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 2ex0_1_B DATA FIRST_RESID 25 DATA SEQUENCE MKTITLYLDP ASLPALNQLM DFTQNNEDKT HPRIFGLSRF KIPDNIITQY DATA SEQUENCE QNIHFVELKD NRPTEALFTI LDQYPGNIEL NIHLNIAHSV QLIRPILAYR DATA SEQUENCE FKHLDRVSIQ QLNLYDDGSM EYVDLEKEEN KDISAEIKQA EKQLSHYLLT DATA SEQUENCE GKIKFDNPTI ARYVWQSAFP VKYHFLSTDY FEKAEFLQPL KEYLAENYQK DATA SEQUENCE MDWTAYQQLT PEQQAFYLTL VGFNDEVKQS LEVQQAKFIF TGTTTWEGNT DATA SEQUENCE DVREYYAQQQ LNLLNHFTQA EGDLFIGDHY KIYFKGHPRG GEINDYILNN DATA SEQUENCE AKNITNIPAN ISFEVLMMTG LLPDKVGGVA SSLYFSLPKE KISHIIFTSN DATA SEQUENCE KQVKSKEDAL NNPYVKVMRR LGIIDESQVI FWDSLKQLGG 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 25 M HA 0.000 nan 4.480 nan 0.000 0.227 25 M C 0.000 176.298 176.300 -0.004 0.000 1.140 25 M CA 0.000 55.300 55.300 0.000 0.000 0.988 25 M CB 0.000 32.598 32.600 -0.004 0.000 1.302 26 K N 0.657 121.047 120.400 -0.017 0.000 2.468 26 K HA 0.649 4.984 4.320 0.025 0.000 0.252 26 K C -1.792 174.755 176.600 -0.088 0.000 0.932 26 K CA -0.329 55.931 56.287 -0.044 0.000 0.794 26 K CB 2.702 35.182 32.500 -0.034 0.000 1.241 26 K HN 0.686 nan 8.250 nan 0.000 0.428 27 T N 4.258 118.749 114.554 -0.105 0.000 2.837 27 T HA 0.485 4.850 4.350 0.025 0.000 0.285 27 T C -0.222 174.299 174.700 -0.298 0.000 0.984 27 T CA -0.447 61.584 62.100 -0.115 0.000 1.049 27 T CB 0.443 69.333 68.868 0.037 0.000 0.947 27 T HN 0.395 nan 8.240 nan 0.000 0.472 28 I N 2.395 122.785 120.570 -0.301 0.000 2.436 28 I HA 0.311 4.496 4.170 0.025 0.000 0.289 28 I C 0.085 176.028 176.117 -0.290 0.000 1.010 28 I CA -0.746 60.293 61.300 -0.435 0.000 1.098 28 I CB 2.167 39.868 38.000 -0.498 0.000 1.266 28 I HN 0.480 nan 8.210 nan 0.000 0.434 29 T N 6.934 121.331 114.554 -0.262 0.000 2.795 29 T HA 0.600 4.965 4.350 0.025 0.000 0.282 29 T C -0.426 173.926 174.700 -0.581 0.000 0.980 29 T CA -0.398 61.497 62.100 -0.342 0.000 1.012 29 T CB 1.037 69.718 68.868 -0.312 0.000 0.936 29 T HN 0.126 nan 8.240 nan 0.000 0.457 30 L N 3.740 124.638 121.223 -0.541 0.000 2.341 30 L HA 0.481 4.836 4.340 0.025 0.000 0.278 30 L C -1.081 175.500 176.870 -0.482 0.000 1.005 30 L CA -0.618 53.931 54.840 -0.484 0.000 0.818 30 L CB 1.012 42.895 42.059 -0.293 0.000 1.259 30 L HN 0.596 nan 8.230 nan 0.000 0.418 31 Y N 4.420 124.538 120.300 -0.302 0.000 2.464 31 Y HA 0.618 5.183 4.550 0.024 0.000 0.326 31 Y C -0.481 175.365 175.900 -0.090 0.000 0.969 31 Y CA -0.638 57.331 58.100 -0.219 0.000 1.270 31 Y CB 0.969 39.188 38.460 -0.402 0.000 1.103 31 Y HN 0.320 nan 8.280 nan 0.000 0.491 32 L N 3.653 124.950 121.223 0.124 0.000 2.362 32 L HA 0.680 5.035 4.340 0.025 0.000 0.275 32 L C -1.084 175.862 176.870 0.127 0.000 0.998 32 L CA -0.690 54.207 54.840 0.096 0.000 0.820 32 L CB 2.191 44.274 42.059 0.040 0.000 1.270 32 L HN 0.465 nan 8.230 nan 0.000 0.415 33 D N 3.544 124.020 120.400 0.126 0.000 2.711 33 D HA 0.194 4.848 4.640 0.025 0.000 0.204 33 D C -2.405 173.969 176.300 0.124 0.000 1.257 33 D CA -0.719 53.365 54.000 0.141 0.000 0.808 33 D CB 2.629 43.521 40.800 0.153 0.000 1.780 33 D HN 0.130 nan 8.370 nan 0.000 0.537 34 P HA 0.210 nan 4.420 nan 0.000 0.245 34 P C 0.290 177.632 177.300 0.070 0.000 1.203 34 P CA 0.169 63.291 63.100 0.037 0.000 0.792 34 P CB 0.690 32.342 31.700 -0.080 0.000 0.997 35 A N 0.144 123.045 122.820 0.134 0.000 3.516 35 A HA 0.554 4.889 4.320 0.025 0.000 0.164 35 A C 1.730 179.429 177.584 0.192 0.000 1.887 35 A CA 0.333 52.460 52.037 0.150 0.000 0.978 35 A CB -0.331 18.785 19.000 0.194 0.000 1.863 35 A HN -0.018 nan 8.150 nan 0.000 0.697 36 S N -2.111 113.714 115.700 0.208 0.000 3.039 36 S HA 0.098 4.583 4.470 0.025 0.000 0.251 36 S C 1.721 176.467 174.600 0.243 0.000 1.064 36 S CA 0.482 58.864 58.200 0.303 0.000 0.822 36 S CB -0.467 62.862 63.200 0.214 0.000 0.802 36 S HN 0.485 nan 8.310 nan 0.000 0.519 37 L N 3.578 124.917 121.223 0.193 0.000 2.012 37 L HA 0.030 4.385 4.340 0.025 0.000 0.210 37 L C -1.429 175.475 176.870 0.056 0.000 1.073 37 L CA 2.145 57.081 54.840 0.160 0.000 0.748 37 L CB -1.460 40.733 42.059 0.224 0.000 0.891 37 L HN 0.131 nan 8.230 nan 0.000 0.431 38 P HA -0.138 nan 4.420 nan 0.000 0.215 38 P C 1.583 178.767 177.300 -0.193 0.000 1.153 38 P CA 2.014 65.096 63.100 -0.030 0.000 0.853 38 P CB -0.197 31.600 31.700 0.161 0.000 0.788 39 A N -0.530 122.252 122.820 -0.064 0.000 1.908 39 A HA -0.183 4.151 4.320 0.025 0.000 0.218 39 A C 2.208 179.571 177.584 -0.368 0.000 1.181 39 A CA 1.489 53.425 52.037 -0.169 0.000 0.627 39 A CB -1.714 17.273 19.000 -0.023 0.000 0.818 39 A HN 0.110 nan 8.150 nan 0.000 0.445 40 L N -0.290 120.753 121.223 -0.300 0.000 2.083 40 L HA -0.214 4.141 4.340 0.025 0.000 0.209 40 L C 2.371 179.156 176.870 -0.142 0.000 1.083 40 L CA 1.321 56.029 54.840 -0.220 0.000 0.752 40 L CB -0.613 41.433 42.059 -0.022 0.000 0.899 40 L HN 0.472 nan 8.230 nan 0.000 0.433 41 N N -0.395 118.118 118.700 -0.312 0.000 2.216 41 N HA -0.161 4.593 4.740 0.025 0.000 0.183 41 N C 1.849 177.055 175.510 -0.506 0.000 1.017 41 N CA 1.083 53.846 53.050 -0.478 0.000 0.861 41 N CB 0.007 37.962 38.487 -0.886 0.000 0.986 41 N HN 0.508 nan 8.380 nan 0.000 0.428 42 Q N 0.558 120.034 119.800 -0.541 0.000 2.123 42 Q HA 0.055 4.410 4.340 0.025 0.000 0.199 42 Q C 2.172 177.863 176.000 -0.515 0.000 0.966 42 Q CA 0.648 56.140 55.803 -0.518 0.000 0.845 42 Q CB 0.056 28.569 28.738 -0.375 0.000 0.907 42 Q HN 0.323 nan 8.270 nan 0.000 0.439 43 L N -0.121 120.929 121.223 -0.289 0.000 2.201 43 L HA -0.155 4.200 4.340 0.025 0.000 0.212 43 L C 2.385 179.350 176.870 0.158 0.000 1.105 43 L CA 0.525 55.329 54.840 -0.061 0.000 0.775 43 L CB -0.203 41.762 42.059 -0.156 0.000 0.913 43 L HN 0.344 nan 8.230 nan 0.000 0.440 44 M N 0.350 120.006 119.600 0.092 0.000 2.132 44 M HA -0.201 4.294 4.480 0.025 0.000 0.263 44 M C 1.684 177.936 176.300 -0.081 0.000 1.065 44 M CA 1.873 57.127 55.300 -0.077 0.000 1.122 44 M CB -0.406 32.030 32.600 -0.272 0.000 1.365 44 M HN 0.135 nan 8.290 nan 0.000 0.411 45 D N -0.836 119.495 120.400 -0.115 0.000 2.123 45 D HA -0.227 4.428 4.640 0.025 0.000 0.196 45 D C 1.787 178.106 176.300 0.032 0.000 0.992 45 D CA 1.535 55.505 54.000 -0.051 0.000 0.833 45 D CB -0.265 40.501 40.800 -0.056 0.000 0.954 45 D HN 0.405 nan 8.370 nan 0.000 0.455 46 F N 1.041 120.868 119.950 -0.205 0.000 2.102 46 F HA -0.153 4.388 4.527 0.024 0.000 0.298 46 F C 2.255 178.065 175.800 0.017 0.000 1.105 46 F CA 1.657 59.615 58.000 -0.070 0.000 1.239 46 F CB -1.045 37.907 39.000 -0.080 0.000 0.991 46 F HN -0.072 nan 8.300 nan 0.000 0.474 47 T N 0.673 115.163 114.554 -0.107 0.000 2.684 47 T HA -0.262 4.103 4.350 0.025 0.000 0.267 47 T C 1.868 176.421 174.700 -0.244 0.000 1.036 47 T CA 1.933 63.907 62.100 -0.211 0.000 1.148 47 T CB -0.411 68.528 68.868 0.118 0.000 0.863 47 T HN 0.419 nan 8.240 nan 0.000 0.436 48 Q N 0.783 120.502 119.800 -0.135 0.000 2.181 48 Q HA -0.073 4.282 4.340 0.025 0.000 0.205 48 Q C 1.321 177.251 176.000 -0.116 0.000 0.980 48 Q CA 1.284 57.016 55.803 -0.120 0.000 0.862 48 Q CB -0.223 28.469 28.738 -0.076 0.000 0.905 48 Q HN 0.576 nan 8.270 nan 0.000 0.429 49 N N 0.728 119.371 118.700 -0.095 0.000 2.235 49 N HA -0.040 4.715 4.740 0.025 0.000 0.209 49 N C 0.578 176.043 175.510 -0.075 0.000 1.122 49 N CA -0.065 52.948 53.050 -0.061 0.000 0.845 49 N CB 0.269 38.750 38.487 -0.010 0.000 1.004 49 N HN 0.254 nan 8.380 nan 0.000 0.499 50 N N 1.034 119.589 118.700 -0.243 0.000 2.571 50 N HA -0.141 4.614 4.740 0.025 0.000 0.189 50 N C 0.746 176.204 175.510 -0.086 0.000 1.154 50 N CA 0.875 53.747 53.050 -0.296 0.000 0.907 50 N CB 0.029 37.977 38.487 -0.898 0.000 0.977 50 N HN 0.364 nan 8.380 nan 0.000 0.449 51 E N -0.515 119.629 120.200 -0.092 0.000 2.435 51 E HA -0.062 4.303 4.350 0.025 0.000 0.195 51 E C -0.423 176.182 176.600 0.008 0.000 1.029 51 E CA 0.183 56.545 56.400 -0.064 0.000 0.865 51 E CB 0.045 29.698 29.700 -0.078 0.000 0.833 51 E HN 0.330 nan 8.360 nan 0.000 0.510 52 D N 1.094 121.537 120.400 0.072 0.000 2.411 52 D HA 0.008 4.662 4.640 0.025 0.000 0.225 52 D C 0.504 176.960 176.300 0.260 0.000 1.156 52 D CA -0.072 54.003 54.000 0.125 0.000 0.874 52 D CB 0.615 41.483 40.800 0.115 0.000 1.034 52 D HN -0.204 nan 8.370 nan 0.000 0.502 53 K N 1.673 122.177 120.400 0.173 0.000 2.459 53 K HA 0.005 4.340 4.320 0.025 0.000 0.193 53 K C 1.385 178.152 176.600 0.278 0.000 1.030 53 K CA 0.439 56.829 56.287 0.172 0.000 1.026 53 K CB 0.145 32.576 32.500 -0.116 0.000 0.809 53 K HN 0.482 nan 8.250 nan 0.000 0.504 54 T N -3.252 111.444 114.554 0.238 0.000 3.043 54 T HA 0.037 4.402 4.350 0.025 0.000 0.272 54 T C 0.454 175.272 174.700 0.197 0.000 0.990 54 T CA -0.481 61.740 62.100 0.201 0.000 0.897 54 T CB -0.242 68.701 68.868 0.125 0.000 1.111 54 T HN 0.126 nan 8.240 nan 0.000 0.529 55 H N 3.363 122.519 119.070 0.142 0.000 3.004 55 H HA 0.200 4.771 4.556 0.025 0.000 0.316 55 H C -2.713 172.637 175.328 0.036 0.000 1.014 55 H CA -1.230 54.862 56.048 0.073 0.000 1.454 55 H CB 0.872 30.675 29.762 0.068 0.000 1.472 55 H HN 0.101 nan 8.280 nan 0.000 0.571 56 P HA 0.086 nan 4.420 nan 0.000 0.262 56 P C -0.676 176.428 177.300 -0.327 0.000 1.199 56 P CA 0.539 63.427 63.100 -0.353 0.000 0.763 56 P CB 0.313 31.597 31.700 -0.692 0.000 0.790 57 R N 3.367 123.776 120.500 -0.151 0.000 2.628 57 R HA 0.646 5.001 4.340 0.025 0.000 0.288 57 R C -0.603 175.506 176.300 -0.317 0.000 0.980 57 R CA -0.770 55.151 56.100 -0.299 0.000 0.891 57 R CB 2.088 32.203 30.300 -0.309 0.000 1.188 57 R HN 0.417 nan 8.270 nan 0.000 0.450 58 I N 3.110 123.383 120.570 -0.496 0.000 2.439 58 I HA 0.338 4.523 4.170 0.025 0.000 0.285 58 I C -1.003 174.831 176.117 -0.471 0.000 1.021 58 I CA -0.582 60.499 61.300 -0.366 0.000 1.091 58 I CB 1.269 39.099 38.000 -0.283 0.000 1.242 58 I HN 0.382 nan 8.210 nan 0.000 0.439 59 F N 3.694 123.451 119.950 -0.321 0.000 2.404 59 F HA 0.544 5.085 4.527 0.024 0.000 0.354 59 F C 0.965 176.751 175.800 -0.023 0.000 1.122 59 F CA -0.524 57.370 58.000 -0.177 0.000 1.080 59 F CB 1.896 40.707 39.000 -0.314 0.000 1.131 59 F HN 0.469 nan 8.300 nan 0.000 0.471 60 G N 5.462 114.372 108.800 0.183 0.000 4.943 60 G HA2 0.459 4.434 3.960 0.025 0.000 0.315 60 G HA3 0.459 4.434 3.960 0.025 0.000 0.315 60 G C -0.850 174.150 174.900 0.167 0.000 1.437 60 G CA -0.316 44.872 45.100 0.146 0.000 1.027 60 G HN 0.524 nan 8.290 nan 0.000 0.567 61 L N 1.391 122.752 121.223 0.230 0.000 2.321 61 L HA 0.212 4.567 4.340 0.025 0.000 0.272 61 L C 1.452 178.441 176.870 0.197 0.000 1.050 61 L CA -0.577 54.401 54.840 0.230 0.000 0.893 61 L CB 1.321 43.545 42.059 0.275 0.000 1.272 61 L HN 0.203 nan 8.230 nan 0.000 0.435 62 S N 1.179 116.956 115.700 0.128 0.000 2.402 62 S HA -0.169 4.315 4.470 0.025 0.000 0.233 62 S C 1.746 176.348 174.600 0.003 0.000 1.030 62 S CA 1.565 59.801 58.200 0.059 0.000 1.003 62 S CB -0.151 63.066 63.200 0.028 0.000 0.813 62 S HN 0.601 nan 8.310 nan 0.000 0.477 63 R N -0.599 119.895 120.500 -0.011 0.000 2.334 63 R HA 0.258 4.613 4.340 0.025 0.000 0.216 63 R C -0.834 175.116 176.300 -0.583 0.000 0.905 63 R CA 0.126 56.059 56.100 -0.278 0.000 1.064 63 R CB 0.225 30.307 30.300 -0.363 0.000 1.046 63 R HN 0.277 nan 8.270 nan 0.000 0.508 64 F N 0.766 120.692 119.950 -0.040 0.000 2.518 64 F HA 0.337 4.878 4.527 0.025 0.000 0.323 64 F C 0.010 175.757 175.800 -0.088 0.000 1.129 64 F CA -1.043 56.914 58.000 -0.072 0.000 0.920 64 F CB 1.698 40.651 39.000 -0.078 0.000 1.160 64 F HN -0.338 nan 8.300 nan 0.000 0.440 65 K N 5.284 125.692 120.400 0.014 0.000 2.263 65 K HA 0.523 4.858 4.320 0.025 0.000 0.272 65 K C -0.759 175.778 176.600 -0.105 0.000 1.033 65 K CA -0.357 55.881 56.287 -0.082 0.000 0.884 65 K CB 0.683 33.114 32.500 -0.116 0.000 1.107 65 K HN 0.689 nan 8.250 nan 0.000 0.460 66 I N 6.775 127.239 120.570 -0.177 0.000 2.471 66 I HA 0.119 4.304 4.170 0.025 0.000 0.286 66 I C -1.889 174.112 176.117 -0.194 0.000 1.079 66 I CA -2.177 59.008 61.300 -0.191 0.000 1.398 66 I CB 0.902 38.774 38.000 -0.212 0.000 1.403 66 I HN 0.473 nan 8.210 nan 0.000 0.530 67 P HA 0.014 nan 4.420 nan 0.000 0.266 67 P C -0.070 177.179 177.300 -0.084 0.000 1.195 67 P CA 0.010 63.043 63.100 -0.113 0.000 0.768 67 P CB 0.623 32.264 31.700 -0.098 0.000 0.838 68 D N 1.696 122.050 120.400 -0.077 0.000 2.133 68 D HA -0.192 4.463 4.640 0.025 0.000 0.195 68 D C 1.374 177.679 176.300 0.008 0.000 0.997 68 D CA 1.609 55.583 54.000 -0.043 0.000 0.840 68 D CB -0.485 40.289 40.800 -0.043 0.000 0.947 68 D HN 0.510 nan 8.370 nan 0.000 0.452 69 N N 0.005 118.708 118.700 0.005 0.000 2.609 69 N HA -0.077 4.678 4.740 0.025 0.000 0.190 69 N C 1.347 176.905 175.510 0.080 0.000 1.157 69 N CA 0.521 53.591 53.050 0.034 0.000 0.918 69 N CB -0.281 38.217 38.487 0.018 0.000 0.978 69 N HN 0.322 nan 8.380 nan 0.000 0.448 70 I N -0.231 120.393 120.570 0.091 0.000 2.947 70 I HA 0.093 4.278 4.170 0.025 0.000 0.263 70 I C 1.849 178.182 176.117 0.360 0.000 1.130 70 I CA 0.107 61.531 61.300 0.206 0.000 1.448 70 I CB 0.112 38.131 38.000 0.032 0.000 1.222 70 I HN -0.003 nan 8.210 nan 0.000 0.453 71 I N 1.306 122.018 120.570 0.237 0.000 2.208 71 I HA -0.314 3.871 4.170 0.025 0.000 0.245 71 I C 2.549 178.848 176.117 0.304 0.000 1.097 71 I CA 2.132 63.612 61.300 0.300 0.000 1.363 71 I CB -0.580 37.524 38.000 0.173 0.000 1.051 71 I HN 0.372 nan 8.210 nan 0.000 0.413 72 T N -1.953 112.711 114.554 0.185 0.000 3.098 72 T HA -0.155 4.210 4.350 0.025 0.000 0.266 72 T C 1.522 176.283 174.700 0.103 0.000 1.145 72 T CA 0.793 62.969 62.100 0.127 0.000 1.092 72 T CB -0.278 68.632 68.868 0.071 0.000 0.908 72 T HN 0.461 nan 8.240 nan 0.000 0.526 73 Q N -0.371 119.507 119.800 0.130 0.000 2.451 73 Q HA 0.177 4.532 4.340 0.025 0.000 0.206 73 Q C -0.580 