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 1n75_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVVTRIAPSP TGDPHVGTAY IALFNYAWAR RNGGRFIVRI EDTDRARYVP DATA SEQUENCE GAEERILAAL KWLGLSYDEG PDVGGPHGPY RQSERLPLYQ KYAEELLKRG DATA SEQUENCE WAYRAFETPE ELEQIRKEKG GYDGRARNIP PEEAEERARR GEPHVIRLKV DATA SEQUENCE PRPGTTEVKD ELRGVVVYDN QEIPDVVLLK SDGYPTYHLA NVVDDHLMGV DATA SEQUENCE TDVIRAEEWL VSTPIHVLLY RAFGWEAPRF YHMPLLRNPD KTKISKRKSH DATA SEQUENCE TSLDWYKAEG FLPEALRNYL CLMGFSMPDG REIFTLEEFI QAFTWERVSL DATA SEQUENCE GGPVFDLEKL RWMNGKYIRE VLSLEEVAER VKPFLREAGL SWESEAYLRR DATA SEQUENCE AVELMRPRFD TLKEFPEKAR YLFTEDYPVS EKAQRKLEEG LPLLKELYPR DATA SEQUENCE LRAQEEWTEA ALEALLRGFA AEKGVKLGQV AQPLRAALTG SLETPGLFEI DATA SEQUENCE LALLGKERAL RRLERALA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.267 176.300 -0.055 0.000 1.140 1 M CA 0.000 55.267 55.300 -0.054 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.047 0.000 1.302 2 V N 4.244 124.099 119.914 -0.097 0.000 2.555 2 V HA 0.415 4.526 4.120 -0.015 0.000 0.286 2 V C -0.496 175.569 176.094 -0.049 0.000 1.044 2 V CA -0.200 62.044 62.300 -0.093 0.000 1.026 2 V CB 1.182 32.841 31.823 -0.273 0.000 0.981 2 V HN 0.583 nan 8.190 nan 0.000 0.480 3 V N 4.837 124.763 119.914 0.019 0.000 2.482 3 V HA 0.549 4.660 4.120 -0.015 0.000 0.295 3 V C 0.129 176.297 176.094 0.124 0.000 1.026 3 V CA -0.413 61.923 62.300 0.059 0.000 0.856 3 V CB 2.081 33.928 31.823 0.039 0.000 1.001 3 V HN 1.033 nan 8.190 nan 0.000 0.424 4 T N 2.615 117.287 114.554 0.196 0.000 2.927 4 T HA 1.011 5.352 4.350 -0.015 0.000 0.286 4 T C -0.501 174.410 174.700 0.352 0.000 1.040 4 T CA -0.927 61.343 62.100 0.283 0.000 1.010 4 T CB 2.677 71.737 68.868 0.321 0.000 1.177 4 T HN 0.777 nan 8.240 nan 0.000 0.546 5 R N -0.350 120.365 120.500 0.359 0.000 2.747 5 R HA 0.800 5.131 4.340 -0.015 0.000 0.272 5 R C -1.418 175.083 176.300 0.334 0.000 1.032 5 R CA -1.117 55.143 56.100 0.267 0.000 0.896 5 R CB 0.147 30.523 30.300 0.126 0.000 1.253 5 R HN 1.024 nan 8.270 nan 0.000 0.461 6 I N -2.865 117.817 120.570 0.187 0.000 2.647 6 I HA 0.923 5.084 4.170 -0.015 0.000 0.295 6 I C -0.877 175.287 176.117 0.079 0.000 1.078 6 I CA -1.313 60.103 61.300 0.193 0.000 1.048 6 I CB 2.868 41.017 38.000 0.248 0.000 1.239 6 I HN 0.808 nan 8.210 nan 0.000 0.421 7 A N 5.794 128.671 122.820 0.094 0.000 3.105 7 A HA 0.632 4.943 4.320 -0.015 0.000 0.336 7 A C -2.608 175.008 177.584 0.053 0.000 1.042 7 A CA -1.252 50.828 52.037 0.070 0.000 0.851 7 A CB -0.261 18.804 19.000 0.109 0.000 1.068 7 A HN 0.618 nan 8.150 nan 0.000 0.477 8 P HA 0.291 nan 4.420 nan 0.000 0.279 8 P C -0.273 177.051 177.300 0.040 0.000 1.239 8 P CA 0.119 63.247 63.100 0.046 0.000 0.789 8 P CB 1.383 33.114 31.700 0.051 0.000 0.933 9 S N 3.534 119.257 115.700 0.037 0.000 2.457 9 S HA 0.376 4.837 4.470 -0.015 0.000 0.289 9 S C -2.206 172.414 174.600 0.034 0.000 1.163 9 S CA -1.072 57.152 58.200 0.040 0.000 1.078 9 S CB 0.529 63.745 63.200 0.026 0.000 0.987 9 S HN 0.366 nan 8.310 nan 0.000 0.482 10 P HA 0.213 nan 4.420 nan 0.000 0.225 10 P C 0.500 177.737 177.300 -0.105 0.000 1.813 10 P CA -0.304 62.769 63.100 -0.046 0.000 1.013 10 P CB -0.587 31.070 31.700 -0.070 0.000 1.961 11 T N -2.558 111.972 114.554 -0.039 0.000 3.092 11 T HA 0.548 4.890 4.350 -0.015 0.000 0.258 11 T C 0.822 175.505 174.700 -0.027 0.000 1.031 11 T CA 0.208 62.288 62.100 -0.034 0.000 0.925 11 T CB 0.299 69.174 68.868 0.012 0.000 1.036 11 T HN 0.295 nan 8.240 nan 0.000 0.544 12 G N 0.690 109.475 108.800 -0.026 0.000 2.593 12 G HA2 0.294 4.245 3.960 -0.015 0.000 0.103 12 G HA3 0.294 4.245 3.960 -0.015 0.000 0.103 12 G C -2.060 172.848 174.900 0.013 0.000 1.103 12 G CA -0.684 44.414 45.100 -0.005 0.000 1.109 12 G HN 0.220 nan 8.290 nan 0.000 0.516 13 D N 1.946 122.371 120.400 0.042 0.000 2.339 13 D HA 0.469 5.100 4.640 -0.015 0.000 0.245 13 D C -2.302 174.052 176.300 0.091 0.000 1.115 13 D CA -0.689 53.345 54.000 0.057 0.000 0.917 13 D CB 1.011 41.848 40.800 0.062 0.000 1.192 13 D HN -0.031 nan 8.370 nan 0.000 0.428 14 P HA 0.019 nan 4.420 nan 0.000 0.271 14 P C -0.171 177.236 177.300 0.178 0.000 1.233 14 P CA 0.236 63.418 63.100 0.136 0.000 0.764 14 P CB 0.267 32.044 31.700 0.128 0.000 0.825 15 H N 3.090 122.220 119.070 0.099 0.000 2.582 15 H HA 0.062 4.609 4.556 -0.014 0.000 0.345 15 H C 1.206 176.590 175.328 0.094 0.000 1.104 15 H CA 0.017 56.120 56.048 0.093 0.000 1.390 15 H CB 1.516 31.321 29.762 0.071 0.000 1.461 15 H HN 0.139 nan 8.280 nan 0.000 0.551 16 V N 4.820 124.810 119.914 0.127 0.000 2.594 16 V HA -0.144 3.967 4.120 -0.015 0.000 0.253 16 V C 2.035 178.247 176.094 0.197 0.000 1.069 16 V CA 2.335 64.682 62.300 0.079 0.000 1.082 16 V CB -0.659 31.043 31.823 -0.201 0.000 0.680 16 V HN 0.957 nan 8.190 nan 0.000 0.469 17 G N -1.058 108.027 108.800 0.475 0.000 2.422 17 G HA2 -0.208 3.743 3.960 -0.015 0.000 0.218 17 G HA3 -0.208 3.743 3.960 -0.015 0.000 0.218 17 G C 1.575 176.635 174.900 0.266 0.000 1.140 17 G CA 1.336 46.608 45.100 0.288 0.000 0.775 17 G HN 0.506 nan 8.290 nan 0.000 0.545 18 T N 1.404 116.100 114.554 0.236 0.000 2.857 18 T HA 0.104 4.445 4.350 -0.015 0.000 0.266 18 T C 2.817 177.646 174.700 0.216 0.000 1.048 18 T CA 1.243 63.463 62.100 0.199 0.000 1.139 18 T CB -0.226 68.750 68.868 0.180 0.000 0.874 18 T HN 0.350 nan 8.240 nan 0.000 0.455 19 A N 0.750 123.702 122.820 0.220 0.000 1.898 19 A HA -0.073 4.238 4.320 -0.015 0.000 0.216 19 A C 2.083 179.805 177.584 0.230 0.000 1.181 19 A CA 1.440 53.594 52.037 0.195 0.000 0.620 19 A CB -0.967 18.130 19.000 0.162 0.000 0.819 19 A HN 0.569 nan 8.150 nan 0.000 0.442 20 Y N 0.857 121.232 120.300 0.126 0.000 2.097 20 Y HA -0.214 4.327 4.550 -0.015 0.000 0.282 20 Y C 1.970 178.040 175.900 0.284 0.000 1.152 20 Y CA 1.640 59.849 58.100 0.182 0.000 1.136 20 Y CB -0.278 38.246 38.460 0.107 0.000 0.975 20 Y HN 0.229 nan 8.280 nan 0.000 0.498 21 I N 0.686 121.296 120.570 0.068 0.000 2.315 21 I HA -0.230 3.931 4.170 -0.015 0.000 0.248 21 I C 2.680 178.873 176.117 0.126 0.000 1.117 21 I CA 1.417 62.715 61.300 -0.004 0.000 1.404 21 I CB -2.026 36.031 38.000 0.094 0.000 1.071 21 I HN 0.384 nan 8.210 nan 0.000 0.419 22 A N 0.826 123.751 122.820 0.175 0.000 1.902 22 A HA -0.211 4.100 4.320 -0.015 0.000 0.217 22 A C 2.328 179.906 177.584 -0.009 0.000 1.181 22 A CA 1.429 53.581 52.037 0.192 0.000 0.623 22 A CB -0.905 18.265 19.000 0.283 0.000 0.818 22 A HN 0.377 nan 8.150 nan 0.000 0.443 23 L N -1.386 119.860 121.223 0.038 0.000 2.012 23 L HA -0.120 4.211 4.340 -0.015 0.000 0.210 23 L C 2.138 178.934 176.870 -0.124 0.000 1.073 23 L CA 2.096 56.903 54.840 -0.055 0.000 0.748 23 L CB -0.741 41.285 42.059 -0.055 0.000 0.891 23 L HN 0.342 nan 8.230 nan 0.000 0.431 24 F N -0.257 119.641 119.950 -0.088 0.000 2.325 24 F HA -0.105 4.413 4.527 -0.015 0.000 0.299 24 F C 2.460 178.107 175.800 -0.255 0.000 1.090 24 F CA 1.103 58.994 58.000 -0.182 0.000 1.392 24 F CB -0.680 38.262 39.000 -0.095 0.000 1.053 24 F HN 0.227 nan 8.300 nan 0.000 0.521 25 N N -0.755 117.917 118.700 -0.046 0.000 2.171 25 N HA -0.224 4.507 4.740 -0.015 0.000 0.184 25 N C 1.913 177.164 175.510 -0.432 0.000 1.021 25 N CA 1.127 54.113 53.050 -0.106 0.000 0.854 25 N CB -0.529 37.974 38.487 0.026 0.000 0.994 25 N HN 0.342 nan 8.380 nan 0.000 0.426 26 Y N 1.762 121.507 120.300 -0.925 0.000 2.145 26 Y HA -0.141 4.400 4.550 -0.014 0.000 0.286 26 Y C 2.353 177.958 175.900 -0.491 0.000 1.145 26 Y CA 1.855 59.415 58.100 -0.900 0.000 1.148 26 Y CB -0.351 37.655 38.460 -0.756 0.000 0.981 26 Y HN 0.038 nan 8.280 nan 0.000 0.507 27 A N 0.745 123.301 122.820 -0.440 0.000 1.898 27 A HA -0.233 4.079 4.320 -0.015 0.000 0.216 27 A C 2.318 179.467 177.584 -0.725 0.000 1.181 27 A CA 1.426 53.057 52.037 -0.675 0.000 0.620 27 A CB -1.753 16.642 19.000 -1.008 0.000 0.819 27 A HN 0.876 nan 8.150 nan 0.000 0.442 28 W N 0.571 121.322 121.300 -0.914 0.000 2.363 28 W HA -0.169 4.482 4.660 -0.015 0.000 0.296 28 W C 2.278 178.601 176.519 -0.326 0.000 1.212 28 W CA 1.437 58.425 57.345 -0.594 0.000 1.260 28 W CB -0.012 29.265 29.460 -0.305 0.000 1.131 28 W HN 0.438 nan 8.180 nan 0.000 0.530 29 A N 0.968 123.579 122.820 -0.349 0.000 1.855 29 A HA -0.179 4.132 4.320 -0.015 0.000 0.215 29 A C 1.976 179.310 177.584 -0.417 0.000 1.191 29 A CA 1.299 53.120 52.037 -0.360 0.000 0.613 29 A CB -0.849 18.043 19.000 -0.180 0.000 0.829 29 A HN 0.136 nan 8.150 nan 0.000 0.442 30 R N -0.546 119.653 120.500 -0.501 0.000 2.096 30 R HA -0.088 4.243 4.340 -0.015 0.000 0.235 30 R C 2.148 178.230 176.300 -0.363 0.000 1.127 30 R CA 1.571 57.398 56.100 -0.455 0.000 0.968 30 R CB -0.799 29.137 30.300 -0.608 0.000 0.861 30 R HN 0.530 nan 8.270 nan 0.000 0.440 31 R N 1.351 121.616 120.500 -0.393 0.000 2.152 31 R HA 0.001 4.333 4.340 -0.015 0.000 0.232 31 R C 1.017 177.120 176.300 -0.327 0.000 1.117 31 R CA 1.347 57.264 56.100 -0.305 0.000 0.981 31 R CB -0.247 29.915 30.300 -0.231 