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 3ejb_1_D DATA FIRST_RESID 6 DATA SEQUENCE TASSEFLKNP YSFYDTLRAV HPIYKGSFLK YPGWYVTGYE ETAAILKDAR DATA SEQUENCE FKVRTPLPES STKYQDLSHV QNQMMLFQNQ PDHRRLRTLA SGAFTPRTTE DATA SEQUENCE SYQPYIIETV HHLLDQVQGK KKMEVISDFA FPLASFVIAN IIGVPEEDRE DATA SEQUENCE QLKEWAASLI QTIDFTRSRK ALTEGNIMAV QAMAYFKELI QKRKRHPQQD DATA SEQUENCE MISMLLKGRE KDKLTEEEAA STCILLAIAG HETTVNLISN SVLCLLQHPE DATA SEQUENCE QLLKLRENPD LIGTAVEECL RYESPTQMTA RVASEDIDIC GVTIRQGEQV DATA SEQUENCE YLLLGAANRD PSIFTNPDVF DITRSPNPHL SFGHGHHVCL GSSLARLEAQ DATA SEQUENCE IAINTLLQRM PSLNLAXXXW RYRPLFGFRA LEELPVTFE 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.718 174.700 0.030 0.000 1.109 6 T CA 0.000 62.115 62.100 0.024 0.000 1.349 6 T CB 0.000 68.886 68.868 0.030 0.000 0.612 7 A N 1.776 124.614 122.820 0.030 0.000 1.898 7 A HA -0.023 4.297 4.320 0.000 0.000 0.216 7 A C 2.338 179.941 177.584 0.033 0.000 1.181 7 A CA 2.247 54.299 52.037 0.026 0.000 0.620 7 A CB -0.822 18.187 19.000 0.016 0.000 0.819 7 A HN 1.079 nan 8.150 nan 0.000 0.442 8 S N -0.573 115.163 115.700 0.060 0.000 2.406 8 S HA -0.084 4.386 4.470 0.000 0.000 0.228 8 S C 1.990 176.678 174.600 0.147 0.000 1.020 8 S CA 1.399 59.681 58.200 0.136 0.000 0.965 8 S CB -0.552 62.766 63.200 0.197 0.000 0.798 8 S HN 0.416 nan 8.310 nan 0.000 0.488 9 S N 1.902 117.658 115.700 0.094 0.000 2.368 9 S HA -0.037 4.433 4.470 0.000 0.000 0.224 9 S C 1.949 176.572 174.600 0.038 0.000 1.029 9 S CA 1.134 59.378 58.200 0.073 0.000 0.988 9 S CB -0.362 62.869 63.200 0.051 0.000 0.838 9 S HN 0.530 nan 8.310 nan 0.000 0.462 10 E N 0.510 120.725 120.200 0.025 0.000 2.106 10 E HA -0.057 4.293 4.350 0.000 0.000 0.192 10 E C 1.733 178.295 176.600 -0.065 0.000 0.984 10 E CA 0.569 56.964 56.400 -0.009 0.000 0.806 10 E CB -0.300 29.404 29.700 0.006 0.000 0.750 10 E HN 0.605 nan 8.360 nan 0.000 0.458 11 F N 1.366 121.183 119.950 -0.222 0.000 2.146 11 F HA -0.134 4.393 4.527 0.000 0.000 0.298 11 F C 2.125 177.659 175.800 -0.443 0.000 1.096 11 F CA 1.062 58.819 58.000 -0.405 0.000 1.275 11 F CB -0.087 38.566 39.000 -0.578 0.000 1.008 11 F HN -0.096 nan 8.300 nan 0.000 0.480 12 L N 0.118 121.182 121.223 -0.265 0.000 2.141 12 L HA -0.171 4.170 4.340 0.000 0.000 0.209 12 L C 2.284 178.904 176.870 -0.416 0.000 1.094 12 L CA 1.241 55.872 54.840 -0.349 0.000 0.763 12 L CB -0.529 41.529 42.059 -0.002 0.000 0.908 12 L HN 0.095 nan 8.230 nan 0.000 0.437 13 K N -0.394 119.882 120.400 -0.206 0.000 2.155 13 K HA -0.071 4.249 4.320 0.000 0.000 0.203 13 K C 0.440 176.922 176.600 -0.197 0.000 1.052 13 K CA 0.679 56.916 56.287 -0.083 0.000 0.948 13 K CB 0.063 32.570 32.500 0.011 0.000 0.728 13 K HN 0.079 nan 8.250 nan 0.000 0.448 14 N N -0.478 118.001 118.700 -0.368 0.000 2.751 14 N HA 0.092 4.832 4.740 0.000 0.000 0.234 14 N C -2.526 172.554 175.510 -0.717 0.000 1.403 14 N CA -1.392 51.424 53.050 -0.388 0.000 0.747 14 N CB 1.160 39.551 38.487 -0.160 0.000 1.326 14 N HN -0.211 nan 8.380 nan 0.000 0.532 15 P HA -0.022 nan 4.420 nan 0.000 0.229 15 P C 0.656 176.996 177.300 -1.600 0.000 1.160 15 P CA 0.765 62.737 63.100 -1.880 0.000 0.777 15 P CB 0.144 30.487 31.700 -2.262 0.000 0.814 16 Y N 0.195 120.048 120.300 -0.744 0.000 2.314 16 Y HA -0.037 4.513 4.550 0.000 0.000 0.293 16 Y C 3.048 178.814 175.900 -0.222 0.000 1.129 16 Y CA 1.093 58.953 58.100 -0.400 0.000 1.201 16 Y CB -1.402 36.920 38.460 -0.229 0.000 0.999 16 Y HN -0.006 nan 8.280 nan 0.000 0.541 17 S N -0.088 115.550 115.700 -0.103 0.000 2.368 17 S HA -0.236 4.234 4.470 0.000 0.000 0.225 17 S C 1.993 176.567 174.600 -0.043 0.000 1.030 17 S CA 1.211 59.384 58.200 -0.044 0.000 0.999 17 S CB -0.639 62.537 63.200 -0.039 0.000 0.844 17 S HN 0.441 nan 8.310 nan 0.000 0.459 18 F N 1.098 120.894 119.950 -0.256 0.000 2.134 18 F HA -0.053 4.475 4.527 0.000 0.000 0.299 18 F C 1.835 177.584 175.800 -0.085 0.000 1.097 18 F CA 1.553 59.441 58.000 -0.186 0.000 1.264 18 F CB -0.499 38.405 39.000 -0.160 0.000 1.001 18 F HN 0.264 nan 8.300 nan 0.000 0.479 19 Y N 0.495 120.831 120.300 0.059 0.000 2.224 19 Y HA -0.225 4.325 4.550 0.000 0.000 0.289 19 Y C 2.406 178.275 175.900 -0.052 0.000 1.146 19 Y CA 1.037 59.137 58.100 -0.000 0.000 1.182 19 Y CB -1.460 37.024 38.460 0.039 0.000 0.983 19 Y HN 0.103 nan 8.280 nan 0.000 0.524 20 D N -0.771 119.693 120.400 0.108 0.000 2.117 20 D HA -0.124 4.516 4.640 0.000 0.000 0.197 20 D C 2.098 178.383 176.300 -0.026 0.000 0.987 20 D CA 1.815 55.844 54.000 0.047 0.000 0.829 20 D CB -0.430 40.392 40.800 0.038 0.000 0.961 20 D HN 0.287 nan 8.370 nan 0.000 0.460 21 T N 1.087 115.572 114.554 -0.115 0.000 2.746 21 T HA -0.126 4.225 4.350 0.000 0.000 0.267 21 T C 1.977 176.561 174.700 -0.193 0.000 1.039 21 T CA 0.593 62.587 62.100 -0.177 0.000 1.142 21 T CB -0.206 68.478 68.868 -0.307 0.000 0.866 21 T HN 0.012 nan 8.240 nan 0.000 0.444 22 L N 0.773 121.829 121.223 -0.277 0.000 2.046 22 L HA 0.053 4.393 4.340 0.000 0.000 0.208 22 L C 2.575 179.437 176.870 -0.015 0.000 1.077 22 L CA 1.541 56.216 54.840 -0.275 0.000 0.747 22 L CB -0.706 41.179 42.059 -0.289 0.000 0.896 22 L HN 0.129 nan 8.230 nan 0.000 0.432 23 R N -0.545 119.969 120.500 0.023 0.000 2.096 23 R HA -0.138 4.202 4.340 0.000 0.000 0.235 23 R C 2.122 178.460 176.300 0.064 0.000 1.127 23 R CA 1.274 57.415 56.100 0.068 0.000 0.968 23 R CB -0.161 30.179 30.300 0.066 0.000 0.861 23 R HN 0.364 nan 8.270 nan 0.000 0.440 24 A N -0.052 122.795 122.820 0.045 0.000 2.066 24 A HA -0.033 4.287 4.320 0.000 0.000 0.218 24 A C 2.090 179.725 177.584 0.084 0.000 1.157 24 A CA 0.967 53.033 52.037 0.048 0.000 0.670 24 A CB -0.081 18.936 19.000 0.028 0.000 0.804 24 A HN 0.201 nan 8.150 nan 0.000 0.453 25 V N -0.893 119.098 119.914 0.128 0.000 2.273 25 V HA 0.020 4.140 4.120 0.000 0.000 0.242 25 V C 1.082 177.363 176.094 0.311 0.000 1.035 25 V CA 1.562 63.995 62.300 0.221 0.000 1.013 25 V CB -0.368 31.648 31.823 0.322 0.000 0.652 25 V HN 0.742 nan 8.190 nan 0.000 0.452 26 H N -0.931 118.279 119.070 0.234 0.000 3.151 26 H HA 0.176 4.732 4.556 0.000 0.000 0.333 26 H C -2.414 173.055 175.328 0.235 0.000 1.093 26 H CA -0.836 55.344 56.048 0.219 0.000 1.342 26 H CB 2.513 32.418 29.762 0.239 0.000 1.983 26 H HN -0.062 nan 8.280 nan 0.000 0.503 27 P HA -0.013 nan 4.420 nan 0.000 0.221 27 P C 0.380 177.840 177.300 0.267 0.000 1.145 27 P CA 0.977 64.136 63.100 0.098 0.000 0.795 27 P CB 0.785 32.465 31.700 -0.034 0.000 0.775 28 I N -0.490 120.400 120.570 0.533 0.000 2.405 28 I HA 0.228 4.399 4.170 0.000 0.000 0.280 28 I C -0.650 175.895 176.117 0.714 0.000 1.027 28 I CA -1.135 60.499 61.300 0.557 0.000 1.161 28 I CB 0.872 39.091 38.000 0.365 0.000 1.300 28 I HN -0.198 nan 8.210 nan 0.000 0.463 29 Y N 6.461 127.077 120.300 0.526 0.000 2.353 29 Y HA 0.399 4.949 4.550 0.000 0.000 0.340 29 Y C 0.157 176.261 175.900 0.340 0.000 0.972 29 Y CA -0.804 57.546 58.100 0.416 0.000 1.157 29 Y CB 1.010 39.687 38.460 0.362 0.000 1.157 29 Y HN 0.414 nan 8.280 nan 0.000 0.495 30 K N 4.568 124.745 120.400 -0.371 0.000 2.312 30 K HA 0.639 4.959 4.320 0.000 0.000 0.287 30 K C -0.238 175.995 176.600 -0.612 0.000 1.062 30 K CA 0.401 56.241 56.287 -0.745 0.000 0.934 30 K CB 0.415 32.189 32.500 -1.210 0.000 1.027 30 K HN 0.910 nan 8.250 nan 0.000 0.478 31 G N 0.697 109.366 108.800 -0.218 0.000 2.500 31 G HA2 0.416 4.376 3.960 0.000 0.000 0.299 31 G HA3 0.416 4.376 3.960 0.000 0.000 0.299 31 G C -1.543 173.306 174.900 -0.084 0.000 1.242 31 G CA -0.499 44.502 45.100 -0.165 0.000 0.859 31 G HN 0.541 nan 8.290 nan 0.000 0.481 32 S N -1.054 114.404 115.700 -0.402 0.000 2.566 32 S HA 0.772 5.242 4.470 0.000 0.000 0.273 32 S C -2.092 172.106 174.600 -0.671 0.000 1.157 32 S CA -0.598 57.441 58.200 -0.269 0.000 0.938 32 S CB 0.765 63.877 63.200 -0.146 0.000 1.087 32 S HN 0.666 nan 8.310 nan 0.000 0.474 33 F N 3.746 123.753 119.950 0.095 0.000 2.569 33 F HA 0.592 5.119 4.527 0.000 0.000 0.312 33 F C 0.170 176.039 175.800 0.116 0.000 1.109 33 F CA -0.970 57.057 58.000 0.046 0.000 0.919 33 F CB 1.628 40.583 39.000 -0.077 0.000 1.211 33 F HN 0.481 nan 8.300 nan 0.000 0.446 34 L N 3.478 124.818 121.223 0.194 0.000 3.839 34 L HA -0.338 4.003 4.340 0.000 0.000 0.416 34 L C 0.658 177.317 176.870 -0.351 0.000 1.195 34 L CA 0.587 55.429 54.840 0.004 0.000 0.946 34 L CB -1.358 40.793 42.059 0.153 0.000 1.891 34 L HN 0.733 nan 8.230 nan 0.000 0.963 35 K N -3.551 116.672 120.400 -0.296 0.000 3.467 35 K HA -0.195 4.125 4.320 0.000 0.000 0.309 35 K C -0.423 175.843 176.600 -0.555 0.000 1.350 35 K CA 1.240 57.270 56.287 -0.429 0.000 0.934 35 K CB -2.086 30.118 32.500 -0.493 0.000 1.312 35 K HN 0.476 nan 8.250 nan 0.000 0.461 36 Y N 1.735 121.964 120.300 -0.119 0.000 2.402 36 Y HA 0.349 4.899 4.550 0.000 0.000 0.332 36 Y C -1.896 174.101 175.900 0.162 0.000 0.960 36 Y CA -2.586 55.469 58.100 -0.075 0.000 1.228 36 Y CB 1.135 39.340 38.460 -0.424 0.000 1.120 36 Y HN -0.102 nan 8.280 nan 0.000 0.491 37 P HA 0.574 nan 4.420 nan 0.000 0.282 37 P C 0.181 177.653 177.300 0.288 0.000 1.249 37 P CA 0.110 63.337 63.100 0.211 0.000 0.806 37 P CB 2.366 34.106 31.700 0.066 0.000 0.984 38 G N 1.177 110.103 108.800 0.210 0.000 2.344 38 G HA2 0.230 4.190 3.960 0.000 0.000 0.282 38 G HA3 0.230 4.190 3.960 0.000 0.000 0.282 38 G C -2.237 172.647 174.900 -0.028 0.000 1.281 38 G CA -0.886 44.258 45.100 0.073 0.000 0.877 38 G HN 0.326 nan 8.290 nan 0.000 0.494 39 W N 0.494 121.836 121.300 0.070 0.000 2.349 39 W HA 0.686 5.346 4.660 0.000 0.000 0.309 39 W C -0.896 175.675 176.519 0.088 0.000 1.083 39 W CA -0.505 56.918 57.345 0.130 0.000 1.224 39 W CB 0.989 30.489 29.460 0.067 0.000 1.256 39 W HN 0.377 nan 8.180 nan 0.000 0.461 40 Y N 2.747 123.382 120.300 0.559 0.000 2.353 40 Y HA 0.449 4.999 4.550 0.000 0.000 0.340 40 Y C 0.126 176.246 175.900 0.367 0.000 0.972 40 Y CA -1.008 57.384 58.100 0.487 0.000 1.157 40 Y CB 0.936 39.733 38.460 0.562 0.000 1.157 40 Y HN -0.006 nan 8.280 nan 0.000 0.495 41 V N 3.177 123.279 119.914 0.312 0.000 2.350 41 V HA 0.199 4.319 4.120 0.000 0.000 0.276 41 V C 0.544 176.699 176.094 0.101 0.000 1.028 41 V CA -0.321 62.091 62.300 0.186 0.000 0.860 41 V CB 1.138 32.997 31.823 0.060 0.000 0.990 41 V HN 0.956 nan 8.190 nan 0.000 0.453 42 T N 0.307 114.924 114.554 0.106 0.000 3.044 42 T HA 0.257 4.608 4.350 0.000 0.000 0.260 42 T C 0.791 175.524 174.700 0.054 0.000 1.019 42 T CA 0.359 62.482 62.100 0.038 0.000 0.921 42 T CB 0.457 69.362 68.868 0.061 0.000 1.053 42 T HN 0.734 nan 8.240 nan 0.000 0.533 43 G N 0.063 108.901 108.800 0.063 0.000 2.356 43 G HA2 0.446 4.406 3.960 0.000 0.000 0.298 43 G HA3 0.446 4.406 3.960 0.000 0.000 0.298 43 G C 0.007 174.952 174.900 0.075 0.000 1.145 43 G CA -0.721 44.422 45.100 0.073 0.000 0.850 43 G HN 0.218 nan 8.290 nan 0.000 0.487 44 Y N 1.372 121.672 120.300 0.000 0.000 2.089 44 Y HA -0.162 4.388 4.550 0.000 0.000 0.282 44 Y C 2.621 178.490 175.900 -0.053 0.000 1.139 44 Y CA 2.195 60.289 58.100 -0.010 0.000 1.123 44 Y CB 0.273 38.738 38.460 0.009 0.000 0.980 44 Y HN 0.493 nan 8.280 nan 0.000 0.493 45 E N 0.433 120.752 120.200 0.198 0.000 2.118 45 E HA -0.210 4.140 4.350 0.000 0.000 0.195 45 E C 1.921 178.497 176.600 -0.041 0.000 0.992 45 E CA 1.640 58.086 56.400 0.076 0.000 0.804 45 E CB -0.187 29.562 29.700 0.082 0.000 0.741 45 E HN 0.615 nan 8.360 nan 0.000 0.458 46 E N -0.178 120.001 120.200 -0.035 0.000 2.072 46 E HA -0.085 4.265 4.350 0.000 0.000 0.191 46 E C 2.156 178.677 176.600 -0.131 0.000 0.985 46 E CA 1.441 57.803 56.400 -0.064 0.000 0.801 46 E CB -0.429 29.256 29.700 -0.025 0.000 0.750 46 E HN 0.133 nan 8.360 nan 0.000 0.452 47 T N 0.634 115.097 114.554 -0.152 0.000 2.652 47 T HA -0.199 4.151 4.350 0.000 0.000 0.267 47 T C 1.957 176.517 174.700 -0.234 0.000 1.039 47 T CA 1.518 63.498 62.100 -0.199 0.000 1.153 47 T CB -0.487 68.256 68.868 -0.208 0.000 0.863 47 T HN 0.290 nan 8.240 nan 0.000 0.428 48 A N 1.589 124.212 122.820 -0.328 0.000 1.883 48 A HA 0.069 4.389 4.320 0.000 0.000 0.217 48 A C 2.677 180.196 177.584 -0.108 0.000 1.186 48 A CA 2.085 53.917 52.037 -0.341 0.000 0.624 48 A CB -1.267 17.415 19.000 -0.529 0.000 0.822 48 A HN 0.521 nan 8.150 nan 0.000 0.444 49 A N -0.247 122.515 122.820 -0.097 0.000 1.908 49 A HA -0.128 4.192 4.320 0.000 0.000 0.218 49 A C 2.151 179.716 177.584 -0.031 0.000 1.181 49 A CA 1.680 53.699 52.037 -0.029 0.000 0.627 49 A CB -0.638 18.348 19.000 -0.024 0.000 0.818 49 A HN 0.513 nan 8.150 nan 0.000 0.445 50 I N -0.483 119.989 120.570 -0.164 0.000 2.252 50 I HA -0.232 3.938 4.170 0.000 0.000 0.245 50 I C 2.289 178.309 176.117 -0.161 0.000 1.102 50 I CA 1.025 62.101 61.300 -0.372 0.000 1.385 50 I CB -0.228 37.352 38.000 -0.701 0.000 1.064 50 I HN 0.283 nan 8.210 nan 0.000 0.414 51 L N 0.327 121.498 121.223 -0.086 0.000 2.201 51 L HA -0.178 4.162 4.340 0.000 0.000 0.212 51 L C 2.365 179.269 176.870 0.057 0.000 1.105 51 L CA 1.286 56.130 54.840 0.006 0.000 0.775 51 L CB -0.425 41.659 42.059 0.041 0.000 0.913 51 L HN 0.218 nan 8.230 nan 0.000 0.440 52 K N -0.884 119.561 120.400 0.074 0.000 2.167 52 K HA -0.060 4.260 4.320 0.000 0.000 0.203 52 K C 0.566 177.207 176.600 0.068 0.000 1.052 52 K CA 0.250 56.545 56.287 0.013 0.000 0.956 52 K CB -0.057 32.470 32.500 0.045 0.000 0.735 52 K HN 0.069 nan 8.250 nan 0.000 0.451 53 D N 0.725 121.215 120.400 0.151 0.000 2.338 53 D HA 0.098 4.738 4.640 