122.820 -0.027 0.000 2.520 24 A HA 0.867 5.187 4.320 -0.000 0.000 0.298 24 A C -0.634 176.939 177.584 -0.020 0.000 1.051 24 A CA -0.409 51.628 52.037 -0.001 0.000 0.690 24 A CB 2.021 21.023 19.000 0.002 0.000 1.281 24 A HN 0.674 nan 8.150 nan 0.000 0.402 25 T N -1.207 113.366 114.554 0.031 0.000 2.907 25 T HA 0.884 5.234 4.350 -0.000 0.000 0.290 25 T C -0.202 174.543 174.700 0.075 0.000 1.066 25 T CA -0.092 62.033 62.100 0.042 0.000 1.012 25 T CB 1.563 70.490 68.868 0.098 0.000 1.184 25 T HN 1.983 nan 8.240 nan 0.000 0.522 26 S N -0.363 115.385 115.700 0.080 0.000 2.540 26 S HA 0.695 5.164 4.470 -0.000 0.000 0.275 26 S C 1.121 175.773 174.600 0.087 0.000 1.123 26 S CA -0.424 57.826 58.200 0.083 0.000 0.907 26 S CB 1.447 64.692 63.200 0.074 0.000 1.081 26 S HN 1.297 nan 8.310 nan 0.000 0.476 27 A N 2.778 125.647 122.820 0.082 0.000 1.969 27 A HA 0.218 4.538 4.320 -0.000 0.000 0.218 27 A C 2.032 179.656 177.584 0.067 0.000 1.169 27 A CA 1.717 53.798 52.037 0.074 0.000 0.635 27 A CB -1.517 17.521 19.000 0.063 0.000 0.810 27 A HN 1.323 nan 8.150 nan 0.000 0.445 28 G N -1.395 107.445 108.800 0.067 0.000 2.418 28 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.217 28 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.217 28 G C 0.841 175.776 174.900 0.059 0.000 1.158 28 G CA 0.667 45.804 45.100 0.061 0.000 0.771 28 G HN 0.491 nan 8.290 nan 0.000 0.545 29 Q N 0.299 120.137 119.800 0.064 0.000 2.907 29 Q HA 0.179 4.519 4.340 -0.000 0.000 0.262 29 Q C -1.971 174.075 176.000 0.076 0.000 0.997 29 Q CA -1.633 54.208 55.803 0.063 0.000 0.797 29 Q CB 2.187 30.960 28.738 0.058 0.000 1.228 29 Q HN 0.286 nan 8.270 nan 0.000 0.466 30 P HA -0.152 nan 4.420 nan 0.000 0.220 30 P C 0.418 177.792 177.300 0.124 0.000 1.144 30 P CA 1.127 64.292 63.100 0.108 0.000 0.800 30 P CB 0.489 32.247 31.700 0.097 0.000 0.772 31 N N -0.572 118.187 118.700 0.098 0.000 2.270 31 N HA 0.087 4.827 4.740 -0.000 0.000 0.198 31 N C 0.311 175.882 175.510 0.101 0.000 1.117 31 N CA -0.062 53.048 53.050 0.101 0.000 0.845 31 N CB 0.087 38.614 38.487 0.067 0.000 0.980 31 N HN 0.216 nan 8.380 nan 0.000 0.486 32 L N 0.971 122.246 121.223 0.087 0.000 2.307 32 L HA 0.572 4.912 4.340 -0.000 0.000 0.284 32 L C -1.100 175.790 176.870 0.033 0.000 1.023 32 L CA -0.856 54.030 54.840 0.077 0.000 0.810 32 L CB 1.345 43.445 42.059 0.067 0.000 1.231 32 L HN -0.140 nan 8.230 nan 0.000 0.423 33 L N 5.229 126.479 121.223 0.045 0.000 2.385 33 L HA 0.667 5.007 4.340 -0.000 0.000 0.273 33 L C -1.624 175.321 176.870 0.124 0.000 0.990 33 L CA -0.432 54.369 54.840 -0.065 0.000 0.821 33 L CB 1.828 43.678 42.059 -0.349 0.000 1.279 33 L HN 0.732 nan 8.230 nan 0.000 0.412 34 L N 4.377 125.619 121.223 0.031 0.000 2.317 34 L HA 0.851 5.191 4.340 -0.000 0.000 0.281 34 L C -0.579 176.335 176.870 0.073 0.000 1.024 34 L CA 0.263 55.126 54.840 0.038 0.000 0.810 34 L CB 1.854 43.858 42.059 -0.093 0.000 1.240 34 L HN 0.818 nan 8.230 nan 0.000 0.427 35 S N 3.522 119.334 115.700 0.186 0.000 2.536 35 S HA 0.978 5.448 4.470 -0.000 0.000 0.287 35 S C -0.739 173.948 174.600 0.144 0.000 1.101 35 S CA -0.384 57.952 58.200 0.226 0.000 0.950 35 S CB 1.675 65.190 63.200 0.525 0.000 1.056 35 S HN 1.001 nan 8.310 nan 0.000 0.481 36 A N 1.226 124.036 122.820 -0.016 0.000 2.354 36 A HA 0.950 5.270 4.320 -0.000 0.000 0.321 36 A C -0.138 177.276 177.584 -0.283 0.000 1.125 36 A CA -0.793 51.177 52.037 -0.112 0.000 0.799 36 A CB 1.727 20.672 19.000 -0.091 0.000 1.293 36 A HN 1.390 nan 8.150 nan 0.000 0.452 37 S N -0.637 114.882 115.700 -0.301 0.000 2.579 37 S HA 0.423 4.893 4.470 -0.000 0.000 0.272 37 S C 0.454 174.936 174.600 -0.198 0.000 1.141 37 S CA -0.645 57.348 58.200 -0.345 0.000 0.843 37 S CB 1.356 64.159 63.200 -0.662 0.000 1.122 37 S HN 0.645 nan 8.310 nan 0.000 0.468 38 R N 0.664 121.053 120.500 -0.186 0.000 2.341 38 R HA -0.041 4.298 4.340 -0.000 0.000 0.213 38 R C 0.484 176.675 176.300 -0.182 0.000 1.082 38 R CA 1.386 57.327 56.100 -0.264 0.000 1.017 38 R CB -0.379 29.693 30.300 -0.380 0.000 0.860 38 R HN 0.715 nan 8.270 nan 0.000 0.473 39 D N 0.290 120.635 120.400 -0.092 0.000 2.338 39 D HA -0.074 4.566 4.640 -0.000 0.000 0.239 39 D C 0.044 176.345 176.300 0.001 0.000 1.095 39 D CA 0.131 54.117 54.000 -0.023 0.000 0.888 39 D CB -0.062 40.778 40.800 0.067 0.000 0.899 39 D HN 0.042 nan 8.370 nan 0.000 0.525 40 K N -1.747 118.640 120.400 -0.022 0.000 3.512 40 K HA -0.166 4.154 4.320 -0.000 0.000 0.309 40 K C 0.092 176.758 176.600 0.110 0.000 1.350 40 K CA 1.336 57.648 56.287 0.042 0.000 0.960 40 K CB -2.593 29.940 32.500 0.056 0.000 1.290 40 K HN 0.573 nan 8.250 nan 0.000 0.454 41 T N -1.593 113.015 114.554 0.090 0.000 2.907 41 T HA 0.765 5.115 4.350 -0.000 0.000 0.290 41 T C -0.439 174.321 174.700 0.099 0.000 1.066 41 T CA -1.166 60.998 62.100 0.106 0.000 1.012 41 T CB 1.994 70.928 68.868 0.110 0.000 1.184 41 T HN 0.040 nan 8.240 nan 0.000 0.522 42 L N 0.605 121.833 121.223 0.008 0.000 2.333 42 L HA 0.709 5.048 4.340 -0.000 0.000 0.269 42 L C -0.507 176.424 176.870 0.101 0.000 1.010 42 L CA -0.849 53.969 54.840 -0.037 0.000 0.818 42 L CB 1.743 43.498 42.059 -0.507 0.000 1.306 42 L HN 0.664 nan 8.230 nan 0.000 0.430 43 I N 0.629 121.245 120.570 0.078 0.000 2.498 43 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 43 I C -0.401 175.633 176.117 -0.139 0.000 1.032 43 I CA -0.487 60.731 61.300 -0.136 0.000 1.073 43 I CB 2.278 39.891 38.000 -0.647 0.000 1.251 43 I HN 0.666 nan 8.210 nan 0.000 0.426 44 S N 3.948 119.629 115.700 -0.032 0.000 2.525 44 S HA 0.582 5.052 4.470 -0.000 0.000 0.278 44 S C -1.412 173.066 174.600 -0.203 0.000 1.234 44 S CA -0.618 57.590 58.200 0.013 0.000 1.058 44 S CB 0.654 63.973 63.200 0.199 0.000 0.983 44 S HN 0.440 nan 8.310 nan 0.000 0.495 45 W N 1.317 122.620 121.300 0.004 0.000 2.632 45 W HA 0.509 5.169 4.660 -0.000 0.000 0.328 45 W C 0.117 176.642 176.519 0.010 0.000 1.044 45 W CA -0.958 56.388 57.345 0.003 0.000 1.225 45 W CB 1.486 30.946 29.460 -0.000 0.000 1.396 45 W HN 0.644 nan 8.180 nan 0.000 0.499 46 K N 3.824 124.356 120.400 0.220 0.000 2.285 46 K HA 0.412 4.732 4.320 -0.000 0.000 0.286 46 K C -0.753 175.940 176.600 0.155 0.000 1.072 46 K CA -0.331 56.041 56.287 0.141 0.000 0.913 46 K CB 0.330 32.874 32.500 0.073 0.000 1.067 46 K HN 0.581 nan 8.250 nan 0.000 0.479 47 L N 5.152 126.453 121.223 0.131 0.000 2.278 47 L HA 0.167 4.507 4.340 -0.000 0.000 0.287 47 L C 1.445 178.272 176.870 -0.071 0.000 1.072 47 L CA -0.417 54.475 54.840 0.086 0.000 0.819 47 L CB 1.209 43.388 42.059 0.201 0.000 1.176 47 L HN 0.854 nan 8.230 nan 0.000 0.435 48 T N -2.028 112.407 114.554 -0.198 0.000 3.023 48 T HA 0.131 4.481 4.350 -0.000 0.000 0.249 48 T C 1.098 175.537 174.700 -0.435 0.000 1.050 48 T CA 0.377 62.343 62.100 -0.223 0.000 1.088 48 T CB 0.277 69.064 68.868 -0.134 0.000 0.946 48 T HN 0.809 nan 8.240 nan 0.000 0.480 49 G N 1.726 109.927 108.800 -0.998 0.000 2.381 49 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.281 49 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.281 49 G C -0.639 173.958 174.900 -0.505 0.000 0.984 49 G CA 0.233 44.451 45.100 -1.470 0.000 1.339 49 G HN 0.839 nan 8.290 nan 0.000 0.485 50 D N 0.456 120.677 120.400 -0.300 0.000 2.599 50 D HA 0.526 5.166 4.640 -0.000 0.000 0.252 50 D C 0.616 176.907 176.300 -0.014 0.000 1.232 50 D CA 0.601 54.535 54.000 -0.110 0.000 0.819 50 D CB 1.270 42.004 40.800 -0.110 0.000 1.401 50 D HN 0.190 nan 8.370 nan 0.000 0.429 51 D N -0.249 120.147 120.400 -0.008 0.000 3.301 51 D HA -0.247 4.393 4.640 -0.000 0.000 0.217 51 D C -0.108 176.200 176.300 0.014 0.000 1.548 51 D CA 0.932 54.933 54.000 0.002 0.000 1.118 51 D CB -0.379 40.421 40.800 0.000 0.000 0.684 51 D HN 0.458 nan 8.370 nan 0.000 0.821 52 Q N 0.396 120.204 119.800 0.012 0.000 2.225 52 Q HA 0.202 4.542 4.340 -0.000 0.000 0.259 52 Q C -0.444 175.575 176.000 0.031 0.000 0.872 52 Q CA 0.058 55.868 55.803 0.013 0.000 1.042 52 Q CB 0.230 28.965 28.738 -0.006 0.000 1.142 52 Q HN 0.172 nan 8.270 nan 0.000 0.463 53 K N 0.171 120.602 120.400 0.051 0.000 2.701 53 K HA 0.113 4.433 4.320 -0.000 0.000 0.212 53 K C -0.321 176.343 176.600 0.107 0.000 1.035 53 K CA -0.230 56.103 56.287 0.077 0.000 1.048 53 K CB 0.210 32.744 32.500 0.057 0.000 1.234 53 K HN 0.129 nan 8.250 nan 0.000 0.540 54 F N 1.669 121.618 119.950 -0.002 0.000 2.250 54 F HA -0.008 4.519 4.527 -0.000 0.000 0.301 54 F C 0.833 176.669 175.800 0.061 0.000 1.077 54 F CA 1.835 59.842 58.000 0.012 0.000 1.348 54 F CB 0.517 39.508 39.000 -0.015 0.000 1.040 54 F HN 0.551 nan 8.300 nan 0.000 0.509 55 G N -1.246 107.681 108.800 0.212 0.000 2.495 55 G HA2 0.468 4.428 3.960 -0.000 0.000 0.294 55 G HA3 0.468 4.428 3.960 -0.000 0.000 0.294 55 G C -2.034 173.036 174.900 0.283 0.000 1.397 55 G CA -0.197 45.027 45.100 0.206 0.000 0.790 55 G HN 0.468 nan 8.290 nan 0.000 0.486 56 V N -2.809 117.281 119.914 0.293 0.000 2.876 56 V HA 0.887 5.007 4.120 -0.000 0.000 0.312 56 V C -2.919 173.275 176.094 0.168 0.000 1.085 56 V CA -2.765 59.685 62.300 0.250 0.000 0.945 56 V CB 2.133 34.015 31.823 0.097 0.000 1.017 56 V HN 0.582 nan 8.190 nan 0.000 0.428 57 P HA 0.300 nan 4.420 nan 0.000 0.271 57 P C 0.660 177.786 177.300 -0.289 0.000 1.220 57 P CA 0.105 62.868 63.100 -0.562 0.000 0.768 57 P CB 1.218 32.480 31.700 -0.731 0.000 0.848 58 V N 1.416 121.171 119.914 -0.264 0.000 3.151 58 V HA 0.358 4.478 4.120 -0.000 0.000 0.241 58 V C 0.580 176.555 176.094 -0.198 0.000 1.173 58 V CA 0.676 62.878 62.300 -0.163 0.000 