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 2x4m_1_C DATA FIRST_RESID 3 DATA SEQUENCE SQLIPNISPD SFTVAASTGM LSGKSHEMLY DAETGRKISQ LDWKIKNVAI DATA SEQUENCE LKGDISWDPY SFLTLNARGW TSLASGSGNM DDYAWMNENQ SEWTDHSSHP DATA SEQUENCE ATNVNHANEY DLNVKGWLLQ DENYKAGITA GYQETRFSWT ATGGSYSYNN DATA SEQUENCE GAYTGNFPKG VRVIGYNQRF SMPYIGLAGQ YRINDFELNA LFKFSDWVRA DATA SEQUENCE HDNDEHYMRD LTFREKTSGS RYYGTVINAG YYVTPNAKVF AEFTYSKYDE DATA SEQUENCE GKGGTQTIDK NSGDSVSIGG DAAGISNKNY TVTAGLQYRF G 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.733 174.600 0.222 0.000 1.055 3 S CA 0.000 58.293 58.200 0.154 0.000 1.107 3 S CB 0.000 nan 63.200 nan 0.000 0.593 4 Q N -2.108 117.794 119.800 0.170 0.000 3.001 4 Q HA 0.417 4.758 4.340 0.003 0.000 0.029 4 Q C 0.995 177.107 176.000 0.187 0.000 1.641 4 Q CA 1.290 57.208 55.803 0.191 0.000 0.227 4 Q CB -2.341 nan 28.738 nan 0.000 2.254 4 Q HN 2.745 nan 8.270 nan 0.000 0.318 5 L N 0.672 121.986 121.223 0.152 0.000 2.985 5 L HA 0.519 4.861 4.340 0.003 0.000 0.292 5 L C 2.787 179.697 176.870 0.067 0.000 1.329 5 L CA 2.005 56.908 54.840 0.105 0.000 1.201 5 L CB -2.614 nan 42.059 nan 0.000 1.455 5 L HN 2.433 nan 8.230 nan 0.000 0.432 6 I N 1.294 121.892 120.570 0.046 0.000 2.077 6 I HA 0.353 4.525 4.170 0.003 0.000 0.231 6 I C 0.223 176.298 176.117 -0.069 0.000 1.011 6 I CA 2.768 64.016 61.300 -0.086 0.000 1.304 6 I CB -1.372 nan 38.000 nan 0.000 1.019 6 I HN 1.663 nan 8.210 nan 0.000 0.388 7 P HA 0.469 nan 4.420 nan 0.000 0.434 7 P C -0.007 177.504 177.300 0.351 0.000 1.547 7 P CA 0.913 64.287 63.100 0.456 0.000 1.346 7 P CB -1.252 nan 31.700 nan 0.000 3.380 8 N N 0.566 119.394 118.700 0.213 0.000 2.039 8 N HA 0.164 4.906 4.740 0.003 0.000 0.193 8 N C 1.851 177.341 175.510 -0.033 0.000 1.044 8 N CA 3.680 56.761 53.050 0.052 0.000 0.847 8 N CB -0.468 nan 38.487 nan 0.000 1.030 8 N HN 1.330 nan 8.380 nan 0.000 0.422 9 I N -2.766 118.038 120.570 0.390 0.000 4.240 9 I HA 0.738 4.910 4.170 0.003 0.000 0.331 9 I C 2.260 178.613 176.117 0.393 0.000 1.381 9 I CA 1.254 62.881 61.300 0.545 0.000 1.136 9 I CB -1.070 nan 38.000 nan 0.000 1.137 9 I HN 1.154 nan 8.210 nan 0.000 0.411 10 S N 0.211 115.925 115.700 0.024 0.000 2.167 10 S HA -0.310 4.162 4.470 0.003 0.000 0.259 10 S C 0.737 175.307 174.600 -0.051 0.000 1.091 10 S CA 3.155 61.216 58.200 -0.231 0.000 2.132 10 S CB -2.876 nan 63.200 nan 0.000 2.144 10 S HN 1.775 nan 8.310 nan 0.000 0.537 11 P HA 0.493 nan 4.420 nan 0.000 0.330 11 P C 0.459 177.907 177.300 0.247 0.000 1.434 11 P CA 1.910 65.095 63.100 0.142 0.000 0.873 11 P CB -0.835 nan 31.700 nan 0.000 2.146 12 D N -2.765 117.750 120.400 0.191 0.000 2.341 12 D HA 0.386 5.027 4.640 0.003 0.000 0.235 12 D C 0.945 177.436 176.300 0.318 0.000 1.265 12 D CA 1.189 55.307 54.000 0.197 0.000 0.888 12 D CB -0.147 nan 40.800 nan 0.000 1.192 12 D HN 0.505 nan 8.370 nan 0.000 0.462 13 S N -2.044 113.810 115.700 0.255 0.000 1.397 13 S HA -0.109 4.362 4.470 0.003 0.000 0.250 13 S C -0.376 174.297 174.600 0.120 0.000 0.812 13 S CA 0.363 58.685 58.200 0.204 0.000 1.097 13 S CB -1.282 62.291 63.200 0.622 0.000 1.231 13 S HN 0.705 nan 8.310 nan 0.000 0.502 14 F N 1.584 121.725 119.950 0.318 0.000 2.507 14 F HA 0.730 5.258 4.527 0.003 0.000 0.325 14 F C 0.352 176.330 175.800 0.297 0.000 1.116 14 F CA -0.437 57.768 58.000 0.341 0.000 0.930 14 F CB 2.058 41.243 39.000 0.308 0.000 1.146 14 F HN -0.087 nan 8.300 nan 0.000 0.447 15 T N 2.786 117.562 114.554 0.370 0.000 2.893 15 T HA 0.758 5.110 4.350 0.003 0.000 0.293 15 T C -1.500 173.350 174.700 0.250 0.000 1.027 15 T CA -0.519 61.716 62.100 0.226 0.000 0.988 15 T CB 1.568 70.509 68.868 0.122 0.000 1.043 15 T HN 0.331 nan 8.240 nan 0.000 0.461 16 V N 2.591 122.616 119.914 0.186 0.000 2.623 16 V HA 0.894 5.016 4.120 0.003 0.000 0.304 16 V C -0.388 175.810 176.094 0.173 0.000 1.054 16 V CA -0.825 61.603 62.300 0.213 0.000 0.882 16 V CB 1.557 33.559 31.823 0.299 0.000 1.002 16 V HN 1.089 nan 8.190 nan 0.000 0.424 17 A N 3.439 126.374 122.820 0.191 0.000 2.435 17 A HA 1.042 5.364 4.320 0.003 0.000 0.304 17 A C -0.562 177.178 177.584 0.260 0.000 1.064 17 A CA -0.251 51.938 52.037 0.252 0.000 0.727 17 A CB 2.036 21.196 19.000 0.267 0.000 1.284 17 A HN 1.682 nan 8.150 nan 0.000 0.415 18 A N 1.027 124.005 122.820 0.263 0.000 2.455 18 A HA 0.879 5.200 4.320 0.003 0.000 0.300 18 A C -0.209 177.470 177.584 0.158 0.000 1.040 18 A CA 0.162 52.321 52.037 0.204 0.000 0.697 18 A CB 1.291 20.373 19.000 0.137 0.000 1.265 18 A HN 2.136 nan 8.150 nan 0.000 0.407 19 S N 0.278 116.079 115.700 0.168 0.000 2.697 19 S HA 0.939 5.411 4.470 0.003 0.000 0.289 19 S C -0.445 174.201 174.600 0.076 0.000 1.149 19 S CA -0.552 57.689 58.200 0.070 0.000 0.850 19 S CB 1.922 65.206 63.200 0.139 0.000 1.151 19 S HN 1.435 nan 8.310 nan 0.000 0.491 20 T N -1.060 113.514 114.554 0.033 0.000 2.932 20 T HA 0.784 5.135 4.350 0.003 0.000 0.318 20 T C -0.278 174.435 174.700 0.022 0.000 1.265 20 T CA 0.356 62.479 62.100 0.037 0.000 1.036 20 T CB 1.085 69.971 68.868 0.029 0.000 1.209 20 T HN 1.761 nan 8.240 nan 0.000 0.484 21 G N 2.214 111.024 108.800 0.017 0.000 2.356 21 G HA2 0.406 4.367 3.960 0.003 0.000 0.281 21 G HA3 0.406 4.367 3.960 0.003 0.000 0.281 21 G C -1.428 173.469 174.900 -0.005 0.000 1.246 21 G CA -0.759 44.349 45.100 0.013 0.000 0.889 21 G HN 0.803 nan 8.290 nan 0.000 0.486 22 M N 0.078 119.679 119.600 0.002 0.000 2.283 22 M HA 0.699 5.181 4.480 0.003 0.000 0.314 22 M C -0.797 175.468 176.300 -0.058 0.000 1.153 22 M CA -0.684 54.613 55.300 -0.005 0.000 1.084 22 M CB 1.521 34.137 32.600 0.028 0.000 1.468 22 M HN 0.554 nan 8.290 nan 0.000 0.474 23 L N 1.103 122.289 121.223 -0.062 0.000 2.386 23 L HA 0.656 4.998 4.340 0.003 0.000 0.271 23 L C -1.206 175.680 176.870 0.027 0.000 0.993 23 L CA 0.207 54.987 54.840 -0.099 0.000 0.819 23 L CB 2.202 44.121 42.059 -0.233 0.000 1.294 23 L HN 0.619 nan 8.230 nan 0.000 0.414 24 S N 1.965 117.727 115.700 0.103 0.000 2.588 24 S HA 1.020 5.492 4.470 0.003 0.000 0.275 24 S C -0.622 174.136 174.600 0.264 0.000 1.130 24 S CA 0.019 58.325 58.200 0.176 0.000 0.855 24 S CB 1.783 65.088 63.200 0.175 0.000 1.116 24 S HN 1.306 nan 8.310 nan 0.000 0.472 25 G N 1.453 110.401 108.800 0.246 0.000 2.315 25 G HA2 0.478 4.440 3.960 0.003 0.000 0.294 25 G HA3 0.478 4.440 3.960 0.003 0.000 0.294 25 G C -2.159 172.846 174.900 0.174 0.000 1.300 25 G CA -0.662 44.575 45.100 0.229 0.000 0.843 25 G HN 0.660 nan 8.290 nan 0.000 0.527 26 K N 0.045 120.519 120.400 0.124 0.000 2.589 26 K HA 0.616 4.938 4.320 0.003 0.000 0.253 26 K C -1.003 175.581 176.600 -0.026 0.000 0.974 26 K CA -0.495 55.823 56.287 0.052 0.000 0.835 26 K CB 1.622 34.153 32.500 0.051 0.000 1.272 26 K HN 0.606 nan 8.250 nan 0.000 0.444 27 S N 1.603 117.258 115.700 -0.076 0.000 2.681 27 S HA 0.528 4.999 4.470 0.003 0.000 0.299 27 S C -1.249 173.183 174.600 -0.280 0.000 1.113 27 S CA -0.627 57.566 58.200 -0.012 0.000 1.013 27 S CB 0.831 64.164 63.200 0.221 0.000 1.076 27 S HN 0.599 nan 8.310 nan 0.000 0.534 28 H N 0.548 119.737 119.070 0.198 0.000 2.637 28 H HA 0.519 5.076 4.556 0.002 0.000 0.363 28 H C -0.740 174.681 175.328 0.154 0.000 1.131 28 H CA -0.596 55.536 56.048 0.140 0.000 1.183 28 H CB 1.416 31.248 29.762 0.116 0.000 1.637 28 H HN 0.531 nan 8.280 nan 0.000 0.531 29 E N 3.093 123.396 120.200 0.171 0.000 2.235 29 E HA 0.348 4.700 4.350 0.003 0.000 0.252 29 E C -1.331 175.278 176.600 0.015 0.000 0.886 29 E CA -0.885 55.553 56.400 0.063 0.000 0.767 29 E CB 0.849 30.444 29.700 -0.176 0.000 1.205 29 E HN 0.407 nan 8.360 nan 0.000 0.421 30 M N 3.774 123.367 119.600 -0.012 0.000 2.508 30 M HA 0.441 4.923 4.480 0.003 0.000 0.327 30 M C -1.340 174.778 176.300 -0.303 0.000 1.160 30 M CA -0.792 54.384 55.300 -0.207 0.000 0.980 30 M CB 1.697 34.121 32.600 -0.294 0.000 1.693 30 M HN 0.515 nan 8.290 nan 0.000 0.452 31 L N 3.676 124.636 121.223 -0.438 0.000 2.406 31 L HA 0.609 4.951 4.340 0.003 0.000 0.272 31 L C -2.057 174.568 176.870 -0.408 0.000 0.980 31 L CA -0.139 54.509 54.840 -0.320 0.000 0.831 31 L CB 1.116 43.065 42.059 -0.184 0.000 1.253 31 L HN 0.647 nan 8.230 nan 0.000 0.406 32 Y N 2.066 122.363 120.300 -0.004 0.000 2.468 32 Y HA 0.368 4.919 4.550 0.001 0.000 0.342 32 Y C -0.022 175.875 175.900 -0.005 0.000 1.021 32 Y CA -0.839 57.252 58.100 -0.013 0.000 1.079 32 Y CB 1.648 40.095 38.460 -0.021 0.000 1.226 32 Y HN 0.532 nan 8.280 nan 0.000 0.460 33 D N 2.204 122.700 120.400 0.159 0.000 2.367 33 D HA 0.105 4.747 4.640 0.003 0.000 0.255 33 D C 0.995 177.345 176.300 0.084 0.000 1.300 33 D CA 0.371 54.428 54.000 0.094 0.000 0.959 33 D CB 1.067 41.907 40.800 0.067 0.000 1.064 33 D HN 0.780 nan 8.370 nan 0.000 0.509 34 A N 4.511 127.378 122.820 0.078 0.000 1.971 34 A HA -0.259 4.062 4.320 0.003 0.000 0.222 34 A C 1.612 179.213 177.584 0.028 0.000 1.182 34 A CA 1.889 53.959 52.037 0.054 0.000 0.649 34 A CB -0.348 18.682 19.000 0.049 0.000 0.818 34 A HN 0.753 nan 8.150 nan 0.000 0.458 35 E N -1.991 118.226 120.200 0.028 0.000 2.463 35 E HA 0.142 4.494 4.350 0.003 0.000 0.193 35 E C 0.846 177.453 176.600 0.013 0.000 1.041 35 E CA 0.701 57.111 56.400 0.017 0.000 0.879 35 E CB 0.100 29.810 29.700 0.018 0.000 0.997 35 E HN 0.408 nan 8.360 nan 0.000 0.478 36 T N -0.714 113.850 114.554 0.017 0.000 2.964 36 T HA 0.231 4.583 4.350 0.003 0.000 0.250 36 T C 1.423 176.122 174.700 -0.001 0.000 0.982 36 T CA 0.348 62.454 62.100 0.011 0.000 0.959 36 T CB 0.856 69.737 68.868 0.023 0.000 1.141 36 T HN 0.393 nan 8.240 nan 0.000 0.494 37 G N 2.214 111.015 108.800 0.001 0.000 2.205 37 G HA2 -0.267 3.695 3.960 0.003 0.000 0.261 37 G HA3 -0.267 3.695 3.960 0.003 0.000 0.261 37 G C 0.268 175.174 174.900 0.009 0.000 0.980 37 G CA -0.059 45.018 45.100 -0.038 0.000 0.632 37 G HN 0.447 nan 8.290 nan 0.000 0.533 38 R N 1.067 121.593 120.500 0.043 0.000 2.401 38 R HA 0.298 4.640 4.340 0.003 0.000 0.299 38 R C 0.768 177.139 176.300 0.118 0.000 1.064 38 R CA -0.155 55.971 56.100 0.044 0.000 1.000 38 R CB 0.512 30.823 30.300 0.018 0.000 0.973 38 R HN 0.380 nan 8.270 nan 0.000 0.438 39 K N 4.228 124.683 120.400 0.093 0.000 2.401 39 K HA 0.031 4.353 4.320 0.003 0.000 0.278 39 K C 0.990 177.533 