175.208 176.000 -0.354 0.000 0.947 73 Q CA 0.392 56.139 55.803 -0.094 0.000 0.937 73 Q CB 0.149 28.815 28.738 -0.120 0.000 1.025 73 Q HN 0.667 nan 8.270 nan 0.000 0.511 74 Y N -0.135 120.263 120.300 0.163 0.000 2.524 74 Y HA 0.332 4.897 4.550 0.025 0.000 0.344 74 Y C 0.215 176.185 175.900 0.116 0.000 1.012 74 Y CA -1.125 57.076 58.100 0.170 0.000 1.068 74 Y CB 1.385 40.005 38.460 0.266 0.000 1.249 74 Y HN -0.164 nan 8.280 nan 0.000 0.468 75 Q N 1.077 121.022 119.800 0.241 0.000 2.297 75 Q HA 0.326 4.681 4.340 0.025 0.000 0.268 75 Q C -0.356 175.731 176.000 0.146 0.000 1.045 75 Q CA -0.736 55.154 55.803 0.145 0.000 0.861 75 Q CB 1.490 30.290 28.738 0.104 0.000 1.344 75 Q HN 0.788 nan 8.270 nan 0.000 0.452 76 N N 0.231 118.976 118.700 0.075 0.000 2.735 76 N HA -0.233 4.522 4.740 0.025 0.000 0.248 76 N C -0.545 174.945 175.510 -0.034 0.000 1.083 76 N CA 0.685 53.794 53.050 0.099 0.000 0.703 76 N CB -1.286 37.340 38.487 0.232 0.000 1.005 76 N HN 0.603 nan 8.380 nan 0.000 0.550 77 I N 0.521 120.976 120.570 -0.191 0.000 2.377 77 I HA 0.289 4.474 4.170 0.025 0.000 0.293 77 I C -0.125 175.714 176.117 -0.463 0.000 0.987 77 I CA -0.561 60.639 61.300 -0.167 0.000 1.185 77 I CB 0.725 38.760 38.000 0.058 0.000 1.341 77 I HN 0.073 nan 8.210 nan 0.000 0.455 78 H N 5.780 124.737 119.070 -0.188 0.000 2.865 78 H HA 0.602 5.173 4.556 0.025 0.000 0.372 78 H C -1.568 173.447 175.328 -0.522 0.000 1.173 78 H CA -0.409 55.535 56.048 -0.174 0.000 1.147 78 H CB 1.775 31.502 29.762 -0.058 0.000 1.805 78 H HN 0.355 nan 8.280 nan 0.000 0.553 79 F N 0.396 120.475 119.950 0.216 0.000 2.556 79 F HA 0.562 5.104 4.527 0.025 0.000 0.314 79 F C -0.644 175.211 175.800 0.091 0.000 1.106 79 F CA -0.934 57.156 58.000 0.150 0.000 0.911 79 F CB 2.080 41.135 39.000 0.091 0.000 1.190 79 F HN 0.301 nan 8.300 nan 0.000 0.448 80 V N 2.582 122.617 119.914 0.202 0.000 2.925 80 V HA 0.499 4.634 4.120 0.025 0.000 0.311 80 V C -0.882 175.266 176.094 0.091 0.000 1.104 80 V CA -0.458 61.899 62.300 0.094 0.000 0.954 80 V CB 2.275 34.096 31.823 -0.003 0.000 1.022 80 V HN 0.827 nan 8.190 nan 0.000 0.427 81 E N 4.315 124.545 120.200 0.049 0.000 2.283 81 E HA 0.548 4.913 4.350 0.025 0.000 0.267 81 E C -1.169 175.438 176.600 0.011 0.000 1.045 81 E CA -0.588 55.834 56.400 0.037 0.000 0.884 81 E CB 1.807 31.521 29.700 0.023 0.000 1.106 81 E HN 0.528 nan 8.360 nan 0.000 0.408 82 L N 1.296 122.527 121.223 0.013 0.000 2.334 82 L HA 0.648 5.003 4.340 0.025 0.000 0.276 82 L C -0.049 176.817 176.870 -0.006 0.000 1.014 82 L CA -0.704 54.135 54.840 -0.000 0.000 0.815 82 L CB 1.321 43.383 42.059 0.004 0.000 1.268 82 L HN 0.511 nan 8.230 nan 0.000 0.428 83 K N 0.724 121.119 120.400 -0.009 0.000 2.535 83 K HA 0.393 4.728 4.320 0.025 0.000 0.250 83 K C -0.263 176.337 176.600 -0.000 0.000 0.948 83 K CA -0.627 55.657 56.287 -0.005 0.000 0.796 83 K CB 1.102 33.602 32.500 -0.000 0.000 1.216 83 K HN 0.737 nan 8.250 nan 0.000 0.432 84 D N 2.248 122.646 120.400 -0.003 0.000 2.772 84 D HA -0.175 4.479 4.640 0.025 0.000 0.233 84 D C -0.345 175.954 176.300 -0.001 0.000 1.143 84 D CA 1.396 55.400 54.000 0.006 0.000 0.700 84 D CB -0.788 40.029 40.800 0.029 0.000 1.076 84 D HN 0.883 nan 8.370 nan 0.000 0.430 85 N N -1.040 117.632 118.700 -0.046 0.000 2.747 85 N HA -0.253 4.502 4.740 0.025 0.000 0.249 85 N C 0.089 175.601 175.510 0.004 0.000 1.107 85 N CA 1.784 54.787 53.050 -0.078 0.000 0.707 85 N CB -0.768 37.636 38.487 -0.139 0.000 1.054 85 N HN 0.774 nan 8.380 nan 0.000 0.555 86 R N -1.671 118.836 120.500 0.011 0.000 2.643 86 R HA 0.521 4.876 4.340 0.025 0.000 0.269 86 R C -3.294 173.002 176.300 -0.007 0.000 1.037 86 R CA -1.482 54.634 56.100 0.026 0.000 0.894 86 R CB 2.051 32.386 30.300 0.058 0.000 1.238 86 R HN -0.232 nan 8.270 nan 0.000 0.459 87 P HA -0.018 nan 4.420 nan 0.000 0.269 87 P C -0.009 177.219 177.300 -0.122 0.000 1.209 87 P CA 0.080 63.136 63.100 -0.073 0.000 0.776 87 P CB 0.999 32.638 31.700 -0.102 0.000 0.876 88 T N -1.130 113.351 114.554 -0.123 0.000 2.698 88 T HA 0.090 4.455 4.350 0.025 0.000 0.295 88 T C 1.223 175.738 174.700 -0.309 0.000 1.007 88 T CA -0.338 61.676 62.100 -0.142 0.000 0.980 88 T CB 0.119 68.939 68.868 -0.080 0.000 1.036 88 T HN 0.383 nan 8.240 nan 0.000 0.526 89 E N 0.136 120.172 120.200 -0.274 0.000 2.463 89 E HA -0.034 4.331 4.350 0.025 0.000 0.201 89 E C 2.235 178.629 176.600 -0.343 0.000 1.045 89 E CA 0.595 56.734 56.400 -0.436 0.000 0.872 89 E CB -0.401 29.294 29.700 -0.008 0.000 0.797 89 E HN 0.743 nan 8.360 nan 0.000 0.538 90 A N 1.113 123.809 122.820 -0.207 0.000 2.070 90 A HA -0.161 4.173 4.320 0.025 0.000 0.220 90 A C 2.099 179.582 177.584 -0.170 0.000 1.159 90 A CA 0.749 52.718 52.037 -0.113 0.000 0.656 90 A CB -0.356 18.610 19.000 -0.055 0.000 0.800 90 A HN 0.268 nan 8.150 nan 0.000 0.453 91 L N -1.212 119.810 121.223 -0.334 0.000 2.083 91 L HA -0.107 4.248 4.340 0.025 0.000 0.209 91 L C 2.004 178.716 176.870 -0.263 0.000 1.083 91 L CA 1.984 56.619 54.840 -0.341 0.000 0.752 91 L CB -0.690 41.103 42.059 -0.443 0.000 0.899 91 L HN 0.346 nan 8.230 nan 0.000 0.433 92 F N -0.508 119.382 119.950 -0.101 0.000 2.186 92 F HA -0.094 4.447 4.527 0.025 0.000 0.299 92 F C 2.485 178.262 175.800 -0.038 0.000 1.090 92 F CA 1.350 59.304 58.000 -0.077 0.000 1.307 92 F CB -1.975 37.112 39.000 0.147 0.000 1.019 92 F HN 0.033 nan 8.300 nan 0.000 0.489 93 T N 0.844 115.479 114.554 0.134 0.000 2.788 93 T HA -0.132 4.233 4.350 0.025 0.000 0.268 93 T C 2.222 176.921 174.700 -0.003 0.000 1.044 93 T CA 1.370 63.517 62.100 0.077 0.000 1.139 93 T CB -0.453 68.447 68.868 0.055 0.000 0.867 93 T HN 0.174 nan 8.240 nan 0.000 0.454 94 I N 0.629 121.155 120.570 -0.074 0.000 2.163 94 I HA -0.094 4.090 4.170 0.025 0.000 0.240 94 I C 2.257 178.288 176.117 -0.142 0.000 1.081 94 I CA 1.170 62.358 61.300 -0.187 0.000 1.353 94 I CB -0.372 37.454 38.000 -0.290 0.000 1.054 94 I HN 0.165 nan 8.210 nan 0.000 0.407 95 L N 0.286 121.404 121.223 -0.174 0.000 2.131 95 L HA -0.235 4.120 4.340 0.025 0.000 0.210 95 L C 1.913 178.795 176.870 0.020 0.000 1.092 95 L CA 1.061 55.798 54.840 -0.171 0.000 0.759 95 L CB -0.707 40.927 42.059 -0.708 0.000 0.903 95 L HN 0.277 nan 8.230 nan 0.000 0.435 96 D N -0.120 120.310 120.400 0.050 0.000 2.309 96 D HA -0.176 4.479 4.640 0.025 0.000 0.212 96 D C 2.057 178.343 176.300 -0.023 0.000 0.968 96 D CA 0.889 54.940 54.000 0.085 0.000 0.882 96 D CB -0.053 40.811 40.800 0.107 0.000 0.918 96 D HN 0.448 nan 8.370 nan 0.000 0.503 97 Q N -0.783 118.948 119.800 -0.115 0.000 2.515 97 Q HA -0.070 4.284 4.340 0.025 0.000 0.212 97 Q C -0.206 175.436 176.000 -0.595 0.000 0.970 97 Q CA 0.475 56.075 55.803 -0.338 0.000 0.941 97 Q CB 0.204 28.678 28.738 -0.440 0.000 0.998 97 Q HN 0.387 nan 8.270 nan 0.000 0.518 98 Y N 0.950 121.214 120.300 -0.059 0.000 2.748 98 Y HA 0.280 4.845 4.550 0.025 0.000 0.359 98 Y C -2.070 173.802 175.900 -0.046 0.000 1.030 98 Y CA -2.781 55.286 58.100 -0.056 0.000 1.169 98 Y CB 0.646 39.055 38.460 -0.085 0.000 1.127 98 Y HN 0.038 nan 8.280 nan 0.000 0.644 99 P HA 0.461 nan 4.420 nan 0.000 0.274 99 P C 0.581 177.890 177.300 0.015 0.000 1.246 99 P CA 0.417 63.516 63.100 -0.001 0.000 0.795 99 P CB 1.746 33.432 31.700 -0.023 0.000 1.006 100 G N 1.084 109.881 108.800 -0.004 0.000 2.627 100 G HA2 -0.169 3.806 3.960 0.025 0.000 0.214 100 G HA3 -0.169 3.806 3.960 0.025 0.000 0.214 100 G C -0.805 174.098 174.900 0.005 0.000 1.331 100 G CA -0.754 44.348 45.100 0.002 0.000 0.891 100 G HN 0.681 nan 8.290 nan 0.000 0.539 101 N N 0.977 119.680 118.700 0.006 0.000 2.442 101 N HA 0.520 5.275 4.740 0.025 0.000 0.265 101 N C 0.442 175.954 175.510 0.002 0.000 1.138 101 N CA 0.711 53.763 53.050 0.004 0.000 0.956 101 N CB 0.732 39.220 38.487 0.001 0.000 1.067 101 N HN 0.908 nan 8.380 nan 0.000 0.474 102 I N -2.054 118.516 120.570 -0.001 0.000 2.730 102 I HA 0.551 4.736 4.170 0.025 0.000 0.298 102 I C -0.551 175.546 176.117 -0.035 0.000 1.089 102 I CA -0.892 60.392 61.300 -0.026 0.000 1.041 102 I CB 2.559 40.540 38.000 -0.031 0.000 1.235 102 I HN 0.120 nan 8.210 nan 0.000 0.423 103 E N 5.139 125.301 120.200 -0.062 0.000 2.199 103 E HA 0.588 4.952 4.350 0.025 0.000 0.269 103 E C -1.415 175.118 176.600 -0.111 0.000 0.899 103 E CA -0.890 55.468 56.400 -0.069 0.000 0.772 103 E CB 2.991 32.659 29.700 -0.053 0.000 1.155 103 E HN 0.526 nan 8.360 nan 0.000 0.408 104 L N 2.952 124.095 121.223 -0.133 0.000 2.282 104 L HA 0.363 4.718 4.340 0.025 0.000 0.288 104 L C 0.109 176.861 176.870 -0.197 0.000 1.033 104 L CA -0.768 53.965 54.840 -0.179 0.000 0.807 104 L CB 0.819 42.765 42.059 -0.189 0.000 1.209 104 L HN 0.348 nan 8.230 nan 0.000 0.423 105 N N 5.230 123.818 118.700 -0.187 0.000 2.485 105 N HA 0.416 5.171 4.740 0.025 0.000 0.243 105 N C -1.057 174.317 175.510 -0.227 0.000 0.987 105 N CA -0.300 52.639 53.050 -0.186 0.000 0.940 105 N CB 0.838 39.263 38.487 -0.104 0.000 1.122 105 N HN 0.518 nan 8.380 nan 0.000 0.509 106 I N 2.898 123.293 120.570 -0.292 0.000 2.377 106 I HA 0.224 4.409 4.170 0.025 0.000 0.293 106 I C -0.452 175.474 176.117 -0.319 0.000 0.987 106 I CA -0.791 60.347 61.300 -0.271 0.000 1.185 106 I CB 1.091 38.909 38.000 -0.302 0.000 1.341 106 I HN 0.406 nan 8.210 nan 0.000 0.455 107 H N 6.136 125.123 119.070 -0.139 0.000 2.505 107 H HA 0.709 5.279 4.556 0.024 0.000 0.338 107 H C -0.806 174.564 175.328 0.070 0.000 1.057 107 H CA -0.345 55.739 56.048 0.060 0.000 1.202 107 H CB 1.355 31.281 29.762 0.274 0.000 1.466 107 H HN 0.360 nan 8.280 nan 0.000 0.499 108 L N 1.444 122.758 121.223 0.151 0.000 2.303 108 L HA 0.400 4.755 4.340 0.025 0.000 0.256 108 L C 0.021 177.023 176.870 0.220 0.000 1.034 108 L CA -1.260 53.648 54.840 0.113 0.000 0.832 108 L CB 1.757 43.776 42.059 -0.068 0.000 1.403 108 L HN 0.558 nan 8.230 nan 0.000 0.419 109 N N 1.026 119.847 118.700 0.201 0.000 2.444 109 N HA 0.251 5.006 4.740 0.025 0.000 0.271 109 N C 0.676 176.293 175.510 0.178 0.000 1.069 109 N CA 0.013 53.206 53.050 0.238 0.000 0.965 109 N CB 1.397 40.045 38.487 0.269 0.000 1.092 109 N HN 0.617 nan 8.380 nan 0.000 0.476 110 I N 2.957 123.639 120.570 0.186 0.000 2.127 110 I HA -0.296 3.888 4.170 0.025 0.000 0.241 110 I C 2.247 178.389 176.117 0.042 0.000 1.075 110 I CA 1.411 62.795 61.300 0.140 0.000 1.334 110 I CB -0.324 37.807 38.000 0.219 0.000 1.040 110 I HN 0.665 nan 8.210 nan 0.000 0.405 111 A N -0.062 122.744 122.820 -0.024 0.000 1.940 111 A HA -0.231 4.104 4.320 0.025 0.000 0.219 111 A C 1.886 179.326 177.584 -0.241 0.000 1.176 111 A CA 1.707 53.627 52.037 -0.195 0.000 0.631 111 A CB -0.753 18.041 19.000 -0.343 0.000 0.814 111 A HN 0.508 nan 8.150 nan 0.000 0.446 112 H N -0.382 118.744 119.070 0.093 0.000 2.520 112 H HA 0.133 4.704 4.556 0.025 0.000 0.284 112 H C 2.137 177.536 175.328 0.118 0.000 1.037 112 H CA 0.697 56.804 56.048 0.098 0.000 1.168 112 H CB -0.070 29.747 29.762 0.092 0.000 1.497 112 H HN 0.708 nan 8.280 nan 0.000 0.547 113 S N 0.268 116.091 115.700 0.204 0.000 2.374 113 S HA -0.157 4.328 4.470 0.025 0.000 0.227 113 S C 2.177 176.970 174.600 0.322 0.000 1.037 113 S CA 1.349 59.659 58.200 0.183 0.000 1.024 113 S CB -0.909 62.396 63.200 0.175 0.000 0.861 113 S HN 0.117 nan 8.310 nan 0.000 0.456 114 V N 1.970 122.137 119.914 0.423 0.000 2.287 114 V HA -0.202 3.933 4.120 0.025 0.000 0.248 114 V C 2.933 179.287 176.094 0.433 0.000 1.053 114 V CA 2.245 64.828 62.300 0.472 0.000 1.027 114 V CB -1.073 30.823 31.823 0.121 0.000 0.646 114 V HN 0.426 nan 8.190 nan 0.000 0.447 115 Q N -0.275 119.707 119.800 0.304 0.000 2.083 115 Q HA -0.024 4.330 4.340 0.025 0.000 0.198 115 Q C 2.131 178.261 176.000 0.216 0.000 0.969 115 Q CA 1.410 57.371 55.803 0.263 0.000 0.838 115 Q CB -0.502 28.359 28.738 0.205 0.000 0.900 115 Q HN 0.530 nan 8.270 nan 0.000 0.436 116 L N -0.264 121.067 121.223 0.180 0.000 2.083 116 L HA -0.131 4.224 4.340 0.025 0.000 0.209 116 L C 2.155 179.075 176.870 0.083 0.000 1.083 116 L CA 1.004 55.909 54.840 0.107 0.000 0.752 116 L CB -0.269 41.842 42.059 0.086 0.000 0.899 116 L HN 0.246 nan 8.230 nan 0.000 0.433 117 I N -0.559 120.076 120.570 0.108 0.000 3.251 117 I HA -0.188 3.997 4.170 0.025 0.000 0.277 117 I C 2.639 178.841 176.117 0.141 0.000 1.268 117 I CA 0.338 61.679 61.300 0.068 0.000 1.449 117 I CB -0.083 37.908 38.000 -0.015 0.000 1.083 117 I HN 0.215 nan 8.210 nan 0.000 0.464 118 R N 1.650 122.280 120.500 0.217 0.000 2.112 118 R HA -0.201 4.154 4.340 0.025 0.000 0.242 118 R C -0.702 175.681 176.300 0.140 0.000 1.137 118 R CA 2.405 58.610 56.100 0.175 0.000 0.944 118 R CB -1.326 29.126 30.300 0.253 0.000 0.857 118 R HN 0.252 nan 8.270 nan 0.000 0.435 119 P HA -0.097 nan 4.420 nan 0.000 0.218 119 P C 1.036 178.546 177.300 0.351 0.000 1.149 119 P CA 1.258 64.524 63.100 0.278 0.000 0.817 119 P CB -0.020 31.729 31.700 0.083 0.000 0.785 120 I N -1.261 119.419 120.570 0.183 0.000 2.226 120 I HA -0.214 3.971 4.170 0.025 0.000 0.245 120 I C 2.223 178.451 176.117 0.185 0.000 1.100 120 I CA 1.337 62.729 61.300 0.153 0.000 1.374 120 I CB -0.666 37.341 38.000 0.011 0.000 1.057 120 I HN -0.096 nan 8.210 nan 0.000 0.413 121 L N 0.557 121.860 121.223 0.133 0.000 2.083 121 L HA -0.180 4.174 4.340 0.025 0.000 0.209 121 L C 2.877 179.834 176.870 0.146 0.000 1.083 121 L CA 1.194 56.108 54.840 0.123 0.000 0.752 121 L CB -0.750 41.321 42.059 0.019 0.000 0.899 121 L HN 0.246 nan 8.230 nan 0.000 0.433 122 A N -0.620 122.287 122.820 0.145 0.000 1.902 122 A HA -0.279 4.056 4.320 0.025 0.000 0.217 122 A C 2.180 179.834 177.584 0.116 0.000 1.181 122 A CA 1.479 53.584 52.037 0.113 0.000 0.623 122 A CB -0.839 18.239 19.000 0.131 0.000 0.818 122 A HN 0.423 nan 8.150 nan 0.000 0.443 123 Y N 0.263 120.594 