1.154 58 V CB -0.273 31.501 31.823 -0.083 0.000 0.898 58 V HN 0.281 nan 8.190 nan 0.000 0.473 59 R N 0.663 121.021 120.500 -0.237 0.000 2.744 59 R HA 0.715 5.055 4.340 -0.000 0.000 0.279 59 R C -1.037 175.054 176.300 -0.347 0.000 0.977 59 R CA -0.073 55.830 56.100 -0.328 0.000 0.906 59 R CB 1.908 31.939 30.300 -0.448 0.000 1.197 59 R HN 0.356 nan 8.270 nan 0.000 0.463 60 S N 1.686 117.147 115.700 -0.397 0.000 2.454 60 S HA 0.625 5.094 4.470 -0.000 0.000 0.306 60 S C -1.070 173.284 174.600 -0.410 0.000 1.100 60 S CA -0.564 57.471 58.200 -0.275 0.000 1.087 60 S CB 0.375 63.454 63.200 -0.202 0.000 1.019 60 S HN 0.390 nan 8.310 nan 0.000 0.480 61 F N 4.331 124.079 119.950 -0.336 0.000 2.293 61 F HA 0.438 4.965 4.527 -0.000 0.000 0.370 61 F C 0.603 176.172 175.800 -0.384 0.000 1.090 61 F CA -0.753 56.896 58.000 -0.585 0.000 1.133 61 F CB 0.972 39.206 39.000 -1.277 0.000 1.360 61 F HN 0.290 nan 8.300 nan 0.000 0.489 62 K N 1.342 121.795 120.400 0.090 0.000 2.164 62 K HA 0.799 5.119 4.320 -0.000 0.000 0.258 62 K C 0.568 177.409 176.600 0.401 0.000 0.951 62 K CA -0.658 55.750 56.287 0.201 0.000 0.844 62 K CB 2.208 34.762 32.500 0.090 0.000 1.099 62 K HN 0.735 nan 8.250 nan 0.000 0.435 63 G N 0.974 109.975 108.800 0.334 0.000 3.914 63 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.187 63 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.187 63 G C -0.270 174.692 174.900 0.105 0.000 0.927 63 G CA -0.478 44.735 45.100 0.187 0.000 0.893 63 G HN 0.544 nan 8.290 nan 0.000 0.354 64 H N 1.647 120.883 119.070 0.276 0.000 2.771 64 H HA 0.370 4.926 4.556 -0.000 0.000 0.364 64 H C 1.262 176.668 175.328 0.129 0.000 1.133 64 H CA 1.240 57.404 56.048 0.194 0.000 1.423 64 H CB 1.620 31.511 29.762 0.215 0.000 1.425 64 H HN 0.347 nan 8.280 nan 0.000 0.606 65 S N 1.659 117.516 115.700 0.262 0.000 2.568 65 S HA 0.110 4.580 4.470 -0.000 0.000 0.232 65 S C 0.407 175.084 174.600 0.128 0.000 0.975 65 S CA -0.243 58.045 58.200 0.147 0.000 0.949 65 S CB 0.346 63.613 63.200 0.111 0.000 0.829 65 S HN 0.659 nan 8.310 nan 0.000 0.479 66 H N 0.131 119.245 119.070 0.074 0.000 2.950 66 H HA 0.466 5.022 4.556 -0.000 0.000 0.272 66 H C -0.900 174.352 175.328 -0.127 0.000 1.495 66 H CA -1.339 54.699 56.048 -0.015 0.000 1.183 66 H CB 0.824 30.621 29.762 0.058 0.000 1.867 66 H HN 0.142 nan 8.280 nan 0.000 0.597 67 I N 1.820 122.456 120.570 0.110 0.000 2.826 67 I HA -0.086 4.084 4.170 -0.000 0.000 0.295 67 I C 0.257 176.180 176.117 -0.324 0.000 1.213 67 I CA 0.321 61.385 61.300 -0.393 0.000 1.436 67 I CB 0.228 37.500 38.000 -1.215 0.000 1.348 67 I HN 0.062 nan 8.210 nan 0.000 0.570 68 V N 7.317 127.090 119.914 -0.235 0.000 2.368 68 V HA 0.041 4.161 4.120 -0.000 0.000 0.266 68 V C 0.716 176.728 176.094 -0.137 0.000 1.045 68 V CA -0.251 61.934 62.300 -0.192 0.000 0.899 68 V CB 1.170 32.919 31.823 -0.123 0.000 1.006 68 V HN 0.764 nan 8.190 nan 0.000 0.470 69 Q N 3.192 122.965 119.800 -0.045 0.000 2.204 69 Q HA 0.090 4.430 4.340 -0.000 0.000 0.198 69 Q C 0.380 176.393 176.000 0.022 0.000 0.946 69 Q CA 1.163 56.997 55.803 0.053 0.000 0.859 69 Q CB 0.375 29.248 28.738 0.225 0.000 0.946 69 Q HN 0.843 nan 8.270 nan 0.000 0.474 70 D N -1.543 118.853 120.400 -0.006 0.000 2.596 70 D HA 0.501 5.141 4.640 -0.000 0.000 0.234 70 D C -1.509 174.780 176.300 -0.018 0.000 1.181 70 D CA -0.486 53.511 54.000 -0.006 0.000 0.856 70 D CB 1.679 42.479 40.800 0.001 0.000 1.498 70 D HN 0.270 nan 8.370 nan 0.000 0.446 71 C N -0.118 119.173 119.300 -0.015 0.000 3.288 71 C HA 0.970 5.430 4.460 -0.000 0.000 0.318 71 C C -0.791 174.194 174.990 -0.008 0.000 1.356 71 C CA -0.500 58.505 59.018 -0.022 0.000 1.359 71 C CB 1.307 29.008 27.740 -0.065 0.000 1.688 71 C HN 0.603 nan 8.230 nan 0.000 0.467 72 T N 0.670 115.223 114.554 -0.002 0.000 2.840 72 T HA 0.652 5.002 4.350 -0.000 0.000 0.317 72 T C -1.704 173.014 174.700 0.030 0.000 1.401 72 T CA -0.423 61.688 62.100 0.018 0.000 1.028 72 T CB 1.267 70.155 68.868 0.033 0.000 1.317 72 T HN 0.842 nan 8.240 nan 0.000 0.495 73 L N 2.687 123.937 121.223 0.045 0.000 2.330 73 L HA 0.609 4.949 4.340 -0.000 0.000 0.271 73 L C 1.048 177.977 176.870 0.098 0.000 1.013 73 L CA -1.028 53.854 54.840 0.071 0.000 0.816 73 L CB 2.149 44.242 42.059 0.056 0.000 1.287 73 L HN 0.884 nan 8.230 nan 0.000 0.435 74 T N -1.350 113.287 114.554 0.139 0.000 2.766 74 T HA 0.227 4.577 4.350 -0.000 0.000 0.295 74 T C 1.254 176.026 174.700 0.119 0.000 1.024 74 T CA -0.054 62.132 62.100 0.144 0.000 1.018 74 T CB 1.117 70.114 68.868 0.215 0.000 1.002 74 T HN 0.668 nan 8.240 nan 0.000 0.532 75 A N 1.506 124.390 122.820 0.106 0.000 1.917 75 A HA -0.157 4.162 4.320 -0.000 0.000 0.219 75 A C 1.900 179.538 177.584 0.090 0.000 1.182 75 A CA 2.006 54.097 52.037 0.090 0.000 0.633 75 A CB -1.160 17.888 19.000 0.079 0.000 0.819 75 A HN 0.999 nan 8.150 nan 0.000 0.448 76 D N -2.382 118.080 120.400 0.104 0.000 2.355 76 D HA 0.268 4.908 4.640 -0.000 0.000 0.218 76 D C 1.253 177.604 176.300 0.085 0.000 1.004 76 D CA 1.024 55.080 54.000 0.093 0.000 0.880 76 D CB -0.685 40.178 40.800 0.104 0.000 0.911 76 D HN 0.883 nan 8.370 nan 0.000 0.528 77 G N -0.139 108.718 108.800 0.096 0.000 2.162 77 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 77 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 77 G C 1.190 176.124 174.900 0.056 0.000 0.976 77 G CA 0.589 45.736 45.100 0.078 0.000 0.655 77 G HN 0.776 nan 8.290 nan 0.000 0.533 78 A N -1.316 121.532 122.820 0.046 0.000 2.016 78 A HA 0.530 4.850 4.320 -0.000 0.000 0.217 78 A C 0.778 178.168 177.584 -0.324 0.000 1.162 78 A CA 1.315 53.268 52.037 -0.140 0.000 0.662 78 A CB 0.020 18.917 19.000 -0.172 0.000 0.812 78 A HN 0.803 nan 8.150 nan 0.000 0.450 79 Y N -2.026 118.365 120.300 0.151 0.000 2.499 79 Y HA 0.638 5.188 4.550 0.000 0.000 0.347 79 Y C 0.161 176.152 175.900 0.152 0.000 0.987 79 Y CA -0.697 57.518 58.100 0.191 0.000 1.044 79 Y CB 1.842 40.415 38.460 0.189 0.000 1.245 79 Y HN 0.150 nan 8.280 nan 0.000 0.461 80 A N 2.992 126.021 122.820 0.348 0.000 2.374 80 A HA 0.895 5.215 4.320 -0.000 0.000 0.317 80 A C -1.615 176.153 177.584 0.306 0.000 1.094 80 A CA -0.726 51.428 52.037 0.195 0.000 0.765 80 A CB 1.064 20.021 19.000 -0.072 0.000 1.268 80 A HN 0.753 nan 8.150 nan 0.000 0.438 81 L N 1.592 122.921 121.223 0.177 0.000 2.362 81 L HA 0.669 5.009 4.340 -0.000 0.000 0.271 81 L C 0.058 177.012 176.870 0.140 0.000 1.002 81 L CA -0.476 54.455 54.840 0.152 0.000 0.818 81 L CB 2.433 44.489 42.059 -0.004 0.000 1.298 81 L HN 0.876 nan 8.230 nan 0.000 0.420 82 S N 1.435 117.274 115.700 0.230 0.000 2.548 82 S HA 0.897 5.367 4.470 -0.000 0.000 0.286 82 S C -0.787 173.875 174.600 0.103 0.000 1.098 82 S CA -0.779 57.549 58.200 0.212 0.000 0.930 82 S CB 2.231 65.718 63.200 0.478 0.000 1.070 82 S HN 0.692 nan 8.310 nan 0.000 0.480 83 A N 1.294 124.102 122.820 -0.019 0.000 2.331 83 A HA 0.869 5.189 4.320 -0.000 0.000 0.320 83 A C -0.166 177.325 177.584 -0.155 0.000 1.138 83 A CA -0.721 51.272 52.037 -0.074 0.000 0.790 83 A CB 1.510 20.471 19.000 -0.064 0.000 1.206 83 A HN 1.077 nan 8.150 nan 0.000 0.470 84 S N 0.851 116.440 115.700 -0.186 0.000 2.570 84 S HA 0.519 4.989 4.470 -0.000 0.000 0.286 84 S C -0.275 174.351 174.600 0.043 0.000 1.099 84 S CA -0.487 57.593 58.200 -0.199 0.000 0.913 84 S CB 0.465 63.300 63.200 -0.608 0.000 1.085 84 S HN 0.623 nan 8.310 nan 0.000 0.480 85 W N 1.909 123.038 121.300 -0.285 0.000 2.538 85 W HA 0.037 4.697 4.660 -0.000 0.000 0.254 85 W C 1.510 177.887 176.519 -0.237 0.000 1.249 85 W CA 0.721 57.832 57.345 -0.391 0.000 1.253 85 W CB -0.654 28.317 29.460 -0.815 0.000 1.130 85 W HN 0.846 nan 8.180 nan 0.000 0.618 86 D N -0.179 120.316 120.400 0.158 0.000 2.352 86 D HA -0.107 4.533 4.640 -0.000 0.000 0.232 86 D C 0.730 177.114 176.300 0.140 0.000 1.055 86 D CA 0.495 54.615 54.000 0.200 0.000 0.891 86 D CB -0.594 40.364 40.800 0.264 0.000 0.897 86 D HN 0.182 nan 8.370 nan 0.000 0.529 87 K N -1.817 118.633 120.400 0.084 0.000 3.509 87 K HA -0.150 4.170 4.320 -0.000 0.000 0.302 87 K C 0.063 176.754 176.600 0.152 0.000 1.355 87 K CA 1.281 57.621 56.287 0.089 0.000 0.953 87 K CB -2.464 30.093 32.500 0.096 0.000 1.321 87 K HN 0.563 nan 8.250 nan 0.000 0.461 88 T N -1.486 113.161 114.554 0.155 0.000 2.916 88 T HA 0.773 5.122 4.350 -0.000 0.000 0.292 88 T C -0.395 174.407 174.700 0.169 0.000 1.064 88 T CA -1.128 61.074 62.100 0.170 0.000 1.011 88 T CB 2.055 71.033 68.868 0.183 0.000 1.152 88 T HN 0.056 nan 8.240 nan 0.000 0.510 89 L N 0.489 121.766 121.223 0.089 0.000 2.319 89 L HA 0.762 5.102 4.340 -0.000 0.000 0.267 89 L C 0.340 177.307 176.870 0.162 0.000 1.011 89 L CA -0.927 53.936 54.840 0.038 0.000 0.818 89 L CB 1.908 43.733 42.059 -0.390 0.000 1.316 89 L HN 0.656 nan 8.230 nan 0.000 0.432 90 R N 0.964 121.560 120.500 0.161 0.000 2.686 90 R HA 0.676 5.016 4.340 -0.000 0.000 0.283 90 R C -1.649 174.640 176.300 -0.018 0.000 0.978 90 R CA -0.974 55.110 56.100 -0.026 0.000 0.897 90 R CB 2.364 32.377 30.300 -0.477 0.000 1.192 90 R HN 0.354 nan 8.270 nan 0.000 0.457 91 L N 2.814 124.049 121.223 0.020 0.000 2.272 91 L HA 0.519 4.859 4.340 -0.000 0.000 0.289 91 L C -1.627 175.279 176.870 0.059 0.000 1.032 91 L CA -0.216 54.720 54.840 0.160 0.000 0.810 91 L CB 0.647 42.894 42.059 0.314 0.000 1.205 91 L HN 0.505 nan 8.230 nan 0.000 0.422 92 W N 3.044 124.512 121.300 0.280 0.000 2.639 92 W HA 0.403 5.063 4.660 0.000 0.000 0.347 92 W C -0.205 176.537 176.519 0.372 0.000 1.067 92 W CA -0.574 56.944 57.345 0.288 0.000 