176.600 -0.096 0.000 1.018 39 K CA 0.127 56.390 56.287 -0.040 0.000 0.981 39 K CB 0.465 32.822 32.500 -0.238 0.000 0.933 39 K HN 0.669 nan 8.250 nan 0.000 0.477 40 I N -1.123 119.461 120.570 0.023 0.000 4.526 40 I HA 0.247 4.419 4.170 0.003 0.000 0.330 40 I C -0.288 176.067 176.117 0.397 0.000 1.323 40 I CA -0.590 60.854 61.300 0.240 0.000 1.218 40 I CB 0.967 39.047 38.000 0.133 0.000 1.233 40 I HN 0.232 nan 8.210 nan 0.000 0.430 41 S N 0.643 116.517 115.700 0.290 0.000 2.596 41 S HA 0.610 5.082 4.470 0.003 0.000 0.270 41 S C -1.325 173.446 174.600 0.284 0.000 1.155 41 S CA -0.521 57.854 58.200 0.292 0.000 0.827 41 S CB 2.772 66.005 63.200 0.054 0.000 1.130 41 S HN 0.403 nan 8.310 nan 0.000 0.467 42 Q N 1.817 121.765 119.800 0.245 0.000 2.520 42 Q HA 0.321 4.663 4.340 0.003 0.000 0.237 42 Q C -2.258 173.796 176.000 0.091 0.000 0.875 42 Q CA -0.402 55.512 55.803 0.186 0.000 1.028 42 Q CB 0.584 29.521 28.738 0.331 0.000 1.534 42 Q HN 0.607 nan 8.270 nan 0.000 0.471 43 L N 3.136 124.324 121.223 -0.058 0.000 2.296 43 L HA 0.569 4.911 4.340 0.003 0.000 0.286 43 L C -0.719 175.903 176.870 -0.413 0.000 1.023 43 L CA -0.789 53.850 54.840 -0.335 0.000 0.812 43 L CB 1.378 43.195 42.059 -0.404 0.000 1.223 43 L HN 0.643 nan 8.230 nan 0.000 0.421 44 D N 3.091 123.201 120.400 -0.482 0.000 2.373 44 D HA 0.252 4.894 4.640 0.003 0.000 0.227 44 D C -0.759 175.141 176.300 -0.667 0.000 1.091 44 D CA 0.047 53.788 54.000 -0.431 0.000 0.840 44 D CB 0.993 41.685 40.800 -0.181 0.000 1.060 44 D HN 0.295 nan 8.370 nan 0.000 0.502 45 W N 2.818 123.771 121.300 -0.578 0.000 2.316 45 W HA 0.250 4.913 4.660 0.005 0.000 0.339 45 W C 0.972 177.172 176.519 -0.532 0.000 1.002 45 W CA -0.816 55.998 57.345 -0.886 0.000 1.465 45 W CB 0.790 29.248 29.460 -1.668 0.000 1.300 45 W HN -0.057 nan 8.180 nan 0.000 0.378 46 K N 3.086 123.439 120.400 -0.078 0.000 2.218 46 K HA 0.382 4.704 4.320 0.003 0.000 0.276 46 K C -0.551 176.330 176.600 0.470 0.000 1.022 46 K CA -0.758 55.617 56.287 0.146 0.000 0.946 46 K CB 0.891 33.440 32.500 0.081 0.000 1.000 46 K HN 0.474 nan 8.250 nan 0.000 0.468 47 I N 2.607 123.412 120.570 0.390 0.000 2.436 47 I HA 0.282 4.453 4.170 0.003 0.000 0.289 47 I C -1.491 174.744 176.117 0.197 0.000 1.010 47 I CA -0.303 61.197 61.300 0.334 0.000 1.098 47 I CB 1.314 39.455 38.000 0.235 0.000 1.266 47 I HN 0.433 nan 8.210 nan 0.000 0.434 48 K N 4.507 125.004 120.400 0.162 0.000 2.413 48 K HA 0.466 4.788 4.320 0.003 0.000 0.257 48 K C 0.107 176.761 176.600 0.089 0.000 0.946 48 K CA -0.185 56.170 56.287 0.114 0.000 0.823 48 K CB 0.963 33.523 32.500 0.100 0.000 1.109 48 K HN 0.811 nan 8.250 nan 0.000 0.427 49 N N -0.561 118.183 118.700 0.072 0.000 2.765 49 N HA -0.240 4.502 4.740 0.003 0.000 0.248 49 N C -0.689 174.849 175.510 0.046 0.000 1.063 49 N CA 1.168 54.249 53.050 0.053 0.000 0.862 49 N CB -1.788 36.727 38.487 0.047 0.000 1.145 49 N HN 0.339 nan 8.380 nan 0.000 0.581 50 V N 0.315 120.261 119.914 0.053 0.000 2.752 50 V HA 0.297 4.419 4.120 0.003 0.000 0.306 50 V C 1.509 177.620 176.094 0.027 0.000 1.099 50 V CA 0.431 62.759 62.300 0.047 0.000 1.240 50 V CB 0.027 31.885 31.823 0.058 0.000 0.887 50 V HN 0.576 nan 8.190 nan 0.000 0.499 51 A N 6.960 129.801 122.820 0.035 0.000 2.302 51 A HA 0.837 5.158 4.320 0.003 0.000 0.285 51 A C -0.251 177.355 177.584 0.038 0.000 1.105 51 A CA -0.423 51.630 52.037 0.027 0.000 0.816 51 A CB 0.713 19.733 19.000 0.034 0.000 1.067 51 A HN 1.003 nan 8.150 nan 0.000 0.489 52 I N -0.365 120.221 120.570 0.027 0.000 3.195 52 I HA 0.702 4.874 4.170 0.003 0.000 0.313 52 I C -2.292 173.880 176.117 0.092 0.000 1.237 52 I CA -1.046 60.295 61.300 0.069 0.000 0.963 52 I CB 1.828 39.834 38.000 0.010 0.000 1.278 52 I HN 0.555 nan 8.210 nan 0.000 0.460 53 L N 3.668 124.988 121.223 0.162 0.000 2.345 53 L HA 0.535 4.877 4.340 0.003 0.000 0.274 53 L C -0.433 176.577 176.870 0.233 0.000 0.999 53 L CA -0.133 54.802 54.840 0.158 0.000 0.849 53 L CB 1.007 43.144 42.059 0.130 0.000 1.220 53 L HN 0.746 nan 8.230 nan 0.000 0.422 54 K N 2.669 123.205 120.400 0.226 0.000 2.110 54 K HA 0.855 5.176 4.320 0.003 0.000 0.263 54 K C -0.477 176.269 176.600 0.243 0.000 0.975 54 K CA -0.554 55.911 56.287 0.297 0.000 0.895 54 K CB 1.493 34.161 32.500 0.280 0.000 1.060 54 K HN 0.756 nan 8.250 nan 0.000 0.448 55 G N 1.603 110.545 108.800 0.236 0.000 2.706 55 G HA2 0.336 4.298 3.960 0.003 0.000 0.297 55 G HA3 0.336 4.298 3.960 0.003 0.000 0.297 55 G C -1.977 173.029 174.900 0.176 0.000 1.403 55 G CA -0.330 44.886 45.100 0.193 0.000 0.954 55 G HN 0.556 nan 8.290 nan 0.000 0.500 56 D N 0.673 121.174 120.400 0.167 0.000 2.990 56 D HA 0.420 5.062 4.640 0.003 0.000 0.227 56 D C -1.345 175.047 176.300 0.154 0.000 1.249 56 D CA -0.443 53.644 54.000 0.145 0.000 0.891 56 D CB 2.186 43.057 40.800 0.118 0.000 1.647 56 D HN 0.274 nan 8.370 nan 0.000 0.530 57 I N 2.264 122.924 120.570 0.149 0.000 2.466 57 I HA 0.448 4.619 4.170 0.003 0.000 0.289 57 I C -1.228 174.985 176.117 0.161 0.000 1.026 57 I CA -0.437 60.969 61.300 0.177 0.000 1.078 57 I CB 1.539 39.643 38.000 0.173 0.000 1.249 57 I HN 0.313 nan 8.210 nan 0.000 0.429 58 S N 7.933 123.740 115.700 0.179 0.000 2.789 58 S HA 0.282 4.754 4.470 0.003 0.000 0.286 58 S C -0.757 173.916 174.600 0.123 0.000 1.153 58 S CA -0.572 57.703 58.200 0.126 0.000 1.084 58 S CB 1.128 64.376 63.200 0.079 0.000 1.036 58 S HN 0.697 nan 8.310 nan 0.000 0.484 59 W N 2.857 124.064 121.300 -0.156 0.000 2.215 59 W HA 0.464 5.125 4.660 0.002 0.000 0.342 59 W C -1.174 175.167 176.519 -0.297 0.000 1.237 59 W CA -0.131 56.977 57.345 -0.395 0.000 1.283 59 W CB 0.814 30.035 29.460 -0.398 0.000 1.131 59 W HN 0.559 nan 8.180 nan 0.000 0.606 60 D N 4.072 123.648 120.400 -1.373 0.000 2.846 60 D HA 0.228 4.870 4.640 0.003 0.000 0.279 60 D C -1.786 173.458 176.300 -1.759 0.000 1.222 60 D CA -1.326 51.953 54.000 -1.202 0.000 0.769 60 D CB 1.222 41.661 40.800 -0.601 0.000 1.299 60 D HN -0.063 nan 8.370 nan 0.000 0.537 61 P HA -0.137 nan 4.420 nan 0.000 0.214 61 P C -0.448 176.103 177.300 -1.249 0.000 1.163 61 P CA 1.494 63.574 63.100 -1.700 0.000 0.889 61 P CB 0.140 31.060 31.700 -1.300 0.000 0.790 62 Y N -3.788 116.063 120.300 -0.749 0.000 2.602 62 Y HA 0.396 4.947 4.550 0.002 0.000 0.342 62 Y C 1.672 177.120 175.900 -0.753 0.000 1.029 62 Y CA -1.044 56.589 58.100 -0.780 0.000 1.080 62 Y CB 0.026 37.717 38.460 -1.281 0.000 1.284 62 Y HN -0.387 nan 8.280 nan 0.000 0.485 63 S N 0.502 116.015 115.700 -0.312 0.000 2.528 63 S HA -0.130 4.341 4.470 0.003 0.000 0.244 63 S C 0.587 175.245 174.600 0.096 0.000 0.982 63 S CA 1.437 59.600 58.200 -0.062 0.000 0.953 63 S CB -0.781 62.476 63.200 0.094 0.000 0.754 63 S HN 0.676 nan 8.310 nan 0.000 0.529 64 F N -1.494 118.565 119.950 0.181 0.000 2.838 64 F HA 0.628 5.156 4.527 0.002 0.000 0.329 64 F C -0.407 175.460 175.800 0.112 0.000 1.116 64 F CA -0.988 57.160 58.000 0.246 0.000 1.155 64 F CB 0.376 39.460 39.000 0.141 0.000 1.106 64 F HN -0.015 nan 8.300 nan 0.000 0.538 65 L N 2.635 123.727 121.223 -0.219 0.000 2.406 65 L HA 0.635 4.977 4.340 0.003 0.000 0.270 65 L C -0.479 176.254 176.870 -0.228 0.000 0.982 65 L CA -0.489 54.260 54.840 -0.150 0.000 0.843 65 L CB 1.687 43.702 42.059 -0.074 0.000 1.225 65 L HN 0.275 nan 8.230 nan 0.000 0.412 66 T N 3.119 117.560 114.554 -0.188 0.000 2.829 66 T HA 0.750 5.102 4.350 0.003 0.000 0.280 66 T C -0.778 173.842 174.700 -0.133 0.000 0.999 66 T CA -0.538 61.453 62.100 -0.182 0.000 0.983 66 T CB 1.200 70.002 68.868 -0.111 0.000 0.968 66 T HN 0.436 nan 8.240 nan 0.000 0.446 67 L N 4.127 125.281 121.223 -0.113 0.000 2.353 67 L HA 0.452 4.794 4.340 0.003 0.000 0.270 67 L C -0.099 176.789 176.870 0.030 0.000 1.003 67 L CA -0.494 54.331 54.840 -0.025 0.000 0.862 67 L CB 1.063 43.131 42.059 0.015 0.000 1.221 67 L HN 0.762 nan 8.230 nan 0.000 0.430 68 N N 2.172 120.895 118.700 0.039 0.000 2.473 68 N HA 0.767 5.509 4.740 0.003 0.000 0.291 68 N C -0.572 174.994 175.510 0.092 0.000 1.083 68 N CA -0.671 52.421 53.050 0.069 0.000 0.951 68 N CB 1.919 40.446 38.487 0.066 0.000 1.164 68 N HN 0.519 nan 8.380 nan 0.000 0.480 69 A N 2.401 125.284 122.820 0.105 0.000 2.311 69 A HA 0.556 4.878 4.320 0.003 0.000 0.306 69 A C -0.413 177.242 177.584 0.119 0.000 1.189 69 A CA -0.763 51.341 52.037 0.111 0.000 0.791 69 A CB 0.627 19.685 19.000 0.096 0.000 1.172 69 A HN 0.747 nan 8.150 nan 0.000 0.481 70 R N 1.425 122.004 120.500 0.131 0.000 2.855 70 R HA 0.918 5.260 4.340 0.003 0.000 0.266 70 R C -0.174 176.201 176.300 0.124 0.000 1.034 70 R CA -0.747 55.432 56.100 0.133 0.000 0.944 70 R CB 2.032 32.411 30.300 0.132 0.000 1.219 70 R HN 1.383 nan 8.270 nan 0.000 0.474 71 G N 0.290 109.161 108.800 0.119 0.000 2.340 71 G HA2 0.348 4.310 3.960 0.003 0.000 0.300 71 G HA3 0.348 4.310 3.960 0.003 0.000 0.300 71 G C -2.102 172.868 174.900 0.117 0.000 1.488 71 G CA -0.964 44.146 45.100 0.017 0.000 0.878 71 G HN 0.673 nan 8.290 nan 0.000 0.618 72 W N -0.844 120.502 121.300 0.078 0.000 3.042 72 W HA 0.825 5.488 4.660 0.006 0.000 0.342 72 W C -1.286 175.265 176.519 0.053 0.000 1.240 72 W CA -0.772 56.615 57.345 0.070 0.000 1.166 72 W CB 1.510 31.017 29.460 0.077 0.000 1.469 72 W HN 1.034 nan 8.180 nan 0.000 0.579 73 T N 0.398 115.265 114.554 0.522 0.000 2.916 73 T HA 0.296 4.648 4.350 0.003 0.000 0.305 73 T C -0.826 174.100 174.700 0.377 0.000 1.119 73 T CA -0.300 62.022 62.100 0.369 0.000 1.008 73 T CB 1.742 70.695 68.868 0.141 0.000 1.129 73 T HN 0.631 nan 8.240 nan 0.000 0.480 74 S N 3.405 119.306 115.700 0.334 0.000 2.544 74 S HA 0.128 4.600 4.470 0.003 0.000 0.290 74 S C 1.558 176.248 174.600 0.150 0.000 1.276 74 S CA -0.336 58.001 58.200 0.228 0.000 1.075 74 S CB -0.295 63.036 63.200 0.220 0.000 0.849 74 S HN 0.612 nan 8.310 nan 0.000 0.494 75 L N 3.912 125.205 121.223 0.117 0.000 2.109 75 L HA 0.212 4.554 4.340 0.003 0.000 0.207 75 L C 1.139 178.052 176.870 0.072 0.000 1.086 75 L CA 0.987 55.878 54.840 0.085 0.000 0.760 75 L CB -0.481 41.620 42.059 0.070 0.000 0.910 75 L HN 0.833 nan 8.230 nan 0.000 0.437 76 A N -1.779 121.088 122.820 0.077 0.000 2.511 76 A HA 0.373 4.695 4.320 0.003 0.000 0.293 76 A C -0.628 177.001 177.584 0.074 0.000 1.098 