120.300 0.052 0.000 2.200 123 Y HA -0.190 4.375 4.550 0.025 0.000 0.290 123 Y C 2.589 178.557 175.900 0.114 0.000 1.137 123 Y CA 2.146 60.264 58.100 0.030 0.000 1.163 123 Y CB -0.261 38.304 38.460 0.174 0.000 0.988 123 Y HN 0.337 nan 8.280 nan 0.000 0.518 124 R N -0.678 119.978 120.500 0.260 0.000 2.083 124 R HA -0.241 4.114 4.340 0.025 0.000 0.237 124 R C 2.242 178.592 176.300 0.084 0.000 1.137 124 R CA 1.940 58.142 56.100 0.170 0.000 0.951 124 R CB -0.906 29.498 30.300 0.173 0.000 0.851 124 R HN 0.426 nan 8.270 nan 0.000 0.434 125 F N 1.819 121.752 119.950 -0.028 0.000 2.102 125 F HA -0.179 4.363 4.527 0.025 0.000 0.298 125 F C 2.605 178.307 175.800 -0.164 0.000 1.105 125 F CA 2.823 60.782 58.000 -0.067 0.000 1.239 125 F CB -0.577 38.387 39.000 -0.060 0.000 0.991 125 F HN 0.111 nan 8.300 nan 0.000 0.474 126 K N -0.113 120.180 120.400 -0.177 0.000 2.097 126 K HA -0.159 4.176 4.320 0.025 0.000 0.206 126 K C 1.056 177.224 176.600 -0.720 0.000 1.049 126 K CA 2.142 58.128 56.287 -0.501 0.000 0.933 126 K CB -1.709 30.384 32.500 -0.678 0.000 0.717 126 K HN 0.735 nan 8.250 nan 0.000 0.442 127 H N -0.965 117.907 119.070 -0.330 0.000 2.502 127 H HA 0.332 4.903 4.556 0.025 0.000 0.268 127 H C 0.918 176.135 175.328 -0.184 0.000 1.177 127 H CA -0.590 55.291 56.048 -0.278 0.000 0.961 127 H CB 0.564 30.113 29.762 -0.356 0.000 1.737 127 H HN 0.189 nan 8.280 nan 0.000 0.569 128 L N 1.613 122.744 121.223 -0.153 0.000 2.349 128 L HA -0.162 4.193 4.340 0.025 0.000 0.220 128 L C 1.787 178.619 176.870 -0.063 0.000 1.130 128 L CA 1.582 56.356 54.840 -0.111 0.000 0.791 128 L CB -0.132 41.799 42.059 -0.214 0.000 0.918 128 L HN 0.553 nan 8.230 nan 0.000 0.444 129 D N -0.833 119.530 120.400 -0.062 0.000 2.323 129 D HA -0.169 4.485 4.640 0.025 0.000 0.209 129 D C 1.737 178.029 176.300 -0.013 0.000 0.973 129 D CA 0.942 54.919 54.000 -0.038 0.000 0.874 129 D CB 0.007 40.781 40.800 -0.044 0.000 0.930 129 D HN 0.603 nan 8.370 nan 0.000 0.521 130 R N -0.449 120.053 120.500 0.003 0.000 2.582 130 R HA 0.283 4.638 4.340 0.025 0.000 0.285 130 R C -0.432 175.880 176.300 0.020 0.000 0.940 130 R CA -0.255 55.849 56.100 0.007 0.000 1.072 130 R CB 0.646 30.945 30.300 -0.001 0.000 1.527 130 R HN -0.078 nan 8.270 nan 0.000 0.538 131 V N 2.481 122.419 119.914 0.039 0.000 2.459 131 V HA 0.519 4.654 4.120 0.025 0.000 0.295 131 V C -0.274 175.849 176.094 0.048 0.000 1.029 131 V CA -0.452 61.886 62.300 0.062 0.000 0.874 131 V CB 1.602 33.508 31.823 0.138 0.000 0.985 131 V HN 0.467 nan 8.190 nan 0.000 0.438 132 S N 5.127 120.841 115.700 0.023 0.000 2.627 132 S HA 0.723 5.208 4.470 0.025 0.000 0.283 132 S C -1.154 173.419 174.600 -0.045 0.000 1.127 132 S CA -0.903 57.308 58.200 0.018 0.000 0.863 132 S CB 2.065 65.281 63.200 0.026 0.000 1.121 132 S HN 0.332 nan 8.310 nan 0.000 0.479 133 I N 2.394 122.913 120.570 -0.085 0.000 2.304 133 I HA 0.321 4.506 4.170 0.025 0.000 0.291 133 I C 1.498 177.528 176.117 -0.145 0.000 1.018 133 I CA -0.144 61.005 61.300 -0.251 0.000 1.260 133 I CB 0.956 38.520 38.000 -0.727 0.000 1.390 133 I HN 1.017 nan 8.210 nan 0.000 0.475 134 Q N 6.371 126.086 119.800 -0.141 0.000 2.020 134 Q HA -0.066 4.289 4.340 0.025 0.000 0.198 134 Q C -0.034 175.911 176.000 -0.092 0.000 0.974 134 Q CA 1.298 57.048 55.803 -0.088 0.000 0.829 134 Q CB 0.616 29.302 28.738 -0.087 0.000 0.894 134 Q HN 0.799 nan 8.270 nan 0.000 0.433 135 Q N -1.349 118.354 119.800 -0.162 0.000 2.776 135 Q HA 0.448 4.803 4.340 0.025 0.000 0.289 135 Q C -1.779 174.061 176.000 -0.267 0.000 0.912 135 Q CA -0.703 55.004 55.803 -0.161 0.000 0.789 135 Q CB 0.641 29.297 28.738 -0.137 0.000 1.498 135 Q HN 0.150 nan 8.270 nan 0.000 0.408 136 L N 1.225 122.284 121.223 -0.273 0.000 2.362 136 L HA 0.645 5.000 4.340 0.025 0.000 0.271 136 L C -0.819 175.794 176.870 -0.428 0.000 1.002 136 L CA -0.942 53.668 54.840 -0.384 0.000 0.818 136 L CB 2.127 43.945 42.059 -0.401 0.000 1.298 136 L HN 0.627 nan 8.230 nan 0.000 0.420 137 N N 3.080 121.472 118.700 -0.514 0.000 2.448 137 N HA 0.565 5.320 4.740 0.025 0.000 0.279 137 N C -1.521 173.651 175.510 -0.563 0.000 1.025 137 N CA -0.470 52.269 53.050 -0.518 0.000 0.898 137 N CB 2.571 40.741 38.487 -0.528 0.000 1.303 137 N HN 0.281 nan 8.380 nan 0.000 0.495 138 L N 3.146 124.011 121.223 -0.596 0.000 2.346 138 L HA 0.539 4.894 4.340 0.025 0.000 0.276 138 L C -0.940 175.731 176.870 -0.333 0.000 1.006 138 L CA -0.595 54.016 54.840 -0.383 0.000 0.817 138 L CB 0.926 42.818 42.059 -0.278 0.000 1.272 138 L HN 0.395 nan 8.230 nan 0.000 0.421 139 Y N -0.172 120.232 120.300 0.173 0.000 2.485 139 Y HA 0.430 4.994 4.550 0.024 0.000 0.345 139 Y C -0.038 176.019 175.900 0.261 0.000 0.998 139 Y CA -1.286 56.946 58.100 0.219 0.000 1.059 139 Y CB 1.314 39.835 38.460 0.101 0.000 1.234 139 Y HN 0.466 nan 8.280 nan 0.000 0.461 140 D N 2.011 122.707 120.400 0.494 0.000 2.455 140 D HA -0.101 4.554 4.640 0.025 0.000 0.241 140 D C 0.735 177.242 176.300 0.344 0.000 1.138 140 D CA 0.512 54.775 54.000 0.438 0.000 0.877 140 D CB 0.986 42.118 40.800 0.555 0.000 1.187 140 D HN 0.767 nan 8.370 nan 0.000 0.451 141 D N 1.645 122.202 120.400 0.262 0.000 2.117 141 D HA -0.077 4.577 4.640 0.025 0.000 0.198 141 D C 0.904 177.342 176.300 0.229 0.000 0.982 141 D CA 1.232 55.361 54.000 0.215 0.000 0.828 141 D CB 0.636 41.516 40.800 0.133 0.000 0.967 141 D HN 0.603 nan 8.370 nan 0.000 0.464 142 G N -0.472 108.481 108.800 0.254 0.000 2.591 142 G HA2 -0.094 3.881 3.960 0.025 0.000 0.104 142 G HA3 -0.094 3.881 3.960 0.025 0.000 0.104 142 G C 0.629 175.668 174.900 0.231 0.000 1.097 142 G CA 0.589 45.859 45.100 0.284 0.000 1.076 142 G HN 0.175 nan 8.290 nan 0.000 0.485 143 S N 0.222 115.912 115.700 -0.016 0.000 2.447 143 S HA -0.063 4.422 4.470 0.025 0.000 0.233 143 S C 2.403 176.851 174.600 -0.253 0.000 1.006 143 S CA 1.775 59.654 58.200 -0.536 0.000 0.957 143 S CB -0.338 62.540 63.200 -0.538 0.000 0.773 143 S HN 0.681 nan 8.310 nan 0.000 0.507 144 M N 1.517 121.068 119.600 -0.082 0.000 2.088 144 M HA -0.245 4.250 4.480 0.025 0.000 0.256 144 M C 1.936 178.174 176.300 -0.102 0.000 1.071 144 M CA 2.234 57.497 55.300 -0.063 0.000 1.097 144 M CB -0.337 32.247 32.600 -0.027 0.000 1.315 144 M HN 0.237 nan 8.290 nan 0.000 0.406 145 E N -0.433 119.695 120.200 -0.118 0.000 2.118 145 E HA -0.206 4.159 4.350 0.025 0.000 0.195 145 E C 1.543 177.878 176.600 -0.442 0.000 0.992 145 E CA 2.072 58.330 56.400 -0.237 0.000 0.804 145 E CB -0.408 29.132 29.700 -0.266 0.000 0.741 145 E HN 0.697 nan 8.360 nan 0.000 0.458 146 Y N -0.825 119.296 120.300 -0.299 0.000 2.243 146 Y HA -0.098 4.469 4.550 0.027 0.000 0.293 146 Y C 2.257 177.933 175.900 -0.373 0.000 1.124 146 Y CA 0.535 58.307 58.100 -0.546 0.000 1.159 146 Y CB -0.474 37.529 38.460 -0.763 0.000 1.008 146 Y HN -0.107 nan 8.280 nan 0.000 0.527 147 V N 0.275 120.093 119.914 -0.159 0.000 2.407 147 V HA -0.273 3.861 4.120 0.025 0.000 0.248 147 V C 1.683 177.749 176.094 -0.047 0.000 1.055 147 V CA 2.115 64.367 62.300 -0.080 0.000 1.049 147 V CB -0.478 31.314 31.823 -0.051 0.000 0.662 147 V HN 0.382 nan 8.190 nan 0.000 0.455 148 D N -0.076 120.288 120.400 -0.060 0.000 2.117 148 D HA -0.091 4.564 4.640 0.025 0.000 0.198 148 D C 2.134 178.441 176.300 0.012 0.000 0.982 148 D CA 1.061 55.047 54.000 -0.024 0.000 0.828 148 D CB -0.205 40.580 40.800 -0.026 0.000 0.967 148 D HN 0.328 nan 8.370 nan 0.000 0.464 149 L N 0.977 122.204 121.223 0.006 0.000 2.131 149 L HA -0.128 4.227 4.340 0.025 0.000 0.210 149 L C 2.331 179.355 176.870 0.256 0.000 1.092 149 L CA 0.891 55.805 54.840 0.123 0.000 0.759 149 L CB -0.178 41.928 42.059 0.078 0.000 0.903 149 L HN -0.058 nan 8.230 nan 0.000 0.435 150 E N 0.542 120.858 120.200 0.193 0.000 2.153 150 E HA -0.216 4.149 4.350 0.025 0.000 0.194 150 E C 1.951 178.528 176.600 -0.039 0.000 0.988 150 E CA 1.049 57.533 56.400 0.140 0.000 0.811 150 E CB -0.060 29.700 29.700 0.101 0.000 0.746 150 E HN 0.513 nan 8.360 nan 0.000 0.466 151 K N 0.630 121.019 120.400 -0.018 0.000 2.515 151 K HA -0.064 4.271 4.320 0.025 0.000 0.196 151 K C 1.074 177.627 176.600 -0.078 0.000 1.038 151 K CA 0.549 56.806 56.287 -0.051 0.000 0.967 151 K CB 0.213 32.700 32.500 -0.022 0.000 0.780 151 K HN -0.010 nan 8.250 nan 0.000 0.483 152 E N 0.803 120.960 120.200 -0.072 0.000 2.465 152 E HA -0.058 4.307 4.350 0.025 0.000 0.195 152 E C 1.094 177.514 176.600 -0.300 0.000 1.028 152 E CA 0.186 56.547 56.400 -0.064 0.000 0.899 152 E CB 0.305 30.064 29.700 0.100 0.000 1.032 152 E HN 0.501 nan 8.360 nan 0.000 0.468 153 E N 0.535 120.317 120.200 -0.697 0.000 2.267 153 E HA -0.191 4.174 4.350 0.025 0.000 0.197 153 E C 0.694 176.929 176.600 -0.610 0.000 0.998 153 E CA 1.070 56.685 56.400 -1.308 0.000 0.830 153 E CB -0.382 28.729 29.700 -0.983 0.000 0.751 153 E HN 0.163 nan 8.360 nan 0.000 0.491 154 N N 0.177 118.690 118.700 -0.312 0.000 2.273 154 N HA 0.078 4.833 4.740 0.025 0.000 0.231 154 N C -0.742 174.715 175.510 -0.088 0.000 1.134 154 N CA -0.290 52.662 53.050 -0.163 0.000 0.856 154 N CB 0.477 38.889 38.487 -0.126 0.000 1.068 154 N HN -0.056 nan 8.380 nan 0.000 0.510 155 K N 0.592 120.953 120.400 -0.066 0.000 2.166 155 K HA 0.157 4.491 4.320 0.025 0.000 0.245 155 K C -0.696 175.919 176.600 0.025 0.000 0.967 155 K CA -0.524 55.756 56.287 -0.011 0.000 0.863 155 K CB 1.245 33.748 32.500 0.006 0.000 1.107 155 K HN -0.040 nan 8.250 nan 0.000 0.436 156 D N 3.101 123.511 120.400 0.017 0.000 2.402 156 D HA 0.043 4.698 4.640 0.025 0.000 0.235 156 D C 1.093 177.406 176.300 0.020 0.000 1.226 156 D CA -0.269 53.743 54.000 0.019 0.000 0.918 156 D CB 0.437 41.239 40.800 0.005 0.000 1.043 156 D HN 0.243 nan 8.370 nan 0.000 0.506 157 I N 2.463 123.057 120.570 0.041 0.000 2.286 157 I HA -0.229 3.955 4.170 0.025 0.000 0.248 157 I C 2.329 178.423 176.117 -0.038 0.000 1.115 157 I CA 0.699 62.007 61.300 0.014 0.000 1.392 157 I CB -1.281 36.730 38.000 0.018 0.000 1.065 157 I HN 0.339 nan 8.210 nan 0.000 0.418 158 S N 0.891 116.572 115.700 -0.031 0.000 2.359 158 S HA -0.158 4.327 4.470 0.025 0.000 0.224 158 S C 2.246 176.811 174.600 -0.059 0.000 1.035 158 S CA 1.617 59.787 58.200 -0.050 0.000 1.018 158 S CB -0.133 63.053 63.200 -0.022 0.000 0.876 158 S HN 0.481 nan 8.310 nan 0.000 0.448 159 A N 1.443 124.242 122.820 -0.034 0.000 1.898 159 A HA -0.040 4.295 4.320 0.025 0.000 0.216 159 A C 2.121 179.682 177.584 -0.038 0.000 1.181 159 A CA 1.458 53.477 52.037 -0.030 0.000 0.620 159 A CB -0.631 18.360 19.000 -0.014 0.000 0.819 159 A HN 0.563 nan 8.150 nan 0.000 0.442 160 E N 0.066 120.244 120.200 -0.036 0.000 2.110 160 E HA -0.151 4.214 4.350 0.025 0.000 0.193 160 E C 1.977 178.535 176.600 -0.071 0.000 0.988 160 E CA 1.039 57.419 56.400 -0.033 0.000 0.804 160 E CB -0.389 29.302 29.700 -0.014 0.000 0.745 160 E HN 0.740 nan 8.360 nan 0.000 0.458 161 I N 1.056 121.546 120.570 -0.134 0.000 2.179 161 I HA -0.293 3.892 4.170 0.025 0.000 0.242 161 I C 2.354 178.348 176.117 -0.205 0.000 1.088 161 I CA 1.262 62.409 61.300 -0.254 0.000 1.357 161 I CB -0.223 37.493 38.000 -0.473 0.000 1.051 161 I HN 0.031 nan 8.210 nan 0.000 0.409 162 K N 0.205 120.520 120.400 -0.142 0.000 2.063 162 K HA -0.275 4.060 4.320 0.025 0.000 0.208 162 K C 2.154 178.733 176.600 -0.036 0.000 1.048 162 K CA 1.592 57.833 56.287 -0.077 0.000 0.928 162 K CB -0.216 32.256 32.500 -0.046 0.000 0.713 162 K HN 0.176 nan 8.250 nan 0.000 0.442 163 Q N 0.937 120.722 119.800 -0.025 0.000 2.079 163 Q HA -0.072 4.282 4.340 0.025 0.000 0.200 163 Q C 1.915 177.936 176.000 0.035 0.000 0.974 163 Q CA 1.794 57.601 55.803 0.006 0.000 0.840 163 Q CB -0.252 28.491 28.738 0.008 0.000 0.898 163 Q HN 0.292 nan 8.270 nan 0.000 0.430 164 A N 0.464 123.301 122.820 0.028 0.000 1.940 164 A HA -0.233 4.102 4.320 0.025 0.000 0.219 164 A C 1.918 179.551 177.584 0.082 0.000 1.176 164 A CA 1.729 53.819 52.037 0.089 0.000 0.631 164 A CB -0.614 18.369 19.000 -0.030 0.000 0.814 164 A HN 0.577 nan 8.150 nan 0.000 0.446 165 E N -0.153 120.050 120.200 0.004 0.000 2.077 165 E HA -0.192 4.173 4.350 0.025 0.000 0.193 165 E C 2.059 178.675 176.600 0.027 0.000 0.989 165 E CA 1.348 57.754 56.400 0.011 0.000 0.800 165 E CB -0.160 29.544 29.700 0.007 0.000 0.746 165 E HN 0.601 nan 8.360 nan 0.000 0.452 166 K N 0.755 121.174 120.400 0.030 0.000 2.026 166 K HA -0.162 4.173 4.320 0.025 0.000 0.208 166 K C 2.275 178.921 176.600 0.077 0.000 1.048 166 K CA 1.178 57.486 56.287 0.034 0.000 0.929 166 K CB -0.090 32.441 32.500 0.053 0.000 0.713 166 K HN 0.136 nan 8.250 nan 0.000 0.439 167 Q N 0.538 120.389 119.800 0.084 0.000 2.167 167 Q HA -0.144 4.210 4.340 0.025 0.000 0.202 167 Q C 2.168 178.181 176.000 0.023 0.000 0.970 167 Q CA 0.866 56.671 55.803 0.004 0.000 0.855 167 Q CB -0.111 28.506 28.738 -0.203 0.000 0.911 167 Q HN 0.179 nan 8.270 nan 0.000 0.438 168 L N 0.931 122.277 121.223 0.203 0.000 2.083 168 L HA -0.173 4.181 4.340 0.025 0.000 0.209 168 L C 2.360 179.330 176.870 0.166 0.000 1.083 168 L CA 2.209 57.218 54.840 0.282 0.000 0.752 168 L CB -0.762 41.372 42.059 0.125 0.000 0.899 168 L HN 0.192 nan 8.230 nan 0.000 0.433 169 S N -1.726 113.986 115.700 0.019 0.000 2.383 169 S HA -0.258 4.227 4.470 0.025 0.000 0.229 169 S C 2.030 176.569 174.600 -0.102 0.000 1.030 169 S CA 1.380 59.527 58.200 -0.088 0.000 1.002 169 S CB -0.983 62.091 63.200 -0.211 0.000 0.829 169 S HN 0.631 nan 8.310 nan 0.000 0.467 170 H N -0.767 118.332 119.070 0.047 0.000 2.436 170 H HA 0.045 4.616 4.556 0.025 0.000 0.294 170 H C 1.959 177.323 175.328 0.061 0.000 1.048 170 H CA 1.455 57.518 56.048 0.025 0.000 1.353 170 H CB -0.617 29.130 29.762 -0.024 0.000 1.414 170 H HN 0.588 nan 8.280 nan 0.000 0.536 171 Y N 1.906 122.242 120.300 0.059 