1.218 92 W CB 0.856 30.522 29.460 0.344 0.000 1.393 92 W HN 0.446 nan 8.180 nan 0.000 0.557 93 D N 1.359 122.018 120.400 0.430 0.000 2.339 93 D HA 0.090 4.730 4.640 -0.000 0.000 0.241 93 D C 0.883 177.328 176.300 0.242 0.000 1.183 93 D CA 0.041 54.185 54.000 0.239 0.000 0.859 93 D CB 1.819 42.617 40.800 -0.004 0.000 1.067 93 D HN 0.218 nan 8.370 nan 0.000 0.484 94 V N 4.574 124.595 119.914 0.178 0.000 2.392 94 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 94 V C 2.483 178.656 176.094 0.132 0.000 1.059 94 V CA 2.168 64.626 62.300 0.262 0.000 1.051 94 V CB -0.666 31.233 31.823 0.127 0.000 0.658 94 V HN 0.717 nan 8.190 nan 0.000 0.455 95 A N 0.449 123.280 122.820 0.018 0.000 1.933 95 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 95 A C 2.397 179.944 177.584 -0.061 0.000 1.175 95 A CA 2.492 54.518 52.037 -0.019 0.000 0.628 95 A CB -0.593 18.391 19.000 -0.027 0.000 0.814 95 A HN 0.645 nan 8.150 nan 0.000 0.444 96 T N -6.112 108.396 114.554 -0.077 0.000 2.969 96 T HA 0.428 4.778 4.350 -0.000 0.000 0.250 96 T C 1.410 175.977 174.700 -0.221 0.000 1.021 96 T CA 1.105 63.129 62.100 -0.126 0.000 1.003 96 T CB 0.342 69.149 68.868 -0.101 0.000 1.040 96 T HN 1.720 nan 8.240 nan 0.000 0.492 97 G N 2.326 110.959 108.800 -0.277 0.000 2.143 97 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.249 97 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.249 97 G C -0.193 174.679 174.900 -0.045 0.000 0.981 97 G CA 0.256 45.000 45.100 -0.593 0.000 0.665 97 G HN 1.053 nan 8.290 nan 0.000 0.528 98 E N 0.248 120.454 120.200 0.011 0.000 2.283 98 E HA 0.618 4.968 4.350 -0.000 0.000 0.271 98 E C -0.427 176.141 176.600 -0.053 0.000 1.031 98 E CA -0.543 55.842 56.400 -0.025 0.000 0.868 98 E CB 1.083 30.654 29.700 -0.215 0.000 1.094 98 E HN 0.014 nan 8.360 nan 0.000 0.401 99 T N 2.864 117.262 114.554 -0.260 0.000 2.761 99 T HA 0.075 4.425 4.350 -0.000 0.000 0.296 99 T C -0.071 174.452 174.700 -0.295 0.000 0.934 99 T CA -0.110 61.672 62.100 -0.530 0.000 1.091 99 T CB 0.072 68.479 68.868 -0.769 0.000 0.896 99 T HN 0.471 nan 8.240 nan 0.000 0.515 100 Y N 1.693 121.928 120.300 -0.109 0.000 2.448 100 Y HA 0.142 4.693 4.550 0.000 0.000 0.289 100 Y C 1.432 177.267 175.900 -0.108 0.000 1.114 100 Y CA -0.231 57.843 58.100 -0.043 0.000 1.235 100 Y CB 0.705 39.202 38.460 0.062 0.000 1.045 100 Y HN 0.427 nan 8.280 nan 0.000 0.554 101 Q N -0.131 119.668 119.800 -0.002 0.000 2.352 101 Q HA 0.360 4.700 4.340 -0.000 0.000 0.270 101 Q C -1.580 174.313 176.000 -0.178 0.000 1.006 101 Q CA -0.539 55.185 55.803 -0.132 0.000 0.880 101 Q CB 1.373 30.001 28.738 -0.184 0.000 1.392 101 Q HN 0.060 nan 8.270 nan 0.000 0.401 102 R N 2.280 122.622 120.500 -0.264 0.000 2.604 102 R HA 0.612 4.952 4.340 -0.000 0.000 0.287 102 R C -0.774 175.328 176.300 -0.331 0.000 0.970 102 R CA -0.484 55.516 56.100 -0.167 0.000 0.946 102 R CB 1.239 31.459 30.300 -0.133 0.000 1.127 102 R HN 0.520 nan 8.270 nan 0.000 0.473 103 F N 1.838 121.627 119.950 -0.268 0.000 2.366 103 F HA 0.316 4.843 4.527 -0.000 0.000 0.366 103 F C -0.275 175.346 175.800 -0.299 0.000 1.096 103 F CA -0.945 56.758 58.000 -0.495 0.000 1.060 103 F CB 1.486 39.798 39.000 -1.147 0.000 1.282 103 F HN 0.036 nan 8.300 nan 0.000 0.450 104 V N 2.114 122.106 119.914 0.131 0.000 2.483 104 V HA 0.826 4.946 4.120 -0.000 0.000 0.295 104 V C 0.516 176.857 176.094 0.412 0.000 1.035 104 V CA -0.126 62.306 62.300 0.221 0.000 0.896 104 V CB 1.235 33.130 31.823 0.120 0.000 0.986 104 V HN 0.970 nan 8.190 nan 0.000 0.447 105 G N 1.994 110.993 108.800 0.333 0.000 3.751 105 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.216 105 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.216 105 G C 0.137 175.074 174.900 0.062 0.000 0.911 105 G CA -0.500 44.706 45.100 0.176 0.000 0.869 105 G HN 0.588 nan 8.290 nan 0.000 0.462 106 H N 1.167 120.373 119.070 0.226 0.000 2.707 106 H HA 0.354 4.910 4.556 0.000 0.000 0.359 106 H C 0.644 176.006 175.328 0.057 0.000 1.113 106 H CA 0.267 56.384 56.048 0.116 0.000 1.422 106 H CB 1.570 31.399 29.762 0.110 0.000 1.443 106 H HN -0.018 nan 8.280 nan 0.000 0.591 107 K N 0.750 121.251 120.400 0.168 0.000 2.374 107 K HA 0.132 4.452 4.320 -0.000 0.000 0.196 107 K C 0.555 177.174 176.600 0.032 0.000 1.023 107 K CA 0.088 56.423 56.287 0.080 0.000 1.103 107 K CB 0.760 33.294 32.500 0.057 0.000 0.848 107 K HN 0.333 nan 8.250 nan 0.000 0.528 108 S N 0.021 115.720 115.700 -0.001 0.000 2.790 108 S HA 0.205 4.675 4.470 -0.000 0.000 0.292 108 S C -1.691 172.783 174.600 -0.210 0.000 1.197 108 S CA -0.738 57.388 58.200 -0.124 0.000 0.851 108 S CB 0.769 63.851 63.200 -0.197 0.000 1.217 108 S HN 0.033 nan 8.310 nan 0.000 0.526 109 D N 1.775 121.943 120.400 -0.387 0.000 2.533 109 D HA 0.202 4.842 4.640 -0.000 0.000 0.236 109 D C 0.318 176.347 176.300 -0.451 0.000 1.137 109 D CA 0.438 54.143 54.000 -0.493 0.000 0.867 109 D CB 0.244 40.453 40.800 -0.984 0.000 1.170 109 D HN 0.275 nan 8.370 nan 0.000 0.474 113 V N 2.787 122.688 119.914 -0.023 0.000 3.012 113 V HA 0.880 5.000 4.120 -0.000 0.000 0.307 113 V C -1.848 174.240 176.094 -0.010 0.000 1.166 113 V CA -0.239 62.040 62.300 -0.036 0.000 0.974 113 V CB 2.199 33.971 31.823 -0.086 0.000 1.040 113 V HN 1.037 nan 8.190 nan 0.000 0.428 114 D N 2.874 123.272 120.400 -0.003 0.000 2.615 114 D HA 0.592 5.232 4.640 -0.000 0.000 0.267 114 D C -1.662 174.652 176.300 0.022 0.000 1.236 114 D CA -0.170 53.842 54.000 0.021 0.000 0.839 114 D CB 2.447 43.274 40.800 0.046 0.000 1.380 114 D HN 0.770 nan 8.370 nan 0.000 0.433 115 I N 1.120 121.714 120.570 0.040 0.000 2.802 115 I HA 0.288 4.458 4.170 -0.000 0.000 0.298 115 I C -0.863 175.291 176.117 0.062 0.000 1.176 115 I CA -0.786 60.542 61.300 0.047 0.000 1.025 115 I CB 1.717 39.740 38.000 0.038 0.000 1.243 115 I HN 0.398 nan 8.210 nan 0.000 0.424 116 D N 5.710 126.150 120.400 0.067 0.000 2.369 116 D HA -0.025 4.615 4.640 -0.000 0.000 0.241 116 D C 0.593 176.931 176.300 0.062 0.000 1.271 116 D CA -0.199 53.841 54.000 0.067 0.000 0.942 116 D CB 0.921 41.762 40.800 0.069 0.000 1.129 116 D HN 0.453 nan 8.370 nan 0.000 0.476 117 K N 0.399 120.834 120.400 0.059 0.000 2.057 117 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 117 K C 1.685 178.317 176.600 0.055 0.000 1.049 117 K CA 1.521 57.842 56.287 0.056 0.000 0.931 117 K CB -0.195 32.336 32.500 0.050 0.000 0.714 117 K HN 0.405 nan 8.250 nan 0.000 0.440 118 K N -0.040 120.390 120.400 0.050 0.000 2.515 118 K HA 0.106 4.426 4.320 -0.000 0.000 0.196 118 K C 0.282 176.909 176.600 0.045 0.000 1.038 118 K CA 0.577 56.892 56.287 0.046 0.000 0.967 118 K CB -0.071 32.453 32.500 0.041 0.000 0.780 118 K HN 0.302 nan 8.250 nan 0.000 0.483 119 A N 1.546 124.396 122.820 0.050 0.000 2.687 119 A HA -0.200 4.120 4.320 -0.000 0.000 0.299 119 A C 0.527 178.133 177.584 0.037 0.000 1.497 119 A CA 0.814 52.877 52.037 0.044 0.000 0.751 119 A CB -2.318 16.705 19.000 0.039 0.000 1.048 119 A HN 0.479 nan 8.150 nan 0.000 0.464 123 I N 1.827 122.485 120.570 0.146 0.000 2.646 123 I HA 0.919 5.089 4.170 -0.000 0.000 0.299 123 I C -0.461 175.744 176.117 0.147 0.000 1.036 123 I CA -0.315 61.088 61.300 0.172 0.000 1.074 123 I CB 2.258 40.308 38.000 0.084 0.000 1.258 123 I HN 0.595 nan 8.210 nan 0.000 0.430 124 S N 2.804 118.646 115.700 0.236 0.000 2.569 124 S HA 0.923 5.393 4.470 -0.000 0.000 0.280 124 S C -0.478 174.207 174.600 0.142 0.000 1.111 124 S CA -0.645 57.680 58.200 0.208 0.000 0.887 124 S CB 1.651 65.090 63.200 0.397 0.000 1.095 124 S HN 1.188 nan 8.310 nan 0.000 0.476 125 G N -0.112 108.678 108.800 -0.018 0.000 2.542 125 G HA2 0.667 4.627 3.960 -0.000 0.000 0.311 125 G HA3 0.667 4.627 3.960 -0.000 0.000 0.311 125 G C -1.039 173.683 174.900 -0.295 0.000 1.298 125 G CA -0.639 44.394 45.100 -0.113 0.000 0.973 125 G HN 0.967 nan 8.290 nan 0.000 0.487 126 S N 0.459 115.949 115.700 -0.350 0.000 2.627 126 S HA 0.443 4.912 4.470 -0.000 0.000 0.283 126 S C 0.900 175.311 174.600 -0.316 0.000 1.127 126 S CA -0.776 57.142 58.200 -0.470 0.000 0.863 126 S CB 1.693 64.419 63.200 -0.790 0.000 1.121 126 S HN 0.525 nan 8.310 nan 0.000 0.479 127 R N 0.469 120.692 120.500 -0.462 0.000 2.339 127 R HA 0.023 4.363 4.340 -0.000 0.000 0.199 127 R C 0.422 176.605 176.300 -0.195 0.000 1.018 127 R CA 1.104 56.846 56.100 -0.596 0.000 1.036 127 R CB -0.282 29.191 30.300 -1.379 0.000 0.899 127 R HN 0.698 nan 8.270 nan 0.000 0.473 128 D N 0.209 120.537 120.400 -0.121 0.000 2.336 128 D HA -0.071 4.569 4.640 -0.000 0.000 0.229 128 D C 0.123 176.471 176.300 0.081 0.000 1.061 128 D CA 0.104 54.115 54.000 0.018 0.000 0.875 128 D CB 0.016 40.846 40.800 0.051 0.000 0.904 128 D HN 0.010 nan 8.370 nan 0.000 0.525 129 K N -1.624 118.830 120.400 0.091 0.000 3.553 129 K HA -0.162 4.158 4.320 -0.000 0.000 0.303 129 K C 0.101 176.771 176.600 0.116 0.000 1.327 129 K CA 1.366 57.731 56.287 0.129 0.000 0.983 129 K CB -2.502 30.089 32.500 0.151 0.000 1.275 129 K HN 0.561 nan 8.250 nan 0.000 0.453 130 T N -1.181 113.425 114.554 0.086 0.000 2.940 130 T HA 0.756 5.106 4.350 -0.000 0.000 0.288 130 T C 0.081 174.822 174.700 0.067 0.000 1.033 130 T CA -1.000 61.145 62.100 0.075 0.000 1.033 130 T CB 1.953 70.864 68.868 0.071 0.000 1.079 130 T HN 0.175 nan 8.240 nan 0.000 0.496 131 I N 1.686 122.221 120.570 -0.057 0.000 2.378 131 I HA 0.447 4.617 4.170 -0.000 0.000 0.291 131 I C 0.134 176.165 176.117 -0.143 0.000 0.992 131 I CA -0.921 60.317 61.300 -0.102 0.000 1.154 131 I CB 1.814 39.601 38.000 -0.355 0.000 1.315 131 I HN 0.544 