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 1ccj_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPWGA ANNVFTNEGY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.669 176.870 -0.335 0.000 1.165 4 L CA 0.000 54.706 54.840 -0.223 0.000 0.813 4 L CB 0.000 41.896 42.059 -0.271 0.000 0.961 5 V N 2.726 122.438 119.914 -0.337 0.000 2.448 5 V HA 0.323 nan 4.120 nan 0.000 0.295 5 V C -0.902 174.929 176.094 -0.439 0.000 1.025 5 V CA -0.900 61.199 62.300 -0.334 0.000 0.859 5 V CB 1.420 33.139 31.823 -0.172 0.000 0.988 5 V HN 0.133 8.170 8.190 -0.254 0.000 0.431 6 H N 6.631 125.496 119.070 -0.341 0.000 2.638 6 H HA 0.316 nan 4.556 nan 0.000 0.303 6 H C -1.498 173.494 175.328 -0.561 0.000 1.034 6 H CA -1.373 54.256 56.048 -0.698 0.000 1.225 6 H CB 0.840 29.786 29.762 -1.360 0.000 1.394 6 H HN 0.480 8.507 8.280 -0.421 0.000 0.477 7 V N 4.091 123.904 119.914 -0.168 0.000 2.407 7 V HA 0.270 nan 4.120 nan 0.000 0.278 7 V C -0.697 175.437 176.094 0.066 0.000 1.037 7 V CA -1.631 60.618 62.300 -0.086 0.000 0.900 7 V CB 0.306 32.110 31.823 -0.032 0.000 0.983 7 V HN 0.476 8.621 8.190 -0.075 0.000 0.459 8 A N 8.203 130.981 122.820 -0.070 0.000 2.524 8 A HA -0.032 nan 4.320 nan 0.000 0.250 8 A C -1.373 176.241 177.584 0.050 0.000 1.078 8 A CA 0.684 52.708 52.037 -0.021 0.000 0.761 8 A CB 0.334 19.174 19.000 -0.268 0.000 1.012 8 A HN 0.504 8.491 8.150 -0.272 0.000 0.500 9 S N 4.370 120.114 115.700 0.074 0.000 2.669 9 S HA 0.105 nan 4.470 nan 0.000 0.315 9 S C -0.723 173.937 174.600 0.100 0.000 1.106 9 S CA -1.171 57.078 58.200 0.082 0.000 1.107 9 S CB 1.102 64.352 63.200 0.084 0.000 0.990 9 S HN -0.024 8.323 8.310 0.062 0.000 0.471 10 V N 6.166 126.154 119.914 0.124 0.000 2.584 10 V HA -0.140 nan 4.120 nan 0.000 0.303 10 V C 0.422 176.639 176.094 0.205 0.000 1.035 10 V CA 0.341 62.756 62.300 0.192 0.000 1.172 10 V CB 0.117 32.061 31.823 0.202 0.000 0.896 10 V HN 0.205 8.460 8.190 0.109 0.000 0.486 11 E N 5.720 126.095 120.200 0.292 0.000 2.608 11 E HA -0.235 nan 4.350 nan 0.000 0.259 11 E C -0.371 176.319 176.600 0.150 0.000 0.951 11 E CA 0.872 57.431 56.400 0.265 0.000 0.945 11 E CB 0.436 30.402 29.700 0.443 0.000 0.916 11 E HN 0.269 8.860 8.360 0.385 0.000 0.477 12 K N 6.120 126.575 120.400 0.092 0.000 2.436 12 K HA -0.281 nan 4.320 nan 0.000 0.282 12 K C 0.650 177.232 176.600 -0.030 0.000 1.044 12 K CA 1.271 57.581 56.287 0.038 0.000 1.028 12 K CB 0.072 32.592 32.500 0.033 0.000 0.919 12 K HN 0.509 8.825 8.250 0.110 0.000 0.474 13 G N 4.390 113.183 108.800 -0.012 0.000 2.212 13 G HA2 -0.372 nan 3.960 nan 0.000 0.266 13 G HA3 -0.372 nan 3.960 nan 0.000 0.266 13 G C 0.306 175.154 174.900 -0.086 0.000 0.978 13 G CA 0.385 45.457 45.100 -0.045 0.000 0.632 13 G HN 0.482 8.788 8.290 0.027 0.000 0.537 14 R N 0.829 121.262 120.500 -0.111 0.000 2.641 14 R HA 0.280 nan 4.340 nan 0.000 0.269 14 R C -0.698 175.638 176.300 0.060 0.000 1.074 14 R CA -0.896 55.087 56.100 -0.194 0.000 1.133 14 R CB 0.464 30.519 30.300 -0.408 0.000 1.029 14 R HN -0.355 7.799 8.270 -0.063 0.079 0.488 15 S N 2.279 117.996 115.700 0.029 0.000 2.903 15 S HA 0.306 nan 4.470 nan 0.000 0.314 15 S C 0.015 174.694 174.600 0.131 0.000 1.177 15 S CA -1.136 57.186 58.200 0.203 0.000 0.859 15 S CB 1.562 64.840 63.200 0.130 0.000 1.265 15 S HN 0.189 8.748 8.310 -0.159 -0.345 0.584 16 Y N 2.327 122.538 120.300 -0.149 0.000 2.102 16 Y HA -0.477 nan 4.550 nan 0.000 0.280 16 Y C 1.151 176.982 175.900 -0.115 0.000 1.178 16 Y CA 4.262 62.105 58.100 -0.428 0.000 1.146 16 Y CB 0.135 38.442 38.460 -0.255 0.000 0.968 16 Y HN 0.436 8.852 8.280 0.227 0.000 0.504 17 E N -3.066 117.089 120.200 -0.076 0.000 2.085 17 E HA -0.430 nan 4.350 nan 0.000 0.194 17 E C 2.519 179.003 176.600 -0.193 0.000 0.994 17 E CA 3.330 59.653 56.400 -0.128 0.000 0.801 17 E CB -0.923 28.770 29.700 -0.013 0.000 0.743 17 E HN 0.105 8.525 8.360 0.100 0.000 0.453 18 D N -0.407 119.853 120.400 -0.233 0.000 2.097 18 D HA -0.231 nan 4.640 nan 0.000 0.195 18 D C 2.436 178.559 176.300 -0.295 0.000 0.989 18 D CA 3.301 57.107 54.000 -0.322 0.000 0.827 18 D CB -0.178 40.226 40.800 -0.660 0.000 0.966 18 D HN -0.572 7.674 8.370 -0.207 0.000 0.456 19 F N -0.957 118.957 119.950 -0.061 0.000 2.259 19 F HA -0.195 nan 4.527 nan 0.000 0.298 19 F C 2.015 177.535 175.800 -0.467 0.000 1.088 19 F CA 3.029 60.965 58.000 -0.107 0.000 1.358 19 F CB -0.323 38.787 39.000 0.182 0.000 1.040 19 F HN -0.766 7.425 8.300 -0.181 0.000 0.505 20 Q N -0.212 119.402 119.800 -0.309 0.000 2.170 20 Q HA -0.361 nan 4.340 nan 0.000 0.203 20 Q C 2.083 177.906 176.000 -0.296 0.000 0.976 20 Q CA 3.264 58.811 55.803 -0.428 0.000 0.858 20 Q CB -0.625 27.835 28.738 -0.463 0.000 0.907 20 Q HN 0.375 8.474 8.270 -0.283 0.000 0.433 21 K N -0.467 119.777 120.400 -0.261 0.000 2.097 21 K HA -0.295 nan 4.320 nan 0.000 0.205 21 K C 2.439 178.785 176.600 -0.422 0.000 1.050 21 K CA 3.443 59.600 56.287 -0.217 0.000 0.938 21 K CB -0.117 32.316 32.500 -0.113 0.000 0.718 21 K HN -0.470 7.543 8.250 -0.252 0.087 0.442 22 V N -0.029 119.471 119.914 -0.690 0.000 2.453 22 V HA -0.312 nan 4.120 nan 0.000 0.247 22 V C 1.720 177.531 176.094 -0.471 0.000 1.048 22 V CA 4.199 66.005 62.300 -0.823 0.000 1.049 22 V CB -1.059 30.267 31.823 -0.827 0.000 0.672 22 V HN -0.624 7.139 8.190 -0.581 0.078 0.457 23 Y N 0.250 120.180 120.300 -0.617 0.000 2.081 23 Y HA -0.639 nan 4.550 nan 0.000 0.280 23 Y C 1.440 177.149 175.900 -0.317 0.000 1.163 23 Y CA 4.175 61.938 58.100 -0.562 0.000 1.135 23 Y CB -0.105 37.839 38.460 -0.861 0.000 0.970 23 Y HN 0.364 8.350 8.280 -0.489 0.000 0.498 24 N N -1.276 117.431 118.700 0.012 0.000 2.149 24 N HA -0.513 nan 4.740 nan 0.000 0.188 24 N C 2.075 177.556 175.510 -0.049 0.000 1.019 24 N CA 3.016 56.083 53.050 0.028 0.000 0.857 24 N CB -0.138 38.371 38.487 0.037 0.000 0.997 24 N HN -0.034 8.337 8.380 -0.015 0.000 0.426 25 A N 0.713 123.489 122.820 -0.072 0.000 1.877 25 A HA -0.246 nan 4.320 nan 0.000 0.216 25 A C 1.948 179.473 177.584 -0.099 0.000 1.186 25 A CA 3.066 55.084 52.037 -0.032 0.000 0.620 25 A CB -0.634 18.423 19.000 0.096 0.000 0.822 25 A HN -0.199 7.882 8.150 -0.114 0.000 0.443 26 I N -1.245 119.230 120.570 -0.158 0.000 2.142 26 I HA -0.608 nan 4.170 nan 0.000 0.240 26 I C 1.790 177.864 176.117 -0.073 0.000 1.078 26 I CA 4.058 65.292 61.300 -0.109 0.000 1.343 26 I CB -0.259 37.631 38.000 -0.184 0.000 1.046 26 I HN -0.414 7.671 8.210 -0.209 0.000 0.405 27 A N -0.225 122.471 122.820 -0.207 0.000 1.908 27 A HA -0.299 nan 4.320 nan 0.000 0.218 27 A C 2.244 179.814 177.584 -0.023 0.000 1.181 27 A CA 3.336 55.285 52.037 -0.147 0.000 0.627 27 A CB -0.687 18.193 19.000 -0.201 0.000 0.818 27 A HN 0.289 8.239 8.150 -0.333 0.000 0.445 28 L N -2.296 118.915 121.223 -0.021 0.000 2.093 28 L HA -0.275 nan 4.340 nan 0.000 0.208 28 L C 2.087 178.964 176.870 0.011 0.000 1.085 28 L CA 2.311 57.154 54.840 0.004 0.000 0.755 28 L CB -1.266 40.790 42.059 -0.005 0.000 0.904 28 L HN 0.149 8.351 8.230 -0.046 0.000 0.435 29 K N -0.020 120.371 120.400 -0.015 0.000 2.217 29 K HA -0.224 nan 4.320 nan 0.000 0.202 29 K C 2.590 179.308 176.600 0.196 0.000 1.051 29 K CA 3.205 59.469 56.287 -0.038 0.000 0.952 29 K CB -0.209 32.085 32.500 -0.344 0.000 0.736 29 K HN -0.505 7.719 8.250 -0.044 0.000 0.453 30 L N -1.633 119.768 121.223 0.297 0.000 2.083 30 L HA -0.370 nan 4.340 nan 0.000 0.209 30 L C 1.843 178.820 176.870 0.179 0.000 1.083 30 L CA 3.011 58.010 54.840 0.265 0.000 0.752 30 L CB -0.290 41.834 42.059 0.109 0.000 0.899 30 L HN 0.055 8.340 8.230 0.221 0.077 0.433 31 R N -2.418 118.154 120.500 0.121 0.000 2.075 31 R HA -0.263 nan 4.340 nan 0.000 0.232 31 R C 2.514 178.881 176.300 0.111 0.000 1.126 31 R CA 2.705 58.867 56.100 0.102 0.000 0.963 31 R CB 0.027 30.370 30.300 0.072 0.000 0.858 31 R HN -0.588 7.742 8.270 0.099 0.000 0.435 32 E N -1.415 118.844 120.200 0.100 0.000 2.028 32 E HA -0.186 nan 4.350 nan 0.000 0.191 32 E C 2.176 178.849 176.600 0.121 0.000 0.988 32 E CA 2.343 58.795 56.400 0.087 0.000 0.799 32 E CB 0.126 29.852 29.700 0.044 0.000 0.755 32 E HN -0.471 7.942 8.360 0.088 0.000 0.447 33 D N 0.221 120.727 120.400 0.178 0.000 2.856 33 D HA 0.126 nan 4.640 nan 0.000 0.242 33 D C 0.112 176.574 176.300 0.271 0.000 1.226 33 D CA -0.330 53.821 54.000 0.252 0.000 0.855 33 D CB -1.783 39.239 40.800 0.369 0.000 1.065 33 D HN -0.110 8.374 8.370 0.189 0.000 0.462 34 D N -1.728 118.781 120.400 0.181 0.000 2.309 34 D HA -0.347 nan 4.640 nan 0.000 0.212 34 D C 0.200 176.508 176.300 0.013 0.000 0.968 34 D CA 2.674 56.764 54.000 0.150 0.000 0.882 34 D CB -0.385 40.524 40.800 0.182 0.000 0.918 34 D HN -0.367 7.997 8.370 0.164 0.104 0.503 35 E N -2.049 118.083 120.200 -0.114 0.000 2.274 35 E HA -0.310 nan 4.350 nan 0.000 0.194 35 E C 0.496 176.843 176.600 -0.423 0.000 0.996 35 E CA 0.292 56.365 56.400 -0.546 0.000 0.840 35 E CB -0.942 28.549 29.700 -0.348 0.000 0.772 35 E HN 0.043 8.358 8.360 0.014 0.054 0.491 36 Y N 4.172 124.292 120.300 -0.301 0.000 2.811 36 Y HA -0.374 nan 4.550 nan 0.000 0.334 36 Y C -1.122 174.588 175.900 -0.317 0.000 1.247 36 Y CA 1.856 59.734 58.100 -0.370 0.000 1.526 36 Y CB 0.381 38.378 38.460 -0.771 0.000 1.284 36 Y HN -0.934 7.375 8.280 0.048 0.000 0.586 37 D N 6.359 126.158 120.400 -1.002 0.000 2.737 37 D HA -0.478 nan 4.640 nan 0.000 0.238 37 D C -0.971 175.151 176.300 -0.296 0.000 1.157 37 D CA 1.030 54.604 54.000 -0.711 0.000 0.694 37 D CB -0.902 39.392 40.800 -0.844 0.000 1.021 37 D HN 0.455 8.213 8.370 -1.019 0.000 0.420 38 N N -2.410 116.156 118.700 -0.223 0.000 2.705 38 N HA -0.429 nan 4.740 nan 0.000 0.255 38 N C -0.918 174.667 175.510 0.125 0.000 1.008 38 N CA 1.341 54.372 53.050 -0.032 0.000 0.742 38 N CB -1.105 37.393 38.487 0.019 0.000 0.906 38 N HN 0.478 8.693 8.380 -0.275 0.000 0.541 39 Y N -9.645 110.627 120.300 -0.045 0.000 4.668 39 Y HA -0.475 nan 4.550 nan 0.000 0.234 39 Y C 0.155 176.057 175.900 0.002 0.000 1.056 39 Y CA 1.433 59.531 58.100 -0.004 0.000 2.025 39 Y CB -2.171 36.294 38.460 0.008 0.000 1.613 39 Y HN -0.295 7.723 8.280 -0.437 0.000 0.653 40 I N -2.552 118.043 120.570 0.041 0.000 2.500 40 I HA -0.273 nan 4.170 nan 0.000 0.252 40 I C 0.639 176.795 176.117 0.064 0.000 1.142 40 I CA 1.721 63.053 61.300 0.052 0.000 1.451 40 I CB 0.585 38.598 38.000 0.022 0.000 1.093 40 I HN -0.550 7.463 8.210 -0.041 0.173 0.430 41 G N -2.199 106.627 108.800 0.043 0.000 2.760 41 G HA2 -0.281 nan 3.960 nan 0.000 0.246 41 G HA3 -0.281 nan 3.960 nan 0.000 0.246 41 G C -0.766 174.188 174.900 0.091 0.000 1.359 41 G CA -0.504 44.651 45.100 0.091 0.000 0.861 41 G HN -0.353 7.896 8.290 -0.030 0.023 0.541 42 Y N -0.292 120.000 120.300 -0.014 0.000 2.511 42 Y HA -0.059 nan 4.550 nan 0.000 0.279 42 Y C 1.350 177.094 175.900 -0.259 0.000 1.157 42 Y CA 1.359 59.296 58.100 -0.272 0.000 1.300 42 Y CB -0.213 37.741 38.460 -0.844 0.000 1.052 42 Y HN 0.398 8.815 8.280 0.227 0.000 0.529 43 G N 0.531 109.321 108.800 -0.016 0.000 2.491 43 G HA2 -0.322 nan 3.960 nan 0.000 0.218 43 G HA3 -0.322 nan 3.960 nan 0.000 0.218 43 G C -1.345 173.563 174.900 0.014 0.000 1.180 43 G CA 2.464 47.548 45.100 -0.026 0.000 0.774 43 G HN 0.649 8.904 8.290 0.025 0.050 0.562 44 P HA -0.194 nan 4.420 nan 0.000 0.215 44 P C 0.900 178.261 177.300 0.102 0.000 1.157 44 P CA 2.629 65.784 63.100 0.090 0.000 0.868 44 P CB -0.580 31.192 31.700 0.120 0.000 0.788 45 V N -3.146 116.828 119.914 0.100 0.000 2.594 45 V HA -0.296 nan 4.120 nan 0.000 0.253 45 V C 1.625 177.733 176.094 0.023 0.000 1.069 45 V CA 2.869 65.213 62.300 0.074 0.000 1.082 45 V CB -0.597 31.278 31.823 0.086 0.000 0.680 45 V HN -0.182 8.078 8.190 0.117 0.000 0.469 46 L N -1.637 119.579 121.223 -0.011 0.000 2.156 46 L HA -0.274 nan 4.340 nan 0.000 0.208 46 L C 1.881 178.800 176.870 0.083 0.000 1.095 46 L CA 3.140 57.971 54.840 -0.015 0.000 0.770 46 L CB -0.528 41.474 42.059 -0.096 0.000 0.914 46 L HN -0.455 7.742 8.230 -0.030 0.014 0.439 47 V N -0.979 119.007 119.914 0.119 0.000 2.719 47 V HA -0.329 nan 4.120 nan 0.000 0.252 47 V C 1.223 177.499 176.094 0.302 0.000 1.065 47 V CA 3.221 65.663 62.300 0.236 0.000 1.086 47 V CB -0.725 31.187 31.823 0.147 0.000 0.700 47 V HN -0.161 8.078 8.190 0.081 0.000 0.467 48 R N 0.709 121.344 120.500 0.225 0.000 2.091 48 R HA -0.345 nan 4.340 nan 0.000 0.238 48 R C 1.777 178.145 176.300 0.113 0.000 1.136 48 R CA 3.558 59.811 56.100 0.256 0.000 0.959 48 R CB -0.133 30.235 30.300 0.115 0.000 0.856 48 R HN -0.243 8.125 8.270 0.163 0.000 0.437 49 L N -1.175 120.048 121.223 -0.000 0.000 2.056 49 L HA -0.287 nan 4.340 nan 0.000 0.207 49 L C 1.192 178.043 176.870 -0.032 0.000 1.078 49 L CA 3.037 57.793 54.840 -0.139 0.000 0.749 49 L CB -0.451 41.487 42.059 -0.202 0.000 0.901 49 L HN -0.132 8.110 8.230 0.019 0.000 0.433 50 A N -0.741 122.158 122.820 0.131 0.000 1.940 50 A HA -0.340 nan 4.320 nan 0.000 0.219 50 A C 1.590 179.331 177.584 0.262 0.000 1.176 50 A CA 3.039 55.196 52.037 0.201 0.000 0.631 50 A CB -0.931 18.248 19.000 0.298 0.000 0.814 50 A HN -0.261 7.982 8.150 0.155 0.000 0.446 51 W N -1.347 120.099 121.300 0.244 0.000 2.409 51 W HA -0.425 nan 4.660 nan 0.000 0.299 51 W C 1.513 178.196 176.519 0.273 0.000 1.203 51 W CA 3.054 60.570 57.345 0.285 0.000 1.298 51 W CB 0.112 29.797 29.460 0.375 0.000 1.127 51 W HN -0.173 8.336 8.180 0.548 0.000 0.528 52 H N -0.630 118.150 119.070 -0.484 0.000 2.423 52 H HA -0.352 nan 4.556 nan 0.000 0.297 52 H C 2.481 177.617 175.328 -0.320 0.000 1.075 52 H CA 3.516 59.209 56.048 -0.592 0.000 1.342 52 H CB 0.884 30.406 29.762 -0.401 0.000 1.395 52 H HN -0.170 8.153 8.280 0.071 0.000 0.530 53 I N -4.891 115.623 120.570 -0.093 0.000 2.761 53 I HA -0.181 nan 4.170 nan 0.000 0.261 53 I C 0.480 176.623 176.117 0.042 0.000 1.198 53 I CA 1.710 63.003 61.300 -0.012 0.000 1.482 53 I CB -0.116 37.901 38.000 0.027 0.000 1.100 53 I HN -0.440 7.724 8.210 -0.076 0.000 0.445 54 S N 0.037 115.756 115.700 0.032 0.000 2.456 54 S HA 0.050 nan 4.470 nan 0.000 0.224 54 S C 2.068 176.721 174.600 0.088 0.000 1.035 54 S CA 2.677 60.920 58.200 0.071 0.000 0.940 54 S CB 0.845 64.105 63.200 0.100 0.000 0.799 54 S HN -0.689 7.610 8.310 0.024 0.025 0.508 55 G N 0.548 109.303 108.800 -0.076 0.000 2.679 55 G HA2 -0.140 nan 3.960 nan 0.000 0.212 55 G HA3 -0.140 nan 3.960 nan 0.000 0.212 55 G C -0.269 174.603 174.900 -0.047 0.000 1.137 55 G CA 1.950 46.959 45.100 -0.153 0.000 0.787 55 G HN 0.345 8.508 8.290 -0.213 0.000 0.534 56 T N -2.400 112.150 114.554 -0.007 0.000 3.118 56 T HA -0.084 nan 4.350 nan 0.000 0.260 56 T C 0.141 174.928 174.700 0.145 0.000 1.139 56 T CA -0.437 61.695 62.100 0.054 0.000 1.085 56 T CB -0.752 68.156 68.868 0.067 0.000 0.934 56 T HN -0.474 7.697 8.240 -0.024 0.054 0.518 57 W N 2.402 123.697 121.300 -0.007 0.000 2.158 57 W HA -0.185 nan 4.660 nan 0.000 0.339 57 W C -1.949 174.548 176.519 -0.037 0.000 1.294 57 W CA 1.314 58.660 57.345 0.002 0.000 1.231 57 W CB 0.757 30.230 29.460 0.021 0.000 1.143 57 W HN -0.549 7.764 8.180 0.319 0.059 0.571 58 D N 6.622 126.619 120.400 -0.671 0.000 2.505 58 D HA 0.319 nan 4.640 nan 0.000 0.250 58 D C 0.136 175.625 176.300 -1.351 0.000 1.164 58 D CA -1.597 51.942 54.000 -0.768 0.000 0.870 58 D CB 2.156 42.748 40.800 -0.345 0.000 1.160 58 D HN 0.017 7.997 8.370 -0.649 0.000 0.549 59 K N 6.376 125.833 120.400 -1.571 0.000 2.360 59 K HA -0.307 nan 4.320 nan 0.000 0.201 59 K C 0.894 177.050 176.600 -0.739 0.000 1.046 59 K CA 2.097 57.549 56.287 -1.393 0.000 0.940 59 K CB -0.197 31.760 32.500 -0.905 0.000 0.748 59 K HN 0.215 7.696 8.250 -1.283 0.000 0.465 60 H N -0.747 118.077 119.070 -0.410 0.000 2.372 60 H HA -0.108 nan 4.556 nan 0.000 0.301 60 H C 1.006 176.223 175.328 -0.186 0.000 1.065 60 H CA 2.163 58.071 56.048 -0.233 0.000 1.364 60 H CB 0.519 30.171 29.762 -0.184 0.000 1.406 60 H HN -0.075 8.036 8.280 -0.675 -0.235 0.521 61 D N -4.585 115.754 120.400 -0.101 0.000 2.527 61 D HA -0.060 nan 4.640 nan 0.000 0.224 61 D C 0.351 176.598 176.300 -0.088 0.000 1.217 61 D CA -0.803 53.151 54.000 -0.077 0.000 0.819 61 D CB 0.107 40.879 40.800 -0.047 0.000 1.061 61 D HN -0.597 7.671 8.370 -0.169 0.000 0.515 62 N N -1.685 116.925 118.700 -0.150 0.000 2.714 62 N HA -0.376 nan 4.740 nan 0.000 0.250 62 N C -0.793 174.802 175.510 0.142 0.000 1.117 62 N CA 0.790 53.851 53.050 0.017 0.000 0.719 62 N CB -0.837 37.678 38.487 0.046 0.000 1.081 62 N HN -0.056 8.151 8.380 -0.289 0.000 0.557 63 T N -5.712 108.867 114.554 0.042 0.000 2.874 63 T HA 0.393 nan 4.350 nan 0.000 0.281 63 T C -0.230 174.594 174.700 0.207 0.000 0.994 63 T CA -1.576 60.609 62.100 0.141 0.000 1.015 63 T CB 1.957 70.864 68.868 0.064 0.000 1.028 63 T HN -0.727 7.632 8.240 -0.085 -0.170 0.523 64 G N 2.707 111.646 108.800 0.231 0.000 2.601 64 G HA2 -0.495 nan 3.960 nan 0.000 0.252 64 G HA3 -0.495 nan 3.960 nan 0.000 0.252 64 G C -0.903 174.205 174.900 0.346 0.000 1.294 64 G CA -0.147 45.100 45.100 0.246 0.000 0.912 64 G HN 0.340 8.754 8.290 0.207 0.000 0.574 65 G N -1.221 107.759 108.800 0.301 0.000 2.710 65 G HA2 -0.291 nan 3.960 nan 0.000 0.668 65 G HA3 -0.291 nan 3.960 nan 0.000 0.668 65 G C 0.463 175.441 174.900 0.130 0.000 1.320 65 G CA -0.486 44.728 45.100 0.190 0.000 0.860 65 G HN -0.274 8.213 8.290 0.257 -0.043 0.538 66 S N 0.603 116.348 115.700 0.075 0.000 2.436 66 S HA -0.270 nan 4.470 nan 0.000 0.228 66 S C 1.509 176.176 174.600 0.112 0.000 1.014 66 S CA 2.070 60.334 58.200 0.107 0.000 0.950 66 S CB 0.349 63.596 63.200 0.077 0.000 0.784 66 S HN 0.472 8.786 8.310 0.007 0.000 0.504 67 Y N 3.923 124.175 120.300 -0.081 0.000 2.062 67 Y HA -0.452 nan 4.550 nan 0.000 0.276 67 Y C 1.053 176.899 175.900 -0.090 0.000 1.189 67 Y CA 3.148 61.163 58.100 -0.142 0.000 1.130 67 Y CB -0.048 38.214 38.460 -0.330 0.000 0.959 67 Y HN 0.184 8.542 8.280 0.130 0.000 0.499 68 G N -6.197 102.658 108.800 0.091 0.000 2.572 68 G HA2 -0.201 nan 3.960 nan 0.000 0.216 68 G HA3 -0.201 nan 3.960 nan 0.000 0.216 68 G C -0.299 174.661 174.900 0.099 0.000 1.133 68 G CA -0.245 44.906 45.100 0.085 0.000 0.791 68 G HN 0.045 8.421 8.290 0.144 0.000 0.538 69 G N -0.408 108.481 108.800 0.147 0.000 2.305 69 G HA2 -0.467 nan 3.960 nan 0.000 0.287 69 G HA3 -0.467 nan 3.960 nan 0.000 0.287 69 G C 0.638 175.716 174.900 0.296 0.000 1.036 69 G CA 1.006 46.263 45.100 0.263 0.000 0.887 69 G HN -0.478 7.846 8.290 0.141 0.050 0.505 70 T N -3.756 110.979 114.554 0.301 0.000 3.113 70 T HA -0.293 nan 4.350 nan 0.000 0.263 70 T C 1.062 175.942 174.700 0.299 0.000 1.143 70 T CA 1.742 64.054 62.100 0.353 0.000 1.090 70 T CB -0.915 68.195 68.868 0.404 0.000 0.922 70 T HN 0.224 8.620 8.240 0.286 0.016 0.521 71 Y N 3.711 124.121 120.300 0.184 0.000 2.403 71 Y HA -0.328 nan 4.550 nan 0.000 0.291 71 Y C -0.013 175.930 175.900 0.071 0.000 1.143 71 Y CA 1.562 59.725 58.100 0.104 0.000 1.257 71 Y CB -0.540 37.887 38.460 -0.056 0.000 0.984 71 Y HN -0.518 7.972 8.280 0.452 0.062 0.550 72 R N -2.145 118.346 120.500 -0.016 0.000 2.193 72 R HA -0.290 nan 4.340 nan 0.000 0.229 72 R C 0.688 176.715 176.300 -0.456 0.000 1.110 72 R CA 1.639 57.576 56.100 -0.273 0.000 0.988 72 R CB -0.274 29.933 30.300 -0.154 0.000 0.871 72 R HN -0.809 7.557 8.270 0.200 0.024 0.458 73 F N -0.596 119.304 119.950 -0.084 0.000 2.412 73 F HA 0.123 nan 4.527 nan 0.000 0.348 73 F C 1.045 176.776 175.800 -0.115 0.000 1.102 73 F CA -1.081 56.867 58.000 -0.088 0.000 1.196 73 F CB 0.110 39.104 39.000 -0.010 0.000 1.144 73 F HN -0.514 7.506 8.300 -0.208 0.155 0.541 74 K N 4.720 125.178 120.400 0.096 0.000 2.107 74 K HA -0.493 nan 4.320 nan 0.000 0.211 74 K C 1.862 178.506 176.600 0.072 0.000 1.049 74 K CA 4.218 60.527 56.287 0.037 0.000 0.927 74 K CB -0.550 31.965 32.500 0.025 0.000 0.714 74 K HN 0.730 9.067 8.250 0.146 0.000 0.452 75 K N -1.926 118.523 120.400 0.081 0.000 2.032 75 K HA -0.346 nan 4.320 nan 0.000 0.209 75 K C 1.261 177.909 176.600 0.079 0.000 1.048 75 K CA 3.246 59.574 56.287 0.068 0.000 0.927 75 K CB -0.200 32.333 32.500 0.056 0.000 0.712 75 K HN -0.073 8.235 8.250 0.097 0.000 0.441 76 E N -2.626 117.636 120.200 0.104 0.000 2.051 76 E HA -0.216 nan 4.350 nan 0.000 0.189 76 E C 2.529 179.160 176.600 0.052 0.000 0.979 76 E CA 2.227 58.693 56.400 0.110 0.000 0.803 76 E CB 0.210 30.014 29.700 0.173 0.000 0.761 76 E HN -0.731 