0.000 0.000 0.255 53 D C 0.548 176.989 176.300 0.234 0.000 1.237 53 D CA -0.099 54.029 54.000 0.213 0.000 0.883 53 D CB 1.356 42.361 40.800 0.343 0.000 1.087 53 D HN 0.148 nan 8.370 nan 0.000 0.485 54 A N 5.097 128.024 122.820 0.178 0.000 2.121 54 A HA -0.135 4.185 4.320 0.000 0.000 0.218 54 A C 2.064 179.691 177.584 0.071 0.000 1.154 54 A CA 0.769 52.899 52.037 0.155 0.000 0.679 54 A CB -0.113 18.962 19.000 0.125 0.000 0.795 54 A HN 0.633 nan 8.150 nan 0.000 0.458 55 R N -1.408 119.094 120.500 0.004 0.000 2.120 55 R HA -0.072 4.268 4.340 0.000 0.000 0.234 55 R C -0.443 175.724 176.300 -0.223 0.000 1.123 55 R CA 0.635 56.649 56.100 -0.143 0.000 0.975 55 R CB -0.293 29.852 30.300 -0.257 0.000 0.866 55 R HN 0.489 nan 8.270 nan 0.000 0.446 56 F N 2.202 122.149 119.950 -0.005 0.000 2.434 56 F HA 0.149 4.676 4.527 0.000 0.000 0.358 56 F C 0.499 176.293 175.800 -0.009 0.000 1.136 56 F CA 0.033 58.022 58.000 -0.019 0.000 1.157 56 F CB 0.403 39.385 39.000 -0.030 0.000 1.167 56 F HN -0.283 nan 8.300 nan 0.000 0.539 57 K N 2.651 123.122 120.400 0.118 0.000 2.098 57 K HA 0.572 4.893 4.320 0.000 0.000 0.261 57 K C -0.242 176.380 176.600 0.037 0.000 0.987 57 K CA -1.048 55.281 56.287 0.069 0.000 0.916 57 K CB 1.743 34.266 32.500 0.039 0.000 1.039 57 K HN 0.424 nan 8.250 nan 0.000 0.455 58 V N -0.052 119.848 119.914 -0.024 0.000 3.185 58 V HA 0.486 4.606 4.120 0.000 0.000 0.305 58 V C -0.052 176.070 176.094 0.048 0.000 1.090 58 V CA -0.432 61.837 62.300 -0.051 0.000 1.107 58 V CB 0.836 32.512 31.823 -0.245 0.000 1.061 58 V HN 0.946 nan 8.190 nan 0.000 0.480 59 R N 0.931 121.497 120.500 0.110 0.000 2.712 59 R HA 0.354 4.694 4.340 0.000 0.000 0.272 59 R C -0.584 175.734 176.300 0.030 0.000 1.032 59 R CA 0.170 56.319 56.100 0.083 0.000 0.874 59 R CB 0.422 30.744 30.300 0.037 0.000 1.256 59 R HN 1.111 nan 8.270 nan 0.000 0.468 60 T N 0.052 114.571 114.554 -0.058 0.000 2.871 60 T HA 0.155 4.505 4.350 0.000 0.000 0.296 60 T C -1.252 173.286 174.700 -0.270 0.000 0.998 60 T CA -0.743 61.213 62.100 -0.240 0.000 1.162 60 T CB 0.346 69.144 68.868 -0.117 0.000 0.947 60 T HN 0.478 nan 8.240 nan 0.000 0.536 61 P HA 0.146 nan 4.420 nan 0.000 0.237 61 P C -0.019 177.201 177.300 -0.134 0.000 1.178 61 P CA 0.348 63.282 63.100 -0.277 0.000 0.766 61 P CB 0.179 31.653 31.700 -0.376 0.000 0.876 62 L N -0.406 120.745 121.223 -0.120 0.000 2.354 62 L HA 0.512 4.853 4.340 0.000 0.000 0.264 62 L C -2.504 174.363 176.870 -0.005 0.000 1.008 62 L CA -3.188 51.640 54.840 -0.021 0.000 0.819 62 L CB 1.683 43.754 42.059 0.019 0.000 1.339 62 L HN -0.430 nan 8.230 nan 0.000 0.420 63 P HA -0.095 nan 4.420 nan 0.000 0.261 63 P C 0.318 177.630 177.300 0.020 0.000 1.165 63 P CA 0.456 63.572 63.100 0.028 0.000 0.759 63 P CB 0.528 32.251 31.700 0.038 0.000 0.772 64 E N 1.783 121.992 120.200 0.015 0.000 2.110 64 E HA -0.141 4.209 4.350 0.000 0.000 0.193 64 E C 0.324 176.939 176.600 0.025 0.000 0.988 64 E CA 1.137 57.546 56.400 0.016 0.000 0.804 64 E CB 0.077 29.788 29.700 0.018 0.000 0.745 64 E HN 0.339 nan 8.360 nan 0.000 0.458 65 S N 0.058 115.772 115.700 0.023 0.000 2.573 65 S HA 0.114 4.584 4.470 0.000 0.000 0.244 65 S C -0.121 174.489 174.600 0.017 0.000 0.984 65 S CA -0.320 57.893 58.200 0.021 0.000 1.001 65 S CB 0.840 64.049 63.200 0.016 0.000 0.788 65 S HN 0.058 nan 8.310 nan 0.000 0.456 66 S N 2.243 117.956 115.700 0.022 0.000 2.525 66 S HA 0.348 4.818 4.470 0.000 0.000 0.278 66 S C 0.903 175.510 174.600 0.011 0.000 1.234 66 S CA -0.426 57.782 58.200 0.014 0.000 1.058 66 S CB 0.708 63.926 63.200 0.030 0.000 0.983 66 S HN 0.412 nan 8.310 nan 0.000 0.495 67 T N 1.638 116.180 114.554 -0.020 0.000 3.182 67 T HA 0.322 4.672 4.350 0.000 0.000 0.277 67 T C 1.089 175.735 174.700 -0.090 0.000 1.013 67 T CA -0.442 61.642 62.100 -0.028 0.000 0.900 67 T CB 0.036 68.889 68.868 -0.025 0.000 1.098 67 T HN 0.612 nan 8.240 nan 0.000 0.543 68 K N 0.882 121.181 120.400 -0.169 0.000 2.097 68 K HA 0.014 4.334 4.320 0.000 0.000 0.205 68 K C -0.419 175.818 176.600 -0.606 0.000 1.050 68 K CA 0.963 57.002 56.287 -0.414 0.000 0.938 68 K CB 0.071 32.241 32.500 -0.550 0.000 0.718 68 K HN 0.567 nan 8.250 nan 0.000 0.442 69 Y N 0.541 120.847 120.300 0.011 0.000 2.562 69 Y HA 0.180 4.730 4.550 0.000 0.000 0.363 69 Y C 0.949 176.861 175.900 0.019 0.000 0.991 69 Y CA -0.678 57.431 58.100 0.014 0.000 1.121 69 Y CB 0.822 39.291 38.460 0.014 0.000 1.159 69 Y HN 0.071 nan 8.280 nan 0.000 0.651 70 Q N 0.953 120.808 119.800 0.092 0.000 2.096 70 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 70 Q C 0.934 176.995 176.000 0.102 0.000 0.982 70 Q CA 2.256 58.102 55.803 0.071 0.000 0.850 70 Q CB 0.247 28.997 28.738 0.021 0.000 0.901 70 Q HN 0.645 nan 8.270 nan 0.000 0.422 71 D N 0.219 120.677 120.400 0.097 0.000 2.149 71 D HA -0.132 4.508 4.640 0.000 0.000 0.201 71 D C 1.991 178.363 176.300 0.119 0.000 0.972 71 D CA 0.656 54.716 54.000 0.100 0.000 0.835 71 D CB 0.021 40.859 40.800 0.064 0.000 0.966 71 D HN 0.244 nan 8.370 nan 0.000 0.476 72 L N 1.270 122.560 121.223 0.112 0.000 2.056 72 L HA -0.113 4.228 4.340 0.000 0.000 0.207 72 L C 2.259 179.177 176.870 0.080 0.000 1.078 72 L CA 1.578 56.467 54.840 0.081 0.000 0.749 72 L CB -0.627 41.470 42.059 0.063 0.000 0.901 72 L HN -0.192 nan 8.230 nan 0.000 0.433 73 S N -1.352 114.413 115.700 0.108 0.000 2.368 73 S HA -0.269 4.201 4.470 0.000 0.000 0.225 73 S C 1.963 176.619 174.600 0.093 0.000 1.030 73 S CA 1.486 59.735 58.200 0.082 0.000 0.999 73 S CB -0.603 62.655 63.200 0.096 0.000 0.844 73 S HN 0.752 nan 8.310 nan 0.000 0.459 74 H N 1.044 120.136 119.070 0.036 0.000 2.357 74 H HA 0.024 4.580 4.556 0.000 0.000 0.301 74 H C 1.841 177.195 175.328 0.044 0.000 1.082 74 H CA 1.638 57.708 56.048 0.036 0.000 1.342 74 H CB -0.376 29.404 29.762 0.030 0.000 1.389 74 H HN 0.142 nan 8.280 nan 0.000 0.511 75 V N 0.642 120.564 119.914 0.013 0.000 2.307 75 V HA -0.263 3.857 4.120 0.000 0.000 0.245 75 V C 2.327 178.419 176.094 -0.003 0.000 1.045 75 V CA 2.176 64.459 62.300 -0.029 0.000 1.024 75 V CB -0.538 31.303 31.823 0.031 0.000 0.651 75 V HN 0.519 nan 8.190 nan 0.000 0.449 76 Q N -0.004 119.819 119.800 0.040 0.000 2.084 76 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 76 Q C 2.072 178.169 176.000 0.161 0.000 0.978 76 Q CA 1.674 57.544 55.803 0.111 0.000 0.844 76 Q CB -0.231 28.485 28.738 -0.036 0.000 0.898 76 Q HN 0.618 nan 8.270 nan 0.000 0.426 77 N N 0.354 119.078 118.700 0.039 0.000 2.396 77 N HA -0.096 4.644 4.740 0.000 0.000 0.180 77 N C 1.091 176.629 175.510 0.048 0.000 1.028 77 N CA 0.835 53.917 53.050 0.053 0.000 0.893 77 N CB 0.085 38.581 38.487 0.014 0.000 0.967 77 N HN 0.306 nan 8.380 nan 0.000 0.440 78 Q N -0.436 119.344 119.800 -0.033 0.000 2.425 78 Q HA 0.185 4.525 4.340 0.000 0.000 0.204 78 Q C 0.022 176.036 176.000 0.024 0.000 0.933 78 Q CA 0.111 55.888 55.803 -0.043 0.000 0.939 78 Q CB 0.210 28.854 28.738 -0.157 0.000 1.044 78 Q HN 0.386 nan 8.270 nan 0.000 0.513 79 M N 1.185 120.837 119.600 0.088 0.000 2.217 79 M HA 0.069 4.549 4.480 0.000 0.000 0.354 79 M C 1.415 177.760 176.300 0.076 0.000 1.225 79 M CA -0.047 55.299 55.300 0.078 0.000 1.137 79 M CB 0.893 33.560 32.600 0.111 0.000 1.576 79 M HN 0.212 nan 8.290 nan 0.000 0.461 80 M N 1.778 121.412 119.600 0.056 0.000 2.279 80 M HA -0.134 4.346 4.480 0.000 0.000 0.264 80 M C 1.379 177.786 176.300 0.180 0.000 1.062 80 M CA 1.690 57.077 55.300 0.145 0.000 1.099 80 M CB -0.477 32.188 32.600 0.108 0.000 1.394 80 M HN 0.645 nan 8.290 nan 0.000 0.426 81 L N 0.662 121.839 121.223 -0.076 0.000 2.191 81 L HA -0.008 4.332 4.340 0.000 0.000 0.212 81 L C 0.778 177.329 176.870 -0.532 0.000 1.103 81 L CA 1.779 56.405 54.840 -0.356 0.000 0.769 81 L CB -0.419 41.201 42.059 -0.732 0.000 0.908 81 L HN 0.358 nan 8.230 nan 0.000 0.438 82 F N -1.002 118.979 119.950 0.052 0.000 2.735 82 F HA 0.388 4.915 4.527 0.000 0.000 0.304 82 F C 0.599 176.423 175.800 0.040 0.000 1.119 82 F CA -0.748 57.256 58.000 0.007 0.000 1.280 82 F CB -0.248 38.760 39.000 0.013 0.000 0.994 82 F HN -0.029 nan 8.300 nan 0.000 0.520 83 Q N 0.892 120.817 119.800 0.207 0.000 2.282 83 Q HA 0.367 4.708 4.340 0.000 0.000 0.260 83 Q C -0.265 175.852 176.000 0.196 0.000 0.964 83 Q CA -0.337 55.584 55.803 0.195 0.000 0.880 83 Q CB 2.407 31.263 28.738 0.196 0.000 1.286 83 Q HN 0.226 nan 8.270 nan 0.000 0.445 84 N N 0.721 119.504 118.700 0.138 0.000 2.681 84 N HA 0.245 4.985 4.740 0.000 0.000 0.311 84 N C -0.327 175.243 175.510 0.100 0.000 1.303 84 N CA -0.641 52.473 53.050 0.107 0.000 0.926 84 N CB 0.618 39.147 38.487 0.069 0.000 1.136 84 N HN 0.346 nan 8.380 nan 0.000 0.592 85 Q N 1.196 121.027 119.800 0.052 0.000 2.354 85 Q HA 0.250 4.590 4.340 0.000 0.000 0.244 85 Q C -1.468 174.548 176.000 0.027 0.000 0.969 85 Q CA -1.097 54.725 55.803 0.031 0.000 0.885 85 Q CB 0.051 28.781 28.738 -0.012 0.000 1.241 85 Q HN 0.447 nan 8.270 nan 0.000 0.461 86 P HA 0.132 nan 4.420 nan 0.000 0.262 86 P C -0.217 177.094 177.300 0.018 0.000 1.304 86 P CA 0.169 63.274 63.100 0.010 0.000 0.859 86 P CB 0.638 32.337 31.700 -0.001 0.000 1.310 87 D N -0.648 119.777 120.400 0.042 0.000 2.183 87 D HA -0.164 4.476 4.640 0.000 0.000 0.203 87 D C 1.687 178.017 176.300 0.050 0.000 0.969 87 D CA 0.867 54.892 54.000 0.042 0.000 0.842 87 D CB -0.181 40.653 40.800 0.056 0.000 0.957 87 D HN 0.425 nan 8.370 nan 0.000 0.484 88 H N 2.035 121.096 119.070 -0.016 0.000 2.270 88 H HA -0.075 4.481 4.556 0.000 0.000 0.299 88 H C 2.041 177.328 175.328 -0.069 0.000 1.077 88 H CA 1.209 57.234 56.048 -0.037 0.000 1.294 88 H CB 0.326 30.048 29.762 -0.067 0.000 1.371 88 H HN -0.078 nan 8.280 nan 0.000 0.491 89 R N 0.757 121.102 120.500 -0.259 0.000 2.096 89 R HA -0.169 4.172 4.340 0.000 0.000 0.240 89 R C 2.654 178.830 176.300 -0.207 0.000 1.139 89 R CA 1.309 57.237 56.100 -0.287 0.000 0.952 89 R CB -0.889 29.333 30.300 -0.130 0.000 0.854 89 R HN 0.461 nan 8.270 nan 0.000 0.436 90 R N 0.936 121.363 120.500 -0.121 0.000 2.082 90 R HA -0.110 4.230 4.340 0.000 0.000 0.234 90 R C 2.487 178.735 176.300 -0.086 0.000 1.136 90 R CA 1.534 57.587 56.100 -0.079 0.000 0.935 90 R CB -0.375 29.901 30.300 -0.041 0.000 0.842 90 R HN 0.158 nan 8.270 nan 0.000 0.430 91 L N 0.150 121.319 121.223 -0.091 0.000 2.046 91 L HA -0.149 4.191 4.340 0.000 0.000 0.208 91 L C 2.970 179.780 176.870 -0.099 0.000 1.077 91 L CA 1.565 56.364 54.840 -0.069 0.000 0.747 91 L CB -0.453 41.586 42.059 -0.033 0.000 0.896 91 L HN 0.291 nan 8.230 nan 0.000 0.432 92 R N -0.323 120.051 120.500 -0.211 0.000 2.066 92 R HA -0.138 4.202 4.340 0.000 0.000 0.232 92 R C 2.250 178.484 176.300 -0.111 0.000 1.131 92 R CA 1.936 57.912 56.100 -0.207 0.000 0.955 92 R CB -0.260 29.785 30.300 -0.424 0.000 0.851 92 R HN 0.242 nan 8.270 nan 0.000 0.432 93 T N 1.534 116.018 114.554 -0.118 0.000 2.720 93 T HA -0.136 4.215 4.350 0.000 0.000 0.268 93 T C 1.775 176.459 174.700 -0.027 0.000 1.037 93 T CA 1.284 63.346 62.100 -0.063 0.000 1.144 93 T CB -0.141 68.688 68.868 -0.064 0.000 0.864 93 T HN 0.170 nan 8.240 nan 0.000 0.444 94 L N 0.356 121.562 121.223 -0.028 0.000 2.201 94 L HA 0.004 4.345 4.340 0.000 0.000 0.212 94 L C 2.601 179.482 176.870 0.018 0.000 1.105 94 L CA 1.035 55.870 54.840 -0.007 0.000 0.775 94 L CB -0.309 41.743 42.059 -0.011 0.000 0.913 94 L HN 0.255 nan 8.230 nan 0.000 0.440 95 A N -1.471 121.372 122.820 0.038 0.000 2.220 95 A HA 0.001 4.321 4.320 0.000 0.000 0.211 95 A C 2.291 179.990 177.584 0.192 0.000 1.176 95 A CA 0.669 52.770 52.037 0.107 0.000 0.834 95 A CB -0.223 18.847 19.000 0.116 0.000 0.868 95 A HN 0.402 nan 8.150 nan 0.000 0.488 96 S N -0.423 115.354 115.700 0.127 0.000 2.453 96 S HA 0.016 4.486 4.470 0.000 0.000 0.231 96 S C 1.887 176.570 174.600 0.139 0.000 1.005 96 S CA 1.111 59.411 58.200 0.165 0.000 0.949 96 S CB -0.747 62.492 63.200 0.065 0.000 0.774 96 S HN 0.568 nan 8.310 nan 0.000 0.510 97 G N 1.214 110.048 108.800 0.058 0.000 2.448 97 G HA2 0.112 4.072 3.960 0.000 0.000 0.219 97 G HA3 0.112 4.072 3.960 0.000 0.000 0.219 97 G C 1.341 176.206 174.900 -0.059 0.000 1.127 97 G CA 0.541 45.640 45.100 -0.001 0.000 0.766 97 G HN 0.802 nan 8.290 nan 0.000 0.552 98 A N -0.705 122.027 122.820 -0.146 0.000 2.275 98 A HA 0.566 4.886 4.320 0.000 0.000 0.212 98 A C 1.004 178.252 177.584 -0.561 0.000 1.201 98 A CA 0.085 51.895 52.037 -0.379 0.000 0.843 98 A CB 0.003 18.668 19.000 -0.558 0.000 0.873 98 A HN 0.258 nan 8.150 nan 0.000 0.492 99 F N -0.165 119.825 119.950 0.066 0.000 2.772 99 F HA 0.134 4.661 4.527 0.000 0.000 0.316 99 F C 1.237 177.043 175.800 0.011 0.000 1.114 99 F CA -0.085 57.954 58.000 0.064 0.000 1.191 99 F CB -0.107 38.918 39.000 0.042 0.000 1.065 99 F HN 0.083 nan 8.300 nan 0.000 0.534 100 T N -2.027 112.582 114.554 0.092 0.000 2.856 100 T HA 0.108 4.458 4.350 0.000 0.000 0.306 100 T C -1.583 173.120 174.700 0.005 0.000 1.062 100 T CA -1.284 60.837 62.100 0.036 0.000 1.083 100 T CB 1.199 70.064 68.868 -0.004 0.000 0.984 100 T HN -0.172 nan 8.240 nan 0.000 0.542 101 P HA -0.155 nan 4.420 nan 0.000 0.216 101 P C 1.699 178.972 177.300 -0.046 0.000 1.154 101 P CA 1.364 64.456 63.100 -0.013 0.000 0.865 101 P CB 0.051 31.744 31.700 -0.012 0.000 0.789 102 R N -0.828 119.637 120.500 -0.059 0.000 2.066 102 R HA -0.074 4.266 4.340 0.000 0.000 0.232 102 R C 2.411 178.619 176.300 -0.153 0.000 1.131 102 R CA 2.157 58.207 56.100 -0.085 0.000 