nan 8.210 nan 0.000 0.448 132 K N 4.927 125.312 120.400 -0.026 0.000 2.207 132 K HA 0.703 5.023 4.320 -0.000 0.000 0.255 132 K C -1.235 175.208 176.600 -0.262 0.000 0.941 132 K CA -0.762 55.349 56.287 -0.294 0.000 0.825 132 K CB 2.811 34.992 32.500 -0.532 0.000 1.119 132 K HN 0.266 nan 8.250 nan 0.000 0.430 133 V N 2.515 122.131 119.914 -0.497 0.000 2.459 133 V HA 0.468 4.588 4.120 -0.000 0.000 0.295 133 V C -1.171 174.725 176.094 -0.329 0.000 1.029 133 V CA -0.859 61.296 62.300 -0.241 0.000 0.874 133 V CB 0.570 32.272 31.823 -0.202 0.000 0.985 133 V HN 0.687 nan 8.190 nan 0.000 0.438 134 W N 1.476 122.798 121.300 0.037 0.000 2.882 134 W HA 0.684 5.344 4.660 -0.000 0.000 0.345 134 W C 0.445 177.047 176.519 0.138 0.000 1.125 134 W CA -0.887 56.530 57.345 0.120 0.000 1.167 134 W CB 1.096 30.738 29.460 0.302 0.000 1.431 134 W HN 0.629 nan 8.180 nan 0.000 0.543 135 T N -0.912 113.864 114.554 0.369 0.000 2.882 135 T HA 0.238 4.588 4.350 -0.000 0.000 0.287 135 T C 1.010 175.896 174.700 0.310 0.000 1.014 135 T CA -0.567 61.680 62.100 0.246 0.000 1.049 135 T CB 0.740 69.689 68.868 0.136 0.000 1.001 135 T HN 0.593 nan 8.240 nan 0.000 0.525 136 I N -1.686 119.002 120.570 0.196 0.000 3.083 136 I HA 0.062 4.232 4.170 -0.000 0.000 0.273 136 I C 1.165 177.342 176.117 0.099 0.000 1.297 136 I CA 0.693 62.107 61.300 0.190 0.000 1.452 136 I CB -0.431 37.603 38.000 0.056 0.000 1.078 136 I HN 0.310 nan 8.210 nan 0.000 0.484 137 K N 1.872 122.282 120.400 0.017 0.000 2.410 137 K HA 0.275 4.595 4.320 -0.000 0.000 0.200 137 K C 1.219 177.668 176.600 -0.253 0.000 1.023 137 K CA 0.557 56.784 56.287 -0.101 0.000 1.149 137 K CB 0.325 32.786 32.500 -0.064 0.000 0.859 137 K HN 0.579 nan 8.250 nan 0.000 0.514 138 G N 1.744 110.295 108.800 -0.416 0.000 2.141 138 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.242 138 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.242 138 G C -0.018 174.826 174.900 -0.092 0.000 0.982 138 G CA 0.168 44.745 45.100 -0.871 0.000 0.662 138 G HN 0.426 nan 8.290 nan 0.000 0.527 139 Q N 0.163 120.021 119.800 0.097 0.000 2.296 139 Q HA 0.483 4.823 4.340 -0.000 0.000 0.257 139 Q C 0.588 176.698 176.000 0.184 0.000 0.942 139 Q CA -0.609 55.271 55.803 0.128 0.000 0.939 139 Q CB 0.752 29.516 28.738 0.044 0.000 1.198 139 Q HN 0.493 nan 8.270 nan 0.000 0.429 140 C N 6.031 125.339 119.300 0.014 0.000 2.627 140 C HA 0.179 4.639 4.460 -0.000 0.000 0.404 140 C C 1.412 176.213 174.990 -0.314 0.000 1.340 140 C CA -0.354 58.382 59.018 -0.471 0.000 1.758 140 C CB -1.095 26.152 27.740 -0.821 0.000 2.501 140 C HN 1.061 nan 8.230 nan 0.000 0.588 141 L N 4.701 125.729 121.223 -0.324 0.000 2.200 141 L HA 0.328 4.668 4.340 -0.000 0.000 0.200 141 L C 1.199 177.876 176.870 -0.323 0.000 1.072 141 L CA 0.845 55.563 54.840 -0.203 0.000 0.787 141 L CB -0.433 41.584 42.059 -0.070 0.000 0.957 141 L HN 0.817 nan 8.230 nan 0.000 0.459 142 A N -1.152 121.348 122.820 -0.533 0.000 2.612 142 A HA 0.660 4.980 4.320 -0.000 0.000 0.293 142 A C -1.025 176.193 177.584 -0.610 0.000 1.075 142 A CA -0.375 51.277 52.037 -0.641 0.000 0.680 142 A CB 1.337 19.598 19.000 -1.232 0.000 1.279 142 A HN -0.075 nan 8.150 nan 0.000 0.411 143 T N 1.987 116.259 114.554 -0.470 0.000 2.809 143 T HA 0.543 4.892 4.350 -0.000 0.000 0.284 143 T C -0.513 174.005 174.700 -0.302 0.000 0.992 143 T CA -0.214 61.663 62.100 -0.371 0.000 0.957 143 T CB 0.509 69.215 68.868 -0.270 0.000 0.942 143 T HN 0.467 nan 8.240 nan 0.000 0.439 144 L N 4.391 125.412 121.223 -0.336 0.000 2.290 144 L HA 0.531 4.871 4.340 -0.000 0.000 0.284 144 L C -0.359 176.397 176.870 -0.190 0.000 1.078 144 L CA -0.713 53.929 54.840 -0.330 0.000 0.815 144 L CB 0.520 42.143 42.059 -0.728 0.000 1.162 144 L HN 0.389 nan 8.230 nan 0.000 0.435 145 L N 2.557 123.801 121.223 0.035 0.000 2.334 145 L HA 0.769 5.109 4.340 -0.000 0.000 0.273 145 L C 0.798 177.876 176.870 0.347 0.000 1.013 145 L CA -0.153 54.772 54.840 0.141 0.000 0.816 145 L CB 1.776 43.888 42.059 0.089 0.000 1.278 145 L HN 0.836 nan 8.230 nan 0.000 0.431 146 G N -0.757 108.229 108.800 0.310 0.000 3.751 146 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.216 146 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.216 146 G C 0.089 175.046 174.900 0.095 0.000 0.911 146 G CA -0.532 44.705 45.100 0.228 0.000 0.869 146 G HN 0.504 nan 8.290 nan 0.000 0.462 147 H N 1.274 120.489 119.070 0.243 0.000 2.582 147 H HA 0.323 4.879 4.556 -0.000 0.000 0.345 147 H C 0.229 175.619 175.328 0.104 0.000 1.104 147 H CA 0.092 56.238 56.048 0.163 0.000 1.390 147 H CB 1.232 31.098 29.762 0.174 0.000 1.461 147 H HN 0.088 nan 8.280 nan 0.000 0.551 148 N N 1.755 120.572 118.700 0.196 0.000 2.235 148 N HA 0.006 4.746 4.740 -0.000 0.000 0.209 148 N C -0.263 175.296 175.510 0.081 0.000 1.122 148 N CA 0.353 53.468 53.050 0.109 0.000 0.845 148 N CB 0.832 39.355 38.487 0.059 0.000 1.004 148 N HN 0.624 nan 8.380 nan 0.000 0.499 149 D N -1.548 118.921 120.400 0.115 0.000 2.838 149 D HA 0.143 4.783 4.640 -0.000 0.000 0.334 149 D C -0.800 175.585 176.300 0.141 0.000 1.315 149 D CA -0.482 53.538 54.000 0.034 0.000 0.917 149 D CB 0.661 41.415 40.800 -0.077 0.000 1.435 149 D HN -0.249 nan 8.370 nan 0.000 0.517 150 W N 0.950 122.218 121.300 -0.054 0.000 2.314 150 W HA 0.207 4.867 4.660 -0.000 0.000 0.339 150 W C 0.186 176.606 176.519 -0.166 0.000 1.293 150 W CA -0.518 56.761 57.345 -0.109 0.000 1.288 150 W CB -0.439 28.946 29.460 -0.126 0.000 1.186 150 W HN -0.075 nan 8.180 nan 0.000 0.566 151 V N 4.132 124.049 119.914 0.005 0.000 2.432 151 V HA 0.051 4.171 4.120 -0.000 0.000 0.271 151 V C 1.096 177.130 176.094 -0.100 0.000 1.046 151 V CA 0.125 62.322 62.300 -0.172 0.000 0.945 151 V CB 0.878 32.580 31.823 -0.202 0.000 0.992 151 V HN 0.683 nan 8.190 nan 0.000 0.471 152 S N 3.040 118.695 115.700 -0.075 0.000 2.483 152 S HA 0.193 4.662 4.470 -0.000 0.000 0.221 152 S C 0.463 175.047 174.600 -0.026 0.000 1.030 152 S CA -0.064 58.121 58.200 -0.025 0.000 0.925 152 S CB 0.276 63.487 63.200 0.019 0.000 0.795 152 S HN 0.728 nan 8.310 nan 0.000 0.511 153 Q N 0.220 120.002 119.800 -0.030 0.000 2.403 153 Q HA 0.522 4.862 4.340 -0.000 0.000 0.267 153 Q C -2.061 173.949 176.000 0.016 0.000 0.991 153 Q CA -0.709 55.094 55.803 -0.000 0.000 0.906 153 Q CB 2.482 31.234 28.738 0.024 0.000 1.422 153 Q HN 0.369 nan 8.270 nan 0.000 0.400 154 V N 0.362 120.292 119.914 0.026 0.000 2.789 154 V HA 0.867 4.987 4.120 -0.000 0.000 0.311 154 V C -1.158 174.974 176.094 0.063 0.000 1.073 154 V CA -0.766 61.564 62.300 0.051 0.000 0.921 154 V CB 2.021 33.858 31.823 0.024 0.000 1.009 154 V HN 0.705 nan 8.190 nan 0.000 0.426 155 R N 2.392 122.944 120.500 0.088 0.000 2.698 155 R HA 0.664 5.004 4.340 -0.000 0.000 0.275 155 R C -1.374 174.987 176.300 0.101 0.000 1.001 155 R CA -0.767 55.387 56.100 0.091 0.000 0.896 155 R CB 2.337 32.697 30.300 0.100 0.000 1.218 155 R HN 0.709 nan 8.270 nan 0.000 0.462 156 V N 2.629 122.599 119.914 0.093 0.000 2.461 156 V HA 0.171 4.290 4.120 -0.000 0.000 0.275 156 V C 0.457 176.606 176.094 0.092 0.000 1.047 156 V CA -0.654 61.703 62.300 0.095 0.000 0.955 156 V CB 1.518 33.391 31.823 0.084 0.000 0.988 156 V HN 0.379 nan 8.190 nan 0.000 0.471 157 V N 8.192 128.162 119.914 0.094 0.000 2.508 157 V HA 0.194 4.314 4.120 -0.000 0.000 0.281 157 V C -1.901 174.231 176.094 0.064 0.000 1.041 157 V CA -1.369 60.978 62.300 0.079 0.000 1.016 157 V CB 0.857 32.727 31.823 0.079 0.000 0.984 157 V HN 0.797 nan 8.190 nan 0.000 0.478 158 P HA 0.201 nan 4.420 nan 0.000 0.269 158 P C -0.723 176.596 177.300 0.032 0.000 1.209 158 P CA -0.044 63.080 63.100 0.040 0.000 0.776 158 P CB 0.496 32.212 31.700 0.027 0.000 0.876 167 V N 2.831 122.776 119.914 0.051 0.000 2.495 167 V HA 0.757 4.876 4.120 -0.000 0.000 0.298 167 V C 0.057 176.208 176.094 0.096 0.000 1.031 167 V CA -0.325 62.019 62.300 0.073 0.000 0.871 167 V CB 2.027 33.900 31.823 0.083 0.000 0.988 167 V HN 0.962 nan 8.190 nan 0.000 0.432 168 T N 6.096 120.712 114.554 0.104 0.000 2.829 168 T HA 0.737 5.087 4.350 -0.000 0.000 0.280 168 T C -0.346 174.446 174.700 0.153 0.000 0.999 168 T CA -0.226 61.955 62.100 0.135 0.000 0.983 168 T CB 1.313 70.250 68.868 0.115 0.000 0.968 168 T HN 0.689 nan 8.240 nan 0.000 0.446 169 I N 1.106 121.803 120.570 0.212 0.000 2.892 169 I HA 0.833 5.003 4.170 -0.000 0.000 0.306 169 I C -1.003 175.299 176.117 0.309 0.000 1.078 169 I CA -1.649 59.779 61.300 0.214 0.000 1.032 169 I CB 2.070 40.169 38.000 0.165 0.000 1.229 169 I HN 0.707 nan 8.210 nan 0.000 0.435 170 I N 1.408 122.130 120.570 0.253 0.000 2.730 170 I HA 0.839 5.009 4.170 -0.000 0.000 0.298 170 I C -0.658 175.621 176.117 0.269 0.000 1.089 170 I CA -0.517 60.947 61.300 0.273 0.000 1.041 170 I CB 2.204 40.284 38.000 0.133 0.000 1.235 170 I HN 0.827 nan 8.210 nan 0.000 0.423 171 S N 3.349 119.263 115.700 0.357 0.000 2.564 171 S HA 0.972 5.441 4.470 -0.000 0.000 0.274 171 S C -0.768 174.004 174.600 0.286 0.000 1.124 171 S CA -0.592 57.803 58.200 0.324 0.000 0.869 171 S CB 1.970 65.470 63.200 0.500 0.000 1.105 171 S HN 1.320 nan 8.310 nan 0.000 0.472 172 A N 0.549 123.440 122.820 0.118 0.000 2.498 172 A HA 1.042 5.362 4.320 -0.000 0.000 0.298 172 A C 0.045 177.573 177.584 -0.094 0.000 1.075 172 A CA -0.427 51.657 52.037 0.077 0.000 0.714 172 A CB 1.425 20.444 19.000 0.032 0.000 1.299 172 A HN 1.823 nan 8.150 nan 0.000 0.407 173 G N -0.542 108.224 108.800 -0.056 0.000 2.749 173 G HA2 0.454 4.414 3.960 -0.000 0.000 0.300 173 G HA3 0.454 4.414 3.960 -0.000 0.000 