7.708 8.360 0.133 0.000 0.451 77 F N -0.238 119.527 119.950 -0.309 0.000 2.202 77 F HA -0.310 nan 4.527 nan 0.000 0.301 77 F C 0.306 175.996 175.800 -0.183 0.000 1.082 77 F CA 3.160 60.838 58.000 -0.538 0.000 1.313 77 F CB 0.299 38.875 39.000 -0.707 0.000 1.024 77 F HN -0.308 7.987 8.300 -0.010 0.000 0.495 78 N N -3.428 115.299 118.700 0.044 0.000 2.322 78 N HA -0.009 nan 4.740 nan 0.000 0.194 78 N C -1.109 174.415 175.510 0.024 0.000 1.126 78 N CA -0.096 52.970 53.050 0.027 0.000 0.845 78 N CB 0.552 39.079 38.487 0.066 0.000 0.976 78 N HN -0.527 7.888 8.380 0.088 0.018 0.475 79 D N 2.863 123.285 120.400 0.036 0.000 2.487 79 D HA 0.085 nan 4.640 nan 0.000 0.243 79 D C -0.268 176.058 176.300 0.044 0.000 1.154 79 D CA -1.401 52.628 54.000 0.049 0.000 0.876 79 D CB 0.788 41.629 40.800 0.069 0.000 1.161 79 D HN -0.507 7.706 8.370 0.041 0.181 0.478 80 P HA -0.158 nan 4.420 nan 0.000 0.218 80 P C 1.367 178.710 177.300 0.071 0.000 1.148 80 P CA 1.969 65.097 63.100 0.047 0.000 0.822 80 P CB 0.293 32.020 31.700 0.044 0.000 0.784 81 S N -1.723 114.028 115.700 0.084 0.000 2.442 81 S HA -0.310 nan 4.470 nan 0.000 0.236 81 S C 0.611 175.338 174.600 0.212 0.000 1.007 81 S CA 3.270 61.547 58.200 0.128 0.000 0.965 81 S CB -0.383 62.856 63.200 0.065 0.000 0.773 81 S HN -0.102 8.507 8.310 0.068 -0.258 0.504 82 N N -0.350 118.443 118.700 0.155 0.000 2.314 82 N HA 0.039 nan 4.740 nan 0.000 0.200 82 N C -1.446 174.074 175.510 0.016 0.000 1.135 82 N CA -1.118 52.013 53.050 0.135 0.000 0.835 82 N CB -0.082 38.505 38.487 0.167 0.000 0.989 82 N HN -0.306 7.977 8.380 0.108 0.162 0.478 83 A N -0.653 122.182 122.820 0.025 0.000 2.561 83 A HA -0.186 nan 4.320 nan 0.000 0.251 83 A C 0.332 177.908 177.584 -0.014 0.000 1.062 83 A CA 1.688 53.722 52.037 -0.004 0.000 0.761 83 A CB -0.705 18.311 19.000 0.027 0.000 0.986 83 A HN -0.577 7.444 8.150 0.060 0.165 0.510 84 G N 3.541 112.315 108.800 -0.044 0.000 2.259 84 G HA2 -0.397 nan 3.960 nan 0.000 0.217 84 G HA3 -0.397 nan 3.960 nan 0.000 0.217 84 G C 0.965 175.840 174.900 -0.041 0.000 1.001 84 G CA 0.659 45.732 45.100 -0.044 0.000 0.627 84 G HN 0.379 8.847 8.290 -0.063 -0.215 0.501 85 L N 2.022 123.199 121.223 -0.077 0.000 2.551 85 L HA -0.292 nan 4.340 nan 0.000 0.228 85 L C 0.861 177.727 176.870 -0.006 0.000 1.153 85 L CA 1.612 56.403 54.840 -0.082 0.000 0.851 85 L CB -0.657 41.291 42.059 -0.185 0.000 0.959 85 L HN -0.371 7.737 8.230 -0.089 0.069 0.451 86 Q N -0.456 119.301 119.800 -0.072 0.000 2.181 86 Q HA -0.444 nan 4.340 nan 0.000 0.205 86 Q C 2.230 178.367 176.000 0.228 0.000 0.980 86 Q CA 3.411 59.241 55.803 0.045 0.000 0.862 86 Q CB -0.988 27.747 28.738 -0.005 0.000 0.905 86 Q HN 0.434 8.571 8.270 -0.148 0.044 0.429 87 N N -0.037 118.751 118.700 0.147 0.000 2.069 87 N HA -0.293 nan 4.740 nan 0.000 0.191 87 N C 2.221 177.830 175.510 0.165 0.000 1.031 87 N CA 3.045 56.192 53.050 0.161 0.000 0.852 87 N CB -0.776 37.784 38.487 0.122 0.000 1.018 87 N HN -0.418 8.005 8.380 0.088 0.010 0.423 88 G N -0.892 107.980 108.800 0.120 0.000 2.403 88 G HA2 -0.223 nan 3.960 nan 0.000 0.216 88 G HA3 -0.223 nan 3.960 nan 0.000 0.216 88 G C 1.030 176.039 174.900 0.181 0.000 1.154 88 G CA 1.462 46.611 45.100 0.082 0.000 0.784 88 G HN -0.700 7.561 8.290 0.089 0.083 0.538 89 F N 2.708 122.742 119.950 0.140 0.000 2.134 89 F HA -0.336 nan 4.527 nan 0.000 0.299 89 F C 1.210 177.142 175.800 0.220 0.000 1.097 89 F CA 3.308 61.464 58.000 0.261 0.000 1.264 89 F CB 0.402 39.701 39.000 0.499 0.000 1.001 89 F HN -0.281 8.244 8.300 0.374 0.000 0.479 90 K N -2.403 118.179 120.400 0.302 0.000 2.155 90 K HA -0.359 nan 4.320 nan 0.000 0.203 90 K C 2.029 178.616 176.600 -0.021 0.000 1.052 90 K CA 2.687 59.052 56.287 0.130 0.000 0.948 90 K CB -0.185 32.436 32.500 0.201 0.000 0.728 90 K HN -0.123 8.376 8.250 0.415 0.000 0.448 91 F N -0.293 119.519 119.950 -0.230 0.000 2.134 91 F HA -0.311 nan 4.527 nan 0.000 0.299 91 F C 0.955 176.575 175.800 -0.300 0.000 1.097 91 F CA 2.862 60.605 58.000 -0.429 0.000 1.264 91 F CB 0.617 39.163 39.000 -0.756 0.000 1.001 91 F HN -0.699 7.665 8.300 0.106 0.000 0.479 92 L N -3.467 117.747 121.223 -0.015 0.000 2.291 92 L HA -0.384 nan 4.340 nan 0.000 0.214 92 L C 1.859 178.595 176.870 -0.224 0.000 1.120 92 L CA 2.226 57.005 54.840 -0.101 0.000 0.799 92 L CB -0.503 41.561 42.059 0.008 0.000 0.925 92 L HN -0.272 8.005 8.230 0.078 0.000 0.446 93 E N -0.570 119.455 120.200 -0.292 0.000 2.070 93 E HA -0.272 nan 4.350 nan 0.000 0.197 93 E C -0.905 175.592 176.600 -0.172 0.000 1.004 93 E CA 5.363 61.606 56.400 -0.261 0.000 0.805 93 E CB -2.099 27.456 29.700 -0.241 0.000 0.744 93 E HN -0.360 7.787 8.360 -0.299 0.034 0.451 94 P HA -0.140 nan 4.420 nan 0.000 0.217 94 P C 1.252 178.452 177.300 -0.166 0.000 1.150 94 P CA 2.745 65.736 63.100 -0.182 0.000 0.832 94 P CB -0.538 31.033 31.700 -0.216 0.000 0.787 95 I N -1.655 118.812 120.570 -0.173 0.000 2.286 95 I HA -0.424 nan 4.170 nan 0.000 0.248 95 I C 1.975 178.099 176.117 0.011 0.000 1.115 95 I CA 2.214 63.470 61.300 -0.073 0.000 1.392 95 I CB -1.382 36.548 38.000 -0.117 0.000 1.065 95 I HN -0.723 7.345 8.210 -0.236 0.000 0.418 96 H N 0.847 119.821 119.070 -0.160 0.000 2.389 96 H HA -0.360 nan 4.556 nan 0.000 0.299 96 H C 1.703 176.929 175.328 -0.170 0.000 1.081 96 H CA 2.789 58.731 56.048 -0.177 0.000 1.345 96 H CB 0.439 30.080 29.762 -0.202 0.000 1.393 96 H HN -0.242 8.014 8.280 -0.040 0.000 0.520 97 K N -2.868 117.486 120.400 -0.076 0.000 2.097 97 K HA -0.184 nan 4.320 nan 0.000 0.206 97 K C 1.174 177.665 176.600 -0.181 0.000 1.049 97 K CA 1.477 57.676 56.287 -0.145 0.000 0.933 97 K CB -0.030 32.390 32.500 -0.134 0.000 0.717 97 K HN -0.438 7.775 8.250 -0.062 0.000 0.442 98 E N -1.171 118.890 120.200 -0.231 0.000 2.150 98 E HA -0.206 nan 4.350 nan 0.000 0.193 98 E C 0.166 176.377 176.600 -0.648 0.000 0.985 98 E CA 2.324 58.454 56.400 -0.449 0.000 0.814 98 E CB 0.902 30.286 29.700 -0.527 0.000 0.752 98 E HN -0.522 7.729 8.360 -0.182 0.000 0.466 99 F N -2.643 117.193 119.950 -0.190 0.000 2.449 99 F HA 0.435 nan 4.527 nan 0.000 0.344 99 F C -1.798 173.728 175.800 -0.455 0.000 1.180 99 F CA -3.277 54.496 58.000 -0.378 0.000 1.209 99 F CB 0.261 38.889 39.000 -0.619 0.000 1.440 99 F HN -0.248 7.920 8.300 -0.077 0.086 0.526 100 P HA -0.093 nan 4.420 nan 0.000 0.233 100 P C -0.055 177.235 177.300 -0.017 0.000 1.167 100 P CA 1.190 64.219 63.100 -0.119 0.000 0.770 100 P CB -0.105 31.542 31.700 -0.089 0.000 0.837 101 W N -5.024 116.319 121.300 0.072 0.000 2.519 101 W HA -0.090 nan 4.660 nan 0.000 0.266 101 W C -0.526 176.057 176.519 0.107 0.000 1.253 101 W CA -1.912 55.472 57.345 0.065 0.000 1.274 101 W CB -0.686 28.798 29.460 0.040 0.000 1.114 101 W HN -0.585 7.581 8.180 0.051 0.044 0.596 102 I N 2.303 122.657 120.570 -0.360 0.000 2.529 102 I HA -0.026 nan 4.170 nan 0.000 0.284 102 I C -0.226 175.913 176.117 0.036 0.000 1.082 102 I CA -0.242 60.939 61.300 -0.199 0.000 1.406 102 I CB 1.357 38.991 38.000 -0.609 0.000 1.405 102 I HN -0.770 6.915 8.210 -0.828 0.028 0.548 103 S N 7.755 123.497 115.700 0.069 0.000 2.593 103 S HA 0.065 nan 4.470 nan 0.000 0.269 103 S C 1.260 175.755 174.600 -0.175 0.000 1.334 103 S CA 0.486 58.687 58.200 0.001 0.000 1.015 103 S CB 0.930 64.116 63.200 -0.022 0.000 0.912 103 S HN -0.061 8.617 8.310 0.159 -0.272 0.541 104 S N 3.950 119.514 115.700 -0.226 0.000 2.368 104 S HA -0.322 nan 4.470 nan 0.000 0.225 104 S C 2.061 176.198 174.600 -0.771 0.000 1.030 104 S CA 3.543 61.381 58.200 -0.604 0.000 0.999 104 S CB -0.366 62.634 63.200 -0.334 0.000 0.844 104 S HN 0.293 8.957 8.310 -0.100 -0.414 0.459 105 G N 0.502 109.134 108.800 -0.279 0.000 2.440 105 G HA2 -0.355 nan 3.960 nan 0.000 0.218 105 G HA3 -0.355 nan 3.960 nan 0.000 0.218 105 G C 0.675 175.569 174.900 -0.009 0.000 1.154 105 G CA 2.135 47.194 45.100 -0.069 0.000 0.767 105 G HN -0.283 7.888 8.290 -0.198 0.000 0.552 106 D N 2.331 122.730 120.400 -0.003 0.000 2.144 106 D HA -0.135 nan 4.640 nan 0.000 0.200 106 D C 2.243 178.636 176.300 0.155 0.000 0.978 106 D CA 2.992 57.148 54.000 0.261 0.000 0.833 106 D CB -0.238 40.778 40.800 0.360 0.000 0.961 106 D HN -0.700 7.628 8.370 -0.070 0.000 0.470 107 L N 0.305 121.418 121.223 -0.185 0.000 2.056 107 L HA -0.277 nan 4.340 nan 0.000 0.207 107 L C 1.513 178.311 176.870 -0.120 0.000 1.078 107 L CA 3.358 58.020 54.840 -0.297 0.000 0.749 107 L CB -0.200 41.484 42.059 -0.625 0.000 0.901 107 L HN -0.280 7.766 8.230 -0.308 0.000 0.433 108 F N -2.576 117.362 119.950 -0.019 0.000 2.146 108 F HA -0.329 nan 4.527 nan 0.000 0.298 108 F C 2.321 178.148 175.800 0.045 0.000 1.096 108 F CA 1.908 59.917 58.000 0.015 0.000 1.275 108 F CB -1.169 37.859 39.000 0.047 0.000 1.008 108 F HN 0.156 8.148 8.300 -0.513 0.000 0.480 109 S N -0.009 115.856 115.700 0.275 0.000 2.387 109 S HA -0.309 nan 4.470 nan 0.000 0.226 109 S C 2.126 176.813 174.600 0.145 0.000 1.026 109 S CA 3.014 61.368 58.200 0.256 0.000 0.972 109 S CB 0.277 63.700 63.200 0.373 0.000 0.814 109 S HN -0.088 8.383 8.310 0.268 0.000 0.477 110 L N 2.757 123.954 121.223 -0.043 0.000 2.141 110 L HA -0.193 nan 4.340 nan 0.000 0.209 110 L C 1.848 178.569 176.870 -0.247 0.000 1.094 110 L CA 2.192 56.742 54.840 -0.484 0.000 0.763 110 L CB -0.484 41.118 42.059 -0.763 0.000 0.908 110 L HN -0.104 8.187 8.230 0.102 0.000 0.437 111 G N -1.950 106.787 108.800 -0.106 0.000 2.440 111 G HA2 -0.431 nan 3.960 nan 0.000 0.218 111 G HA3 -0.431 nan 3.960 nan 0.000 0.218 111 G C 0.942 175.840 174.900 -0.004 0.000 1.154 111 G CA 2.561 47.629 45.100 -0.055 0.000 0.767 111 G HN 0.400 8.655 8.290 -0.059 0.000 0.552 112 G N 0.699 109.564 108.800 0.107 0.000 2.402 112 G HA2 -0.254 nan 3.960 nan 0.000 0.216 112 G HA3 -0.254 nan 3.960 nan 0.000 0.216 112 G C 1.077 176.150 174.900 0.288 0.000 1.162 112 G CA 1.655 46.910 45.100 0.259 0.000 0.777 112 G HN -0.685 7.594 8.290 0.115 0.080 0.539 113 V N 2.564 122.621 119.914 0.238 0.000 2.343 113 V HA -0.443 nan 4.120 nan 0.000 0.247 113 V C 2.160 178.323 176.094 0.115 0.000 1.051 113 V CA 4.341 66.782 62.300 0.235 0.000 1.036 113 V CB -0.782 31.145 31.823 0.173 0.000 0.654 