0.000 0.870 31 R HN 0.170 nan 8.270 nan 0.000 0.451 32 N N -0.393 118.037 118.700 -0.451 0.000 2.230 32 N HA 0.111 4.843 4.740 -0.015 0.000 0.202 32 N C 0.128 175.472 175.510 -0.278 0.000 1.119 32 N CA 0.786 53.587 53.050 -0.415 0.000 0.851 32 N CB 0.994 39.103 38.487 -0.630 0.000 0.990 32 N HN 0.414 nan 8.380 nan 0.000 0.497 33 G N 0.601 109.255 108.800 -0.243 0.000 2.203 33 G HA2 -0.247 3.704 3.960 -0.015 0.000 0.263 33 G HA3 -0.247 3.704 3.960 -0.015 0.000 0.263 33 G C 0.581 175.387 174.900 -0.158 0.000 1.012 33 G CA 0.528 45.523 45.100 -0.176 0.000 0.749 33 G HN 0.542 nan 8.290 nan 0.000 0.512 34 G N -1.024 107.661 108.800 -0.192 0.000 2.695 34 G HA2 0.727 4.679 3.960 -0.015 0.000 0.213 34 G HA3 0.727 4.679 3.960 -0.015 0.000 0.213 34 G C 0.056 174.905 174.900 -0.085 0.000 1.406 34 G CA -0.865 44.153 45.100 -0.136 0.000 1.049 34 G HN 0.529 nan 8.290 nan 0.000 0.573 35 R N -1.298 119.185 120.500 -0.028 0.000 2.740 35 R HA 0.501 4.832 4.340 -0.015 0.000 0.282 35 R C -1.742 174.652 176.300 0.156 0.000 0.969 35 R CA -0.597 55.531 56.100 0.046 0.000 0.918 35 R CB 2.581 32.908 30.300 0.046 0.000 1.175 35 R HN 0.427 nan 8.270 nan 0.000 0.464 36 F N 4.690 124.652 119.950 0.019 0.000 2.477 36 F HA 0.540 5.058 4.527 -0.015 0.000 0.335 36 F C -0.591 175.279 175.800 0.117 0.000 1.130 36 F CA -1.041 57.006 58.000 0.079 0.000 0.948 36 F CB 0.937 40.013 39.000 0.127 0.000 1.154 36 F HN 0.453 nan 8.300 nan 0.000 0.439 37 I N 4.529 124.960 120.570 -0.232 0.000 2.740 37 I HA 0.752 4.913 4.170 -0.015 0.000 0.303 37 I C -1.689 174.119 176.117 -0.515 0.000 1.044 37 I CA -1.126 59.979 61.300 -0.324 0.000 1.064 37 I CB 2.013 39.983 38.000 -0.050 0.000 1.249 37 I HN 0.276 nan 8.210 nan 0.000 0.433 38 V N 4.437 124.053 119.914 -0.496 0.000 2.417 38 V HA 0.541 4.652 4.120 -0.015 0.000 0.291 38 V C -0.137 175.862 176.094 -0.158 0.000 1.024 38 V CA -0.526 61.497 62.300 -0.462 0.000 0.861 38 V CB 1.533 32.862 31.823 -0.823 0.000 0.985 38 V HN 0.794 nan 8.190 nan 0.000 0.436 39 R N 4.982 125.457 120.500 -0.041 0.000 2.476 39 R HA 0.527 4.858 4.340 -0.015 0.000 0.305 39 R C -1.220 175.108 176.300 0.046 0.000 0.965 39 R CA -0.735 55.413 56.100 0.079 0.000 0.867 39 R CB 1.193 31.554 30.300 0.101 0.000 1.176 39 R HN 0.562 nan 8.270 nan 0.000 0.447 40 I N 3.689 124.298 120.570 0.064 0.000 2.396 40 I HA 0.078 4.239 4.170 -0.015 0.000 0.289 40 I C 0.550 176.718 176.117 0.084 0.000 1.056 40 I CA 0.297 61.636 61.300 0.066 0.000 1.365 40 I CB 1.187 39.236 38.000 0.082 0.000 1.407 40 I HN 0.710 nan 8.210 nan 0.000 0.509 41 E N 6.723 126.968 120.200 0.076 0.000 1.932 41 E HA 0.070 4.411 4.350 -0.015 0.000 0.259 41 E C -0.615 176.044 176.600 0.097 0.000 1.099 41 E CA -0.319 56.126 56.400 0.076 0.000 0.970 41 E CB 0.263 29.997 29.700 0.056 0.000 1.143 41 E HN 0.526 nan 8.360 nan 0.000 0.441 42 D N 2.429 122.907 120.400 0.130 0.000 2.894 42 D HA -0.036 4.595 4.640 -0.015 0.000 0.273 42 D C 1.066 177.474 176.300 0.179 0.000 1.328 42 D CA -0.251 53.860 54.000 0.185 0.000 0.845 42 D CB 0.394 41.342 40.800 0.247 0.000 1.072 42 D HN 0.317 nan 8.370 nan 0.000 0.484 43 T N -3.733 110.916 114.554 0.159 0.000 3.014 43 T HA -0.114 4.227 4.350 -0.015 0.000 0.263 43 T C 0.867 175.635 174.700 0.113 0.000 1.078 43 T CA 0.161 62.404 62.100 0.239 0.000 1.135 43 T CB -0.242 68.754 68.868 0.212 0.000 0.895 43 T HN 0.024 nan 8.240 nan 0.000 0.480 44 D N 2.981 123.416 120.400 0.060 0.000 2.429 44 D HA 0.010 4.642 4.640 -0.015 0.000 0.253 44 D C 1.429 177.737 176.300 0.013 0.000 1.294 44 D CA -0.422 53.576 54.000 -0.004 0.000 1.063 44 D CB 0.232 41.045 40.800 0.022 0.000 1.096 44 D HN 0.545 nan 8.370 nan 0.000 0.516 45 R N 2.417 122.856 120.500 -0.101 0.000 2.339 45 R HA 0.091 4.422 4.340 -0.015 0.000 0.199 45 R C 1.101 177.387 176.300 -0.023 0.000 1.018 45 R CA 0.542 56.599 56.100 -0.072 0.000 1.036 45 R CB 0.037 30.222 30.300 -0.191 0.000 0.899 45 R HN 0.239 nan 8.270 nan 0.000 0.473 46 A N 1.447 124.255 122.820 -0.020 0.000 1.973 46 A HA 0.151 4.462 4.320 -0.015 0.000 0.210 46 A C 1.821 179.427 177.584 0.037 0.000 1.200 46 A CA -0.050 51.985 52.037 -0.003 0.000 0.707 46 A CB 0.205 19.188 19.000 -0.029 0.000 0.862 46 A HN 0.219 nan 8.150 nan 0.000 0.461 47 R N -1.785 118.746 120.500 0.051 0.000 2.362 47 R HA 0.154 4.485 4.340 -0.015 0.000 0.227 47 R C -0.374 175.970 176.300 0.073 0.000 0.905 47 R CA -0.402 55.729 56.100 0.051 0.000 1.067 47 R CB -0.064 30.255 30.300 0.032 0.000 1.078 47 R HN 0.549 nan 8.270 nan 0.000 0.516 48 Y N 1.399 121.702 120.300 0.004 0.000 2.712 48 Y HA -0.023 4.518 4.550 -0.015 0.000 0.333 48 Y C -0.324 175.587 175.900 0.019 0.000 1.225 48 Y CA 0.216 58.326 58.100 0.016 0.000 1.499 48 Y CB 0.603 39.074 38.460 0.019 0.000 1.288 48 Y HN -0.297 nan 8.280 nan 0.000 0.575 49 V N 8.890 128.381 119.914 -0.704 0.000 2.443 49 V HA 0.296 4.407 4.120 -0.015 0.000 0.293 49 V C -2.323 173.399 176.094 -0.621 0.000 1.021 49 V CA -2.174 59.861 62.300 -0.441 0.000 0.848 49 V CB 1.527 33.212 31.823 -0.230 0.000 0.998 49 V HN 0.717 nan 8.190 nan 0.000 0.424 50 P HA 0.271 nan 4.420 nan 0.000 0.266 50 P C 1.005 178.265 177.300 -0.066 0.000 1.215 50 P CA 1.309 64.384 63.100 -0.042 0.000 0.763 50 P CB 0.647 32.411 31.700 0.106 0.000 0.806 51 G N 3.245 112.017 108.800 -0.046 0.000 2.213 51 G HA2 -0.310 3.641 3.960 -0.015 0.000 0.236 51 G HA3 -0.310 3.641 3.960 -0.015 0.000 0.236 51 G C 1.168 176.038 174.900 -0.050 0.000 0.991 51 G CA 0.317 45.402 45.100 -0.025 0.000 0.629 51 G HN 0.612 nan 8.290 nan 0.000 0.517 52 A N 0.433 123.180 122.820 -0.122 0.000 1.898 52 A HA 0.155 4.466 4.320 -0.015 0.000 0.216 52 A C 1.952 179.506 177.584 -0.049 0.000 1.181 52 A CA 2.375 54.351 52.037 -0.102 0.000 0.620 52 A CB -0.410 18.482 19.000 -0.181 0.000 0.819 52 A HN 0.726 nan 8.150 nan 0.000 0.442 53 E N -0.147 120.027 120.200 -0.043 0.000 2.031 53 E HA -0.262 4.079 4.350 -0.015 0.000 0.193 53 E C 1.862 178.481 176.600 0.031 0.000 0.994 53 E CA 1.625 58.035 56.400 0.017 0.000 0.800 53 E CB -0.131 29.608 29.700 0.065 0.000 0.752 53 E HN 0.606 nan 8.360 nan 0.000 0.447 54 E N 0.373 120.593 120.200 0.034 0.000 2.085 54 E HA -0.178 4.163 4.350 -0.015 0.000 0.194 54 E C 2.172 178.797 176.600 0.041 0.000 0.994 54 E CA 1.320 57.745 56.400 0.043 0.000 0.801 54 E CB -0.108 29.615 29.700 0.037 0.000 0.743 54 E HN 0.222 nan 8.360 nan 0.000 0.453 55 R N 0.001 120.515 120.500 0.024 0.000 2.092 55 R HA -0.026 4.305 4.340 -0.015 0.000 0.231 55 R C 2.332 178.663 176.300 0.053 0.000 1.119 55 R CA 1.172 57.287 56.100 0.025 0.000 0.970 55 R CB -0.313 29.992 30.300 0.009 0.000 0.864 55 R HN 0.219 nan 8.270 nan 0.000 0.440 56 I N 0.703 121.307 120.570 0.056 0.000 2.252 56 I HA -0.256 3.905 4.170 -0.015 0.000 0.245 56 I C 2.142 178.318 176.117 0.097 0.000 1.102 56 I CA 1.165 62.513 61.300 0.080 0.000 1.385 56 I CB -0.199 37.838 38.000 0.062 0.000 1.064 56 I HN 0.142 nan 8.210 nan 0.000 0.414 57 L N 0.571 121.844 121.223 0.084 0.000 2.046 57 L HA -0.196 4.135 4.340 -0.015 0.000 0.208 57 L C 2.879 179.857 176.870 0.180 0.000 1.077 57 L CA 1.377 56.295 54.840 0.130 0.000 0.747 57 L CB -0.764 41.372 42.059 0.129 0.000 0.896 57 L HN 0.235 nan 8.230 nan 0.000 0.432 58 A N 0.075 122.975 122.820 0.133 0.000 1.902 58 A HA -0.164 4.148 4.320 -0.015 0.000 0.217 58 A C 2.533 180.228 177.584 0.186 0.000 1.181 58 A CA 1.720 53.835 52.037 0.130 0.000 0.623 58 A CB -0.666 18.375 19.000 0.068 0.000 0.818 58 A HN 0.405 nan 8.150 nan 0.000 0.443 59 A N -0.227 122.702 122.820 0.182 0.000 1.933 59 A HA -0.026 4.285 4.320 -0.015 0.000 0.218 59 A C 2.152 179.930 177.584 0.325 0.000 1.175 59 A CA 1.443 53.649 52.037 0.280 0.000 0.628 59 A CB -0.573 18.561 19.000 0.223 0.000 0.814 59 A HN 0.480 nan 8.150 nan 0.000 0.444 60 L N -0.841 120.526 121.223 0.241 0.000 2.046 60 L HA -0.204 4.127 4.340 -0.015 0.000 0.208 60 L C 2.535 179.510 176.870 0.176 0.000 1.077 60 L CA 1.780 56.747 54.840 0.212 0.000 0.747 60 L CB -0.464 41.743 42.059 0.246 0.000 0.896 60 L HN 0.368 nan 8.230 nan 0.000 0.432 61 K N -1.046 119.475 120.400 0.202 0.000 2.103 61 K HA -0.213 4.098 4.320 -0.015 0.000 0.204 61 K C 1.895 178.582 176.600 0.146 0.000 1.052 61 K CA 1.425 57.791 56.287 0.133 0.000 0.945 61 K CB -0.298 32.274 32.500 0.121 0.000 0.722 61 K HN 0.280 nan 8.250 nan 0.000 0.443 62 W N 1.886 123.201 121.300 0.024 0.000 2.363 62 W HA -0.126 4.525 4.660 -0.015 0.000 0.296 62 W C 1.231 177.749 176.519 -0.002 0.000 1.212 62 W CA 1.153 58.508 57.345 0.017 0.000 1.260 62 W CB -0.229 29.253 29.460 0.036 0.000 1.131 62 W HN -0.085 nan 8.180 nan 0.000 0.530 63 L N 0.613 121.773 121.223 -0.104 0.000 2.456 63 L HA 0.081 4.412 4.340 -0.015 0.000 0.224 63 L C 2.038 178.740 176.870 -0.280 0.000 1.148 63 L CA 1.212 55.854 54.840 -0.331 0.000 0.825 63 L CB -0.913 41.056 42.059 -0.150 0.000 0.937 63 L HN 0.383 nan 8.230 nan 0.000 0.450 64 G N -0.624 108.065 108.800 -0.185 0.000 2.179 64 G HA2 -0.213 