0.955 102 R CB -1.852 28.407 30.300 -0.069 0.000 0.851 102 R HN 0.338 nan 8.270 nan 0.000 0.432 103 T N -1.265 113.175 114.554 -0.189 0.000 2.821 103 T HA -0.088 4.262 4.350 0.000 0.000 0.267 103 T C 2.005 176.315 174.700 -0.651 0.000 1.046 103 T CA 1.706 63.593 62.100 -0.355 0.000 1.139 103 T CB -0.531 68.167 68.868 -0.284 0.000 0.871 103 T HN 0.101 nan 8.240 nan 0.000 0.454 104 T N 2.106 116.445 114.554 -0.358 0.000 2.746 104 T HA -0.074 4.276 4.350 0.000 0.000 0.267 104 T C 1.885 176.471 174.700 -0.189 0.000 1.039 104 T CA 1.507 63.478 62.100 -0.215 0.000 1.142 104 T CB -0.346 68.555 68.868 0.055 0.000 0.866 104 T HN 0.582 nan 8.240 nan 0.000 0.444 105 E N 1.244 121.355 120.200 -0.148 0.000 2.204 105 E HA -0.103 4.247 4.350 0.000 0.000 0.195 105 E C 2.459 179.002 176.600 -0.094 0.000 0.990 105 E CA 1.295 57.650 56.400 -0.076 0.000 0.821 105 E CB -0.133 29.534 29.700 -0.056 0.000 0.750 105 E HN 0.600 nan 8.360 nan 0.000 0.477 106 S N -0.003 115.565 115.700 -0.220 0.000 2.481 106 S HA -0.117 4.353 4.470 0.000 0.000 0.231 106 S C 1.583 176.147 174.600 -0.060 0.000 0.996 106 S CA 0.411 58.508 58.200 -0.171 0.000 0.942 106 S CB -0.290 62.769 63.200 -0.235 0.000 0.768 106 S HN 0.221 nan 8.310 nan 0.000 0.520 107 Y N 2.033 122.348 120.300 0.026 0.000 2.457 107 Y HA 0.145 4.695 4.550 0.000 0.000 0.292 107 Y C 2.627 178.581 175.900 0.091 0.000 1.125 107 Y CA -0.021 58.115 58.100 0.060 0.000 1.254 107 Y CB -1.049 37.446 38.460 0.058 0.000 1.012 107 Y HN 0.448 nan 8.280 nan 0.000 0.555 108 Q N 0.839 120.751 119.800 0.186 0.000 2.045 108 Q HA -0.201 4.139 4.340 0.000 0.000 0.206 108 Q C -0.782 175.286 176.000 0.113 0.000 0.991 108 Q CA 2.506 58.386 55.803 0.127 0.000 0.851 108 Q CB -0.943 27.841 28.738 0.076 0.000 0.911 108 Q HN 0.228 nan 8.270 nan 0.000 0.418 109 P HA -0.200 nan 4.420 nan 0.000 0.215 109 P C 0.740 178.111 177.300 0.117 0.000 1.157 109 P CA 1.339 64.499 63.100 0.100 0.000 0.874 109 P CB -0.351 31.406 31.700 0.094 0.000 0.790 110 Y N 0.243 120.567 120.300 0.040 0.000 2.181 110 Y HA -0.163 4.387 4.550 0.000 0.000 0.288 110 Y C 2.081 177.975 175.900 -0.009 0.000 1.146 110 Y CA 1.317 59.423 58.100 0.011 0.000 1.164 110 Y CB -1.000 37.472 38.460 0.019 0.000 0.982 110 Y HN -0.172 nan 8.280 nan 0.000 0.515 111 I N -0.237 120.310 120.570 -0.039 0.000 2.179 111 I HA -0.337 3.834 4.170 0.000 0.000 0.242 111 I C 2.304 178.326 176.117 -0.159 0.000 1.088 111 I CA 1.631 62.848 61.300 -0.138 0.000 1.357 111 I CB -0.457 37.542 38.000 -0.001 0.000 1.051 111 I HN 0.207 nan 8.210 nan 0.000 0.409 112 I N 0.573 121.104 120.570 -0.066 0.000 2.226 112 I HA -0.281 3.889 4.170 0.000 0.000 0.245 112 I C 2.493 178.605 176.117 -0.008 0.000 1.100 112 I CA 1.517 62.795 61.300 -0.036 0.000 1.374 112 I CB -0.483 37.545 38.000 0.046 0.000 1.057 112 I HN 0.262 nan 8.210 nan 0.000 0.413 113 E N 0.455 120.632 120.200 -0.038 0.000 2.038 113 E HA -0.212 4.138 4.350 0.000 0.000 0.195 113 E C 2.168 178.695 176.600 -0.122 0.000 1.000 113 E CA 2.116 58.489 56.400 -0.045 0.000 0.803 113 E CB -0.174 29.467 29.700 -0.099 0.000 0.750 113 E HN 0.479 nan 8.360 nan 0.000 0.448 114 T N 0.789 115.134 114.554 -0.347 0.000 2.746 114 T HA -0.132 4.218 4.350 0.000 0.000 0.267 114 T C 2.108 176.728 174.700 -0.133 0.000 1.039 114 T CA 1.102 62.973 62.100 -0.381 0.000 1.142 114 T CB -0.263 68.222 68.868 -0.638 0.000 0.866 114 T HN -0.028 nan 8.240 nan 0.000 0.444 115 V N 1.267 121.106 119.914 -0.125 0.000 2.332 115 V HA -0.214 3.906 4.120 0.000 0.000 0.248 115 V C 2.509 178.625 176.094 0.037 0.000 1.055 115 V CA 1.645 63.936 62.300 -0.013 0.000 1.038 115 V CB -0.657 31.123 31.823 -0.072 0.000 0.651 115 V HN 0.567 nan 8.190 nan 0.000 0.450 116 H N -0.886 118.206 119.070 0.038 0.000 2.353 116 H HA -0.161 4.396 4.556 0.000 0.000 0.300 116 H C 2.349 177.692 175.328 0.024 0.000 1.090 116 H CA 1.933 57.993 56.048 0.020 0.000 1.327 116 H CB -0.467 29.296 29.762 0.003 0.000 1.383 116 H HN 0.583 nan 8.280 nan 0.000 0.508 117 H N 0.971 120.076 119.070 0.058 0.000 2.352 117 H HA -0.084 4.472 4.556 0.000 0.000 0.299 117 H C 2.259 177.599 175.328 0.020 0.000 1.097 117 H CA 1.144 57.192 56.048 -0.001 0.000 1.311 117 H CB -0.052 29.656 29.762 -0.090 0.000 1.377 117 H HN 0.239 nan 8.280 nan 0.000 0.504 118 L N 0.409 121.623 121.223 -0.016 0.000 2.093 118 L HA -0.147 4.193 4.340 0.000 0.000 0.208 118 L C 2.783 179.646 176.870 -0.010 0.000 1.085 118 L CA 0.577 55.421 54.840 0.006 0.000 0.755 118 L CB -0.213 41.977 42.059 0.219 0.000 0.904 118 L HN 0.241 nan 8.230 nan 0.000 0.435 119 L N -0.724 120.491 121.223 -0.013 0.000 2.376 119 L HA -0.136 4.204 4.340 0.000 0.000 0.219 119 L C 1.831 178.643 176.870 -0.098 0.000 1.133 119 L CA 0.428 55.190 54.840 -0.130 0.000 0.816 119 L CB -0.431 41.518 42.059 -0.184 0.000 0.933 119 L HN 0.223 nan 8.230 nan 0.000 0.449 120 D N -0.352 120.003 120.400 -0.075 0.000 2.183 120 D HA -0.137 4.504 4.640 0.000 0.000 0.203 120 D C 2.240 178.495 176.300 -0.074 0.000 0.969 120 D CA 0.832 54.793 54.000 -0.065 0.000 0.842 120 D CB 0.043 40.804 40.800 -0.064 0.000 0.957 120 D HN 0.236 nan 8.370 nan 0.000 0.484 121 Q N -0.038 119.689 119.800 -0.120 0.000 2.369 121 Q HA -0.002 4.338 4.340 0.000 0.000 0.206 121 Q C 1.887 177.884 176.000 -0.006 0.000 0.963 121 Q CA 0.314 56.070 55.803 -0.078 0.000 0.894 121 Q CB 0.091 28.765 28.738 -0.106 0.000 0.965 121 Q HN 0.208 nan 8.270 nan 0.000 0.475 122 V N -0.372 119.547 119.914 0.009 0.000 3.604 122 V HA 0.083 4.203 4.120 0.000 0.000 0.277 122 V C 0.517 176.728 176.094 0.195 0.000 1.399 122 V CA 0.049 62.405 62.300 0.092 0.000 1.034 122 V CB 0.529 32.401 31.823 0.082 0.000 0.824 122 V HN 0.199 nan 8.190 nan 0.000 0.439 123 Q N 0.420 120.279 119.800 0.099 0.000 2.359 123 Q HA 0.400 4.740 4.340 0.000 0.000 0.249 123 Q C 0.926 177.016 176.000 0.150 0.000 1.181 123 Q CA 0.931 56.829 55.803 0.159 0.000 0.897 123 Q CB 0.047 28.810 28.738 0.041 0.000 1.424 123 Q HN 0.597 nan 8.270 nan 0.000 0.478 124 G N 3.427 112.339 108.800 0.187 0.000 2.738 124 G HA2 -0.164 3.796 3.960 0.000 0.000 0.195 124 G HA3 -0.164 3.796 3.960 0.000 0.000 0.195 124 G C 0.669 175.576 174.900 0.011 0.000 1.001 124 G CA -0.199 44.943 45.100 0.071 0.000 0.759 124 G HN 0.544 nan 8.290 nan 0.000 0.494 125 K N 0.702 121.116 120.400 0.024 0.000 2.361 125 K HA 0.272 4.592 4.320 0.000 0.000 0.196 125 K C 1.423 177.888 176.600 -0.226 0.000 1.039 125 K CA 0.729 56.986 56.287 -0.049 0.000 1.001 125 K CB 0.090 32.601 32.500 0.017 0.000 0.795 125 K HN 0.313 nan 8.250 nan 0.000 0.495 126 K N 0.344 120.434 120.400 -0.517 0.000 3.547 126 K HA -0.240 4.080 4.320 0.000 0.000 0.309 126 K C -0.281 175.652 176.600 -1.112 0.000 1.324 126 K CA 1.626 57.323 56.287 -0.985 0.000 0.988 126 K CB -1.193 31.039 32.500 -0.446 0.000 1.261 126 K HN 0.352 nan 8.250 nan 0.000 0.444 127 K N 0.007 120.027 120.400 -0.633 0.000 2.512 127 K HA 0.715 5.035 4.320 0.000 0.000 0.263 127 K C -1.093 175.600 176.600 0.155 0.000 0.966 127 K CA -1.139 55.022 56.287 -0.209 0.000 0.851 127 K CB 2.435 34.867 32.500 -0.113 0.000 1.395 127 K HN 0.040 nan 8.250 nan 0.000 0.440 128 M N 1.434 121.169 119.600 0.225 0.000 2.471 128 M HA 0.224 4.704 4.480 0.000 0.000 0.284 128 M C -1.827 174.551 176.300 0.130 0.000 1.203 128 M CA -0.458 54.974 55.300 0.220 0.000 0.915 128 M CB 2.587 35.344 32.600 0.261 0.000 1.734 128 M HN 0.875 nan 8.290 nan 0.000 0.485 129 E N 3.482 123.746 120.200 0.107 0.000 2.035 129 E HA 0.243 4.594 4.350 0.000 0.000 0.271 129 E C 0.325 176.994 176.600 0.114 0.000 0.953 129 E CA -0.106 56.350 56.400 0.092 0.000 0.777 129 E CB 1.352 31.097 29.700 0.074 0.000 1.104 129 E HN 0.711 nan 8.360 nan 0.000 0.408 130 V N 5.590 125.570 119.914 0.110 0.000 2.380 130 V HA -0.304 3.817 4.120 0.000 0.000 0.251 130 V C 2.133 178.346 176.094 0.199 0.000 1.063 130 V CA 1.690 64.085 62.300 0.159 0.000 1.055 130 V CB -0.430 31.467 31.823 0.124 0.000 0.657 130 V HN 0.670 nan 8.190 nan 0.000 0.455 131 I N 0.677 121.328 120.570 0.136 0.000 2.141 131 I HA -0.175 3.995 4.170 0.000 0.000 0.236 131 I C 2.665 178.887 176.117 0.175 0.000 1.071 131 I CA 1.858 63.238 61.300 0.133 0.000 1.345 131 I CB -0.582 37.464 38.000 0.077 0.000 1.066 131 I HN 0.468 nan 8.210 nan 0.000 0.406 132 S N -0.266 115.513 115.700 0.132 0.000 2.428 132 S HA -0.104 4.366 4.470 0.000 0.000 0.230 132 S C 1.413 176.132 174.600 0.198 0.000 1.014 132 S CA 0.971 59.255 58.200 0.141 0.000 0.957 132 S CB -0.244 62.990 63.200 0.057 0.000 0.784 132 S HN 0.338 nan 8.310 nan 0.000 0.499 133 D N -0.733 119.781 120.400 0.190 0.000 2.346 133 D HA 0.300 4.940 4.640 0.000 0.000 0.206 133 D C 0.769 177.241 176.300 0.285 0.000 1.001 133 D CA 0.374 54.493 54.000 0.197 0.000 0.871 133 D CB 0.218 41.109 40.800 0.151 0.000 0.943 133 D HN 0.479 nan 8.370 nan 0.000 0.518 134 F N 0.144 120.141 119.950 0.078 0.000 1.832 134 F HA 0.357 4.884 4.527 0.000 0.000 0.236 134 F C 1.791 177.623 175.800 0.052 0.000 1.180 134 F CA 0.530 58.554 58.000 0.040 0.000 1.297 134 F CB -0.483 38.516 39.000 -0.001 0.000 1.748 134 F HN -0.162 nan 8.300 nan 0.000 0.453 135 A N 0.655 123.472 122.820 -0.005 0.000 1.877 135 A HA -0.149 4.172 4.320 0.000 0.000 0.216 135 A C 2.103 179.656 177.584 -0.051 0.000 1.186 135 A CA 1.935 53.898 52.037 -0.123 0.000 0.620 135 A CB -1.607 17.411 19.000 0.030 0.000 0.822 135 A HN 0.562 nan 8.150 nan 0.000 0.443 136 F N 1.382 121.305 119.950 -0.045 0.000 2.084 136 F HA -0.029 4.498 4.527 0.000 0.000 0.296 136 F C -0.709 175.067 175.800 -0.040 0.000 1.111 136 F CA 1.783 59.764 58.000 -0.032 0.000 1.224 136 F CB -1.020 37.984 39.000 0.007 0.000 0.991 136 F HN 0.149 nan 8.300 nan 0.000 0.471 137 P HA -0.219 nan 4.420 nan 0.000 0.216 137 P C 1.881 179.116 177.300 -0.109 0.000 1.153 137 P CA 1.607 64.566 63.100 -0.235 0.000 0.858 137 P CB -0.209 31.571 31.700 0.133 0.000 0.789 138 L N -0.179 120.965 121.223 -0.131 0.000 1.976 138 L HA -0.129 4.212 4.340 0.000 0.000 0.209 138 L C 2.287 179.058 176.870 -0.164 0.000 1.071 138 L CA 2.379 57.133 54.840 -0.143 0.000 0.746 138 L CB -1.617 40.242 42.059 -0.334 0.000 0.890 138 L HN -0.099 nan 8.230 nan 0.000 0.432 139 A N -1.500 121.166 122.820 -0.257 0.000 1.908 139 A HA -0.247 4.073 4.320 0.000 0.000 0.218 139 A C 2.534 179.862 177.584 -0.426 0.000 1.181 139 A CA 2.117 53.992 52.037 -0.270 0.000 0.627 139 A CB -1.227 17.639 19.000 -0.223 0.000 0.818 139 A HN 0.588 nan 8.150 nan 0.000 0.445 140 S N -1.507 113.797 115.700 -0.659 0.000 2.356 140 S HA -0.124 4.346 4.470 0.000 0.000 0.223 140 S C 1.738 176.107 174.600 -0.384 0.000 1.032 140 S CA 1.478 59.213 58.200 -0.775 0.000 1.005 140 S CB -0.531 62.066 63.200 -1.005 0.000 0.867 140 S HN 0.439 nan 8.310 nan 0.000 0.449 141 F N 1.491 121.292 119.950 -0.248 0.000 2.126 141 F HA -0.070 4.457 4.527 0.000 0.000 0.299 141 F C 2.431 178.242 175.800 0.018 0.000 1.096 141 F CA 1.161 59.121 58.000 -0.065 0.000 1.255 141 F CB -0.848 38.130 39.000 -0.037 0.000 0.997 141 F HN 0.061 nan 8.300 nan 0.000 0.479 142 V N -0.349 119.661 119.914 0.160 0.000 2.270 142 V HA -0.270 3.850 4.120 0.000 0.000 0.245 142 V C 2.230 178.300 176.094 -0.040 0.000 1.043 142 V CA 1.827 64.183 62.300 0.092 0.000 1.014 142 V CB -0.621 31.203 31.823 0.002 0.000 0.645 142 V HN 0.246 nan 8.190 nan 0.000 0.447 143 I N 0.390 120.920 120.570 -0.067 0.000 2.439 143 I HA -0.061 4.109 4.170 0.000 0.000 0.251 143 I C 2.302 178.442 176.117 0.039 0.000 1.139 143 I CA 1.487 62.773 61.300 -0.024 0.000 1.438 143 I CB -0.554 37.439 38.000 -0.012 0.000 1.085 143 I HN 0.171 nan 8.210 nan 0.000 0.427 144 A N -0.103 122.746 122.820 0.047 0.000 1.930 144 A HA -0.196 4.124 4.320 0.000 0.000 0.217 144 A C 2.124 179.748 177.584 0.066 0.000 1.175 144 A CA 2.005 54.104 52.037 0.103 0.000 0.627 144 A CB -1.034 18.011 19.000 0.076 0.000 0.815 144 A HN 0.571 nan 8.150 nan 0.000 0.443 145 N N -0.359 118.351 118.700 0.016 0.000 2.216 145 N HA -0.013 4.727 4.740 0.000 0.000 0.183 145 N C 1.562 177.019 175.510 -0.089 0.000 1.017 145 N CA 1.208 54.225 53.050 -0.055 0.000 0.861 145 N CB -0.226 38.159 38.487 -0.169 0.000 0.986 145 N HN 0.498 nan 8.380 nan 0.000 0.428 146 I N 0.670 121.166 120.570 -0.123 0.000 2.202 146 I HA -0.228 3.942 4.170 0.000 0.000 0.242 146 I C 1.832 177.925 176.117 -0.040 0.000 1.091 146 I CA 1.064 62.275 61.300 -0.149 0.000 1.368 146 I CB -0.180 37.666 38.000 -0.257 0.000 1.058 146 I HN 0.146 nan 8.210 nan 0.000 0.410 147 I N 0.313 120.905 120.570 0.037 0.000 2.252 147 I HA -0.133 4.038 4.170 0.000 0.000 0.245 147 I C 1.501 177.691 176.117 0.123 0.000 1.102 147 I CA 1.367 62.732 61.300 0.109 0.000 1.385 147 I CB -0.414 37.710 38.000 0.208 0.000 1.064 147 I HN 0.477 nan 8.210 nan 0.000 0.414 148 G N 0.826 109.694 108.800 0.114 0.000 2.186 148 G HA2 -0.140 3.820 3.960 0.000 0.000 0.130 148 G HA3 -0.140 3.820 3.960 0.000 0.000 0.130 148 G C -0.206 174.777 174.900 0.139 0.000 1.031 148 G CA -0.497 44.663 45.100 0.100 0.000 0.697 148 G HN 0.074 nan 8.290 nan 0.000 0.494 149 V N 1.489 121.505 119.914 0.170 0.000 2.406 149 V HA 0.412 4.532 4.120 0.000 0.000 0.272 149 V C -1.313 174.852 176.094 0.119 0.000 1.043 149 V CA -1.538 60.877 62.300 0.192 0.000 0.915 149 V CB 1.347 33.311 31.823 0.235 0.000 0.988 149 V HN 0.185 nan 8.190 nan 0.000 0.466 150 P HA 0.021 nan 4.420 nan 0.000 0.267 150 P C 0.945 178.273 177.300 0.048 0.000 1.201 150 P CA -0.101 