113 V HN -0.088 8.194 8.190 0.154 0.000 0.451 114 T N 1.008 115.529 114.554 -0.055 0.000 2.708 114 T HA -0.328 nan 4.350 nan 0.000 0.266 114 T C 1.385 175.970 174.700 -0.192 0.000 1.037 114 T CA 5.130 67.045 62.100 -0.308 0.000 1.146 114 T CB -0.621 67.877 68.868 -0.617 0.000 0.865 114 T HN 0.018 8.202 8.240 -0.094 0.000 0.435 115 A N 0.790 123.543 122.820 -0.113 0.000 1.877 115 A HA -0.226 nan 4.320 nan 0.000 0.216 115 A C 1.663 179.213 177.584 -0.057 0.000 1.186 115 A CA 3.316 55.308 52.037 -0.075 0.000 0.620 115 A CB -0.861 18.111 19.000 -0.046 0.000 0.822 115 A HN -0.326 7.770 8.150 -0.088 0.000 0.443 116 V N -0.732 119.138 119.914 -0.074 0.000 2.287 116 V HA -0.589 nan 4.120 nan 0.000 0.248 116 V C 2.458 178.422 176.094 -0.217 0.000 1.053 116 V CA 4.669 66.837 62.300 -0.219 0.000 1.027 116 V CB -1.084 30.532 31.823 -0.345 0.000 0.646 116 V HN -0.410 7.763 8.190 -0.028 0.000 0.447 117 Q N -1.932 117.816 119.800 -0.086 0.000 2.084 117 Q HA -0.351 nan 4.340 nan 0.000 0.202 117 Q C 3.158 179.178 176.000 0.034 0.000 0.978 117 Q CA 3.269 59.072 55.803 0.000 0.000 0.844 117 Q CB -0.215 28.633 28.738 0.183 0.000 0.898 117 Q HN -0.226 8.027 8.270 -0.028 0.000 0.426 118 E N -0.779 119.436 120.200 0.025 0.000 2.274 118 E HA -0.183 nan 4.350 nan 0.000 0.194 118 E C 1.336 177.955 176.600 0.031 0.000 0.996 118 E CA 1.778 58.196 56.400 0.030 0.000 0.840 118 E CB -0.247 29.443 29.700 -0.016 0.000 0.772 118 E HN -0.153 8.202 8.360 -0.009 0.000 0.491 119 M N -1.654 117.957 119.600 0.017 0.000 2.631 119 M HA 0.169 nan 4.480 nan 0.000 0.241 119 M C -1.290 175.057 176.300 0.079 0.000 1.255 119 M CA -0.194 55.138 55.300 0.053 0.000 0.983 119 M CB -0.357 32.284 32.600 0.069 0.000 1.580 119 M HN -0.269 7.899 8.290 -0.013 0.115 0.464 120 Q N -5.539 114.295 119.800 0.056 0.000 2.453 120 Q HA -0.472 nan 4.340 nan 0.000 0.294 120 Q C -0.755 175.296 176.000 0.086 0.000 1.295 120 Q CA 0.616 56.468 55.803 0.082 0.000 0.853 120 Q CB -3.209 25.603 28.738 0.122 0.000 1.193 120 Q HN -0.209 7.959 8.270 0.043 0.128 0.461 121 G N 1.410 110.102 108.800 -0.179 0.000 2.532 121 G HA2 0.251 nan 3.960 nan 0.000 0.291 121 G HA3 0.251 nan 3.960 nan 0.000 0.291 121 G C -2.090 172.420 174.900 -0.649 0.000 1.349 121 G CA -1.294 43.351 45.100 -0.758 0.000 1.038 121 G HN -0.157 7.998 8.290 -0.172 0.032 0.518 122 P HA 0.025 nan 4.420 nan 0.000 0.272 122 P C -1.324 175.850 177.300 -0.210 0.000 1.230 122 P CA -0.595 62.263 63.100 -0.403 0.000 0.788 122 P CB 0.996 32.437 31.700 -0.432 0.000 0.949 123 K N -0.295 120.067 120.400 -0.063 0.000 2.448 123 K HA -0.064 nan 4.320 nan 0.000 0.278 123 K C -0.446 176.159 176.600 0.009 0.000 1.009 123 K CA -0.254 56.031 56.287 -0.004 0.000 0.995 123 K CB 0.042 32.552 32.500 0.016 0.000 0.917 123 K HN -0.025 8.211 8.250 -0.024 0.000 0.481 124 I N 5.511 126.126 120.570 0.075 0.000 2.359 124 I HA 0.247 nan 4.170 nan 0.000 0.284 124 I C -1.686 174.511 176.117 0.133 0.000 1.018 124 I CA -4.777 56.592 61.300 0.116 0.000 1.173 124 I CB -1.090 37.052 38.000 0.236 0.000 1.326 124 I HN 0.082 8.673 8.210 0.114 -0.313 0.462 125 P HA -0.085 nan 4.420 nan 0.000 0.263 125 P C -2.207 175.159 177.300 0.111 0.000 1.175 125 P CA 0.071 63.186 63.100 0.025 0.000 0.761 125 P CB 0.188 31.852 31.700 -0.060 0.000 0.794 126 W N 6.053 127.291 121.300 -0.103 0.000 3.022 126 W HA 0.240 nan 4.660 nan 0.000 0.335 126 W C -2.777 173.628 176.519 -0.190 0.000 1.133 126 W CA -1.270 56.038 57.345 -0.062 0.000 1.219 126 W CB 4.089 33.642 29.460 0.154 0.000 1.409 126 W HN 0.598 8.865 8.180 0.144 0.000 0.507 127 R N 2.768 122.744 120.500 -0.874 0.000 2.562 127 R HA 0.572 nan 4.340 nan 0.000 0.298 127 R C -1.381 174.106 176.300 -1.354 0.000 0.961 127 R CA -1.724 53.785 56.100 -0.985 0.000 0.881 127 R CB 3.442 33.196 30.300 -0.910 0.000 1.159 127 R HN 0.362 8.032 8.270 -0.999 0.000 0.450 128 C N -1.927 116.754 119.300 -1.031 0.000 2.403 128 C HA 0.535 nan 4.460 nan 0.000 0.361 128 C C 0.723 175.564 174.990 -0.248 0.000 1.274 128 C CA -2.104 56.439 59.018 -0.791 0.000 2.433 128 C CB 0.696 28.087 27.740 -0.581 0.000 2.323 128 C HN 0.595 8.349 8.230 -0.794 0.000 0.614 129 G N -0.026 108.720 108.800 -0.089 0.000 2.183 129 G HA2 -0.253 nan 3.960 nan 0.000 0.168 129 G HA3 -0.253 nan 3.960 nan 0.000 0.168 129 G C -1.250 173.590 174.900 -0.099 0.000 1.008 129 G CA -0.313 44.782 45.100 -0.009 0.000 0.677 129 G HN 0.462 9.178 8.290 -0.045 -0.453 0.498 130 R N 0.153 120.542 120.500 -0.184 0.000 2.643 130 R HA 0.109 nan 4.340 nan 0.000 0.270 130 R C -0.839 175.152 176.300 -0.515 0.000 1.061 130 R CA 0.799 56.614 56.100 -0.474 0.000 1.107 130 R CB 0.843 30.967 30.300 -0.293 0.000 0.999 130 R HN -0.288 8.193 8.270 -0.133 -0.291 0.460 131 V N 3.572 122.929 119.914 -0.928 0.000 2.531 131 V HA 0.064 nan 4.120 nan 0.000 0.301 131 V C -1.117 174.775 176.094 -0.337 0.000 1.034 131 V CA -1.423 60.604 62.300 -0.453 0.000 0.865 131 V CB 2.516 34.176 31.823 -0.271 0.000 0.995 131 V HN -0.193 6.866 8.190 -1.884 0.000 0.424 132 D N 5.688 126.014 120.400 -0.122 0.000 2.450 132 D HA -0.038 nan 4.640 nan 0.000 0.247 132 D C -0.173 176.172 176.300 0.074 0.000 1.162 132 D CA 0.885 54.875 54.000 -0.017 0.000 0.879 132 D CB 0.275 41.086 40.800 0.019 0.000 1.163 132 D HN 0.049 8.366 8.370 -0.087 0.000 0.472 133 T N 0.489 115.134 114.554 0.151 0.000 2.948 133 T HA 0.529 nan 4.350 nan 0.000 0.285 133 T C -1.920 172.943 174.700 0.271 0.000 1.019 133 T CA -3.295 58.927 62.100 0.203 0.000 1.013 133 T CB 0.353 69.354 68.868 0.221 0.000 1.117 133 T HN -0.247 8.086 8.240 0.154 0.000 0.533 134 P HA 0.293 nan 4.420 nan 0.000 0.274 134 P C 0.705 177.925 177.300 -0.134 0.000 1.237 134 P CA -1.234 61.923 63.100 0.095 0.000 0.793 134 P CB 0.759 32.478 31.700 0.033 0.000 0.977 135 E N 1.930 121.720 120.200 -0.684 0.000 2.233 135 E HA -0.436 nan 4.350 nan 0.000 0.199 135 E C 1.243 177.551 176.600 -0.487 0.000 1.004 135 E CA 3.640 59.276 56.400 -1.272 0.000 0.819 135 E CB -0.122 28.832 29.700 -1.244 0.000 0.738 135 E HN 0.556 8.612 8.360 -0.506 0.000 0.478 136 D N -5.943 114.313 120.400 -0.239 0.000 2.363 136 D HA -0.117 nan 4.640 nan 0.000 0.226 136 D C 1.186 177.460 176.300 -0.042 0.000 1.020 136 D CA 1.160 55.091 54.000 -0.115 0.000 0.892 136 D CB -1.031 39.727 40.800 -0.071 0.000 0.900 136 D HN 0.053 8.269 8.370 -0.208 0.029 0.531 137 T N -4.220 110.328 114.554 -0.010 0.000 3.081 137 T HA 0.069 nan 4.350 nan 0.000 0.250 137 T C 0.545 175.305 174.700 0.100 0.000 1.100 137 T CA -0.145 61.997 62.100 0.071 0.000 1.038 137 T CB 0.427 69.373 68.868 0.130 0.000 0.962 137 T HN -0.303 7.751 8.240 -0.043 0.160 0.516 138 T N 7.507 122.106 114.554 0.074 0.000 2.792 138 T HA 0.079 nan 4.350 nan 0.000 0.286 138 T C -1.528 173.231 174.700 0.098 0.000 0.970 138 T CA 0.009 62.187 62.100 0.129 0.000 1.187 138 T CB -0.572 68.362 68.868 0.110 0.000 0.915 138 T HN -0.613 7.454 8.240 -0.014 0.166 0.529 139 P HA 0.009 nan 4.420 nan 0.000 0.269 139 P C -1.497 175.846 177.300 0.072 0.000 1.209 139 P CA -0.661 62.492 63.100 0.087 0.000 0.776 139 P CB 0.655 32.414 31.700 0.098 0.000 0.876 140 D N 1.012 121.443 120.400 0.052 0.000 2.362 140 D HA -0.115 nan 4.640 nan 0.000 0.242 140 D C 0.250 176.580 176.300 0.050 0.000 1.132 140 D CA 0.606 54.634 54.000 0.046 0.000 0.907 140 D CB 0.631 41.452 40.800 0.034 0.000 1.195 140 D HN 0.094 8.492 8.370 0.047 0.000 0.429 141 N N -0.232 118.497 118.700 0.048 0.000 2.283 141 N HA -0.265 nan 4.740 nan 0.000 0.236 141 N C 1.181 176.720 175.510 0.047 0.000 1.252 141 N CA 1.283 54.362 53.050 0.048 0.000 0.856 141 N CB 0.002 38.516 38.487 0.045 0.000 1.099 141 N HN 0.281 8.690 8.380 0.047 0.000 0.444 142 G N 0.062 108.892 108.800 0.050 0.000 2.159 142 G HA2 -0.252 nan 3.960 nan 0.000 0.227 142 G HA3 -0.252 nan 3.960 nan 0.000 0.227 142 G C -0.162 174.790 174.900 0.086 0.000 0.986 142 G CA 0.317 45.456 45.100 0.065 0.000 0.651 142 G HN 0.385 8.701 8.290 0.043 0.000 0.523 143 R N -1.504 119.041 120.500 0.075 0.000 2.290 143 R HA 0.025 nan 4.340 nan 0.000 0.197 143 R C -0.178 176.237 176.300 0.192 0.000 0.913 143 R CA 0.006 56.173 56.100 0.111 0.000 1.040 143 R CB 0.633 30.968 30.300 0.058 0.000 0.992 143 R HN 0.067 8.367 8.270 0.050 0.000 0.500 144 L N -0.515 120.744 121.223 0.061 0.000 2.399 144 L HA 0.184 nan 4.340 nan 0.000 0.266 144 L C -1.828 174.973 176.870 -0.115 0.000 1.114 144 L CA -2.588 52.216 54.840 -0.060 0.000 0.804 144 L CB 0.077 41.957 42.059 -0.298 0.000 1.146 144 L HN -0.398 7.795 8.230 0.028 0.054 0.451 145 P HA 0.047 nan 4.420 nan 0.000 0.275 145 P C -1.549 175.722 177.300 -0.048 0.000 1.228 145 P CA -0.626 62.168 63.100 -0.511 0.000 0.786 145 P CB 0.493 31.611 31.700 -0.970 0.000 0.927 146 D N 3.804 124.247 120.400 0.072 0.000 2.313 146 D HA 0.085 nan 4.640 nan 0.000 0.247 146 D C 0.276 176.586 176.300 0.018 0.000 1.094 146 D CA -0.172 53.839 54.000 0.018 0.000 0.925 146 D CB 0.809 41.556 40.800 -0.088 0.000 1.188 146 D HN -0.032 8.471 8.370 0.221 0.000 0.430 147 A N -0.445 122.405 122.820 0.050 0.000 2.147 147 A HA 0.033 nan 4.320 nan 0.000 0.211 147 A C -0.461 177.124 177.584 0.003 0.000 1.160 147 A CA 1.585 53.625 52.037 0.005 0.000 0.781 147 A CB 0.444 19.349 19.000 -0.158 0.000 0.842 147 A HN 0.162 8.372 8.150 0.099 0.000 0.475 148 D N -4.511 115.915 120.400 0.043 0.000 2.676 148 D HA -0.002 nan 4.640 nan 0.000 0.239 148 D C -0.932 175.358 176.300 -0.017 0.000 1.213 148 D CA -0.556 53.482 54.000 0.063 0.000 0.835 148 D CB -1.777 39.083 40.800 0.100 0.000 1.009 148 D HN 0.236 8.630 8.370 0.041 0.000 0.479 149 K N -1.144 119.222 120.400 -0.056 0.000 2.246 149 K HA 0.262 nan 4.320 nan 0.000 0.239 149 K C -1.493 175.162 176.600 0.093 0.000 1.089 149 K CA -1.725 54.508 56.287 -0.091 0.000 0.892 149 K CB 2.210 34.398 32.500 -0.519 0.000 1.334 149 K HN -0.723 7.436 8.250 -0.017 0.081 0.507 150 D N -3.871 116.626 120.400 0.161 0.000 2.616 150 D HA 0.258 nan 4.640 nan 0.000 0.260 150 D C 0.248 176.725 176.300 0.295 0.000 1.158 150 D CA -1.206 52.925 54.000 0.218 0.000 1.085 150 D CB 1.193 42.103 40.800 0.183 0.000 1.222 150 D HN -0.175 8.279 8.370 0.140 0.000 0.626 