3.739 3.960 -0.015 0.000 0.220 64 G HA3 -0.213 3.739 3.960 -0.015 0.000 0.220 64 G C 0.187 174.947 174.900 -0.234 0.000 0.990 64 G CA -0.356 44.638 45.100 -0.177 0.000 0.646 64 G HN 0.160 nan 8.290 nan 0.000 0.517 65 L N 0.485 121.548 121.223 -0.266 0.000 2.439 65 L HA 0.791 5.122 4.340 -0.015 0.000 0.259 65 L C 0.775 177.544 176.870 -0.168 0.000 1.129 65 L CA -0.245 54.305 54.840 -0.484 0.000 0.803 65 L CB 1.640 43.488 42.059 -0.351 0.000 1.161 65 L HN 0.222 nan 8.230 nan 0.000 0.462 66 S N -0.646 115.032 115.700 -0.037 0.000 2.579 66 S HA 0.716 5.177 4.470 -0.015 0.000 0.272 66 S C -1.517 173.325 174.600 0.405 0.000 1.141 66 S CA -0.557 57.705 58.200 0.104 0.000 0.843 66 S CB 1.437 64.691 63.200 0.089 0.000 1.122 66 S HN 0.426 nan 8.310 nan 0.000 0.468 67 Y N 0.211 120.623 120.300 0.186 0.000 2.605 67 Y HA 0.679 5.221 4.550 -0.015 0.000 0.343 67 Y C 0.031 175.931 175.900 0.000 0.000 1.036 67 Y CA -1.031 57.124 58.100 0.092 0.000 1.065 67 Y CB 0.624 38.940 38.460 -0.239 0.000 1.288 67 Y HN 0.437 nan 8.280 nan 0.000 0.481 68 D N -0.027 120.448 120.400 0.125 0.000 2.388 68 D HA 0.121 4.752 4.640 -0.015 0.000 0.208 68 D C -0.536 175.738 176.300 -0.044 0.000 1.035 68 D CA 0.579 54.590 54.000 0.019 0.000 0.875 68 D CB 0.800 41.621 40.800 0.034 0.000 0.984 68 D HN 0.726 nan 8.370 nan 0.000 0.508 69 E N -0.413 119.738 120.200 -0.081 0.000 2.331 69 E HA 0.642 4.983 4.350 -0.015 0.000 0.275 69 E C -0.395 175.898 176.600 -0.512 0.000 0.895 69 E CA -0.833 55.344 56.400 -0.372 0.000 0.753 69 E CB 2.916 32.382 29.700 -0.391 0.000 1.216 69 E HN 0.069 nan 8.360 nan 0.000 0.434 70 G N 1.343 109.670 108.800 -0.787 0.000 2.342 70 G HA2 0.207 4.158 3.960 -0.015 0.000 0.297 70 G HA3 0.207 4.158 3.960 -0.015 0.000 0.297 70 G C -2.666 172.090 174.900 -0.241 0.000 1.313 70 G CA -0.827 43.974 45.100 -0.497 0.000 0.830 70 G HN 0.266 nan 8.290 nan 0.000 0.506 71 P HA -0.013 nan 4.420 nan 0.000 0.215 71 P C 1.235 178.580 177.300 0.075 0.000 1.157 71 P CA 2.032 65.185 63.100 0.088 0.000 0.868 71 P CB 0.148 31.894 31.700 0.076 0.000 0.788 72 D N -0.948 119.501 120.400 0.082 0.000 2.162 72 D HA -0.066 4.565 4.640 -0.015 0.000 0.205 72 D C 2.009 178.337 176.300 0.047 0.000 0.964 72 D CA 0.704 54.749 54.000 0.076 0.000 0.847 72 D CB -1.351 39.507 40.800 0.097 0.000 0.988 72 D HN 0.063 nan 8.370 nan 0.000 0.480 73 V N -0.061 119.881 119.914 0.045 0.000 2.719 73 V HA 0.271 4.382 4.120 -0.015 0.000 0.252 73 V C 1.196 177.265 176.094 -0.041 0.000 1.065 73 V CA 1.721 64.011 62.300 -0.016 0.000 1.086 73 V CB -0.808 30.983 31.823 -0.053 0.000 0.700 73 V HN 0.671 nan 8.190 nan 0.000 0.467 74 G N -0.791 107.971 108.800 -0.063 0.000 2.615 74 G HA2 0.372 4.323 3.960 -0.015 0.000 0.218 74 G HA3 0.372 4.323 3.960 -0.015 0.000 0.218 74 G C 0.277 175.091 174.900 -0.143 0.000 1.339 74 G CA -0.527 44.557 45.100 -0.028 0.000 0.884 74 G HN 1.931 nan 8.290 nan 0.000 0.559 75 G N -2.229 106.602 108.800 0.052 0.000 2.339 75 G HA2 0.713 4.664 3.960 -0.015 0.000 0.302 75 G HA3 0.713 4.664 3.960 -0.015 0.000 0.302 75 G C -1.632 173.341 174.900 0.123 0.000 1.425 75 G CA 0.759 45.897 45.100 0.064 0.000 0.899 75 G HN 1.126 nan 8.290 nan 0.000 0.619 76 P HA 0.094 nan 4.420 nan 0.000 0.236 76 P C 0.082 177.141 177.300 -0.402 0.000 1.177 76 P CA 0.880 63.803 63.100 -0.294 0.000 0.773 76 P CB 0.203 31.612 31.700 -0.485 0.000 0.878 77 H N -0.494 118.627 119.070 0.085 0.000 2.505 77 H HA 0.405 4.952 4.556 -0.015 0.000 0.260 77 H C 1.128 176.203 175.328 -0.422 0.000 1.168 77 H CA -0.393 55.593 56.048 -0.103 0.000 0.945 77 H CB 0.225 29.936 29.762 -0.085 0.000 1.800 77 H HN 0.076 nan 8.280 nan 0.000 0.586 78 G N 1.419 109.989 108.800 -0.384 0.000 2.535 78 G HA2 0.307 4.258 3.960 -0.015 0.000 0.282 78 G HA3 0.307 4.258 3.960 -0.015 0.000 0.282 78 G C -1.992 172.702 174.900 -0.343 0.000 1.350 78 G CA -0.987 43.670 45.100 -0.738 0.000 1.039 78 G HN 0.066 nan 8.290 nan 0.000 0.509 79 P HA 0.150 nan 4.420 nan 0.000 0.270 79 P C -0.817 176.257 177.300 -0.376 0.000 1.223 79 P CA 0.152 63.132 63.100 -0.199 0.000 0.785 79 P CB 0.330 31.975 31.700 -0.091 0.000 0.923 80 Y N -0.176 120.126 120.300 0.003 0.000 2.658 80 Y HA 0.264 4.805 4.550 -0.015 0.000 0.276 80 Y C 0.887 176.793 175.900 0.010 0.000 1.167 80 Y CA 0.027 58.127 58.100 0.001 0.000 1.230 80 Y CB 0.324 38.777 38.460 -0.013 0.000 1.144 80 Y HN 0.011 nan 8.280 nan 0.000 0.529 81 R N 0.486 121.041 120.500 0.092 0.000 2.513 81 R HA 0.229 4.561 4.340 -0.015 0.000 0.301 81 R C 0.496 176.844 176.300 0.079 0.000 0.968 81 R CA -0.422 55.734 56.100 0.092 0.000 0.872 81 R CB 1.521 31.874 30.300 0.088 0.000 1.177 81 R HN 0.351 nan 8.270 nan 0.000 0.444 82 Q N 0.470 120.338 119.800 0.114 0.000 2.226 82 Q HA -0.130 4.201 4.340 -0.015 0.000 0.204 82 Q C 1.591 177.698 176.000 0.177 0.000 0.975 82 Q CA 1.850 57.765 55.803 0.187 0.000 0.866 82 Q CB 0.132 28.968 28.738 0.163 0.000 0.915 82 Q HN 0.654 nan 8.270 nan 0.000 0.440 83 S N 0.432 116.198 115.700 0.110 0.000 2.474 83 S HA -0.107 4.354 4.470 -0.015 0.000 0.235 83 S C 1.231 175.837 174.600 0.010 0.000 0.997 83 S CA 0.748 58.987 58.200 0.065 0.000 0.949 83 S CB -0.010 63.226 63.200 0.062 0.000 0.766 83 S HN 0.370 nan 8.310 nan 0.000 0.517 84 E N 1.060 121.267 120.200 0.010 0.000 2.463 84 E HA 0.125 4.466 4.350 -0.015 0.000 0.193 84 E C 0.992 177.548 176.600 -0.074 0.000 1.041 84 E CA -0.121 56.263 56.400 -0.028 0.000 0.879 84 E CB 0.197 29.888 29.700 -0.016 0.000 0.997 84 E HN 0.678 nan 8.360 nan 0.000 0.478 85 R N 0.235 120.681 120.500 -0.090 0.000 2.616 85 R HA 0.250 4.581 4.340 -0.015 0.000 0.427 85 R C 1.237 177.312 176.300 -0.375 0.000 1.030 85 R CA -0.150 55.803 56.100 -0.246 0.000 1.133 85 R CB -0.237 29.864 30.300 -0.332 0.000 1.444 85 R HN 0.050 nan 8.270 nan 0.000 0.578 86 L N 1.053 122.187 121.223 -0.147 0.000 2.081 86 L HA -0.122 4.209 4.340 -0.015 0.000 0.212 86 L C -0.611 176.184 176.870 -0.125 0.000 1.080 86 L CA 1.746 56.542 54.840 -0.073 0.000 0.754 86 L CB -1.402 40.540 42.059 -0.195 0.000 0.893 86 L HN 0.106 nan 8.230 nan 0.000 0.433 87 P HA -0.154 nan 4.420 nan 0.000 0.218 87 P C 1.955 179.170 177.300 -0.142 0.000 1.149 87 P CA 1.186 64.213 63.100 -0.121 0.000 0.817 87 P CB 0.110 31.744 31.700 -0.109 0.000 0.785 88 L N -2.309 118.761 121.223 -0.255 0.000 2.017 88 L HA -0.210 4.121 4.340 -0.015 0.000 0.208 88 L C 2.391 179.231 176.870 -0.048 0.000 1.073 88 L CA 1.664 56.381 54.840 -0.205 0.000 0.745 88 L CB -1.008 40.851 42.059 -0.332 0.000 0.894 88 L HN 0.017 nan 8.230 nan 0.000 0.432 89 Y N 0.131 120.492 120.300 0.102 0.000 2.224 89 Y HA -0.246 4.295 4.550 -0.015 0.000 0.289 89 Y C 2.721 178.682 175.900 0.102 0.000 1.146 89 Y CA 0.868 59.035 58.100 0.112 0.000 1.182 89 Y CB -0.884 37.590 38.460 0.024 0.000 0.983 89 Y HN 0.249 nan 8.280 nan 0.000 0.524 90 Q N 0.399 120.292 119.800 0.155 0.000 2.079 90 Q HA -0.166 4.165 4.340 -0.015 0.000 0.200 90 Q C 2.042 178.077 176.000 0.059 0.000 0.974 90 Q CA 1.546 57.402 55.803 0.088 0.000 0.840 90 Q CB -0.233 28.523 28.738 0.029 0.000 0.898 90 Q HN 0.472 nan 8.270 nan 0.000 0.430 91 K N -0.177 120.221 120.400 -0.004 0.000 2.097 91 K HA -0.135 4.176 4.320 -0.015 0.000 0.205 91 K C 1.767 178.296 176.600 -0.119 0.000 1.050 91 K CA 1.207 57.434 56.287 -0.100 0.000 0.938 91 K CB -0.075 32.293 32.500 -0.220 0.000 0.718 91 K HN 0.226 nan 8.250 nan 0.000 0.442 92 Y N 0.625 120.971 120.300 0.076 0.000 2.314 92 Y HA -0.124 4.417 4.550 -0.015 0.000 0.293 92 Y C 2.429 178.473 175.900 0.241 0.000 1.129 92 Y CA 0.850 59.040 58.100 0.151 0.000 1.201 92 Y CB -0.101 38.398 38.460 0.065 0.000 0.999 92 Y HN 0.079 nan 8.280 nan 0.000 0.541 93 A N 0.308 123.302 122.820 0.291 0.000 1.930 93 A HA -0.188 4.124 4.320 -0.015 0.000 0.217 93 A C 1.987 179.647 177.584 0.127 0.000 1.175 93 A CA 1.711 53.862 52.037 0.191 0.000 0.627 93 A CB -0.484 18.598 19.000 0.137 0.000 0.815 93 A HN 0.495 nan 8.150 nan 0.000 0.443 94 E N -0.641 119.618 120.200 0.098 0.000 2.110 94 E HA -0.223 4.119 4.350 -0.015 0.000 0.193 94 E C 1.970 178.610 176.600 0.066 0.000 0.988 94 E CA 1.227 57.666 56.400 0.065 0.000 0.804 94 E CB -0.104 29.616 29.700 0.034 0.000 0.745 94 E HN 0.702 nan 8.360 nan 0.000 0.458 95 E N 1.360 121.611 120.200 0.085 0.000 2.110 95 E HA -0.141 4.201 4.350 -0.015 0.000 0.193 95 E C 1.947 178.602 176.600 0.092 0.000 0.988 95 E CA 0.856 57.314 56.400 0.097 0.000 0.804 95 E CB -0.160 29.634 29.700 0.155 0.000 0.745 95 E HN 0.208 nan 8.360 nan 0.000 0.458 96 L N -0.110 121.161 121.223 0.080 0.000 2.093 96 L HA -0.135 4.196 4.340 -0.015 0.000 0.208 96 L C 2.507 179.426 176.870 0.081 0.000 1.085 96 L CA 0.806 55.648 54.840 0.003 0.000 0.755 96 L CB -0.431 41.579 42.059 -0.082 0.000 0.904 96 L HN 0.214 nan 8.230 nan 0.000 0.435 97 L N -0.348 120.921 121.223 0.077 0.000 2.012 97 L HA -0.236 4.095 4.340 -0.015 0.000 0.210 97 L C 2.625 179.536 176.870 0.068 0.000 1.073 97 L CA 1.221 56.108 54.840 