63.042 63.100 0.072 0.000 0.775 150 P CB 0.466 32.210 31.700 0.074 0.000 0.854 151 E N 1.304 121.529 120.200 0.042 0.000 2.333 151 E HA -0.229 4.121 4.350 0.000 0.000 0.198 151 E C 0.525 177.122 176.600 -0.006 0.000 1.007 151 E CA 1.264 57.680 56.400 0.027 0.000 0.845 151 E CB -0.373 29.369 29.700 0.070 0.000 0.766 151 E HN 0.451 nan 8.360 nan 0.000 0.507 152 E N 1.246 121.447 120.200 0.002 0.000 2.208 152 E HA -0.089 4.262 4.350 0.000 0.000 0.193 152 E C 1.012 177.574 176.600 -0.063 0.000 0.988 152 E CA 1.189 57.579 56.400 -0.016 0.000 0.828 152 E CB 0.153 29.855 29.700 0.005 0.000 0.763 152 E HN 0.314 nan 8.360 nan 0.000 0.478 153 D N -0.203 120.152 120.400 -0.074 0.000 2.395 153 D HA 0.109 4.749 4.640 0.000 0.000 0.213 153 D C 1.186 177.325 176.300 -0.268 0.000 1.110 153 D CA -0.014 53.865 54.000 -0.201 0.000 0.835 153 D CB 0.243 40.928 40.800 -0.193 0.000 0.965 153 D HN 0.084 nan 8.370 nan 0.000 0.505 154 R N 0.750 121.152 120.500 -0.163 0.000 2.148 154 R HA -0.053 4.287 4.340 0.000 0.000 0.227 154 R C 1.938 178.136 176.300 -0.170 0.000 1.103 154 R CA 0.691 56.703 56.100 -0.148 0.000 0.983 154 R CB 0.134 30.341 30.300 -0.155 0.000 0.874 154 R HN 0.222 nan 8.270 nan 0.000 0.451 155 E N 0.966 121.054 120.200 -0.187 0.000 2.152 155 E HA -0.179 4.171 4.350 0.000 0.000 0.192 155 E C 1.770 178.184 176.600 -0.309 0.000 0.983 155 E CA 0.833 57.135 56.400 -0.163 0.000 0.818 155 E CB 0.232 29.854 29.700 -0.129 0.000 0.758 155 E HN 0.338 nan 8.360 nan 0.000 0.467 156 Q N 0.113 119.614 119.800 -0.498 0.000 2.224 156 Q HA -0.100 4.240 4.340 0.000 0.000 0.203 156 Q C 2.268 177.556 176.000 -1.187 0.000 0.970 156 Q CA 0.681 55.949 55.803 -0.892 0.000 0.865 156 Q CB 0.091 28.170 28.738 -1.098 0.000 0.922 156 Q HN 0.363 nan 8.270 nan 0.000 0.445 157 L N 0.726 121.494 121.223 -0.758 0.000 2.083 157 L HA -0.230 4.110 4.340 0.000 0.000 0.209 157 L C 2.550 179.160 176.870 -0.433 0.000 1.083 157 L CA 1.234 55.797 54.840 -0.462 0.000 0.752 157 L CB -0.371 41.542 42.059 -0.243 0.000 0.899 157 L HN 0.218 nan 8.230 nan 0.000 0.433 158 K N 0.459 120.662 120.400 -0.330 0.000 2.032 158 K HA -0.252 4.068 4.320 0.000 0.000 0.209 158 K C 1.868 178.363 176.600 -0.174 0.000 1.048 158 K CA 1.901 58.097 56.287 -0.151 0.000 0.927 158 K CB 0.070 32.590 32.500 0.033 0.000 0.712 158 K HN 0.209 nan 8.250 nan 0.000 0.441 159 E N -0.259 119.792 120.200 -0.248 0.000 2.077 159 E HA -0.170 4.180 4.350 0.000 0.000 0.193 159 E C 1.776 178.375 176.600 -0.001 0.000 0.989 159 E CA 1.464 57.765 56.400 -0.165 0.000 0.800 159 E CB -0.198 29.363 29.700 -0.230 0.000 0.746 159 E HN 0.424 nan 8.360 nan 0.000 0.452 160 W N 0.647 121.899 121.300 -0.081 0.000 2.355 160 W HA 0.023 4.683 4.660 0.000 0.000 0.309 160 W C 2.431 178.924 176.519 -0.042 0.000 1.206 160 W CA 0.968 58.285 57.345 -0.047 0.000 1.284 160 W CB -1.267 28.177 29.460 -0.027 0.000 1.145 160 W HN 0.140 nan 8.180 nan 0.000 0.502 161 A N 0.514 123.419 122.820 0.140 0.000 1.902 161 A HA -0.002 4.318 4.320 0.000 0.000 0.217 161 A C 2.238 179.850 177.584 0.047 0.000 1.181 161 A CA 2.751 54.829 52.037 0.069 0.000 0.623 161 A CB -1.133 17.855 19.000 -0.020 0.000 0.818 161 A HN 0.131 nan 8.150 nan 0.000 0.443 162 A N -1.038 121.794 122.820 0.020 0.000 1.969 162 A HA -0.033 4.287 4.320 0.000 0.000 0.218 162 A C 2.431 180.024 177.584 0.014 0.000 1.169 162 A CA 2.073 54.109 52.037 -0.001 0.000 0.635 162 A CB -0.649 18.328 19.000 -0.038 0.000 0.810 162 A HN 0.569 nan 8.150 nan 0.000 0.445 163 S N -0.798 114.928 115.700 0.043 0.000 2.388 163 S HA 0.064 4.535 4.470 0.000 0.000 0.223 163 S C 1.842 176.470 174.600 0.046 0.000 1.034 163 S CA 0.835 59.064 58.200 0.048 0.000 0.963 163 S CB -0.353 62.892 63.200 0.076 0.000 0.827 163 S HN 0.474 nan 8.310 nan 0.000 0.481 164 L N 0.789 122.052 121.223 0.066 0.000 2.217 164 L HA 0.096 4.437 4.340 0.000 0.000 0.211 164 L C 2.269 179.176 176.870 0.060 0.000 1.107 164 L CA 0.450 55.326 54.840 0.060 0.000 0.783 164 L CB -0.351 41.754 42.059 0.078 0.000 0.919 164 L HN 0.345 nan 8.230 nan 0.000 0.442 165 I N 0.175 120.769 120.570 0.040 0.000 2.493 165 I HA -0.275 3.895 4.170 0.000 0.000 0.254 165 I C 2.432 178.588 176.117 0.065 0.000 1.160 165 I CA 1.274 62.582 61.300 0.013 0.000 1.445 165 I CB -0.101 37.828 38.000 -0.118 0.000 1.086 165 I HN 0.232 nan 8.210 nan 0.000 0.433 166 Q N 0.061 119.893 119.800 0.052 0.000 2.297 166 Q HA -0.140 4.200 4.340 0.000 0.000 0.204 166 Q C 2.045 178.084 176.000 0.066 0.000 0.962 166 Q CA 1.952 57.795 55.803 0.067 0.000 0.879 166 Q CB -0.593 28.166 28.738 0.035 0.000 0.947 166 Q HN 0.630 nan 8.270 nan 0.000 0.462 167 T N -2.287 112.295 114.554 0.047 0.000 3.118 167 T HA -0.042 4.308 4.350 0.000 0.000 0.260 167 T C 1.442 176.162 174.700 0.033 0.000 1.139 167 T CA 0.836 62.938 62.100 0.004 0.000 1.085 167 T CB -0.431 68.419 68.868 -0.030 0.000 0.934 167 T HN 0.523 nan 8.240 nan 0.000 0.518 168 I N -2.254 118.384 120.570 0.113 0.000 4.139 168 I HA 0.494 4.664 4.170 0.000 0.000 0.335 168 I C 0.153 176.380 176.117 0.183 0.000 1.327 168 I CA -0.722 60.663 61.300 0.142 0.000 1.112 168 I CB 0.013 38.159 38.000 0.242 0.000 1.058 168 I HN -0.083 nan 8.210 nan 0.000 0.396 169 D N 0.350 120.870 120.400 0.200 0.000 2.329 169 D HA 0.209 4.849 4.640 0.000 0.000 0.246 169 D C 0.784 177.227 176.300 0.238 0.000 1.111 169 D CA -0.336 53.801 54.000 0.230 0.000 0.941 169 D CB 0.860 41.805 40.800 0.242 0.000 1.169 169 D HN 0.013 nan 8.370 nan 0.000 0.441 170 F N 0.259 120.183 119.950 -0.043 0.000 2.216 170 F HA -0.109 4.418 4.527 0.000 0.000 0.300 170 F C 2.591 178.375 175.800 -0.026 0.000 1.085 170 F CA 1.342 59.315 58.000 -0.044 0.000 1.326 170 F CB -1.000 38.006 39.000 0.011 0.000 1.027 170 F HN 0.461 nan 8.300 nan 0.000 0.497 171 T N -1.160 113.412 114.554 0.030 0.000 3.148 171 T HA 0.006 4.356 4.350 0.000 0.000 0.253 171 T C 0.923 175.602 174.700 -0.035 0.000 1.134 171 T CA -0.500 61.523 62.100 -0.129 0.000 1.051 171 T CB -0.650 68.076 68.868 -0.238 0.000 0.959 171 T HN 0.270 nan 8.240 nan 0.000 0.525 172 R N 1.587 122.104 120.500 0.027 0.000 2.784 172 R HA 0.414 4.754 4.340 0.000 0.000 0.266 172 R C -0.218 176.081 176.300 -0.002 0.000 1.044 172 R CA -0.152 55.956 56.100 0.014 0.000 1.151 172 R CB 0.171 30.482 30.300 0.018 0.000 1.037 172 R HN 0.320 nan 8.270 nan 0.000 0.478 173 S N 0.404 116.093 115.700 -0.018 0.000 2.704 173 S HA 0.345 4.815 4.470 0.000 0.000 0.296 173 S C 0.628 175.219 174.600 -0.016 0.000 1.138 173 S CA -1.192 57.001 58.200 -0.013 0.000 0.875 173 S CB 2.077 65.269 63.200 -0.012 0.000 1.151 173 S HN 0.741 nan 8.310 nan 0.000 0.500 174 R N 0.658 121.170 120.500 0.020 0.000 2.091 174 R HA -0.076 4.264 4.340 0.000 0.000 0.238 174 R C 2.234 178.560 176.300 0.043 0.000 1.136 174 R CA 1.826 57.967 56.100 0.068 0.000 0.959 174 R CB -0.394 29.960 30.300 0.091 0.000 0.856 174 R HN 0.751 nan 8.270 nan 0.000 0.437 175 K N 0.406 120.819 120.400 0.023 0.000 2.057 175 K HA -0.113 4.207 4.320 0.000 0.000 0.207 175 K C 2.027 178.623 176.600 -0.007 0.000 1.049 175 K CA 1.383 57.681 56.287 0.018 0.000 0.931 175 K CB -0.073 32.435 32.500 0.013 0.000 0.714 175 K HN 0.177 nan 8.250 nan 0.000 0.440 176 A N 1.127 123.929 122.820 -0.029 0.000 1.933 176 A HA -0.100 4.220 4.320 0.000 0.000 0.218 176 A C 2.057 179.580 177.584 -0.102 0.000 1.175 176 A CA 1.185 53.196 52.037 -0.045 0.000 0.628 176 A CB -0.461 18.517 19.000 -0.036 0.000 0.814 176 A HN 0.314 nan 8.150 nan 0.000 0.444 177 L N -1.101 119.997 121.223 -0.207 0.000 2.179 177 L HA -0.087 4.254 4.340 0.000 0.000 0.208 177 L C 2.680 179.338 176.870 -0.355 0.000 1.096 177 L CA 1.407 55.960 54.840 -0.479 0.000 0.779 177 L CB -0.684 40.745 42.059 -1.050 0.000 0.922 177 L HN 0.312 nan 8.230 nan 0.000 0.443 178 T N -0.798 113.707 114.554 -0.081 0.000 2.737 178 T HA -0.232 4.118 4.350 0.000 0.000 0.265 178 T C 1.774 176.507 174.700 0.054 0.000 1.038 178 T CA 1.473 63.636 62.100 0.104 0.000 1.144 178 T CB -0.076 68.872 68.868 0.135 0.000 0.866 178 T HN 0.357 nan 8.240 nan 0.000 0.434 179 E N 0.496 120.708 120.200 0.021 0.000 2.077 179 E HA -0.118 4.232 4.350 0.000 0.000 0.193 179 E C 2.458 179.073 176.600 0.025 0.000 0.989 179 E CA 1.127 57.544 56.400 0.029 0.000 0.800 179 E CB -0.451 29.263 29.700 0.024 0.000 0.746 179 E HN 0.511 nan 8.360 nan 0.000 0.452 180 G N 0.803 109.596 108.800 -0.013 0.000 2.442 180 G HA2 -0.360 3.600 3.960 0.000 0.000 0.219 180 G HA3 -0.360 3.600 3.960 0.000 0.000 0.219 180 G C 1.488 176.388 174.900 0.001 0.000 1.141 180 G CA 1.068 46.158 45.100 -0.016 0.000 0.763 180 G HN 0.304 nan 8.290 nan 0.000 0.554 181 N N 0.171 118.884 118.700 0.020 0.000 2.188 181 N HA -0.016 4.724 4.740 0.000 0.000 0.184 181 N C 2.193 177.731 175.510 0.046 0.000 1.018 181 N CA 0.909 53.999 53.050 0.067 0.000 0.858 181 N CB -0.178 38.402 38.487 0.156 0.000 0.989 181 N HN 0.405 nan 8.380 nan 0.000 0.426 182 I N 0.006 120.605 120.570 0.048 0.000 2.179 182 I HA -0.251 3.919 4.170 0.000 0.000 0.242 182 I C 1.942 178.071 176.117 0.020 0.000 1.088 182 I CA 0.805 62.131 61.300 0.044 0.000 1.357 182 I CB -0.249 37.788 38.000 0.061 0.000 1.051 182 I HN 0.249 nan 8.210 nan 0.000 0.409 183 M N 0.504 120.118 119.600 0.022 0.000 2.159 183 M HA -0.149 4.331 4.480 0.000 0.000 0.263 183 M C 2.645 178.807 176.300 -0.230 0.000 1.063 183 M CA 1.825 57.100 55.300 -0.042 0.000 1.110 183 M CB -1.352 31.295 32.600 0.078 0.000 1.374 183 M HN 0.300 nan 8.290 nan 0.000 0.411 184 A N 0.278 123.033 122.820 -0.107 0.000 1.908 184 A HA -0.085 4.235 4.320 0.000 0.000 0.218 184 A C 2.473 179.992 177.584 -0.108 0.000 1.181 184 A CA 1.853 53.832 52.037 -0.096 0.000 0.627 184 A CB -0.985 18.009 19.000 -0.009 0.000 0.818 184 A HN 0.303 nan 8.150 nan 0.000 0.445 185 V N -0.126 119.745 119.914 -0.071 0.000 2.307 185 V HA -0.316 3.804 4.120 0.000 0.000 0.245 185 V C 2.657 178.691 176.094 -0.100 0.000 1.045 185 V CA 2.257 64.528 62.300 -0.048 0.000 1.024 185 V CB -0.960 30.859 31.823 -0.007 0.000 0.651 185 V HN 0.641 nan 8.190 nan 0.000 0.449 186 Q N -0.142 119.561 119.800 -0.162 0.000 2.050 186 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 186 Q C 2.439 178.124 176.000 -0.525 0.000 0.980 186 Q CA 1.870 57.560 55.803 -0.187 0.000 0.840 186 Q CB -0.428 28.306 28.738 -0.006 0.000 0.898 186 Q HN 0.666 nan 8.270 nan 0.000 0.424 187 A N 0.688 122.887 122.820 -1.035 0.000 1.898 187 A HA -0.201 4.119 4.320 0.000 0.000 0.216 187 A C 2.043 179.517 177.584 -0.183 0.000 1.181 187 A CA 1.569 52.931 52.037 -1.126 0.000 0.620 187 A CB -0.465 17.981 19.000 -0.924 0.000 0.819 187 A HN 0.355 nan 8.150 nan 0.000 0.442 188 M N 0.348 119.889 119.600 -0.098 0.000 2.159 188 M HA 0.005 4.485 4.480 0.000 0.000 0.263 188 M C 2.080 178.426 176.300 0.076 0.000 1.063 188 M CA 1.727 57.061 55.300 0.057 0.000 1.110 188 M CB -0.610 32.016 32.600 0.042 0.000 1.374 188 M HN 0.351 nan 8.290 nan 0.000 0.411 189 A N -1.140 121.694 122.820 0.023 0.000 1.930 189 A HA -0.182 4.138 4.320 0.000 0.000 0.217 189 A C 2.140 179.764 177.584 0.067 0.000 1.175 189 A CA 1.661 53.725 52.037 0.044 0.000 0.627 189 A CB -1.299 17.725 19.000 0.039 0.000 0.815 189 A HN 0.708 nan 8.150 nan 0.000 0.443 190 Y N -0.748 119.514 120.300 -0.064 0.000 2.133 190 Y HA -0.159 4.391 4.550 0.000 0.000 0.287 190 Y C 1.837 177.673 175.900 -0.107 0.000 1.134 190 Y CA 1.874 59.924 58.100 -0.084 0.000 1.133 190 Y CB -0.433 37.974 38.460 -0.089 0.000 0.987 190 Y HN 0.250 nan 8.280 nan 0.000 0.502 191 F N 0.599 120.561 119.950 0.021 0.000 2.407 191 F HA -0.047 4.480 4.527 0.000 0.000 0.299 191 F C 2.221 177.976 175.800 -0.075 0.000 1.097 191 F CA 1.261 59.233 58.000 -0.047 0.000 1.422 191 F CB -0.346 38.699 39.000 0.075 0.000 1.067 191 F HN -0.031 nan 8.300 nan 0.000 0.539 192 K N -0.103 120.361 120.400 0.106 0.000 2.097 192 K HA -0.204 4.116 4.320 0.000 0.000 0.205 192 K C 2.023 178.619 176.600 -0.007 0.000 1.050 192 K CA 1.475 57.794 56.287 0.054 0.000 0.938 192 K CB -0.138 32.393 32.500 0.052 0.000 0.718 192 K HN 0.067 nan 8.250 nan 0.000 0.442 193 E N 1.125 121.283 120.200 -0.069 0.000 2.106 193 E HA -0.151 4.199 4.350 0.000 0.000 0.192 193 E C 1.739 178.256 176.600 -0.137 0.000 0.984 193 E CA 0.795 57.136 56.400 -0.097 0.000 0.806 193 E CB -0.126 29.505 29.700 -0.116 0.000 0.750 193 E HN 0.050 nan 8.360 nan 0.000 0.458 194 L N 0.274 121.349 121.223 -0.246 0.000 2.093 194 L HA 0.021 4.361 4.340 0.000 0.000 0.208 194 L C 2.163 179.005 176.870 -0.046 0.000 1.085 194 L CA 1.353 56.071 54.840 -0.204 0.000 0.755 194 L CB -0.379 41.483 42.059 -0.329 0.000 0.904 194 L HN 0.270 nan 8.230 nan 0.000 0.435 195 I N -1.294 119.277 120.570 0.001 0.000 2.252 195 I HA -0.278 3.892 4.170 0.000 0.000 0.245 195 I C 2.385 178.514 176.117 0.021 0.000 1.102 195 I CA 0.783 62.104 61.300 0.035 0.000 1.385 195 I CB -0.233 37.799 38.000 0.053 0.000 1.064 195 I HN 0.333 nan 8.210 nan 0.000 0.414 196 Q N 0.809 120.615 119.800 0.009 0.000 2.124 196 Q HA -0.218 4.122 4.340 0.000 0.000 0.202 196 Q C 2.150 178.165 176.000 0.026 0.000 0.977 196 Q CA 1.483 57.295 55.803 0.014 0.000 0.850 196 Q CB -0.190 28.552 28.738 0.007 0.000 0.901 196 Q HN 0.539 nan 8.270 nan 0.000 0.429 197 K N -0.069 120.344 120.400 0.021 0.000 2.103 197 K HA -0.023 4.297 4.320 0.000 0.000 0.204 197 K C 1.998 178.646 176.600 0.081 0.000 1.052 197 K CA 0.492 56.810 56.287 0.052 0.000 0.945 197 K CB 0.110 