151 A N -1.450 121.530 122.820 0.268 0.000 1.933 151 A HA -0.274 nan 4.320 nan 0.000 0.218 151 A C 1.928 179.680 177.584 0.280 0.000 1.175 151 A CA 3.325 55.559 52.037 0.328 0.000 0.628 151 A CB -0.530 18.619 19.000 0.248 0.000 0.814 151 A HN 0.308 8.592 8.150 0.222 0.000 0.444 152 G N -1.252 107.670 108.800 0.204 0.000 2.418 152 G HA2 -0.322 nan 3.960 nan 0.000 0.217 152 G HA3 -0.322 nan 3.960 nan 0.000 0.217 152 G C 0.833 175.875 174.900 0.236 0.000 1.158 152 G CA 1.668 46.871 45.100 0.172 0.000 0.771 152 G HN -0.196 8.204 8.290 0.184 0.000 0.545 153 Y N 2.775 123.178 120.300 0.172 0.000 2.114 153 Y HA -0.440 nan 4.550 nan 0.000 0.284 153 Y C 1.759 177.824 175.900 0.276 0.000 1.143 153 Y CA 3.971 62.187 58.100 0.194 0.000 1.135 153 Y CB 0.194 38.750 38.460 0.161 0.000 0.980 153 Y HN -0.612 8.138 8.280 0.389 -0.237 0.499 154 V N -0.408 119.712 119.914 0.344 0.000 2.324 154 V HA -0.590 nan 4.120 nan 0.000 0.250 154 V C 1.925 178.280 176.094 0.436 0.000 1.060 154 V CA 4.523 67.052 62.300 0.383 0.000 1.042 154 V CB -1.233 30.856 31.823 0.443 0.000 0.650 154 V HN -0.183 8.318 8.190 0.519 0.000 0.450 155 R N -1.799 118.926 120.500 0.374 0.000 2.073 155 R HA -0.399 nan 4.340 nan 0.000 0.234 155 R C 2.029 178.456 176.300 0.213 0.000 1.134 155 R CA 3.835 60.123 56.100 0.313 0.000 0.952 155 R CB -0.091 30.309 30.300 0.168 0.000 0.850 155 R HN 0.133 8.614 8.270 0.350 0.000 0.433 156 T N 1.699 116.330 114.554 0.128 0.000 2.737 156 T HA -0.272 nan 4.350 nan 0.000 0.265 156 T C 1.895 176.592 174.700 -0.005 0.000 1.038 156 T CA 4.576 66.709 62.100 0.055 0.000 1.144 156 T CB -0.578 68.314 68.868 0.038 0.000 0.866 156 T HN -0.456 7.863 8.240 0.132 0.000 0.434 157 F N 3.172 123.003 119.950 -0.199 0.000 2.043 157 F HA -0.499 nan 4.527 nan 0.000 0.297 157 F C 1.370 177.085 175.800 -0.143 0.000 1.121 157 F CA 3.397 61.224 58.000 -0.288 0.000 1.199 157 F CB 0.244 38.910 39.000 -0.556 0.000 0.968 157 F HN 0.049 8.317 8.300 -0.054 0.000 0.478 158 F N -2.814 117.173 119.950 0.061 0.000 2.546 158 F HA -0.342 nan 4.527 nan 0.000 0.298 158 F C 1.899 177.686 175.800 -0.021 0.000 1.120 158 F CA 3.524 61.550 58.000 0.044 0.000 1.456 158 F CB -0.504 38.610 39.000 0.190 0.000 1.088 158 F HN -0.012 8.564 8.300 0.461 0.000 0.572 159 Q N -0.561 119.303 119.800 0.107 0.000 2.226 159 Q HA -0.402 nan 4.340 nan 0.000 0.204 159 Q C 2.253 178.222 176.000 -0.052 0.000 0.975 159 Q CA 3.227 59.058 55.803 0.047 0.000 0.866 159 Q CB -0.537 28.221 28.738 0.034 0.000 0.915 159 Q HN -0.286 8.019 8.270 0.112 0.032 0.440 160 R N -0.481 119.917 120.500 -0.171 0.000 2.148 160 R HA -0.203 nan 4.340 nan 0.000 0.227 160 R C 0.785 176.946 176.300 -0.231 0.000 1.103 160 R CA 2.842 58.778 56.100 -0.273 0.000 0.983 160 R CB 0.145 30.211 30.300 -0.391 0.000 0.874 160 R HN -0.400 7.710 8.270 -0.227 0.024 0.451 161 L N -4.216 116.994 121.223 -0.022 0.000 2.741 161 L HA 0.025 nan 4.340 nan 0.000 0.237 161 L C -0.959 176.144 176.870 0.388 0.000 1.178 161 L CA -0.769 54.264 54.840 0.323 0.000 0.973 161 L CB -0.553 41.729 42.059 0.372 0.000 1.255 161 L HN -0.640 7.413 8.230 -0.054 0.144 0.498 162 N N -0.890 117.935 118.700 0.209 0.000 2.721 162 N HA -0.352 nan 4.740 nan 0.000 0.249 162 N C -1.463 174.147 175.510 0.167 0.000 1.072 162 N CA 1.372 54.527 53.050 0.175 0.000 0.710 162 N CB -0.667 37.965 38.487 0.242 0.000 0.993 162 N HN -0.310 7.918 8.380 0.072 0.195 0.547 163 M N -2.878 116.838 119.600 0.193 0.000 2.238 163 M HA 0.229 nan 4.480 nan 0.000 0.350 163 M C -0.494 175.879 176.300 0.122 0.000 1.138 163 M CA -1.861 53.532 55.300 0.156 0.000 1.040 163 M CB 0.730 33.446 32.600 0.193 0.000 1.639 163 M HN -0.412 7.989 8.290 0.225 0.023 0.451 164 N N 3.577 122.326 118.700 0.080 0.000 2.448 164 N HA 0.151 nan 4.740 nan 0.000 0.274 164 N C -0.005 175.558 175.510 0.088 0.000 1.239 164 N CA -1.123 51.974 53.050 0.079 0.000 0.982 164 N CB 0.937 39.459 38.487 0.059 0.000 1.199 164 N HN 0.601 9.374 8.380 0.066 -0.354 0.576 165 D N -0.623 119.846 120.400 0.115 0.000 2.123 165 D HA -0.326 nan 4.640 nan 0.000 0.196 165 D C 2.529 178.909 176.300 0.133 0.000 0.992 165 D CA 4.386 58.512 54.000 0.210 0.000 0.833 165 D CB -0.398 40.514 40.800 0.187 0.000 0.954 165 D HN 0.417 8.840 8.370 0.088 0.000 0.455 166 R N -0.344 120.204 120.500 0.079 0.000 2.073 166 R HA -0.339 nan 4.340 nan 0.000 0.234 166 R C 2.402 178.762 176.300 0.099 0.000 1.134 166 R CA 3.374 59.521 56.100 0.078 0.000 0.952 166 R CB -0.282 30.068 30.300 0.084 0.000 0.850 166 R HN -0.524 7.860 8.270 0.069 -0.072 0.433 167 E N -0.136 120.095 120.200 0.052 0.000 2.077 167 E HA -0.324 nan 4.350 nan 0.000 0.193 167 E C 2.576 179.120 176.600 -0.095 0.000 0.989 167 E CA 3.194 59.599 56.400 0.009 0.000 0.800 167 E CB -0.202 29.498 29.700 -0.000 0.000 0.746 167 E HN -0.346 8.356 8.360 0.050 -0.312 0.452 168 V N 0.577 120.375 119.914 -0.194 0.000 2.295 168 V HA -0.343 nan 4.120 nan 0.000 0.246 168 V C 2.061 177.962 176.094 -0.322 0.000 1.049 168 V CA 4.676 66.692 62.300 -0.473 0.000 1.024 168 V CB -0.884 30.670 31.823 -0.450 0.000 0.648 168 V HN 0.012 8.139 8.190 -0.105 0.000 0.447 169 V N -1.064 118.755 119.914 -0.158 0.000 2.427 169 V HA -0.429 nan 4.120 nan 0.000 0.248 169 V C 1.728 177.957 176.094 0.225 0.000 1.051 169 V CA 4.154 66.424 62.300 -0.050 0.000 1.048 169 V CB -1.325 30.468 31.823 -0.050 0.000 0.666 169 V HN -0.132 8.000 8.190 -0.098 0.000 0.456 170 A N -0.587 122.433 122.820 0.334 0.000 1.858 170 A HA -0.250 nan 4.320 nan 0.000 0.216 170 A C 2.328 180.176 177.584 0.440 0.000 1.190 170 A CA 3.111 55.411 52.037 0.439 0.000 0.617 170 A CB -0.636 18.550 19.000 0.310 0.000 0.827 170 A HN -0.068 8.239 8.150 0.263 0.000 0.443 171 L N -0.971 120.343 121.223 0.152 0.000 2.013 171 L HA -0.311 nan 4.340 nan 0.000 0.212 171 L C 2.432 179.276 176.870 -0.043 0.000 1.073 171 L CA 2.557 57.429 54.840 0.053 0.000 0.753 171 L CB -0.715 41.218 42.059 -0.210 0.000 0.890 171 L HN 0.179 8.432 8.230 0.038 0.000 0.432 172 M N -1.550 117.939 119.600 -0.186 0.000 2.435 172 M HA -0.245 nan 4.480 nan 0.000 0.262 172 M C 2.392 178.458 176.300 -0.390 0.000 1.065 172 M CA 1.887 56.978 55.300 -0.348 0.000 1.076 172 M CB -0.729 31.699 32.600 -0.288 0.000 1.403 172 M HN 0.033 8.215 8.290 -0.180 0.000 0.454 173 G N -2.088 106.585 108.800 -0.212 0.000 2.498 173 G HA2 -0.271 nan 3.960 nan 0.000 0.219 173 G HA3 -0.271 nan 3.960 nan 0.000 0.219 173 G C 0.348 174.936 174.900 -0.519 0.000 1.119 173 G CA 1.458 46.233 45.100 -0.540 0.000 0.766 173 G HN -0.245 7.953 8.290 0.092 0.147 0.552 174 A N 1.809 124.404 122.820 -0.376 0.000 2.067 174 A HA -0.195 nan 4.320 nan 0.000 0.219 174 A C 1.280 178.581 177.584 -0.472 0.000 1.158 174 A CA 2.021 53.813 52.037 -0.407 0.000 0.661 174 A CB -0.568 18.330 19.000 -0.171 0.000 0.801 174 A HN -0.239 7.750 8.150 -0.197 0.044 0.452 175 H N -1.674 116.959 119.070 -0.729 0.000 2.567 175 H HA -0.245 nan 4.556 nan 0.000 0.276 175 H C 0.150 174.826 175.328 -1.086 0.000 1.016 175 H CA 0.419 55.693 56.048 -1.292 0.000 1.186 175 H CB -0.355 28.362 29.762 -1.741 0.000 1.351 175 H HN -0.428 7.301 8.280 -0.687 0.140 0.605 176 A N -2.327 120.139 122.820 -0.590 0.000 2.172 176 A HA -0.155 nan 4.320 nan 0.000 0.216 176 A C -0.029 177.425 177.584 -0.217 0.000 1.154 176 A CA 0.840 52.650 52.037 -0.379 0.000 0.701 176 A CB 0.239 18.975 19.000 -0.441 0.000 0.789 176 A HN -0.657 7.073 8.150 -0.634 0.040 0.465 177 L N -2.344 118.746 121.223 -0.220 0.000 2.357 177 L HA 0.010 nan 4.340 nan 0.000 0.273 177 L C 0.703 177.634 176.870 0.102 0.000 1.080 177 L CA -0.274 54.530 54.840 -0.060 0.000 0.803 177 L CB 0.569 42.592 42.059 -0.060 0.000 1.174 177 L HN -0.579 7.279 8.230 -0.336 0.171 0.443 178 G N 3.042 111.923 108.800 0.134 0.000 2.582 178 G HA2 -0.354 nan 3.960 nan 0.000 0.288 178 G HA3 -0.354 nan 3.960 nan 0.000 0.288 178 G C -2.628 172.416 174.900 0.240 0.000 1.247 178 G CA 0.928 46.140 45.100 0.187 0.000 0.972 178 G HN 0.837 9.061 8.290 0.085 0.117 0.557 179 K N -2.198 118.318 120.400 0.194 0.000 2.658 179 K HA 0.435 nan 4.320 nan 0.000 0.293 179 K C -1.984 174.391 176.600 -0.375 0.000 1.026 179 K CA -1.525 54.669 56.287 -0.154 0.000 0.871 179 K CB 2.765 35.091 32.500 -0.289 0.000 1.524 179 K HN -0.360 8.046 8.250 0.260 0.000 0.400 180 T N -2.813 111.364 114.554 -0.628 0.000 2.922 180 T HA 0.429 nan 4.350 nan 0.000 0.285 180 T C -0.292 174.126 174.700 -0.471 0.000 1.005 180 T CA -1.484 60.380 62.100 -0.393 0.000 1.061 180 T CB 1.113 69.788 68.868 -0.321 0.000 1.007 180 T HN 0.462 8.223 8.240 -0.799 0.000 0.502 181 H N 2.287 121.344 119.070 -0.022 0.000 2.727 181 H HA 0.421 nan 4.556 nan 0.000 0.330 181 H C 0.034 175.358 175.328 -0.006 0.000 0.986 181 H CA -0.929 55.106 56.048 -0.022 0.000 1.251 181 H CB 1.434 31.188 29.762 -0.014 0.000 1.493 181 H HN 0.420 8.764 8.280 0.107 0.000 0.515 182 L N 5.834 127.087 121.223 0.050 0.000 2.043 182 L HA -0.415 nan 4.340 nan 0.000 0.212 182 L C 0.868 177.751 176.870 0.021 0.000 1.075 182 L CA 3.928 58.775 54.840 0.010 0.000 0.752 182 L CB 0.222 42.268 42.059 -0.023 0.000 0.891 182 L HN 0.133 8.688 8.230 0.016 -0.315 0.432 183 K N -2.684 117.740 120.400 0.040 0.000 2.362 183 K HA -0.290 nan 4.320 nan 0.000 0.200 183 K C 1.133 177.757 176.600 0.040 0.000 1.046 183 K CA 2.547 58.851 56.287 0.028 0.000 0.952 183 K CB -0.486 32.027 32.500 0.022 0.000 0.753 183 K HN 0.227 8.508 8.250 0.052 0.000 0.466 184 N N -2.194 116.551 118.700 0.075 0.000 2.278 184 N HA -0.006 nan 4.740 nan 0.000 0.181 184 N C 0.753 176.321 175.510 0.098 0.000 1.023 184 N CA 2.265 55.361 53.050 0.078 0.000 0.862 184 N CB 0.820 39.366 38.487 0.099 0.000 1.003 184 N HN -0.253 8.052 8.380 0.111 0.142 0.431 185 S N -4.198 111.579 115.700 0.129 0.000 2.632 185 S HA 0.145 nan 4.470 nan 0.000 0.237 185 S C 0.589 175.249 174.600 0.099 0.000 1.037 185 S CA 0.045 58.350 58.200 0.176 0.000 1.009 185 S CB 2.967 66.348 63.200 0.301 0.000 0.974 185 S HN -0.396 7.994 8.310 0.133 0.000 0.544 186 G N 1.872 110.657 108.800 -0.025 0.000 2.137 186 G HA2 -0.376 nan 3.960 nan 0.000 0.237 186 G HA3 -0.376 nan 3.960 nan 0.000 0.237 186 G C -1.810 