0.079 0.000 0.748 97 L CB -0.413 41.688 42.059 0.070 0.000 0.891 97 L HN 0.143 nan 8.230 nan 0.000 0.431 98 K N 0.118 120.555 120.400 0.061 0.000 2.152 98 K HA -0.128 4.183 4.320 -0.015 0.000 0.206 98 K C 1.990 178.624 176.600 0.056 0.000 1.048 98 K CA 1.280 57.597 56.287 0.051 0.000 0.933 98 K CB -0.154 32.373 32.500 0.045 0.000 0.721 98 K HN 0.226 nan 8.250 nan 0.000 0.447 99 R N -1.177 119.372 120.500 0.083 0.000 2.310 99 R HA 0.136 4.467 4.340 -0.015 0.000 0.202 99 R C 0.751 177.096 176.300 0.075 0.000 0.933 99 R CA 0.617 56.787 56.100 0.116 0.000 1.054 99 R CB 0.400 30.823 30.300 0.205 0.000 0.985 99 R HN 0.332 nan 8.270 nan 0.000 0.489 100 G N -0.015 108.809 108.800 0.040 0.000 2.143 100 G HA2 -0.245 3.706 3.960 -0.015 0.000 0.249 100 G HA3 -0.245 3.706 3.960 -0.015 0.000 0.249 100 G C 0.166 174.998 174.900 -0.114 0.000 0.981 100 G CA 0.051 45.119 45.100 -0.052 0.000 0.665 100 G HN 0.498 nan 8.290 nan 0.000 0.528 101 W N 0.670 121.939 121.300 -0.052 0.000 3.278 101 W HA 0.677 5.328 4.660 -0.015 0.000 0.308 101 W C 1.088 177.585 176.519 -0.037 0.000 1.253 101 W CA 0.638 57.937 57.345 -0.078 0.000 1.759 101 W CB 0.588 29.934 29.460 -0.191 0.000 1.093 101 W HN 0.736 nan 8.180 nan 0.000 0.648 102 A N -0.143 122.801 122.820 0.205 0.000 2.602 102 A HA 0.762 5.073 4.320 -0.015 0.000 0.290 102 A C -1.835 175.896 177.584 0.245 0.000 1.114 102 A CA -0.672 51.468 52.037 0.172 0.000 0.683 102 A CB 1.086 20.125 19.000 0.065 0.000 1.281 102 A HN 0.264 nan 8.150 nan 0.000 0.416 103 Y N -1.469 118.851 120.300 0.034 0.000 2.609 103 Y HA 0.777 5.318 4.550 -0.015 0.000 0.336 103 Y C -0.585 175.318 175.900 0.006 0.000 1.129 103 Y CA -1.180 56.937 58.100 0.027 0.000 1.040 103 Y CB 1.063 39.547 38.460 0.039 0.000 1.310 103 Y HN 0.670 nan 8.280 nan 0.000 0.460 104 R N 1.802 122.346 120.500 0.075 0.000 2.308 104 R HA 0.784 5.115 4.340 -0.015 0.000 0.305 104 R C -0.970 175.239 176.300 -0.151 0.000 1.053 104 R CA -0.554 55.444 56.100 -0.171 0.000 0.957 104 R CB 1.435 31.510 30.300 -0.375 0.000 1.022 104 R HN 0.833 nan 8.270 nan 0.000 0.461 105 A N 3.009 125.635 122.820 -0.324 0.000 2.330 105 A HA 0.475 4.786 4.320 -0.015 0.000 0.313 105 A C -0.518 176.896 177.584 -0.283 0.000 1.124 105 A CA -0.689 51.277 52.037 -0.120 0.000 0.774 105 A CB 0.388 19.317 19.000 -0.118 0.000 1.198 105 A HN 0.756 nan 8.150 nan 0.000 0.465 106 F N 0.480 120.487 119.950 0.095 0.000 2.664 106 F HA 0.205 4.723 4.527 -0.015 0.000 0.303 106 F C 0.597 176.433 175.800 0.060 0.000 1.092 106 F CA -0.158 57.895 58.000 0.088 0.000 1.305 106 F CB -0.034 39.011 39.000 0.075 0.000 1.054 106 F HN 0.534 nan 8.300 nan 0.000 0.565 107 E N 0.847 121.148 120.200 0.168 0.000 2.413 107 E HA 0.114 4.455 4.350 -0.015 0.000 0.263 107 E C 0.833 177.474 176.600 0.069 0.000 1.015 107 E CA 0.084 56.557 56.400 0.121 0.000 0.916 107 E CB 0.321 30.083 29.700 0.103 0.000 0.947 107 E HN 0.186 nan 8.360 nan 0.000 0.440 108 T N -0.087 114.512 114.554 0.074 0.000 2.816 108 T HA 0.225 4.566 4.350 -0.015 0.000 0.282 108 T C -1.802 172.918 174.700 0.033 0.000 0.993 108 T CA -1.737 60.393 62.100 0.050 0.000 0.994 108 T CB 1.029 69.929 68.868 0.053 0.000 1.025 108 T HN 0.123 nan 8.240 nan 0.000 0.529 109 P HA -0.052 nan 4.420 nan 0.000 0.216 109 P C 1.216 178.532 177.300 0.027 0.000 1.150 109 P CA 1.002 64.112 63.100 0.016 0.000 0.837 109 P CB 0.038 31.744 31.700 0.010 0.000 0.786 110 E N -0.380 119.839 120.200 0.031 0.000 2.106 110 E HA -0.165 4.177 4.350 -0.015 0.000 0.192 110 E C 1.929 178.556 176.600 0.046 0.000 0.984 110 E CA 1.093 57.514 56.400 0.035 0.000 0.806 110 E CB -0.678 29.041 29.700 0.032 0.000 0.750 110 E HN 0.404 nan 8.360 nan 0.000 0.458 111 E N 0.233 120.466 120.200 0.056 0.000 2.072 111 E HA -0.121 4.221 4.350 -0.015 0.000 0.191 111 E C 2.057 178.713 176.600 0.093 0.000 0.985 111 E CA 0.694 57.140 56.400 0.075 0.000 0.801 111 E CB -0.110 29.645 29.700 0.091 0.000 0.750 111 E HN 0.222 nan 8.360 nan 0.000 0.452 112 L N 0.860 122.132 121.223 0.083 0.000 2.083 112 L HA -0.196 4.135 4.340 -0.015 0.000 0.209 112 L C 2.566 179.488 176.870 0.087 0.000 1.083 112 L CA 0.929 55.827 54.840 0.097 0.000 0.752 112 L CB -0.248 41.834 42.059 0.038 0.000 0.899 112 L HN 0.115 nan 8.230 nan 0.000 0.433 113 E N 0.042 120.278 120.200 0.060 0.000 2.072 113 E HA -0.249 4.092 4.350 -0.015 0.000 0.191 113 E C 2.142 178.774 176.600 0.052 0.000 0.985 113 E CA 1.216 57.646 56.400 0.050 0.000 0.801 113 E CB -0.118 29.604 29.700 0.037 0.000 0.750 113 E HN 0.254 nan 8.360 nan 0.000 0.452 114 Q N 0.320 120.153 119.800 0.055 0.000 2.079 114 Q HA -0.108 4.223 4.340 -0.015 0.000 0.200 114 Q C 2.322 178.354 176.000 0.055 0.000 0.974 114 Q CA 1.500 57.332 55.803 0.049 0.000 0.840 114 Q CB -0.255 28.511 28.738 0.047 0.000 0.898 114 Q HN 0.451 nan 8.270 nan 0.000 0.430 115 I N 0.280 120.898 120.570 0.079 0.000 2.252 115 I HA -0.262 3.899 4.170 -0.015 0.000 0.245 115 I C 2.817 178.977 176.117 0.072 0.000 1.102 115 I CA 1.089 62.438 61.300 0.082 0.000 1.385 115 I CB -0.394 37.693 38.000 0.145 0.000 1.064 115 I HN 0.180 nan 8.210 nan 0.000 0.414 116 R N 1.262 121.815 120.500 0.087 0.000 2.083 116 R HA -0.195 4.136 4.340 -0.015 0.000 0.237 116 R C 2.194 178.523 176.300 0.047 0.000 1.137 116 R CA 1.486 57.630 56.100 0.073 0.000 0.951 116 R CB 0.011 30.354 30.300 0.071 0.000 0.851 116 R HN 0.155 nan 8.270 nan 0.000 0.434 117 K N 0.325 120.749 120.400 0.040 0.000 2.217 117 K HA -0.139 4.173 4.320 -0.015 0.000 0.202 117 K C 1.813 178.426 176.600 0.023 0.000 1.051 117 K CA 1.139 57.443 56.287 0.029 0.000 0.952 117 K CB -0.009 32.507 32.500 0.026 0.000 0.736 117 K HN 0.446 nan 8.250 nan 0.000 0.453 118 E N 0.691 120.905 120.200 0.024 0.000 2.060 118 E HA -0.089 4.252 4.350 -0.015 0.000 0.189 118 E C 1.298 177.903 176.600 0.008 0.000 0.974 118 E CA 0.811 57.220 56.400 0.015 0.000 0.808 118 E CB 0.357 30.066 29.700 0.015 0.000 0.768 118 E HN -0.067 nan 8.360 nan 0.000 0.453 119 K N -1.101 119.305 120.400 0.009 0.000 2.348 119 K HA 0.169 4.480 4.320 -0.015 0.000 0.194 119 K C 1.155 177.759 176.600 0.008 0.000 1.052 119 K CA 0.848 57.134 56.287 -0.001 0.000 1.004 119 K CB 1.392 33.880 32.500 -0.020 0.000 0.873 119 K HN 0.328 nan 8.250 nan 0.000 0.523 120 G N 0.521 109.333 108.800 0.021 0.000 2.179 120 G HA2 -0.153 3.798 3.960 -0.015 0.000 0.220 120 G HA3 -0.153 3.798 3.960 -0.015 0.000 0.220 120 G C 0.379 175.302 174.900 0.039 0.000 0.990 120 G CA 0.117 45.232 45.100 0.025 0.000 0.646 120 G HN 0.688 nan 8.290 nan 0.000 0.517 121 G N -1.735 107.096 108.800 0.052 0.000 2.313 121 G HA2 0.527 4.478 3.960 -0.015 0.000 0.296 121 G HA3 0.527 4.478 3.960 -0.015 0.000 0.296 121 G C -0.979 173.992 174.900 0.119 0.000 1.356 121 G CA 0.017 45.169 45.100 0.087 0.000 0.833 121 G HN 1.344 nan 8.290 nan 0.000 0.552 122 Y N 1.798 122.121 120.300 0.038 0.000 2.526 122 Y HA 0.308 4.849 4.550 -0.015 0.000 0.330 122 Y C 1.446 177.378 175.900 0.054 0.000 1.156 122 Y CA 0.533 58.664 58.100 0.051 0.000 1.419 122 Y CB 1.114 39.611 38.460 0.062 0.000 1.250 122 Y HN 0.546 nan 8.280 nan 0.000 0.540 123 D N 2.926 122.986 120.400 -0.567 0.000 2.342 123 D HA 0.116 4.747 4.640 -0.015 0.000 0.221 123 D C 1.452 177.470 176.300 -0.470 0.000 1.101 123 D CA 0.438 54.199 54.000 -0.398 0.000 0.837 123 D CB -0.397 40.252 40.800 -0.251 0.000 0.938 123 D HN 0.883 nan 8.370 nan 0.000 0.508 124 G N 2.210 110.532 108.800 -0.798 0.000 2.168 124 G HA2 -0.448 3.503 3.960 -0.015 0.000 0.257 124 G HA3 -0.448 3.503 3.960 -0.015 0.000 0.257 124 G C 1.174 175.914 174.900 -0.268 0.000 0.997 124 G CA 0.574 45.502 45.100 -0.287 0.000 0.708 124 G HN 0.598 nan 8.290 nan 0.000 0.520 125 R N -0.441 119.854 120.500 -0.341 0.000 2.159 125 R HA 0.181 4.512 4.340 -0.015 0.000 0.237 125 R C 2.551 178.851 176.300 0.000 0.000 1.131 125 R CA 1.838 57.859 56.100 -0.132 0.000 0.982 125 R CB -0.561 29.683 30.300 -0.093 0.000 0.868 125 R HN 0.867 nan 8.270 nan 0.000 0.453 126 A N 1.531 124.463 122.820 0.186 0.000 2.172 126 A HA -0.033 4.278 4.320 -0.015 0.000 0.216 126 A C 1.933 179.531 177.584 0.022 0.000 1.154 126 A CA 0.754 52.946 52.037 0.259 0.000 0.701 126 A CB -0.351 18.984 19.000 0.559 0.000 0.789 126 A HN 0.365 nan 8.150 nan 0.000 0.465 127 R N 0.107 120.410 120.500 -0.329 0.000 2.189 127 R HA -0.033 4.298 4.340 -0.015 0.000 0.223 127 R C 0.604 176.786 176.300 -0.197 0.000 1.092 127 R CA 1.080 56.891 56.100 -0.482 0.000 0.989 127 R CB -0.113 29.816 30.300 -0.617 0.000 0.876 127 R HN 0.446 nan 8.270 nan 0.000 0.457 128 N N 0.385 119.015 118.700 -0.117 0.000 2.383 128 N HA 0.069 4.801 4.740 -0.015 0.000 0.192 128 N C -0.038 175.455 175.510 -0.028 0.000 1.141 128 N CA 0.390 53.398 53.050 -0.070 0.000 0.851 128 N CB 0.430 38.879 38.487 -0.064 0.000 0.976 128 N HN 0.181 nan 8.380 nan 0.000 0.465 129 I N 2.088 122.661 120.570 0.005 0.000 2.441 129 I HA 0.163 4.324 4.170 -0.015 0.000 0.287 129 I C -2.007 174.119 176.117 0.015 