0.000 2.274 171 Y HA -0.151 4.414 4.550 0.025 0.000 0.290 171 Y C 2.327 178.298 175.900 0.119 0.000 1.145 171 Y CA 0.826 58.964 58.100 0.063 0.000 1.203 171 Y CB -0.602 37.937 38.460 0.132 0.000 0.984 171 Y HN 0.033 nan 8.280 nan 0.000 0.533 172 L N -0.370 120.937 121.223 0.140 0.000 2.265 172 L HA -0.191 4.163 4.340 0.025 0.000 0.215 172 L C 1.549 178.459 176.870 0.067 0.000 1.117 172 L CA 0.884 55.792 54.840 0.112 0.000 0.782 172 L CB -0.470 41.689 42.059 0.167 0.000 0.914 172 L HN 0.216 nan 8.230 nan 0.000 0.441 173 L N -0.045 121.182 121.223 0.006 0.000 2.653 173 L HA 0.064 4.419 4.340 0.025 0.000 0.232 173 L C 1.253 177.779 176.870 -0.572 0.000 1.169 173 L CA 0.405 55.173 54.840 -0.121 0.000 0.951 173 L CB -0.659 41.423 42.059 0.039 0.000 1.181 173 L HN 0.456 nan 8.230 nan 0.000 0.460 174 T N -4.342 109.971 114.554 -0.401 0.000 6.387 174 T HA -0.203 4.162 4.350 0.025 0.000 0.290 174 T C 0.802 175.360 174.700 -0.237 0.000 1.901 174 T CA 0.360 62.231 62.100 -0.382 0.000 3.035 174 T CB -2.543 65.999 68.868 -0.544 0.000 1.917 174 T HN 0.495 nan 8.240 nan 0.000 1.121 175 G N 0.758 109.471 108.800 -0.146 0.000 2.491 175 G HA2 0.434 4.409 3.960 0.025 0.000 0.238 175 G HA3 0.434 4.409 3.960 0.025 0.000 0.238 175 G C -0.024 174.871 174.900 -0.007 0.000 1.277 175 G CA -0.789 44.272 45.100 -0.064 0.000 0.851 175 G HN 0.576 nan 8.290 nan 0.000 0.573 176 K N 1.798 122.183 120.400 -0.026 0.000 2.079 176 K HA 0.175 4.510 4.320 0.025 0.000 0.255 176 K C 0.064 176.647 176.600 -0.027 0.000 1.114 176 K CA 0.281 56.565 56.287 -0.005 0.000 1.056 176 K CB 0.062 32.550 32.500 -0.021 0.000 1.176 176 K HN 0.145 nan 8.250 nan 0.000 0.353 177 I N 1.922 122.490 120.570 -0.002 0.000 2.441 177 I HA 0.315 4.500 4.170 0.025 0.000 0.295 177 I C -0.087 175.895 176.117 -0.225 0.000 0.994 177 I CA -0.732 60.478 61.300 -0.150 0.000 1.144 177 I CB 1.718 39.578 38.000 -0.233 0.000 1.314 177 I HN 0.414 nan 8.210 nan 0.000 0.445 178 K N 6.218 126.464 120.400 -0.256 0.000 2.535 178 K HA 0.430 4.765 4.320 0.025 0.000 0.253 178 K C -1.221 175.247 176.600 -0.220 0.000 0.953 178 K CA -0.509 55.677 56.287 -0.169 0.000 0.863 178 K CB 1.021 33.483 32.500 -0.065 0.000 1.111 178 K HN 0.199 nan 8.250 nan 0.000 0.431 179 F N 2.972 122.861 119.950 -0.102 0.000 2.578 179 F HA -0.036 4.506 4.527 0.026 0.000 0.376 179 F C 1.539 177.302 175.800 -0.062 0.000 1.085 179 F CA 0.277 58.218 58.000 -0.098 0.000 1.260 179 F CB 0.615 39.532 39.000 -0.139 0.000 1.095 179 F HN 0.615 nan 8.300 nan 0.000 0.573 180 D N 0.975 121.440 120.400 0.108 0.000 2.219 180 D HA -0.164 4.491 4.640 0.025 0.000 0.205 180 D C 0.595 176.936 176.300 0.068 0.000 0.970 180 D CA 1.394 55.429 54.000 0.058 0.000 0.851 180 D CB 0.043 40.861 40.800 0.031 0.000 0.943 180 D HN 0.311 nan 8.370 nan 0.000 0.488 181 N N -0.275 118.482 118.700 0.096 0.000 2.690 181 N HA 0.129 4.884 4.740 0.025 0.000 0.255 181 N C -2.269 173.254 175.510 0.022 0.000 1.195 181 N CA -1.574 51.506 53.050 0.051 0.000 0.790 181 N CB 1.867 40.373 38.487 0.031 0.000 1.216 181 N HN -0.272 nan 8.380 nan 0.000 0.528 182 P HA -0.078 nan 4.420 nan 0.000 0.217 182 P C 1.091 178.331 177.300 -0.100 0.000 1.148 182 P CA 1.416 64.484 63.100 -0.053 0.000 0.828 182 P CB 0.486 32.191 31.700 0.009 0.000 0.783 183 T N -0.558 113.980 114.554 -0.026 0.000 2.737 183 T HA -0.072 4.293 4.350 0.025 0.000 0.265 183 T C 1.672 176.421 174.700 0.082 0.000 1.038 183 T CA 0.934 63.047 62.100 0.022 0.000 1.144 183 T CB -0.615 68.288 68.868 0.059 0.000 0.866 183 T HN -0.028 nan 8.240 nan 0.000 0.434 184 I N 1.781 122.390 120.570 0.065 0.000 2.394 184 I HA -0.025 4.160 4.170 0.025 0.000 0.251 184 I C 2.852 178.958 176.117 -0.018 0.000 1.136 184 I CA 0.650 62.016 61.300 0.110 0.000 1.425 184 I CB -1.579 36.439 38.000 0.030 0.000 1.079 184 I HN 0.167 nan 8.210 nan 0.000 0.425 185 A N 0.969 123.654 122.820 -0.225 0.000 2.076 185 A HA -0.202 4.133 4.320 0.025 0.000 0.220 185 A C 2.355 179.585 177.584 -0.589 0.000 1.160 185 A CA 1.166 52.869 52.037 -0.558 0.000 0.653 185 A CB -0.619 17.690 19.000 -1.152 0.000 0.801 185 A HN 0.364 nan 8.150 nan 0.000 0.455 186 R N -2.048 118.221 120.500 -0.386 0.000 2.241 186 R HA -0.111 4.244 4.340 0.025 0.000 0.224 186 R C 0.400 176.480 176.300 -0.366 0.000 1.101 186 R CA 1.296 57.188 56.100 -0.346 0.000 0.995 186 R CB -0.247 29.740 30.300 -0.521 0.000 0.870 186 R HN 0.717 nan 8.270 nan 0.000 0.463 187 Y N -1.171 119.140 120.300 0.020 0.000 2.584 187 Y HA 0.129 4.695 4.550 0.027 0.000 0.254 187 Y C 1.169 177.165 175.900 0.159 0.000 1.177 187 Y CA -0.507 57.636 58.100 0.072 0.000 1.216 187 Y CB 0.934 39.354 38.460 -0.067 0.000 1.172 187 Y HN -0.127 nan 8.280 nan 0.000 0.529 188 V N -5.317 114.623 119.914 0.043 0.000 3.214 188 V HA 0.134 4.269 4.120 0.025 0.000 0.330 188 V C 0.867 177.011 176.094 0.083 0.000 1.403 188 V CA -0.596 61.784 62.300 0.133 0.000 1.143 188 V CB -0.890 30.897 31.823 -0.060 0.000 1.098 188 V HN 0.366 nan 8.190 nan 0.000 0.463 189 W N 1.944 123.416 121.300 0.287 0.000 2.364 189 W HA -0.156 4.518 4.660 0.023 0.000 0.281 189 W C 2.655 179.258 176.519 0.139 0.000 1.219 189 W CA 1.676 59.143 57.345 0.204 0.000 1.220 189 W CB -0.188 29.389 29.460 0.195 0.000 1.127 189 W HN 0.514 nan 8.180 nan 0.000 0.556 190 Q N 0.614 120.627 119.800 0.356 0.000 2.439 190 Q HA -0.169 4.186 4.340 0.025 0.000 0.211 190 Q C 1.739 177.797 176.000 0.097 0.000 0.978 190 Q CA 1.696 57.608 55.803 0.182 0.000 0.897 190 Q CB -0.742 28.044 28.738 0.081 0.000 0.956 190 Q HN 0.289 nan 8.270 nan 0.000 0.483 191 S N -1.048 114.721 115.700 0.116 0.000 2.562 191 S HA 0.292 4.777 4.470 0.025 0.000 0.221 191 S C 1.529 176.091 174.600 -0.062 0.000 0.975 191 S CA 0.223 58.455 58.200 0.054 0.000 0.918 191 S CB 0.555 63.808 63.200 0.089 0.000 0.772 191 S HN 0.500 nan 8.310 nan 0.000 0.531 192 A N -0.053 122.672 122.820 -0.157 0.000 1.975 192 A HA 0.699 5.034 4.320 0.025 0.000 0.197 192 A C 0.123 177.292 177.584 -0.691 0.000 1.537 192 A CA -0.019 51.691 52.037 -0.546 0.000 0.972 192 A CB 0.409 18.880 19.000 -0.881 0.000 1.019 192 A HN 0.426 nan 8.150 nan 0.000 0.488 193 F N -1.400 118.640 119.950 0.150 0.000 2.664 193 F HA 0.587 5.128 4.527 0.024 0.000 0.317 193 F C -2.933 172.891 175.800 0.039 0.000 1.108 193 F CA -3.002 55.045 58.000 0.078 0.000 0.957 193 F CB 0.513 39.547 39.000 0.056 0.000 1.365 193 F HN -0.265 nan 8.300 nan 0.000 0.475 194 P HA 0.307 nan 4.420 nan 0.000 0.271 194 P C -1.209 176.105 177.300 0.023 0.000 1.216 194 P CA -0.020 63.121 63.100 0.069 0.000 0.771 194 P CB 1.164 32.879 31.700 0.026 0.000 0.864 195 V N 3.083 122.978 119.914 -0.031 0.000 3.087 195 V HA 0.713 4.848 4.120 0.025 0.000 0.306 195 V C -1.542 174.414 176.094 -0.231 0.000 1.187 195 V CA -0.846 61.359 62.300 -0.158 0.000 0.999 195 V CB 2.531 34.271 31.823 -0.137 0.000 1.049 195 V HN 0.332 nan 8.190 nan 0.000 0.431 196 K N 4.344 124.513 120.400 -0.387 0.000 2.541 196 K HA 0.587 4.922 4.320 0.025 0.000 0.250 196 K C -2.047 174.176 176.600 -0.628 0.000 0.950 196 K CA -0.317 55.724 56.287 -0.410 0.000 0.805 196 K CB 1.287 33.585 32.500 -0.338 0.000 1.166 196 K HN 0.623 nan 8.250 nan 0.000 0.430 197 Y N 2.408 122.406 120.300 -0.505 0.000 2.361 197 Y HA 0.372 4.937 4.550 0.025 0.000 0.332 197 Y C -0.179 175.174 175.900 -0.912 0.000 1.101 197 Y CA -0.331 57.409 58.100 -0.600 0.000 1.137 197 Y CB 1.487 39.530 38.460 -0.694 0.000 1.207 197 Y HN 0.555 nan 8.280 nan 0.000 0.463 198 H N 2.791 121.666 119.070 -0.324 0.000 2.762 198 H HA 0.380 4.950 4.556 0.025 0.000 0.310 198 H C -1.378 174.028 175.328 0.129 0.000 1.004 198 H CA -0.728 55.231 56.048 -0.148 0.000 1.267 198 H CB 0.325 30.057 29.762 -0.051 0.000 1.437 198 H HN 0.358 nan 8.280 nan 0.000 0.498 199 F N 2.012 122.142 119.950 0.300 0.000 2.422 199 F HA 0.222 4.762 4.527 0.021 0.000 0.333 199 F C 1.264 177.305 175.800 0.401 0.000 1.095 199 F CA -1.078 57.154 58.000 0.388 0.000 1.038 199 F CB 0.993 40.209 39.000 0.361 0.000 1.156 199 F HN 0.471 nan 8.300 nan 0.000 0.483 200 L N 0.685 122.332 121.223 0.708 0.000 2.093 200 L HA -0.061 4.294 4.340 0.025 0.000 0.208 200 L C 0.872 177.940 176.870 0.330 0.000 1.085 200 L CA 1.265 56.408 54.840 0.505 0.000 0.755 200 L CB -0.086 42.269 42.059 0.493 0.000 0.904 200 L HN 0.564 nan 8.230 nan 0.000 0.435 201 S N -1.510 114.401 115.700 0.351 0.000 2.664 201 S HA 0.178 4.663 4.470 0.025 0.000 0.262 201 S C 0.883 175.766 174.600 0.471 0.000 1.229 201 S CA -0.380 57.952 58.200 0.220 0.000 1.151 201 S CB 0.901 64.013 63.200 -0.147 0.000 1.054 201 S HN 0.325 nan 8.310 nan 0.000 0.483 202 T N 1.168 115.991 114.554 0.449 0.000 2.951 202 T HA -0.040 4.325 4.350 0.025 0.000 0.268 202 T C 1.099 176.016 174.700 0.363 0.000 1.073 202 T CA 0.922 63.316 62.100 0.490 0.000 1.134 202 T CB -0.323 68.840 68.868 0.492 0.000 0.884 202 T HN 0.487 nan 8.240 nan 0.000 0.479 203 D N 0.535 121.091 120.400 0.260 0.000 2.149 203 D HA -0.095 4.560 4.640 0.025 0.000 0.198 203 D C 1.588 177.974 176.300 0.144 0.000 0.990 203 D CA 1.031 55.133 54.000 0.171 0.000 0.839 203 D CB -0.495 40.376 40.800 0.118 0.000 0.948 203 D HN 0.469 nan 8.370 nan 0.000 0.460 204 Y N 0.506 120.829 120.300 0.039 0.000 2.097 204 Y HA -0.263 4.300 4.550 0.022 0.000 0.282 204 Y C 2.088 177.851 175.900 -0.229 0.000 1.152 204 Y CA 1.560 59.608 58.100 -0.087 0.000 1.136 204 Y CB -0.669 37.743 38.460 -0.079 0.000 0.975 204 Y HN -0.117 nan 8.280 nan 0.000 0.498 205 F N 0.354 120.240 119.950 -0.106 0.000 2.234 205 F HA -0.129 4.410 4.527 0.020 0.000 0.299 205 F C 2.185 177.843 175.800 -0.236 0.000 1.087 205 F CA 1.771 59.583 58.000 -0.314 0.000 1.340 205 F CB -0.322 38.438 39.000 -0.401 0.000 1.031 205 F HN 0.124 nan 8.300 nan 0.000 0.500 206 E N -0.522 119.717 120.200 0.064 0.000 2.385 206 E HA -0.030 4.335 4.350 0.025 0.000 0.194 206 E C 1.559 178.149 176.600 -0.018 0.000 1.013 206 E CA 0.430 56.865 56.400 0.058 0.000 0.866 206 E CB 0.092 29.876 29.700 0.141 0.000 0.832 206 E HN 0.372 nan 8.360 nan 0.000 0.500 207 K N 0.027 120.380 120.400 -0.079 0.000 2.391 207 K HA 0.258 4.593 4.320 0.025 0.000 0.197 207 K C 0.263 176.771 176.600 -0.154 0.000 1.087 207 K CA -0.054 56.184 56.287 -0.081 0.000 1.012 207 K CB 1.230 33.711 32.500 -0.030 0.000 0.925 207 K HN -0.109 nan 8.250 nan 0.000 0.547 208 A N 1.856 124.479 122.820 -0.328 0.000 2.376 208 A HA 0.327 4.662 4.320 0.025 0.000 0.298 208 A C 1.237 178.630 177.584 -0.318 0.000 1.271 208 A CA 0.434 52.235 52.037 -0.393 0.000 0.926 208 A CB -0.017 18.456 19.000 -0.879 0.000 1.141 208 A HN 0.373 nan 8.150 nan 0.000 0.539 209 E N 3.028 123.162 120.200 -0.111 0.000 2.114 209 E HA -0.283 4.082 4.350 0.025 0.000 0.199 209 E C 1.422 177.989 176.600 -0.056 0.000 1.008 209 E CA 2.062 58.428 56.400 -0.056 0.000 0.810 209 E CB -1.256 28.452 29.700 0.014 0.000 0.739 209 E HN 1.468 nan 8.360 nan 0.000 0.456 210 F N -0.368 119.512 119.950 -0.116 0.000 2.365 210 F HA 0.178 4.720 4.527 0.025 0.000 0.300 210 F C 1.909 177.641 175.800 -0.114 0.000 1.090 210 F CA 0.904 58.843 58.000 -0.101 0.000 1.408 210 F CB -0.069 38.874 39.000 -0.096 0.000 1.060 210 F HN 0.112 nan 8.300 nan 0.000 0.534 211 L N 0.560 121.215 121.223 -0.947 0.000 2.592 211 L HA 0.060 4.415 4.340 0.025 0.000 0.227 211 L C 1.934 178.602 176.870 -0.338 0.000 1.127 211 L CA -0.126 54.255 54.840 -0.765 0.000 0.884 211 L CB -0.488 40.945 42.059 -1.044 0.000 1.065 211 L HN 0.131 nan 8.230 nan 0.000 0.457 212 Q N 0.290 119.956 119.800 -0.224 0.000 2.135 212 Q HA -0.162 4.193 4.340 0.025 0.000 0.204 212 Q C -0.362 175.612 176.000 -0.044 0.000 0.981 212 Q CA 1.645 57.389 55.803 -0.099 0.000 0.856 212 Q CB -1.448 27.254 28.738 -0.060 0.000 0.902 212 Q HN 0.400 nan 8.270 nan 0.000 0.425 213 P HA -0.121 nan 4.420 nan 0.000 0.217 213 P C 1.508 178.824 177.300 0.026 0.000 1.150 213 P CA 0.735 63.832 63.100 -0.006 0.000 0.832 213 P CB -0.034 31.651 31.700 -0.024 0.000 0.787 214 L N -0.072 121.137 121.223 -0.024 0.000 2.072 214 L HA -0.056 4.299 4.340 0.025 0.000 0.205 214 L C 2.192 179.113 176.870 0.085 0.000 1.079 214 L CA 1.912 56.764 54.840 0.021 0.000 0.752 214 L CB -1.057 40.950 42.059 -0.087 0.000 0.906 214 L HN -0.231 nan 8.230 nan 0.000 0.436 215 K N 0.280 120.706 120.400 0.043 0.000 2.057 215 K HA -0.212 4.123 4.320 0.025 0.000 0.207 215 K C 1.853 178.549 176.600 0.159 0.000 1.049 215 K CA 2.041 58.387 56.287 0.099 0.000 0.931 215 K CB -0.142 32.404 32.500 0.078 0.000 0.714 215 K HN 0.552 nan 8.250 nan 0.000 0.440 216 E N -0.836 119.434 120.200 0.117 0.000 2.107 216 E HA -0.188 4.177 4.350 0.025 0.000 0.191 216 E C 1.970 178.649 176.600 0.132 0.000 0.982 216 E CA 1.011 57.476 56.400 0.109 0.000 0.809 216 E CB -0.288 29.460 29.700 0.080 0.000 0.756 216 E HN 0.353 nan 8.360 nan 0.000 0.459 217 Y N 1.575 121.894 120.300 0.032 0.000 2.145 217 Y HA -0.183 4.381 4.550 0.024 0.000 0.286 217 Y C 1.877 177.813 175.900 0.059 0.000 1.145 217 Y CA 1.359 59.480 58.100 0.034 0.000 1.148 217 Y CB -0.216 38.256 38.460 0.019 0.000 0.981 217 Y HN -0.069 nan 8.280 nan 0.000 0.507 218 L N 0.075 121.323 121.223 0.041 0.000 2.265 218 L HA -0.113 4.242 4.340 0.025 0.000 0.215 218 L C 2.154 179.026 176.870 0.004 0.000 1.117 218 L CA 0.605 55.446 54.840 0.002 0.000 0.782 218 L CB -1.228 40.935 42.059 0.173 0.000 0.914 218 L HN 0.524 nan 8.230 nan 0.000 0.441 219 A N 0.607 123.435 122.820 0.013 0.000 5.318 219 A HA -0.356 3.978 4.320 0.025 0.000 0.329 219 A C 1.409 178.920 177.584 -0.122 0.000 1.789 219 A CA 2.001 54.013 52.037 -0.040 0.000 0.711 219 A CB -1.116 17.837 19.000 -0.079 0.000 1.398 219 A HN 0.419 nan 8.150 nan 0.000 0.392 220 E N 1.155 121.269 120.200 -0.142 0.000 2.437 220 E HA 0.073 4.438 4.350 