76 A CA -0.452 51.627 52.037 0.070 0.000 0.643 76 A CB 0.670 19.703 19.000 0.054 0.000 1.302 76 A HN -0.192 nan 8.150 nan 0.000 0.446 77 S N -0.616 115.124 115.700 0.068 0.000 2.593 77 S HA 0.421 4.893 4.470 0.003 0.000 0.300 77 S C 0.542 175.177 174.600 0.058 0.000 1.267 77 S CA 0.843 59.079 58.200 0.060 0.000 1.065 77 S CB -0.290 62.944 63.200 0.056 0.000 0.807 77 S HN 1.726 nan 8.310 nan 0.000 0.499 78 G N 2.208 111.041 108.800 0.055 0.000 2.788 78 G HA2 0.552 4.513 3.960 0.003 0.000 0.293 78 G HA3 0.552 4.513 3.960 0.003 0.000 0.293 78 G C -0.845 174.104 174.900 0.082 0.000 1.305 78 G CA -0.639 44.499 45.100 0.063 0.000 1.005 78 G HN 0.731 nan 8.290 nan 0.000 0.496 79 S N -0.925 114.828 115.700 0.090 0.000 2.474 79 S HA 0.643 5.115 4.470 0.003 0.000 0.276 79 S C 0.599 175.292 174.600 0.155 0.000 1.227 79 S CA 0.301 58.567 58.200 0.110 0.000 1.050 79 S CB 0.222 63.475 63.200 0.087 0.000 0.939 79 S HN 1.147 nan 8.310 nan 0.000 0.490 80 G N 3.060 111.982 108.800 0.203 0.000 3.243 80 G HA2 0.630 4.591 3.960 0.003 0.000 0.248 80 G HA3 0.630 4.591 3.960 0.003 0.000 0.248 80 G C -1.109 173.919 174.900 0.213 0.000 1.267 80 G CA -0.599 44.677 45.100 0.294 0.000 0.906 80 G HN 0.715 nan 8.290 nan 0.000 0.592 81 N N -1.574 117.247 118.700 0.202 0.000 3.185 81 N HA 0.520 5.261 4.740 0.003 0.000 0.238 81 N C -1.798 173.657 175.510 -0.093 0.000 1.451 81 N CA -0.517 52.572 53.050 0.064 0.000 0.888 81 N CB 1.981 40.490 38.487 0.036 0.000 1.413 81 N HN 0.577 nan 8.380 nan 0.000 0.511 82 M N 1.777 121.257 119.600 -0.200 0.000 2.373 82 M HA 0.344 4.826 4.480 0.003 0.000 0.290 82 M C -2.262 173.822 176.300 -0.360 0.000 1.143 82 M CA -0.248 54.739 55.300 -0.522 0.000 0.949 82 M CB 1.580 33.616 32.600 -0.940 0.000 1.756 82 M HN 0.572 nan 8.290 nan 0.000 0.494 83 D N 2.453 122.580 120.400 -0.454 0.000 2.646 83 D HA 0.416 5.058 4.640 0.003 0.000 0.245 83 D C -1.544 174.401 176.300 -0.591 0.000 1.099 83 D CA -0.178 53.570 54.000 -0.419 0.000 0.849 83 D CB 2.576 43.214 40.800 -0.271 0.000 1.448 83 D HN 0.458 nan 8.370 nan 0.000 0.489 84 D N 2.013 122.034 120.400 -0.631 0.000 2.471 84 D HA 0.234 4.876 4.640 0.003 0.000 0.245 84 D C -1.374 174.569 176.300 -0.595 0.000 1.116 84 D CA -0.337 53.377 54.000 -0.476 0.000 0.853 84 D CB 0.475 41.148 40.800 -0.211 0.000 1.123 84 D HN 0.213 nan 8.370 nan 0.000 0.540 85 Y N 1.002 121.131 120.300 -0.285 0.000 2.446 85 Y HA 0.717 5.268 4.550 0.002 0.000 0.338 85 Y C 0.372 176.020 175.900 -0.420 0.000 1.055 85 Y CA -1.102 56.667 58.100 -0.551 0.000 1.101 85 Y CB 2.248 40.111 38.460 -0.994 0.000 1.221 85 Y HN 0.397 nan 8.280 nan 0.000 0.460 86 A N 2.493 125.145 122.820 -0.281 0.000 2.408 86 A HA 0.480 4.802 4.320 0.003 0.000 0.295 86 A C -1.732 175.818 177.584 -0.058 0.000 1.040 86 A CA -0.725 51.280 52.037 -0.053 0.000 0.707 86 A CB 0.905 19.893 19.000 -0.020 0.000 1.235 86 A HN 0.841 nan 8.150 nan 0.000 0.418 87 W N 4.372 125.766 121.300 0.156 0.000 2.228 87 W HA 0.203 4.864 4.660 0.002 0.000 0.364 87 W C 0.230 176.799 176.519 0.084 0.000 0.917 87 W CA -0.695 56.736 57.345 0.144 0.000 1.513 87 W CB 0.843 30.376 29.460 0.122 0.000 1.494 87 W HN 0.649 nan 8.180 nan 0.000 0.346 88 M N 0.336 120.059 119.600 0.205 0.000 2.506 88 M HA -0.048 4.433 4.480 0.003 0.000 0.260 88 M C 0.459 176.832 176.300 0.122 0.000 1.104 88 M CA 0.762 56.141 55.300 0.131 0.000 1.112 88 M CB -0.799 31.842 32.600 0.069 0.000 1.401 88 M HN 0.270 nan 8.290 nan 0.000 0.473 89 N N 1.093 119.879 118.700 0.143 0.000 2.424 89 N HA 0.066 4.807 4.740 0.003 0.000 0.271 89 N C 0.618 176.202 175.510 0.124 0.000 0.985 89 N CA -0.013 53.104 53.050 0.112 0.000 0.921 89 N CB 1.742 40.283 38.487 0.091 0.000 1.149 89 N HN 0.067 nan 8.380 nan 0.000 0.492 90 E N 2.382 122.636 120.200 0.089 0.000 2.106 90 E HA -0.174 4.178 4.350 0.003 0.000 0.192 90 E C 0.350 176.987 176.600 0.060 0.000 0.984 90 E CA 0.712 57.156 56.400 0.073 0.000 0.806 90 E CB 0.109 29.840 29.700 0.052 0.000 0.750 90 E HN 0.572 nan 8.360 nan 0.000 0.458 91 N N 1.340 120.073 118.700 0.054 0.000 2.482 91 N HA -0.036 4.706 4.740 0.003 0.000 0.260 91 N C -1.166 174.381 175.510 0.061 0.000 1.236 91 N CA 0.419 53.495 53.050 0.044 0.000 0.938 91 N CB 0.897 39.404 38.487 0.033 0.000 1.128 91 N HN 0.257 nan 8.380 nan 0.000 0.448 92 Q N 0.498 120.329 119.800 0.051 0.000 3.355 92 Q HA -0.150 4.192 4.340 0.003 0.000 0.090 92 Q C -0.810 175.243 176.000 0.088 0.000 1.419 92 Q CA 0.394 56.231 55.803 0.056 0.000 0.839 92 Q CB -1.170 27.604 28.738 0.061 0.000 0.929 92 Q HN 0.674 nan 8.270 nan 0.000 0.448 93 S N 2.243 117.976 115.700 0.055 0.000 2.335 93 S HA -0.011 4.460 4.470 0.003 0.000 0.217 93 S C 0.444 175.157 174.600 0.189 0.000 1.032 93 S CA 1.348 59.590 58.200 0.070 0.000 0.985 93 S CB 0.082 63.287 63.200 0.008 0.000 0.896 93 S HN 0.490 nan 8.310 nan 0.000 0.445 94 E N 0.045 120.268 120.200 0.038 0.000 2.371 94 E HA 0.206 4.557 4.350 0.003 0.000 0.257 94 E C -0.440 176.122 176.600 -0.063 0.000 1.134 94 E CA -0.566 55.738 56.400 -0.160 0.000 0.919 94 E CB 0.437 29.764 29.700 -0.621 0.000 1.025 94 E HN 0.516 nan 8.360 nan 0.000 0.438 95 W N 0.904 121.955 121.300 -0.414 0.000 2.124 95 W HA 0.064 4.725 4.660 0.003 0.000 0.356 95 W C 1.052 177.408 176.519 -0.271 0.000 1.302 95 W CA 0.339 57.137 57.345 -0.912 0.000 1.293 95 W CB -0.125 28.723 29.460 -1.020 0.000 1.199 95 W HN 0.457 nan 8.180 nan 0.000 0.606 96 T N -2.868 111.707 114.554 0.034 0.000 3.034 96 T HA 0.115 4.467 4.350 0.003 0.000 0.248 96 T C -0.196 174.645 174.700 0.234 0.000 1.040 96 T CA 0.279 62.439 62.100 0.099 0.000 1.107 96 T CB -0.154 68.765 68.868 0.085 0.000 0.932 96 T HN 0.368 nan 8.240 nan 0.000 0.474 97 D N 1.030 121.559 120.400 0.216 0.000 2.248 97 D HA 0.476 5.117 4.640 0.003 0.000 0.246 97 D C -0.882 175.582 176.300 0.275 0.000 1.027 97 D CA -0.352 53.789 54.000 0.234 0.000 0.853 97 D CB 1.049 41.788 40.800 -0.101 0.000 1.243 97 D HN 0.440 nan 8.370 nan 0.000 0.462 98 H N 0.272 119.472 119.070 0.217 0.000 3.287 98 H HA 0.292 4.849 4.556 0.002 0.000 0.330 98 H C -1.456 173.839 175.328 -0.055 0.000 1.064 98 H CA -0.523 55.422 56.048 -0.170 0.000 1.544 98 H CB 0.794 30.381 29.762 -0.291 0.000 1.918 98 H HN 0.396 nan 8.280 nan 0.000 0.477 99 S N 3.415 118.904 115.700 -0.352 0.000 2.608 99 S HA 0.573 5.045 4.470 0.003 0.000 0.291 99 S C -0.180 173.954 174.600 -0.775 0.000 1.146 99 S CA -0.847 57.108 58.200 -0.408 0.000 1.043 99 S CB 2.336 65.647 63.200 0.185 0.000 1.037 99 S HN 0.471 nan 8.310 nan 0.000 0.520 100 S N 0.556 115.753 115.700 -0.838 0.000 2.538 100 S HA 0.493 4.964 4.470 0.003 0.000 0.288 100 S C -1.515 172.612 174.600 -0.789 0.000 1.108 100 S CA -0.716 57.082 58.200 -0.670 0.000 0.971 100 S CB 0.621 63.549 63.200 -0.454 0.000 1.041 100 S HN 0.822 nan 8.310 nan 0.000 0.483 101 H N 4.018 123.005 119.070 -0.139 0.000 2.488 101 H HA 0.244 4.802 4.556 0.003 0.000 0.237 101 H C -2.411 172.890 175.328 -0.045 0.000 1.395 101 H CA -1.363 54.644 56.048 -0.069 0.000 1.491 101 H CB 1.075 30.783 29.762 -0.091 0.000 1.567 101 H HN 0.413 nan 8.280 nan 0.000 0.508 102 P HA -0.090 nan 4.420 nan 0.000 0.221 102 P C 1.240 178.586 177.300 0.077 0.000 1.145 102 P CA 0.852 63.975 63.100 0.039 0.000 0.795 102 P CB 0.290 31.999 31.700 0.015 0.000 0.775 103 A N -0.685 122.193 122.820 0.098 0.000 2.648 103 A HA 0.176 4.497 4.320 0.003 0.000 0.269 103 A C 0.403 178.069 177.584 0.137 0.000 1.392 103 A CA 0.206 52.306 52.037 0.106 0.000 1.019 103 A CB -1.257 17.802 19.000 0.098 0.000 1.009 103 A HN 0.026 nan 8.150 nan 0.000 0.565 104 T N 1.694 116.345 114.554 0.162 0.000 2.780 104 T HA 0.178 4.530 4.350 0.003 0.000 0.294 104 T C 0.087 174.944 174.700 0.263 0.000 0.949 104 T CA -0.303 61.937 62.100 0.234 0.000 1.074 104 T CB 0.330 69.353 68.868 0.259 0.000 0.910 104 T HN 0.424 nan 8.240 nan 0.000 0.501 105 N N 2.444 121.297 118.700 0.255 0.000 2.434 105 N HA 0.226 4.968 4.740 0.003 0.000 0.272 105 N C -0.500 175.132 175.510 0.204 0.000 1.040 105 N CA -0.286 52.881 53.050 0.195 0.000 0.956 105 N CB 1.680 40.245 38.487 0.129 0.000 1.108 105 N HN 0.274 nan 8.380 nan 0.000 0.481 106 V N 4.363 124.343 119.914 0.110 0.000 2.276 106 V HA 0.045 4.167 4.120 0.003 0.000 0.249 106 V C 1.439 177.466 176.094 -0.113 0.000 1.160 106 V CA -0.306 61.930 62.300 -0.108 0.000 1.042 106 V CB -0.833 30.921 31.823 -0.114 0.000 1.224 106 V HN 0.637 nan 8.190 nan 0.000 0.496 107 N N 2.715 121.327 118.700 -0.146 0.000 2.036 107 N HA -0.160 4.582 4.740 0.003 0.000 0.199 107 N C 0.616 176.086 175.510 -0.067 0.000 1.036 107 N CA 1.955 54.931 53.050 -0.123 0.000 0.870 107 N CB -0.084 38.273 38.487 -0.218 0.000 1.055 107 N HN 0.910 nan 8.380 nan 0.000 0.436 108 H N -2.864 116.162 119.070 -0.072 0.000 2.969 108 H HA 0.696 5.253 4.556 0.002 0.000 0.304 108 H C -1.963 173.341 175.328 -0.040 0.000 1.400 108 H CA -1.028 55.001 56.048 -0.033 0.000 1.182 108 H CB 1.133 30.879 29.762 -0.026 0.000 1.865 108 H HN 0.077 nan 8.280 nan 0.000 0.512 109 A N 1.985 124.962 122.820 0.263 0.000 2.547 109 A HA 0.548 4.870 4.320 0.003 0.000 0.297 109 A C -1.344 176.371 177.584 0.219 0.000 1.056 109 A CA -0.377 51.806 52.037 0.244 0.000 0.688 109 A CB 1.937 21.227 19.000 0.483 0.000 1.282 109 A HN 1.031 nan 8.150 nan 0.000 0.400 110 N N 1.334 119.902 118.700 -0.221 0.000 2.859 110 N HA 0.508 5.250 4.740 0.003 0.000 0.250 110 N C -1.605 173.254 175.510 -1.085 0.000 1.341 110 N CA -0.583 52.098 53.050 -0.614 0.000 0.881 110 N CB 2.118 40.445 38.487 -0.267 0.000 1.516 110 N HN 0.734 nan 8.380 nan 0.000 0.503 111 E N 0.403 119.817 120.200 -1.309 0.000 2.390 111 E HA 0.358 4.710 4.350 0.003 0.000 0.277 111 E C -1.804 174.477 176.600 -0.532 0.000 0.939 111 E CA -0.537 55.269 56.400 -0.989 0.000 0.769 111 E CB 2.418 31.388 29.700 -1.217 0.000 1.251 111 E HN 0.597 nan 8.360 nan 0.000 0.450 112 Y N 0.304 120.395 120.300 -0.348 0.000 2.576 112 Y HA 0.734 5.284 4.550 -0.000 0.000 0.346 112 Y C -1.274 174.571 175.900 -0.092 0.000 1.018 112 Y CA -1.065 56.925 58.100 -0.183 0.000 1.050 112 Y CB 1.907 40.301 38.460 -0.109 0.000 1.280 112 Y HN 0.293 nan 8.280 nan 0.000 0.474 113 D N 2.594 123.088 120.400 0.157 0.000 2.616 113 D HA 0.316 4.957 4.640 