0.000 1.049 129 I CA -1.848 59.468 61.300 0.027 0.000 1.381 129 I CB 0.820 38.874 38.000 0.091 0.000 1.409 129 I HN -0.330 nan 8.210 nan 0.000 0.523 130 P HA 0.035 nan 4.420 nan 0.000 0.263 130 P C -2.029 175.279 177.300 0.014 0.000 1.195 130 P CA -0.730 62.367 63.100 -0.004 0.000 0.762 130 P CB 0.177 31.869 31.700 -0.013 0.000 0.799 131 P HA -0.260 nan 4.420 nan 0.000 0.216 131 P C 1.375 178.694 177.300 0.031 0.000 1.157 131 P CA 1.607 64.728 63.100 0.034 0.000 0.880 131 P CB -0.168 31.545 31.700 0.021 0.000 0.791 132 E N -0.078 120.130 120.200 0.014 0.000 2.204 132 E HA -0.232 4.109 4.350 -0.015 0.000 0.195 132 E C 2.011 178.612 176.600 0.002 0.000 0.990 132 E CA 1.052 57.457 56.400 0.009 0.000 0.821 132 E CB -0.709 28.991 29.700 0.001 0.000 0.750 132 E HN 0.293 nan 8.360 nan 0.000 0.477 133 E N 0.522 120.718 120.200 -0.007 0.000 2.107 133 E HA -0.110 4.231 4.350 -0.015 0.000 0.191 133 E C 2.059 178.632 176.600 -0.045 0.000 0.982 133 E CA 0.868 57.246 56.400 -0.036 0.000 0.809 133 E CB -0.080 29.591 29.700 -0.048 0.000 0.756 133 E HN 0.411 nan 8.360 nan 0.000 0.459 134 A N 1.290 124.125 122.820 0.025 0.000 1.898 134 A HA -0.180 4.131 4.320 -0.015 0.000 0.216 134 A C 1.958 179.624 177.584 0.137 0.000 1.181 134 A CA 1.271 53.393 52.037 0.141 0.000 0.620 134 A CB -0.346 18.800 19.000 0.245 0.000 0.819 134 A HN 0.154 nan 8.150 nan 0.000 0.442 135 E N -0.264 119.978 120.200 0.069 0.000 2.077 135 E HA -0.192 4.149 4.350 -0.015 0.000 0.193 135 E C 1.943 178.565 176.600 0.037 0.000 0.989 135 E CA 1.506 57.936 56.400 0.051 0.000 0.800 135 E CB -0.328 29.395 29.700 0.037 0.000 0.746 135 E HN 0.729 nan 8.360 nan 0.000 0.452 136 E N 1.376 121.583 120.200 0.011 0.000 2.077 136 E HA -0.135 4.206 4.350 -0.015 0.000 0.193 136 E C 2.021 178.612 176.600 -0.014 0.000 0.989 136 E CA 1.245 57.642 56.400 -0.004 0.000 0.800 136 E CB -0.044 29.642 29.700 -0.023 0.000 0.746 136 E HN 0.107 nan 8.360 nan 0.000 0.452 137 R N -0.110 120.351 120.500 -0.065 0.000 2.096 137 R HA -0.023 4.308 4.340 -0.015 0.000 0.235 137 R C 2.385 178.729 176.300 0.072 0.000 1.127 137 R CA 1.171 57.201 56.100 -0.117 0.000 0.968 137 R CB -0.415 29.578 30.300 -0.512 0.000 0.861 137 R HN 0.237 nan 8.270 nan 0.000 0.440 138 A N 1.242 124.151 122.820 0.149 0.000 1.873 138 A HA -0.190 4.122 4.320 -0.015 0.000 0.215 138 A C 2.135 179.811 177.584 0.154 0.000 1.186 138 A CA 1.397 53.537 52.037 0.171 0.000 0.616 138 A CB -0.484 18.517 19.000 0.003 0.000 0.823 138 A HN 0.226 nan 8.150 nan 0.000 0.442 139 R N -0.280 120.276 120.500 0.093 0.000 2.127 139 R HA -0.099 4.233 4.340 -0.015 0.000 0.238 139 R C 1.914 178.252 176.300 0.065 0.000 1.134 139 R CA 1.499 57.641 56.100 0.071 0.000 0.975 139 R CB -0.195 30.132 30.300 0.045 0.000 0.865 139 R HN 0.487 nan 8.270 nan 0.000 0.447 140 R N -0.983 119.552 120.500 0.059 0.000 2.323 140 R HA 0.071 4.402 4.340 -0.015 0.000 0.198 140 R C 0.788 177.130 176.300 0.070 0.000 0.988 140 R CA 0.603 56.732 56.100 0.047 0.000 1.041 140 R CB 0.441 30.755 30.300 0.022 0.000 0.926 140 R HN 0.521 nan 8.270 nan 0.000 0.476 141 G N 1.506 110.371 108.800 0.109 0.000 2.141 141 G HA2 -0.306 3.645 3.960 -0.015 0.000 0.242 141 G HA3 -0.306 3.645 3.960 -0.015 0.000 0.242 141 G C -0.160 174.838 174.900 0.163 0.000 0.982 141 G CA -0.127 45.048 45.100 0.124 0.000 0.662 141 G HN 0.441 nan 8.290 nan 0.000 0.527 142 E N 1.251 121.582 120.200 0.217 0.000 2.376 142 E HA 0.359 4.700 4.350 -0.015 0.000 0.266 142 E C -1.986 174.859 176.600 0.407 0.000 1.009 142 E CA -1.628 54.938 56.400 0.277 0.000 0.902 142 E CB 0.704 30.565 29.700 0.267 0.000 0.972 142 E HN 0.179 nan 8.360 nan 0.000 0.439 143 P HA 0.009 nan 4.420 nan 0.000 0.268 143 P C -1.097 176.316 177.300 0.189 0.000 1.205 143 P CA 0.590 63.784 63.100 0.157 0.000 0.771 143 P CB 0.469 32.220 31.700 0.085 0.000 0.858 144 H N -0.378 118.633 119.070 -0.098 0.000 2.917 144 H HA 0.548 5.095 4.556 -0.015 0.000 0.299 144 H C -1.481 173.695 175.328 -0.252 0.000 1.418 144 H CA -1.015 54.849 56.048 -0.307 0.000 1.138 144 H CB 0.326 29.592 29.762 -0.827 0.000 1.830 144 H HN 0.225 nan 8.280 nan 0.000 0.514 145 V N -0.820 118.952 119.914 -0.236 0.000 3.046 145 V HA 0.693 4.804 4.120 -0.015 0.000 0.316 145 V C -0.178 175.819 176.094 -0.162 0.000 1.104 145 V CA -1.126 61.042 62.300 -0.220 0.000 1.006 145 V CB 2.035 33.738 31.823 -0.200 0.000 1.058 145 V HN 0.676 nan 8.190 nan 0.000 0.440 146 I N 2.011 122.492 120.570 -0.148 0.000 2.362 146 I HA 0.584 4.746 4.170 -0.015 0.000 0.289 146 I C 0.176 176.153 176.117 -0.235 0.000 0.994 146 I CA -0.449 60.756 61.300 -0.158 0.000 1.158 146 I CB 1.584 39.553 38.000 -0.052 0.000 1.315 146 I HN 0.658 nan 8.210 nan 0.000 0.451 147 R N 4.240 124.469 120.500 -0.452 0.000 2.720 147 R HA 0.563 4.895 4.340 -0.015 0.000 0.272 147 R C -0.885 175.238 176.300 -0.295 0.000 0.991 147 R CA -1.095 54.739 56.100 -0.442 0.000 1.010 147 R CB 1.979 31.869 30.300 -0.683 0.000 1.141 147 R HN 0.375 nan 8.270 nan 0.000 0.494 148 L N 1.701 122.873 121.223 -0.085 0.000 2.367 148 L HA 0.167 4.498 4.340 -0.015 0.000 0.275 148 L C -0.214 176.783 176.870 0.213 0.000 1.129 148 L CA 0.390 55.265 54.840 0.058 0.000 0.839 148 L CB 0.519 42.601 42.059 0.039 0.000 1.133 148 L HN 0.458 nan 8.230 nan 0.000 0.453 149 K N 4.785 125.362 120.400 0.296 0.000 2.231 149 K HA 0.348 4.660 4.320 -0.015 0.000 0.255 149 K C -1.106 175.574 176.600 0.132 0.000 1.108 149 K CA -0.571 55.886 56.287 0.283 0.000 0.997 149 K CB 0.208 32.820 32.500 0.188 0.000 1.549 149 K HN 0.575 nan 8.250 nan 0.000 0.419 150 V N 5.534 125.532 119.914 0.139 0.000 2.673 150 V HA 0.062 4.173 4.120 -0.015 0.000 0.303 150 V C -1.986 174.105 176.094 -0.005 0.000 1.046 150 V CA -1.280 61.080 62.300 0.101 0.000 1.126 150 V CB 0.578 32.446 31.823 0.076 0.000 0.934 150 V HN 0.722 nan 8.190 nan 0.000 0.487 151 P HA 0.322 nan 4.420 nan 0.000 0.271 151 P C -0.711 176.560 177.300 -0.047 0.000 1.233 151 P CA -0.204 62.838 63.100 -0.096 0.000 0.764 151 P CB 0.406 32.061 31.700 -0.076 0.000 0.825 152 R N 3.871 124.331 120.500 -0.067 0.000 2.409 152 R HA 0.490 4.822 4.340 -0.015 0.000 0.313 152 R C -1.728 174.540 176.300 -0.053 0.000 0.953 152 R CA -1.456 54.615 56.100 -0.049 0.000 0.849 152 R CB 0.180 30.447 30.300 -0.055 0.000 1.171 152 R HN 0.451 nan 8.270 nan 0.000 0.458 153 P HA 0.817 nan 4.420 nan 0.000 0.284 153 P C -0.459 176.834 177.300 -0.012 0.000 1.292 153 P CA -0.649 62.439 63.100 -0.020 0.000 0.800 153 P CB 1.642 33.332 31.700 -0.016 0.000 1.188 154 G N -1.094 107.709 108.800 0.006 0.000 2.315 154 G HA2 0.520 4.471 3.960 -0.015 0.000 0.294 154 G HA3 0.520 4.471 3.960 -0.015 0.000 0.294 154 G C -1.472 173.450 174.900 0.037 0.000 1.300 154 G CA -0.129 44.983 45.100 0.020 0.000 0.843 154 G HN 0.862 nan 8.290 nan 0.000 0.527 155 T N -2.709 111.876 114.554 0.051 0.000 2.900 155 T HA 0.786 5.127 4.350 -0.015 0.000 0.303 155 T C -0.903 173.849 174.700 0.087 0.000 1.142 155 T CA -0.592 61.550 62.100 0.069 0.000 1.007 155 T CB 2.158 71.058 68.868 0.054 0.000 1.156 155 T HN 0.838 nan 8.240 nan 0.000 0.490 156 T N 2.110 116.735 114.554 0.118 0.000 2.879 156 T HA 0.460 4.801 4.350 -0.015 0.000 0.290 156 T C -0.897 173.903 174.700 0.166 0.000 0.993 156 T CA -0.761 61.413 62.100 0.122 0.000 0.975 156 T CB 1.428 70.349 68.868 0.088 0.000 0.981 156 T HN 0.698 nan 8.240 nan 0.000 0.439 157 E N 1.988 122.262 120.200 0.124 0.000 2.175 157 E HA 0.608 4.950 4.350 -0.015 0.000 0.278 157 E C -0.873 175.804 176.600 0.127 0.000 0.969 157 E CA -0.818 55.651 56.400 0.115 0.000 0.796 157 E CB 2.014 31.756 29.700 0.069 0.000 1.104 157 E HN 0.236 nan 8.360 nan 0.000 0.395 158 V N 2.962 122.964 119.914 0.146 0.000 2.709 158 V HA 0.324 4.435 4.120 -0.015 0.000 0.308 158 V C -0.387 175.767 176.094 0.099 0.000 1.062 158 V CA -0.915 61.464 62.300 0.131 0.000 0.901 158 V CB 2.081 33.995 31.823 0.151 0.000 1.003 158 V HN 0.552 nan 8.190 nan 0.000 0.425 159 K N 2.572 123.037 120.400 0.108 0.000 2.274 159 K HA 0.526 4.837 4.320 -0.015 0.000 0.262 159 K C -1.203 175.450 176.600 0.087 0.000 0.961 159 K CA -0.498 55.832 56.287 0.071 0.000 0.833 159 K CB 1.573 34.097 32.500 0.041 0.000 1.102 159 K HN 0.872 nan 8.250 nan 0.000 0.436 160 D N 2.940 123.365 120.400 0.041 0.000 2.233 160 D HA 0.067 4.698 4.640 -0.015 0.000 0.240 160 D C 0.682 176.913 176.300 -0.116 0.000 1.074 160 D CA -0.443 53.577 54.000 0.034 0.000 0.838 160 D CB 1.293 42.154 40.800 0.103 0.000 1.124 160 D HN 0.441 nan 8.370 nan 0.000 0.475 161 E N 2.927 122.923 120.200 -0.341 0.000 2.267 161 E HA -0.112 4.230 4.350 -0.015 0.000 0.197 161 E C 1.421 177.867 176.600 -0.256 0.000 0.998 161 E CA 0.849 56.983 56.400 -0.444 0.000 0.830 161 E CB 0.088 29.156 29.700 -1.053 0.000 0.751 161 E HN 0.670 nan 8.360 nan 0.000 0.491 162 L N -0.819 120.301 121.223 -0.172 0.000 2.463 162 L HA 0.140 4.471 4.340 -0.015 0.000 0.219 162 L C 2.084 178.950 176.870 -0.008 0.000 1.088 162 L CA 