0.025 0.000 0.189 220 E C 0.567 177.046 176.600 -0.201 0.000 1.054 220 E CA 0.216 56.492 56.400 -0.207 0.000 0.874 220 E CB -0.258 29.355 29.700 -0.145 0.000 1.011 220 E HN 0.538 nan 8.360 nan 0.000 0.474 221 N N 0.765 119.395 118.700 -0.116 0.000 2.461 221 N HA -0.029 4.726 4.740 0.025 0.000 0.188 221 N C 0.050 175.561 175.510 0.002 0.000 1.134 221 N CA 0.270 53.301 53.050 -0.030 0.000 0.878 221 N CB 0.089 38.633 38.487 0.096 0.000 0.972 221 N HN 0.302 nan 8.380 nan 0.000 0.456 222 Y N -0.129 120.064 120.300 -0.179 0.000 2.576 222 Y HA 0.582 5.144 4.550 0.019 0.000 0.346 222 Y C -0.679 175.035 175.900 -0.309 0.000 1.018 222 Y CA -1.375 56.497 58.100 -0.380 0.000 1.050 222 Y CB 0.937 39.055 38.460 -0.570 0.000 1.280 222 Y HN -0.050 nan 8.280 nan 0.000 0.474 223 Q N 1.284 120.979 119.800 -0.175 0.000 2.511 223 Q HA 0.418 4.773 4.340 0.025 0.000 0.289 223 Q C -1.796 174.250 176.000 0.077 0.000 1.021 223 Q CA -1.324 54.432 55.803 -0.079 0.000 0.785 223 Q CB 2.528 31.171 28.738 -0.159 0.000 1.472 223 Q HN 0.782 nan 8.270 nan 0.000 0.411 224 K N 1.338 121.835 120.400 0.162 0.000 2.326 224 K HA 0.209 4.544 4.320 0.025 0.000 0.275 224 K C -0.225 176.466 176.600 0.150 0.000 1.018 224 K CA -0.364 56.062 56.287 0.233 0.000 0.962 224 K CB 0.794 33.438 32.500 0.240 0.000 0.953 224 K HN 0.802 nan 8.250 nan 0.000 0.475 225 M N 3.842 123.532 119.600 0.151 0.000 2.327 225 M HA -0.078 4.416 4.480 0.025 0.000 0.353 225 M C -0.418 175.686 176.300 -0.327 0.000 1.539 225 M CA 0.341 55.600 55.300 -0.068 0.000 1.039 225 M CB 0.252 32.736 32.600 -0.193 0.000 1.967 225 M HN 0.526 nan 8.290 nan 0.000 0.459 226 D N 3.973 124.229 120.400 -0.240 0.000 2.351 226 D HA 0.076 4.731 4.640 0.025 0.000 0.251 226 D C -0.702 175.389 176.300 -0.349 0.000 1.137 226 D CA 0.278 54.172 54.000 -0.177 0.000 0.879 226 D CB 0.493 41.272 40.800 -0.035 0.000 1.181 226 D HN 0.632 nan 8.370 nan 0.000 0.448 227 W N 1.286 122.630 121.300 0.072 0.000 3.008 227 W HA 0.147 4.819 4.660 0.020 0.000 0.355 227 W C 1.625 178.171 176.519 0.044 0.000 1.095 227 W CA -0.074 57.302 57.345 0.051 0.000 1.738 227 W CB 0.437 29.927 29.460 0.049 0.000 1.091 227 W HN 0.501 nan 8.180 nan 0.000 0.574 228 T N -3.630 111.044 114.554 0.199 0.000 3.092 228 T HA 0.394 4.759 4.350 0.025 0.000 0.258 228 T C 1.745 176.499 174.700 0.090 0.000 1.031 228 T CA 0.497 62.687 62.100 0.149 0.000 0.925 228 T CB 0.159 69.100 68.868 0.121 0.000 1.036 228 T HN -0.028 nan 8.240 nan 0.000 0.544 229 A N 1.114 123.962 122.820 0.047 0.000 1.908 229 A HA -0.077 4.258 4.320 0.025 0.000 0.218 229 A C 1.939 179.514 177.584 -0.015 0.000 1.181 229 A CA 1.555 53.585 52.037 -0.013 0.000 0.627 229 A CB -1.268 17.690 19.000 -0.071 0.000 0.818 229 A HN 0.631 nan 8.150 nan 0.000 0.445 230 Y N 0.697 120.921 120.300 -0.127 0.000 2.193 230 Y HA -0.271 4.293 4.550 0.024 0.000 0.285 230 Y C 2.420 178.281 175.900 -0.064 0.000 1.166 230 Y CA 2.292 60.311 58.100 -0.135 0.000 1.181 230 Y CB -0.099 38.302 38.460 -0.098 0.000 0.976 230 Y HN 0.354 nan 8.280 nan 0.000 0.520 231 Q N -0.216 119.624 119.800 0.067 0.000 2.291 231 Q HA -0.180 4.175 4.340 0.025 0.000 0.205 231 Q C 1.624 177.579 176.000 -0.076 0.000 0.970 231 Q CA 1.359 57.161 55.803 -0.002 0.000 0.876 231 Q CB -0.240 28.538 28.738 0.067 0.000 0.935 231 Q HN 0.603 nan 8.270 nan 0.000 0.455 232 Q N -0.416 119.336 119.800 -0.080 0.000 2.319 232 Q HA 0.231 4.586 4.340 0.025 0.000 0.202 232 Q C 0.236 176.163 176.000 -0.122 0.000 0.896 232 Q CA -0.033 55.720 55.803 -0.082 0.000 0.942 232 Q CB 0.505 29.212 28.738 -0.052 0.000 1.083 232 Q HN 0.242 nan 8.270 nan 0.000 0.510 233 L N 0.773 121.883 121.223 -0.189 0.000 2.466 233 L HA 0.244 4.598 4.340 0.025 0.000 0.257 233 L C 0.807 177.559 176.870 -0.196 0.000 1.189 233 L CA -0.553 54.162 54.840 -0.208 0.000 0.813 233 L CB 0.585 42.470 42.059 -0.290 0.000 1.118 233 L HN 0.152 nan 8.230 nan 0.000 0.471 234 T N -2.081 112.376 114.554 -0.162 0.000 2.828 234 T HA 0.173 4.537 4.350 0.025 0.000 0.290 234 T C -1.981 172.631 174.700 -0.146 0.000 1.019 234 T CA -1.516 60.505 62.100 -0.133 0.000 1.031 234 T CB 1.023 69.825 68.868 -0.111 0.000 1.001 234 T HN 0.345 nan 8.240 nan 0.000 0.531 235 P HA -0.035 nan 4.420 nan 0.000 0.217 235 P C 1.241 178.501 177.300 -0.067 0.000 1.150 235 P CA 0.918 63.959 63.100 -0.098 0.000 0.832 235 P CB 0.055 31.716 31.700 -0.064 0.000 0.787 236 E N -0.445 119.721 120.200 -0.056 0.000 2.072 236 E HA -0.180 4.185 4.350 0.025 0.000 0.191 236 E C 2.129 178.729 176.600 -0.001 0.000 0.985 236 E CA 1.192 57.578 56.400 -0.024 0.000 0.801 236 E CB -0.775 28.899 29.700 -0.043 0.000 0.750 236 E HN 0.372 nan 8.360 nan 0.000 0.452 237 Q N 0.143 119.903 119.800 -0.067 0.000 2.167 237 Q HA -0.142 4.213 4.340 0.025 0.000 0.202 237 Q C 2.161 178.194 176.000 0.055 0.000 0.970 237 Q CA 1.049 56.819 55.803 -0.054 0.000 0.855 237 Q CB -0.031 28.615 28.738 -0.153 0.000 0.911 237 Q HN 0.395 nan 8.270 nan 0.000 0.438 238 Q N 0.091 119.850 119.800 -0.069 0.000 2.079 238 Q HA -0.135 4.220 4.340 0.025 0.000 0.200 238 Q C 2.160 178.277 176.000 0.194 0.000 0.974 238 Q CA 1.290 57.043 55.803 -0.084 0.000 0.840 238 Q CB -0.194 28.305 28.738 -0.399 0.000 0.898 238 Q HN 0.369 nan 8.270 nan 0.000 0.430 239 A N 0.614 123.507 122.820 0.122 0.000 1.902 239 A HA -0.196 4.139 4.320 0.025 0.000 0.217 239 A C 1.870 179.556 177.584 0.170 0.000 1.181 239 A CA 1.074 53.185 52.037 0.124 0.000 0.623 239 A CB -0.797 18.250 19.000 0.078 0.000 0.818 239 A HN 0.426 nan 8.150 nan 0.000 0.443 240 F N -0.997 118.978 119.950 0.042 0.000 2.095 240 F HA -0.233 4.308 4.527 0.024 0.000 0.298 240 F C 2.172 178.013 175.800 0.068 0.000 1.104 240 F CA 2.218 60.237 58.000 0.032 0.000 1.232 240 F CB -0.490 38.505 39.000 -0.009 0.000 0.987 240 F HN 0.371 nan 8.300 nan 0.000 0.475 241 Y N 0.718 121.146 120.300 0.214 0.000 2.145 241 Y HA -0.210 4.355 4.550 0.025 0.000 0.286 241 Y C 2.100 178.044 175.900 0.074 0.000 1.145 241 Y CA 1.880 60.059 58.100 0.132 0.000 1.148 241 Y CB -0.634 37.967 38.460 0.234 0.000 0.981 241 Y HN 0.078 nan 8.280 nan 0.000 0.507 242 L N -1.099 120.213 121.223 0.148 0.000 2.079 242 L HA -0.266 4.089 4.340 0.025 0.000 0.210 242 L C 2.268 179.112 176.870 -0.045 0.000 1.081 242 L CA 1.833 56.698 54.840 0.042 0.000 0.752 242 L CB -0.929 41.153 42.059 0.039 0.000 0.896 242 L HN 0.202 nan 8.230 nan 0.000 0.433 243 T N 0.065 114.569 114.554 -0.084 0.000 2.812 243 T HA -0.077 4.287 4.350 0.025 0.000 0.264 243 T C 1.992 176.576 174.700 -0.192 0.000 1.042 243 T CA 0.940 62.964 62.100 -0.126 0.000 1.140 243 T CB -0.144 68.631 68.868 -0.154 0.000 0.870 243 T HN 0.189 nan 8.240 nan 0.000 0.445 244 L N 1.450 122.490 121.223 -0.307 0.000 2.079 244 L HA -0.059 4.296 4.340 0.025 0.000 0.210 244 L C 2.463 179.197 176.870 -0.227 0.000 1.081 244 L CA 1.066 55.717 54.840 -0.315 0.000 0.752 244 L CB -0.606 41.222 42.059 -0.385 0.000 0.896 244 L HN 0.268 nan 8.230 nan 0.000 0.433 245 V N -3.396 116.344 119.914 -0.289 0.000 3.647 245 V HA 0.408 4.543 4.120 0.025 0.000 0.279 245 V C 1.221 177.320 176.094 0.009 0.000 1.314 245 V CA 0.274 62.499 62.300 -0.126 0.000 1.125 245 V CB -0.512 31.130 31.823 -0.302 0.000 0.907 245 V HN 0.491 nan 8.190 nan 0.000 0.434 246 G N 0.672 109.465 108.800 -0.011 0.000 2.246 246 G HA2 -0.323 3.651 3.960 0.025 0.000 0.273 246 G HA3 -0.323 3.651 3.960 0.025 0.000 0.273 246 G C -0.156 174.791 174.900 0.078 0.000 1.055 246 G CA 0.493 45.600 45.100 0.012 0.000 0.851 246 G HN 0.774 nan 8.290 nan 0.000 0.500 247 F N 1.959 121.860 119.950 -0.082 0.000 2.309 247 F HA 0.367 4.908 4.527 0.024 0.000 0.366 247 F C 0.784 176.558 175.800 -0.043 0.000 1.104 247 F CA -1.193 56.766 58.000 -0.069 0.000 1.179 247 F CB 0.240 39.191 39.000 -0.081 0.000 1.437 247 F HN 0.389 nan 8.300 nan 0.000 0.528 248 N N 1.817 120.682 118.700 0.276 0.000 2.444 248 N HA -0.050 4.705 4.740 0.025 0.000 0.255 248 N C 0.496 176.025 175.510 0.031 0.000 1.255 248 N CA -0.200 52.912 53.050 0.102 0.000 0.933 248 N CB 0.656 39.190 38.487 0.078 0.000 1.143 248 N HN 0.519 nan 8.380 nan 0.000 0.453 249 D N -0.437 119.949 120.400 -0.022 0.000 2.178 249 D HA -0.160 4.495 4.640 0.025 0.000 0.201 249 D C 2.004 178.299 176.300 -0.009 0.000 0.980 249 D CA 1.862 55.829 54.000 -0.054 0.000 0.842 249 D CB -0.068 40.711 40.800 -0.034 0.000 0.948 249 D HN 0.739 nan 8.370 nan 0.000 0.472 250 E N -0.147 120.071 120.200 0.030 0.000 2.031 250 E HA -0.155 4.210 4.350 0.025 0.000 0.193 250 E C 2.319 178.970 176.600 0.085 0.000 0.994 250 E CA 1.701 58.130 56.400 0.049 0.000 0.800 250 E CB -1.171 28.559 29.700 0.050 0.000 0.752 250 E HN 0.207 nan 8.360 nan 0.000 0.447 251 V N 1.267 121.263 119.914 0.137 0.000 2.343 251 V HA -0.265 3.870 4.120 0.025 0.000 0.247 251 V C 2.647 178.894 176.094 0.255 0.000 1.051 251 V CA 2.341 64.771 62.300 0.217 0.000 1.036 251 V CB -0.473 31.520 31.823 0.282 0.000 0.654 251 V HN 0.602 nan 8.190 nan 0.000 0.451 252 K N -0.118 120.374 120.400 0.153 0.000 2.063 252 K HA -0.263 4.072 4.320 0.025 0.000 0.208 252 K C 2.272 178.867 176.600 -0.008 0.000 1.048 252 K CA 1.885 58.113 56.287 -0.098 0.000 0.928 252 K CB -0.176 32.009 32.500 -0.525 0.000 0.713 252 K HN 0.538 nan 8.250 nan 0.000 0.442 253 Q N 0.110 119.915 119.800 0.008 0.000 2.096 253 Q HA -0.161 4.194 4.340 0.025 0.000 0.204 253 Q C 2.216 178.263 176.000 0.078 0.000 0.982 253 Q CA 2.005 57.826 55.803 0.030 0.000 0.850 253 Q CB -0.125 28.629 28.738 0.026 0.000 0.901 253 Q HN 0.495 nan 8.270 nan 0.000 0.422 254 S N 0.540 116.314 115.700 0.124 0.000 2.399 254 S HA -0.101 4.384 4.470 0.025 0.000 0.231 254 S C 1.765 176.536 174.600 0.285 0.000 1.022 254 S CA 0.820 59.138 58.200 0.197 0.000 0.983 254 S CB -0.300 63.040 63.200 0.233 0.000 0.803 254 S HN 0.305 nan 8.310 nan 0.000 0.480 255 L N 0.799 122.134 121.223 0.187 0.000 2.599 255 L HA 0.236 4.591 4.340 0.025 0.000 0.230 255 L C 1.802 178.701 176.870 0.048 0.000 1.141 255 L CA 0.571 55.446 54.840 0.058 0.000 0.877 255 L CB -0.226 41.833 42.059 -0.001 0.000 1.009 255 L HN 0.383 nan 8.230 nan 0.000 0.447 256 E N -0.940 119.303 120.200 0.072 0.000 2.498 256 E HA 0.101 4.466 4.350 0.025 0.000 0.203 256 E C 0.210 176.846 176.600 0.060 0.000 1.013 256 E CA -0.246 56.183 56.400 0.047 0.000 0.927 256 E CB 0.813 30.529 29.700 0.028 0.000 1.012 256 E HN 0.103 nan 8.360 nan 0.000 0.482 257 V N 2.698 122.668 119.914 0.093 0.000 2.763 257 V HA -0.091 4.044 4.120 0.025 0.000 0.306 257 V C 0.825 176.959 176.094 0.067 0.000 1.059 257 V CA 0.368 62.718 62.300 0.084 0.000 1.138 257 V CB 0.829 32.720 31.823 0.112 0.000 0.940 257 V HN 0.236 nan 8.190 nan 0.000 0.489 258 Q N 4.994 124.821 119.800 0.046 0.000 3.026 258 Q HA 0.286 4.641 4.340 0.025 0.000 0.258 258 Q C -0.213 175.803 176.000 0.027 0.000 1.388 258 Q CA 0.406 56.228 55.803 0.032 0.000 1.000 258 Q CB 0.165 28.916 28.738 0.022 0.000 1.634 258 Q HN 0.783 nan 8.270 nan 0.000 0.571 259 Q N -0.550 119.270 119.800 0.032 0.000 2.482 259 Q HA 0.612 4.967 4.340 0.025 0.000 0.286 259 Q C -1.398 174.590 176.000 -0.020 0.000 1.007 259 Q CA -0.596 55.215 55.803 0.013 0.000 0.801 259 Q CB 1.908 30.666 28.738 0.034 0.000 1.455 259 Q HN 0.474 nan 8.270 nan 0.000 0.398 260 A N 2.336 125.075 122.820 -0.136 0.000 2.498 260 A HA 0.293 4.628 4.320 0.025 0.000 0.239 260 A C -0.788 176.699 177.584 -0.163 0.000 1.068 260 A CA 0.486 52.309 52.037 -0.356 0.000 0.766 260 A CB 0.193 18.569 19.000 -1.040 0.000 1.003 260 A HN 0.544 nan 8.150 nan 0.000 0.497 261 K N 0.690 121.150 120.400 0.101 0.000 2.378 261 K HA 0.554 4.889 4.320 0.025 0.000 0.252 261 K C -1.575 175.368 176.600 0.571 0.000 0.931 261 K CA -0.252 56.271 56.287 0.393 0.000 0.794 261 K CB 2.263 34.911 32.500 0.246 0.000 1.181 261 K HN 0.589 nan 8.250 nan 0.000 0.425 262 F N 3.814 124.042 119.950 0.463 0.000 2.529 262 F HA 0.523 5.064 4.527 0.023 0.000 0.320 262 F C -1.196 174.768 175.800 0.274 0.000 1.118 262 F CA -0.866 57.297 58.000 0.272 0.000 0.915 262 F CB 0.909 39.982 39.000 0.121 0.000 1.161 262 F HN 0.373 nan 8.300 nan 0.000 0.445 263 I N 6.945 127.146 120.570 -0.615 0.000 2.354 263 I HA 0.258 4.443 4.170 0.025 0.000 0.292 263 I C -1.141 174.503 176.117 -0.788 0.000 0.989 263 I CA -0.831 60.215 61.300 -0.424 0.000 1.188 263 I CB 1.471 39.347 38.000 -0.207 0.000 1.342 263 I HN 0.542 nan 8.210 nan 0.000 0.457 264 F N 6.105 125.785 119.950 -0.451 0.000 2.410 264 F HA 0.350 4.892 4.527 0.025 0.000 0.349 264 F C 0.536 176.295 175.800 -0.069 0.000 1.117 264 F CA -0.511 57.350 58.000 -0.231 0.000 1.104 264 F CB 1.223 40.345 39.000 0.204 0.000 1.122 264 F HN 0.425 nan 8.300 nan 0.000 0.483 265 T N 3.417 117.587 114.554 -0.640 0.000 2.727 265 T HA 0.618 4.982 4.350 0.025 0.000 0.298 265 T C 0.462 174.892 174.700 -0.449 0.000 0.942 265 T CA -0.532 61.323 62.100 -0.408 0.000 0.997 265 T CB 0.590 69.312 68.868 -0.244 0.000 0.917 265 T HN 0.821 nan 8.240 nan 0.000 0.487 266 G N 1.497 110.213 108.800 -0.140 0.000 2.580 266 G HA2 0.569 4.544 3.960 0.025 0.000 0.278 266 G HA3 0.569 4.544 3.960 0.025 0.000 0.278 266 G C -0.355 174.654 174.900 0.182 0.000 1.212 266 G CA -0.507 44.736 45.100 0.239 0.000 0.939 266 G HN 0.895 nan 8.290 nan 0.000 0.513 267 T N -3.029 111.701 114.554 0.293 0.000 2.654 267 T HA 0.600 4.965 4.350 0.025 0.000 0.289 267 T C 1.383 176.184 174.700 0.167 0.000 1.062 267 T CA 0.531 62.764 62.100 0.222 0.000 1.041 267 T CB 0.998 69.971 68.868 0.174 0.000 1.417 267 T HN 0.796 nan 8.240 nan 0.000 0.510 268 T N -0.498 114.042 114.554 -0.023 0.000 3.412 268 T HA 0.460 4.825 4.350 0.025 0.000 0.193 268 T C 0.917 175.568 174.700 -0.083 0.000 0.810 268 T CA 0.938 62.977 62.100 -0.101 0.000 1.910 268 T CB -0.810 67.878 