172.772 174.900 -0.530 0.000 1.002 186 G CA 0.814 45.772 45.100 -0.237 0.000 0.702 186 G HN -0.151 8.148 8.290 0.016 0.000 0.515 187 Y N -3.354 116.923 120.300 -0.039 0.000 2.524 187 Y HA 0.265 nan 4.550 nan 0.000 0.347 187 Y C -1.648 174.178 175.900 -0.123 0.000 1.005 187 Y CA -1.939 56.112 58.100 -0.082 0.000 1.025 187 Y CB 3.314 41.717 38.460 -0.095 0.000 1.275 187 Y HN -0.881 7.396 8.280 0.061 0.039 0.460 188 E N 1.783 121.980 120.200 -0.005 0.000 2.275 188 E HA 0.352 nan 4.350 nan 0.000 0.270 188 E C -1.298 175.213 176.600 -0.149 0.000 0.882 188 E CA -1.550 54.793 56.400 -0.095 0.000 0.758 188 E CB 2.794 32.450 29.700 -0.073 0.000 1.195 188 E HN 0.230 8.924 8.360 0.030 -0.315 0.419 189 G N 4.165 112.824 108.800 -0.234 0.000 2.362 189 G HA2 -0.143 nan 3.960 nan 0.000 0.656 189 G HA3 -0.143 nan 3.960 nan 0.000 0.656 189 G C -3.344 171.335 174.900 -0.369 0.000 1.376 189 G CA -0.598 44.365 45.100 -0.228 0.000 0.971 189 G HN -0.282 7.839 8.290 -0.282 0.000 0.636 190 P HA 0.522 nan 4.420 nan 0.000 0.282 190 P C -0.066 177.146 177.300 -0.147 0.000 1.259 190 P CA -1.279 61.710 63.100 -0.186 0.000 0.826 190 P CB 1.327 33.017 31.700 -0.016 0.000 1.064 191 W N -0.803 120.442 121.300 -0.091 0.000 3.003 191 W HA 0.058 nan 4.660 nan 0.000 0.257 191 W C -0.488 175.843 176.519 -0.314 0.000 1.308 191 W CA 1.159 58.440 57.345 -0.108 0.000 1.529 191 W CB 0.865 30.234 29.460 -0.153 0.000 1.115 191 W HN 0.509 8.936 8.180 0.411 0.000 0.659 192 G N -5.347 103.275 108.800 -0.297 0.000 2.554 192 G HA2 0.162 nan 3.960 nan 0.000 0.306 192 G HA3 0.162 nan 3.960 nan 0.000 0.306 192 G C -2.013 172.599 174.900 -0.480 0.000 1.320 192 G CA -0.199 44.403 45.100 -0.829 0.000 0.800 192 G HN -0.916 7.268 8.290 -0.084 0.055 0.481 193 A N -1.245 121.399 122.820 -0.294 0.000 1.984 193 A HA 0.088 nan 4.320 nan 0.000 0.214 193 A C 0.698 178.284 177.584 0.004 0.000 1.173 193 A CA 1.356 53.404 52.037 0.018 0.000 0.673 193 A CB 1.092 20.166 19.000 0.123 0.000 0.830 193 A HN 0.232 8.557 8.150 -0.376 -0.401 0.453 194 A N -0.764 122.035 122.820 -0.034 0.000 3.078 194 A HA 0.182 nan 4.320 nan 0.000 0.279 194 A C -0.534 177.041 177.584 -0.015 0.000 1.594 194 A CA -1.050 50.980 52.037 -0.012 0.000 1.301 194 A CB -1.698 17.292 19.000 -0.016 0.000 1.162 194 A HN -0.428 7.957 8.150 -0.079 -0.283 0.585 195 N N 0.128 118.835 118.700 0.011 0.000 2.521 195 N HA -0.208 nan 4.740 nan 0.000 0.188 195 N C -0.789 174.742 175.510 0.035 0.000 1.146 195 N CA 1.732 54.798 53.050 0.026 0.000 0.893 195 N CB -0.050 38.469 38.487 0.054 0.000 0.975 195 N HN -0.305 8.045 8.380 0.021 0.043 0.451 196 N N -3.301 115.422 118.700 0.040 0.000 2.451 196 N HA 0.126 nan 4.740 nan 0.000 0.271 196 N C -1.570 173.974 175.510 0.057 0.000 1.410 196 N CA -1.162 51.919 53.050 0.051 0.000 0.884 196 N CB -0.035 38.491 38.487 0.065 0.000 1.332 196 N HN -0.233 8.170 8.380 0.039 0.000 0.498 197 V N 0.541 120.483 119.914 0.046 0.000 2.531 197 V HA 0.233 nan 4.120 nan 0.000 0.301 197 V C -1.683 174.455 176.094 0.074 0.000 1.034 197 V CA -0.794 61.551 62.300 0.075 0.000 0.865 197 V CB 1.610 33.474 31.823 0.068 0.000 0.995 197 V HN -0.864 7.338 8.190 0.020 0.000 0.424 198 F N 9.525 129.458 119.950 -0.029 0.000 2.471 198 F HA 0.126 nan 4.527 nan 0.000 0.365 198 F C -1.069 174.789 175.800 0.097 0.000 1.095 198 F CA 1.080 59.030 58.000 -0.083 0.000 1.174 198 F CB 0.546 39.391 39.000 -0.257 0.000 1.105 198 F HN 0.585 8.929 8.300 0.245 0.103 0.535 199 T N 3.026 117.475 114.554 -0.175 0.000 2.787 199 T HA 0.194 nan 4.350 nan 0.000 0.297 199 T C -1.148 173.595 174.700 0.072 0.000 1.221 199 T CA -1.811 60.370 62.100 0.136 0.000 1.006 199 T CB 2.661 71.559 68.868 0.049 0.000 1.328 199 T HN -0.159 7.752 8.240 -0.548 0.000 0.509 200 N N -1.826 116.961 118.700 0.145 0.000 2.362 200 N HA -0.006 nan 4.740 nan 0.000 0.204 200 N C 0.806 176.222 175.510 -0.157 0.000 1.166 200 N CA 0.117 53.120 53.050 -0.079 0.000 0.831 200 N CB -1.331 37.222 38.487 0.110 0.000 1.008 200 N HN 0.319 8.812 8.380 0.189 0.000 0.472 201 E N 1.643 121.749 120.200 -0.157 0.000 2.160 201 E HA -0.334 nan 4.350 nan 0.000 0.195 201 E C 1.301 177.779 176.600 -0.204 0.000 0.991 201 E CA 3.031 59.348 56.400 -0.138 0.000 0.810 201 E CB -0.213 29.409 29.700 -0.130 0.000 0.742 201 E HN -0.324 7.870 8.360 -0.126 0.090 0.466 202 G N -1.414 107.152 108.800 -0.390 0.000 2.476 202 G HA2 -0.306 nan 3.960 nan 0.000 0.218 202 G HA3 -0.306 nan 3.960 nan 0.000 0.218 202 G C 1.482 176.167 174.900 -0.358 0.000 1.164 202 G CA 2.275 47.104 45.100 -0.452 0.000 0.768 202 G HN 0.290 8.292 8.290 -0.460 0.013 0.560 203 Y N 1.544 121.726 120.300 -0.198 0.000 2.200 203 Y HA -0.232 nan 4.550 nan 0.000 0.290 203 Y C 2.257 178.122 175.900 -0.058 0.000 1.137 203 Y CA 2.291 60.304 58.100 -0.145 0.000 1.163 203 Y CB -0.483 37.868 38.460 -0.181 0.000 0.988 203 Y HN -0.705 7.159 8.280 -0.693 0.000 0.518 204 L N -1.320 119.958 121.223 0.092 0.000 2.012 204 L HA -0.571 nan 4.340 nan 0.000 0.210 204 L C 2.186 179.122 176.870 0.110 0.000 1.073 204 L CA 3.149 58.036 54.840 0.078 0.000 0.748 204 L CB -0.653 41.434 42.059 0.047 0.000 0.891 204 L HN -0.645 7.620 8.230 0.058 0.000 0.431 205 N N -0.790 117.986 118.700 0.127 0.000 2.120 205 N HA -0.279 nan 4.740 nan 0.000 0.188 205 N C 2.494 178.290 175.510 0.477 0.000 1.024 205 N CA 2.886 56.100 53.050 0.274 0.000 0.852 205 N CB -0.529 38.135 38.487 0.295 0.000 1.003 205 N HN -0.169 8.245 8.380 0.057 0.000 0.424 206 L N 0.368 121.790 121.223 0.332 0.000 2.012 206 L HA -0.257 nan 4.340 nan 0.000 0.210 206 L C 2.351 179.392 176.870 0.286 0.000 1.073 206 L CA 3.225 58.231 54.840 0.277 0.000 0.748 206 L CB -0.214 41.854 42.059 0.014 0.000 0.891 206 L HN -0.158 8.180 8.230 0.180 0.000 0.431 207 L N -2.624 118.701 121.223 0.170 0.000 2.179 207 L HA -0.304 nan 4.340 nan 0.000 0.208 207 L C 1.468 178.409 176.870 0.118 0.000 1.096 207 L CA 2.534 57.441 54.840 0.111 0.000 0.779 207 L CB -0.188 41.907 42.059 0.061 0.000 0.922 207 L HN -0.143 8.176 8.230 0.147 0.000 0.443 208 N N -4.137 114.640 118.700 0.128 0.000 2.368 208 N HA 0.024 nan 4.740 nan 0.000 0.178 208 N C -0.006 175.509 175.510 0.009 0.000 1.076 208 N CA 0.255 53.345 53.050 0.067 0.000 0.889 208 N CB 1.339 39.858 38.487 0.054 0.000 1.040 208 N HN -0.320 8.158 8.380 0.163 0.000 0.463 209 E N 0.210 120.395 120.200 -0.025 0.000 2.374 209 E HA -0.011 nan 4.350 nan 0.000 0.260 209 E C -0.757 175.569 176.600 -0.457 0.000 1.101 209 E CA -0.079 56.100 56.400 -0.368 0.000 0.907 209 E CB 0.829 30.034 29.700 -0.826 0.000 1.014 209 E HN -0.442 8.008 8.360 0.151 0.000 0.427 210 D N 2.305 122.444 120.400 -0.434 0.000 2.411 210 D HA 0.045 nan 4.640 nan 0.000 0.225 210 D C -1.001 175.149 176.300 -0.250 0.000 1.156 210 D CA -1.023 52.843 54.000 -0.223 0.000 0.874 210 D CB -0.188 40.540 40.800 -0.121 0.000 1.034 210 D HN 0.131 8.255 8.370 -0.411 0.000 0.502 211 W N 2.144 123.557 121.300 0.188 0.000 2.313 211 W HA 0.174 nan 4.660 nan 0.000 0.328 211 W C -0.298 176.428 176.519 0.344 0.000 1.197 211 W CA -0.959 56.552 57.345 0.278 0.000 1.235 211 W CB 1.448 31.097 29.460 0.315 0.000 1.158 211 W HN -0.237 8.080 8.180 0.230 0.000 0.578 212 K N 0.671 121.388 120.400 0.528 0.000 2.471 212 K HA 0.293 nan 4.320 nan 0.000 0.252 212 K C -1.508 175.070 176.600 -0.038 0.000 0.938 212 K CA -1.340 55.092 56.287 0.241 0.000 0.796 212 K CB 3.341 35.895 32.500 0.090 0.000 1.161 212 K HN 0.714 9.183 8.250 0.550 0.111 0.425 213 L N 5.524 126.441 121.223 -0.510 0.000 2.407 213 L HA 0.100 nan 4.340 nan 0.000 0.282 213 L C -0.709 175.885 176.870 -0.459 0.000 1.110 213 L CA 0.230 54.478 54.840 -0.986 0.000 0.863 213 L CB -0.100 41.191 42.059 -1.280 0.000 1.207 213 L HN 0.419 8.437 8.230 -0.353 0.000 0.454 214 E N 7.022 127.021 120.200 -0.335 0.000 2.339 214 E HA 0.397 nan 4.350 nan 0.000 0.262 214 E C -2.258 174.243 176.600 -0.166 0.000 0.934 214 E CA -2.062 54.223 56.400 -0.192 0.000 0.802 214 E CB 3.620 33.254 29.700 -0.110 0.000 1.275 214 E HN 0.623 8.765 8.360 -0.363 0.000 0.427 215 K N 0.547 120.875 120.400 -0.121 0.000 2.235 215 K HA 0.321 nan 4.320 nan 0.000 0.266 215 K C -0.947 175.598 176.600 -0.091 0.000 0.980 215 K CA -1.100 55.123 56.287 -0.107 0.000 0.849 215 K CB 1.282 33.724 32.500 -0.097 0.000 1.098 215 K HN 0.034 8.220 8.250 -0.107 0.000 0.445 216 N N 7.142 125.784 118.700 -0.098 0.000 2.405 216 N HA 0.100 nan 4.740 nan 0.000 0.269 216 N C 0.708 176.162 175.510 -0.094 0.000 1.249 216 N CA -0.801 52.194 53.050 -0.091 0.000 0.974 216 N CB 0.641 39.068 38.487 -0.099 0.000 1.204 216 N HN 0.552 8.866 8.380 -0.110 0.000 0.565 217 D N -1.456 118.895 120.400 -0.082 0.000 2.351 217 D HA -0.184 nan 4.640 nan 0.000 0.216 217 D C -0.028 176.222 176.300 -0.084 0.000 0.968 217 D CA 2.693 56.649 54.000 -0.073 0.000 0.899 217 D CB -0.722 40.043 40.800 -0.058 0.000 0.907 217 D HN 0.527 8.851 8.370 -0.076 0.000 0.514 218 A N -2.137 120.614 122.820 -0.116 0.000 2.379 218 A HA 0.040 nan 4.320 nan 0.000 0.236 218 A C -0.231 177.272 177.584 -0.135 0.000 1.272 218 A CA -0.542 51.419 52.037 -0.127 0.000 0.886 218 A CB 0.150 19.049 19.000 -0.168 0.000 0.962 218 A HN -0.309 7.990 8.150 -0.137 -0.231 0.504 219 N N -3.240 115.386 118.700 -0.122 0.000 2.776 219 N HA -0.466 nan 4.740 nan 0.000 0.250 219 N C -1.725 173.709 175.510 -0.127 0.000 1.112 219 N CA 1.155 54.141 53.050 -0.107 0.000 0.733 219 N CB -0.831 37.607 38.487 -0.081 0.000 1.097 219 N HN 0.172 8.287 8.380 -0.114 0.197 0.558 220 N N -0.854 117.737 118.700 -0.181 0.000 2.417 220 N HA 0.213 nan 4.740 nan 0.000 0.300 220 N C -1.426 174.008 175.510 -0.127 0.000 1.102 220 N CA -0.424 52.507 53.050 -0.199 0.000 0.886 220 N CB 2.482 40.692 38.487 -0.463 0.000 1.203 220 N HN -0.536 7.946 8.380 -0.205 -0.225 0.496 221 E N 1.261 121.426 120.200 -0.059 0.000 2.343 221 E HA 0.226 nan 4.350 nan 0.000 0.269 221 E C -0.813 175.798 176.600 0.019 0.000 1.047 221 E CA 0.175 56.528 56.400 -0.078 0.000 0.874 221 E CB 1.124 30.746 29.700 -0.130 0.000 1.033 221 E HN 0.358 8.696 8.360 -0.036 0.000 0.409 222 Q N -1.663 118.087 119.800 -0.083 0.000 2.482 222 Q HA 0.466 nan 4.340 nan 