0.294 55.106 54.840 -0.047 0.000 0.849 162 L CB 0.085 42.153 42.059 0.014 0.000 1.012 162 L HN -0.056 nan 8.230 nan 0.000 0.468 163 R N -0.169 120.323 120.500 -0.014 0.000 2.316 163 R HA 0.394 4.725 4.340 -0.015 0.000 0.201 163 R C 0.659 176.950 176.300 -0.016 0.000 0.888 163 R CA 0.448 56.546 56.100 -0.004 0.000 1.041 163 R CB 0.920 31.224 30.300 0.006 0.000 1.115 163 R HN 0.276 nan 8.270 nan 0.000 0.559 164 G N 0.465 109.251 108.800 -0.024 0.000 2.483 164 G HA2 -0.173 3.778 3.960 -0.015 0.000 0.521 164 G HA3 -0.173 3.778 3.960 -0.015 0.000 0.521 164 G C -0.925 173.963 174.900 -0.019 0.000 1.278 164 G CA -0.832 44.254 45.100 -0.024 0.000 0.965 164 G HN -0.032 nan 8.290 nan 0.000 0.504 165 V N -0.168 119.735 119.914 -0.019 0.000 2.583 165 V HA 0.540 4.651 4.120 -0.015 0.000 0.287 165 V C 0.673 176.738 176.094 -0.048 0.000 1.051 165 V CA -0.415 61.876 62.300 -0.015 0.000 1.010 165 V CB 1.297 33.115 31.823 -0.007 0.000 0.988 165 V HN 0.910 nan 8.190 nan 0.000 0.478 166 V N 5.151 125.028 119.914 -0.061 0.000 2.487 166 V HA 0.382 4.494 4.120 -0.015 0.000 0.298 166 V C -0.251 175.732 176.094 -0.185 0.000 1.028 166 V CA -0.613 61.575 62.300 -0.187 0.000 0.860 166 V CB 2.124 33.752 31.823 -0.326 0.000 0.991 166 V HN 0.599 nan 8.190 nan 0.000 0.427 167 V N 5.845 125.636 119.914 -0.205 0.000 2.348 167 V HA 0.385 4.496 4.120 -0.015 0.000 0.270 167 V C -0.712 175.274 176.094 -0.179 0.000 1.037 167 V CA -0.532 61.705 62.300 -0.106 0.000 0.872 167 V CB 0.652 32.441 31.823 -0.057 0.000 1.002 167 V HN 0.703 nan 8.190 nan 0.000 0.464 168 Y N 2.322 122.613 120.300 -0.014 0.000 2.323 168 Y HA 0.387 4.928 4.550 -0.015 0.000 0.331 168 Y C 0.529 176.424 175.900 -0.009 0.000 1.092 168 Y CA -0.608 57.482 58.100 -0.017 0.000 1.150 168 Y CB 1.076 39.521 38.460 -0.026 0.000 1.200 168 Y HN 0.576 nan 8.280 nan 0.000 0.472 169 D N 1.714 122.201 120.400 0.146 0.000 2.308 169 D HA 0.040 4.671 4.640 -0.015 0.000 0.251 169 D C 0.502 176.860 176.300 0.096 0.000 1.127 169 D CA -0.052 53.999 54.000 0.085 0.000 0.876 169 D CB 0.865 41.695 40.800 0.050 0.000 1.176 169 D HN 0.494 nan 8.370 nan 0.000 0.446 170 N N 2.305 121.045 118.700 0.066 0.000 2.430 170 N HA -0.148 4.583 4.740 -0.015 0.000 0.186 170 N C 1.255 176.784 175.510 0.032 0.000 1.032 170 N CA 0.665 53.743 53.050 0.046 0.000 0.893 170 N CB -0.011 38.498 38.487 0.037 0.000 0.957 170 N HN 0.585 nan 8.380 nan 0.000 0.442 171 Q N 0.248 120.067 119.800 0.032 0.000 2.291 171 Q HA -0.111 4.220 4.340 -0.015 0.000 0.206 171 Q C 0.934 176.951 176.000 0.028 0.000 0.976 171 Q CA 0.913 56.730 55.803 0.022 0.000 0.875 171 Q CB -0.006 28.742 28.738 0.018 0.000 0.927 171 Q HN 0.616 nan 8.270 nan 0.000 0.450 172 E N -0.018 120.210 120.200 0.046 0.000 2.442 172 E HA 0.039 4.381 4.350 -0.015 0.000 0.195 172 E C 0.055 176.658 176.600 0.005 0.000 1.030 172 E CA 0.177 56.607 56.400 0.050 0.000 0.869 172 E CB 0.324 30.097 29.700 0.122 0.000 0.857 172 E HN 0.306 nan 8.360 nan 0.000 0.505 173 I N 3.803 124.364 120.570 -0.015 0.000 2.312 173 I HA 0.228 4.389 4.170 -0.015 0.000 0.290 173 I C -2.149 173.957 176.117 -0.018 0.000 1.008 173 I CA -2.450 58.815 61.300 -0.059 0.000 1.226 173 I CB 1.062 39.010 38.000 -0.087 0.000 1.371 173 I HN -0.173 nan 8.210 nan 0.000 0.468 174 P HA 0.167 nan 4.420 nan 0.000 0.278 174 P C -0.941 176.388 177.300 0.048 0.000 1.266 174 P CA -0.490 62.630 63.100 0.035 0.000 0.807 174 P CB 0.972 32.700 31.700 0.047 0.000 1.094 175 D N 0.558 121.032 120.400 0.123 0.000 2.608 175 D HA 0.126 4.757 4.640 -0.015 0.000 0.224 175 D C 0.331 176.680 176.300 0.081 0.000 1.123 175 D CA -0.044 54.051 54.000 0.158 0.000 1.030 175 D CB -0.759 40.249 40.800 0.346 0.000 1.093 175 D HN 0.109 nan 8.370 nan 0.000 0.497 176 V N -0.698 119.225 119.914 0.014 0.000 3.032 176 V HA 0.053 4.164 4.120 -0.015 0.000 0.307 176 V C 0.765 176.850 176.094 -0.015 0.000 1.097 176 V CA -0.725 61.576 62.300 0.001 0.000 1.191 176 V CB 0.614 32.406 31.823 -0.052 0.000 0.964 176 V HN 0.027 nan 8.190 nan 0.000 0.494 177 V N 5.372 125.286 119.914 -0.001 0.000 2.572 177 V HA 0.147 4.258 4.120 -0.015 0.000 0.291 177 V C 1.060 177.164 176.094 0.017 0.000 1.039 177 V CA 0.209 62.484 62.300 -0.042 0.000 1.055 177 V CB 0.681 32.474 31.823 -0.050 0.000 0.969 177 V HN 0.885 nan 8.190 nan 0.000 0.482 178 L N 4.182 125.393 121.223 -0.019 0.000 2.445 178 L HA 0.361 4.693 4.340 -0.015 0.000 0.207 178 L C 0.136 177.005 176.870 -0.002 0.000 1.053 178 L CA 0.428 55.275 54.840 0.013 0.000 0.841 178 L CB 0.302 42.366 42.059 0.009 0.000 1.074 178 L HN 0.411 nan 8.230 nan 0.000 0.479 179 L N 0.774 121.984 121.223 -0.023 0.000 2.376 179 L HA 0.385 4.716 4.340 -0.015 0.000 0.275 179 L C -0.354 176.484 176.870 -0.053 0.000 0.987 179 L CA -0.280 54.550 54.840 -0.017 0.000 0.828 179 L CB 1.431 43.490 42.059 0.000 0.000 1.249 179 L HN -0.072 nan 8.230 nan 0.000 0.409 180 K N 1.391 121.775 120.400 -0.028 0.000 2.138 180 K HA 0.221 4.532 4.320 -0.015 0.000 0.251 180 K C 1.157 177.705 176.600 -0.085 0.000 1.015 180 K CA 0.439 56.697 56.287 -0.048 0.000 0.917 180 K CB 0.754 33.248 32.500 -0.010 0.000 1.021 180 K HN 0.726 nan 8.250 nan 0.000 0.485 181 S N 0.142 115.772 115.700 -0.115 0.000 2.469 181 S HA -0.139 4.322 4.470 -0.015 0.000 0.238 181 S C 1.024 175.572 174.600 -0.088 0.000 0.998 181 S CA 1.457 59.561 58.200 -0.159 0.000 0.957 181 S CB -0.361 62.761 63.200 -0.130 0.000 0.764 181 S HN 0.745 nan 8.310 nan 0.000 0.514 182 D N -0.007 120.385 120.400 -0.013 0.000 2.339 182 D HA 0.282 4.913 4.640 -0.015 0.000 0.217 182 D C 1.408 177.814 176.300 0.177 0.000 1.050 182 D CA 0.527 54.567 54.000 0.066 0.000 0.856 182 D CB -0.541 40.283 40.800 0.039 0.000 0.922 182 D HN 0.534 nan 8.370 nan 0.000 0.518 183 G N -0.808 108.050 108.800 0.096 0.000 2.195 183 G HA2 -0.289 3.663 3.960 -0.015 0.000 0.246 183 G HA3 -0.289 3.663 3.960 -0.015 0.000 0.246 183 G C -0.120 174.820 174.900 0.067 0.000 0.984 183 G CA 0.028 45.163 45.100 0.059 0.000 0.633 183 G HN 0.425 nan 8.290 nan 0.000 0.525 184 Y N 2.186 122.474 120.300 -0.021 0.000 2.301 184 Y HA 0.509 5.051 4.550 -0.015 0.000 0.325 184 Y C -1.418 174.451 175.900 -0.051 0.000 1.203 184 Y CA -1.753 56.337 58.100 -0.016 0.000 1.255 184 Y CB 1.542 39.985 38.460 -0.029 0.000 1.232 184 Y HN 0.037 nan 8.280 nan 0.000 0.501 185 P HA 0.146 nan 4.420 nan 0.000 0.281 185 P C -0.764 176.476 177.300 -0.100 0.000 1.264 185 P CA -0.485 62.550 63.100 -0.108 0.000 0.824 185 P CB 1.578 33.033 31.700 -0.408 0.000 1.092 186 T N -1.981 112.518 114.554 -0.092 0.000 2.881 186 T HA 0.146 4.487 4.350 -0.015 0.000 0.278 186 T C 1.041 175.654 174.700 -0.144 0.000 0.982 186 T CA -0.336 61.716 62.100 -0.079 0.000 0.989 186 T CB 0.216 69.071 68.868 -0.022 0.000 1.058 186 T HN 0.378 nan 8.240 nan 0.000 0.529 187 Y N 0.968 121.082 120.300 -0.310 0.000 2.256 187 Y HA -0.226 4.315 4.550 -0.015 0.000 0.288 187 Y C 2.486 178.208 175.900 -0.297 0.000 1.155 187 Y CA 1.986 59.872 58.100 -0.357 0.000 1.203 187 Y CB -0.656 37.526 38.460 -0.463 0.000 0.980 187 Y HN 0.793 nan 8.280 nan 0.000 0.530 188 H N -0.673 118.342 119.070 -0.092 0.000 2.319 188 H HA -0.185 4.362 4.556 -0.015 0.000 0.299 188 H C 2.249 177.448 175.328 -0.216 0.000 1.092 188 H CA 1.894 57.891 56.048 -0.084 0.000 1.302 188 H CB -0.786 29.035 29.762 0.099 0.000 1.373 188 H HN 0.438 nan 8.280 nan 0.000 0.497 189 L N 0.688 121.882 121.223 -0.049 0.000 2.068 189 L HA 0.080 4.411 4.340 -0.015 0.000 0.204 189 L C 2.559 179.322 176.870 -0.179 0.000 1.076 189 L CA 1.674 56.478 54.840 -0.060 0.000 0.753 189 L CB -0.858 41.200 42.059 -0.001 0.000 0.910 189 L HN 0.166 nan 8.230 nan 0.000 0.439 190 A N 0.604 123.203 122.820 -0.368 0.000 1.883 190 A HA -0.304 4.007 4.320 -0.015 0.000 0.217 190 A C 2.054 179.452 177.584 -0.310 0.000 1.186 190 A CA 2.067 53.823 52.037 -0.468 0.000 0.624 190 A CB -1.340 17.273 19.000 -0.644 0.000 0.822 190 A HN 0.773 nan 8.150 nan 0.000 0.444 191 N N -0.325 118.042 118.700 -0.554 0.000 2.120 191 N HA -0.133 4.598 4.740 -0.015 0.000 0.188 191 N C 1.249 176.568 175.510 -0.318 0.000 1.024 191 N CA 2.038 54.756 53.050 -0.553 0.000 0.852 191 N CB -0.574 37.191 38.487 -1.205 0.000 1.003 191 N HN 0.172 nan 8.380 nan 0.000 0.424 192 V N 0.092 119.801 119.914 -0.342 0.000 2.307 192 V HA -0.155 3.957 4.120 -0.015 0.000 0.245 192 V C 2.464 178.452 176.094 -0.178 0.000 1.045 192 V CA 1.296 63.406 62.300 -0.316 0.000 1.024 192 V CB -0.502 31.071 31.823 -0.416 0.000 0.651 192 V HN 0.278 nan 8.190 nan 0.000 0.449 193 V N 0.366 120.190 119.914 -0.149 0.000 2.295 193 V HA -0.260 3.851 4.120 -0.015 0.000 0.246 193 V C 2.269 178.239 176.094 -0.208 0.000 1.049 193 V CA 2.319 64.484 62.300 -0.226 0.000 1.024 193 V CB -0.672 31.023 31.823 -0.213 0.000 0.648 193 V HN 0.562 nan 8.190 nan 0.000 0.447 194 D N -0.349 119.996 120.400 -0.091 0.000 2.149 194 D HA -0.122 4.509 4.640 -0.015 0.000 0.201 194 D C 1.921 178.162 176.300 -0.098 0.000 