68.868 -0.299 0.000 1.974 268 T HN 0.935 nan 8.240 nan 0.000 0.443 269 T N -1.460 112.942 114.554 -0.254 0.000 2.831 269 T HA 0.710 5.075 4.350 0.025 0.000 0.287 269 T C -1.535 172.922 174.700 -0.404 0.000 1.070 269 T CA -0.929 60.716 62.100 -0.758 0.000 1.010 269 T CB 1.953 70.162 68.868 -1.099 0.000 1.264 269 T HN 0.974 nan 8.240 nan 0.000 0.532 270 W N -1.078 119.752 121.300 -0.783 0.000 2.874 270 W HA 0.618 5.294 4.660 0.026 0.000 0.403 270 W C -0.685 175.724 176.519 -0.183 0.000 1.144 270 W CA -1.034 56.098 57.345 -0.355 0.000 1.175 270 W CB 0.553 29.833 29.460 -0.300 0.000 1.483 270 W HN 0.817 nan 8.180 nan 0.000 0.591 271 E N 0.819 121.188 120.200 0.281 0.000 1.896 271 E HA 0.240 4.605 4.350 0.025 0.000 0.276 271 E C 0.670 177.499 176.600 0.382 0.000 1.171 271 E CA 0.616 57.175 56.400 0.266 0.000 1.118 271 E CB -0.582 29.292 29.700 0.289 0.000 1.077 271 E HN 0.744 nan 8.360 nan 0.000 0.452 272 G N 3.164 112.142 108.800 0.298 0.000 3.453 272 G HA2 -0.036 3.939 3.960 0.025 0.000 0.263 272 G HA3 -0.036 3.939 3.960 0.025 0.000 0.263 272 G C 0.110 175.070 174.900 0.100 0.000 1.060 272 G CA -0.455 44.835 45.100 0.316 0.000 0.793 272 G HN 0.635 nan 8.290 nan 0.000 0.532 273 N N -0.287 118.477 118.700 0.106 0.000 2.738 273 N HA -0.158 4.597 4.740 0.025 0.000 0.249 273 N C -0.153 175.312 175.510 -0.076 0.000 1.047 273 N CA 1.505 54.568 53.050 0.023 0.000 0.707 273 N CB -1.451 37.052 38.487 0.026 0.000 0.937 273 N HN 0.440 nan 8.380 nan 0.000 0.545 274 T N -2.170 112.357 114.554 -0.044 0.000 3.033 274 T HA 0.196 4.561 4.350 0.025 0.000 0.362 274 T C -1.128 173.596 174.700 0.041 0.000 1.723 274 T CA -0.686 61.357 62.100 -0.094 0.000 1.110 274 T CB 0.886 69.556 68.868 -0.329 0.000 1.515 274 T HN 0.006 nan 8.240 nan 0.000 0.484 275 D N 1.650 122.059 120.400 0.015 0.000 2.349 275 D HA 0.150 4.805 4.640 0.025 0.000 0.214 275 D C 0.811 177.144 176.300 0.055 0.000 1.063 275 D CA 0.329 54.356 54.000 0.046 0.000 0.847 275 D CB 0.560 41.362 40.800 0.004 0.000 0.933 275 D HN 0.362 nan 8.370 nan 0.000 0.513 276 V N 2.425 122.348 119.914 0.014 0.000 2.400 276 V HA -0.003 4.132 4.120 0.025 0.000 0.263 276 V C 1.662 177.782 176.094 0.044 0.000 1.026 276 V CA 0.188 62.482 62.300 -0.010 0.000 1.077 276 V CB 0.172 31.957 31.823 -0.063 0.000 1.054 276 V HN -0.018 nan 8.190 nan 0.000 0.477 277 R N 2.756 123.285 120.500 0.048 0.000 2.127 277 R HA -0.208 4.147 4.340 0.025 0.000 0.238 277 R C 2.174 178.449 176.300 -0.042 0.000 1.134 277 R CA 1.739 57.883 56.100 0.075 0.000 0.975 277 R CB -0.043 30.259 30.300 0.002 0.000 0.865 277 R HN 0.829 nan 8.270 nan 0.000 0.447 278 E N 0.125 120.223 120.200 -0.169 0.000 2.160 278 E HA -0.259 4.106 4.350 0.025 0.000 0.195 278 E C 1.620 178.034 176.600 -0.310 0.000 0.991 278 E CA 1.060 57.223 56.400 -0.396 0.000 0.810 278 E CB -0.125 29.328 29.700 -0.411 0.000 0.742 278 E HN 0.403 nan 8.360 nan 0.000 0.466 279 Y N 0.141 120.234 120.300 -0.346 0.000 2.128 279 Y HA -0.300 4.265 4.550 0.025 0.000 0.284 279 Y C 1.536 177.137 175.900 -0.497 0.000 1.154 279 Y CA 2.093 59.933 58.100 -0.434 0.000 1.149 279 Y CB -0.544 37.547 38.460 -0.616 0.000 0.976 279 Y HN 0.117 nan 8.280 nan 0.000 0.505 280 Y N -0.267 119.792 120.300 -0.401 0.000 2.293 280 Y HA -0.084 4.480 4.550 0.025 0.000 0.291 280 Y C 2.632 178.390 175.900 -0.236 0.000 1.137 280 Y CA 1.016 58.749 58.100 -0.610 0.000 1.202 280 Y CB -1.062 36.979 38.460 -0.699 0.000 0.990 280 Y HN 0.247 nan 8.280 nan 0.000 0.537 281 A N 0.001 122.782 122.820 -0.065 0.000 1.898 281 A HA -0.209 4.126 4.320 0.025 0.000 0.216 281 A C 2.118 179.759 177.584 0.095 0.000 1.181 281 A CA 1.555 53.624 52.037 0.054 0.000 0.620 281 A CB -0.583 18.387 19.000 -0.050 0.000 0.819 281 A HN 0.496 nan 8.150 nan 0.000 0.442 282 Q N -0.909 118.874 119.800 -0.028 0.000 2.079 282 Q HA -0.182 4.173 4.340 0.025 0.000 0.200 282 Q C 2.235 178.237 176.000 0.004 0.000 0.974 282 Q CA 1.282 57.105 55.803 0.034 0.000 0.840 282 Q CB -0.197 28.523 28.738 -0.029 0.000 0.898 282 Q HN 0.567 nan 8.270 nan 0.000 0.430 283 Q N 0.729 120.472 119.800 -0.095 0.000 2.124 283 Q HA -0.162 4.193 4.340 0.025 0.000 0.202 283 Q C 1.887 178.060 176.000 0.288 0.000 0.977 283 Q CA 1.389 57.247 55.803 0.091 0.000 0.850 283 Q CB -0.087 28.726 28.738 0.126 0.000 0.901 283 Q HN 0.519 nan 8.270 nan 0.000 0.429 284 Q N -0.153 119.846 119.800 0.332 0.000 2.167 284 Q HA -0.030 4.325 4.340 0.025 0.000 0.202 284 Q C 2.212 178.299 176.000 0.144 0.000 0.970 284 Q CA 0.614 56.651 55.803 0.391 0.000 0.855 284 Q CB 0.024 29.056 28.738 0.490 0.000 0.911 284 Q HN 0.335 nan 8.270 nan 0.000 0.438 285 L N 0.883 122.145 121.223 0.066 0.000 2.093 285 L HA -0.176 4.179 4.340 0.025 0.000 0.208 285 L C 2.372 179.239 176.870 -0.005 0.000 1.085 285 L CA 0.844 55.658 54.840 -0.043 0.000 0.755 285 L CB -0.523 41.526 42.059 -0.016 0.000 0.904 285 L HN 0.382 nan 8.230 nan 0.000 0.435 286 N N 0.683 119.428 118.700 0.076 0.000 2.188 286 N HA -0.156 4.599 4.740 0.025 0.000 0.184 286 N C 1.999 177.629 175.510 0.199 0.000 1.018 286 N CA 0.999 54.111 53.050 0.103 0.000 0.858 286 N CB 0.121 38.691 38.487 0.139 0.000 0.989 286 N HN 0.302 nan 8.380 nan 0.000 0.426 287 L N 0.706 122.097 121.223 0.279 0.000 2.046 287 L HA -0.164 4.191 4.340 0.025 0.000 0.208 287 L C 2.555 179.691 176.870 0.444 0.000 1.077 287 L CA 0.581 55.670 54.840 0.415 0.000 0.747 287 L CB -0.457 41.928 42.059 0.545 0.000 0.896 287 L HN 0.229 nan 8.230 nan 0.000 0.432 288 L N 0.216 121.491 121.223 0.088 0.000 2.046 288 L HA -0.186 4.169 4.340 0.025 0.000 0.208 288 L C 2.203 179.165 176.870 0.154 0.000 1.077 288 L CA 1.763 56.561 54.840 -0.069 0.000 0.747 288 L CB -0.797 40.917 42.059 -0.575 0.000 0.896 288 L HN 0.233 nan 8.230 nan 0.000 0.432 289 N N -0.962 117.764 118.700 0.044 0.000 2.364 289 N HA -0.188 4.567 4.740 0.025 0.000 0.183 289 N C 1.745 177.222 175.510 -0.056 0.000 1.022 289 N CA 0.977 54.016 53.050 -0.019 0.000 0.883 289 N CB -0.406 38.024 38.487 -0.095 0.000 0.965 289 N HN 0.550 nan 8.380 nan 0.000 0.438 290 H N -1.080 117.994 119.070 0.007 0.000 2.491 290 H HA -0.011 4.560 4.556 0.025 0.000 0.290 290 H C 1.192 176.402 175.328 -0.197 0.000 1.050 290 H CA 0.800 56.770 56.048 -0.129 0.000 1.309 290 H CB 0.112 29.738 29.762 -0.226 0.000 1.392 290 H HN 0.248 nan 8.280 nan 0.000 0.554 291 F N -0.184 119.819 119.950 0.088 0.000 2.317 291 F HA -0.070 4.471 4.527 0.023 0.000 0.290 291 F C 2.778 178.517 175.800 -0.101 0.000 1.075 291 F CA 1.335 59.287 58.000 -0.080 0.000 1.380 291 F CB -0.293 38.558 39.000 -0.248 0.000 1.093 291 F HN 0.075 nan 8.300 nan 0.000 0.524 292 T N -2.661 111.989 114.554 0.159 0.000 3.067 292 T HA 0.052 4.417 4.350 0.025 0.000 0.257 292 T C 0.724 175.586 174.700 0.271 0.000 1.105 292 T CA 0.296 62.482 62.100 0.143 0.000 1.104 292 T CB -0.075 68.842 68.868 0.082 0.000 0.925 292 T HN -0.111 nan 8.240 nan 0.000 0.498 293 Q N 0.291 120.179 119.800 0.148 0.000 2.282 293 Q HA 0.706 5.061 4.340 0.025 0.000 0.260 293 Q C 1.116 176.828 176.000 -0.480 0.000 0.964 293 Q CA -0.097 55.658 55.803 -0.080 0.000 0.880 293 Q CB 1.648 30.303 28.738 -0.139 0.000 1.286 293 Q HN 0.273 nan 8.270 nan 0.000 0.445 294 A N 2.799 125.004 122.820 -1.024 0.000 1.986 294 A HA -0.208 4.127 4.320 0.025 0.000 0.220 294 A C 1.355 178.542 177.584 -0.661 0.000 1.171 294 A CA 1.709 52.835 52.037 -1.518 0.000 0.640 294 A CB -0.154 18.273 19.000 -0.955 0.000 0.811 294 A HN 0.718 nan 8.150 nan 0.000 0.451 295 E N 0.450 120.410 120.200 -0.400 0.000 2.502 295 E HA 0.097 4.462 4.350 0.025 0.000 0.194 295 E C 0.971 177.449 176.600 -0.204 0.000 1.062 295 E CA 0.491 56.745 56.400 -0.244 0.000 0.867 295 E CB -0.809 28.776 29.700 -0.191 0.000 0.888 295 E HN 0.408 nan 8.360 nan 0.000 0.510 296 G N 1.109 109.777 108.800 -0.220 0.000 2.599 296 G HA2 0.080 4.055 3.960 0.025 0.000 0.264 296 G HA3 0.080 4.055 3.960 0.025 0.000 0.264 296 G C -0.032 174.890 174.900 0.037 0.000 1.200 296 G CA -0.426 44.580 45.100 -0.158 0.000 0.896 296 G HN -0.144 nan 8.290 nan 0.000 0.536 297 D N -0.533 120.014 120.400 0.244 0.000 2.347 297 D HA 0.012 4.667 4.640 0.025 0.000 0.213 297 D C 1.626 177.847 176.300 -0.131 0.000 0.985 297 D CA 0.645 54.659 54.000 0.023 0.000 0.879 297 D CB 0.288 41.040 40.800 -0.080 0.000 0.919 297 D HN 0.218 nan 8.370 nan 0.000 0.526 298 L N 0.060 121.169 121.223 -0.191 0.000 3.202 298 L HA 0.258 4.613 4.340 0.025 0.000 0.278 298 L C 0.047 176.855 176.870 -0.103 0.000 1.268 298 L CA -0.742 53.879 54.840 -0.365 0.000 1.034 298 L CB 0.091 41.597 42.059 -0.922 0.000 1.407 298 L HN -0.195 nan 8.230 nan 0.000 0.581 299 F N 3.036 122.901 119.950 -0.141 0.000 2.604 299 F HA -0.087 4.456 4.527 0.026 0.000 0.393 299 F C 1.381 177.134 175.800 -0.078 0.000 1.043 299 F CA 0.069 58.013 58.000 -0.093 0.000 1.227 299 F CB 0.576 39.541 39.000 -0.059 0.000 1.016 299 F HN 0.182 nan 8.300 nan 0.000 0.556 300 I N 2.775 122.950 120.570 -0.657 0.000 3.854 300 I HA 0.521 4.705 4.170 0.025 0.000 0.312 300 I C 0.795 176.353 176.117 -0.931 0.000 1.273 300 I CA 0.511 61.364 61.300 -0.744 0.000 1.298 300 I CB -0.354 37.094 38.000 -0.920 0.000 1.071 300 I HN 0.765 nan 8.210 nan 0.000 0.428 301 G N 1.592 109.442 108.800 -1.584 0.000 2.627 301 G HA2 -0.150 3.825 3.960 0.025 0.000 0.680 301 G HA3 -0.150 3.825 3.960 0.025 0.000 0.680 301 G C -0.827 173.841 174.900 -0.385 0.000 1.341 301 G CA -0.248 44.285 45.100 -0.945 0.000 0.835 301 G HN 0.154 nan 8.290 nan 0.000 0.643 302 D N -0.127 120.354 120.400 0.134 0.000 2.348 302 D HA 0.027 4.682 4.640 0.025 0.000 0.216 302 D C 2.076 178.474 176.300 0.164 0.000 0.970 302 D CA 1.270 55.407 54.000 0.230 0.000 0.889 302 D CB 0.045 41.029 40.800 0.305 0.000 0.912 302 D HN 0.639 nan 8.370 nan 0.000 0.524 303 H N -1.479 117.674 119.070 0.138 0.000 2.547 303 H HA -0.009 4.561 4.556 0.024 0.000 0.266 303 H C -0.194 175.158 175.328 0.039 0.000 0.988 303 H CA 0.016 56.104 56.048 0.066 0.000 1.147 303 H CB -0.749 29.015 29.762 0.003 0.000 1.365 303 H HN 0.135 nan 8.280 nan 0.000 0.589 304 Y N 2.404 122.536 120.300 -0.279 0.000 2.319 304 Y HA 0.159 4.723 4.550 0.023 0.000 0.328 304 Y C 0.920 176.830 175.900 0.017 0.000 1.133 304 Y CA -0.284 57.745 58.100 -0.119 0.000 1.265 304 Y CB 1.006 39.373 38.460 -0.156 0.000 1.218 304 Y HN 0.033 nan 8.280 nan 0.000 0.508 305 K N 4.356 124.873 120.400 0.195 0.000 2.234 305 K HA 0.353 4.688 4.320 0.025 0.000 0.282 305 K C -1.149 175.568 176.600 0.195 0.000 1.039 305 K CA -0.501 55.857 56.287 0.118 0.000 0.928 305 K CB 0.401 32.948 32.500 0.079 0.000 1.039 305 K HN 0.512 nan 8.250 nan 0.000 0.470 306 I N 5.092 125.701 120.570 0.066 0.000 2.392 306 I HA 0.249 4.434 4.170 0.025 0.000 0.295 306 I C -0.445 175.653 176.117 -0.033 0.000 0.985 306 I CA -0.553 60.857 61.300 0.184 0.000 1.221 306 I CB 0.552 38.669 38.000 0.196 0.000 1.366 306 I HN 0.611 nan 8.210 nan 0.000 0.467 307 Y N 4.953 125.370 120.300 0.195 0.000 2.524 307 Y HA 0.503 5.068 4.550 0.026 0.000 0.344 307 Y C -0.512 175.518 175.900 0.217 0.000 1.012 307 Y CA -0.887 57.298 58.100 0.143 0.000 1.068 307 Y CB 2.463 40.950 38.460 0.046 0.000 1.249 307 Y HN 0.409 nan 8.280 nan 0.000 0.468 308 F N 2.792 122.860 119.950 0.197 0.000 2.477 308 F HA 0.540 5.082 4.527 0.025 0.000 0.335 308 F C -0.850 175.010 175.800 0.101 0.000 1.130 308 F CA -1.391 56.716 58.000 0.177 0.000 0.948 308 F CB 1.176 40.268 39.000 0.153 0.000 1.154 308 F HN 0.280 nan 8.300 nan 0.000 0.439 309 K N 5.043 125.102 120.400 -0.568 0.000 2.423 309 K HA 0.515 4.850 4.320 0.025 0.000 0.234 309 K C 0.006 176.086 176.600 -0.868 0.000 1.051 309 K CA -0.302 55.631 56.287 -0.590 0.000 1.021 309 K CB 0.554 32.812 32.500 -0.404 0.000 1.474 309 K HN 0.767 nan 8.250 nan 0.000 0.474 310 G N 1.997 110.165 108.800 -1.053 0.000 2.569 310 G HA2 0.017 3.992 3.960 0.025 0.000 0.249 310 G HA3 0.017 3.992 3.960 0.025 0.000 0.249 310 G C -0.691 174.100 174.900 -0.182 0.000 1.216 310 G CA -0.391 44.318 45.100 -0.651 0.000 0.845 310 G HN 0.714 nan 8.290 nan 0.000 0.568 311 H N 2.418 121.440 119.070 -0.081 0.000 2.815 311 H HA 0.071 4.642 4.556 0.025 0.000 0.350 311 H C -1.077 174.234 175.328 -0.028 0.000 1.080 311 H CA -1.310 54.716 56.048 -0.037 0.000 1.433 311 H CB 1.841 31.617 29.762 0.022 0.000 1.432 311 H HN 0.212 nan 8.280 nan 0.000 0.592 312 P HA -0.119 nan 4.420 nan 0.000 0.221 312 P C 0.491 177.879 177.300 0.147 0.000 1.145 312 P CA 1.283 64.372 63.100 -0.018 0.000 0.795 312 P CB 0.265 31.880 31.700 -0.142 0.000 0.775 313 R N -0.867 119.890 120.500 0.428 0.000 2.468 313 R HA 0.241 4.596 4.340 0.025 0.000 0.280 313 R C 2.263 178.633 176.300 0.117 0.000 0.963 313 R CA 0.259 56.488 56.100 0.215 0.000 1.083 313 R CB -0.293 30.107 30.300 0.167 0.000 1.200 313 R HN 0.147 nan 8.270 nan 0.000 0.541 314 G N 1.293 110.196 108.800 0.171 0.000 2.450 314 G HA2 -0.126 3.849 3.960 0.025 0.000 0.220 314 G HA3 -0.126 3.849 3.960 0.025 0.000 0.220 314 G C 1.016 175.977 174.900 0.102 0.000 1.130 314 G CA 0.787 45.965 45.100 0.131 0.000 0.760 314 G HN 0.498 nan 8.290 nan 0.000 0.557 315 G N 1.014 109.871 108.800 0.096 0.000 2.611 315 G HA2 -0.402 3.573 3.960 0.025 0.000 0.301 315 G HA3 -0.402 3.573 3.960 0.025 0.000 0.301 315 G C 1.226 176.180 174.900 0.089 0.000 1.233 315 G CA 1.106 46.249 45.100 0.073 0.000 0.993 315 G HN 0.815 nan 8.290 nan 0.000 0.553 316 E N 1.271 121.514 120.200 0.072 0.000 2.418 316 E HA 0.032 4.397 4.350 0.025 0.000 0.197 316 E C 2.611 179.283 176.600 0.118 0.000 1.026 316 E CA 1.376 57.827 56.400 0.086 0.000 0.862 316 E CB -0.172 29.566 29.700 0.063 0.000 0.799 316 E HN 0.729 nan 8.360 nan 0.000 0.518 317 I N 1.231 121.868 120.570 0.112 0.000 2.252 317 I HA -0.251 3.934 4.170 