32.617 32.500 0.012 0.000 0.722 197 K HN -0.015 nan 8.250 nan 0.000 0.443 198 R N 1.240 121.771 120.500 0.051 0.000 2.193 198 R HA 0.003 4.343 4.340 0.000 0.000 0.213 198 R C 1.796 178.121 176.300 0.041 0.000 1.055 198 R CA 0.946 57.079 56.100 0.055 0.000 0.995 198 R CB -0.089 30.238 30.300 0.046 0.000 0.893 198 R HN 0.200 nan 8.270 nan 0.000 0.459 199 K N 0.430 120.847 120.400 0.029 0.000 2.057 199 K HA -0.070 4.250 4.320 0.000 0.000 0.206 199 K C 2.130 178.718 176.600 -0.020 0.000 1.050 199 K CA 1.310 57.602 56.287 0.007 0.000 0.935 199 K CB 0.009 32.513 32.500 0.007 0.000 0.715 199 K HN 0.099 nan 8.250 nan 0.000 0.439 200 R N -0.563 119.927 120.500 -0.017 0.000 2.161 200 R HA 0.049 4.390 4.340 0.000 0.000 0.213 200 R C 0.397 176.497 176.300 -0.334 0.000 1.055 200 R CA 0.701 56.726 56.100 -0.126 0.000 0.996 200 R CB 0.190 30.464 30.300 -0.043 0.000 0.901 200 R HN 0.223 nan 8.270 nan 0.000 0.456 201 H N 0.489 119.559 119.070 0.000 0.000 2.607 201 H HA 0.280 4.836 4.556 0.000 0.000 0.248 201 H C -2.522 172.807 175.328 0.002 0.000 1.355 201 H CA -2.276 53.773 56.048 0.001 0.000 1.524 201 H CB 1.291 31.053 29.762 0.000 0.000 1.563 201 H HN -0.065 nan 8.280 nan 0.000 0.509 202 P HA -0.006 nan 4.420 nan 0.000 0.268 202 P C 0.335 177.665 177.300 0.049 0.000 1.204 202 P CA 0.143 63.268 63.100 0.043 0.000 0.768 202 P CB 1.145 32.854 31.700 0.015 0.000 0.842 203 Q N 1.699 121.523 119.800 0.040 0.000 2.699 203 Q HA 0.306 4.646 4.340 0.000 0.000 0.240 203 Q C 0.017 176.028 176.000 0.018 0.000 1.033 203 Q CA -0.641 55.180 55.803 0.031 0.000 0.938 203 Q CB 0.731 29.487 28.738 0.031 0.000 1.312 203 Q HN 0.386 nan 8.270 nan 0.000 0.507 204 Q N 1.491 121.298 119.800 0.011 0.000 3.041 204 Q HA 0.148 4.488 4.340 0.000 0.000 0.372 204 Q C -1.055 174.946 176.000 0.002 0.000 1.241 204 Q CA -0.173 55.632 55.803 0.003 0.000 1.010 204 Q CB 0.172 28.908 28.738 -0.003 0.000 1.467 204 Q HN 0.371 nan 8.270 nan 0.000 0.462 205 D N -1.669 118.736 120.400 0.008 0.000 2.614 205 D HA 0.123 4.763 4.640 0.000 0.000 0.264 205 D C 0.545 176.849 176.300 0.008 0.000 1.092 205 D CA -0.880 53.125 54.000 0.008 0.000 1.071 205 D CB 0.398 41.213 40.800 0.025 0.000 1.443 205 D HN -0.000 nan 8.370 nan 0.000 0.528 206 M N 0.040 119.644 119.600 0.007 0.000 2.080 206 M HA -0.013 4.468 4.480 0.000 0.000 0.260 206 M C 1.505 177.822 176.300 0.028 0.000 1.068 206 M CA 1.691 56.995 55.300 0.006 0.000 1.109 206 M CB -0.571 32.038 32.600 0.015 0.000 1.342 206 M HN 0.529 nan 8.290 nan 0.000 0.405 207 I N -0.533 120.069 120.570 0.053 0.000 2.118 207 I HA -0.359 3.811 4.170 0.000 0.000 0.241 207 I C 2.236 178.377 176.117 0.041 0.000 1.070 207 I CA 1.747 63.083 61.300 0.061 0.000 1.327 207 I CB -0.842 37.217 38.000 0.097 0.000 1.034 207 I HN 0.329 nan 8.210 nan 0.000 0.405 208 S N 0.377 116.097 115.700 0.035 0.000 2.368 208 S HA -0.210 4.260 4.470 0.000 0.000 0.225 208 S C 2.000 176.608 174.600 0.014 0.000 1.030 208 S CA 1.509 59.723 58.200 0.024 0.000 0.999 208 S CB -0.366 62.847 63.200 0.022 0.000 0.844 208 S HN 0.427 nan 8.310 nan 0.000 0.459 209 M N 1.055 120.661 119.600 0.010 0.000 2.149 209 M HA -0.092 4.388 4.480 0.000 0.000 0.261 209 M C 1.683 177.986 176.300 0.006 0.000 1.064 209 M CA 1.495 56.796 55.300 0.002 0.000 1.102 209 M CB -0.273 32.323 32.600 -0.006 0.000 1.369 209 M HN 0.276 nan 8.290 nan 0.000 0.408 210 L N -0.095 121.135 121.223 0.012 0.000 2.156 210 L HA -0.177 4.163 4.340 0.000 0.000 0.208 210 L C 2.238 179.114 176.870 0.010 0.000 1.095 210 L CA 0.760 55.607 54.840 0.012 0.000 0.770 210 L CB -0.515 41.553 42.059 0.016 0.000 0.914 210 L HN 0.374 nan 8.230 nan 0.000 0.439 211 L N -0.220 121.011 121.223 0.013 0.000 2.201 211 L HA -0.134 4.206 4.340 0.000 0.000 0.212 211 L C 1.536 178.410 176.870 0.006 0.000 1.105 211 L CA 0.922 55.769 54.840 0.012 0.000 0.775 211 L CB -0.286 41.782 42.059 0.015 0.000 0.913 211 L HN 0.366 nan 8.230 nan 0.000 0.440 212 K N -0.946 119.456 120.400 0.003 0.000 2.247 212 K HA 0.667 4.987 4.320 0.000 0.000 0.264 212 K C 0.788 177.387 176.600 -0.002 0.000 1.034 212 K CA -0.209 56.078 56.287 -0.000 0.000 1.129 212 K CB -0.381 32.117 32.500 -0.002 0.000 1.646 212 K HN -0.083 nan 8.250 nan 0.000 0.738 213 G N 0.185 108.982 108.800 -0.005 0.000 2.606 213 G HA2 -0.284 3.677 3.960 0.000 0.000 0.285 213 G HA3 -0.284 3.677 3.960 0.000 0.000 0.285 213 G C -0.764 174.132 174.900 -0.007 0.000 1.311 213 G CA 0.043 45.139 45.100 -0.006 0.000 0.922 213 G HN 0.502 nan 8.290 nan 0.000 0.559 214 R N 0.428 120.923 120.500 -0.009 0.000 2.335 214 R HA 0.418 4.758 4.340 0.000 0.000 0.302 214 R C 0.603 176.896 176.300 -0.012 0.000 1.147 214 R CA 0.137 56.230 56.100 -0.011 0.000 1.111 214 R CB 0.888 31.181 30.300 -0.013 0.000 1.122 214 R HN 0.760 nan 8.270 nan 0.000 0.557 215 E N 0.820 121.014 120.200 -0.011 0.000 3.045 215 E HA -0.332 4.018 4.350 0.000 0.000 0.350 215 E C 0.354 176.948 176.600 -0.010 0.000 1.445 215 E CA 2.508 58.902 56.400 -0.011 0.000 1.442 215 E CB -0.525 29.167 29.700 -0.012 0.000 1.762 215 E HN 0.663 nan 8.360 nan 0.000 0.524 216 K N 1.347 121.741 120.400 -0.011 0.000 2.589 216 K HA 0.090 4.410 4.320 0.000 0.000 0.192 216 K C -0.490 176.103 176.600 -0.012 0.000 1.029 216 K CA 1.079 57.360 56.287 -0.011 0.000 1.031 216 K CB 0.064 32.557 32.500 -0.012 0.000 0.821 216 K HN 0.101 nan 8.250 nan 0.000 0.502 217 D N 1.562 121.955 120.400 -0.013 0.000 2.391 217 D HA 0.328 4.968 4.640 0.000 0.000 0.245 217 D C -0.779 175.515 176.300 -0.010 0.000 1.069 217 D CA -0.377 53.614 54.000 -0.014 0.000 0.831 217 D CB 1.844 42.631 40.800 -0.022 0.000 1.204 217 D HN 0.048 nan 8.370 nan 0.000 0.503 218 K N 1.073 121.469 120.400 -0.007 0.000 2.482 218 K HA 0.602 4.922 4.320 0.000 0.000 0.257 218 K C -1.259 175.340 176.600 -0.001 0.000 0.969 218 K CA -0.912 55.373 56.287 -0.003 0.000 0.842 218 K CB 2.318 34.818 32.500 -0.001 0.000 1.359 218 K HN 0.071 nan 8.250 nan 0.000 0.441 219 L N 0.982 122.207 121.223 0.003 0.000 2.354 219 L HA 0.404 4.744 4.340 0.000 0.000 0.269 219 L C 0.074 176.951 176.870 0.011 0.000 1.005 219 L CA -0.270 54.573 54.840 0.006 0.000 0.819 219 L CB 1.971 44.032 42.059 0.004 0.000 1.311 219 L HN 0.854 nan 8.230 nan 0.000 0.423 220 T N -1.725 112.839 114.554 0.016 0.000 2.828 220 T HA 0.217 4.567 4.350 0.000 0.000 0.290 220 T C 0.853 175.568 174.700 0.026 0.000 1.019 220 T CA -0.325 61.789 62.100 0.024 0.000 1.031 220 T CB 0.590 69.477 68.868 0.033 0.000 1.001 220 T HN 0.655 nan 8.240 nan 0.000 0.531 221 E N 0.123 120.342 120.200 0.032 0.000 2.204 221 E HA -0.110 4.241 4.350 0.000 0.000 0.194 221 E C 2.067 178.694 176.600 0.045 0.000 0.989 221 E CA 0.903 57.325 56.400 0.036 0.000 0.824 221 E CB 0.072 29.795 29.700 0.037 0.000 0.756 221 E HN 0.747 nan 8.360 nan 0.000 0.477 222 E N 0.655 120.888 120.200 0.054 0.000 2.112 222 E HA -0.135 4.215 4.350 0.000 0.000 0.190 222 E C 1.789 178.403 176.600 0.022 0.000 0.979 222 E CA 0.542 56.981 56.400 0.066 0.000 0.814 222 E CB 0.115 29.892 29.700 0.127 0.000 0.762 222 E HN 0.281 nan 8.360 nan 0.000 0.460 223 E N 0.595 120.803 120.200 0.013 0.000 2.106 223 E HA -0.148 4.202 4.350 0.000 0.000 0.192 223 E C 1.995 178.587 176.600 -0.014 0.000 0.984 223 E CA 0.801 57.197 56.400 -0.007 0.000 0.806 223 E CB -0.011 29.690 29.700 0.001 0.000 0.750 223 E HN 0.169 nan 8.360 nan 0.000 0.458 224 A N 1.324 124.141 122.820 -0.004 0.000 1.898 224 A HA -0.050 4.270 4.320 0.000 0.000 0.216 224 A C 2.354 179.908 177.584 -0.051 0.000 1.181 224 A CA 1.486 53.515 52.037 -0.013 0.000 0.620 224 A CB -0.492 18.514 19.000 0.009 0.000 0.819 224 A HN 0.286 nan 8.150 nan 0.000 0.442 225 A N -0.642 122.158 122.820 -0.033 0.000 1.898 225 A HA -0.046 4.274 4.320 0.000 0.000 0.216 225 A C 2.426 179.908 177.584 -0.171 0.000 1.181 225 A CA 1.975 53.966 52.037 -0.077 0.000 0.620 225 A CB -0.824 18.212 19.000 0.060 0.000 0.819 225 A HN 0.425 nan 8.150 nan 0.000 0.442 226 S N -0.415 115.233 115.700 -0.087 0.000 2.382 226 S HA -0.120 4.350 4.470 0.000 0.000 0.228 226 S C 2.035 176.581 174.600 -0.090 0.000 1.027 226 S CA 1.741 59.894 58.200 -0.078 0.000 0.991 226 S CB -0.471 62.697 63.200 -0.055 0.000 0.823 226 S HN 0.715 nan 8.310 nan 0.000 0.469 227 T N 1.217 115.720 114.554 -0.085 0.000 2.708 227 T HA -0.122 4.228 4.350 0.000 0.000 0.266 227 T C 2.044 176.679 174.700 -0.107 0.000 1.037 227 T CA 1.365 63.427 62.100 -0.064 0.000 1.146 227 T CB -0.594 68.256 68.868 -0.030 0.000 0.865 227 T HN 0.452 nan 8.240 nan 0.000 0.435 228 C N 0.874 120.033 119.300 -0.235 0.000 2.429 228 C HA 0.029 4.489 4.460 0.000 0.000 0.277 228 C C 2.672 177.427 174.990 -0.392 0.000 1.262 228 C CA 0.162 58.951 59.018 -0.382 0.000 1.733 228 C CB -1.280 25.977 27.740 -0.805 0.000 2.010 228 C HN 0.540 nan 8.230 nan 0.000 0.483 229 I N 0.408 120.725 120.570 -0.422 0.000 2.226 229 I HA -0.203 3.968 4.170 0.000 0.000 0.245 229 I C 2.481 178.590 176.117 -0.014 0.000 1.100 229 I CA 1.176 62.385 61.300 -0.152 0.000 1.374 229 I CB -0.527 37.424 38.000 -0.082 0.000 1.057 229 I HN 0.281 nan 8.210 nan 0.000 0.413 230 L N 0.889 122.097 121.223 -0.024 0.000 2.012 230 L HA -0.201 4.139 4.340 0.000 0.000 0.210 230 L C 2.269 179.158 176.870 0.031 0.000 1.073 230 L CA 1.935 56.784 54.840 0.014 0.000 0.748 230 L CB -0.513 41.542 42.059 -0.007 0.000 0.891 230 L HN 0.140 nan 8.230 nan 0.000 0.431 231 L N -0.784 120.457 121.223 0.029 0.000 2.093 231 L HA -0.107 4.234 4.340 0.000 0.000 0.208 231 L C 2.669 179.622 176.870 0.137 0.000 1.085 231 L CA 0.962 55.847 54.840 0.076 0.000 0.755 231 L CB -0.976 41.166 42.059 0.138 0.000 0.904 231 L HN 0.377 nan 8.230 nan 0.000 0.435 232 A N 0.522 123.439 122.820 0.161 0.000 1.902 232 A HA -0.154 4.166 4.320 0.000 0.000 0.217 232 A C 2.215 179.996 177.584 0.327 0.000 1.181 232 A CA 1.412 53.626 52.037 0.294 0.000 0.623 232 A CB -0.564 18.622 19.000 0.311 0.000 0.818 232 A HN 0.329 nan 8.150 nan 0.000 0.443 233 I N -0.259 120.425 120.570 0.190 0.000 2.202 233 I HA -0.254 3.916 4.170 0.000 0.000 0.242 233 I C 2.960 179.157 176.117 0.132 0.000 1.091 233 I CA 1.088 62.478 61.300 0.150 0.000 1.368 233 I CB -0.376 37.682 38.000 0.098 0.000 1.058 233 I HN 0.336 nan 8.210 nan 0.000 0.410 234 A N 0.783 123.664 122.820 0.102 0.000 1.972 234 A HA -0.121 4.199 4.320 0.000 0.000 0.219 234 A C 2.353 179.987 177.584 0.084 0.000 1.169 234 A CA 1.913 53.996 52.037 0.077 0.000 0.635 234 A CB -1.255 17.773 19.000 0.047 0.000 0.810 234 A HN 0.496 nan 8.150 nan 0.000 0.446 235 G N -2.459 106.403 108.800 0.104 0.000 2.551 235 G HA2 0.013 3.973 3.960 0.000 0.000 0.216 235 G HA3 0.013 3.973 3.960 0.000 0.000 0.216 235 G C 1.236 176.117 174.900 -0.032 0.000 1.137 235 G CA 0.869 45.993 45.100 0.040 0.000 0.798 235 G HN 0.690 nan 8.290 nan 0.000 0.536 236 H N -0.987 118.123 119.070 0.066 0.000 2.595 236 H HA 0.254 4.810 4.556 0.000 0.000 0.265 236 H C 2.035 177.425 175.328 0.103 0.000 0.953 236 H CA 0.678 56.789 56.048 0.106 0.000 1.197 236 H CB 0.721 30.572 29.762 0.148 0.000 1.438 236 H HN 0.190 nan 8.280 nan 0.000 0.531 237 E N -0.760 119.522 120.200 0.136 0.000 2.476 237 E HA 0.002 4.352 4.350 0.000 0.000 0.193 237 E C 2.206 178.814 176.600 0.013 0.000 0.966 237 E CA 1.372 57.792 56.400 0.033 0.000 1.114 237 E CB -0.418 29.222 29.700 -0.099 0.000 1.151 237 E HN 0.411 nan 8.360 nan 0.000 0.487 238 T N 0.006 114.571 114.554 0.017 0.000 2.777 238 T HA -0.080 4.271 4.350 0.000 0.000 0.266 238 T C 2.048 176.802 174.700 0.089 0.000 1.040 238 T CA 1.831 63.977 62.100 0.076 0.000 1.141 238 T CB -0.727 68.223 68.868 0.137 0.000 0.868 238 T HN -0.049 nan 8.240 nan 0.000 0.444 239 T N 2.039 116.640 114.554 0.078 0.000 2.746 239 T HA -0.048 4.302 4.350 0.000 0.000 0.267 239 T C 2.170 176.896 174.700 0.044 0.000 1.039 239 T CA 1.210 63.349 62.100 0.064 0.000 1.142 239 T CB -0.665 68.223 68.868 0.032 0.000 0.866 239 T HN 0.239 nan 8.240 nan 0.000 0.444 240 V N 2.584 122.525 119.914 0.046 0.000 2.343 240 V HA -0.200 3.920 4.120 0.000 0.000 0.247 240 V C 2.415 178.546 176.094 0.062 0.000 1.051 240 V CA 1.569 63.903 62.300 0.057 0.000 1.036 240 V CB -0.710 31.179 31.823 0.110 0.000 0.654 240 V HN 0.435 nan 8.190 nan 0.000 0.451 241 N N 0.194 118.936 118.700 0.070 0.000 2.104 241 N HA -0.163 4.578 4.740 0.000 0.000 0.190 241 N C 1.643 177.195 175.510 0.069 0.000 1.024 241 N CA 1.422 54.520 53.050 0.081 0.000 0.853 241 N CB -0.648 37.902 38.487 0.105 0.000 1.008 241 N HN 0.401 nan 8.380 nan 0.000 0.424 242 L N 1.250 122.512 121.223 0.065 0.000 2.017 242 L HA -0.028 4.313 4.340 0.000 0.000 0.208 242 L C 1.937 178.836 176.870 0.048 0.000 1.073 242 L CA 1.364 56.236 54.840 0.054 0.000 0.745 242 L CB -0.663 41.438 42.059 0.071 0.000 0.894 242 L HN 0.126 nan 8.230 nan 0.000 0.432 243 I N -0.620 119.976 120.570 0.043 0.000 2.142 243 I HA -0.320 3.850 4.170 0.000 0.000 0.240 243 I C 2.583 178.731 176.117 0.052 0.000 1.078 243 I CA 1.601 62.926 61.300 0.041 0.000 1.343 243 I CB -0.641 37.360 38.000 0.002 0.000 1.046 243 I HN 0.471 nan 8.210 nan 0.000 0.405 244 S N 0.946 116.675 115.700 0.048 0.000 2.368 244 S HA -0.142 4.328 4.470 0.000 0.000 0.224 244 S C 1.806 176.405 174.600 -0.001 0.000 1.029 244 S CA 1.208 59.429 58.200 0.035 0.000 0.988 244 S CB -0.618 62.603 63.200 0.035 0.000 0.838 244 S HN 0.368 nan 8.310 nan 0.000 0.462 245 N N 2.130 120.839 118.700 0.014 0.000 2.166 245 N HA 0.017 4.757 4.740 