0.003 0.000 0.238 113 D C -1.785 174.653 176.300 0.230 0.000 1.354 113 D CA -0.269 53.813 54.000 0.137 0.000 0.970 113 D CB 1.249 42.100 40.800 0.085 0.000 1.369 113 D HN 0.770 nan 8.370 nan 0.000 0.585 114 L N 4.138 125.524 121.223 0.273 0.000 2.257 114 L HA 0.476 4.818 4.340 0.003 0.000 0.290 114 L C 0.455 177.401 176.870 0.127 0.000 1.044 114 L CA -0.678 54.280 54.840 0.196 0.000 0.810 114 L CB 0.914 43.090 42.059 0.196 0.000 1.193 114 L HN 0.340 nan 8.230 nan 0.000 0.425 115 N N 3.094 121.851 118.700 0.096 0.000 2.229 115 N HA 0.555 5.297 4.740 0.003 0.000 0.298 115 N C -1.982 173.533 175.510 0.008 0.000 1.114 115 N CA -0.397 52.687 53.050 0.056 0.000 0.776 115 N CB 3.310 41.894 38.487 0.161 0.000 1.501 115 N HN 0.360 nan 8.380 nan 0.000 0.474 116 V N 1.725 121.615 119.914 -0.039 0.000 2.789 116 V HA 0.594 4.716 4.120 0.003 0.000 0.311 116 V C -1.088 174.954 176.094 -0.086 0.000 1.073 116 V CA -0.600 61.668 62.300 -0.052 0.000 0.921 116 V CB 1.816 33.611 31.823 -0.046 0.000 1.009 116 V HN 0.795 nan 8.190 nan 0.000 0.426 117 K N 3.408 123.725 120.400 -0.138 0.000 2.318 117 K HA 0.842 5.164 4.320 0.003 0.000 0.249 117 K C -0.488 175.936 176.600 -0.294 0.000 0.942 117 K CA -0.293 55.839 56.287 -0.258 0.000 0.808 117 K CB 2.162 34.435 32.500 -0.378 0.000 1.189 117 K HN 0.985 nan 8.250 nan 0.000 0.428 118 G N 2.311 110.907 108.800 -0.341 0.000 2.707 118 G HA2 0.375 4.337 3.960 0.003 0.000 0.299 118 G HA3 0.375 4.337 3.960 0.003 0.000 0.299 118 G C -1.811 172.952 174.900 -0.229 0.000 1.442 118 G CA -0.689 44.291 45.100 -0.199 0.000 1.009 118 G HN 0.526 nan 8.290 nan 0.000 0.515 119 W N 2.806 124.185 121.300 0.131 0.000 2.335 119 W HA 0.368 5.030 4.660 0.005 0.000 0.306 119 W C 0.594 177.152 176.519 0.066 0.000 1.216 119 W CA -1.029 56.377 57.345 0.101 0.000 1.237 119 W CB 1.687 31.214 29.460 0.111 0.000 1.243 119 W HN 0.183 nan 8.180 nan 0.000 0.493 120 L N 4.130 125.532 121.223 0.298 0.000 2.616 120 L HA 0.394 4.736 4.340 0.003 0.000 0.229 120 L C 0.000 176.950 176.870 0.133 0.000 1.110 120 L CA 0.329 55.258 54.840 0.148 0.000 0.884 120 L CB -1.035 41.083 42.059 0.099 0.000 1.115 120 L HN 0.436 nan 8.230 nan 0.000 0.481 121 L N -0.109 121.227 121.223 0.188 0.000 2.545 121 L HA 0.439 4.780 4.340 0.003 0.000 0.258 121 L C -1.430 175.487 176.870 0.077 0.000 0.942 121 L CA -0.285 54.627 54.840 0.120 0.000 0.855 121 L CB 2.426 44.565 42.059 0.133 0.000 1.374 121 L HN 0.071 nan 8.230 nan 0.000 0.411 122 Q N 2.803 122.624 119.800 0.034 0.000 2.263 122 Q HA 0.306 4.647 4.340 0.003 0.000 0.262 122 Q C -1.945 174.069 176.000 0.023 0.000 0.984 122 Q CA -0.547 55.254 55.803 -0.004 0.000 0.813 122 Q CB 1.961 30.671 28.738 -0.047 0.000 1.299 122 Q HN 0.581 nan 8.270 nan 0.000 0.428 123 D N 4.074 124.509 120.400 0.058 0.000 2.607 123 D HA 0.218 4.860 4.640 0.003 0.000 0.318 123 D C -0.104 176.278 176.300 0.136 0.000 1.212 123 D CA 0.153 54.198 54.000 0.074 0.000 0.861 123 D CB 0.314 41.143 40.800 0.049 0.000 1.064 123 D HN 0.710 nan 8.370 nan 0.000 0.500 124 E N 0.565 120.811 120.200 0.076 0.000 2.926 124 E HA -0.294 4.057 4.350 0.003 0.000 0.368 124 E C 0.397 177.013 176.600 0.027 0.000 1.421 124 E CA 1.197 57.639 56.400 0.070 0.000 1.160 124 E CB -1.188 28.582 29.700 0.117 0.000 1.665 124 E HN 0.543 nan 8.360 nan 0.000 0.531 125 N N -0.155 118.587 118.700 0.069 0.000 2.467 125 N HA -0.004 4.737 4.740 0.003 0.000 0.184 125 N C -0.052 175.237 175.510 -0.368 0.000 1.106 125 N CA 0.199 53.103 53.050 -0.243 0.000 0.892 125 N CB 0.161 38.401 38.487 -0.412 0.000 0.969 125 N HN 0.108 nan 8.380 nan 0.000 0.454 126 Y N 0.678 120.969 120.300 -0.015 0.000 2.509 126 Y HA 0.429 4.981 4.550 0.003 0.000 0.341 126 Y C -0.003 175.847 175.900 -0.083 0.000 1.038 126 Y CA -1.053 57.060 58.100 0.022 0.000 1.089 126 Y CB 1.486 40.009 38.460 0.106 0.000 1.241 126 Y HN -0.183 nan 8.280 nan 0.000 0.468 127 K N 0.684 121.095 120.400 0.017 0.000 2.568 127 K HA 0.959 5.281 4.320 0.003 0.000 0.273 127 K C -2.146 174.471 176.600 0.029 0.000 0.951 127 K CA -0.914 55.308 56.287 -0.107 0.000 0.854 127 K CB 2.123 34.359 32.500 -0.440 0.000 1.424 127 K HN 0.789 nan 8.250 nan 0.000 0.427 128 A N 0.793 123.780 122.820 0.279 0.000 2.556 128 A HA 0.947 5.269 4.320 0.003 0.000 0.294 128 A C -0.742 177.233 177.584 0.652 0.000 1.091 128 A CA -0.285 52.091 52.037 0.565 0.000 0.704 128 A CB 1.817 21.004 19.000 0.311 0.000 1.300 128 A HN 1.146 nan 8.150 nan 0.000 0.406 129 G N -0.767 108.273 108.800 0.401 0.000 2.554 129 G HA2 0.632 4.594 3.960 0.003 0.000 0.306 129 G HA3 0.632 4.594 3.960 0.003 0.000 0.306 129 G C -0.997 173.901 174.900 -0.002 0.000 1.320 129 G CA 0.033 45.207 45.100 0.123 0.000 0.800 129 G HN 1.558 nan 8.290 nan 0.000 0.481 130 I N -1.449 119.089 120.570 -0.053 0.000 2.750 130 I HA 0.920 5.092 4.170 0.003 0.000 0.308 130 I C -0.137 175.943 176.117 -0.061 0.000 1.016 130 I CA -0.797 60.497 61.300 -0.011 0.000 1.098 130 I CB 2.306 40.319 38.000 0.022 0.000 1.279 130 I HN 0.739 nan 8.210 nan 0.000 0.454 131 T N 1.076 115.635 114.554 0.009 0.000 2.906 131 T HA 0.873 5.225 4.350 0.003 0.000 0.295 131 T C -0.730 173.977 174.700 0.012 0.000 1.061 131 T CA -0.635 61.467 62.100 0.003 0.000 1.000 131 T CB 1.879 70.783 68.868 0.060 0.000 1.103 131 T HN 1.182 nan 8.240 nan 0.000 0.486 132 A N 0.551 123.312 122.820 -0.098 0.000 2.515 132 A HA 1.083 5.405 4.320 0.003 0.000 0.296 132 A C 0.076 177.374 177.584 -0.477 0.000 1.094 132 A CA -0.390 51.500 52.037 -0.245 0.000 0.718 132 A CB 1.566 20.485 19.000 -0.136 0.000 1.307 132 A HN 1.914 nan 8.150 nan 0.000 0.408 133 G N -1.243 107.040 108.800 -0.862 0.000 2.430 133 G HA2 0.522 4.483 3.960 0.003 0.000 0.300 133 G HA3 0.522 4.483 3.960 0.003 0.000 0.300 133 G C -2.242 172.358 174.900 -0.500 0.000 1.330 133 G CA -0.343 44.311 45.100 -0.743 0.000 0.813 133 G HN 1.512 nan 8.290 nan 0.000 0.487 134 Y N 0.438 120.627 120.300 -0.185 0.000 2.421 134 Y HA 0.718 5.269 4.550 0.001 0.000 0.339 134 Y C -0.420 175.521 175.900 0.068 0.000 0.996 134 Y CA -0.600 57.495 58.100 -0.007 0.000 1.046 134 Y CB 2.004 40.464 38.460 0.000 0.000 1.226 134 Y HN 0.558 nan 8.280 nan 0.000 0.445 135 Q N 4.188 123.681 119.800 -0.511 0.000 2.377 135 Q HA 0.409 4.750 4.340 0.003 0.000 0.271 135 Q C -1.561 173.934 176.000 -0.842 0.000 1.077 135 Q CA -1.078 54.396 55.803 -0.548 0.000 0.820 135 Q CB 2.906 31.412 28.738 -0.386 0.000 1.347 135 Q HN 0.735 nan 8.270 nan 0.000 0.444 136 E N 0.796 120.432 120.200 -0.939 0.000 2.256 136 E HA 0.460 4.812 4.350 0.003 0.000 0.268 136 E C -1.600 174.633 176.600 -0.611 0.000 0.877 136 E CA -0.314 55.661 56.400 -0.709 0.000 0.757 136 E CB 2.033 31.356 29.700 -0.627 0.000 1.183 136 E HN 0.437 nan 8.360 nan 0.000 0.418 137 T N 3.412 117.713 114.554 -0.422 0.000 2.886 137 T HA 0.547 4.898 4.350 0.003 0.000 0.292 137 T C -0.788 173.581 174.700 -0.551 0.000 1.012 137 T CA -0.748 61.056 62.100 -0.493 0.000 0.982 137 T CB 1.172 69.828 68.868 -0.353 0.000 1.018 137 T HN 0.344 nan 8.240 nan 0.000 0.451 138 R N 1.485 121.536 120.500 -0.748 0.000 2.686 138 R HA 0.723 5.065 4.340 0.003 0.000 0.283 138 R C -1.558 174.203 176.300 -0.898 0.000 0.978 138 R CA -0.760 54.959 56.100 -0.635 0.000 0.897 138 R CB 1.729 31.831 30.300 -0.329 0.000 1.192 138 R HN 0.429 nan 8.270 nan 0.000 0.457 139 F N -0.265 119.581 119.950 -0.173 0.000 2.565 139 F HA 0.516 5.045 4.527 0.003 0.000 0.313 139 F C 0.133 175.602 175.800 -0.551 0.000 1.091 139 F CA -0.791 56.969 58.000 -0.399 0.000 0.915 139 F CB 2.529 41.240 39.000 -0.481 0.000 1.208 139 F HN 0.281 nan 8.300 nan 0.000 0.453 140 S N 2.368 117.707 115.700 -0.601 0.000 2.538 140 S HA 0.697 5.169 4.470 0.003 0.000 0.288 140 S C -1.687 172.592 174.600 -0.535 0.000 1.108 140 S CA -0.442 57.438 58.200 -0.535 0.000 0.971 140 S CB 0.917 63.665 63.200 -0.754 0.000 1.041 140 S HN 0.579 nan 8.310 nan 0.000 0.483 141 W N 1.459 122.672 121.300 -0.145 0.000 2.962 141 W HA 0.484 5.144 4.660 0.001 0.000 0.341 141 W C -0.946 175.582 176.519 0.015 0.000 1.155 141 W CA -0.765 56.573 57.345 -0.011 0.000 1.165 141 W CB 2.048 31.561 29.460 0.089 0.000 1.435 141 W HN 0.438 nan 8.180 nan 0.000 0.546 142 T N 1.460 116.243 114.554 0.381 0.000 2.965 142 T HA 0.448 4.800 4.350 0.003 0.000 0.306 142 T C -0.367 174.530 174.700 0.328 0.000 0.991 142 T CA -0.428 61.862 62.100 0.317 0.000 1.001 142 T CB 1.346 70.332 68.868 0.197 0.000 0.984 142 T HN 0.439 nan 8.240 nan 0.000 0.446 143 A N 3.280 126.298 122.820 0.329 0.000 2.362 143 A HA 0.710 5.032 4.320 0.003 0.000 0.276 143 A C 0.680 178.281 177.584 0.028 0.000 1.153 143 A CA -0.507 51.605 52.037 0.126 0.000 0.813 143 A CB 0.007 18.913 19.000 -0.156 0.000 1.081 143 A HN 0.838 nan 8.150 nan 0.000 0.507 144 T N 0.089 114.690 114.554 0.079 0.000 2.893 144 T HA 0.741 5.092 4.350 0.003 0.000 0.291 144 T C 0.692 175.480 174.700 0.147 0.000 1.028 144 T CA 0.281 62.424 62.100 0.071 0.000 0.995 144 T CB 1.305 70.214 68.868 0.069 0.000 1.051 144 T HN 2.504 nan 8.240 nan 0.000 0.470 145 G N 1.811 110.700 108.800 0.148 0.000 2.561 145 G HA2 0.244 4.206 3.960 0.003 0.000 0.289 145 G HA3 0.244 4.206 3.960 0.003 0.000 0.289 145 G C 0.866 175.997 174.900 0.386 0.000 1.169 145 G CA 0.953 46.190 45.100 0.229 0.000 0.980 145 G HN 2.790 nan 8.290 nan 0.000 0.550 146 G N -1.961 106.975 108.800 0.226 0.000 2.642 146 G HA2 0.386 4.348 3.960 0.003 0.000 0.231 146 G HA3 0.386 4.348 3.960 0.003 0.000 0.231 146 G C 0.458 175.385 174.900 0.044 0.000 1.338 146 G CA 1.635 46.777 45.100 0.069 0.000 0.883 146 G HN 2.911 nan 8.290 nan 0.000 0.570 147 S N -1.483 114.095 115.700 -0.204 0.000 2.840 147 S HA 0.928 5.400 4.470 0.003 0.000 0.307 147 S C -0.852 173.437 174.600 -0.519 0.000 1.180 147 S CA 0.144 58.077 58.200 -0.445 0.000 0.846 147 S CB 2.247 65.182 63.200 -0.441 0.000 1.233 147 S HN 2.459 nan 8.310 nan 0.000 0.548 148 Y N -1.077 118.795 120.300 -0.713 0.000 2.424 148 Y HA 0.726 5.278 4.550 0.003 0.000 0.323 148 Y C -1.254 174.257 175.900 -0.648 0.000 1.174 148 Y CA -0.905 56.730 58.100 -0.774 0.000 1.060 148 Y CB 0.861 38.629 38.460 -1.153 0.000 1.314 148 Y HN 0.891 nan 8.280 nan 0.000 0.439 149 S N 3.063 118.569 115.700 -0.323 0.000 2.519 149 