0.300 173 G C -0.651 174.249 174.900 -0.001 0.000 1.352 173 G CA -0.499 44.543 45.100 -0.097 0.000 0.789 173 G HN 0.448 nan 8.290 nan 0.000 0.509 174 N N 0.647 119.349 118.700 0.003 0.000 2.434 174 N HA 0.065 4.805 4.740 -0.000 0.000 0.196 174 N C 0.701 176.195 175.510 -0.027 0.000 1.183 174 N CA 0.578 53.606 53.050 -0.037 0.000 0.849 174 N CB 0.417 38.826 38.487 -0.131 0.000 0.992 174 N HN 0.606 nan 8.380 nan 0.000 0.460 175 D N -0.439 119.989 120.400 0.047 0.000 2.342 175 D HA 0.085 4.725 4.640 -0.000 0.000 0.221 175 D C 0.022 176.370 176.300 0.081 0.000 1.101 175 D CA -0.204 53.836 54.000 0.067 0.000 0.837 175 D CB 0.263 41.138 40.800 0.124 0.000 0.938 175 D HN -0.232 nan 8.370 nan 0.000 0.508 179 K N 2.712 123.175 120.400 0.106 0.000 2.371 179 K HA 0.911 5.231 4.320 -0.000 0.000 0.251 179 K C -0.479 176.142 176.600 0.035 0.000 0.934 179 K CA -0.518 55.737 56.287 -0.052 0.000 0.798 179 K CB 2.756 35.077 32.500 -0.299 0.000 1.204 179 K HN 0.888 nan 8.250 nan 0.000 0.427 180 A N 2.360 125.141 122.820 -0.065 0.000 2.317 180 A HA 0.700 5.020 4.320 -0.000 0.000 0.327 180 A C -1.701 175.795 177.584 -0.146 0.000 1.178 180 A CA -0.598 51.478 52.037 0.066 0.000 0.817 180 A CB 0.319 19.432 19.000 0.188 0.000 1.189 180 A HN 0.655 nan 8.150 nan 0.000 0.489 181 W N 0.987 122.335 121.300 0.080 0.000 2.819 181 W HA 0.475 5.135 4.660 -0.001 0.000 0.337 181 W C -0.013 176.551 176.519 0.076 0.000 1.077 181 W CA -0.790 56.598 57.345 0.073 0.000 1.226 181 W CB 1.299 30.814 29.460 0.091 0.000 1.419 181 W HN 0.644 nan 8.180 nan 0.000 0.502 182 N N 2.920 121.786 118.700 0.277 0.000 2.420 182 N HA 0.169 4.909 4.740 -0.000 0.000 0.249 182 N C 0.494 176.120 175.510 0.194 0.000 1.033 182 N CA -0.021 53.136 53.050 0.178 0.000 0.944 182 N CB 0.931 39.474 38.487 0.093 0.000 1.113 182 N HN 0.628 nan 8.380 nan 0.000 0.502 183 L N 3.110 124.438 121.223 0.174 0.000 2.376 183 L HA -0.040 4.300 4.340 -0.000 0.000 0.219 183 L C 1.261 178.087 176.870 -0.074 0.000 1.133 183 L CA 0.726 55.676 54.840 0.183 0.000 0.816 183 L CB -0.160 42.015 42.059 0.193 0.000 0.933 183 L HN 0.590 nan 8.230 nan 0.000 0.449 184 N N -0.751 117.898 118.700 -0.086 0.000 2.512 184 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 184 N C 1.201 176.551 175.510 -0.267 0.000 1.073 184 N CA 0.393 53.332 53.050 -0.185 0.000 0.911 184 N CB 0.278 38.714 38.487 -0.085 0.000 0.964 184 N HN 0.343 nan 8.380 nan 0.000 0.447 185 Q N -0.689 118.998 119.800 -0.189 0.000 2.157 185 Q HA 0.135 4.475 4.340 -0.000 0.000 0.235 185 Q C -0.371 175.633 176.000 0.006 0.000 0.803 185 Q CA -0.167 55.566 55.803 -0.117 0.000 0.967 185 Q CB 0.614 29.346 28.738 -0.010 0.000 1.150 185 Q HN 0.166 nan 8.270 nan 0.000 0.482 186 F N 1.208 121.207 119.950 0.081 0.000 3.100 186 F HA -0.277 4.250 4.527 0.000 0.000 0.283 186 F C 0.111 176.019 175.800 0.181 0.000 0.900 186 F CA 0.913 58.972 58.000 0.098 0.000 1.010 186 F CB -2.274 36.749 39.000 0.039 0.000 1.029 186 F HN 0.114 nan 8.300 nan 0.000 0.637 187 Q N -0.810 119.209 119.800 0.365 0.000 2.423 187 Q HA 0.622 4.962 4.340 -0.000 0.000 0.278 187 Q C -0.251 175.884 176.000 0.225 0.000 1.097 187 Q CA -1.571 54.406 55.803 0.290 0.000 0.809 187 Q CB 2.796 31.616 28.738 0.136 0.000 1.391 187 Q HN 0.122 nan 8.270 nan 0.000 0.428 188 I N 1.409 121.967 120.570 -0.020 0.000 2.815 188 I HA -0.156 4.013 4.170 -0.000 0.000 0.291 188 I C 0.928 176.909 176.117 -0.227 0.000 1.209 188 I CA 1.264 62.310 61.300 -0.425 0.000 1.431 188 I CB 0.540 38.163 38.000 -0.629 0.000 1.351 188 I HN 0.830 nan 8.210 nan 0.000 0.585 189 E N 5.377 125.431 120.200 -0.242 0.000 2.399 189 E HA 0.441 4.791 4.350 -0.000 0.000 0.205 189 E C -0.391 176.085 176.600 -0.207 0.000 0.906 189 E CA 0.296 56.610 56.400 -0.143 0.000 0.998 189 E CB 0.502 30.175 29.700 -0.044 0.000 1.002 189 E HN 0.733 nan 8.360 nan 0.000 0.501 190 A N 0.736 123.372 122.820 -0.307 0.000 2.577 190 A HA 0.425 4.745 4.320 -0.000 0.000 0.297 190 A C -1.916 175.342 177.584 -0.543 0.000 1.060 190 A CA -0.822 50.947 52.037 -0.446 0.000 0.697 190 A CB 1.491 20.166 19.000 -0.542 0.000 1.281 190 A HN 0.078 nan 8.150 nan 0.000 0.402 191 D N 1.204 121.262 120.400 -0.570 0.000 2.303 191 D HA 0.558 5.198 4.640 -0.000 0.000 0.236 191 D C -1.323 174.612 176.300 -0.608 0.000 1.068 191 D CA 0.430 54.148 54.000 -0.470 0.000 0.830 191 D CB 0.873 41.482 40.800 -0.317 0.000 1.109 191 D HN 0.287 nan 8.370 nan 0.000 0.496 192 F N 2.910 122.621 119.950 -0.399 0.000 2.313 192 F HA 0.389 4.916 4.527 -0.000 0.000 0.369 192 F C 0.636 176.181 175.800 -0.425 0.000 1.109 192 F CA -0.635 56.978 58.000 -0.645 0.000 1.132 192 F CB 0.567 38.692 39.000 -1.457 0.000 1.291 192 F HN 0.066 nan 8.300 nan 0.000 0.496 193 I N 2.066 122.659 120.570 0.038 0.000 2.392 193 I HA 0.625 4.795 4.170 -0.000 0.000 0.295 193 I C 0.909 177.249 176.117 0.372 0.000 0.985 193 I CA -0.246 61.149 61.300 0.159 0.000 1.221 193 I CB 1.580 39.624 38.000 0.072 0.000 1.366 193 I HN 0.792 nan 8.210 nan 0.000 0.467 194 G N 3.336 112.324 108.800 0.314 0.000 3.859 194 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.220 194 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.220 194 G C 0.076 175.021 174.900 0.075 0.000 0.892 194 G CA -0.561 44.657 45.100 0.197 0.000 0.858 194 G HN 0.543 nan 8.290 nan 0.000 0.625 195 H N 1.129 120.335 119.070 0.227 0.000 2.610 195 H HA 0.345 4.900 4.556 -0.000 0.000 0.336 195 H C 0.389 175.765 175.328 0.081 0.000 1.087 195 H CA 0.121 56.254 56.048 0.142 0.000 1.405 195 H CB 1.405 31.263 29.762 0.161 0.000 1.460 195 H HN 0.071 nan 8.280 nan 0.000 0.538 196 N N 0.774 119.585 118.700 0.185 0.000 2.205 196 N HA -0.021 4.718 4.740 -0.000 0.000 0.201 196 N C 0.016 175.572 175.510 0.076 0.000 1.128 196 N CA 0.090 53.200 53.050 0.100 0.000 0.867 196 N CB 0.721 39.242 38.487 0.058 0.000 0.996 196 N HN 0.542 nan 8.380 nan 0.000 0.503 197 S N -0.954 114.800 115.700 0.090 0.000 2.697 197 S HA 0.443 4.913 4.470 -0.000 0.000 0.289 197 S C -0.587 174.011 174.600 -0.003 0.000 1.149 197 S CA -0.928 57.290 58.200 0.030 0.000 0.850 197 S CB 1.327 64.534 63.200 0.012 0.000 1.151 197 S HN -0.138 nan 8.310 nan 0.000 0.491 198 N N 0.742 119.423 118.700 -0.031 0.000 2.356 198 N HA 0.222 4.962 4.740 -0.000 0.000 0.252 198 N C -0.700 174.752 175.510 -0.096 0.000 1.241 198 N CA 0.373 53.393 53.050 -0.050 0.000 0.861 198 N CB -0.332 38.133 38.487 -0.036 0.000 1.075 198 N HN 0.597 nan 8.380 nan 0.000 0.461 199 I N 2.234 122.732 120.570 -0.120 0.000 2.312 199 I HA 0.176 4.346 4.170 -0.000 0.000 0.290 199 I C 0.989 177.053 176.117 -0.088 0.000 1.008 199 I CA -0.545 60.641 61.300 -0.189 0.000 1.226 199 I CB 0.947 38.791 38.000 -0.260 0.000 1.371 199 I HN 0.333 nan 8.210 nan 0.000 0.468 200 N N 2.816 121.468 118.700 -0.080 0.000 2.368 200 N HA 0.015 4.755 4.740 -0.000 0.000 0.176 200 N C 0.549 176.063 175.510 0.008 0.000 1.021 200 N CA 0.604 53.649 53.050 -0.010 0.000 0.888 200 N CB 0.494 38.974 38.487 -0.011 0.000 0.995 200 N HN 0.639 nan 8.380 nan 0.000 0.437 201 T N 0.066 114.609 114.554 -0.019 0.000 2.932 201 T HA 0.611 4.961 4.350 -0.000 0.000 0.318 201 T C -1.786 172.923 174.700 0.015 0.000 1.265 201 T CA -0.823 61.283 62.100 0.010 0.000 1.036 201 T CB 0.851 69.731 68.868 0.019 0.000 1.209 201 T HN 0.082 nan 8.240 nan 0.000 0.484 202 L N 1.063 122.312 121.223 0.043 0.000 2.469 202 L HA 1.003 5.343 4.340 -0.000 0.000 0.256 202 L C -1.210 175.716 176.870 0.093 0.000 1.006 202 L CA -0.684 54.199 54.840 0.071 0.000 0.832 202 L CB 2.138 44.244 42.059 0.078 0.000 1.421 202 L HN 0.753 nan 8.230 nan 0.000 0.410 203 T N 0.599 115.233 114.554 0.134 0.000 2.885 203 T HA 0.767 5.117 4.350 -0.000 0.000 0.322 203 T C -1.358 173.528 174.700 0.309 0.000 1.387 203 T CA 0.136 62.353 62.100 0.196 0.000 1.041 203 T CB 1.702 70.685 68.868 0.191 0.000 1.287 203 T HN 1.165 nan 8.240 nan 0.000 0.491 204 A N 2.368 125.351 122.820 0.270 0.000 2.312 204 A HA 0.770 5.090 4.320 -0.000 0.000 0.328 204 A C 0.591 178.259 177.584 0.139 0.000 1.158 204 A CA -0.349 51.807 52.037 0.199 0.000 0.821 204 A CB 0.626 19.686 19.000 0.100 0.000 1.170 204 A HN 1.309 nan 8.150 nan 0.000 0.490 205 S N 1.979 117.525 115.700 -0.257 0.000 2.584 205 S HA 0.247 4.717 4.470 -0.000 0.000 0.270 205 S C -1.945 172.511 174.600 -0.239 0.000 1.346 205 S CA -0.533 57.251 58.200 -0.693 0.000 1.018 205 S CB 0.221 62.869 63.200 -0.920 0.000 0.899 205 S HN 0.447 nan 8.310 nan 0.000 0.542 206 P HA -0.104 nan 4.420 nan 0.000 0.219 206 P C 0.724 177.977 177.300 -0.078 0.000 1.146 206 P CA 1.392 64.439 63.100 -0.087 0.000 0.808 206 P CB -0.150 31.490 31.700 -0.099 0.000 0.779 207 D N -2.073 118.263 120.400 -0.107 0.000 2.340 207 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 207 D C 1.365 177.639 176.300 -0.043 0.000 1.039 207 D CA 0.518 54.481 54.000 -0.062 0.000 0.866 207 D CB -1.060 39.709 40.800 -0.051 0.000 0.913 207 D HN 0.176 nan 8.370 nan 0.000 0.523 208 G N 0.327 109.094 108.800 -0.055 0.000 2.155 208 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.257 208 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.257 208 G C 1.044 175.936 174.900 -0.014 0.000 0.983 208 G CA 1.146 46.234 45.100 -0.021 0.000 0.676 208 G HN 0.621 nan 8.290 nan 0.000 0.528 209 T N -2.334 112.197 114.554 -0.038 0.000 3.037 209 T HA 0.585 4.935 4.350 -0.000 0.000 0.252 209 T C 0.939 175.633 174.700 -0.010 0.000 1.073 209 T CA 0.573 62.666 62.100 -0.010 0.000 1.091 209 T CB 0.415 69.280 68.868 -0.005 0.000 0.935 209 T HN 0.446 nan 