0.000 0.000 0.186 245 N C 1.900 177.391 175.510 -0.032 0.000 1.019 245 N CA 1.514 54.565 53.050 0.002 0.000 0.856 245 N CB -0.774 37.741 38.487 0.046 0.000 0.993 245 N HN 0.500 nan 8.380 nan 0.000 0.426 246 S N -0.024 115.674 115.700 -0.003 0.000 2.368 246 S HA -0.023 4.447 4.470 0.000 0.000 0.224 246 S C 2.211 176.800 174.600 -0.018 0.000 1.029 246 S CA 0.573 58.774 58.200 0.003 0.000 0.988 246 S CB -0.210 63.017 63.200 0.046 0.000 0.838 246 S HN 0.078 nan 8.310 nan 0.000 0.462 247 V N 1.926 121.834 119.914 -0.010 0.000 2.295 247 V HA -0.127 3.993 4.120 0.000 0.000 0.246 247 V C 2.263 178.304 176.094 -0.089 0.000 1.049 247 V CA 1.536 63.824 62.300 -0.021 0.000 1.024 247 V CB -0.634 31.195 31.823 0.011 0.000 0.648 247 V HN 0.367 nan 8.190 nan 0.000 0.447 248 L N -0.246 120.888 121.223 -0.148 0.000 2.046 248 L HA -0.169 4.172 4.340 0.000 0.000 0.208 248 L C 2.409 179.102 176.870 -0.296 0.000 1.077 248 L CA 2.175 56.842 54.840 -0.289 0.000 0.747 248 L CB -0.966 40.854 42.059 -0.398 0.000 0.896 248 L HN 0.421 nan 8.230 nan 0.000 0.432 249 C N -0.771 118.385 119.300 -0.240 0.000 2.429 249 C HA -0.138 4.322 4.460 0.000 0.000 0.277 249 C C 2.755 177.607 174.990 -0.230 0.000 1.262 249 C CA 0.990 59.822 59.018 -0.309 0.000 1.733 249 C CB -1.051 26.407 27.740 -0.469 0.000 2.010 249 C HN 0.617 nan 8.230 nan 0.000 0.483 250 L N -0.065 121.087 121.223 -0.119 0.000 2.109 250 L HA -0.081 4.259 4.340 0.000 0.000 0.207 250 L C 2.427 179.308 176.870 0.018 0.000 1.086 250 L CA 1.197 56.057 54.840 0.034 0.000 0.760 250 L CB -0.426 41.672 42.059 0.064 0.000 0.910 250 L HN 0.361 nan 8.230 nan 0.000 0.437 251 L N -1.033 120.154 121.223 -0.059 0.000 2.217 251 L HA -0.145 4.196 4.340 0.000 0.000 0.211 251 L C 2.394 179.200 176.870 -0.106 0.000 1.107 251 L CA 0.844 55.645 54.840 -0.065 0.000 0.783 251 L CB -0.254 41.757 42.059 -0.080 0.000 0.919 251 L HN 0.319 nan 8.230 nan 0.000 0.442 252 Q N -0.867 118.807 119.800 -0.209 0.000 2.432 252 Q HA -0.047 4.293 4.340 0.000 0.000 0.205 252 Q C -0.168 175.527 176.000 -0.509 0.000 0.945 252 Q CA 0.606 56.202 55.803 -0.346 0.000 0.924 252 Q CB 0.301 28.753 28.738 -0.477 0.000 1.016 252 Q HN 0.581 nan 8.270 nan 0.000 0.503 253 H N -1.289 117.743 119.070 -0.065 0.000 2.423 253 H HA 0.169 4.725 4.556 0.000 0.000 0.237 253 H C -2.007 173.342 175.328 0.036 0.000 1.391 253 H CA -1.952 54.103 56.048 0.011 0.000 1.453 253 H CB 0.976 30.791 29.762 0.088 0.000 1.484 253 H HN 0.037 nan 8.280 nan 0.000 0.505 254 P HA -0.235 nan 4.420 nan 0.000 0.218 254 P C 1.714 179.055 177.300 0.069 0.000 1.148 254 P CA 1.166 64.302 63.100 0.060 0.000 0.822 254 P CB 0.492 32.212 31.700 0.034 0.000 0.784 255 E N 0.075 120.323 120.200 0.080 0.000 2.153 255 E HA -0.220 4.130 4.350 0.000 0.000 0.194 255 E C 1.553 178.185 176.600 0.053 0.000 0.988 255 E CA 1.288 57.723 56.400 0.058 0.000 0.811 255 E CB -0.936 28.796 29.700 0.053 0.000 0.746 255 E HN 0.286 nan 8.360 nan 0.000 0.466 256 Q N 0.625 120.479 119.800 0.091 0.000 2.137 256 Q HA 0.066 4.406 4.340 0.000 0.000 0.198 256 Q C 2.510 178.551 176.000 0.069 0.000 0.960 256 Q CA 0.640 56.481 55.803 0.063 0.000 0.847 256 Q CB -0.335 28.473 28.738 0.117 0.000 0.915 256 Q HN 0.351 nan 8.270 nan 0.000 0.448 257 L N 0.487 121.767 121.223 0.095 0.000 2.017 257 L HA -0.169 4.172 4.340 0.000 0.000 0.208 257 L C 2.215 179.109 176.870 0.040 0.000 1.073 257 L CA 0.848 55.730 54.840 0.069 0.000 0.745 257 L CB -0.288 41.809 42.059 0.062 0.000 0.894 257 L HN 0.163 nan 8.230 nan 0.000 0.432 258 L N 0.212 121.456 121.223 0.034 0.000 2.083 258 L HA -0.251 4.089 4.340 0.000 0.000 0.209 258 L C 2.513 179.392 176.870 0.015 0.000 1.083 258 L CA 1.920 56.773 54.840 0.022 0.000 0.752 258 L CB -0.718 41.354 42.059 0.021 0.000 0.899 258 L HN 0.275 nan 8.230 nan 0.000 0.433 259 K N -0.981 119.426 120.400 0.012 0.000 2.032 259 K HA -0.225 4.095 4.320 0.000 0.000 0.209 259 K C 2.126 178.725 176.600 -0.001 0.000 1.048 259 K CA 1.854 58.141 56.287 -0.001 0.000 0.927 259 K CB -0.322 32.169 32.500 -0.015 0.000 0.712 259 K HN 0.310 nan 8.250 nan 0.000 0.441 260 L N 1.655 122.882 121.223 0.006 0.000 2.056 260 L HA -0.111 4.229 4.340 0.000 0.000 0.207 260 L C 2.173 179.050 176.870 0.011 0.000 1.078 260 L CA 1.489 56.334 54.840 0.008 0.000 0.749 260 L CB -0.431 41.640 42.059 0.021 0.000 0.901 260 L HN 0.120 nan 8.230 nan 0.000 0.433 261 R N -0.199 120.309 120.500 0.013 0.000 2.096 261 R HA -0.197 4.143 4.340 0.000 0.000 0.240 261 R C 2.034 178.339 176.300 0.008 0.000 1.139 261 R CA 2.130 58.237 56.100 0.011 0.000 0.952 261 R CB -0.376 29.931 30.300 0.012 0.000 0.854 261 R HN 0.561 nan 8.270 nan 0.000 0.436 262 E N -0.509 119.695 120.200 0.007 0.000 2.371 262 E HA -0.025 4.326 4.350 0.000 0.000 0.194 262 E C 0.404 177.007 176.600 0.004 0.000 1.012 262 E CA 0.232 56.636 56.400 0.005 0.000 0.860 262 E CB 0.105 29.808 29.700 0.004 0.000 0.811 262 E HN 0.263 nan 8.360 nan 0.000 0.502 263 N N 0.531 119.233 118.700 0.003 0.000 2.727 263 N HA 0.111 4.852 4.740 0.000 0.000 0.252 263 N C -2.437 173.076 175.510 0.005 0.000 1.283 263 N CA -1.714 51.337 53.050 0.002 0.000 0.782 263 N CB 1.056 39.542 38.487 -0.002 0.000 1.199 263 N HN -0.213 nan 8.380 nan 0.000 0.520 264 P HA -0.047 nan 4.420 nan 0.000 0.225 264 P C 0.344 177.652 177.300 0.013 0.000 1.148 264 P CA 0.846 63.954 63.100 0.013 0.000 0.779 264 P CB 0.308 32.017 31.700 0.015 0.000 0.780 265 D N -1.164 119.242 120.400 0.010 0.000 2.371 265 D HA -0.001 4.639 4.640 0.000 0.000 0.221 265 D C 1.534 177.839 176.300 0.008 0.000 0.986 265 D CA 0.553 54.559 54.000 0.011 0.000 0.899 265 D CB -0.321 40.484 40.800 0.008 0.000 0.902 265 D HN 0.236 nan 8.370 nan 0.000 0.530 266 L N 0.251 121.476 121.223 0.004 0.000 2.599 266 L HA 0.004 4.344 4.340 0.000 0.000 0.230 266 L C 1.954 178.826 176.870 0.003 0.000 1.141 266 L CA -0.199 54.639 54.840 -0.004 0.000 0.877 266 L CB 0.065 42.115 42.059 -0.016 0.000 1.009 266 L HN -0.025 nan 8.230 nan 0.000 0.447 267 I N 0.358 120.937 120.570 0.015 0.000 2.286 267 I HA -0.170 4.001 4.170 0.000 0.000 0.248 267 I C 2.243 178.381 176.117 0.036 0.000 1.115 267 I CA 1.516 62.833 61.300 0.027 0.000 1.392 267 I CB -0.521 37.498 38.000 0.032 0.000 1.065 267 I HN 0.134 nan 8.210 nan 0.000 0.418 268 G N -1.337 107.484 108.800 0.035 0.000 2.480 268 G HA2 -0.335 3.625 3.960 0.000 0.000 0.216 268 G HA3 -0.335 3.625 3.960 0.000 0.000 0.216 268 G C 1.690 176.620 174.900 0.050 0.000 1.200 268 G CA 1.306 46.435 45.100 0.048 0.000 0.782 268 G HN 0.405 nan 8.290 nan 0.000 0.554 269 T N 0.621 115.190 114.554 0.026 0.000 2.915 269 T HA 0.170 4.520 4.350 0.000 0.000 0.269 269 T C 2.599 177.290 174.700 -0.016 0.000 1.071 269 T CA 1.835 63.943 62.100 0.012 0.000 1.132 269 T CB -0.382 68.479 68.868 -0.012 0.000 0.878 269 T HN 0.307 nan 8.240 nan 0.000 0.479 270 A N 0.412 123.220 122.820 -0.019 0.000 1.898 270 A HA 0.068 4.389 4.320 0.000 0.000 0.216 270 A C 2.511 180.112 177.584 0.027 0.000 1.181 270 A CA 1.468 53.485 52.037 -0.034 0.000 0.620 270 A CB -0.904 18.092 19.000 -0.007 0.000 0.819 270 A HN 0.420 nan 8.150 nan 0.000 0.442 271 V N 0.434 120.381 119.914 0.055 0.000 2.490 271 V HA -0.189 3.931 4.120 0.000 0.000 0.250 271 V C 2.518 178.654 176.094 0.071 0.000 1.061 271 V CA 2.041 64.388 62.300 0.078 0.000 1.064 271 V CB -0.646 31.233 31.823 0.094 0.000 0.670 271 V HN 0.499 nan 8.190 nan 0.000 0.461 272 E N -0.034 120.217 120.200 0.085 0.000 2.106 272 E HA -0.229 4.121 4.350 0.000 0.000 0.192 272 E C 2.192 178.788 176.600 -0.007 0.000 0.984 272 E CA 1.311 57.779 56.400 0.112 0.000 0.806 272 E CB -0.138 29.680 29.700 0.197 0.000 0.750 272 E HN 0.680 nan 8.360 nan 0.000 0.458 273 E N 0.227 120.417 120.200 -0.016 0.000 2.152 273 E HA -0.079 4.271 4.350 0.000 0.000 0.192 273 E C 1.970 178.630 176.600 0.099 0.000 0.983 273 E CA 0.765 57.131 56.400 -0.057 0.000 0.818 273 E CB -0.254 29.290 29.700 -0.260 0.000 0.758 273 E HN 0.136 nan 8.360 nan 0.000 0.467 274 C N 0.029 119.424 119.300 0.158 0.000 2.429 274 C HA -0.027 4.433 4.460 0.000 0.000 0.277 274 C C 2.545 177.541 174.990 0.009 0.000 1.262 274 C CA 0.505 59.628 59.018 0.176 0.000 1.733 274 C CB -1.058 26.760 27.740 0.129 0.000 2.010 274 C HN 0.455 nan 8.230 nan 0.000 0.483 275 L N 0.316 121.461 121.223 -0.130 0.000 2.046 275 L HA -0.159 4.182 4.340 0.000 0.000 0.208 275 L C 2.915 179.529 176.870 -0.426 0.000 1.077 275 L CA 1.546 56.175 54.840 -0.352 0.000 0.747 275 L CB -0.628 41.074 42.059 -0.595 0.000 0.896 275 L HN 0.338 nan 8.230 nan 0.000 0.432 276 R N -1.186 119.069 120.500 -0.409 0.000 2.075 276 R HA -0.212 4.129 4.340 0.000 0.000 0.232 276 R C 2.377 178.583 176.300 -0.157 0.000 1.126 276 R CA 1.610 57.533 56.100 -0.294 0.000 0.963 276 R CB -0.250 29.885 30.300 -0.274 0.000 0.858 276 R HN 0.261 nan 8.270 nan 0.000 0.435 277 Y N 0.596 120.785 120.300 -0.185 0.000 2.269 277 Y HA 0.064 4.614 4.550 0.000 0.000 0.294 277 Y C 0.296 176.089 175.900 -0.178 0.000 1.120 277 Y CA 0.901 58.894 58.100 -0.179 0.000 1.159 277 Y CB 0.754 39.203 38.460 -0.018 0.000 1.024 277 Y HN -0.058 nan 8.280 nan 0.000 0.532 278 E N 0.764 120.959 120.200 -0.009 0.000 3.303 278 E HA 0.215 4.566 4.350 0.000 0.000 0.215 278 E C -0.802 175.800 176.600 0.003 0.000 1.181 278 E CA -0.150 56.254 56.400 0.007 0.000 0.998 278 E CB 0.736 30.463 29.700 0.045 0.000 1.312 278 E HN 0.067 nan 8.360 nan 0.000 0.412 279 S N 2.612 118.299 115.700 -0.021 0.000 2.515 279 S HA 0.056 4.527 4.470 0.000 0.000 0.285 279 S C -1.443 173.153 174.600 -0.006 0.000 1.265 279 S CA -0.833 57.330 58.200 -0.063 0.000 1.079 279 S CB 0.656 63.808 63.200 -0.079 0.000 0.877 279 S HN 0.197 nan 8.310 nan 0.000 0.493 280 P HA -0.064 nan 4.420 nan 0.000 0.216 280 P C 0.239 177.653 177.300 0.189 0.000 1.150 280 P CA 1.094 64.255 63.100 0.102 0.000 0.843 280 P CB 0.003 31.755 31.700 0.088 0.000 0.787 281 T N 0.977 115.587 114.554 0.093 0.000 2.743 281 T HA 0.180 4.530 4.350 0.000 0.000 0.292 281 T C 0.880 175.508 174.700 -0.119 0.000 0.972 281 T CA -0.374 61.724 62.100 -0.002 0.000 0.967 281 T CB 1.048 69.924 68.868 0.014 0.000 0.926 281 T HN -0.029 nan 8.240 nan 0.000 0.459 282 Q N 2.032 121.710 119.800 -0.203 0.000 2.402 282 Q HA 0.278 4.619 4.340 0.000 0.000 0.206 282 Q C 0.268 176.145 176.000 -0.204 0.000 0.919 282 Q CA 0.506 56.214 55.803 -0.158 0.000 0.923 282 Q CB 0.573 29.248 28.738 -0.106 0.000 1.048 282 Q HN 0.647 nan 8.270 nan 0.000 0.515 283 M N -0.360 119.076 119.600 -0.273 0.000 2.371 283 M HA 0.361 4.841 4.480 0.000 0.000 0.287 283 M C -1.451 174.736 176.300 -0.188 0.000 1.149 283 M CA -0.071 55.096 55.300 -0.221 0.000 0.929 283 M CB 2.558 34.996 32.600 -0.269 0.000 1.683 283 M HN -0.123 nan 8.290 nan 0.000 0.470 284 T N 2.082 116.582 114.554 -0.090 0.000 2.831 284 T HA 0.988 5.338 4.350 0.000 0.000 0.287 284 T C -1.795 172.917 174.700 0.019 0.000 1.070 284 T CA -0.258 61.823 62.100 -0.032 0.000 1.010 284 T CB 1.921 70.767 68.868 -0.037 0.000 1.264 284 T HN 0.911 nan 8.240 nan 0.000 0.532 285 A N 1.658 124.492 122.820 0.024 0.000 2.539 285 A HA 0.927 5.247 4.320 0.000 0.000 0.296 285 A C -1.139 176.403 177.584 -0.070 0.000 1.073 285 A CA -0.768 51.253 52.037 -0.027 0.000 0.700 285 A CB 1.537 20.583 19.000 0.076 0.000 1.296 285 A HN 0.639 nan 8.150 nan 0.000 0.405 286 R N -0.214 120.206 120.500 -0.133 0.000 2.836 286 R HA 0.722 5.063 4.340 0.000 0.000 0.269 286 R C -1.623 174.665 176.300 -0.021 0.000 1.010 286 R CA -0.730 55.347 56.100 -0.038 0.000 0.930 286 R CB 1.759 32.068 30.300 0.015 0.000 1.218 286 R HN 0.765 nan 8.270 nan 0.000 0.473 287 V N 0.621 120.569 119.914 0.058 0.000 2.604 287 V HA 0.679 4.799 4.120 0.000 0.000 0.305 287 V C -0.598 175.553 176.094 0.094 0.000 1.043 287 V CA -0.722 61.617 62.300 0.064 0.000 0.888 287 V CB 1.764 33.603 31.823 0.027 0.000 0.995 287 V HN 0.884 nan 8.190 nan 0.000 0.429 288 A N 4.321 127.187 122.820 0.076 0.000 2.451 288 A HA 0.452 4.772 4.320 0.000 0.000 0.266 288 A C 1.215 178.735 177.584 -0.106 0.000 1.119 288 A CA 0.459 52.433 52.037 -0.105 0.000 0.786 288 A CB 0.427 19.365 19.000 -0.103 0.000 1.061 288 A HN 1.568 nan 8.150 nan 0.000 0.503 289 S N 1.390 116.997 115.700 -0.155 0.000 2.527 289 S HA 0.113 4.583 4.470 0.000 0.000 0.222 289 S C 0.434 174.973 174.600 -0.101 0.000 0.985 289 S CA 0.590 58.732 58.200 -0.097 0.000 0.921 289 S CB -0.402 62.748 63.200 -0.084 0.000 0.772 289 S HN 0.914 nan 8.310 nan 0.000 0.529 290 E N -0.540 119.571 120.200 -0.149 0.000 2.439 290 E HA 0.371 4.721 4.350 0.000 0.000 0.279 290 E C -2.186 174.331 176.600 -0.139 0.000 1.077 290 E CA -1.142 55.187 56.400 -0.118 0.000 0.849 290 E CB -0.154 29.480 29.700 -0.109 0.000 1.408 290 E HN -0.119 nan 8.360 nan 0.000 0.457 291 D N 0.731 121.075 120.400 -0.093 0.000 2.450 291 D HA 0.295 4.935 4.640 0.000 0.000 0.247 291 D C -0.620 175.608 176.300 -0.119 0.000 1.162 291 D CA 0.590 54.540 54.000 -0.083 0.000 0.879 291 D CB 0.320 41.093 40.800 -0.045 0.000 1.163 291 D HN 0.291 nan 8.370 nan 0.000 0.472 292 I N 2.362 122.848 120.570 -0.139 0.000 2.499 292 I HA 0.164 4.334 4.170 0.000 0.000 0.288 292 I C -0.547 175.520 176.117 -0.084 0.000 1.048 292 I CA -0.958 60.255 61.300 -0.144 0.000 1.062 292 I CB 1.958 39.787 38.000 -0.285 0.000 1.238 292 I HN 0.019 nan 8.210 nan 0.000 0.426 293 D N 7.200 127.568 120.400 -0.053 0.000 2.249 293 D HA 0.607 5.247 4.640 0.000 0.000 0.246 293 