S HA 0.754 5.226 4.470 0.003 0.000 0.309 149 S C -1.725 173.058 174.600 0.304 0.000 1.100 149 S CA -0.666 57.490 58.200 -0.073 0.000 1.059 149 S CB 1.492 64.704 63.200 0.020 0.000 1.008 149 S HN 0.559 nan 8.310 nan 0.000 0.478 150 Y N 1.518 121.954 120.300 0.226 0.000 2.462 150 Y HA 0.540 5.092 4.550 0.003 0.000 0.346 150 Y C 0.720 176.745 175.900 0.209 0.000 0.976 150 Y CA -1.400 56.833 58.100 0.221 0.000 1.044 150 Y CB 1.428 40.024 38.460 0.226 0.000 1.230 150 Y HN 0.946 nan 8.280 nan 0.000 0.455 151 N N 2.797 121.679 118.700 0.304 0.000 2.758 151 N HA -0.245 4.497 4.740 0.003 0.000 0.248 151 N C -0.560 175.050 175.510 0.167 0.000 1.076 151 N CA 1.130 54.305 53.050 0.210 0.000 0.696 151 N CB -1.166 37.480 38.487 0.266 0.000 0.979 151 N HN 0.824 nan 8.380 nan 0.000 0.550 152 N N -1.372 117.420 118.700 0.152 0.000 2.815 152 N HA -0.139 4.603 4.740 0.003 0.000 0.249 152 N C 0.800 176.357 175.510 0.079 0.000 1.114 152 N CA 2.150 55.250 53.050 0.084 0.000 0.717 152 N CB -1.546 36.962 38.487 0.035 0.000 1.074 152 N HN 1.314 nan 8.380 nan 0.000 0.555 153 G N -2.053 106.821 108.800 0.122 0.000 2.141 153 G HA2 -0.202 3.760 3.960 0.003 0.000 0.242 153 G HA3 -0.202 3.760 3.960 0.003 0.000 0.242 153 G C 1.013 175.936 174.900 0.038 0.000 0.982 153 G CA 1.021 46.165 45.100 0.073 0.000 0.662 153 G HN 0.979 nan 8.290 nan 0.000 0.527 154 A N -1.004 121.859 122.820 0.071 0.000 1.903 154 A HA 0.535 4.857 4.320 0.003 0.000 0.213 154 A C 0.824 178.314 177.584 -0.158 0.000 1.185 154 A CA 1.106 53.123 52.037 -0.032 0.000 0.628 154 A CB 0.042 19.043 19.000 0.002 0.000 0.830 154 A HN 0.718 nan 8.150 nan 0.000 0.446 155 Y N -0.863 119.503 120.300 0.111 0.000 2.352 155 Y HA 0.602 5.154 4.550 0.003 0.000 0.339 155 Y C 0.399 176.316 175.900 0.028 0.000 0.992 155 Y CA -0.211 57.961 58.100 0.120 0.000 1.100 155 Y CB 2.063 40.659 38.460 0.227 0.000 1.192 155 Y HN 0.014 nan 8.280 nan 0.000 0.458 156 T N 1.045 115.599 114.554 0.000 0.000 2.843 156 T HA 0.768 5.120 4.350 0.003 0.000 0.302 156 T C -0.350 173.951 174.700 -0.665 0.000 1.232 156 T CA 0.025 61.898 62.100 -0.379 0.000 1.009 156 T CB 1.860 70.591 68.868 -0.228 0.000 1.254 156 T HN 1.055 nan 8.240 nan 0.000 0.504 157 G N 1.841 110.080 108.800 -0.935 0.000 2.278 157 G HA2 0.126 4.087 3.960 0.003 0.000 0.265 157 G HA3 0.126 4.087 3.960 0.003 0.000 0.265 157 G C -2.123 172.220 174.900 -0.928 0.000 1.329 157 G CA -0.821 43.828 45.100 -0.752 0.000 1.017 157 G HN 0.776 nan 8.290 nan 0.000 0.472 158 N N -0.285 118.077 118.700 -0.564 0.000 2.238 158 N HA 0.589 5.331 4.740 0.003 0.000 0.302 158 N C -0.930 174.456 175.510 -0.208 0.000 1.072 158 N CA -0.538 52.282 53.050 -0.383 0.000 0.792 158 N CB 2.087 40.458 38.487 -0.192 0.000 1.425 158 N HN 0.313 nan 8.380 nan 0.000 0.478 159 F N 1.085 121.091 119.950 0.093 0.000 2.444 159 F HA 0.231 4.760 4.527 0.004 0.000 0.331 159 F C -1.454 174.383 175.800 0.061 0.000 1.167 159 F CA -1.297 56.772 58.000 0.115 0.000 1.262 159 F CB 0.104 39.179 39.000 0.126 0.000 1.196 159 F HN 0.196 nan 8.300 nan 0.000 0.583 160 P HA 0.029 nan 4.420 nan 0.000 0.271 160 P C -0.927 176.452 177.300 0.131 0.000 1.216 160 P CA -0.438 62.752 63.100 0.149 0.000 0.771 160 P CB 0.519 32.294 31.700 0.125 0.000 0.864 161 K N 2.236 122.689 120.400 0.088 0.000 2.447 161 K HA 0.236 4.558 4.320 0.003 0.000 0.281 161 K C 1.133 177.773 176.600 0.066 0.000 1.031 161 K CA 0.977 57.309 56.287 0.076 0.000 1.019 161 K CB -0.605 31.925 32.500 0.051 0.000 0.918 161 K HN 0.770 nan 8.250 nan 0.000 0.476 162 G N 2.067 110.908 108.800 0.069 0.000 2.175 162 G HA2 -0.257 3.705 3.960 0.003 0.000 0.244 162 G HA3 -0.257 3.705 3.960 0.003 0.000 0.244 162 G C -0.044 174.873 174.900 0.028 0.000 0.982 162 G CA 0.088 45.217 45.100 0.048 0.000 0.641 162 G HN 0.655 nan 8.290 nan 0.000 0.527 163 V N -1.020 118.913 119.914 0.031 0.000 2.555 163 V HA 0.597 4.719 4.120 0.003 0.000 0.286 163 V C 1.141 177.215 176.094 -0.034 0.000 1.044 163 V CA -1.082 61.215 62.300 -0.005 0.000 1.026 163 V CB 0.815 32.642 31.823 0.007 0.000 0.981 163 V HN 0.396 nan 8.190 nan 0.000 0.480 164 R N 2.726 123.176 120.500 -0.083 0.000 2.494 164 R HA 0.137 4.478 4.340 0.003 0.000 0.291 164 R C 0.527 176.836 176.300 0.014 0.000 0.953 164 R CA 0.351 56.386 56.100 -0.108 0.000 1.098 164 R CB 0.469 30.483 30.300 -0.476 0.000 0.911 164 R HN 0.769 nan 8.270 nan 0.000 0.407 165 V N 4.301 124.252 119.914 0.062 0.000 3.001 165 V HA 0.201 4.322 4.120 0.003 0.000 0.228 165 V C 0.432 176.491 176.094 -0.058 0.000 1.204 165 V CA 0.596 62.837 62.300 -0.097 0.000 1.247 165 V CB 0.363 31.946 31.823 -0.401 0.000 1.093 165 V HN 0.531 nan 8.190 nan 0.000 0.504 166 I N 0.651 121.175 120.570 -0.077 0.000 2.533 166 I HA 0.623 4.794 4.170 0.003 0.000 0.290 166 I C 0.005 176.204 176.117 0.137 0.000 1.056 166 I CA -0.196 61.019 61.300 -0.142 0.000 1.057 166 I CB 1.069 38.950 38.000 -0.198 0.000 1.240 166 I HN 0.252 nan 8.210 nan 0.000 0.423 167 G N 4.543 113.336 108.800 -0.012 0.000 2.388 167 G HA2 0.573 4.534 3.960 0.003 0.000 0.330 167 G HA3 0.573 4.534 3.960 0.003 0.000 0.330 167 G C -2.006 172.913 174.900 0.032 0.000 1.142 167 G CA -0.306 44.861 45.100 0.112 0.000 0.908 167 G HN 0.500 nan 8.290 nan 0.000 0.473 168 Y N 2.203 122.344 120.300 -0.264 0.000 2.442 168 Y HA 0.448 5.000 4.550 0.004 0.000 0.330 168 Y C -0.836 174.953 175.900 -0.184 0.000 1.100 168 Y CA -1.268 56.581 58.100 -0.419 0.000 1.034 168 Y CB 1.774 39.493 38.460 -1.235 0.000 1.285 168 Y HN 0.731 nan 8.280 nan 0.000 0.440 169 N N 4.946 123.242 118.700 -0.673 0.000 2.242 169 N HA 0.482 5.223 4.740 0.003 0.000 0.292 169 N C -1.778 173.345 175.510 -0.645 0.000 1.125 169 N CA -0.894 51.870 53.050 -0.476 0.000 0.783 169 N CB 2.927 41.255 38.487 -0.266 0.000 1.558 169 N HN 0.732 nan 8.380 nan 0.000 0.472 170 Q N 0.470 120.064 119.800 -0.344 0.000 2.413 170 Q HA 0.494 4.836 4.340 0.003 0.000 0.276 170 Q C -1.157 174.609 176.000 -0.390 0.000 1.099 170 Q CA -0.866 54.717 55.803 -0.366 0.000 0.814 170 Q CB 3.045 31.709 28.738 -0.123 0.000 1.379 170 Q HN 0.437 nan 8.270 nan 0.000 0.436 171 R N 1.702 121.862 120.500 -0.567 0.000 2.564 171 R HA 0.453 4.795 4.340 0.003 0.000 0.284 171 R C -1.872 174.052 176.300 -0.626 0.000 1.031 171 R CA -0.435 55.382 56.100 -0.471 0.000 0.904 171 R CB 1.051 31.186 30.300 -0.276 0.000 1.199 171 R HN 0.547 nan 8.270 nan 0.000 0.443 172 F N 1.672 121.479 119.950 -0.239 0.000 2.500 172 F HA 0.360 4.890 4.527 0.005 0.000 0.349 172 F C -0.039 175.626 175.800 -0.226 0.000 1.127 172 F CA -0.477 57.375 58.000 -0.247 0.000 0.998 172 F CB 2.169 40.799 39.000 -0.617 0.000 1.237 172 F HN 0.223 nan 8.300 nan 0.000 0.439 173 S N 5.100 120.804 115.700 0.008 0.000 2.501 173 S HA 0.939 5.410 4.470 0.003 0.000 0.301 173 S C -0.515 173.994 174.600 -0.150 0.000 1.096 173 S CA -0.802 57.311 58.200 -0.145 0.000 1.063 173 S CB 1.754 64.964 63.200 0.017 0.000 1.042 173 S HN 0.624 nan 8.310 nan 0.000 0.494 174 M N -0.026 119.294 119.600 -0.466 0.000 2.389 174 M HA 0.491 4.973 4.480 0.003 0.000 0.291 174 M C -3.484 172.678 176.300 -0.229 0.000 1.128 174 M CA -1.690 53.480 55.300 -0.217 0.000 0.942 174 M CB 1.645 34.145 32.600 -0.167 0.000 1.783 174 M HN 0.202 nan 8.290 nan 0.000 0.501 175 P HA 0.488 nan 4.420 nan 0.000 0.284 175 P C -1.895 175.577 177.300 0.287 0.000 1.253 175 P CA -0.082 63.126 63.100 0.178 0.000 0.800 175 P CB 0.393 32.165 31.700 0.120 0.000 0.961 176 Y N 2.282 122.671 120.300 0.149 0.000 2.615 176 Y HA 0.813 5.364 4.550 0.002 0.000 0.341 176 Y C -1.141 174.889 175.900 0.217 0.000 1.089 176 Y CA -1.611 56.608 58.100 0.198 0.000 1.049 176 Y CB 1.331 39.808 38.460 0.027 0.000 1.296 176 Y HN 0.342 nan 8.280 nan 0.000 0.470 177 I N 0.048 120.907 120.570 0.481 0.000 3.074 177 I HA 1.061 5.233 4.170 0.003 0.000 0.310 177 I C -0.521 175.828 176.117 0.387 0.000 1.153 177 I CA -0.716 60.786 61.300 0.337 0.000 0.993 177 I CB 1.745 39.931 38.000 0.310 0.000 1.237 177 I HN 1.164 nan 8.210 nan 0.000 0.443 178 G N 3.349 112.315 108.800 0.275 0.000 2.451 178 G HA2 0.497 4.459 3.960 0.003 0.000 0.292 178 G HA3 0.497 4.459 3.960 0.003 0.000 0.292 178 G C -2.298 172.727 174.900 0.207 0.000 1.427 178 G CA -0.730 44.512 45.100 0.238 0.000 0.792 178 G HN 0.494 nan 8.290 nan 0.000 0.498 179 L N 0.708 122.084 121.223 0.255 0.000 2.333 179 L HA 0.815 5.157 4.340 0.003 0.000 0.280 179 L C 0.513 177.503 176.870 0.200 0.000 1.004 179 L CA -0.834 54.133 54.840 0.212 0.000 0.820 179 L CB 0.849 43.048 42.059 0.234 0.000 1.247 179 L HN 0.981 nan 8.230 nan 0.000 0.416 180 A N 2.032 124.936 122.820 0.141 0.000 2.337 180 A HA 0.980 5.302 4.320 0.003 0.000 0.331 180 A C -0.014 177.775 177.584 0.342 0.000 1.137 180 A CA -0.211 51.920 52.037 0.156 0.000 0.807 180 A CB 1.841 20.791 19.000 -0.082 0.000 1.250 180 A HN 0.799 nan 8.150 nan 0.000 0.468 181 G N -0.338 108.712 108.800 0.417 0.000 2.742 181 G HA2 0.552 4.514 3.960 0.003 0.000 0.296 181 G HA3 0.552 4.514 3.960 0.003 0.000 0.296 181 G C -1.514 173.594 174.900 0.347 0.000 1.436 181 G CA -0.317 45.035 45.100 0.420 0.000 0.928 181 G HN 0.904 nan 8.290 nan 0.000 0.520 182 Q N 0.284 120.209 119.800 0.208 0.000 2.315 182 Q HA 0.610 4.951 4.340 0.003 0.000 0.273 182 Q C -2.287 173.713 176.000 0.000 0.000 1.053 182 Q CA -0.994 54.849 55.803 0.066 0.000 0.817 182 Q CB 2.795 31.478 28.738 -0.092 0.000 1.326 182 Q HN 0.667 nan 8.270 nan 0.000 0.423 183 Y N 3.000 123.184 120.300 -0.193 0.000 2.391 183 Y HA 0.643 5.195 4.550 0.003 0.000 0.341 183 Y C -1.604 174.088 175.900 -0.346 0.000 0.965 183 Y CA -0.662 57.222 58.100 -0.359 0.000 1.067 183 Y CB 1.721 39.957 38.460 -0.373 0.000 1.199 183 Y HN 0.704 nan 8.280 nan 0.000 0.450 184 R N 7.741 127.633 120.500 -1.013 0.000 2.510 184 R HA 0.620 4.962 4.340 0.003 0.000 0.287 184 R C -2.389 173.505 176.300 -0.677 0.000 1.084 184 R CA -0.621 55.059 56.100 -0.699 0.000 0.934 184 R CB 1.349 31.401 30.300 -0.414 0.000 1.201 184 R HN 0.912 nan 8.270 nan 0.000 0.431 185 I N 4.175 124.515 120.570 -0.384 0.000 2.656 185 I HA 0.363 4.534 4.170 0.003 0.000 0.292 185 I C -0.377 175.754 176.117 0.024 0.000 1.144 185 I CA -0.277 60.912 61.300 -0.185 0.000 1.038 185 I CB 1.812 39.736 38.000 -0.127 0.000 1.244 185 I HN 1.052 nan 8.210 nan 0.000 0.420 186 N N 3.552 122.257 118.700 0.008 0.000 1.192 186 N HA -0.255 4.486 4.740 0.003 0.000 0.127 186 N C -1.198 174.356 175.510 0.073 0.000 0.811 186 N CA 1.406 54.489 53.050 0.056 0.000 0.897 186 N CB -0.576 37.978 38.487 0.111 0.000 1.110 186 N HN 0.622 nan 8.380 nan 0.000 0.573 187 D N 0.789 121.287 120.400 0.164 0.000 2.280 187 D HA 0.641 5.282 4.640 0.003 0.000 0.236 187 D C -0.968 175.557 176.300 0.375 0.000 1.082 187 D CA 0.249 54.393 54.000 0.240 0.000 0.834 187 D CB 0.917 41.880 40.800 0.272 0.000 1.100 187 D HN 0.484 nan 8.370 nan 0.000 0.486 188 F N 1.628 121.626 119.950 0.081 0.000 2.447 188 F HA 0.037 4.566 4.527 0.003 0.000 0.321 188 F C -2.090 173.633 175.800 -0.128 0.000 1.093 188 F CA -0.639 57.219 58.000 -0.236 0.000 0.832 188 F CB 0.134 38.837 39.000 -0.493 0.000 3.102 188 F HN 0.333 nan 8.300 nan 0.000 0.374 189 E N 6.053 125.454 120.200 -1.331 0.000 2.372 189 E HA 0.719 5.071 4.350 0.003 0.000 0.279 189 E C -2.281 173.786 176.600 -0.888 0.000 0.946 189 E CA -0.952 54.927 56.400 -0.870 0.000 0.769 189 E CB 2.289 31.827 29.700 -0.270 0.000 1.230 189 E HN 0.878 nan 8.360 nan 0.000 0.442 190 L N 3.814 124.753 121.223 -0.473 0.000 2.541 190 L HA 0.484 4.826 4.340 0.003 0.000 0.266 190 L C -1.496 175.357 176.870 -0.029 0.000 0.966 190 L CA -0.522 54.194 54.840 -0.207 0.000 0.871 190 L CB 1.430 43.453 42.059 -0.061 0.000 1.232 190 L HN 0.547 nan 8.230 nan 0.000 0.408 191 N N 3.758 122.462 118.700 0.006 0.000 2.417 191 N HA 0.819 5.561 4.740 0.003 0.000 0.300 191 N C -0.932 174.650 175.510 0.120 0.000 1.102 191 N CA -0.557 52.542 53.050 0.081 0.000 0.886 191 N CB 2.566 41.093 38.487 0.066 0.000 1.203 191 N HN 0.516 nan 8.380 nan 0.000 0.496 192 A N 1.485 124.403 122.820 0.163 0.000 2.488 192 A HA 0.684 5.006 4.320 0.003 0.000 0.298 192 A C -1.492 176.207 177.584 0.192 0.000 1.044 192 A CA -0.497 51.644 52.037 0.174 0.000 0.693 192 A CB 1.229 20.333 19.000 0.174 0.000 1.272 192 A HN 0.519 nan 8.150 nan 0.000 0.402 193 L N 1.406 122.740 121.223 0.186 0.000 2.401 193 L HA 0.767 5.108 4.340 0.003 0.000 0.266 193 L C -1.292 175.725 176.870 0.244 0.000 0.991 193 L CA -0.302 54.651 54.840 0.189 0.000 0.818 193 L CB 2.092 44.227 42.059 0.127 0.000 1.321 193 L HN 0.717 nan 8.230 nan 0.000 0.413 194 F N 3.140 123.154 119.950 0.106 0.000 2.477 194 F HA 0.665 5.195 4.527 0.004 0.000 0.335 194 F C -0.816 175.065 175.800 0.136 0.000 1.130 194 F CA -0.612 57.449 58.000 0.102 0.000 0.948 194 F CB 1.050 40.105 39.000 0.092 0.000 1.154 194 F HN 0.327 nan 8.300 nan 0.000 0.439 195 K N 6.251 126.260 120.400 -0.652 0.000 2.203 195 K HA 0.621 4.943 4.320 0.003 0.000 0.251 195 K C -1.705 174.570 176.600 -0.542 0.000 0.944 195 K CA -0.720 55.303 56.287 -0.439 0.000 0.829 195 K CB 2.335 34.657 32.500 -0.296 0.000 1.125 195 K HN 0.600 nan 8.250 nan 0.000 0.430 196 F N 0.309 120.105 119.950 -0.257 0.000 2.599 196 F HA 0.614 5.143 4.527 0.004 0.000 0.311 196 F C -1.211 174.613 175.800 0.041 0.000 1.076 196 F CA -0.346 57.570 58.000 -0.139 0.000 0.937 196 F CB 2.268 41.237 39.000 -0.051 0.000 1.282 196 F HN 0.458 nan 8.300 nan 0.000 0.460 197 S N 3.532 118.521 115.700 -1.185 0.000 2.584 197 S HA 0.202 4.673 4.470 0.003 0.000 0.280 197 S C -1.135 172.549 174.600 -1.527 0.000 1.162 197 S CA -0.567 57.035 58.200 -0.996 0.000 0.951 197 S CB 1.239 64.295 63.200 -0.240 0.000 1.108 197 S HN 0.809 nan 8.310 nan 0.000 0.464 198 D N 3.187 122.370 120.400 -2.029 0.000 2.340 198 D HA 0.299 4.941 4.640 0.003 0.000 0.217 198 D C -0.028 175.631 176.300 -1.070 0.000 1.081 198 D CA 0.157 53.293 54.000 -1.440 0.000 0.842 198 D CB 0.288 40.393 40.800 -1.159 0.000 0.934 198 D HN 0.648 nan 8.370 nan 0.000 0.511 199 W N 1.167 122.402 121.300 -0.110 0.000 1.894 199 W HA 0.345 5.006 4.660 0.001 0.000 0.342 199 W C -0.494 176.009 176.519 -0.027 0.000 0.861 199 W CA -0.614 56.710 57.345 -0.036 0.000 2.584 199 W CB -0.563 28.895 29.460 -0.003 0.000 1.373 199 W HN -0.300 nan 8.180 nan 0.000 0.599 200 V N 2.734 122.677 119.914 0.048 0.000 2.740 200 V HA 0.143 4.265 4.120 0.003 0.000 0.303 200 V C 0.775 176.939 176.094 0.117 0.000 1.054 200 V CA 0.228 62.582 62.300 0.091 0.000 1.106 200 V CB 0.582 32.471 31.823 0.109 0.000 0.957 200 V HN 0.061 nan 8.190 nan 0.000 0.486 201 R N 3.132 123.707 120.500 0.125 0.000 2.393 201 R HA 0.725 5.066 4.340 0.003 0.000 0.315 201 R C -0.527 175.805 176.300 0.053 0.000 0.952 201 R CA -0.360 55.785 56.100 0.074 0.000 0.842 201 R CB 1.948 32.322 30.300 0.123 0.000 1.163 201 R HN 0.808 nan 8.270 nan 0.000 0.450 202 A N 2.919 125.696 122.820 -0.071 0.000 2.355 202 A HA 0.688 5.009 4.320 0.003 0.000 0.324 202 A C -1.182 176.163 177.584 -0.398 0.000 1.117 202 A CA -0.656 51.286 52.037 -0.158 0.000 0.785 202 A CB 0.969 19.965 19.000 -0.006 0.000 1.254 202 A HN 0.786 nan 8.150 nan 0.000 0.453 203 H N 0.204 119.104 119.070 -0.282 0.000 2.851 203 H HA 0.623 5.177 4.556 -0.004 0.000 0.372 203 H C -1.256 173.906 175.328 -0.277 0.000 1.158 203 H CA -0.444 55.482 56.048 -0.203 0.000 1.159 203 H CB 1.960 31.621 29.762 -0.168 0.000 1.757 203 H HN 0.820 nan 8.280 nan 0.000 0.546 204 D N 0.857 121.215 120.400 -0.070 0.000 2.596 204 D HA 0.295 4.937 4.640 0.003 0.000 0.234 204 D C -0.943 175.292 176.300 -0.107 0.000 1.181 204 D CA -0.879 53.007 54.000 -0.191 0.000 0.856 204 D CB 1.474 42.168 40.800 -0.176 0.000 1.498 204 D HN 0.399 nan 8.370 nan 0.000 0.446 205 N N 0.676 119.247 118.700 -0.216 0.000 2.249 205 N HA 0.340 5.081 4.740 0.003 0.000 0.296 205 N C -1.909 173.608 175.510 0.011 0.000 1.051 205 N CA -0.447 52.564 53.050 -0.064 0.000 0.815 205 N CB 2.277 40.715 38.487 -0.083 0.000 1.487 205 N HN 0.542 nan 8.380 nan 0.000 0.475 206 D N 1.633 122.148 120.400 0.191 0.000 2.757 206 D HA 0.287 4.928 4.640 0.003 0.000 0.249 206 D C -1.284 175.160 176.300 0.239 0.000 1.168 206 D CA -0.180 54.022 54.000 0.335 0.000 0.870 206 D CB 1.573 42.695 40.800 0.536 0.000 1.411 206 D HN 0.311 nan 8.370 nan 0.000 0.525 207 E N 1.790 122.015 120.200 0.042 0.000 2.182 207 E HA 0.265 4.617 4.350 0.003 0.000 0.258 207 E C -1.083 175.304 176.600 -0.355 0.000 0.879 207 E CA -0.599 55.660 56.400 -0.235 0.000 0.754 207 E CB 1.138 30.560 29.700 -0.463 0.000 1.162 207 E HN 0.280 nan 8.360 nan 0.000 0.419 208 H N 2.607 121.526 119.070 -0.251 0.000 2.741 208 H HA 0.148 4.706 4.556 0.003 0.000 0.282 208 H C 0.033 175.256 175.328 -0.175 0.000 1.122 208 H CA -0.161 55.798 56.048 -0.149 0.000 1.293 208 H CB 0.136 29.951 29.762 0.089 0.000 1.415 208 H HN 0.708 nan 8.280 nan 0.000 0.472 209 Y N 1.403 121.723 120.300 0.033 0.000 2.352 209 Y HA -0.184 4.368 4.550 0.003 0.000 0.292 209 Y C 1.967 177.866 175.900 -0.002 0.000 1.136 209 Y CA 0.749 58.850 58.100 0.002 0.000 1.227 209 Y CB 0.017 38.459 38.460 -0.030 0.000 0.991 209 Y HN 0.529 nan 8.280 nan 0.000 0.545 210 M N -0.350 119.318 119.600 0.114 0.000 2.394 210 M HA -0.025 4.456 4.480 0.003 0.000 0.266 210 M C 1.284 177.622 176.300 0.063 0.000 1.098 210 M CA 1.085 56.423 55.300 0.063 0.000 1.149 210 M CB 0.255 32.855 32.600 0.001 0.000 1.369 210 M HN 0.115 nan 8.290 nan 0.000 0.450 211 R N -0.662 119.888 120.500 0.084 0.000 2.552 211 R HA 0.175 4.516 4.340 0.003 0.000 0.314 211 R C -0.981 175.337 176.300 0.029 0.000 1.041 211 R CA -0.088 56.048 56.100 0.059 0.000 1.076 211 R CB -0.607 29.735 30.300 0.070 0.000 1.290 211 R HN 0.116 nan 8.270 nan 0.000 0.563 212 D N 1.736 122.153 120.400 0.030 0.000 2.803 212 D HA -0.167 4.474 4.640 0.003 0.000 0.233 212 D C -0.783 175.468 176.300 -0.080 0.000 1.182 212 D CA 1.024 55.020 54.000 -0.007 0.000 0.726 212 D CB -0.815 39.984 40.800 -0.002 0.000 0.987 212 D HN 0.402 nan 8.370 nan 0.000 0.412 213 L N 0.387 121.523 121.223 -0.145 0.000 2.439 213 L HA 0.330 4.672 4.340 0.003 0.000 0.270 213 L C 0.383 176.899 176.870 -0.590 0.000 0.972 213 L CA -0.692 53.915 54.840 -0.389 0.000 0.836 213 L CB 2.215 44.005 42.059 -0.449 0.000 1.255 213 L HN -0.155 nan 8.230 nan 0.000 0.404 214 T N 1.316 115.519 114.554 -0.586 0.000 2.907 214 T HA 0.713 5.065 4.350 0.003 0.000 0.284 214 T C -0.657 173.597 174.700 -0.744 0.000 1.004 214 T CA -0.327 61.485 62.100 -0.481 0.000 1.063 214 T CB 1.095 69.830 68.868 -0.223 0.000 0.992 214 T HN 0.131 nan 8.240 nan 0.000 0.483 215 F N 0.657 120.598 119.950 -0.017 0.000 2.556 215 F HA 0.596 5.123 4.527 0.001 0.000 0.314 215 F C 0.504 176.309 175.800 0.008 0.000 1.106 215 F CA -1.141 56.856 58.000 -0.006 0.000 0.911 215 F CB 1.943 40.942 39.000 -0.002 0.000 1.190 215 F HN 0.191 nan 8.300 nan 0.000 0.448 216 R N 1.454 122.064 120.500 0.182 0.000 2.599 216 R HA 0.667 5.009 4.340 0.003 0.000 0.295 216 R C -1.362 175.004 176.300 0.111 0.000 0.963 216 R CA -1.052 55.117 56.100 0.114 0.000 0.883 216 R CB 2.490 32.831 30.300 0.069 0.000 1.171 216 R HN 0.639 nan 8.270 nan 0.000 0.450 217 E N 1.432 121.681 120.200 0.083 0.000 2.292 217 E HA 0.349 4.700 4.350 0.003 0.000 0.272 217 E C -1.416 175.179 176.600 -0.008 0.000 0.881 217 E CA -0.658 55.774 56.400 0.054 0.000 0.754 217 E CB 2.588 32.331 29.700 0.072 0.000 1.201 217 E HN 0.151 nan 8.360 nan 0.000 0.425 218 K N 1.191 121.562 120.400 -0.049 0.000 2.324 218 K HA 0.728 5.050 4.320 0.003 0.000 0.253 218 K C -1.097 175.416 176.600 -0.145 0.000 0.932 218 K CA -0.593 55.579 56.287 -0.192 0.000 0.799 218 K CB 2.037 34.456 32.500 -0.135 0.000 1.154 218 K HN 0.393 nan 8.250 nan 0.000 0.425 219 T N 0.501 114.930 114.554 -0.209 0.000 2.909 219 T HA 0.430 4.782 4.350 0.003 0.000 0.299 219 T C -1.469 173.189 174.700 -0.069 0.000 1.073 219 T CA -0.526 61.526 62.100 -0.081 0.000 0.999 219 T CB 1.782 70.642 68.868 -0.013 0.000 1.098 219 T HN 0.432 nan 8.240 nan 0.000 0.477 220 S N 0.178 115.872 115.700 -0.009 0.000 2.588 220 S HA 0.651 5.123 4.470 0.003 0.000 0.275 220 S C 0.780 175.404 174.600 0.041 0.000 1.130 220 S CA 0.536 58.749 58.200 0.022 0.000 0.855 220 S CB 1.242 64.459 63.200 0.027 0.000 1.116 220 S HN 1.475 nan 8.310 nan 0.000 0.472 221 G N 1.715 110.554 108.800 0.065 0.000 2.155 221 G HA2 -0.246 3.716 3.960 0.003 0.000 0.257 221 G HA3 -0.246 3.716 3.960 0.003 0.000 0.257 221 G C 0.100 174.984 174.900 -0.027 