0.025 0.000 0.245 317 I C 1.855 178.092 176.117 0.201 0.000 1.102 317 I CA 0.995 62.377 61.300 0.137 0.000 1.385 317 I CB -0.320 37.751 38.000 0.118 0.000 1.064 317 I HN 0.063 nan 8.210 nan 0.000 0.414 318 N N 0.973 119.809 118.700 0.227 0.000 2.084 318 N HA -0.180 4.575 4.740 0.025 0.000 0.190 318 N C 1.422 177.024 175.510 0.153 0.000 1.030 318 N CA 1.397 54.629 53.050 0.302 0.000 0.849 318 N CB -0.535 38.184 38.487 0.386 0.000 1.012 318 N HN 0.283 nan 8.380 nan 0.000 0.423 319 D N -0.094 120.388 120.400 0.138 0.000 2.123 319 D HA -0.173 4.482 4.640 0.025 0.000 0.196 319 D C 1.836 178.167 176.300 0.052 0.000 0.992 319 D CA 0.774 54.825 54.000 0.085 0.000 0.833 319 D CB -0.524 40.328 40.800 0.085 0.000 0.954 319 D HN 0.322 nan 8.370 nan 0.000 0.455 320 Y N 1.289 121.578 120.300 -0.019 0.000 2.128 320 Y HA -0.189 4.375 4.550 0.024 0.000 0.284 320 Y C 2.267 178.110 175.900 -0.094 0.000 1.154 320 Y CA 1.364 59.440 58.100 -0.040 0.000 1.149 320 Y CB -0.356 38.091 38.460 -0.021 0.000 0.976 320 Y HN -0.083 nan 8.280 nan 0.000 0.505 321 I N -0.334 120.214 120.570 -0.037 0.000 2.208 321 I HA -0.358 3.827 4.170 0.025 0.000 0.245 321 I C 2.261 178.166 176.117 -0.354 0.000 1.097 321 I CA 1.445 62.585 61.300 -0.267 0.000 1.363 321 I CB -0.472 37.203 38.000 -0.543 0.000 1.051 321 I HN 0.271 nan 8.210 nan 0.000 0.413 322 L N 0.211 121.266 121.223 -0.280 0.000 2.093 322 L HA -0.192 4.163 4.340 0.025 0.000 0.208 322 L C 2.142 178.915 176.870 -0.162 0.000 1.085 322 L CA 1.314 56.045 54.840 -0.182 0.000 0.755 322 L CB -0.636 41.388 42.059 -0.060 0.000 0.904 322 L HN 0.296 nan 8.230 nan 0.000 0.435 323 N N -0.210 118.378 118.700 -0.188 0.000 2.494 323 N HA -0.100 4.655 4.740 0.025 0.000 0.182 323 N C 1.062 176.416 175.510 -0.258 0.000 1.076 323 N CA 0.688 53.622 53.050 -0.192 0.000 0.908 323 N CB 0.188 38.568 38.487 -0.179 0.000 0.967 323 N HN 0.227 nan 8.380 nan 0.000 0.449 324 N N -0.546 117.950 118.700 -0.341 0.000 2.197 324 N HA 0.195 4.950 4.740 0.025 0.000 0.228 324 N C -1.012 174.366 175.510 -0.219 0.000 1.212 324 N CA -0.026 52.830 53.050 -0.323 0.000 0.883 324 N CB 1.206 39.382 38.487 -0.518 0.000 1.107 324 N HN 0.094 nan 8.380 nan 0.000 0.519 325 A N 0.653 123.356 122.820 -0.194 0.000 2.317 325 A HA 0.640 4.975 4.320 0.025 0.000 0.327 325 A C 0.350 177.872 177.584 -0.104 0.000 1.178 325 A CA -0.611 51.337 52.037 -0.149 0.000 0.817 325 A CB 0.581 19.478 19.000 -0.173 0.000 1.189 325 A HN 0.170 nan 8.150 nan 0.000 0.489 326 K N 0.920 121.275 120.400 -0.075 0.000 2.316 326 K HA 0.525 4.859 4.320 0.025 0.000 0.289 326 K C 0.676 177.251 176.600 -0.042 0.000 1.070 326 K CA 0.486 56.741 56.287 -0.053 0.000 0.928 326 K CB -1.186 31.291 32.500 -0.039 0.000 1.039 326 K HN 2.491 nan 8.250 nan 0.000 0.480 327 N N 1.409 120.082 118.700 -0.044 0.000 2.725 327 N HA -0.150 4.605 4.740 0.025 0.000 0.251 327 N C 0.114 175.588 175.510 -0.059 0.000 1.031 327 N CA 1.144 54.167 53.050 -0.045 0.000 0.720 327 N CB -2.053 36.414 38.487 -0.034 0.000 0.930 327 N HN 1.131 nan 8.380 nan 0.000 0.543 328 I N 0.535 121.072 120.570 -0.055 0.000 2.385 328 I HA 0.431 4.616 4.170 0.025 0.000 0.294 328 I C 0.435 176.524 176.117 -0.048 0.000 0.988 328 I CA -0.345 60.929 61.300 -0.045 0.000 1.265 328 I CB 1.511 39.503 38.000 -0.014 0.000 1.388 328 I HN 0.378 nan 8.210 nan 0.000 0.480 329 T N 6.902 121.391 114.554 -0.108 0.000 2.744 329 T HA 0.174 4.539 4.350 0.025 0.000 0.291 329 T C -0.009 174.764 174.700 0.123 0.000 0.957 329 T CA -0.423 61.639 62.100 -0.064 0.000 1.002 329 T CB 0.269 68.974 68.868 -0.271 0.000 0.919 329 T HN 0.564 nan 8.240 nan 0.000 0.468 330 N N 3.588 122.373 118.700 0.142 0.000 2.514 330 N HA 0.249 5.004 4.740 0.025 0.000 0.277 330 N C -0.860 174.727 175.510 0.128 0.000 1.126 330 N CA -0.214 52.950 53.050 0.191 0.000 0.978 330 N CB 0.596 39.186 38.487 0.172 0.000 1.106 330 N HN 0.534 nan 8.380 nan 0.000 0.461 331 I N 4.517 125.120 120.570 0.055 0.000 2.390 331 I HA 0.272 4.457 4.170 0.025 0.000 0.283 331 I C -2.173 173.860 176.117 -0.140 0.000 1.016 331 I CA -2.115 59.142 61.300 -0.071 0.000 1.151 331 I CB 1.828 39.716 38.000 -0.187 0.000 1.293 331 I HN 0.333 nan 8.210 nan 0.000 0.458 332 P HA -0.088 nan 4.420 nan 0.000 0.264 332 P C 0.681 177.867 177.300 -0.189 0.000 1.179 332 P CA 0.285 63.316 63.100 -0.116 0.000 0.763 332 P CB 0.842 32.486 31.700 -0.093 0.000 0.806 333 A N 4.529 127.255 122.820 -0.158 0.000 1.917 333 A HA -0.263 4.072 4.320 0.025 0.000 0.219 333 A C 1.900 179.358 177.584 -0.210 0.000 1.182 333 A CA 2.093 54.017 52.037 -0.188 0.000 0.633 333 A CB -1.357 17.561 19.000 -0.137 0.000 0.819 333 A HN 0.747 nan 8.150 nan 0.000 0.448 334 N N 0.650 119.239 118.700 -0.185 0.000 2.272 334 N HA -0.141 4.613 4.740 0.025 0.000 0.185 334 N C 0.686 176.063 175.510 -0.222 0.000 1.014 334 N CA 1.178 54.114 53.050 -0.189 0.000 0.870 334 N CB -0.591 37.802 38.487 -0.157 0.000 0.975 334 N HN 0.542 nan 8.380 nan 0.000 0.433 335 I N 2.791 123.174 120.570 -0.311 0.000 2.268 335 I HA -0.005 4.180 4.170 0.025 0.000 0.298 335 I C 0.780 176.618 176.117 -0.465 0.000 1.185 335 I CA -0.453 60.561 61.300 -0.476 0.000 1.548 335 I CB -0.369 37.211 38.000 -0.700 0.000 1.492 335 I HN 0.126 nan 8.210 nan 0.000 0.711 336 S N 3.259 118.769 115.700 -0.316 0.000 2.598 336 S HA 0.144 4.629 4.470 0.025 0.000 0.256 336 S C 0.894 175.292 174.600 -0.336 0.000 1.350 336 S CA -0.176 57.865 58.200 -0.265 0.000 0.984 336 S CB 0.570 63.721 63.200 -0.082 0.000 0.930 336 S HN 0.404 nan 8.310 nan 0.000 0.577 337 F N 0.844 120.663 119.950 -0.219 0.000 2.293 337 F HA 0.061 4.603 4.527 0.025 0.000 0.300 337 F C 2.438 178.132 175.800 -0.178 0.000 1.086 337 F CA 1.364 59.218 58.000 -0.244 0.000 1.375 337 F CB -0.561 38.258 39.000 -0.303 0.000 1.045 337 F HN 0.650 nan 8.300 nan 0.000 0.516 338 E N -0.234 120.017 120.200 0.084 0.000 2.106 338 E HA -0.151 4.214 4.350 0.025 0.000 0.192 338 E C 2.328 179.026 176.600 0.165 0.000 0.984 338 E CA 1.227 57.728 56.400 0.169 0.000 0.806 338 E CB -0.389 29.453 29.700 0.237 0.000 0.750 338 E HN 0.152 nan 8.360 nan 0.000 0.458 339 V N 1.121 121.062 119.914 0.045 0.000 2.358 339 V HA -0.238 3.896 4.120 0.025 0.000 0.246 339 V C 2.178 178.274 176.094 0.003 0.000 1.047 339 V CA 1.454 63.770 62.300 0.025 0.000 1.035 339 V CB -0.403 31.341 31.823 -0.132 0.000 0.658 339 V HN 0.278 nan 8.190 nan 0.000 0.452 340 L N -1.208 119.943 121.223 -0.120 0.000 2.083 340 L HA -0.222 4.133 4.340 0.025 0.000 0.209 340 L C 2.517 179.353 176.870 -0.057 0.000 1.083 340 L CA 1.708 56.484 54.840 -0.106 0.000 0.752 340 L CB -0.491 41.435 42.059 -0.222 0.000 0.899 340 L HN 0.323 nan 8.230 nan 0.000 0.433 341 M N -1.395 118.156 119.600 -0.082 0.000 2.132 341 M HA -0.177 4.318 4.480 0.025 0.000 0.263 341 M C 2.389 178.776 176.300 0.145 0.000 1.065 341 M CA 1.450 56.655 55.300 -0.159 0.000 1.122 341 M CB -0.242 31.951 32.600 -0.679 0.000 1.365 341 M HN 0.222 nan 8.290 nan 0.000 0.411 342 M N 0.023 119.820 119.600 0.329 0.000 2.149 342 M HA -0.122 4.373 4.480 0.025 0.000 0.261 342 M C 2.170 178.513 176.300 0.072 0.000 1.064 342 M CA 1.937 57.438 55.300 0.336 0.000 1.102 342 M CB -1.494 31.288 32.600 0.304 0.000 1.369 342 M HN 0.394 nan 8.290 nan 0.000 0.408 343 T N -3.482 111.028 114.554 -0.074 0.000 3.107 343 T HA 0.360 4.725 4.350 0.025 0.000 0.249 343 T C 1.255 175.839 174.700 -0.192 0.000 1.096 343 T CA 0.552 62.374 62.100 -0.464 0.000 1.012 343 T CB -0.211 68.379 68.868 -0.464 0.000 0.977 343 T HN 0.581 nan 8.240 nan 0.000 0.527 344 G N 1.535 110.317 108.800 -0.030 0.000 2.221 344 G HA2 -0.208 3.767 3.960 0.025 0.000 0.265 344 G HA3 -0.208 3.767 3.960 0.025 0.000 0.265 344 G C 0.304 175.196 174.900 -0.013 0.000 1.041 344 G CA 0.380 45.484 45.100 0.007 0.000 0.807 344 G HN 0.603 nan 8.290 nan 0.000 0.502 345 L N -0.362 120.844 121.223 -0.027 0.000 2.965 345 L HA 0.392 4.747 4.340 0.025 0.000 0.254 345 L C 1.359 178.184 176.870 -0.076 0.000 1.220 345 L CA -0.486 54.340 54.840 -0.023 0.000 1.023 345 L CB 0.276 42.365 42.059 0.050 0.000 1.355 345 L HN 0.219 nan 8.230 nan 0.000 0.545 346 L N 1.649 122.820 121.223 -0.087 0.000 2.453 346 L HA 0.141 4.496 4.340 0.025 0.000 0.272 346 L C -1.789 175.026 176.870 -0.093 0.000 1.182 346 L CA -1.272 53.506 54.840 -0.104 0.000 0.858 346 L CB 0.734 42.730 42.059 -0.105 0.000 1.120 346 L HN -0.090 nan 8.230 nan 0.000 0.474 347 P HA 0.057 nan 4.420 nan 0.000 0.275 347 P C 0.077 177.387 177.300 0.017 0.000 1.266 347 P CA -0.458 62.597 63.100 -0.075 0.000 0.793 347 P CB 0.551 32.173 31.700 -0.130 0.000 1.074 348 D N -0.212 120.249 120.400 0.102 0.000 2.219 348 D HA -0.056 4.599 4.640 0.025 0.000 0.205 348 D C 0.230 176.645 176.300 0.192 0.000 0.970 348 D CA 1.543 55.635 54.000 0.153 0.000 0.851 348 D CB 0.312 41.238 40.800 0.209 0.000 0.943 348 D HN 0.349 nan 8.370 nan 0.000 0.488 349 K N 0.246 120.788 120.400 0.236 0.000 2.523 349 K HA 0.495 4.829 4.320 0.025 0.000 0.257 349 K C -1.336 175.301 176.600 0.062 0.000 0.932 349 K CA -0.570 55.850 56.287 0.222 0.000 0.812 349 K CB 3.600 36.314 32.500 0.355 0.000 1.326 349 K HN -0.264 nan 8.250 nan 0.000 0.433 350 V N 0.965 120.868 119.914 -0.017 0.000 2.656 350 V HA 0.824 4.959 4.120 0.025 0.000 0.307 350 V C -0.037 176.015 176.094 -0.069 0.000 1.051 350 V CA -0.639 61.517 62.300 -0.239 0.000 0.893 350 V CB 1.828 33.483 31.823 -0.281 0.000 0.999 350 V HN 0.997 nan 8.190 nan 0.000 0.426 351 G N 1.172 109.792 108.800 -0.301 0.000 2.623 351 G HA2 0.864 4.839 3.960 0.025 0.000 0.290 351 G HA3 0.864 4.839 3.960 0.025 0.000 0.290 351 G C -0.389 174.314 174.900 -0.327 0.000 1.437 351 G CA 0.411 45.453 45.100 -0.097 0.000 0.798 351 G HN 1.549 nan 8.290 nan 0.000 0.488 352 G N -1.914 106.798 108.800 -0.146 0.000 2.250 352 G HA2 0.378 4.353 3.960 0.025 0.000 0.252 352 G HA3 0.378 4.353 3.960 0.025 0.000 0.252 352 G C -0.724 174.021 174.900 -0.258 0.000 1.325 352 G CA 0.011 44.844 45.100 -0.444 0.000 1.091 352 G HN 1.568 nan 8.290 nan 0.000 0.476 353 V N 1.897 121.581 119.914 -0.384 0.000 2.585 353 V HA 0.460 4.595 4.120 0.025 0.000 0.296 353 V C 1.464 177.403 176.094 -0.259 0.000 1.035 353 V CA 0.495 62.643 62.300 -0.253 0.000 1.084 353 V CB 0.523 32.241 31.823 -0.175 0.000 0.953 353 V HN 1.803 nan 8.190 nan 0.000 0.483 354 A N 4.805 127.349 122.820 -0.460 0.000 2.406 354 A HA 0.674 5.008 4.320 0.025 0.000 0.243 354 A C 0.469 177.927 177.584 -0.210 0.000 1.082 354 A CA 0.544 52.248 52.037 -0.556 0.000 0.786 354 A CB 0.412 18.589 19.000 -1.371 0.000 1.029 354 A HN 1.586 nan 8.150 nan 0.000 0.495 355 S N -1.226 114.473 115.700 -0.002 0.000 2.622 355 S HA 0.336 4.821 4.470 0.025 0.000 0.275 355 S C 0.484 174.916 174.600 -0.280 0.000 1.112 355 S CA 0.215 58.417 58.200 0.003 0.000 0.837 355 S CB 0.300 63.490 63.200 -0.016 0.000 1.082 355 S HN 1.939 nan 8.310 nan 0.000 0.456 356 S N 1.271 116.633 115.700 -0.563 0.000 2.493 356 S HA -0.135 4.350 4.470 0.025 0.000 0.243 356 S C 1.959 176.308 174.600 -0.418 0.000 0.991 356 S CA 1.351 58.976 58.200 -0.958 0.000 0.957 356 S CB -1.215 61.686 63.200 -0.500 0.000 0.756 356 S HN 1.483 nan 8.310 nan 0.000 0.521 357 L N -1.227 119.833 121.223 -0.272 0.000 2.187 357 L HA 0.088 4.443 4.340 0.025 0.000 0.213 357 L C 2.091 178.746 176.870 -0.358 0.000 1.100 357 L CA 1.378 56.061 54.840 -0.263 0.000 0.765 357 L CB -1.623 40.244 42.059 -0.319 0.000 0.904 357 L HN 0.126 nan 8.230 nan 0.000 0.437 358 Y N -0.901 119.187 120.300 -0.354 0.000 2.403 358 Y HA -0.183 4.381 4.550 0.023 0.000 0.291 358 Y C 2.350 178.153 175.900 -0.163 0.000 1.143 358 Y CA 1.703 59.627 58.100 -0.294 0.000 1.257 358 Y CB -0.564 37.777 38.460 -0.199 0.000 0.984 358 Y HN 0.285 nan 8.280 nan 0.000 0.550 359 F N 0.240 120.123 119.950 -0.111 0.000 2.154 359 F HA -0.276 4.269 4.527 0.030 0.000 0.301 359 F C 2.176 177.927 175.800 -0.082 0.000 1.087 359 F CA 1.844 59.803 58.000 -0.068 0.000 1.274 359 F CB -0.349 38.598 39.000 -0.087 0.000 1.009 359 F HN -0.176 nan 8.300 nan 0.000 0.485 360 S N 0.406 116.033 115.700 -0.122 0.000 2.562 360 S HA 0.157 4.642 4.470 0.025 0.000 0.221 360 S C 0.727 175.159 174.600 -0.280 0.000 0.975 360 S CA -0.134 57.965 58.200 -0.169 0.000 0.918 360 S CB -0.335 62.882 63.200 0.028 0.000 0.772 360 S HN 0.120 nan 8.310 nan 0.000 0.531 361 L N 2.406 123.452 121.223 -0.295 0.000 2.417 361 L HA 0.282 4.637 4.340 0.025 0.000 0.268 361 L C -2.446 174.283 176.870 -0.235 0.000 1.158 361 L CA -2.095 52.567 54.840 -0.297 0.000 0.819 361 L CB -0.039 41.830 42.059 -0.316 0.000 1.112 361 L HN -0.105 nan 8.230 nan 0.000 0.458 362 P HA 0.039 nan 4.420 nan 0.000 0.271 362 P C 0.214 177.455 177.300 -0.098 0.000 1.216 362 P CA -0.292 62.718 63.100 -0.149 0.000 0.771 362 P CB 0.720 32.338 31.700 -0.137 0.000 0.864 363 K N 3.583 123.938 120.400 -0.075 0.000 2.077 363 K HA -0.256 4.079 4.320 0.025 0.000 0.213 363 K C 1.460 178.046 176.600 -0.024 0.000 1.051 363 K CA 1.788 58.049 56.287 -0.044 0.000 0.929 363 K CB -0.043 32.439 32.500 -0.031 0.000 0.715 363 K HN 0.480 nan 8.250 nan 0.000 0.451 364 E N 0.684 120.873 120.200 -0.018 0.000 2.338 364 E HA -0.192 4.173 4.350 0.025 0.000 0.197 364 E C 1.156 177.765 176.600 0.014 0.000 1.007 364 E CA 1.215 57.617 56.400 0.003 0.000 0.849 364 E CB -0.064 29.642 29.700 0.010 0.000 0.774 364 E HN 0.436 nan 8.360 nan 0.000 0.506 365 K N 0.409 120.804 120.400 -0.007 0.000 2.379 365 K HA 0.257 4.592 4.320 0.025 0.000 0.194 365 K C 0.723 177.335 176.600 0.019 0.000 1.031 365 K CA -0.055 56.235 56.287 0.005 0.000 1.037 365 K CB 0.500 32.976 32.500 -0.040 0.000 0.824 365 K HN 0.093 nan 8.250 nan 0.000 0.516 366 I N 2.008 122.587 120.570 0.016 0.000 2.396 366 I HA -0.062 4.123 4.170 