0.972 194 D CA 1.103 55.051 54.000 -0.086 0.000 0.835 194 D CB -0.354 40.442 40.800 -0.007 0.000 0.966 194 D HN 0.390 nan 8.370 nan 0.000 0.476 195 D N -0.432 119.937 120.400 -0.051 0.000 2.117 195 D HA -0.150 4.482 4.640 -0.015 0.000 0.197 195 D C 1.903 178.174 176.300 -0.049 0.000 0.987 195 D CA 0.787 54.786 54.000 -0.001 0.000 0.829 195 D CB -0.316 40.545 40.800 0.103 0.000 0.961 195 D HN 0.407 nan 8.370 nan 0.000 0.460 196 H N 0.714 119.679 119.070 -0.175 0.000 2.299 196 H HA -0.014 4.533 4.556 -0.015 0.000 0.302 196 H C 2.215 177.246 175.328 -0.495 0.000 1.078 196 H CA 0.913 56.739 56.048 -0.371 0.000 1.323 196 H CB -0.178 29.110 29.762 -0.791 0.000 1.381 196 H HN 0.104 nan 8.280 nan 0.000 0.498 197 L N 0.251 121.149 121.223 -0.541 0.000 2.201 197 L HA -0.125 4.206 4.340 -0.015 0.000 0.212 197 L C 2.480 179.056 176.870 -0.490 0.000 1.105 197 L CA 0.710 55.235 54.840 -0.525 0.000 0.775 197 L CB -0.164 41.691 42.059 -0.341 0.000 0.913 197 L HN 0.307 nan 8.230 nan 0.000 0.440 198 M N -0.871 118.521 119.600 -0.346 0.000 2.495 198 M HA 0.169 4.640 4.480 -0.015 0.000 0.237 198 M C 1.247 177.397 176.300 -0.251 0.000 1.131 198 M CA 0.567 55.722 55.300 -0.242 0.000 1.032 198 M CB 0.316 32.885 32.600 -0.052 0.000 1.513 198 M HN 0.360 nan 8.290 nan 0.000 0.488 199 G N 1.269 109.862 108.800 -0.345 0.000 2.160 199 G HA2 -0.209 3.742 3.960 -0.015 0.000 0.251 199 G HA3 -0.209 3.742 3.960 -0.015 0.000 0.251 199 G C 0.030 174.852 174.900 -0.129 0.000 1.008 199 G CA -0.199 44.739 45.100 -0.270 0.000 0.724 199 G HN 0.330 nan 8.290 nan 0.000 0.514 200 V N 1.251 121.113 119.914 -0.086 0.000 2.540 200 V HA 0.324 4.436 4.120 -0.015 0.000 0.297 200 V C 1.833 177.908 176.094 -0.032 0.000 1.024 200 V CA 1.415 63.707 62.300 -0.014 0.000 1.105 200 V CB 0.951 32.788 31.823 0.024 0.000 0.938 200 V HN 0.774 nan 8.190 nan 0.000 0.482 201 T N -0.061 114.494 114.554 0.002 0.000 2.990 201 T HA 0.185 4.527 4.350 -0.015 0.000 0.249 201 T C 0.159 174.879 174.700 0.034 0.000 1.039 201 T CA -0.045 62.051 62.100 -0.006 0.000 1.036 201 T CB 0.160 69.040 68.868 0.021 0.000 0.994 201 T HN 0.602 nan 8.240 nan 0.000 0.489 202 D N 1.009 121.483 120.400 0.125 0.000 2.542 202 D HA 0.514 5.145 4.640 -0.015 0.000 0.252 202 D C -1.402 175.016 176.300 0.198 0.000 1.222 202 D CA -0.442 53.706 54.000 0.247 0.000 0.895 202 D CB 2.241 43.344 40.800 0.507 0.000 1.207 202 D HN 0.034 nan 8.370 nan 0.000 0.558 203 V N 3.920 123.896 119.914 0.104 0.000 2.348 203 V HA 0.362 4.473 4.120 -0.015 0.000 0.270 203 V C 0.056 176.286 176.094 0.226 0.000 1.037 203 V CA -0.381 62.010 62.300 0.151 0.000 0.872 203 V CB 0.452 32.354 31.823 0.131 0.000 1.002 203 V HN 0.508 nan 8.190 nan 0.000 0.464 204 I N 7.443 128.138 120.570 0.210 0.000 2.382 204 I HA 0.632 4.793 4.170 -0.015 0.000 0.285 204 I C 0.220 176.435 176.117 0.163 0.000 1.007 204 I CA -0.403 60.997 61.300 0.167 0.000 1.142 204 I CB 0.958 39.064 38.000 0.176 0.000 1.289 204 I HN 0.705 nan 8.210 nan 0.000 0.453 205 R N 4.784 125.359 120.500 0.124 0.000 2.795 205 R HA 0.858 5.189 4.340 -0.015 0.000 0.268 205 R C -1.024 175.440 176.300 0.273 0.000 1.041 205 R CA -1.028 55.215 56.100 0.240 0.000 0.927 205 R CB 1.261 31.780 30.300 0.364 0.000 1.235 205 R HN 0.431 nan 8.270 nan 0.000 0.463 206 A N 0.842 123.875 122.820 0.356 0.000 2.498 206 A HA 0.034 4.346 4.320 -0.015 0.000 0.239 206 A C 1.099 178.815 177.584 0.220 0.000 1.068 206 A CA 0.237 52.401 52.037 0.211 0.000 0.766 206 A CB 0.013 19.059 19.000 0.077 0.000 1.003 206 A HN 0.956 nan 8.150 nan 0.000 0.497 207 E N 1.430 121.718 120.200 0.146 0.000 2.333 207 E HA -0.261 4.080 4.350 -0.015 0.000 0.198 207 E C 1.141 177.694 176.600 -0.079 0.000 1.007 207 E CA 1.337 57.806 56.400 0.116 0.000 0.845 207 E CB -0.285 29.458 29.700 0.072 0.000 0.766 207 E HN 0.905 nan 8.360 nan 0.000 0.507 208 E N 0.293 120.319 120.200 -0.289 0.000 2.472 208 E HA -0.172 4.169 4.350 -0.015 0.000 0.200 208 E C 0.805 177.103 176.600 -0.503 0.000 1.046 208 E CA 0.690 56.795 56.400 -0.492 0.000 0.871 208 E CB -0.414 28.845 29.700 -0.735 0.000 0.806 208 E HN 0.584 nan 8.360 nan 0.000 0.533 209 W N 0.299 121.646 121.300 0.079 0.000 3.220 209 W HA 0.241 4.892 4.660 -0.015 0.000 0.328 209 W C 1.595 178.091 176.519 -0.038 0.000 1.205 209 W CA -0.985 56.428 57.345 0.113 0.000 1.773 209 W CB 0.244 29.864 29.460 0.265 0.000 1.086 209 W HN 0.083 nan 8.180 nan 0.000 0.622 210 L N 1.519 122.618 121.223 -0.208 0.000 2.013 210 L HA -0.217 4.114 4.340 -0.015 0.000 0.212 210 L C 2.332 179.043 176.870 -0.265 0.000 1.073 210 L CA 2.221 56.653 54.840 -0.681 0.000 0.753 210 L CB -0.988 40.739 42.059 -0.554 0.000 0.890 210 L HN 0.054 nan 8.230 nan 0.000 0.432 211 V N -4.277 115.571 119.914 -0.109 0.000 3.078 211 V HA -0.058 4.053 4.120 -0.015 0.000 0.265 211 V C 2.069 178.060 176.094 -0.172 0.000 1.122 211 V CA 1.576 63.831 62.300 -0.074 0.000 1.141 211 V CB -0.934 30.884 31.823 -0.009 0.000 0.735 211 V HN 0.438 nan 8.190 nan 0.000 0.498 212 S N 0.515 116.157 115.700 -0.095 0.000 2.528 212 S HA -0.031 4.430 4.470 -0.015 0.000 0.219 212 S C 1.883 176.146 174.600 -0.561 0.000 0.985 212 S CA 1.139 59.232 58.200 -0.179 0.000 0.914 212 S CB -0.240 63.074 63.200 0.190 0.000 0.776 212 S HN 0.780 nan 8.310 nan 0.000 0.526 213 T N 3.239 117.541 114.554 -0.420 0.000 2.759 213 T HA -0.076 4.266 4.350 -0.015 0.000 0.269 213 T C -0.689 173.741 174.700 -0.449 0.000 1.042 213 T CA 1.243 63.049 62.100 -0.491 0.000 1.140 213 T CB -1.421 67.183 68.868 -0.439 0.000 0.864 213 T HN 0.437 nan 8.240 nan 0.000 0.455 214 P HA 0.020 nan 4.420 nan 0.000 0.220 214 P C 1.484 178.618 177.300 -0.278 0.000 1.148 214 P CA 0.896 63.772 63.100 -0.373 0.000 0.803 214 P CB -0.242 31.065 31.700 -0.655 0.000 0.782 215 I N -0.329 120.008 120.570 -0.388 0.000 2.202 215 I HA -0.240 3.921 4.170 -0.015 0.000 0.242 215 I C 2.663 178.709 176.117 -0.118 0.000 1.091 215 I CA 1.525 62.640 61.300 -0.308 0.000 1.368 215 I CB -0.924 36.769 38.000 -0.511 0.000 1.058 215 I HN 0.053 nan 8.210 nan 0.000 0.410 216 H N -0.574 118.469 119.070 -0.045 0.000 2.357 216 H HA -0.109 4.439 4.556 -0.015 0.000 0.301 216 H C 2.396 177.860 175.328 0.227 0.000 1.082 216 H CA 1.028 57.126 56.048 0.084 0.000 1.342 216 H CB -0.048 29.826 29.762 0.186 0.000 1.389 216 H HN 0.086 nan 8.280 nan 0.000 0.511 217 V N 1.248 121.320 119.914 0.263 0.000 2.407 217 V HA -0.235 3.876 4.120 -0.015 0.000 0.248 217 V C 2.400 178.569 176.094 0.124 0.000 1.055 217 V CA 1.453 63.915 62.300 0.269 0.000 1.049 217 V CB -0.452 31.454 31.823 0.139 0.000 0.662 217 V HN 0.366 nan 8.190 nan 0.000 0.455 218 L N -1.014 120.210 121.223 0.002 0.000 2.083 218 L HA -0.177 4.154 4.340 -0.015 0.000 0.209 218 L C 2.358 179.017 176.870 -0.351 0.000 1.083 218 L CA 1.411 56.174 54.840 -0.129 0.000 0.752 218 L CB -0.388 41.640 42.059 -0.052 0.000 0.899 218 L HN 0.315 nan 8.230 nan 0.000 0.433 219 L N -1.847 119.237 121.223 -0.232 0.000 2.056 219 L HA -0.243 4.088 4.340 -0.015 0.000 0.207 219 L C 2.486 179.138 176.870 -0.363 0.000 1.078 219 L CA 1.427 56.035 54.840 -0.387 0.000 0.749 219 L CB -0.577 41.363 42.059 -0.199 0.000 0.901 219 L HN 0.143 nan 8.230 nan 0.000 0.433 220 Y N -0.349 119.921 120.300 -0.050 0.000 2.207 220 Y HA -0.292 4.249 4.550 -0.015 0.000 0.287 220 Y C 2.880 178.689 175.900 -0.151 0.000 1.156 220 Y CA 1.496 59.621 58.100 0.042 0.000 1.182 220 Y CB -0.218 38.345 38.460 0.171 0.000 0.979 220 Y HN 0.082 nan 8.280 nan 0.000 0.521 221 R N 0.317 120.757 120.500 -0.101 0.000 2.066 221 R HA -0.159 4.172 4.340 -0.015 0.000 0.232 221 R C 2.404 178.374 176.300 -0.550 0.000 1.131 221 R CA 1.231 57.195 56.100 -0.227 0.000 0.955 221 R CB -0.470 29.711 30.300 -0.198 0.000 0.851 221 R HN 0.284 nan 8.270 nan 0.000 0.432 222 A N 0.181 122.335 122.820 -1.110 0.000 1.908 222 A HA -0.157 4.154 4.320 -0.015 0.000 0.218 222 A C 1.779 178.759 177.584 -1.007 0.000 1.181 222 A CA 1.329 52.340 52.037 -1.709 0.000 0.627 222 A CB -0.624 17.145 19.000 -2.051 0.000 0.818 222 A HN 0.407 nan 8.150 nan 0.000 0.445 223 F N -0.737 118.721 119.950 -0.819 0.000 2.710 223 F HA 0.308 4.827 4.527 -0.015 0.000 0.298 223 F C 1.899 177.226 175.800 -0.789 0.000 1.137 223 F CA 0.386 57.777 58.000 -1.016 0.000 1.444 223 F CB -0.362 37.373 39.000 -2.109 0.000 1.111 223 F HN 0.376 nan 8.300 nan 0.000 0.580 224 G N -0.839 107.781 108.800 -0.300 0.000 2.160 224 G HA2 -0.259 3.692 3.960 -0.015 0.000 0.244 224 G HA3 -0.259 3.692 3.960 -0.015 0.000 0.244 224 G C -0.143 174.850 174.900 0.155 0.000 1.022 224 G CA -0.313 44.756 45.100 -0.052 0.000 0.741 224 G HN 0.141 nan 8.290 nan 0.000 0.508 225 W N 0.228 121.568 121.300 0.065 0.000 2.497 225 W HA 0.632 5.283 4.660 -0.015 0.000 0.359 225 W C 0.585 177.182 176.519 0.130 0.000 1.131 225 W CA -1.675 55.714 57.345 0.073 0.000 1.280 225 W CB 0.573 29.996 29.460 -0.062 0.000 1.319 225 W HN 0.191 nan 8.180 nan 0.000 0.626 226 E N 1.145 121.549 120.200 