8.240 nan 0.000 0.488 210 L N 0.970 122.156 121.223 -0.061 0.000 2.354 210 L HA 0.656 4.996 4.340 -0.000 0.000 0.269 210 L C -0.870 176.024 176.870 0.039 0.000 1.005 210 L CA -1.373 53.451 54.840 -0.027 0.000 0.819 210 L CB 2.441 44.452 42.059 -0.081 0.000 1.311 210 L HN 0.092 nan 8.230 nan 0.000 0.423 211 I N 1.715 122.352 120.570 0.112 0.000 2.433 211 I HA 0.606 4.776 4.170 -0.000 0.000 0.292 211 I C -0.147 176.163 176.117 0.322 0.000 1.001 211 I CA -0.460 60.950 61.300 0.185 0.000 1.119 211 I CB 2.082 40.066 38.000 -0.026 0.000 1.289 211 I HN 0.628 nan 8.210 nan 0.000 0.438 212 A N 4.657 127.674 122.820 0.329 0.000 2.331 212 A HA 0.852 5.172 4.320 -0.000 0.000 0.320 212 A C -0.453 177.233 177.584 0.171 0.000 1.138 212 A CA -0.427 51.714 52.037 0.174 0.000 0.790 212 A CB 1.208 20.181 19.000 -0.045 0.000 1.206 212 A HN 0.707 nan 8.150 nan 0.000 0.470 213 S N 0.510 116.348 115.700 0.229 0.000 2.546 213 S HA 0.947 5.417 4.470 -0.000 0.000 0.274 213 S C -0.579 174.146 174.600 0.209 0.000 1.121 213 S CA -0.102 58.247 58.200 0.248 0.000 0.887 213 S CB 1.746 65.210 63.200 0.441 0.000 1.094 213 S HN 2.405 nan 8.310 nan 0.000 0.474 214 A N 0.587 123.420 122.820 0.023 0.000 2.597 214 A HA 0.990 5.309 4.320 -0.000 0.000 0.292 214 A C -0.059 177.441 177.584 -0.139 0.000 1.057 214 A CA -0.269 51.757 52.037 -0.019 0.000 0.674 214 A CB 0.837 19.826 19.000 -0.020 0.000 1.278 214 A HN 1.973 nan 8.150 nan 0.000 0.416 215 G N -0.032 108.681 108.800 -0.145 0.000 3.008 215 G HA2 0.445 4.405 3.960 -0.000 0.000 0.148 215 G HA3 0.445 4.405 3.960 -0.000 0.000 0.148 215 G C 0.614 175.402 174.900 -0.186 0.000 1.184 215 G CA 0.524 45.517 45.100 -0.178 0.000 1.087 215 G HN 0.902 nan 8.290 nan 0.000 0.602 216 K N 0.714 121.028 120.400 -0.143 0.000 2.074 216 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 216 K C 1.790 178.327 176.600 -0.106 0.000 1.048 216 K CA 2.643 58.852 56.287 -0.131 0.000 0.926 216 K CB -0.340 32.120 32.500 -0.066 0.000 0.713 216 K HN 0.472 nan 8.250 nan 0.000 0.444 217 D N -1.857 118.507 120.400 -0.059 0.000 2.340 217 D HA 0.098 4.738 4.640 -0.000 0.000 0.220 217 D C 1.039 177.315 176.300 -0.041 0.000 1.039 217 D CA 0.724 54.704 54.000 -0.035 0.000 0.866 217 D CB -0.179 40.620 40.800 -0.001 0.000 0.913 217 D HN 0.356 nan 8.370 nan 0.000 0.523 218 G N -0.091 108.667 108.800 -0.070 0.000 2.168 218 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.263 218 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.263 218 G C -0.093 174.787 174.900 -0.033 0.000 0.977 218 G CA 0.078 45.138 45.100 -0.067 0.000 0.659 218 G HN 0.382 nan 8.290 nan 0.000 0.533 219 E N 0.488 120.684 120.200 -0.007 0.000 2.129 219 E HA 0.468 4.818 4.350 -0.000 0.000 0.283 219 E C 1.104 177.709 176.600 0.009 0.000 1.080 219 E CA -0.074 56.319 56.400 -0.011 0.000 0.867 219 E CB 0.813 30.511 29.700 -0.004 0.000 1.056 219 E HN 0.531 nan 8.360 nan 0.000 0.404 223 W N 2.344 123.505 121.300 -0.231 0.000 2.666 223 W HA 0.479 5.139 4.660 0.000 0.000 0.334 223 W C 0.633 177.083 176.519 -0.114 0.000 1.051 223 W CA -0.454 56.779 57.345 -0.186 0.000 1.224 223 W CB 1.022 30.229 29.460 -0.421 0.000 1.405 223 W HN 0.420 nan 8.180 nan 0.000 0.513 224 N N 3.099 121.931 118.700 0.219 0.000 2.402 224 N HA 0.014 4.754 4.740 -0.000 0.000 0.252 224 N C 0.509 176.173 175.510 0.257 0.000 1.118 224 N CA -0.097 53.057 53.050 0.174 0.000 0.945 224 N CB 1.029 39.598 38.487 0.137 0.000 1.147 224 N HN 0.599 nan 8.380 nan 0.000 0.495 225 L N 5.469 126.799 121.223 0.179 0.000 2.017 225 L HA -0.018 4.321 4.340 -0.000 0.000 0.208 225 L C 2.020 179.027 176.870 0.227 0.000 1.073 225 L CA 2.123 57.102 54.840 0.232 0.000 0.745 225 L CB -0.954 41.174 42.059 0.116 0.000 0.894 225 L HN 0.649 nan 8.230 nan 0.000 0.432 226 A N -0.705 122.197 122.820 0.136 0.000 1.930 226 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 226 A C 2.299 179.934 177.584 0.086 0.000 1.175 226 A CA 1.557 53.650 52.037 0.093 0.000 0.627 226 A CB -1.028 18.010 19.000 0.064 0.000 0.815 226 A HN 0.555 nan 8.150 nan 0.000 0.443 227 A N -1.127 121.757 122.820 0.106 0.000 2.208 227 A HA 0.224 4.544 4.320 -0.000 0.000 0.209 227 A C 0.987 178.624 177.584 0.089 0.000 1.161 227 A CA 0.749 52.837 52.037 0.085 0.000 0.782 227 A CB -0.430 18.622 19.000 0.087 0.000 0.816 227 A HN 0.490 nan 8.150 nan 0.000 0.477 228 K N -0.693 119.796 120.400 0.149 0.000 3.148 228 K HA -0.182 4.138 4.320 -0.000 0.000 0.267 228 K C -0.736 175.925 176.600 0.102 0.000 0.996 228 K CA 1.125 57.433 56.287 0.036 0.000 0.737 228 K CB -1.402 30.981 32.500 -0.195 0.000 1.308 228 K HN 0.575 nan 8.250 nan 0.000 0.470 229 K N -0.412 120.191 120.400 0.339 0.000 2.498 229 K HA 0.566 4.886 4.320 -0.000 0.000 0.254 229 K C -0.103 176.751 176.600 0.423 0.000 0.933 229 K CA -0.343 56.128 56.287 0.307 0.000 0.806 229 K CB 2.046 34.638 32.500 0.154 0.000 1.301 229 K HN 0.201 nan 8.250 nan 0.000 0.432 233 T N 2.773 117.314 114.554 -0.023 0.000 2.841 233 T HA 0.682 5.031 4.350 -0.000 0.000 0.283 233 T C -0.948 173.728 174.700 -0.040 0.000 1.000 233 T CA -0.670 61.346 62.100 -0.140 0.000 0.977 233 T CB 1.302 70.058 68.868 -0.186 0.000 0.979 233 T HN 0.639 nan 8.240 nan 0.000 0.446 234 L N 2.156 123.293 121.223 -0.144 0.000 2.307 234 L HA 0.477 4.817 4.340 -0.000 0.000 0.284 234 L C 0.281 177.034 176.870 -0.195 0.000 1.023 234 L CA -0.760 53.934 54.840 -0.242 0.000 0.810 234 L CB 1.671 43.360 42.059 -0.616 0.000 1.231 234 L HN 0.577 nan 8.230 nan 0.000 0.423 235 S N 1.959 117.609 115.700 -0.083 0.000 2.416 235 S HA 0.312 4.781 4.470 -0.000 0.000 0.287 235 S C 0.803 175.456 174.600 0.088 0.000 1.139 235 S CA -0.406 57.789 58.200 -0.008 0.000 1.058 235 S CB 1.469 64.674 63.200 0.009 0.000 0.967 235 S HN 0.753 nan 8.310 nan 0.000 0.495 236 A N 3.067 125.930 122.820 0.072 0.000 2.267 236 A HA 0.145 4.465 4.320 -0.000 0.000 0.213 236 A C 1.394 179.003 177.584 0.042 0.000 1.192 236 A CA 0.026 52.141 52.037 0.130 0.000 0.851 236 A CB -0.096 18.968 19.000 0.107 0.000 0.881 236 A HN 0.738 nan 8.150 nan 0.000 0.494 237 Q N -0.532 119.278 119.800 0.016 0.000 2.645 237 Q HA -0.189 4.151 4.340 -0.000 0.000 0.188 237 Q C -0.535 175.450 176.000 -0.025 0.000 2.862 237 Q CA 2.227 58.029 55.803 -0.003 0.000 0.227 237 Q CB -1.770 26.970 28.738 0.004 0.000 0.207 237 Q HN 0.715 nan 8.270 nan 0.000 0.418 238 D N 1.223 121.598 120.400 -0.041 0.000 2.326 238 D HA 0.313 4.952 4.640 -0.000 0.000 0.248 238 D C 0.036 176.247 176.300 -0.149 0.000 1.001 238 D CA -0.529 53.426 54.000 -0.074 0.000 0.961 238 D CB 0.818 41.584 40.800 -0.057 0.000 1.183 238 D HN 0.171 nan 8.370 nan 0.000 0.502 239 E N 0.468 120.532 120.200 -0.226 0.000 2.529 239 E HA 0.053 4.403 4.350 -0.000 0.000 0.259 239 E C -0.904 175.318 176.600 -0.629 0.000 0.966 239 E CA -0.022 56.121 56.400 -0.427 0.000 0.937 239 E CB 0.600 29.978 29.700 -0.537 0.000 0.923 239 E HN 0.052 nan 8.360 nan 0.000 0.468 240 V N 6.594 126.195 119.914 -0.522 0.000 2.407 240 V HA 0.106 4.226 4.120 -0.000 0.000 0.278 240 V C 0.171 175.960 176.094 -0.509 0.000 1.037 240 V CA -0.158 61.895 62.300 -0.413 0.000 0.900 240 V CB 0.971 32.684 31.823 -0.185 0.000 0.983 240 V HN 0.690 nan 8.190 nan 0.000 0.459 241 F N 1.756 121.645 119.950 -0.103 0.000 2.678 241 F HA 0.323 4.850 4.527 -0.000 0.000 0.291 241 F C 1.207 176.972 175.800 -0.058 0.000 1.123 241 F CA 0.298 58.250 58.000 -0.080 0.000 1.395 241 F CB 0.569 39.501 39.000 -0.113 0.000 1.121 241 F HN 0.506 nan 8.300 nan 0.000 0.592 242 S N 0.061 115.808 115.700 0.078 0.000 2.533 242 S HA 0.708 5.178 4.470 -0.000 0.000 0.271 242 S C -1.507 173.091 174.600 -0.004 0.000 1.143 242 S CA -0.556 57.665 58.200 0.035 0.000 0.891 242 S CB 0.847 64.061 63.200 0.024 0.000 1.105 242 S HN 0.015 nan 8.310 nan 0.000 0.468 243 L N 2.771 123.992 121.223 -0.003 0.000 2.386 243 L HA 0.928 5.267 4.340 -0.000 0.000 0.271 243 L C -0.501 176.371 176.870 0.002 0.000 0.993 243 L CA -0.771 54.049 54.840 -0.033 0.000 0.819 243 L CB 2.065 44.078 42.059 -0.076 0.000 1.294 243 L HN 0.820 nan 8.230 nan 0.000 0.414 244 A N 2.801 125.639 122.820 0.030 0.000 2.442 244 A HA 0.655 4.975 4.320 -0.000 0.000 0.284 244 A C -1.176 176.611 177.584 0.337 0.000 1.058 244 A CA -0.410 51.752 52.037 0.209 0.000 0.738 244 A CB 0.586 19.749 19.000 0.270 0.000 1.242 244 A HN 0.425 nan 8.150 nan 0.000 0.421 245 F N 1.724 121.846 119.950 0.288 0.000 2.484 245 F HA 0.355 4.882 4.527 -0.000 0.000 0.360 245 F C 1.530 177.299 175.800 -0.053 0.000 1.101 245 F CA 0.904 59.001 58.000 0.162 0.000 1.251 245 F CB 1.284 40.331 39.000 0.078 0.000 1.132 245 F HN 0.581 nan 8.300 nan 0.000 0.570 246 S N 4.938 120.502 115.700 -0.227 0.000 2.568 246 S HA 0.107 4.577 4.470 -0.000 0.000 0.282 246 S C -1.160 173.188 174.600 -0.421 0.000 1.338 246 S CA -1.170 56.458 58.200 -0.954 0.000 1.045 246 S CB 0.713 63.303 63.200 -1.015 0.000 0.873 246 S HN 0.466 nan 8.310 nan 0.000 0.516 247 P HA -0.023 nan 4.420 nan 0.000 0.222 247 P C 0.354 177.507 177.300 -0.246 0.000 1.153 247 P CA 0.996 63.984 63.100 -0.187 0.000 0.798 247 P CB -0.058 31.590 31.700 -0.087 0.000 0.796 248 N N -1.735 116.757 118.700 -0.346 0.000 2.168 248 N HA 0.067 4.807 4.740 -0.000 0.000 0.216 248 N C 0.630 175.853 175.510 -0.477 0.000 1.259 248 N CA -0.066 52.775 53.050 -0.349 0.000 0.902 248 N CB 0.260 38.588 38.487 -0.266 0.000 1.079 248 N HN 0.006 nan 8.380 nan 0.000 0.507 249 R N -0.284 119.860 120.500 -0.594 0.000 2.787 249 R HA 0.330 4.670 4.340 -0.000 0.000 0.271 249 R C -0.802 175.196 