0.000 0.983 221 G CA 0.423 45.554 45.100 0.052 0.000 0.676 221 G HN 1.200 nan 8.290 nan 0.000 0.528 222 S N -0.748 114.939 115.700 -0.021 0.000 2.603 222 S HA 0.670 5.142 4.470 0.003 0.000 0.268 222 S C 0.337 174.823 174.600 -0.189 0.000 1.317 222 S CA -0.506 57.658 58.200 -0.060 0.000 1.012 222 S CB 2.012 65.229 63.200 0.028 0.000 0.926 222 S HN 0.635 nan 8.310 nan 0.000 0.539 223 R N 0.521 120.870 120.500 -0.252 0.000 2.349 223 R HA 0.477 4.818 4.340 0.003 0.000 0.299 223 R C -1.434 174.532 176.300 -0.556 0.000 1.027 223 R CA -0.618 55.184 56.100 -0.496 0.000 0.958 223 R CB 0.199 30.232 30.300 -0.445 0.000 1.047 223 R HN 0.769 nan 8.270 nan 0.000 0.468 224 Y N 3.695 123.412 120.300 -0.971 0.000 2.442 224 Y HA 0.517 5.069 4.550 0.004 0.000 0.344 224 Y C -1.862 173.393 175.900 -1.075 0.000 0.976 224 Y CA -0.841 56.675 58.100 -0.973 0.000 1.040 224 Y CB 1.381 39.332 38.460 -0.847 0.000 1.228 224 Y HN 0.661 nan 8.280 nan 0.000 0.451 225 Y N 3.670 123.186 120.300 -1.307 0.000 2.477 225 Y HA 0.798 5.351 4.550 0.005 0.000 0.347 225 Y C 0.264 175.296 175.900 -1.447 0.000 0.981 225 Y CA -1.151 56.301 58.100 -1.080 0.000 1.033 225 Y CB 2.645 40.908 38.460 -0.329 0.000 1.245 225 Y HN 0.878 nan 8.280 nan 0.000 0.455 226 G N 0.108 108.400 108.800 -0.846 0.000 2.684 226 G HA2 0.571 4.533 3.960 0.003 0.000 0.290 226 G HA3 0.571 4.533 3.960 0.003 0.000 0.290 226 G C -1.692 173.153 174.900 -0.091 0.000 1.425 226 G CA -0.777 44.035 45.100 -0.481 0.000 0.822 226 G HN 0.513 nan 8.290 nan 0.000 0.482 227 T N -1.455 113.132 114.554 0.056 0.000 2.864 227 T HA 0.653 5.004 4.350 0.003 0.000 0.299 227 T C -1.611 173.143 174.700 0.090 0.000 1.166 227 T CA -0.339 61.858 62.100 0.162 0.000 1.007 227 T CB 1.923 70.972 68.868 0.300 0.000 1.219 227 T HN 0.816 nan 8.240 nan 0.000 0.506 228 V N 3.836 123.828 119.914 0.129 0.000 2.567 228 V HA 0.570 4.692 4.120 0.003 0.000 0.298 228 V C -0.954 175.237 176.094 0.162 0.000 1.047 228 V CA -0.655 61.705 62.300 0.100 0.000 0.880 228 V CB 1.347 33.214 31.823 0.073 0.000 1.009 228 V HN 0.761 nan 8.190 nan 0.000 0.429 229 I N 5.804 126.500 120.570 0.210 0.000 2.466 229 I HA 0.573 4.745 4.170 0.003 0.000 0.289 229 I C -0.377 175.863 176.117 0.206 0.000 1.026 229 I CA -0.300 61.138 61.300 0.230 0.000 1.078 229 I CB 1.991 40.176 38.000 0.308 0.000 1.249 229 I HN 0.815 nan 8.210 nan 0.000 0.429 230 N N 4.978 123.760 118.700 0.135 0.000 2.329 230 N HA 0.856 5.598 4.740 0.003 0.000 0.282 230 N C -1.742 173.818 175.510 0.085 0.000 1.198 230 N CA -0.765 52.360 53.050 0.125 0.000 0.790 230 N CB 2.894 41.405 38.487 0.041 0.000 1.579 230 N HN 0.574 nan 8.380 nan 0.000 0.475 231 A N 0.411 123.317 122.820 0.143 0.000 2.393 231 A HA 0.856 5.177 4.320 0.003 0.000 0.306 231 A C -0.466 177.215 177.584 0.161 0.000 1.050 231 A CA -0.431 51.674 52.037 0.113 0.000 0.724 231 A CB 1.628 20.806 19.000 0.297 0.000 1.248 231 A HN 0.926 nan 8.150 nan 0.000 0.424 232 G N -0.201 108.588 108.800 -0.018 0.000 2.694 232 G HA2 0.620 4.582 3.960 0.003 0.000 0.290 232 G HA3 0.620 4.582 3.960 0.003 0.000 0.290 232 G C -1.959 172.911 174.900 -0.050 0.000 1.386 232 G CA -0.452 44.689 45.100 0.068 0.000 0.872 232 G HN 0.525 nan 8.290 nan 0.000 0.475 233 Y N -0.629 119.744 120.300 0.123 0.000 2.391 233 Y HA 0.405 4.957 4.550 0.003 0.000 0.341 233 Y C -0.792 175.114 175.900 0.011 0.000 0.965 233 Y CA -0.527 57.670 58.100 0.161 0.000 1.067 233 Y CB 2.297 40.868 38.460 0.185 0.000 1.199 233 Y HN 0.480 nan 8.280 nan 0.000 0.450 234 Y N 3.370 123.820 120.300 0.250 0.000 2.640 234 Y HA 0.109 4.661 4.550 0.003 0.000 0.355 234 Y C 1.354 177.357 175.900 0.172 0.000 1.088 234 Y CA -0.371 57.832 58.100 0.171 0.000 1.443 234 Y CB 0.367 38.891 38.460 0.106 0.000 1.224 234 Y HN 0.592 nan 8.280 nan 0.000 0.516 235 V N -0.113 119.937 119.914 0.228 0.000 2.667 235 V HA -0.029 4.093 4.120 0.003 0.000 0.252 235 V C 0.840 177.031 176.094 0.163 0.000 1.065 235 V CA 1.410 63.809 62.300 0.165 0.000 1.083 235 V CB -0.619 31.268 31.823 0.107 0.000 0.692 235 V HN 0.684 nan 8.190 nan 0.000 0.468 236 T N -4.733 109.944 114.554 0.206 0.000 2.838 236 T HA 0.590 4.941 4.350 0.003 0.000 0.292 236 T C -2.566 172.279 174.700 0.242 0.000 1.113 236 T CA -1.317 60.896 62.100 0.188 0.000 1.008 236 T CB 1.581 70.548 68.868 0.166 0.000 1.259 236 T HN 0.001 nan 8.240 nan 0.000 0.520 237 P HA 0.111 nan 4.420 nan 0.000 0.225 237 P C 0.750 178.130 177.300 0.134 0.000 1.148 237 P CA 0.706 63.863 63.100 0.094 0.000 0.779 237 P CB 0.063 31.787 31.700 0.040 0.000 0.780 238 N N -1.479 117.340 118.700 0.200 0.000 2.184 238 N HA 0.204 4.946 4.740 0.003 0.000 0.206 238 N C 0.163 175.832 175.510 0.265 0.000 1.151 238 N CA 0.082 53.213 53.050 0.134 0.000 0.878 238 N CB 1.070 39.578 38.487 0.036 0.000 1.014 238 N HN 0.003 nan 8.380 nan 0.000 0.512 239 A N 0.915 123.944 122.820 0.349 0.000 2.343 239 A HA 0.507 4.829 4.320 0.003 0.000 0.308 239 A C -0.573 177.069 177.584 0.097 0.000 1.092 239 A CA -0.589 51.613 52.037 0.274 0.000 0.751 239 A CB 1.832 20.973 19.000 0.235 0.000 1.203 239 A HN -0.010 nan 8.150 nan 0.000 0.452 240 K N 2.878 123.243 120.400 -0.057 0.000 2.413 240 K HA 0.568 4.890 4.320 0.003 0.000 0.257 240 K C -1.462 175.151 176.600 0.021 0.000 0.946 240 K CA -0.423 55.708 56.287 -0.260 0.000 0.823 240 K CB 1.670 33.744 32.500 -0.710 0.000 1.109 240 K HN 0.453 nan 8.250 nan 0.000 0.427 241 V N 6.542 126.478 119.914 0.036 0.000 2.461 241 V HA 0.379 4.501 4.120 0.003 0.000 0.275 241 V C -0.399 175.765 176.094 0.117 0.000 1.047 241 V CA -0.266 62.048 62.300 0.022 0.000 0.955 241 V CB -0.019 31.821 31.823 0.028 0.000 0.988 241 V HN 0.663 nan 8.190 nan 0.000 0.471 242 F N 3.264 123.236 119.950 0.037 0.000 2.629 242 F HA 0.983 5.512 4.527 0.003 0.000 0.316 242 F C -0.244 175.604 175.800 0.080 0.000 1.081 242 F CA -1.226 56.806 58.000 0.054 0.000 0.954 242 F CB 1.708 40.713 39.000 0.008 0.000 1.337 242 F HN 0.523 nan 8.300 nan 0.000 0.474 243 A N 1.138 124.174 122.820 0.359 0.000 2.374 243 A HA 0.734 5.056 4.320 0.003 0.000 0.317 243 A C -1.351 176.482 177.584 0.416 0.000 1.094 243 A CA -0.615 51.594 52.037 0.287 0.000 0.765 243 A CB 1.635 20.750 19.000 0.192 0.000 1.268 243 A HN 0.962 nan 8.150 nan 0.000 0.438 244 E N 1.038 121.459 120.200 0.369 0.000 2.290 244 E HA 0.541 4.893 4.350 0.003 0.000 0.274 244 E C -2.077 174.710 176.600 0.312 0.000 0.889 244 E CA -0.455 56.144 56.400 0.332 0.000 0.760 244 E CB 1.390 31.293 29.700 0.337 0.000 1.206 244 E HN 0.563 nan 8.360 nan 0.000 0.419 245 F N 2.802 122.845 119.950 0.155 0.000 2.480 245 F HA 0.614 5.143 4.527 0.004 0.000 0.329 245 F C -0.962 174.936 175.800 0.163 0.000 1.091 245 F CA -0.161 57.931 58.000 0.154 0.000 0.972 245 F CB 2.254 41.344 39.000 0.149 0.000 1.150 245 F HN 0.332 nan 8.300 nan 0.000 0.467 246 T N 5.620 119.631 114.554 -0.906 0.000 2.886 246 T HA 0.385 4.737 4.350 0.003 0.000 0.292 246 T C -2.218 171.957 174.700 -0.874 0.000 1.012 246 T CA -0.364 61.360 62.100 -0.625 0.000 0.982 246 T CB 0.927 69.662 68.868 -0.221 0.000 1.018 246 T HN 0.529 nan 8.240 nan 0.000 0.451 247 Y N 1.497 121.435 120.300 -0.603 0.000 2.477 247 Y HA 0.681 5.234 4.550 0.004 0.000 0.347 247 Y C -0.961 174.789 175.900 -0.251 0.000 0.981 247 Y CA -0.748 57.101 58.100 -0.418 0.000 1.033 247 Y CB 1.982 40.341 38.460 -0.168 0.000 1.245 247 Y HN 0.572 nan 8.280 nan 0.000 0.455 248 S N 4.764 119.870 115.700 -0.989 0.000 2.668 248 S HA 0.392 4.863 4.470 0.003 0.000 0.277 248 S C -1.726 172.331 174.600 -0.905 0.000 1.170 248 S CA -0.876 56.888 58.200 -0.727 0.000 0.994 248 S CB 1.249 64.394 63.200 -0.092 0.000 1.051 248 S HN 0.541 nan 8.310 nan 0.000 0.484 249 K N 2.677 122.544 120.400 -0.889 0.000 2.358 249 K HA 0.531 4.852 4.320 0.003 0.000 0.260 249 K C -1.986 174.315 176.600 -0.499 0.000 0.956 249 K CA -0.350 55.629 56.287 -0.513 0.000 0.834 249 K CB 0.533 32.885 32.500 -0.245 0.000 1.102 249 K HN 0.545 nan 8.250 nan 0.000 0.431 250 Y N 2.690 122.833 120.300 -0.262 0.000 2.342 250 Y HA 0.260 4.812 4.550 0.002 0.000 0.338 250 Y C 0.066 175.866 175.900 -0.166 0.000 0.965 250 Y CA -0.666 57.269 58.100 -0.274 0.000 1.159 250 Y CB 1.214 39.282 38.460 -0.655 0.000 1.157 250 Y HN 0.550 nan 8.280 nan 0.000 0.486 251 D N 2.584 122.965 120.400 -0.032 0.000 2.341 251 D HA -0.022 4.619 4.640 0.003 0.000 0.245 251 D C -0.059 176.288 176.300 0.079 0.000 1.106 251 D CA -0.252 53.751 54.000 0.005 0.000 0.905 251 D CB 1.038 41.802 40.800 -0.060 0.000 1.202 251 D HN 0.618 nan 8.370 nan 0.000 0.426 252 E N 0.533 120.790 120.200 0.096 0.000 2.498 252 E HA 0.164 4.516 4.350 0.003 0.000 0.252 252 E C -0.043 176.622 176.600 0.108 0.000 1.025 252 E CA -0.215 56.266 56.400 0.135 0.000 0.938 252 E CB 0.324 30.098 29.700 0.123 0.000 0.947 252 E HN 0.432 nan 8.360 nan 0.000 0.478 253 G N 4.406 113.291 108.800 0.141 0.000 2.425 253 G HA2 0.326 4.288 3.960 0.003 0.000 0.302 253 G HA3 0.326 4.288 3.960 0.003 0.000 0.302 253 G C -0.784 174.176 174.900 0.100 0.000 1.159 253 G CA -0.591 44.568 45.100 0.099 0.000 0.865 253 G HN 0.459 nan 8.290 nan 0.000 0.515 254 K N 0.166 120.603 120.400 0.062 0.000 2.328 254 K HA 0.787 5.109 4.320 0.003 0.000 0.246 254 K C -0.097 176.530 176.600 0.044 0.000 0.955 254 K CA -0.710 55.616 56.287 0.065 0.000 0.817 254 K CB 2.592 35.104 32.500 0.019 0.000 1.208 254 K HN 0.768 nan 8.250 nan 0.000 0.432 255 G N -0.044 108.790 108.800 0.058 0.000 2.494 255 G HA2 0.482 4.444 3.960 0.003 0.000 0.308 255 G HA3 0.482 4.444 3.960 0.003 0.000 0.308 255 G C -1.073 173.859 174.900 0.053 0.000 1.263 255 G CA -0.483 44.641 45.100 0.039 0.000 0.840 255 G HN 0.633 nan 8.290 nan 0.000 0.479 256 G N -1.140 107.685 108.800 0.042 0.000 2.535 256 G HA2 0.672 4.633 3.960 0.003 0.000 0.303 256 G HA3 0.672 4.633 3.960 0.003 0.000 0.303 256 G C -0.065 174.869 174.900 0.058 0.000 1.237 256 G CA 0.515 45.645 45.100 0.050 0.000 0.986 256 G HN 1.459 nan 8.290 nan 0.000 0.494 257 T N -2.395 112.198 114.554 0.065 0.000 2.848 257 T HA 0.582 4.934 4.350 0.003 0.000 0.285 257 T C -0.627 174.132 174.700 0.098 0.000 0.995 257 T CA -0.695 61.456 62.100 0.086 0.000 0.970 257 T CB 2.008 70.925 68.868 0.083 0.000 0.976 257 T HN 0.560 nan 8.240 nan 