0.025 0.000 0.289 366 I C 1.315 177.457 176.117 0.041 0.000 1.056 366 I CA -0.234 61.101 61.300 0.057 0.000 1.365 366 I CB 1.446 39.480 38.000 0.058 0.000 1.407 366 I HN 0.134 nan 8.210 nan 0.000 0.509 367 S N 5.135 120.897 115.700 0.103 0.000 2.356 367 S HA 0.189 4.673 4.470 0.025 0.000 0.179 367 S C 0.173 174.688 174.600 -0.142 0.000 0.940 367 S CA 0.062 58.316 58.200 0.089 0.000 0.955 367 S CB 0.014 63.450 63.200 0.393 0.000 0.861 367 S HN 0.635 nan 8.310 nan 0.000 0.527 368 H N 0.805 120.069 119.070 0.323 0.000 2.679 368 H HA 0.677 5.250 4.556 0.027 0.000 0.360 368 H C -0.789 174.627 175.328 0.146 0.000 1.105 368 H CA -0.639 55.550 56.048 0.235 0.000 1.196 368 H CB 1.731 31.644 29.762 0.251 0.000 1.636 368 H HN 0.608 nan 8.280 nan 0.000 0.531 369 I N 0.819 121.419 120.570 0.050 0.000 2.378 369 I HA 0.553 4.738 4.170 0.025 0.000 0.291 369 I C -0.944 175.147 176.117 -0.044 0.000 0.992 369 I CA -0.695 60.472 61.300 -0.223 0.000 1.154 369 I CB 1.276 38.930 38.000 -0.576 0.000 1.315 369 I HN 0.404 nan 8.210 nan 0.000 0.448 370 I N 6.093 126.604 120.570 -0.098 0.000 2.336 370 I HA 0.372 4.557 4.170 0.025 0.000 0.292 370 I C -0.768 175.236 176.117 -0.189 0.000 0.991 370 I CA -0.314 60.978 61.300 -0.014 0.000 1.227 370 I CB 1.183 39.214 38.000 0.051 0.000 1.366 370 I HN 0.476 nan 8.210 nan 0.000 0.466 371 F N 3.941 123.895 119.950 0.007 0.000 2.408 371 F HA 0.345 4.886 4.527 0.023 0.000 0.344 371 F C 1.063 176.782 175.800 -0.134 0.000 1.112 371 F CA -0.469 57.541 58.000 0.016 0.000 1.096 371 F CB 1.663 40.770 39.000 0.178 0.000 1.129 371 F HN 0.424 nan 8.300 nan 0.000 0.486 372 T N -0.908 113.522 114.554 -0.207 0.000 2.912 372 T HA 0.485 4.849 4.350 0.025 0.000 0.280 372 T C 0.051 174.640 174.700 -0.184 0.000 0.989 372 T CA -1.043 60.602 62.100 -0.758 0.000 0.995 372 T CB 1.274 69.343 68.868 -1.332 0.000 1.077 372 T HN 0.549 nan 8.240 nan 0.000 0.531 373 S N 1.643 117.215 115.700 -0.214 0.000 2.548 373 S HA 0.520 5.005 4.470 0.025 0.000 0.277 373 S C -0.215 174.552 174.600 0.278 0.000 1.315 373 S CA -0.828 57.591 58.200 0.365 0.000 1.050 373 S CB -0.296 63.275 63.200 0.618 0.000 0.918 373 S HN 1.075 nan 8.310 nan 0.000 0.497 374 N N 0.970 119.829 118.700 0.265 0.000 3.344 374 N HA 0.302 5.057 4.740 0.025 0.000 0.296 374 N C 0.148 175.750 175.510 0.153 0.000 1.571 374 N CA -1.155 52.006 53.050 0.185 0.000 0.844 374 N CB 0.518 39.097 38.487 0.153 0.000 1.718 374 N HN 0.458 nan 8.380 nan 0.000 0.589 375 K N -1.202 119.265 120.400 0.111 0.000 2.152 375 K HA -0.139 4.195 4.320 0.025 0.000 0.206 375 K C 0.685 177.327 176.600 0.069 0.000 1.048 375 K CA 1.837 58.174 56.287 0.083 0.000 0.933 375 K CB 0.012 32.550 32.500 0.063 0.000 0.721 375 K HN 0.496 nan 8.250 nan 0.000 0.447 376 Q N -0.744 119.099 119.800 0.073 0.000 2.373 376 Q HA 0.133 4.488 4.340 0.025 0.000 0.210 376 Q C -0.436 175.582 176.000 0.030 0.000 0.913 376 Q CA 0.286 56.115 55.803 0.044 0.000 0.911 376 Q CB 1.194 29.956 28.738 0.040 0.000 1.040 376 Q HN -0.028 nan 8.270 nan 0.000 0.521 377 V N 1.259 121.222 119.914 0.083 0.000 2.378 377 V HA 0.353 4.488 4.120 0.025 0.000 0.288 377 V C 0.098 176.261 176.094 0.115 0.000 1.016 377 V CA -0.481 61.860 62.300 0.068 0.000 0.840 377 V CB 1.692 33.616 31.823 0.169 0.000 0.994 377 V HN 0.106 nan 8.190 nan 0.000 0.431 378 K N 2.441 122.755 120.400 -0.144 0.000 2.533 378 K HA 0.343 4.678 4.320 0.025 0.000 0.202 378 K C 0.094 176.146 176.600 -0.913 0.000 1.096 378 K CA 0.040 56.198 56.287 -0.214 0.000 1.056 378 K CB 1.246 33.734 32.500 -0.020 0.000 0.890 378 K HN 0.785 nan 8.250 nan 0.000 0.552 379 S N -1.180 113.760 115.700 -1.266 0.000 2.611 379 S HA 0.221 4.706 4.470 0.025 0.000 0.268 379 S C 0.209 174.357 174.600 -0.755 0.000 1.156 379 S CA -0.979 56.537 58.200 -1.141 0.000 0.817 379 S CB 1.878 64.791 63.200 -0.478 0.000 1.122 379 S HN 0.058 nan 8.310 nan 0.000 0.466 380 K N 0.387 120.576 120.400 -0.352 0.000 2.097 380 K HA -0.103 4.232 4.320 0.025 0.000 0.206 380 K C 1.273 177.756 176.600 -0.195 0.000 1.049 380 K CA 1.933 58.143 56.287 -0.127 0.000 0.933 380 K CB -0.339 32.151 32.500 -0.017 0.000 0.717 380 K HN 0.597 nan 8.250 nan 0.000 0.442 381 E N 1.374 121.455 120.200 -0.198 0.000 2.058 381 E HA -0.192 4.172 4.350 0.025 0.000 0.194 381 E C 1.687 178.166 176.600 -0.201 0.000 0.997 381 E CA 1.640 57.938 56.400 -0.170 0.000 0.801 381 E CB -0.269 29.345 29.700 -0.143 0.000 0.746 381 E HN 0.386 nan 8.360 nan 0.000 0.450 382 D N 0.048 120.305 120.400 -0.239 0.000 2.117 382 D HA -0.088 4.566 4.640 0.025 0.000 0.198 382 D C 1.832 177.957 176.300 -0.291 0.000 0.982 382 D CA 1.424 55.291 54.000 -0.222 0.000 0.828 382 D CB -0.319 40.359 40.800 -0.205 0.000 0.967 382 D HN 0.209 nan 8.370 nan 0.000 0.464 383 A N 0.912 123.497 122.820 -0.393 0.000 1.933 383 A HA -0.118 4.216 4.320 0.025 0.000 0.218 383 A C 2.334 179.510 177.584 -0.680 0.000 1.175 383 A CA 0.834 52.414 52.037 -0.761 0.000 0.628 383 A CB -0.765 17.698 19.000 -0.895 0.000 0.814 383 A HN 0.214 nan 8.150 nan 0.000 0.444 384 L N -0.197 120.790 121.223 -0.392 0.000 2.362 384 L HA -0.093 4.262 4.340 0.025 0.000 0.219 384 L C 1.331 178.065 176.870 -0.226 0.000 1.134 384 L CA 0.521 55.200 54.840 -0.267 0.000 0.807 384 L CB -0.387 41.572 42.059 -0.166 0.000 0.927 384 L HN 0.367 nan 8.230 nan 0.000 0.447 385 N N -0.227 118.333 118.700 -0.233 0.000 2.336 385 N HA -0.040 4.715 4.740 0.025 0.000 0.189 385 N C 0.472 175.869 175.510 -0.188 0.000 1.113 385 N CA 0.073 53.019 53.050 -0.173 0.000 0.858 385 N CB -0.170 38.234 38.487 -0.138 0.000 0.970 385 N HN 0.315 nan 8.380 nan 0.000 0.471 386 N N 2.414 120.944 118.700 -0.283 0.000 2.458 386 N HA -0.011 4.744 4.740 0.025 0.000 0.258 386 N C -1.725 173.631 175.510 -0.256 0.000 1.219 386 N CA -0.993 51.876 53.050 -0.300 0.000 0.902 386 N CB 1.678 39.879 38.487 -0.476 0.000 1.076 386 N HN -0.095 nan 8.380 nan 0.000 0.455 387 P HA -0.185 nan 4.420 nan 0.000 0.214 387 P C 0.907 178.185 177.300 -0.037 0.000 1.169 387 P CA 2.011 65.070 63.100 -0.069 0.000 0.908 387 P CB -0.201 31.501 31.700 0.003 0.000 0.791 388 Y N -1.926 118.386 120.300 0.020 0.000 2.373 388 Y HA -0.015 4.549 4.550 0.023 0.000 0.293 388 Y C 1.874 177.842 175.900 0.114 0.000 1.129 388 Y CA 0.420 58.535 58.100 0.025 0.000 1.226 388 Y CB -1.857 36.617 38.460 0.025 0.000 1.000 388 Y HN -0.265 nan 8.280 nan 0.000 0.549 389 V N 1.400 121.162 119.914 -0.253 0.000 2.343 389 V HA -0.267 3.868 4.120 0.025 0.000 0.247 389 V C 2.369 178.465 176.094 0.002 0.000 1.051 389 V CA 2.203 64.457 62.300 -0.077 0.000 1.036 389 V CB -0.610 31.079 31.823 -0.223 0.000 0.654 389 V HN 0.400 nan 8.190 nan 0.000 0.451 390 K N -0.308 120.069 120.400 -0.038 0.000 2.057 390 K HA -0.134 4.201 4.320 0.025 0.000 0.207 390 K C 2.065 178.710 176.600 0.075 0.000 1.049 390 K CA 1.402 57.691 56.287 0.003 0.000 0.931 390 K CB -0.378 32.111 32.500 -0.019 0.000 0.714 390 K HN 0.347 nan 8.250 nan 0.000 0.440 391 V N 1.604 121.586 119.914 0.114 0.000 2.307 391 V HA -0.251 3.884 4.120 0.025 0.000 0.245 391 V C 2.253 178.479 176.094 0.221 0.000 1.045 391 V CA 1.678 64.087 62.300 0.181 0.000 1.024 391 V CB -0.376 31.534 31.823 0.144 0.000 0.651 391 V HN 0.336 nan 8.190 nan 0.000 0.449 392 M N -0.783 118.965 119.600 0.246 0.000 2.159 392 M HA -0.175 4.320 4.480 0.025 0.000 0.263 392 M C 2.428 178.793 176.300 0.108 0.000 1.063 392 M CA 1.826 57.237 55.300 0.186 0.000 1.110 392 M CB -0.441 32.293 32.600 0.224 0.000 1.374 392 M HN 0.215 nan 8.290 nan 0.000 0.411 393 R N -0.441 120.115 120.500 0.092 0.000 2.075 393 R HA -0.095 4.260 4.340 0.025 0.000 0.232 393 R C 2.304 178.643 176.300 0.064 0.000 1.126 393 R CA 1.195 57.330 56.100 0.058 0.000 0.963 393 R CB -0.421 29.899 30.300 0.034 0.000 0.858 393 R HN 0.354 nan 8.270 nan 0.000 0.435 394 R N 1.194 121.748 120.500 0.089 0.000 2.091 394 R HA -0.113 4.242 4.340 0.025 0.000 0.238 394 R C 1.926 178.284 176.300 0.096 0.000 1.136 394 R CA 1.357 57.516 56.100 0.098 0.000 0.959 394 R CB -0.193 30.197 30.300 0.150 0.000 0.856 394 R HN 0.196 nan 8.270 nan 0.000 0.437 395 L N -0.617 120.674 121.223 0.113 0.000 2.478 395 L HA 0.142 4.497 4.340 0.025 0.000 0.223 395 L C 1.346 178.243 176.870 0.046 0.000 1.140 395 L CA 0.654 55.545 54.840 0.086 0.000 0.842 395 L CB 0.092 42.200 42.059 0.081 0.000 0.953 395 L HN 0.660 nan 8.230 nan 0.000 0.452 396 G N 0.106 108.931 108.800 0.043 0.000 2.148 396 G HA2 -0.309 3.666 3.960 0.025 0.000 0.254 396 G HA3 -0.309 3.666 3.960 0.025 0.000 0.254 396 G C 0.836 175.744 174.900 0.013 0.000 0.981 396 G CA 0.459 45.575 45.100 0.027 0.000 0.670 396 G HN 0.362 nan 8.290 nan 0.000 0.528 397 I N 0.443 121.017 120.570 0.006 0.000 2.361 397 I HA 0.045 4.230 4.170 0.025 0.000 0.251 397 I C 1.615 177.730 176.117 -0.004 0.000 1.133 397 I CA 1.849 63.138 61.300 -0.019 0.000 1.413 397 I CB -0.191 37.774 38.000 -0.058 0.000 1.073 397 I HN 0.576 nan 8.210 nan 0.000 0.424 398 I N -3.359 117.220 120.570 0.016 0.000 2.994 398 I HA 0.530 4.714 4.170 0.025 0.000 0.306 398 I C -1.189 174.938 176.117 0.016 0.000 1.195 398 I CA -0.997 60.310 61.300 0.013 0.000 1.001 398 I CB 2.244 40.260 38.000 0.027 0.000 1.244 398 I HN -0.257 nan 8.210 nan 0.000 0.437 399 D N 1.766 122.170 120.400 0.007 0.000 2.326 399 D HA 0.248 4.902 4.640 0.025 0.000 0.251 399 D C 0.867 177.177 176.300 0.017 0.000 1.023 399 D CA -0.324 53.682 54.000 0.011 0.000 0.966 399 D CB 1.732 42.537 40.800 0.009 0.000 1.156 399 D HN 0.739 nan 8.370 nan 0.000 0.494 400 E N 0.121 120.330 120.200 0.015 0.000 2.265 400 E HA -0.186 4.179 4.350 0.025 0.000 0.196 400 E C 1.499 178.119 176.600 0.034 0.000 0.996 400 E CA 1.521 57.929 56.400 0.014 0.000 0.832 400 E CB -0.543 29.157 29.700 -0.000 0.000 0.756 400 E HN 0.266 nan 8.360 nan 0.000 0.491 401 S N -0.001 115.724 115.700 0.041 0.000 2.474 401 S HA -0.164 4.321 4.470 0.025 0.000 0.235 401 S C 1.813 176.485 174.600 0.121 0.000 0.997 401 S CA 0.829 59.072 58.200 0.071 0.000 0.949 401 S CB -0.307 62.934 63.200 0.068 0.000 0.766 401 S HN 0.386 nan 8.310 nan 0.000 0.517 402 Q N 0.480 120.321 119.800 0.068 0.000 2.424 402 Q HA 0.232 4.587 4.340 0.025 0.000 0.204 402 Q C -0.375 175.708 176.000 0.139 0.000 0.933 402 Q CA 0.156 55.988 55.803 0.048 0.000 0.929 402 Q CB 0.290 28.976 28.738 -0.087 0.000 1.037 402 Q HN 0.405 nan 8.270 nan 0.000 0.511 403 V N 2.156 122.151 119.914 0.135 0.000 2.406 403 V HA 0.274 4.409 4.120 0.025 0.000 0.272 403 V C -0.148 176.061 176.094 0.192 0.000 1.043 403 V CA -0.054 62.359 62.300 0.188 0.000 0.915 403 V CB 0.843 32.727 31.823 0.102 0.000 0.988 403 V HN 0.146 nan 8.190 nan 0.000 0.466 404 I N 5.065 125.790 120.570 0.257 0.000 2.545 404 I HA 0.415 4.599 4.170 0.025 0.000 0.292 404 I C -0.791 175.505 176.117 0.297 0.000 1.040 404 I CA -0.586 60.836 61.300 0.202 0.000 1.068 404 I CB 2.151 40.212 38.000 0.103 0.000 1.251 404 I HN 0.450 nan 8.210 nan 0.000 0.424 405 F N 6.798 126.807 119.950 0.098 0.000 2.410 405 F HA 0.193 4.734 4.527 0.024 0.000 0.348 405 F C 1.190 177.052 175.800 0.103 0.000 1.106 405 F CA -0.895 57.191 58.000 0.144 0.000 1.163 405 F CB 0.915 39.958 39.000 0.072 0.000 1.129 405 F HN 0.639 nan 8.300 nan 0.000 0.516 406 W N 5.334 126.238 121.300 -0.659 0.000 2.305 406 W HA -0.281 4.393 4.660 0.024 0.000 0.308 406 W C 1.035 177.340 176.519 -0.356 0.000 1.226 406 W CA 1.835 58.870 57.345 -0.517 0.000 1.253 406 W CB -1.252 27.820 29.460 -0.647 0.000 1.146 406 W HN 0.598 nan 8.180 nan 0.000 0.507 407 D N 1.168 120.673 120.400 -1.490 0.000 2.352 407 D HA -0.100 4.555 4.640 0.025 0.000 0.232 407 D C 1.742 177.771 176.300 -0.451 0.000 1.055 407 D CA 1.158 54.478 54.000 -1.135 0.000 0.891 407 D CB -0.684 39.489 40.800 -1.044 0.000 0.897 407 D HN 0.245 nan 8.370 nan 0.000 0.529 408 S N -0.629 114.901 115.700 -0.284 0.000 2.528 408 S HA 0.108 4.593 4.470 0.025 0.000 0.219 408 S C 0.743 175.225 174.600 -0.196 0.000 0.985 408 S CA -0.529 57.579 58.200 -0.153 0.000 0.914 408 S CB -0.356 62.806 63.200 -0.063 0.000 0.776 408 S HN 0.212 nan 8.310 nan 0.000 0.526 409 L N 3.335 124.394 121.223 -0.274 0.000 2.264 409 L HA 0.411 4.766 4.340 0.025 0.000 0.289 409 L C 0.331 177.123 176.870 -0.129 0.000 1.044 409 L CA -0.862 53.763 54.840 -0.358 0.000 0.807 409 L CB 1.163 42.859 42.059 -0.605 0.000 1.192 409 L HN 0.260 nan 8.230 nan 0.000 0.425 410 K N 2.705 123.114 120.400 0.016 0.000 2.230 410 K HA 0.183 4.518 4.320 0.025 0.000 0.253 410 K C -0.445 176.259 176.600 0.173 0.000 1.008 410 K CA -0.731 55.604 56.287 0.080 0.000 0.910 410 K CB 0.661 33.198 32.500 0.062 0.000 0.994 410 K HN 0.319 nan 8.250 nan 0.000 0.495 411 Q N 1.646 121.494 119.800 0.080 0.000 2.296 411 Q HA 0.108 4.463 4.340 0.025 0.000 0.262 411 Q C 0.604 176.613 176.000 0.015 0.000 0.981 411 Q CA 0.210 56.053 55.803 0.066 0.000 0.905 411 Q CB 1.140 29.908 28.738 0.050 0.000 1.186 411 Q HN 0.691 nan 8.270 nan 0.000 0.399 412 L N 0.858 122.061 121.223 -0.034 0.000 2.477 412 L HA 0.188 4.543 4.340 0.025 0.000 0.220 412 L C 0.943 177.772 176.870 -0.069 0.000 1.106 412 L CA 0.428 55.205 54.840 -0.105 0.000 0.851 412 L CB 0.039 41.956 42.059 -0.236 0.000 0.994 412 L HN 0.892 nan 8.230 nan 0.000 0.462 413 G N -0.327 108.451 108.800 -0.036 0.000 2.733 413 G HA2 -0.036 3.939 3.960 0.025 0.000 0.686 413 G HA3 -0.036 3.939 3.960 0.025 0.000 0.686 413 G C -0.116 174.765 174.900 -0.033 0.000 1.373 413 G CA -0.607 44.477 45.100 -0.025 0.000 0.838 413 G HN 0.354 nan 8.290 nan 0.000 0.588 414 G N 0.000 108.787 108.800 -0.022 0.000 5.446 414 G HA2 0.000 3.975 3.960 0.025 0.000 0.244 414 G HA3 0.000 3.975 3.960 0.025 0.000 0.244 414 G CA 0.000 45.084 45.100 -0.027 0.000 0.502 414 G HN 0.000 nan 8.290 nan 0.000 0.925