176.300 -0.503 0.000 0.993 249 R CA -0.750 54.933 56.100 -0.695 0.000 0.993 249 R CB 1.016 30.579 30.300 -1.227 0.000 1.155 249 R HN -0.009 nan 8.270 nan 0.000 0.486 250 Y N 0.884 121.097 120.300 -0.145 0.000 2.971 250 Y HA 0.070 4.620 4.550 -0.000 0.000 0.384 250 Y C -0.503 175.630 175.900 0.388 0.000 1.166 250 Y CA -0.008 58.153 58.100 0.102 0.000 1.973 250 Y CB -0.108 38.420 38.460 0.112 0.000 2.082 250 Y HN 0.238 nan 8.280 nan 0.000 0.420 251 W N 1.256 122.608 121.300 0.087 0.000 2.706 251 W HA 0.606 5.266 4.660 -0.000 0.000 0.346 251 W C -1.251 175.371 176.519 0.171 0.000 1.071 251 W CA -1.874 55.520 57.345 0.082 0.000 1.206 251 W CB 1.537 30.973 29.460 -0.041 0.000 1.413 251 W HN -0.152 nan 8.180 nan 0.000 0.542 252 L N 2.715 124.161 121.223 0.373 0.000 2.404 252 L HA 0.806 5.146 4.340 -0.000 0.000 0.272 252 L C -0.585 176.430 176.870 0.242 0.000 0.980 252 L CA -0.636 54.314 54.840 0.183 0.000 0.836 252 L CB 0.999 43.034 42.059 -0.039 0.000 1.238 252 L HN 0.427 nan 8.230 nan 0.000 0.408 253 A N 4.274 127.261 122.820 0.279 0.000 2.309 253 A HA 0.912 5.232 4.320 -0.000 0.000 0.298 253 A C -0.376 177.235 177.584 0.044 0.000 1.165 253 A CA 0.059 52.182 52.037 0.143 0.000 0.821 253 A CB 0.911 19.960 19.000 0.081 0.000 1.102 253 A HN 1.212 nan 8.150 nan 0.000 0.500 254 A N 1.749 124.574 122.820 0.008 0.000 2.357 254 A HA 0.690 5.010 4.320 -0.000 0.000 0.295 254 A C 0.088 177.634 177.584 -0.063 0.000 1.121 254 A CA 0.085 52.122 52.037 0.001 0.000 0.742 254 A CB 0.667 19.727 19.000 0.099 0.000 1.181 254 A HN 2.071 nan 8.150 nan 0.000 0.454 255 A N 2.685 125.464 122.820 -0.069 0.000 2.396 255 A HA 0.623 4.943 4.320 -0.000 0.000 0.279 255 A C 0.714 178.290 177.584 -0.013 0.000 1.165 255 A CA 0.582 52.574 52.037 -0.075 0.000 0.824 255 A CB -0.365 18.586 19.000 -0.080 0.000 1.100 255 A HN 1.663 nan 8.150 nan 0.000 0.516 256 T N -1.128 113.406 114.554 -0.033 0.000 2.910 256 T HA 0.619 4.969 4.350 -0.000 0.000 0.287 256 T C 1.034 175.724 174.700 -0.017 0.000 1.050 256 T CA 0.017 62.085 62.100 -0.054 0.000 1.011 256 T CB 1.473 70.293 68.868 -0.080 0.000 1.195 256 T HN 1.126 nan 8.240 nan 0.000 0.540 257 A N 0.400 123.178 122.820 -0.071 0.000 2.121 257 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 257 A C 2.093 179.703 177.584 0.043 0.000 1.154 257 A CA 1.827 53.785 52.037 -0.131 0.000 0.679 257 A CB -1.228 17.729 19.000 -0.072 0.000 0.795 257 A HN 1.164 nan 8.150 nan 0.000 0.458 258 T N -5.395 109.180 114.554 0.034 0.000 3.040 258 T HA 0.519 4.869 4.350 -0.000 0.000 0.266 258 T C 0.623 175.364 174.700 0.068 0.000 1.005 258 T CA 0.776 62.915 62.100 0.065 0.000 0.906 258 T CB 0.531 69.419 68.868 0.033 0.000 1.082 258 T HN 1.478 nan 8.240 nan 0.000 0.531 259 G N 0.848 109.673 108.800 0.041 0.000 2.337 259 G HA2 0.383 4.343 3.960 -0.000 0.000 0.298 259 G HA3 0.383 4.343 3.960 -0.000 0.000 0.298 259 G C -1.953 172.896 174.900 -0.085 0.000 1.335 259 G CA -1.104 44.003 45.100 0.011 0.000 0.875 259 G HN 0.324 nan 8.290 nan 0.000 0.579 260 I N 1.343 121.804 120.570 -0.180 0.000 2.306 260 I HA 0.281 4.451 4.170 -0.000 0.000 0.288 260 I C 0.349 176.278 176.117 -0.312 0.000 1.036 260 I CA -0.455 60.684 61.300 -0.269 0.000 1.221 260 I CB 1.254 38.999 38.000 -0.425 0.000 1.385 260 I HN 0.162 nan 8.210 nan 0.000 0.472 261 K N 5.520 125.758 120.400 -0.270 0.000 2.312 261 K HA 0.408 4.728 4.320 -0.000 0.000 0.287 261 K C -0.725 175.599 176.600 -0.461 0.000 1.062 261 K CA -0.434 55.597 56.287 -0.426 0.000 0.934 261 K CB 1.687 33.905 32.500 -0.470 0.000 1.027 261 K HN 0.320 nan 8.250 nan 0.000 0.478 262 V N 5.662 125.252 119.914 -0.539 0.000 2.311 262 V HA 0.262 4.381 4.120 -0.000 0.000 0.275 262 V C -0.551 175.190 176.094 -0.588 0.000 1.022 262 V CA -0.710 61.340 62.300 -0.417 0.000 0.830 262 V CB -0.107 31.493 31.823 -0.372 0.000 1.012 262 V HN 0.521 nan 8.190 nan 0.000 0.452 263 F N 2.494 122.293 119.950 -0.251 0.000 2.394 263 F HA 0.441 4.968 4.527 -0.000 0.000 0.340 263 F C 0.928 176.506 175.800 -0.370 0.000 1.105 263 F CA -0.014 57.816 58.000 -0.282 0.000 1.124 263 F CB 1.693 40.614 39.000 -0.132 0.000 1.145 263 F HN 0.419 nan 8.300 nan 0.000 0.505 264 S N 3.974 119.424 115.700 -0.417 0.000 2.475 264 S HA 0.402 4.872 4.470 -0.000 0.000 0.281 264 S C 0.764 175.336 174.600 -0.046 0.000 1.198 264 S CA -0.684 57.318 58.200 -0.330 0.000 1.063 264 S CB 0.378 63.026 63.200 -0.921 0.000 0.972 264 S HN 0.698 nan 8.310 nan 0.000 0.486 265 L N 2.945 124.267 121.223 0.166 0.000 2.416 265 L HA 0.357 4.697 4.340 -0.000 0.000 0.216 265 L C 0.257 177.170 176.870 0.072 0.000 1.098 265 L CA 0.254 55.184 54.840 0.149 0.000 0.840 265 L CB -0.018 42.203 42.059 0.272 0.000 0.981 265 L HN 0.565 nan 8.230 nan 0.000 0.462 266 D N 0.376 120.835 120.400 0.099 0.000 2.323 266 D HA 0.298 4.938 4.640 -0.000 0.000 0.242 266 D C -2.465 173.918 176.300 0.139 0.000 1.347 266 D CA -1.314 52.694 54.000 0.014 0.000 0.988 266 D CB 1.587 42.233 40.800 -0.256 0.000 1.314 266 D HN -0.161 nan 8.370 nan 0.000 0.564 267 P HA 0.252 nan 4.420 nan 0.000 0.277 267 P C -0.573 176.839 177.300 0.187 0.000 1.271 267 P CA -0.597 62.600 63.100 0.162 0.000 0.795 267 P CB 0.537 32.350 31.700 0.188 0.000 1.101 268 Q N 1.020 120.884 119.800 0.106 0.000 2.296 268 Q HA 0.278 4.618 4.340 -0.000 0.000 0.263 268 Q C -0.641 175.480 176.000 0.202 0.000 1.026 268 Q CA 0.367 56.206 55.803 0.060 0.000 0.912 268 Q CB 0.003 28.709 28.738 -0.055 0.000 1.198 268 Q HN 0.574 nan 8.270 nan 0.000 0.407 269 Y N -0.848 119.477 120.300 0.041 0.000 2.732 269 Y HA 0.418 4.968 4.550 -0.000 0.000 0.342 269 Y C -1.903 173.989 175.900 -0.013 0.000 1.203 269 Y CA -1.509 56.599 58.100 0.014 0.000 1.092 269 Y CB 0.459 38.912 38.460 -0.012 0.000 1.345 269 Y HN 0.310 nan 8.280 nan 0.000 0.458 270 L N 2.850 124.091 121.223 0.031 0.000 2.325 270 L HA 0.428 4.768 4.340 -0.000 0.000 0.284 270 L C 0.283 177.036 176.870 -0.195 0.000 1.089 270 L CA -0.052 54.652 54.840 -0.226 0.000 0.836 270 L CB 1.018 42.944 42.059 -0.220 0.000 1.184 270 L HN 0.841 nan 8.230 nan 0.000 0.444 271 V N 3.279 122.905 119.914 -0.480 0.000 2.358 271 V HA -0.029 4.091 4.120 -0.000 0.000 0.246 271 V C 0.671 176.591 176.094 -0.290 0.000 1.047 271 V CA 1.615 63.661 62.300 -0.424 0.000 1.035 271 V CB -0.589 30.682 31.823 -0.921 0.000 0.658 271 V HN 0.920 nan 8.190 nan 0.000 0.452 272 D N -2.354 117.828 120.400 -0.363 0.000 2.742 272 D HA 0.196 4.836 4.640 -0.000 0.000 0.262 272 D C -2.051 174.048 176.300 -0.336 0.000 1.240 272 D CA -0.542 53.287 54.000 -0.285 0.000 0.752 272 D CB 1.774 42.422 40.800 -0.252 0.000 1.290 272 D HN 0.025 nan 8.370 nan 0.000 0.420 273 D N 1.928 122.173 120.400 -0.259 0.000 2.438 273 D HA 0.299 4.939 4.640 -0.000 0.000 0.257 273 D C -0.458 175.713 176.300 -0.215 0.000 1.148 273 D CA -0.298 53.554 54.000 -0.247 0.000 0.902 273 D CB 0.488 41.179 40.800 -0.181 0.000 1.062 273 D HN 0.290 nan 8.370 nan 0.000 0.518 274 L N 4.022 125.058 121.223 -0.312 0.000 2.385 274 L HA 0.352 4.692 4.340 -0.000 0.000 0.281 274 L C 0.724 177.515 176.870 -0.131 0.000 1.106 274 L CA 0.023 54.662 54.840 -0.335 0.000 0.856 274 L CB 0.392 41.925 42.059 -0.876 0.000 1.186 274 L HN 0.075 nan 8.230 nan 0.000 0.453 275 R N 3.900 124.398 120.500 -0.004 0.000 2.545 275 R HA 0.381 4.721 4.340 -0.000 0.000 0.289 275 R C -2.462 173.851 176.300 0.021 0.000 1.327 275 R CA -1.711 54.422 56.100 0.056 0.000 1.040 275 R CB 1.136 31.458 30.300 0.036 0.000 1.176 275 R HN 0.369 nan 8.270 nan 0.000 0.518 276 P HA 0.004 nan 4.420 nan 0.000 0.271 276 P C -0.516 176.436 177.300 -0.579 0.000 1.218 276 P CA -0.431 62.480 63.100 -0.315 0.000 0.780 276 P CB 0.777 32.154 31.700 -0.538 0.000 0.901 277 E N 1.479 121.416 120.200 -0.439 0.000 2.338 277 E HA 0.210 4.560 4.350 -0.000 0.000 0.272 277 E C -1.128 175.160 176.600 -0.520 0.000 1.029 277 E CA -0.293 55.909 56.400 -0.331 0.000 0.872 277 E CB 0.200 29.809 29.700 -0.151 0.000 1.015 277 E HN 0.252 nan 8.360 nan 0.000 0.417 278 F N 2.151 122.092 119.950 -0.014 0.000 2.444 278 F HA 0.407 4.934 4.527 -0.000 0.000 0.342 278 F C 0.388 176.291 175.800 0.172 0.000 1.121 278 F CA -0.970 57.046 58.000 0.027 0.000 0.997 278 F CB 1.796 40.716 39.000 -0.132 0.000 1.130 278 F HN 0.489 nan 8.300 nan 0.000 0.454 279 A N 3.024 126.054 122.820 0.350 0.000 2.544 279 A HA 0.480 4.800 4.320 -0.000 0.000 0.301 279 A C 0.887 178.571 177.584 0.167 0.000 1.368 279 A CA 0.325 52.483 52.037 0.201 0.000 1.045 279 A CB -1.113 17.955 19.000 0.113 0.000 1.129 279 A HN 1.441 nan 8.150 nan 0.000 0.540 280 G N 1.358 110.234 108.800 0.125 0.000 2.401 280 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.283 280 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.283 280 G C -0.544 174.271 174.900 -0.140 0.000 1.117 280 G CA 0.092 45.186 45.100 -0.010 0.000 1.051 280 G HN 0.744 nan 8.290 nan 0.000 0.510 281 Y N -0.264 120.063 120.300 0.046 0.000 2.499 281 Y HA 0.698 5.248 4.550 -0.000 0.000 0.347 281 Y C 0.745 176.657 175.900 0.019 0.000 0.987 281 Y CA -0.255 57.854 58.100 0.015 0.000 1.044 281 Y CB 2.089 40.540 38.460 -0.015 0.000 1.245 281 Y HN 0.354 nan 8.280 nan 0.000 0.461 282 S N 1.840 117.631 115.700 0.153 0.000 2.584 282 S HA 0.065 4.535 4.470 -0.000 0.000 0.270 282 S C 1.193 175.859 174.600 0.109 0.000 1.346 282 S CA -0.572 57.689 58.200 0.102 0.000 1.018 282 S CB 0.622 63.863 63.200 0.069 0.000 0.899 282 S HN 0.667 nan 8.310 nan 0.000 0.542 283 K N 2.675 123.125 120.400 0.083 0.000 2.103 283 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 