0.000 0.441 258 Q N 1.707 121.573 119.800 0.111 0.000 2.245 258 Q HA 0.572 4.914 4.340 0.003 0.000 0.256 258 Q C -1.153 174.920 176.000 0.122 0.000 0.942 258 Q CA -0.550 55.308 55.803 0.091 0.000 0.896 258 Q CB 1.552 30.324 28.738 0.057 0.000 1.272 258 Q HN 0.822 nan 8.270 nan 0.000 0.442 259 T N 4.207 118.801 114.554 0.068 0.000 2.861 259 T HA 0.563 4.915 4.350 0.003 0.000 0.287 259 T C -1.039 173.603 174.700 -0.097 0.000 1.003 259 T CA -0.553 61.535 62.100 -0.021 0.000 0.977 259 T CB 0.904 69.808 68.868 0.059 0.000 0.996 259 T HN 0.630 nan 8.240 nan 0.000 0.448 260 I N 2.168 122.620 120.570 -0.197 0.000 2.499 260 I HA 0.531 4.702 4.170 0.003 0.000 0.288 260 I C -1.352 174.660 176.117 -0.174 0.000 1.048 260 I CA -0.798 60.416 61.300 -0.142 0.000 1.062 260 I CB 1.738 39.679 38.000 -0.098 0.000 1.238 260 I HN 0.511 nan 8.210 nan 0.000 0.426 261 D N 6.164 126.494 120.400 -0.117 0.000 2.393 261 D HA 0.164 4.805 4.640 0.003 0.000 0.232 261 D C 0.302 176.560 176.300 -0.071 0.000 1.192 261 D CA -0.163 53.777 54.000 -0.100 0.000 0.882 261 D CB 1.099 41.861 40.800 -0.065 0.000 1.038 261 D HN 0.493 nan 8.370 nan 0.000 0.499 262 K N 2.371 122.728 120.400 -0.073 0.000 2.632 262 K HA 0.053 4.374 4.320 0.003 0.000 0.196 262 K C 0.805 177.389 176.600 -0.026 0.000 1.023 262 K CA 0.232 56.493 56.287 -0.044 0.000 1.098 262 K CB 0.004 32.482 32.500 -0.038 0.000 0.862 262 K HN 0.494 nan 8.250 nan 0.000 0.504 263 N N -0.994 117.690 118.700 -0.027 0.000 2.336 263 N HA -0.081 4.660 4.740 0.003 0.000 0.177 263 N C 1.170 176.671 175.510 -0.015 0.000 1.018 263 N CA 1.005 54.046 53.050 -0.016 0.000 0.878 263 N CB 0.410 38.889 38.487 -0.013 0.000 0.997 263 N HN 0.101 nan 8.380 nan 0.000 0.433 264 S N -1.933 113.755 115.700 -0.020 0.000 2.604 264 S HA 0.335 4.806 4.470 0.003 0.000 0.235 264 S C 1.405 175.994 174.600 -0.019 0.000 1.043 264 S CA 0.219 58.409 58.200 -0.016 0.000 0.997 264 S CB 1.051 64.242 63.200 -0.015 0.000 0.956 264 S HN 0.324 nan 8.310 nan 0.000 0.535 265 G N 1.701 110.485 108.800 -0.026 0.000 2.189 265 G HA2 -0.240 3.722 3.960 0.003 0.000 0.267 265 G HA3 -0.240 3.722 3.960 0.003 0.000 0.267 265 G C -0.342 174.541 174.900 -0.028 0.000 0.975 265 G CA 0.364 45.448 45.100 -0.027 0.000 0.644 265 G HN 0.548 nan 8.290 nan 0.000 0.537 266 D N 0.743 121.127 120.400 -0.027 0.000 2.389 266 D HA 0.502 5.144 4.640 0.003 0.000 0.247 266 D C 0.597 176.880 176.300 -0.029 0.000 1.128 266 D CA 0.750 54.736 54.000 -0.022 0.000 0.884 266 D CB 1.556 42.346 40.800 -0.017 0.000 1.194 266 D HN 0.190 nan 8.370 nan 0.000 0.441 267 S N 0.668 116.356 115.700 -0.020 0.000 2.745 267 S HA 0.710 5.181 4.470 0.003 0.000 0.292 267 S C -0.794 173.801 174.600 -0.007 0.000 1.127 267 S CA -0.543 57.646 58.200 -0.019 0.000 1.007 267 S CB 0.931 64.123 63.200 -0.013 0.000 1.165 267 S HN 0.195 nan 8.310 nan 0.000 0.544 268 V N 2.023 121.939 119.914 0.004 0.000 2.923 268 V HA 0.212 4.334 4.120 0.003 0.000 0.261 268 V C -1.082 175.033 176.094 0.034 0.000 1.271 268 V CA -0.643 61.667 62.300 0.018 0.000 0.932 268 V CB 1.266 33.101 31.823 0.020 0.000 1.083 268 V HN 0.837 nan 8.190 nan 0.000 0.481 269 S N 5.755 121.474 115.700 0.031 0.000 2.525 269 S HA 0.714 5.186 4.470 0.003 0.000 0.278 269 S C -0.345 174.278 174.600 0.039 0.000 1.234 269 S CA -0.562 57.662 58.200 0.039 0.000 1.058 269 S CB 1.550 64.769 63.200 0.032 0.000 0.983 269 S HN 0.457 nan 8.310 nan 0.000 0.495 270 I N 2.471 123.069 120.570 0.046 0.000 2.378 270 I HA 0.340 4.511 4.170 0.003 0.000 0.291 270 I C 1.313 177.454 176.117 0.040 0.000 0.992 270 I CA -0.518 60.807 61.300 0.042 0.000 1.154 270 I CB 0.861 38.890 38.000 0.048 0.000 1.315 270 I HN 0.864 nan 8.210 nan 0.000 0.448 271 G N 4.649 113.469 108.800 0.032 0.000 2.603 271 G HA2 0.084 4.046 3.960 0.003 0.000 0.214 271 G HA3 0.084 4.046 3.960 0.003 0.000 0.214 271 G C 0.698 175.615 174.900 0.028 0.000 1.140 271 G CA 0.102 45.219 45.100 0.029 0.000 0.800 271 G HN 0.692 nan 8.290 nan 0.000 0.533 272 G N 0.590 109.408 108.800 0.030 0.000 2.377 272 G HA2 0.427 4.389 3.960 0.003 0.000 0.316 272 G HA3 0.427 4.389 3.960 0.003 0.000 0.316 272 G C -0.758 174.162 174.900 0.034 0.000 1.115 272 G CA -0.453 44.662 45.100 0.025 0.000 0.952 272 G HN 0.035 nan 8.290 nan 0.000 0.441 273 D N 1.035 121.452 120.400 0.028 0.000 3.137 273 D HA -0.148 4.494 4.640 0.003 0.000 0.196 273 D C 1.192 177.543 176.300 0.085 0.000 1.270 273 D CA 1.363 55.380 54.000 0.029 0.000 0.716 273 D CB -0.422 40.359 40.800 -0.031 0.000 0.891 273 D HN 0.648 nan 8.370 nan 0.000 0.396 274 A N -0.153 122.750 122.820 0.138 0.000 2.603 274 A HA 0.641 4.963 4.320 0.003 0.000 0.277 274 A C 0.490 178.194 177.584 0.200 0.000 1.158 274 A CA 0.587 52.735 52.037 0.185 0.000 0.962 274 A CB 0.782 19.842 19.000 0.100 0.000 1.189 274 A HN 0.576 nan 8.150 nan 0.000 0.552 275 A N -0.851 122.117 122.820 0.246 0.000 2.574 275 A HA 0.753 5.074 4.320 0.003 0.000 0.297 275 A C -0.153 177.581 177.584 0.250 0.000 1.062 275 A CA -0.002 52.138 52.037 0.172 0.000 0.686 275 A CB 0.921 19.977 19.000 0.094 0.000 1.285 275 A HN 1.161 nan 8.150 nan 0.000 0.403 276 G N -0.247 108.679 108.800 0.209 0.000 2.533 276 G HA2 0.696 4.657 3.960 0.003 0.000 0.304 276 G HA3 0.696 4.657 3.960 0.003 0.000 0.304 276 G C -1.276 173.752 174.900 0.212 0.000 1.263 276 G CA -0.615 44.632 45.100 0.246 0.000 0.964 276 G HN 0.787 nan 8.290 nan 0.000 0.479 277 I N 1.537 122.256 120.570 0.249 0.000 2.599 277 I HA 0.372 4.544 4.170 0.003 0.000 0.285 277 I C -0.314 176.061 176.117 0.431 0.000 1.168 277 I CA -0.554 60.937 61.300 0.319 0.000 1.060 277 I CB 2.107 40.242 38.000 0.226 0.000 1.249 277 I HN 0.660 nan 8.210 nan 0.000 0.442 278 S N 5.097 121.079 115.700 0.470 0.000 2.618 278 S HA 0.713 5.185 4.470 0.003 0.000 0.277 278 S C -1.253 173.582 174.600 0.392 0.000 1.138 278 S CA -0.720 57.720 58.200 0.399 0.000 0.844 278 S CB 3.093 66.474 63.200 0.301 0.000 1.127 278 S HN 0.692 nan 8.310 nan 0.000 0.474 279 N N 0.117 118.928 118.700 0.185 0.000 3.020 279 N HA 0.441 5.182 4.740 0.003 0.000 0.248 279 N C -2.283 173.285 175.510 0.097 0.000 1.480 279 N CA -0.600 52.525 53.050 0.124 0.000 0.874 279 N CB 2.039 40.532 38.487 0.008 0.000 1.433 279 N HN 0.792 nan 8.380 nan 0.000 0.530 280 K N 1.161 121.595 120.400 0.058 0.000 2.587 280 K HA 0.337 4.659 4.320 0.003 0.000 0.256 280 K C -1.894 174.654 176.600 -0.087 0.000 0.974 280 K CA -0.356 55.910 56.287 -0.035 0.000 0.855 280 K CB 1.223 33.782 32.500 0.099 0.000 1.292 280 K HN 0.613 nan 8.250 nan 0.000 0.444 281 N N 2.220 120.741 118.700 -0.297 0.000 2.319 281 N HA 0.500 5.242 4.740 0.003 0.000 0.305 281 N C -1.766 173.504 175.510 -0.399 0.000 1.103 281 N CA -0.639 52.306 53.050 -0.174 0.000 0.815 281 N CB 1.392 39.888 38.487 0.016 0.000 1.288 281 N HN 0.268 nan 8.380 nan 0.000 0.493 282 Y N -0.307 120.052 120.300 0.099 0.000 2.433 282 Y HA 0.365 4.917 4.550 0.004 0.000 0.337 282 Y C -0.114 175.762 175.900 -0.040 0.000 1.026 282 Y CA -1.002 57.148 58.100 0.083 0.000 1.037 282 Y CB 2.187 40.832 38.460 0.308 0.000 1.245 282 Y HN 0.337 nan 8.280 nan 0.000 0.443 283 T N -0.018 114.519 114.554 -0.027 0.000 2.848 283 T HA 0.782 5.134 4.350 0.003 0.000 0.285 283 T C -1.362 173.384 174.700 0.076 0.000 0.995 283 T CA -0.718 61.348 62.100 -0.057 0.000 0.970 283 T CB 0.991 69.699 68.868 -0.265 0.000 0.976 283 T HN 0.370 nan 8.240 nan 0.000 0.441 284 V N 3.241 123.234 119.914 0.132 0.000 2.417 284 V HA 0.806 4.928 4.120 0.003 0.000 0.291 284 V C 0.309 176.465 176.094 0.104 0.000 1.024 284 V CA -0.570 61.843 62.300 0.187 0.000 0.861 284 V CB 1.376 33.314 31.823 0.193 0.000 0.985 284 V HN 1.147 nan 8.190 nan 0.000 0.436 285 T N 3.042 117.673 114.554 0.127 0.000 2.982 285 T HA 0.771 5.122 4.350 0.003 0.000 0.321 285 T C -0.957 173.801 174.700 0.097 0.000 1.229 285 T CA 0.101 62.260 62.100 0.098 0.000 1.044 285 T CB 1.736 70.671 68.868 0.111 0.000 1.184 285 T HN 1.136 nan 8.240 nan 0.000 0.477 286 A N 1.667 124.486 122.820 -0.001 0.000 2.469 286 A HA 1.071 5.392 4.320 0.003 0.000 0.299 286 A C 0.192 177.589 177.584 -0.312 0.000 1.098 286 A CA 0.039 51.989 52.037 -0.145 0.000 0.737 286 A CB 1.740 20.688 19.000 -0.086 0.000 1.312 286 A HN 1.421 nan 8.150 nan 0.000 0.414 287 G N -0.765 107.628 108.800 -0.678 0.000 2.393 287 G HA2 0.533 4.494 3.960 0.003 0.000 0.264 287 G HA3 0.533 4.494 3.960 0.003 0.000 0.264 287 G C -2.150 172.285 174.900 -0.776 0.000 1.221 287 G CA 0.066 44.788 45.100 -0.629 0.000 0.912 287 G HN 1.507 nan 8.290 nan 0.000 0.483 288 L N 0.540 121.520 121.223 -0.406 0.000 2.472 288 L HA 0.743 5.084 4.340 0.003 0.000 0.260 288 L C -1.331 175.677 176.870 0.230 0.000 0.963 288 L CA -0.487 54.304 54.840 -0.082 0.000 0.829 288 L CB 1.918 43.949 42.059 -0.047 0.000 1.348 288 L HN 0.908 nan 8.230 nan 0.000 0.408 289 Q N 3.106 123.087 119.800 0.302 0.000 2.342 289 Q HA 0.439 4.781 4.340 0.003 0.000 0.267 289 Q C -2.284 173.838 176.000 0.203 0.000 1.038 289 Q CA -0.598 55.364 55.803 0.265 0.000 0.832 289 Q CB 2.653 31.518 28.738 0.212 0.000 1.323 289 Q HN 0.591 nan 8.270 nan 0.000 0.448 290 Y N 2.540 122.821 120.300 -0.032 0.000 2.386 290 Y HA 0.374 4.926 4.550 0.003 0.000 0.334 290 Y C -1.435 174.330 175.900 -0.225 0.000 1.002 290 Y CA -0.925 57.088 58.100 -0.146 0.000 1.068 290 Y CB 1.448 39.747 38.460 -0.268 0.000 1.203 290 Y HN 0.678 nan 8.280 nan 0.000 0.443 291 R N 6.615 126.752 120.500 -0.605 0.000 2.215 291 R HA 0.381 4.723 4.340 0.003 0.000 0.336 291 R C -1.418 174.389 176.300 -0.821 0.000 0.996 291 R CA -0.479 55.337 56.100 -0.474 0.000 0.847 291 R CB 0.045 30.253 30.300 -0.154 0.000 1.127 291 R HN 0.563 nan 8.270 nan 0.000 0.465 292 F N 3.462 123.168 119.950 -0.408 0.000 2.593 292 F HA 0.236 4.765 4.527 0.002 0.000 0.393 292 F C 1.381 177.103 175.800 -0.130 0.000 1.037 292 F CA 1.367 59.221 58.000 -0.242 0.000 1.195 292 F CB 0.531 39.532 39.000 0.001 0.000 1.034 292 F HN 0.711 nan 8.300 nan 0.000 0.552 293 G N 0.000 108.818 108.800 0.030 0.000 5.446 293 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 293 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 293 G CA 0.000 45.131 45.100 0.052 0.000 0.502 293 G HN 0.000 nan 8.290 nan 0.000 0.925