D C -0.608 175.683 176.300 -0.016 0.000 1.114 293 D CA 0.142 54.117 54.000 -0.041 0.000 0.854 293 D CB 2.121 42.906 40.800 -0.025 0.000 1.132 293 D HN 0.394 nan 8.370 nan 0.000 0.461 294 I N 1.059 121.610 120.570 -0.031 0.000 2.710 294 I HA 0.170 4.340 4.170 0.000 0.000 0.290 294 I C -0.338 175.779 176.117 -0.001 0.000 1.318 294 I CA -0.603 60.693 61.300 -0.006 0.000 1.045 294 I CB 1.509 39.517 38.000 0.013 0.000 1.307 294 I HN 0.579 nan 8.210 nan 0.000 0.424 295 C N 6.426 125.744 119.300 0.030 0.000 4.235 295 C HA -0.128 4.332 4.460 0.000 0.000 0.301 295 C C 1.534 176.605 174.990 0.134 0.000 1.409 295 C CA 1.138 60.199 59.018 0.072 0.000 2.024 295 C CB -2.545 25.246 27.740 0.085 0.000 1.286 295 C HN 2.084 nan 8.230 nan 0.000 0.746 296 G N -1.114 107.732 108.800 0.077 0.000 2.179 296 G HA2 -0.073 3.887 3.960 0.000 0.000 0.260 296 G HA3 -0.073 3.887 3.960 0.000 0.000 0.260 296 G C 0.480 175.403 174.900 0.038 0.000 0.977 296 G CA 0.714 45.864 45.100 0.082 0.000 0.641 296 G HN 2.394 nan 8.290 nan 0.000 0.533 297 V N -3.041 116.860 119.914 -0.021 0.000 3.103 297 V HA 0.970 5.090 4.120 0.000 0.000 0.318 297 V C -0.009 175.987 176.094 -0.163 0.000 1.114 297 V CA -0.189 62.042 62.300 -0.115 0.000 1.020 297 V CB 2.116 33.777 31.823 -0.270 0.000 1.085 297 V HN 0.404 nan 8.190 nan 0.000 0.446 298 T N 3.333 117.791 114.554 -0.159 0.000 2.815 298 T HA 0.599 4.949 4.350 0.000 0.000 0.289 298 T C -0.274 174.312 174.700 -0.190 0.000 1.000 298 T CA -0.009 62.012 62.100 -0.133 0.000 0.958 298 T CB 0.601 69.454 68.868 -0.026 0.000 0.944 298 T HN 0.620 nan 8.240 nan 0.000 0.442 299 I N 4.466 124.864 120.570 -0.287 0.000 2.312 299 I HA 0.298 4.468 4.170 0.000 0.000 0.291 299 I C 0.731 176.840 176.117 -0.012 0.000 1.031 299 I CA -0.836 60.327 61.300 -0.228 0.000 1.293 299 I CB 0.488 38.303 38.000 -0.307 0.000 1.403 299 I HN 0.265 nan 8.210 nan 0.000 0.484 300 R N 4.911 125.485 120.500 0.123 0.000 2.531 300 R HA 0.172 4.512 4.340 0.000 0.000 0.273 300 R C -0.017 176.313 176.300 0.050 0.000 1.070 300 R CA -0.647 55.498 56.100 0.077 0.000 1.112 300 R CB 0.497 30.862 30.300 0.108 0.000 1.049 300 R HN 0.608 nan 8.270 nan 0.000 0.508 301 Q N 0.349 120.153 119.800 0.006 0.000 2.269 301 Q HA 0.057 4.397 4.340 0.000 0.000 0.300 301 Q C 0.576 176.590 176.000 0.023 0.000 1.070 301 Q CA 1.537 57.334 55.803 -0.009 0.000 0.957 301 Q CB 0.127 28.854 28.738 -0.019 0.000 1.131 301 Q HN 0.862 nan 8.270 nan 0.000 0.377 302 G N 3.209 112.024 108.800 0.025 0.000 2.232 302 G HA2 -0.241 3.719 3.960 0.000 0.000 0.226 302 G HA3 -0.241 3.719 3.960 0.000 0.000 0.226 302 G C -0.227 174.713 174.900 0.067 0.000 0.996 302 G CA 0.079 45.202 45.100 0.039 0.000 0.626 302 G HN 0.634 nan 8.290 nan 0.000 0.509 303 E N 1.138 121.402 120.200 0.107 0.000 2.366 303 E HA 0.435 4.785 4.350 0.000 0.000 0.266 303 E C 0.102 176.787 176.600 0.141 0.000 1.051 303 E CA -0.284 56.213 56.400 0.161 0.000 0.884 303 E CB 0.484 30.365 29.700 0.302 0.000 1.006 303 E HN 0.232 nan 8.360 nan 0.000 0.417 304 Q N 1.157 121.010 119.800 0.090 0.000 2.235 304 Q HA 0.342 4.682 4.340 0.000 0.000 0.250 304 Q C -0.758 175.137 176.000 -0.175 0.000 0.909 304 Q CA -0.438 55.303 55.803 -0.104 0.000 0.910 304 Q CB 1.746 30.379 28.738 -0.174 0.000 1.223 304 Q HN 0.239 nan 8.270 nan 0.000 0.432 305 V N 3.140 122.836 119.914 -0.364 0.000 2.444 305 V HA 0.351 4.471 4.120 0.000 0.000 0.294 305 V C -1.145 174.630 176.094 -0.532 0.000 1.022 305 V CA -0.812 61.320 62.300 -0.280 0.000 0.850 305 V CB 0.866 32.604 31.823 -0.141 0.000 0.992 305 V HN 0.609 nan 8.190 nan 0.000 0.426 306 Y N 4.916 125.128 120.300 -0.147 0.000 2.356 306 Y HA 0.615 5.165 4.550 0.000 0.000 0.334 306 Y C -0.053 175.786 175.900 -0.101 0.000 0.958 306 Y CA -0.689 57.305 58.100 -0.176 0.000 1.196 306 Y CB 1.515 39.756 38.460 -0.366 0.000 1.137 306 Y HN 0.484 nan 8.280 nan 0.000 0.485 307 L N 5.414 126.647 121.223 0.017 0.000 2.257 307 L HA 0.359 4.699 4.340 0.000 0.000 0.290 307 L C -0.488 176.346 176.870 -0.059 0.000 1.044 307 L CA -0.310 54.508 54.840 -0.036 0.000 0.810 307 L CB 0.602 42.607 42.059 -0.090 0.000 1.193 307 L HN 0.536 nan 8.230 nan 0.000 0.425 308 L N 5.325 126.497 121.223 -0.086 0.000 2.328 308 L HA 0.211 4.551 4.340 0.000 0.000 0.280 308 L C 1.187 177.923 176.870 -0.225 0.000 1.111 308 L CA -0.257 54.453 54.840 -0.217 0.000 0.909 308 L CB 0.470 42.295 42.059 -0.388 0.000 1.277 308 L HN 0.739 nan 8.230 nan 0.000 0.433 309 L N 2.039 123.165 121.223 -0.163 0.000 2.083 309 L HA -0.115 4.225 4.340 0.000 0.000 0.209 309 L C 2.538 179.356 176.870 -0.087 0.000 1.083 309 L CA 1.485 56.262 54.840 -0.105 0.000 0.752 309 L CB -0.627 41.385 42.059 -0.078 0.000 0.899 309 L HN 0.778 nan 8.230 nan 0.000 0.433 310 G N -0.124 108.608 108.800 -0.114 0.000 2.440 310 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 310 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 310 G C 1.784 176.687 174.900 0.004 0.000 1.154 310 G CA 0.903 46.001 45.100 -0.003 0.000 0.767 310 G HN 0.471 nan 8.290 nan 0.000 0.552 311 A N 1.185 123.850 122.820 -0.257 0.000 1.873 311 A HA 0.341 4.661 4.320 0.000 0.000 0.215 311 A C 2.838 180.424 177.584 0.004 0.000 1.186 311 A CA 2.125 54.060 52.037 -0.171 0.000 0.616 311 A CB -0.869 17.835 19.000 -0.493 0.000 0.823 311 A HN 0.813 nan 8.150 nan 0.000 0.442 312 A N 0.326 123.145 122.820 -0.003 0.000 1.940 312 A HA -0.211 4.109 4.320 0.000 0.000 0.219 312 A C 1.739 179.502 177.584 0.298 0.000 1.176 312 A CA 1.854 53.970 52.037 0.133 0.000 0.631 312 A CB -0.676 18.348 19.000 0.039 0.000 0.814 312 A HN 0.516 nan 8.150 nan 0.000 0.446 313 N N -0.380 118.418 118.700 0.163 0.000 2.573 313 N HA -0.049 4.691 4.740 0.000 0.000 0.187 313 N C 0.856 176.294 175.510 -0.121 0.000 1.107 313 N CA 0.545 53.623 53.050 0.048 0.000 0.918 313 N CB -0.059 38.378 38.487 -0.083 0.000 0.966 313 N HN 0.363 nan 8.380 nan 0.000 0.448 314 R N 0.134 120.660 120.500 0.044 0.000 2.546 314 R HA 0.131 4.471 4.340 0.000 0.000 0.320 314 R C -0.437 175.953 176.300 0.151 0.000 1.021 314 R CA -0.283 55.838 56.100 0.036 0.000 1.088 314 R CB 0.013 30.317 30.300 0.008 0.000 1.278 314 R HN 0.061 nan 8.270 nan 0.000 0.557 315 D N 2.099 122.653 120.400 0.257 0.000 2.339 315 D HA 0.100 4.740 4.640 0.000 0.000 0.256 315 D C -1.623 174.769 176.300 0.153 0.000 1.214 315 D CA -2.145 51.971 54.000 0.194 0.000 0.877 315 D CB 1.806 42.731 40.800 0.208 0.000 1.111 315 D HN -0.087 nan 8.370 nan 0.000 0.478 316 P HA -0.114 nan 4.420 nan 0.000 0.222 316 P C 1.163 178.456 177.300 -0.010 0.000 1.147 316 P CA 0.845 63.977 63.100 0.054 0.000 0.790 316 P CB 0.128 31.852 31.700 0.040 0.000 0.780 317 S N -2.061 113.616 115.700 -0.037 0.000 2.561 317 S HA 0.007 4.477 4.470 0.000 0.000 0.225 317 S C 1.561 176.040 174.600 -0.202 0.000 0.977 317 S CA 0.554 58.701 58.200 -0.088 0.000 0.926 317 S CB -0.777 62.387 63.200 -0.060 0.000 0.769 317 S HN -0.050 nan 8.310 nan 0.000 0.533 318 I N -0.941 119.442 120.570 -0.311 0.000 3.812 318 I HA 0.384 4.554 4.170 0.000 0.000 0.292 318 I C -0.503 175.187 176.117 -0.712 0.000 1.206 318 I CA 0.261 61.154 61.300 -0.678 0.000 1.370 318 I CB -0.492 36.754 38.000 -1.257 0.000 1.328 318 I HN 0.208 nan 8.210 nan 0.000 0.453 319 F N 2.885 122.749 119.950 -0.143 0.000 2.375 319 F HA 0.298 4.825 4.527 0.000 0.000 0.361 319 F C 0.862 176.629 175.800 -0.055 0.000 1.117 319 F CA -1.113 56.834 58.000 -0.087 0.000 1.037 319 F CB 0.884 39.850 39.000 -0.056 0.000 1.192 319 F HN -0.116 nan 8.300 nan 0.000 0.452 320 T N 0.947 115.552 114.554 0.084 0.000 2.934 320 T HA 0.034 4.384 4.350 0.000 0.000 0.306 320 T C 0.357 175.098 174.700 0.068 0.000 1.042 320 T CA -0.639 61.490 62.100 0.049 0.000 1.145 320 T CB 0.080 68.957 68.868 0.016 0.000 0.982 320 T HN 0.617 nan 8.240 nan 0.000 0.544 321 N N 2.648 121.378 118.700 0.051 0.000 2.650 321 N HA -0.116 4.624 4.740 0.000 0.000 0.272 321 N C -1.708 173.842 175.510 0.066 0.000 1.058 321 N CA 0.553 53.632 53.050 0.049 0.000 0.765 321 N CB -0.640 37.865 38.487 0.030 0.000 0.902 321 N HN 0.601 nan 8.380 nan 0.000 0.551 322 P HA -0.078 nan 4.420 nan 0.000 0.223 322 P C 0.425 177.764 177.300 0.064 0.000 1.151 322 P CA 1.036 64.182 63.100 0.075 0.000 0.787 322 P CB 0.347 32.099 31.700 0.087 0.000 0.788 323 D N -0.453 119.995 120.400 0.080 0.000 2.325 323 D HA 0.079 4.719 4.640 0.000 0.000 0.225 323 D C 0.205 176.658 176.300 0.256 0.000 1.096 323 D CA 0.152 54.228 54.000 0.128 0.000 0.844 323 D CB 0.358 41.194 40.800 0.061 0.000 0.925 323 D HN 0.058 nan 8.370 nan 0.000 0.513 324 V N 1.861 121.866 119.914 0.152 0.000 2.370 324 V HA 0.171 4.291 4.120 0.000 0.000 0.279 324 V C -0.207 175.792 176.094 -0.157 0.000 1.029 324 V CA -0.956 61.360 62.300 0.028 0.000 0.870 324 V CB 1.268 33.088 31.823 -0.006 0.000 0.984 324 V HN -0.036 nan 8.190 nan 0.000 0.451 325 F N 5.278 124.825 119.950 -0.672 0.000 2.466 325 F HA 0.461 4.988 4.527 0.000 0.000 0.363 325 F C 0.031 175.504 175.800 -0.544 0.000 1.109 325 F CA -0.404 56.986 58.000 -1.016 0.000 1.161 325 F CB 0.407 38.384 39.000 -1.706 0.000 1.117 325 F HN 0.552 nan 8.300 nan 0.000 0.539 326 D N 6.708 126.612 120.400 -0.826 0.000 2.402 326 D HA 0.135 4.775 4.640 0.000 0.000 0.252 326 D C 0.718 176.650 176.300 -0.613 0.000 1.294 326 D CA -0.439 53.208 54.000 -0.588 0.000 0.948 326 D CB 0.575 41.199 40.800 -0.294 0.000 1.202 326 D HN 0.579 nan 8.370 nan 0.000 0.561 327 I N 1.121 121.297 120.570 -0.657 0.000 3.334 327 I HA 0.034 4.204 4.170 0.000 0.000 0.282 327 I C 1.114 177.087 176.117 -0.240 0.000 1.313 327 I CA 0.852 61.869 61.300 -0.471 0.000 1.396 327 I CB -0.270 37.506 38.000 -0.374 0.000 1.054 327 I HN 0.273 nan 8.210 nan 0.000 0.495 328 T N -1.971 112.461 114.554 -0.203 0.000 3.086 328 T HA 0.173 4.523 4.350 0.000 0.000 0.250 328 T C 1.014 175.662 174.700 -0.087 0.000 1.074 328 T CA -0.401 61.630 62.100 -0.116 0.000 0.988 328 T CB -0.271 68.541 68.868 -0.094 0.000 0.988 328 T HN 0.348 nan 8.240 nan 0.000 0.530 329 R N 1.884 122.320 120.500 -0.106 0.000 2.486 329 R HA 0.243 4.583 4.340 0.000 0.000 0.303 329 R C -0.695 175.603 176.300 -0.003 0.000 0.958 329 R CA 0.338 56.410 56.100 -0.047 0.000 1.077 329 R CB -0.075 30.199 30.300 -0.044 0.000 0.921 329 R HN 0.310 nan 8.270 nan 0.000 0.406 330 S N 5.244 120.950 115.700 0.009 0.000 2.603 330 S HA 0.463 4.933 4.470 0.000 0.000 0.274 330 S C -2.369 172.237 174.600 0.011 0.000 1.168 330 S CA -1.253 56.958 58.200 0.018 0.000 0.963 330 S CB 1.243 64.445 63.200 0.004 0.000 1.078 330 S HN 0.627 nan 8.310 nan 0.000 0.477 331 P HA 0.488 nan 4.420 nan 0.000 0.293 331 P C -1.341 176.015 177.300 0.094 0.000 1.304 331 P CA -0.672 62.453 63.100 0.042 0.000 0.767 331 P CB 0.274 31.988 31.700 0.023 0.000 1.247 332 N N -1.213 117.575 118.700 0.147 0.000 2.690 332 N HA 0.249 4.989 4.740 0.000 0.000 0.255 332 N C -2.484 173.200 175.510 0.290 0.000 1.195 332 N CA -1.335 51.894 53.050 0.299 0.000 0.790 332 N CB 1.152 39.820 38.487 0.301 0.000 1.216 332 N HN 0.070 nan 8.380 nan 0.000 0.528 333 P HA 0.058 nan 4.420 nan 0.000 0.225 333 P C -0.620 176.898 177.300 0.363 0.000 1.768 333 P CA -0.011 63.185 63.100 0.159 0.000 0.943 333 P CB -0.850 30.899 31.700 0.081 0.000 1.936 334 H N -0.748 118.577 119.070 0.424 0.000 2.745 334 H HA 0.206 4.763 4.556 0.000 0.000 0.373 334 H C 0.454 175.926 175.328 0.240 0.000 1.226 334 H CA -0.580 55.690 56.048 0.369 0.000 1.435 334 H CB 0.430 30.263 29.762 0.118 0.000 1.461 334 H HN 0.024 nan 8.280 nan 0.000 0.616 335 L N 1.361 122.763 121.223 0.297 0.000 3.110 335 L HA 0.211 4.552 4.340 0.000 0.000 0.266 335 L C 1.180 178.133 176.870 0.137 0.000 1.257 335 L CA -0.106 54.806 54.840 0.120 0.000 1.038 335 L CB 0.230 42.253 42.059 -0.060 0.000 1.395 335 L HN 0.666 nan 8.230 nan 0.000 0.566 336 S N 0.039 115.889 115.700 0.250 0.000 2.423 336 S HA -0.008 4.463 4.470 0.000 0.000 0.231 336 S C 1.307 175.814 174.600 -0.156 0.000 1.014 336 S CA 1.365 59.534 58.200 -0.050 0.000 0.965 336 S CB -0.107 62.911 63.200 -0.304 0.000 0.785 336 S HN 0.432 nan 8.310 nan 0.000 0.495 337 F N 1.208 121.271 119.950 0.188 0.000 2.641 337 F HA 0.358 4.885 4.527 0.000 0.000 0.302 337 F C 1.593 177.444 175.800 0.085 0.000 1.098 337 F CA 0.007 58.079 58.000 0.120 0.000 1.318 337 F CB 0.111 39.182 39.000 0.118 0.000 1.035 337 F HN 0.316 nan 8.300 nan 0.000 0.551 338 G N 0.526 109.446 108.800 0.201 0.000 2.542 338 G HA2 -0.202 3.758 3.960 0.000 0.000 0.235 338 G HA3 -0.202 3.758 3.960 0.000 0.000 0.235 338 G C -1.276 173.743 174.900 0.199 0.000 1.286 338 G CA -0.286 44.901 45.100 0.145 0.000 0.904 338 G HN 0.516 nan 8.290 nan 0.000 0.577 339 H N -1.247 117.833 119.070 0.018 0.000 3.081 339 H HA 0.646 5.202 4.556 0.000 0.000 0.322 339 H C 0.587 175.897 175.328 -0.031 0.000 1.266 339 H CA 1.925 57.961 56.048 -0.020 0.000 1.279 339 H CB 1.012 30.732 29.762 -0.070 0.000 1.954 339 H HN 2.630 nan 8.280 nan 0.000 0.530 340 G N 1.752 110.216 108.800 -0.560 0.000 2.498 340 G HA2 -0.317 3.644 3.960 0.000 0.000 0.245 340 G HA3 -0.317 3.644 3.960 0.000 0.000 0.245 340 G C 0.580 175.317 174.900 -0.271 0.000 1.204 340 G CA 0.612 45.431 45.100 -0.468 0.000 0.933 340 G HN 0.837 nan 8.290 nan 0.000 0.574 341 H N -0.221 118.819 119.070 -0.051 0.000 2.457 341 H HA 0.090 4.646 4.556 0.000 0.000 0.294 341 H C 1.965 177.231 175.328 -0.103 0.000 1.064 341 H CA 1.499 57.505 56.048 -0.069 0.000 1.330 341 