283 K C 1.898 178.536 176.600 0.063 0.000 1.048 283 K CA 1.621 57.954 56.287 0.075 0.000 0.930 283 K CB -0.956 31.581 32.500 0.062 0.000 0.716 283 K HN 0.674 nan 8.250 nan 0.000 0.444 284 A N 0.229 123.084 122.820 0.059 0.000 2.218 284 A HA 0.253 4.573 4.320 -0.000 0.000 0.209 284 A C 1.858 179.470 177.584 0.046 0.000 1.168 284 A CA 0.947 53.016 52.037 0.054 0.000 0.804 284 A CB 0.029 19.060 19.000 0.053 0.000 0.834 284 A HN 0.218 nan 8.150 nan 0.000 0.482 285 A N -0.399 122.453 122.820 0.055 0.000 2.348 285 A HA 0.280 4.600 4.320 -0.000 0.000 0.224 285 A C 0.465 178.040 177.584 -0.014 0.000 1.227 285 A CA -0.295 51.779 52.037 0.063 0.000 0.885 285 A CB -0.083 18.992 19.000 0.125 0.000 0.933 285 A HN 0.495 nan 8.150 nan 0.000 0.506 286 E N 1.686 121.823 120.200 -0.106 0.000 2.465 286 E HA 0.144 4.494 4.350 -0.000 0.000 0.260 286 E C -2.268 173.920 176.600 -0.687 0.000 0.980 286 E CA -1.429 54.710 56.400 -0.434 0.000 0.927 286 E CB 0.298 29.884 29.700 -0.191 0.000 0.934 286 E HN 0.268 nan 8.360 nan 0.000 0.459 287 P HA 0.026 nan 4.420 nan 0.000 0.271 287 P C -1.088 175.824 177.300 -0.646 0.000 1.233 287 P CA 0.252 62.730 63.100 -1.036 0.000 0.789 287 P CB 0.509 31.504 31.700 -1.174 0.000 0.951 288 H N -1.588 117.300 119.070 -0.302 0.000 2.985 288 H HA 0.761 5.317 4.556 -0.000 0.000 0.360 288 H C -1.216 173.846 175.328 -0.443 0.000 1.221 288 H CA -1.587 54.376 56.048 -0.142 0.000 1.121 288 H CB 0.250 29.922 29.762 -0.149 0.000 1.854 288 H HN 0.400 nan 8.280 nan 0.000 0.551 289 A N 0.629 123.154 122.820 -0.491 0.000 2.401 289 A HA 0.495 4.814 4.320 -0.000 0.000 0.259 289 A C 0.878 178.218 177.584 -0.407 0.000 1.103 289 A CA 0.065 51.571 52.037 -0.885 0.000 0.789 289 A CB -0.099 18.361 19.000 -0.899 0.000 1.035 289 A HN 1.235 nan 8.150 nan 0.000 0.491 290 V N -0.039 119.641 119.914 -0.390 0.000 3.330 290 V HA 0.441 4.560 4.120 -0.000 0.000 0.309 290 V C 0.177 176.210 176.094 -0.102 0.000 1.481 290 V CA 0.594 62.732 62.300 -0.270 0.000 1.068 290 V CB -1.095 30.477 31.823 -0.417 0.000 0.935 290 V HN 1.245 nan 8.190 nan 0.000 0.453 291 S N 0.131 115.751 115.700 -0.133 0.000 2.537 291 S HA 0.866 5.336 4.470 -0.000 0.000 0.270 291 S C -1.328 173.224 174.600 -0.079 0.000 1.142 291 S CA -0.680 57.480 58.200 -0.067 0.000 0.870 291 S CB 2.312 65.484 63.200 -0.046 0.000 1.112 291 S HN 0.278 nan 8.310 nan 0.000 0.466 292 L N 1.006 122.201 121.223 -0.046 0.000 2.393 292 L HA 0.978 5.318 4.340 -0.000 0.000 0.260 292 L C -0.671 176.188 176.870 -0.017 0.000 1.002 292 L CA -0.983 53.815 54.840 -0.070 0.000 0.818 292 L CB 2.331 44.315 42.059 -0.124 0.000 1.369 292 L HN 1.114 nan 8.230 nan 0.000 0.412 293 A N 1.038 123.847 122.820 -0.017 0.000 2.532 293 A HA 0.595 4.915 4.320 -0.000 0.000 0.296 293 A C -2.196 175.466 177.584 0.129 0.000 1.058 293 A CA -0.475 51.618 52.037 0.093 0.000 0.729 293 A CB 0.695 19.767 19.000 0.120 0.000 1.285 293 A HN 0.618 nan 8.150 nan 0.000 0.396 294 W N 2.092 123.522 121.300 0.216 0.000 2.313 294 W HA 0.507 5.167 4.660 -0.000 0.000 0.328 294 W C 1.159 177.837 176.519 0.265 0.000 1.197 294 W CA 0.445 57.918 57.345 0.213 0.000 1.235 294 W CB 1.516 31.064 29.460 0.147 0.000 1.158 294 W HN 0.871 nan 8.180 nan 0.000 0.578 295 S N 1.177 117.211 115.700 0.557 0.000 2.589 295 S HA 0.321 4.791 4.470 -0.000 0.000 0.265 295 S C 1.104 175.890 174.600 0.310 0.000 1.342 295 S CA -0.158 58.311 58.200 0.447 0.000 1.005 295 S CB 1.134 64.590 63.200 0.427 0.000 0.909 295 S HN 0.697 nan 8.310 nan 0.000 0.555 296 A N 1.119 124.072 122.820 0.222 0.000 1.978 296 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 296 A C 1.718 179.364 177.584 0.103 0.000 1.170 296 A CA 1.723 53.847 52.037 0.146 0.000 0.636 296 A CB -1.047 18.022 19.000 0.115 0.000 0.810 296 A HN 0.977 nan 8.150 nan 0.000 0.448 297 D N -2.335 118.133 120.400 0.115 0.000 2.340 297 D HA 0.249 4.889 4.640 -0.000 0.000 0.220 297 D C 1.200 177.522 176.300 0.036 0.000 1.039 297 D CA 0.917 54.954 54.000 0.062 0.000 0.866 297 D CB -0.676 40.165 40.800 0.069 0.000 0.913 297 D HN 0.796 nan 8.370 nan 0.000 0.523 298 G N 0.432 109.290 108.800 0.097 0.000 2.155 298 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.257 298 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.257 298 G C 1.012 175.997 174.900 0.142 0.000 0.983 298 G CA 0.438 45.567 45.100 0.049 0.000 0.676 298 G HN 0.361 nan 8.290 nan 0.000 0.528 299 Q N -0.239 119.667 119.800 0.178 0.000 2.408 299 Q HA 0.136 4.476 4.340 -0.000 0.000 0.205 299 Q C 0.681 176.811 176.000 0.217 0.000 0.919 299 Q CA 1.151 57.058 55.803 0.174 0.000 0.932 299 Q CB 0.615 29.424 28.738 0.119 0.000 1.058 299 Q HN 0.559 nan 8.270 nan 0.000 0.517 300 T N 1.117 115.811 114.554 0.232 0.000 2.861 300 T HA 0.516 4.866 4.350 -0.000 0.000 0.287 300 T C -1.116 173.526 174.700 -0.097 0.000 1.003 300 T CA -0.544 61.553 62.100 -0.006 0.000 0.977 300 T CB 1.742 70.521 68.868 -0.148 0.000 0.996 300 T HN -0.048 nan 8.240 nan 0.000 0.448 301 L N 3.700 124.697 121.223 -0.378 0.000 2.349 301 L HA 0.703 5.043 4.340 -0.000 0.000 0.278 301 L C -1.693 174.871 176.870 -0.509 0.000 0.996 301 L CA -0.595 53.904 54.840 -0.569 0.000 0.825 301 L CB 0.336 41.914 42.059 -0.801 0.000 1.243 301 L HN 0.542 nan 8.230 nan 0.000 0.412 302 F N 4.110 123.958 119.950 -0.171 0.000 2.422 302 F HA 0.811 5.338 4.527 -0.000 0.000 0.333 302 F C 0.512 176.267 175.800 -0.076 0.000 1.095 302 F CA -0.382 57.557 58.000 -0.102 0.000 1.038 302 F CB 1.859 40.791 39.000 -0.114 0.000 1.156 302 F HN 0.617 nan 8.300 nan 0.000 0.483 303 A N 1.578 124.520 122.820 0.203 0.000 2.408 303 A HA 0.704 5.024 4.320 -0.000 0.000 0.295 303 A C -0.389 177.277 177.584 0.137 0.000 1.040 303 A CA -0.584 51.517 52.037 0.107 0.000 0.707 303 A CB 0.810 19.879 19.000 0.115 0.000 1.235 303 A HN 0.943 nan 8.150 nan 0.000 0.418 304 G N 0.611 109.404 108.800 -0.011 0.000 2.377 304 G HA2 0.554 4.514 3.960 -0.000 0.000 0.299 304 G HA3 0.554 4.514 3.960 -0.000 0.000 0.299 304 G C -0.918 173.903 174.900 -0.130 0.000 1.150 304 G CA -0.166 44.948 45.100 0.024 0.000 0.847 304 G HN 0.558 nan 8.290 nan 0.000 0.501 305 Y N -0.763 119.492 120.300 -0.075 0.000 2.598 305 Y HA 0.333 4.883 4.550 -0.000 0.000 0.340 305 Y C 1.863 177.564 175.900 -0.332 0.000 1.038 305 Y CA -0.352 57.645 58.100 -0.172 0.000 1.100 305 Y CB 2.286 40.695 38.460 -0.085 0.000 1.281 305 Y HN 0.628 nan 8.280 nan 0.000 0.488 306 T N -3.639 110.625 114.554 -0.483 0.000 3.163 306 T HA -0.106 4.244 4.350 -0.000 0.000 0.260 306 T C 0.471 174.947 174.700 -0.375 0.000 1.156 306 T CA 1.041 62.539 62.100 -1.004 0.000 1.072 306 T CB -0.352 67.592 68.868 -1.540 0.000 0.937 306 T HN 0.666 nan 8.240 nan 0.000 0.528 307 D N 0.815 121.122 120.400 -0.154 0.000 2.388 307 D HA 0.079 4.719 4.640 -0.000 0.000 0.221 307 D C 0.299 176.655 176.300 0.093 0.000 1.133 307 D CA -0.489 53.506 54.000 -0.008 0.000 0.831 307 D CB -0.626 40.140 40.800 -0.056 0.000 0.962 307 D HN 0.241 nan 8.370 nan 0.000 0.502 308 N N -1.287 117.487 118.700 0.124 0.000 2.965 308 N HA -0.138 4.601 4.740 -0.000 0.000 0.232 308 N C -0.575 175.048 175.510 0.189 0.000 0.913 308 N CA 0.868 54.026 53.050 0.179 0.000 0.981 308 N CB -1.685 36.917 38.487 0.191 0.000 1.077 308 N HN 0.272 nan 8.380 nan 0.000 0.589 309 V N 1.395 121.395 119.914 0.142 0.000 2.630 309 V HA 0.541 4.660 4.120 -0.000 0.000 0.305 309 V C 0.853 177.016 176.094 0.115 0.000 1.046 309 V CA -0.733 61.628 62.300 0.102 0.000 0.934 309 V CB 2.164 34.000 31.823 0.023 0.000 1.003 309 V HN 0.076 nan 8.190 nan 0.000 0.451 310 I N 3.875 124.454 120.570 0.015 0.000 2.359 310 I HA 0.516 4.686 4.170 -0.000 0.000 0.294 310 I C 0.194 176.267 176.117 -0.073 0.000 0.987 310 I CA -0.377 60.922 61.300 -0.000 0.000 1.225 310 I CB 1.243 39.134 38.000 -0.181 0.000 1.366 310 I HN 0.500 nan 8.210 nan 0.000 0.466 311 R N 4.607 125.112 120.500 0.008 0.000 2.664 311 R HA 0.751 5.090 4.340 -0.000 0.000 0.286 311 R C -1.331 174.777 176.300 -0.321 0.000 0.967 311 R CA -0.875 55.067 56.100 -0.262 0.000 0.933 311 R CB 2.450 32.511 30.300 -0.398 0.000 1.146 311 R HN 0.318 nan 8.270 nan 0.000 0.468 312 V N 2.574 122.090 119.914 -0.664 0.000 2.407 312 V HA 0.371 4.491 4.120 -0.000 0.000 0.291 312 V C -0.578 175.051 176.094 -0.774 0.000 1.018 312 V CA -0.887 60.968 62.300 -0.742 0.000 0.842 312 V CB 1.298 32.462 31.823 -1.098 0.000 0.996 312 V HN 0.616 nan 8.190 nan 0.000 0.426 313 W N 3.045 124.062 121.300 -0.472 0.000 2.570 313 W HA 0.612 5.272 4.660 -0.000 0.000 0.337 313 W C -0.151 176.200 176.519 -0.281 0.000 1.067 313 W CA -0.643 56.517 57.345 -0.308 0.000 1.229 313 W CB 2.046 31.372 29.460 -0.222 0.000 1.355 313 W HN 0.477 nan 8.180 nan 0.000 0.555 314 Q N 1.129 120.968 119.800 0.065 0.000 2.375 314 Q HA 0.369 4.709 4.340 -0.000 0.000 0.271 314 Q C -0.116 175.983 176.000 0.165 0.000 1.074 314 Q CA -0.691 55.163 55.803 0.086 0.000 0.808 314 Q CB 3.118 31.898 28.738 0.069 0.000 1.327 314 Q HN 0.155 nan 8.270 nan 0.000 0.441 318 A N 2.477 125.332 122.820 0.057 0.000 1.855 318 A HA 0.245 4.565 4.320 -0.000 0.000 0.213 318 A C 1.103 178.707 177.584 0.035 0.000 1.195 318 A CA 0.870 52.935 52.037 0.047 0.000 0.610 318 A CB -0.525 18.503 19.000 0.046 0.000 0.837 318 A HN 0.802 nan 8.150 nan 0.000 0.444 319 N N 0.000 118.719 118.700 0.032 0.000 1.763 319 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 319 N CA 0.000 53.065 53.050 0.024 0.000 0.885 319 N CB 0.000 38.499 38.487 0.021 0.000 1.341 319 N HN 0.000 nan 8.380 nan 0.000 0.667