0.000 0.286 222 Q C -1.654 174.242 176.000 -0.173 0.000 1.007 222 Q CA -1.916 53.872 55.803 -0.025 0.000 0.801 222 Q CB 2.823 31.639 28.738 0.129 0.000 1.455 222 Q HN 0.646 8.818 8.270 -0.163 0.000 0.398 223 W N 0.153 121.417 121.300 -0.060 0.000 2.335 223 W HA 0.099 nan 4.660 nan 0.000 0.306 223 W C -0.664 175.981 176.519 0.209 0.000 1.216 223 W CA 0.164 57.501 57.345 -0.015 0.000 1.237 223 W CB 0.681 29.999 29.460 -0.237 0.000 1.243 223 W HN 0.307 8.653 8.180 0.277 0.000 0.493 224 D N 4.483 125.161 120.400 0.463 0.000 2.248 224 D HA 0.756 nan 4.640 nan 0.000 0.246 224 D C -1.041 175.463 176.300 0.339 0.000 1.027 224 D CA -0.991 53.244 54.000 0.391 0.000 0.853 224 D CB 3.471 44.358 40.800 0.146 0.000 1.243 224 D HN 0.586 9.153 8.370 0.327 0.000 0.462 225 S N 0.885 116.650 115.700 0.108 0.000 2.621 225 S HA 0.601 nan 4.470 nan 0.000 0.302 225 S C 1.250 175.717 174.600 -0.222 0.000 1.093 225 S CA -2.073 55.954 58.200 -0.288 0.000 1.017 225 S CB 2.488 65.237 63.200 -0.752 0.000 1.077 225 S HN 0.456 8.886 8.310 0.200 0.000 0.517 226 K N 3.544 123.798 120.400 -0.243 0.000 2.209 226 K HA -0.210 nan 4.320 nan 0.000 0.204 226 K C 0.943 177.392 176.600 -0.251 0.000 1.048 226 K CA 2.769 58.939 56.287 -0.195 0.000 0.940 226 K CB -0.153 32.250 32.500 -0.161 0.000 0.729 226 K HN 0.849 8.940 8.250 -0.266 0.000 0.451 227 S N -3.466 111.996 115.700 -0.397 0.000 2.603 227 S HA -0.066 nan 4.470 nan 0.000 0.229 227 S C 0.657 174.909 174.600 -0.579 0.000 0.972 227 S CA 0.605 58.478 58.200 -0.546 0.000 0.935 227 S CB 0.157 62.813 63.200 -0.906 0.000 0.769 227 S HN -0.435 7.595 8.310 -0.437 0.018 0.536 228 G N -0.266 108.309 108.800 -0.375 0.000 2.141 228 G HA2 -0.322 nan 3.960 nan 0.000 0.231 228 G HA3 -0.322 nan 3.960 nan 0.000 0.231 228 G C -0.727 174.169 174.900 -0.006 0.000 0.984 228 G CA 0.254 45.246 45.100 -0.180 0.000 0.660 228 G HN -0.311 7.624 8.290 -0.304 0.173 0.525 229 Y N -1.160 119.168 120.300 0.047 0.000 2.403 229 Y HA 0.345 nan 4.550 nan 0.000 0.323 229 Y C -1.458 174.625 175.900 0.305 0.000 1.226 229 Y CA -3.063 55.129 58.100 0.153 0.000 1.235 229 Y CB 1.294 39.913 38.460 0.266 0.000 1.248 229 Y HN -0.770 7.344 8.280 -0.277 0.000 0.489 230 M N -1.794 118.033 119.600 0.379 0.000 2.631 230 M HA 0.729 nan 4.480 nan 0.000 0.288 230 M C -1.676 174.589 176.300 -0.057 0.000 1.260 230 M CA -1.555 53.877 55.300 0.219 0.000 0.842 230 M CB 4.155 36.738 32.600 -0.027 0.000 1.743 230 M HN 0.492 8.915 8.290 0.223 0.000 0.461 231 M N -1.300 118.222 119.600 -0.130 0.000 2.393 231 M HA 0.527 nan 4.480 nan 0.000 0.299 231 M C -1.475 174.832 176.300 0.012 0.000 1.103 231 M CA -1.720 53.508 55.300 -0.120 0.000 0.910 231 M CB 3.678 36.017 32.600 -0.435 0.000 1.659 231 M HN 0.682 8.977 8.290 0.008 0.000 0.445 232 L N 2.394 123.648 121.223 0.051 0.000 2.464 232 L HA 0.134 nan 4.340 nan 0.000 0.264 232 L C -0.826 176.127 176.870 0.138 0.000 1.199 232 L CA -1.018 53.809 54.840 -0.022 0.000 0.818 232 L CB -1.119 40.886 42.059 -0.089 0.000 1.102 232 L HN 0.191 8.805 8.230 0.193 -0.268 0.473 233 P HA -0.306 nan 4.420 nan 0.000 0.216 233 P C 1.228 178.648 177.300 0.200 0.000 1.157 233 P CA 3.113 66.371 63.100 0.263 0.000 0.880 233 P CB -0.021 31.795 31.700 0.194 0.000 0.791 234 T N -6.586 108.052 114.554 0.140 0.000 2.915 234 T HA -0.267 nan 4.350 nan 0.000 0.269 234 T C 1.426 176.197 174.700 0.118 0.000 1.071 234 T CA 3.431 65.625 62.100 0.156 0.000 1.132 234 T CB -0.840 68.132 68.868 0.173 0.000 0.878 234 T HN -0.174 8.124 8.240 0.096 0.000 0.479 235 D N 1.337 121.799 120.400 0.103 0.000 2.123 235 D HA -0.129 nan 4.640 nan 0.000 0.200 235 D C 1.915 178.186 176.300 -0.049 0.000 0.976 235 D CA 2.924 56.944 54.000 0.033 0.000 0.831 235 D CB -0.183 40.660 40.800 0.071 0.000 0.974 235 D HN -0.633 7.687 8.370 0.123 0.123 0.469 236 Y N 1.695 121.872 120.300 -0.205 0.000 2.274 236 Y HA -0.370 nan 4.550 nan 0.000 0.290 236 Y C 1.706 177.476 175.900 -0.217 0.000 1.145 236 Y CA 2.964 60.827 58.100 -0.395 0.000 1.203 236 Y CB 0.180 38.198 38.460 -0.736 0.000 0.984 236 Y HN -0.091 8.251 8.280 0.103 0.000 0.533 237 S N 0.890 116.611 115.700 0.034 0.000 2.409 237 S HA -0.499 nan 4.470 nan 0.000 0.237 237 S C 1.548 176.175 174.600 0.044 0.000 1.060 237 S CA 3.777 62.021 58.200 0.074 0.000 1.052 237 S CB -0.406 62.895 63.200 0.168 0.000 0.871 237 S HN -0.210 8.173 8.310 0.128 0.004 0.465 238 L N -2.541 118.649 121.223 -0.054 0.000 2.191 238 L HA -0.254 nan 4.340 nan 0.000 0.212 238 L C 0.787 177.616 176.870 -0.069 0.000 1.103 238 L CA 2.383 57.186 54.840 -0.061 0.000 0.769 238 L CB 0.060 42.020 42.059 -0.165 0.000 0.908 238 L HN -0.675 7.350 8.230 -0.095 0.148 0.438 239 I N -8.642 111.786 120.570 -0.236 0.000 3.645 239 I HA -0.078 nan 4.170 nan 0.000 0.300 239 I C 1.165 177.150 176.117 -0.220 0.000 1.260 239 I CA 0.982 62.130 61.300 -0.254 0.000 1.365 239 I CB 0.473 38.239 38.000 -0.390 0.000 1.077 239 I HN -0.313 7.566 8.210 -0.359 0.115 0.439 240 Q N -0.021 119.656 119.800 -0.205 0.000 2.172 240 Q HA -0.198 nan 4.340 nan 0.000 0.200 240 Q C 0.533 176.526 176.000 -0.012 0.000 0.964 240 Q CA 1.894 57.649 55.803 -0.080 0.000 0.855 240 Q CB 0.577 29.315 28.738 -0.001 0.000 0.918 240 Q HN -0.523 7.497 8.270 -0.253 0.098 0.444 241 D N -0.685 119.731 120.400 0.027 0.000 2.256 241 D HA 0.312 nan 4.640 nan 0.000 0.250 241 D C -0.963 175.319 176.300 -0.029 0.000 1.093 241 D CA -2.890 51.107 54.000 -0.004 0.000 0.882 241 D CB 2.337 43.120 40.800 -0.029 0.000 1.185 241 D HN -0.584 7.825 8.370 0.065 0.000 0.437 242 P HA -0.127 nan 4.420 nan 0.000 0.217 242 P C 1.434 178.699 177.300 -0.059 0.000 1.150 242 P CA 2.162 65.233 63.100 -0.049 0.000 0.832 242 P CB 0.560 32.233 31.700 -0.046 0.000 0.787 243 K N -1.033 119.304 120.400 -0.104 0.000 2.025 243 K HA -0.256 nan 4.320 nan 0.000 0.207 243 K C 2.983 179.578 176.600 -0.007 0.000 1.049 243 K CA 3.091 59.318 56.287 -0.100 0.000 0.933 243 K CB -0.273 32.118 32.500 -0.182 0.000 0.714 243 K HN -0.649 7.620 8.250 -0.144 -0.105 0.438 244 Y N -1.467 118.794 120.300 -0.065 0.000 2.181 244 Y HA -0.287 nan 4.550 nan 0.000 0.288 244 Y C 2.283 178.113 175.900 -0.117 0.000 1.146 244 Y CA 1.014 59.063 58.100 -0.084 0.000 1.164 244 Y CB -0.561 37.864 38.460 -0.058 0.000 0.982 244 Y HN -0.440 8.074 8.280 -0.130 -0.311 0.515 245 L N -1.016 120.242 121.223 0.059 0.000 2.079 245 L HA -0.435 nan 4.340 nan 0.000 0.210 245 L C 1.808 178.633 176.870 -0.074 0.000 1.081 245 L CA 3.135 57.957 54.840 -0.031 0.000 0.752 245 L CB -0.479 41.555 42.059 -0.042 0.000 0.896 245 L HN 0.078 8.352 8.230 0.074 0.000 0.433 246 S N -0.558 115.098 115.700 -0.073 0.000 2.399 246 S HA -0.340 nan 4.470 nan 0.000 0.231 246 S C 2.268 176.759 174.600 -0.182 0.000 1.022 246 S CA 3.572 61.709 58.200 -0.105 0.000 0.983 246 S CB -0.364 62.783 63.200 -0.088 0.000 0.803 246 S HN -0.529 7.752 8.310 -0.050 0.000 0.480 247 I N 1.816 122.255 120.570 -0.220 0.000 2.333 247 I HA -0.337 nan 4.170 nan 0.000 0.246 247 I C 1.109 176.862 176.117 -0.607 0.000 1.106 247 I CA 3.554 64.589 61.300 -0.442 0.000 1.411 247 I CB -0.057 37.728 38.000 -0.358 0.000 1.082 247 I HN -0.734 7.378 8.210 -0.134 0.017 0.420 248 V N 0.988 120.672 119.914 -0.384 0.000 2.324 248 V HA -0.585 nan 4.120 nan 0.000 0.250 248 V C 1.994 177.912 176.094 -0.292 0.000 1.060 248 V CA 5.144 67.232 62.300 -0.353 0.000 1.042 248 V CB -1.234 30.520 31.823 -0.114 0.000 0.650 248 V HN 0.181 8.226 8.190 -0.242 0.000 0.450 249 K N -2.176 118.101 120.400 -0.206 0.000 2.097 249 K HA -0.362 nan 4.320 nan 0.000 0.205 249 K C 2.117 178.625 176.600 -0.154 0.000 1.050 249 K CA 3.487 59.691 56.287 -0.138 0.000 0.938 249 K CB -0.350 32.091 32.500 -0.099 0.000 0.718 249 K HN -0.024 8.114 8.250 -0.187 0.000 0.442 250 E N -0.024 120.033 120.200 -0.238 0.000 2.051 250 E HA -0.311 nan 4.350 nan 0.000 0.192 250 E C 2.318 178.851 176.600 -0.111 0.000 0.991 250 E CA 2.981 59.258 56.400 -0.204 0.000 0.799 250 E CB 0.022 29.537 29.700 -0.308 0.000 0.748 250 E HN -0.652 7.454 8.360 -0.294 0.078 0.449 251 Y N -2.807 117.334 120.300 -0.266 0.000 2.293 251 Y HA -0.210 nan 4.550 nan 0.000 0.291 251 Y C 2.689 178.459 175.900 -0.217 0.000 1.137 251 Y CA 0.273 58.177 58.100 -0.326 0.000 1.202 251 Y CB -0.564 37.352 38.460 -0.906 0.000 0.990 251 Y HN -0.210 7.707 8.280 -0.605 0.000 0.537 252 A N -0.841 121.951 122.820 -0.048 0.000 2.015 252 A HA -0.184 nan 4.320 nan 0.000 0.219 252 A C 0.960 178.560 177.584 0.027 0.000 1.163 252 A CA 2.320 54.375 52.037 0.031 0.000 0.646 252 A CB -0.495 18.521 19.000 0.026 0.000 0.806 252 A HN -0.153 7.908 8.150 -0.149 0.000 0.448 253 N N -3.851 114.857 118.700 0.012 0.000 2.230 253 N HA 0.046 nan 4.740 nan 0.000 0.202 253 N C -1.318 174.211 175.510 0.031 0.000 1.119 253 N CA 0.234 53.293 53.050 0.015 0.000 0.851 253 N CB 1.169 39.654 38.487 -0.003 0.000 0.990 253 N HN -0.669 7.586 8.380 -0.010 0.119 0.497 254 D N 0.192 120.631 120.400 0.064 0.000 2.337 254 D HA 0.225 nan 4.640 nan 0.000 0.238 254 D C -0.277 176.086 176.300 0.105 0.000 1.331 254 D CA -0.113 53.931 54.000 0.073 0.000 0.967 254 D CB 0.806 41.659 40.800 0.088 0.000 1.382 254 D HN -0.834 7.420 8.370 0.084 0.166 0.549 255 Q N 4.482 124.306 119.800 0.040 0.000 2.096 255 Q HA -0.416 nan 4.340 nan 0.000 0.204 255 Q C 1.502 177.449 176.000 -0.089 0.000 0.982 255 Q CA 3.521 59.320 55.803 -0.006 0.000 0.850 255 Q CB 0.069 28.697 28.738 -0.184 0.000 0.901 255 Q HN 0.398 8.673 8.270 0.009 0.000 0.422 256 D N -0.537 119.804 120.400 -0.099 0.000 2.104 256 D HA -0.293 nan 4.640 nan 0.000 0.194 256 D C 1.922 178.261 176.300 0.065 0.000 0.994 256 D CA 3.363 57.328 54.000 -0.059 0.000 0.830 256 D CB -0.042 40.738 40.800 -0.033 0.000 0.959 256 D HN -0.021 8.303 8.370 -0.078 0.000 0.452 257 K N -0.414 120.049 120.400 0.106 0.000 2.057 257 K HA -0.248 nan 4.320 nan 0.000 0.207 257 K C 1.929 178.623 176.600 0.156 0.000 1.049 257 K CA 2.281 58.663 56.287 0.158 0.000 0.931 257 K CB -0.449 32.175 32.500 0.207 0.000 0.714 257 K HN -0.689 7.902 8.250 0.094 -0.285 0.440 258 F N 1.173 121.094 119.950 -0.049 0.000 2.102 258 F HA -0.346 nan 4.527 nan 0.000 0.298 258 