H CB 0.036 29.733 29.762 -0.108 0.000 1.395 341 H HN 0.497 nan 8.280 nan 0.000 0.541 342 H N -0.322 118.791 119.070 0.071 0.000 2.549 342 H HA 0.126 4.682 4.556 0.000 0.000 0.279 342 H C 0.360 175.715 175.328 0.045 0.000 1.018 342 H CA -0.138 55.938 56.048 0.047 0.000 1.175 342 H CB 0.130 29.856 29.762 -0.060 0.000 1.485 342 H HN 0.093 nan 8.280 nan 0.000 0.543 343 V N 1.914 121.891 119.914 0.105 0.000 2.843 343 V HA -0.161 3.959 4.120 0.000 0.000 0.305 343 V C 0.885 177.019 176.094 0.067 0.000 1.120 343 V CA -0.046 62.304 62.300 0.083 0.000 1.254 343 V CB 0.272 32.110 31.823 0.026 0.000 0.901 343 V HN 0.590 nan 8.190 nan 0.000 0.503 344 C N 7.171 126.528 119.300 0.095 0.000 2.437 344 C HA -0.030 4.431 4.460 0.000 0.000 0.399 344 C C 1.595 176.532 174.990 -0.088 0.000 1.478 344 C CA 0.490 59.532 59.018 0.039 0.000 1.538 344 C CB -1.070 26.754 27.740 0.140 0.000 2.506 344 C HN 1.018 nan 8.230 nan 0.000 0.603 345 L N 5.651 126.794 121.223 -0.133 0.000 2.179 345 L HA 0.252 4.592 4.340 0.000 0.000 0.208 345 L C 2.074 178.744 176.870 -0.334 0.000 1.096 345 L CA 2.278 56.992 54.840 -0.210 0.000 0.779 345 L CB -0.427 41.478 42.059 -0.257 0.000 0.922 345 L HN 0.895 nan 8.230 nan 0.000 0.443 346 G N -1.872 106.689 108.800 -0.398 0.000 3.605 346 G HA2 0.083 4.044 3.960 0.000 0.000 0.277 346 G HA3 0.083 4.044 3.960 0.000 0.000 0.277 346 G C 1.291 176.068 174.900 -0.206 0.000 1.093 346 G CA 0.504 45.379 45.100 -0.374 0.000 0.821 346 G HN 0.444 nan 8.290 nan 0.000 0.532 347 S N 0.251 115.728 115.700 -0.372 0.000 2.368 347 S HA -0.143 4.327 4.470 0.000 0.000 0.225 347 S C 2.354 176.729 174.600 -0.375 0.000 1.030 347 S CA 1.701 59.431 58.200 -0.783 0.000 0.999 347 S CB -0.337 62.067 63.200 -1.327 0.000 0.844 347 S HN 0.160 nan 8.310 nan 0.000 0.459 348 S N 2.024 117.623 115.700 -0.169 0.000 2.356 348 S HA 0.006 4.476 4.470 0.000 0.000 0.223 348 S C 1.765 176.401 174.600 0.060 0.000 1.032 348 S CA 1.271 59.455 58.200 -0.027 0.000 1.005 348 S CB -0.676 62.537 63.200 0.022 0.000 0.867 348 S HN 0.464 nan 8.310 nan 0.000 0.449 349 L N 1.913 123.210 121.223 0.124 0.000 2.046 349 L HA -0.002 4.339 4.340 0.000 0.000 0.208 349 L C 2.334 179.279 176.870 0.126 0.000 1.077 349 L CA 1.933 56.886 54.840 0.187 0.000 0.747 349 L CB -1.043 41.190 42.059 0.289 0.000 0.896 349 L HN 0.239 nan 8.230 nan 0.000 0.432 350 A N -0.427 122.455 122.820 0.103 0.000 1.902 350 A HA -0.223 4.098 4.320 0.000 0.000 0.217 350 A C 2.431 180.109 177.584 0.157 0.000 1.181 350 A CA 1.836 53.958 52.037 0.142 0.000 0.623 350 A CB -0.557 18.582 19.000 0.232 0.000 0.818 350 A HN 0.508 nan 8.150 nan 0.000 0.443 351 R N -1.313 119.280 120.500 0.155 0.000 2.081 351 R HA -0.102 4.238 4.340 0.000 0.000 0.235 351 R C 2.117 178.483 176.300 0.110 0.000 1.131 351 R CA 1.411 57.605 56.100 0.157 0.000 0.960 351 R CB -0.513 29.872 30.300 0.141 0.000 0.856 351 R HN 0.479 nan 8.270 nan 0.000 0.436 352 L N 1.595 122.876 121.223 0.097 0.000 2.017 352 L HA -0.151 4.190 4.340 0.000 0.000 0.208 352 L C 1.839 178.749 176.870 0.068 0.000 1.073 352 L CA 1.823 56.715 54.840 0.085 0.000 0.745 352 L CB -0.411 41.712 42.059 0.106 0.000 0.894 352 L HN 0.131 nan 8.230 nan 0.000 0.432 353 E N -0.520 119.718 120.200 0.064 0.000 2.097 353 E HA -0.270 4.080 4.350 0.000 0.000 0.196 353 E C 2.091 178.695 176.600 0.007 0.000 1.000 353 E CA 1.328 57.740 56.400 0.019 0.000 0.804 353 E CB -0.303 29.401 29.700 0.007 0.000 0.740 353 E HN 0.658 nan 8.360 nan 0.000 0.454 354 A N 1.102 123.947 122.820 0.041 0.000 1.897 354 A HA -0.220 4.100 4.320 0.000 0.000 0.215 354 A C 2.058 179.674 177.584 0.052 0.000 1.181 354 A CA 1.260 53.325 52.037 0.047 0.000 0.620 354 A CB -0.412 18.634 19.000 0.077 0.000 0.821 354 A HN 0.156 nan 8.150 nan 0.000 0.443 355 Q N -0.398 119.437 119.800 0.059 0.000 2.061 355 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 355 Q C 2.024 178.049 176.000 0.041 0.000 0.984 355 Q CA 1.804 57.640 55.803 0.054 0.000 0.846 355 Q CB -0.348 28.424 28.738 0.057 0.000 0.902 355 Q HN 0.741 nan 8.270 nan 0.000 0.421 356 I N 0.280 120.868 120.570 0.030 0.000 2.202 356 I HA -0.259 3.911 4.170 0.000 0.000 0.242 356 I C 2.417 178.545 176.117 0.018 0.000 1.091 356 I CA 0.872 62.179 61.300 0.012 0.000 1.368 356 I CB -0.419 37.579 38.000 -0.003 0.000 1.058 356 I HN 0.179 nan 8.210 nan 0.000 0.410 357 A N 1.127 123.961 122.820 0.023 0.000 1.883 357 A HA -0.187 4.133 4.320 0.000 0.000 0.217 357 A C 2.288 179.995 177.584 0.204 0.000 1.186 357 A CA 1.656 53.757 52.037 0.106 0.000 0.624 357 A CB -0.844 18.122 19.000 -0.056 0.000 0.822 357 A HN 0.378 nan 8.150 nan 0.000 0.444 358 I N -0.474 120.166 120.570 0.118 0.000 2.202 358 I HA -0.218 3.952 4.170 0.000 0.000 0.242 358 I C 2.272 178.419 176.117 0.050 0.000 1.091 358 I CA 1.271 62.627 61.300 0.094 0.000 1.368 358 I CB -0.443 37.601 38.000 0.073 0.000 1.058 358 I HN 0.255 nan 8.210 nan 0.000 0.410 359 N N 0.441 119.164 118.700 0.038 0.000 2.120 359 N HA -0.136 4.604 4.740 0.000 0.000 0.188 359 N C 1.831 177.340 175.510 -0.002 0.000 1.024 359 N CA 1.777 54.838 53.050 0.018 0.000 0.852 359 N CB -0.398 38.101 38.487 0.021 0.000 1.003 359 N HN 0.278 nan 8.380 nan 0.000 0.424 360 T N 1.050 115.595 114.554 -0.015 0.000 2.857 360 T HA -0.066 4.285 4.350 0.000 0.000 0.266 360 T C 1.918 176.560 174.700 -0.096 0.000 1.048 360 T CA 0.437 62.495 62.100 -0.071 0.000 1.139 360 T CB -0.293 68.472 68.868 -0.171 0.000 0.874 360 T HN 0.103 nan 8.240 nan 0.000 0.455 361 L N 1.295 122.463 121.223 -0.093 0.000 1.989 361 L HA -0.012 4.328 4.340 0.000 0.000 0.211 361 L C 2.138 178.916 176.870 -0.153 0.000 1.071 361 L CA 1.719 56.431 54.840 -0.214 0.000 0.749 361 L CB -0.734 41.199 42.059 -0.211 0.000 0.890 361 L HN 0.232 nan 8.230 nan 0.000 0.431 362 L N -0.985 120.193 121.223 -0.076 0.000 2.141 362 L HA -0.210 4.131 4.340 0.000 0.000 0.209 362 L C 2.659 179.506 176.870 -0.038 0.000 1.094 362 L CA 1.431 56.243 54.840 -0.046 0.000 0.763 362 L CB -0.628 41.422 42.059 -0.014 0.000 0.908 362 L HN 0.496 nan 8.230 nan 0.000 0.437 363 Q N 0.346 120.126 119.800 -0.033 0.000 2.084 363 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 363 Q C 2.154 178.143 176.000 -0.019 0.000 0.978 363 Q CA 1.483 57.279 55.803 -0.012 0.000 0.844 363 Q CB 0.194 28.937 28.738 0.008 0.000 0.898 363 Q HN 0.425 nan 8.270 nan 0.000 0.426 364 R N -1.358 119.109 120.500 -0.055 0.000 2.290 364 R HA 0.160 4.501 4.340 0.000 0.000 0.197 364 R C -0.139 176.100 176.300 -0.100 0.000 0.913 364 R CA 0.014 56.076 56.100 -0.064 0.000 1.040 364 R CB 0.601 30.854 30.300 -0.078 0.000 0.992 364 R HN 0.133 nan 8.270 nan 0.000 0.500 365 M N 0.449 119.978 119.600 -0.118 0.000 2.182 365 M HA 0.266 4.746 4.480 0.000 0.000 0.285 365 M C -2.116 174.174 176.300 -0.016 0.000 0.956 365 M CA -2.367 52.880 55.300 -0.089 0.000 0.878 365 M CB 1.845 34.317 32.600 -0.212 0.000 1.373 365 M HN -0.236 nan 8.290 nan 0.000 0.393 366 P HA -0.076 nan 4.420 nan 0.000 0.218 366 P C 0.504 177.822 177.300 0.029 0.000 1.148 366 P CA 0.993 64.104 63.100 0.018 0.000 0.822 366 P CB 0.371 32.084 31.700 0.023 0.000 0.784 367 S N -0.646 115.085 115.700 0.052 0.000 2.257 367 S HA 0.314 4.784 4.470 0.000 0.000 0.191 367 S C -0.406 174.240 174.600 0.076 0.000 1.386 367 S CA -0.777 57.455 58.200 0.053 0.000 1.233 367 S CB -1.156 62.072 63.200 0.046 0.000 1.138 367 S HN -0.150 nan 8.310 nan 0.000 0.483 368 L N 3.736 124.998 121.223 0.065 0.000 2.290 368 L HA 0.615 4.955 4.340 0.000 0.000 0.284 368 L C -0.646 176.258 176.870 0.057 0.000 1.078 368 L CA 0.439 55.326 54.840 0.078 0.000 0.815 368 L CB 0.731 42.808 42.059 0.031 0.000 1.162 368 L HN 0.474 nan 8.230 nan 0.000 0.435 369 N N 3.321 122.063 118.700 0.069 0.000 2.357 369 N HA 0.556 5.296 4.740 0.000 0.000 0.284 369 N C -1.468 174.078 175.510 0.061 0.000 1.236 369 N CA -0.763 52.318 53.050 0.052 0.000 0.774 369 N CB 1.431 39.943 38.487 0.042 0.000 1.534 369 N HN 0.451 nan 8.380 nan 0.000 0.478 370 L N 1.436 122.699 121.223 0.066 0.000 2.416 370 L HA 0.457 4.797 4.340 0.000 0.000 0.272 370 L C 0.853 177.778 176.870 0.093 0.000 1.161 370 L CA -0.299 54.601 54.840 0.100 0.000 0.845 370 L CB 0.387 42.549 42.059 0.171 0.000 1.119 370 L HN 0.636 nan 8.230 nan 0.000 0.464 376 R N 1.828 122.339 120.500 0.019 0.000 2.338 376 R HA 0.531 4.872 4.340 0.000 0.000 0.317 376 R C -1.282 174.972 176.300 -0.078 0.000 0.968 376 R CA -0.999 55.106 56.100 0.010 0.000 0.849 376 R CB 1.542 31.853 30.300 0.019 0.000 1.128 376 R HN 0.485 nan 8.270 nan 0.000 0.448 377 Y N 1.475 121.838 120.300 0.105 0.000 2.310 377 Y HA 0.285 4.835 4.550 0.000 0.000 0.326 377 Y C 0.905 176.859 175.900 0.090 0.000 1.151 377 Y CA -0.538 57.618 58.100 0.093 0.000 1.195 377 Y CB 1.001 39.507 38.460 0.077 0.000 1.210 377 Y HN 0.264 nan 8.280 nan 0.000 0.483 378 R N 4.020 124.663 120.500 0.237 0.000 2.623 378 R HA 0.071 4.411 4.340 0.000 0.000 0.271 378 R C -2.151 174.276 176.300 0.212 0.000 1.043 378 R CA -1.392 54.813 56.100 0.176 0.000 1.083 378 R CB 0.019 30.403 30.300 0.139 0.000 0.974 378 R HN 0.402 nan 8.270 nan 0.000 0.436 379 P HA 0.017 nan 4.420 nan 0.000 0.231 379 P C -0.994 176.402 177.300 0.161 0.000 1.756 379 P CA 0.586 63.784 63.100 0.164 0.000 0.990 379 P CB -0.018 31.730 31.700 0.080 0.000 1.973 380 L N 1.080 122.467 121.223 0.273 0.000 2.385 380 L HA 0.401 4.741 4.340 0.000 0.000 0.273 380 L C 0.905 178.072 176.870 0.494 0.000 0.990 380 L CA -0.928 54.101 54.840 0.314 0.000 0.821 380 L CB 1.566 43.825 42.059 0.333 0.000 1.279 380 L HN -0.065 nan 8.230 nan 0.000 0.412 381 F N 1.008 121.024 119.950 0.110 0.000 2.530 381 F HA 0.165 4.692 4.527 0.000 0.000 0.292 381 F C 2.018 177.774 175.800 -0.074 0.000 1.109 381 F CA 0.340 58.370 58.000 0.049 0.000 1.450 381 F CB -0.146 38.846 39.000 -0.013 0.000 1.114 381 F HN 0.589 nan 8.300 nan 0.000 0.560 382 G N -1.524 107.304 108.800 0.047 0.000 2.880 382 G HA2 0.086 4.046 3.960 0.000 0.000 0.209 382 G HA3 0.086 4.046 3.960 0.000 0.000 0.209 382 G C -0.142 174.359 174.900 -0.665 0.000 1.157 382 G CA 0.294 45.184 45.100 -0.350 0.000 0.779 382 G HN 0.106 nan 8.290 nan 0.000 0.539 383 F N -1.702 118.297 119.950 0.081 0.000 2.601 383 F HA 0.567 5.095 4.527 0.000 0.000 0.309 383 F C 0.000 175.838 175.800 0.062 0.000 1.089 383 F CA -1.297 56.743 58.000 0.068 0.000 0.940 383 F CB 2.122 41.173 39.000 0.086 0.000 1.273 383 F HN -0.267 nan 8.300 nan 0.000 0.450 384 R N 1.883 122.521 120.500 0.230 0.000 2.278 384 R HA 0.795 5.135 4.340 0.000 0.000 0.322 384 R C -1.463 174.994 176.300 0.262 0.000 1.058 384 R CA -0.194 55.997 56.100 0.152 0.000 0.991 384 R CB 0.468 30.791 30.300 0.040 0.000 1.140 384 R HN 0.740 nan 8.270 nan 0.000 0.518 385 A N 5.147 128.166 122.820 0.331 0.000 2.359 385 A HA 0.445 4.765 4.320 0.000 0.000 0.303 385 A C -0.905 176.829 177.584 0.249 0.000 1.066 385 A CA -0.757 51.432 52.037 0.254 0.000 0.730 385 A CB 0.903 20.006 19.000 0.172 0.000 1.211 385 A HN 0.645 nan 8.150 nan 0.000 0.439 386 L N 2.001 123.270 121.223 0.077 0.000 2.417 386 L HA 0.225 4.565 4.340 0.000 0.000 0.268 386 L C 1.431 178.284 176.870 -0.029 0.000 1.158 386 L CA -0.509 54.259 54.840 -0.122 0.000 0.819 386 L CB 0.672 42.611 42.059 -0.201 0.000 1.112 386 L HN 0.821 nan 8.230 nan 0.000 0.458 387 E N 1.396 121.573 120.200 -0.039 0.000 2.016 387 E HA -0.014 4.336 4.350 0.000 0.000 0.190 387 E C -0.094 176.500 176.600 -0.010 0.000 0.985 387 E CA 1.217 57.613 56.400 -0.006 0.000 0.802 387 E CB 0.244 29.946 29.700 0.004 0.000 0.762 387 E HN 0.609 nan 8.360 nan 0.000 0.448 388 E N -0.533 119.659 120.200 -0.013 0.000 2.408 388 E HA 0.429 4.779 4.350 0.000 0.000 0.275 388 E C -1.322 175.286 176.600 0.013 0.000 0.935 388 E CA -0.685 55.719 56.400 0.007 0.000 0.775 388 E CB 2.222 31.932 29.700 0.016 0.000 1.277 388 E HN -0.143 nan 8.360 nan 0.000 0.455 389 L N 2.597 123.839 121.223 0.032 0.000 2.489 389 L HA 0.388 4.728 4.340 0.000 0.000 0.257 389 L C -2.861 174.046 176.870 0.061 0.000 1.215 389 L CA -1.788 53.076 54.840 0.040 0.000 0.915 389 L CB 1.092 43.156 42.059 0.008 0.000 1.146 389 L HN 0.221 nan 8.230 nan 0.000 0.494 390 P HA 0.346 nan 4.420 nan 0.000 0.276 390 P C -0.925 176.424 177.300 0.082 0.000 1.235 390 P CA -0.006 63.138 63.100 0.073 0.000 0.772 390 P CB 1.197 32.933 31.700 0.060 0.000 0.871 391 V N 0.294 120.262 119.914 0.091 0.000 3.040 391 V HA 0.911 5.031 4.120 0.000 0.000 0.312 391 V C -0.307 175.859 176.094 0.119 0.000 1.115 391 V CA -0.875 61.487 62.300 0.104 0.000 0.998 391 V CB 1.924 33.810 31.823 0.106 0.000 1.042 391 V HN 0.594 nan 8.190 nan 0.000 0.433 392 T N 0.354 114.963 114.554 0.093 0.000 2.912 392 T HA 0.928 5.278 4.350 0.000 0.000 0.288 392 T C -0.812 173.951 174.700 0.105 0.000 1.030 392 T CA -0.521 61.582 62.100 0.005 0.000 1.020 392 T CB 1.766 70.600 68.868 -0.056 0.000 1.056 392 T HN 1.822 nan 8.240 nan 0.000 0.480 393 F N -1.686 118.249 119.950 -0.025 0.000 2.654 393 F HA 0.818 5.345 4.527 0.000 0.000 0.308 393 F C -0.384 175.400 175.800 -0.026 0.000 1.108 393 F CA -1.229 56.753 58.000 -0.031 0.000 0.957 393 F CB 0.721 39.691 39.000 -0.049 0.000 1.309 393 F HN 0.951 nan 8.300 nan 0.000 0.446 394 E N 0.000 120.312 120.200 0.187 0.000 2.725 394 E HA 0.000 4.350 4.350 0.000 0.000 0.291 394 E CA 0.000 56.471 56.400 0.119 0.000 0.976 394 E CB 0.000 29.842 29.700 0.237 0.000 0.812 394 E HN 0.000 nan 8.360 nan 0.000 0.440