F C 1.684 177.539 175.800 0.091 0.000 1.105 258 F CA 2.435 60.230 58.000 -0.342 0.000 1.239 258 F CB -0.262 38.616 39.000 -0.204 0.000 0.991 258 F HN -0.537 7.924 8.300 0.269 0.000 0.474 259 F N -1.151 118.597 119.950 -0.337 0.000 2.134 259 F HA -0.478 nan 4.527 nan 0.000 0.299 259 F C 2.163 177.850 175.800 -0.187 0.000 1.097 259 F CA 2.967 60.756 58.000 -0.351 0.000 1.264 259 F CB -0.861 38.041 39.000 -0.165 0.000 1.001 259 F HN 0.226 8.706 8.300 0.301 0.000 0.479 260 K N -0.815 119.643 120.400 0.095 0.000 2.026 260 K HA -0.359 nan 4.320 nan 0.000 0.208 260 K C 2.390 179.008 176.600 0.031 0.000 1.048 260 K CA 3.733 60.053 56.287 0.055 0.000 0.929 260 K CB -0.366 32.175 32.500 0.069 0.000 0.713 260 K HN -0.177 8.153 8.250 0.133 0.000 0.439 261 D N -0.272 120.151 120.400 0.038 0.000 2.183 261 D HA -0.174 nan 4.640 nan 0.000 0.203 261 D C 2.276 178.598 176.300 0.038 0.000 0.969 261 D CA 2.999 57.035 54.000 0.061 0.000 0.842 261 D CB -0.231 40.656 40.800 0.144 0.000 0.957 261 D HN -0.190 8.203 8.370 0.038 0.000 0.484 262 F N 1.318 121.158 119.950 -0.183 0.000 2.102 262 F HA -0.347 nan 4.527 nan 0.000 0.298 262 F C 1.354 177.087 175.800 -0.112 0.000 1.105 262 F CA 3.242 61.133 58.000 -0.182 0.000 1.239 262 F CB 0.584 39.331 39.000 -0.422 0.000 0.991 262 F HN 0.110 8.386 8.300 -0.041 0.000 0.474 263 S N -0.552 115.132 115.700 -0.027 0.000 2.365 263 S HA -0.441 nan 4.470 nan 0.000 0.225 263 S C 2.397 176.954 174.600 -0.071 0.000 1.039 263 S CA 4.061 62.229 58.200 -0.053 0.000 1.033 263 S CB -0.414 62.770 63.200 -0.026 0.000 0.887 263 S HN -0.216 8.107 8.310 0.021 0.000 0.447 264 K N 0.192 120.557 120.400 -0.057 0.000 2.057 264 K HA -0.266 nan 4.320 nan 0.000 0.207 264 K C 2.139 178.696 176.600 -0.072 0.000 1.049 264 K CA 3.204 59.459 56.287 -0.052 0.000 0.931 264 K CB -0.096 32.389 32.500 -0.025 0.000 0.714 264 K HN -0.693 7.535 8.250 -0.037 0.000 0.440 265 A N -0.808 121.953 122.820 -0.098 0.000 2.014 265 A HA -0.098 nan 4.320 nan 0.000 0.218 265 A C 2.089 179.600 177.584 -0.120 0.000 1.163 265 A CA 2.755 54.733 52.037 -0.098 0.000 0.652 265 A CB -0.712 18.235 19.000 -0.088 0.000 0.808 265 A HN -0.321 7.768 8.150 -0.102 0.000 0.449 266 F N -0.179 119.496 119.950 -0.458 0.000 2.234 266 F HA -0.230 nan 4.527 nan 0.000 0.296 266 F C 1.256 176.944 175.800 -0.186 0.000 1.089 266 F CA 2.169 59.903 58.000 -0.444 0.000 1.343 266 F CB 0.673 39.205 39.000 -0.781 0.000 1.040 266 F HN 0.392 8.514 8.300 -0.296 0.000 0.498 267 E N 0.138 120.276 120.200 -0.104 0.000 2.072 267 E HA -0.474 nan 4.350 nan 0.000 0.191 267 E C 1.822 178.335 176.600 -0.146 0.000 0.985 267 E CA 3.317 59.641 56.400 -0.127 0.000 0.801 267 E CB -0.111 29.543 29.700 -0.077 0.000 0.750 267 E HN -0.064 8.263 8.360 -0.056 0.000 0.452 268 K N -0.662 119.670 120.400 -0.113 0.000 2.063 268 K HA -0.339 nan 4.320 nan 0.000 0.208 268 K C 2.350 178.878 176.600 -0.121 0.000 1.048 268 K CA 3.069 59.295 56.287 -0.101 0.000 0.928 268 K CB -0.064 32.400 32.500 -0.060 0.000 0.713 268 K HN -0.346 7.845 8.250 -0.097 0.000 0.442 269 L N -1.570 119.595 121.223 -0.096 0.000 2.013 269 L HA -0.303 nan 4.340 nan 0.000 0.212 269 L C 1.994 178.793 176.870 -0.117 0.000 1.073 269 L CA 2.933 57.745 54.840 -0.047 0.000 0.753 269 L CB -0.148 41.934 42.059 0.039 0.000 0.890 269 L HN -0.409 7.768 8.230 -0.089 0.000 0.432 270 L N -4.417 116.684 121.223 -0.203 0.000 2.313 270 L HA -0.231 nan 4.340 nan 0.000 0.214 270 L C 1.758 178.557 176.870 -0.118 0.000 1.119 270 L CA 2.493 57.230 54.840 -0.171 0.000 0.809 270 L CB 0.001 41.918 42.059 -0.236 0.000 0.933 270 L HN -0.620 7.450 8.230 -0.267 0.000 0.449 271 E N -2.250 117.872 120.200 -0.131 0.000 2.472 271 E HA -0.071 nan 4.350 nan 0.000 0.196 271 E C -0.042 176.439 176.600 -0.199 0.000 1.033 271 E CA 0.184 56.546 56.400 -0.064 0.000 0.886 271 E CB 0.250 29.962 29.700 0.020 0.000 0.944 271 E HN -0.290 7.848 8.360 -0.152 0.131 0.492 272 N N 0.561 119.015 118.700 -0.411 0.000 2.412 272 N HA -0.212 nan 4.740 nan 0.000 0.258 272 N C 0.224 175.126 175.510 -1.014 0.000 1.236 272 N CA 1.767 54.282 53.050 -0.893 0.000 0.882 272 N CB -0.004 37.666 38.487 -1.362 0.000 1.066 272 N HN -0.674 7.504 8.380 -0.336 0.000 0.465 273 G N 0.117 108.445 108.800 -0.787 0.000 2.176 273 G HA2 -0.365 nan 3.960 nan 0.000 0.253 273 G HA3 -0.365 nan 3.960 nan 0.000 0.253 273 G C -0.999 173.840 174.900 -0.101 0.000 0.979 273 G CA 0.606 45.591 45.100 -0.191 0.000 0.641 273 G HN 0.348 8.236 8.290 -0.670 0.000 0.530 274 I N 0.656 121.095 120.570 -0.219 0.000 2.354 274 I HA 0.205 nan 4.170 nan 0.000 0.292 274 I C -0.970 174.897 176.117 -0.416 0.000 0.989 274 I CA -1.210 59.880 61.300 -0.350 0.000 1.188 274 I CB 0.799 38.530 38.000 -0.450 0.000 1.342 274 I HN -0.536 7.468 8.210 -0.243 0.060 0.457 275 T N 8.872 123.187 114.554 -0.398 0.000 2.744 275 T HA 0.332 nan 4.350 nan 0.000 0.291 275 T C -1.186 173.275 174.700 -0.397 0.000 0.957 275 T CA -0.343 61.591 62.100 -0.276 0.000 1.002 275 T CB 0.412 69.186 68.868 -0.157 0.000 0.919 275 T HN 0.833 8.851 8.240 -0.371 0.000 0.468 276 F N 6.614 126.530 119.950 -0.056 0.000 2.391 276 F HA 0.299 nan 4.527 nan 0.000 0.359 276 F C -1.273 174.497 175.800 -0.049 0.000 1.122 276 F CA -3.223 54.740 58.000 -0.062 0.000 1.120 276 F CB 0.003 38.942 39.000 -0.102 0.000 1.142 276 F HN 0.216 8.572 8.300 0.093 0.000 0.483 277 P HA 0.001 nan 4.420 nan 0.000 0.265 277 P C 0.322 177.653 177.300 0.051 0.000 1.187 277 P CA -0.491 62.639 63.100 0.050 0.000 0.766 277 P CB 0.712 32.436 31.700 0.040 0.000 0.820 278 K N 2.515 122.931 120.400 0.028 0.000 2.280 278 K HA -0.186 nan 4.320 nan 0.000 0.202 278 K C 0.369 176.972 176.600 0.004 0.000 1.047 278 K CA 2.057 58.352 56.287 0.013 0.000 0.942 278 K CB -0.266 32.237 32.500 0.004 0.000 0.739 278 K HN 0.465 8.728 8.250 0.022 0.000 0.457 279 D N -2.787 117.621 120.400 0.012 0.000 2.328 279 D HA -0.063 nan 4.640 nan 0.000 0.226 279 D C -0.660 175.648 176.300 0.013 0.000 1.066 279 D CA -0.443 53.562 54.000 0.009 0.000 0.861 279 D CB -0.259 40.550 40.800 0.015 0.000 0.912 279 D HN -0.365 7.985 8.370 0.018 0.030 0.521 280 A N 2.321 125.153 122.820 0.019 0.000 2.406 280 A HA 0.063 nan 4.320 nan 0.000 0.243 280 A C -1.540 176.017 177.584 -0.045 0.000 1.082 280 A CA -1.007 51.041 52.037 0.018 0.000 0.786 280 A CB -0.975 18.069 19.000 0.073 0.000 1.029 280 A HN -0.230 7.765 8.150 0.026 0.170 0.495 281 P HA 0.052 nan 4.420 nan 0.000 0.272 281 P C -0.307 176.819 177.300 -0.291 0.000 1.230 281 P CA -0.537 62.481 63.100 -0.137 0.000 0.788 281 P CB 0.516 32.171 31.700 -0.076 0.000 0.949 282 S N 0.839 116.376 115.700 -0.272 0.000 2.572 282 S HA -0.009 nan 4.470 nan 0.000 0.267 282 S C -1.727 172.546 174.600 -0.545 0.000 1.361 282 S CA -0.062 57.940 58.200 -0.331 0.000 1.009 282 S CB -0.539 62.528 63.200 -0.222 0.000 0.888 282 S HN 0.019 8.223 8.310 -0.178 0.000 0.553 283 P HA -0.050 nan 4.420 nan 0.000 0.265 283 P C -1.432 175.614 177.300 -0.423 0.000 1.193 283 P CA 0.308 63.107 63.100 -0.503 0.000 0.765 283 P CB 0.458 31.959 31.700 -0.332 0.000 0.823 284 F N 3.747 123.596 119.950 -0.168 0.000 2.375 284 F HA 0.086 nan 4.527 nan 0.000 0.333 284 F C -0.106 175.481 175.800 -0.355 0.000 1.104 284 F CA -0.626 57.221 58.000 -0.255 0.000 1.149 284 F CB 1.234 40.029 39.000 -0.343 0.000 1.190 284 F HN 0.646 8.631 8.300 -0.525 0.000 0.533 285 I N 2.459 122.954 120.570 -0.125 0.000 2.359 285 I HA 0.090 nan 4.170 nan 0.000 0.284 285 I C -1.250 174.792 176.117 -0.125 0.000 1.018 285 I CA -1.584 59.642 61.300 -0.123 0.000 1.173 285 I CB -0.074 37.889 38.000 -0.062 0.000 1.326 285 I HN 0.262 8.429 8.210 -0.071 0.000 0.462 286 F N 5.893 125.876 119.950 0.056 0.000 2.389 286 F HA 0.034 nan 4.527 nan 0.000 0.337 286 F C -0.183 175.447 175.800 -0.283 0.000 1.112 286 F CA -0.906 56.971 58.000 -0.205 0.000 1.192 286 F CB 1.020 39.573 39.000 -0.745 0.000 1.185 286 F HN 0.230 8.461 8.300 -0.116 0.000 0.552 287 K N 3.374 123.753 120.400 -0.035 0.000 2.218 287 K HA 0.248 nan 4.320 nan 0.000 0.276 287 K C -0.059 176.465 176.600 -0.125 0.000 1.022 287 K CA 0.109 56.370 56.287 -0.044 0.000 0.946 287 K CB 0.402 32.919 32.500 0.029 0.000 1.000 287 K HN 0.083 8.381 8.250 0.080 0.000 0.468 288 T N -2.071 112.503 114.554 0.034 0.000 2.813 288 T HA 0.111 nan 4.350 nan 0.000 0.297 288 T C 1.386 176.184 174.700 0.163 0.000 1.036 288 T CA -0.678 61.530 62.100 0.179 0.000 1.044 288 T CB 1.279 70.239 68.868 0.154 0.000 0.993 288 T HN 0.146 8.756 8.240 0.044 -0.343 0.535 289 L N 1.116 122.454 121.223 0.192 0.000 2.042 289 L HA -0.417 nan 4.340 nan 0.000 0.210 289 L C 1.950 178.870 176.870 0.084 0.000 1.076 289 L CA 3.724 58.636 54.840 0.121 0.000 0.749 289 L CB -0.512 41.606 42.059 0.099 0.000 0.893 289 L HN -0.116 8.482 8.230 0.245 -0.221 0.432 290 E N -0.603 119.646 120.200 0.082 0.000 2.058 290 E HA -0.384 nan 4.350 nan 0.000 0.194 290 E C 2.807 179.442 176.600 0.058 0.000 0.997 290 E CA 3.088 59.527 56.400 0.065 0.000 0.801 290 E CB -0.486 29.253 29.700 0.066 0.000 0.746 290 E HN 0.148 8.565 8.360 0.095 0.000 0.450 291 E N -2.435 117.802 120.200 0.061 0.000 2.268 291 E HA -0.214 nan 4.350 nan 0.000 0.195 291 E C 1.356 177.984 176.600 0.047 0.000 0.995 291 E CA 1.810 58.240 56.400 0.050 0.000 0.836 291 E CB -0.195 29.534 29.700 0.048 0.000 0.763 291 E HN -0.411 7.992 8.360 0.072 0.000 0.491 292 Q N -3.048 116.783 119.800 0.052 0.000 2.360 292 Q HA 0.007 nan 4.340 nan 0.000 0.202 292 Q C 0.695 176.720 176.000 0.043 0.000 0.915 292 Q CA -0.251 55.580 55.803 0.048 0.000 0.943 292 Q CB 0.663 29.432 28.738 0.052 0.000 1.064 292 Q HN -0.469 7.696 8.270 0.061 0.142 0.511 293 G N -1.286 107.540 108.800 0.043 0.000 2.168 293 G HA2 -0.404 nan 3.960 nan 0.000 0.257 293 G HA3 -0.404 nan 3.960 nan 0.000 0.257 293 G C -0.563 174.360 174.900 0.038 0.000 0.997 293 G CA 0.710 45.833 45.100 0.038 0.000 0.708 293 G HN -0.425 7.706 8.290 0.047 0.187 0.520 294 L N 0.000 121.250 121.223 0.044 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.865 54.840 0.042 0.000 0.813 294 L CB 0.000 42.087 42.059 0.047 0.000 0.961 294 L HN 0.000 8.224 8.230 0.051 0.036 0.502