0.339 0.000 2.229 226 E HA 0.465 4.806 4.350 -0.015 0.000 0.283 226 E C -0.125 176.423 176.600 -0.087 0.000 1.030 226 E CA -0.399 56.073 56.400 0.120 0.000 0.836 226 E CB 1.111 30.853 29.700 0.070 0.000 1.068 226 E HN 0.349 nan 8.360 nan 0.000 0.401 227 A N 5.181 127.851 122.820 -0.250 0.000 2.388 227 A HA 0.345 4.656 4.320 -0.015 0.000 0.257 227 A C -1.821 175.454 177.584 -0.516 0.000 1.095 227 A CA -1.049 50.578 52.037 -0.684 0.000 0.791 227 A CB -0.057 18.774 19.000 -0.282 0.000 1.029 227 A HN 0.456 nan 8.150 nan 0.000 0.489 228 P HA 0.383 nan 4.420 nan 0.000 0.282 228 P C -0.575 176.328 177.300 -0.661 0.000 1.287 228 P CA -0.708 62.076 63.100 -0.527 0.000 0.792 228 P CB 0.709 32.127 31.700 -0.471 0.000 1.163 229 R N -0.338 119.918 120.500 -0.408 0.000 2.490 229 R HA 0.400 4.732 4.340 -0.015 0.000 0.280 229 R C -0.570 175.410 176.300 -0.534 0.000 1.077 229 R CA 0.218 56.090 56.100 -0.380 0.000 1.065 229 R CB -0.168 30.034 30.300 -0.164 0.000 1.003 229 R HN 0.331 nan 8.270 nan 0.000 0.470 230 F N 3.251 123.031 119.950 -0.283 0.000 2.482 230 F HA 0.370 4.889 4.527 -0.015 0.000 0.331 230 F C -0.805 174.707 175.800 -0.480 0.000 1.115 230 F CA -0.534 57.342 58.000 -0.207 0.000 0.955 230 F CB 1.272 40.266 39.000 -0.010 0.000 1.136 230 F HN 0.357 nan 8.300 nan 0.000 0.452 231 Y N 2.338 122.528 120.300 -0.184 0.000 2.329 231 Y HA 0.370 4.912 4.550 -0.015 0.000 0.328 231 Y C -0.330 175.370 175.900 -0.333 0.000 0.992 231 Y CA -0.959 56.928 58.100 -0.355 0.000 1.151 231 Y CB 1.077 39.102 38.460 -0.726 0.000 1.150 231 Y HN 0.466 nan 8.280 nan 0.000 0.450 232 H N 4.668 123.809 119.070 0.119 0.000 2.556 232 H HA 0.342 4.889 4.556 -0.015 0.000 0.310 232 H C -0.290 175.097 175.328 0.100 0.000 1.057 232 H CA -0.529 55.599 56.048 0.133 0.000 1.264 232 H CB 1.239 31.069 29.762 0.112 0.000 1.404 232 H HN 0.532 nan 8.280 nan 0.000 0.462 233 M N 4.384 124.072 119.600 0.146 0.000 2.211 233 M HA 0.218 4.689 4.480 -0.015 0.000 0.356 233 M C -2.236 174.156 176.300 0.153 0.000 1.216 233 M CA -2.549 52.801 55.300 0.083 0.000 1.134 233 M CB 0.398 32.916 32.600 -0.137 0.000 1.564 233 M HN 0.228 nan 8.290 nan 0.000 0.463 234 P HA 0.136 nan 4.420 nan 0.000 0.266 234 P C -0.392 177.009 177.300 0.169 0.000 1.195 234 P CA -0.101 63.082 63.100 0.138 0.000 0.768 234 P CB 0.373 32.144 31.700 0.118 0.000 0.838 235 L N 2.907 124.181 121.223 0.085 0.000 2.461 235 L HA 0.122 4.453 4.340 -0.015 0.000 0.272 235 L C 0.710 177.565 176.870 -0.025 0.000 1.197 235 L CA -0.337 54.530 54.840 0.045 0.000 0.836 235 L CB -0.093 41.958 42.059 -0.013 0.000 1.105 235 L HN 0.219 nan 8.230 nan 0.000 0.477 236 L N 3.854 125.006 121.223 -0.118 0.000 2.410 236 L HA 0.237 4.568 4.340 -0.015 0.000 0.273 236 L C 0.178 177.017 176.870 -0.052 0.000 1.152 236 L CA -0.229 54.505 54.840 -0.178 0.000 0.855 236 L CB 0.139 42.004 42.059 -0.323 0.000 1.129 236 L HN 0.547 nan 8.230 nan 0.000 0.463 237 R N 2.239 122.742 120.500 0.005 0.000 2.778 237 R HA 0.444 4.776 4.340 -0.015 0.000 0.277 237 R C -0.596 175.755 176.300 0.085 0.000 0.977 237 R CA -1.025 55.096 56.100 0.035 0.000 0.950 237 R CB 1.097 31.413 30.300 0.027 0.000 1.165 237 R HN 0.521 nan 8.270 nan 0.000 0.474 238 N N 1.535 120.277 118.700 0.071 0.000 2.445 238 N HA 0.156 4.887 4.740 -0.015 0.000 0.264 238 N C -1.722 173.829 175.510 0.067 0.000 1.227 238 N CA -1.432 51.669 53.050 0.086 0.000 0.963 238 N CB 0.580 39.102 38.487 0.057 0.000 1.188 238 N HN 0.115 nan 8.380 nan 0.000 0.491 239 P HA -0.158 nan 4.420 nan 0.000 0.218 239 P C 0.191 177.511 177.300 0.033 0.000 1.146 239 P CA 1.377 64.506 63.100 0.048 0.000 0.813 239 P CB 0.061 31.787 31.700 0.043 0.000 0.778 240 D N -2.246 118.171 120.400 0.029 0.000 2.319 240 D HA 0.009 4.640 4.640 -0.015 0.000 0.230 240 D C 0.552 176.862 176.300 0.017 0.000 1.094 240 D CA -0.054 53.957 54.000 0.020 0.000 0.856 240 D CB -0.293 40.516 40.800 0.015 0.000 0.915 240 D HN -0.158 nan 8.370 nan 0.000 0.517 241 K N -1.878 118.534 120.400 0.021 0.000 3.553 241 K HA -0.175 4.136 4.320 -0.015 0.000 0.303 241 K C 0.275 176.882 176.600 0.011 0.000 1.327 241 K CA 1.329 57.626 56.287 0.017 0.000 0.983 241 K CB -2.618 29.889 32.500 0.011 0.000 1.275 241 K HN 0.403 nan 8.250 nan 0.000 0.453 242 T N 0.630 115.191 114.554 0.011 0.000 2.910 242 T HA 0.254 4.596 4.350 -0.015 0.000 0.293 242 T C -0.165 174.537 174.700 0.004 0.000 1.015 242 T CA -0.654 61.448 62.100 0.004 0.000 1.094 242 T CB 0.685 69.554 68.868 0.002 0.000 0.968 242 T HN 0.231 nan 8.240 nan 0.000 0.521 243 K N 4.919 125.315 120.400 -0.008 0.000 2.451 243 K HA 0.106 4.417 4.320 -0.015 0.000 0.280 243 K C 0.147 176.744 176.600 -0.005 0.000 1.020 243 K CA -0.215 56.063 56.287 -0.014 0.000 1.008 243 K CB 0.136 32.616 32.500 -0.033 0.000 0.917 243 K HN 0.588 nan 8.250 nan 0.000 0.478 244 I N 2.942 123.513 120.570 0.000 0.000 2.710 244 I HA -0.085 4.076 4.170 -0.015 0.000 0.286 244 I C 0.513 176.643 176.117 0.021 0.000 1.181 244 I CA 0.531 61.836 61.300 0.010 0.000 1.430 244 I CB 1.075 39.068 38.000 -0.012 0.000 1.367 244 I HN 0.610 nan 8.210 nan 0.000 0.577 245 S N 4.822 120.532 115.700 0.017 0.000 2.541 245 S HA 0.269 4.730 4.470 -0.015 0.000 0.280 245 S C 0.597 175.203 174.600 0.011 0.000 1.112 245 S CA -0.998 57.226 58.200 0.040 0.000 0.925 245 S CB 1.581 64.786 63.200 0.009 0.000 1.067 245 S HN 0.729 nan 8.310 nan 0.000 0.479 246 K N 2.812 123.248 120.400 0.059 0.000 2.360 246 K HA 0.011 4.322 4.320 -0.015 0.000 0.201 246 K C 1.198 177.763 176.600 -0.059 0.000 1.046 246 K CA 0.875 57.143 56.287 -0.032 0.000 0.945 246 K CB -0.100 32.422 32.500 0.037 0.000 0.750 246 K HN 0.519 nan 8.250 nan 0.000 0.464 247 R N 0.631 121.111 120.500 -0.034 0.000 2.297 247 R HA 0.114 4.445 4.340 -0.015 0.000 0.197 247 R C 1.274 177.530 176.300 -0.075 0.000 0.943 247 R CA 0.527 56.597 56.100 -0.049 0.000 1.038 247 R CB 0.218 30.503 30.300 -0.024 0.000 0.957 247 R HN 0.203 nan 8.270 nan 0.000 0.484 248 K N -0.476 119.874 120.400 -0.083 0.000 2.435 248 K HA 0.123 4.435 4.320 -0.015 0.000 0.199 248 K C 0.261 176.774 176.600 -0.145 0.000 1.153 248 K CA 0.288 56.520 56.287 -0.092 0.000 0.974 248 K CB 1.203 33.671 32.500 -0.052 0.000 0.997 248 K HN 0.041 nan 8.250 nan 0.000 0.547 249 S N -0.589 115.002 115.700 -0.181 0.000 2.688 249 S HA 0.312 4.773 4.470 -0.015 0.000 0.275 249 S C -0.996 173.389 174.600 -0.359 0.000 1.175 249 S CA -1.074 56.966 58.200 -0.266 0.000 0.818 249 S CB 0.941 64.082 63.200 -0.099 0.000 1.157 249 S HN 0.024 nan 8.310 nan 0.000 0.482 250 H N 1.895 120.764 119.070 -0.334 0.000 3.017 250 H HA 0.329 4.876 4.556 -0.015 0.000 0.276 250 H C 0.930 176.134 175.328 -0.206 0.000 1.062 250 H CA 0.993 56.718 56.048 -0.538 0.000 1.486 250 H CB 0.617 29.609 29.762 -1.283 0.000 1.507 250 H HN 0.898 nan 8.280 nan 0.000 0.508 251 T N -1.110 113.389 114.554 -0.091 0.000 3.003 251 T HA 0.040 4.381 4.350 -0.015 0.000 0.261 251 T C 1.002 175.675 174.700 -0.046 0.000 1.003 251 T CA -0.445 61.559 62.100 -0.160 0.000 0.917 251 T CB 0.379 68.850 68.868 -0.662 0.000 1.084 251 T HN 0.315 nan 8.240 nan 0.000 0.522 252 S N 1.428 117.169 115.700 0.068 0.000 2.488 252 S HA 0.342 4.803 4.470 -0.015 0.000 0.278 252 S C 1.198 176.027 174.600 0.382 0.000 1.259 252 S CA -0.650 57.648 58.200 0.165 0.000 1.061 252 S CB -0.114 63.176 63.200 0.151 0.000 0.910 252 S HN 0.439 nan 8.310 nan 0.000 0.491 253 L N 3.821 125.240 121.223 0.327 0.000 2.191 253 L HA -0.057 4.274 4.340 -0.015 0.000 0.212 253 L C 1.755 178.776 176.870 0.252 0.000 1.103 253 L CA 0.843 55.923 54.840 0.400 0.000 0.769 253 L CB -0.298 41.947 42.059 0.310 0.000 0.908 253 L HN 0.560 nan 8.230 nan 0.000 0.438 254 D N -1.066 119.416 120.400 0.138 0.000 2.224 254 D HA -0.194 4.437 4.640 -0.015 0.000 0.205 254 D C 1.709 178.033 176.300 0.041 0.000 0.965 254 D CA 0.760 54.757 54.000 -0.005 0.000 0.852 254 D CB -0.077 40.724 40.800 0.002 0.000 0.947 254 D HN 0.400 nan 8.370 nan 0.000 0.494 255 W N 0.431 121.710 121.300 -0.034 0.000 2.381 255 W HA -0.190 4.461 4.660 -0.015 0.000 0.301 255 W C 1.806 178.270 176.519 -0.093 0.000 1.205 255 W CA 1.184 58.455 57.345 -0.124 0.000 1.285 255 W CB -0.553 28.758 29.460 -0.249 0.000 1.133 255 W HN -0.059 nan 8.180 nan 0.000 0.521 256 Y N 0.798 121.240 120.300 0.238 0.000 2.224 256 Y HA -0.247 4.294 4.550 -0.014 0.000 0.289 256 Y C 2.657 178.688 175.900 0.219 0.000 1.146 256 Y CA 2.324 60.542 58.100 0.198 0.000 1.182 256 Y CB -0.842 37.782 38.460 0.272 0.000 0.983 256 Y HN -0.058 nan 8.280 nan 0.000 0.524 257 K N 0.294 120.778 120.400 0.139 0.000 2.025 257 K HA -0.155 4.156 4.320 -0.015 0.000 0.207 257 K C 2.262 178.872 176.600 0.017 0.000 1.049 257 K CA 1.171 57.392 56.287 -0.109 0.000 0.933 257 K CB -0.317 31.648 32.500 -0.892 0.000 0.714 257 K HN 0.236 nan 8.250 nan 0.000 0.438 258 A N 1.061 123.817 122.820 -0.106 0.000 2.067 258 A HA -0.098 4.213 4.320 -0.015 0.000 0.219 258 A C 1.561 179.126 177.584 -0.032 0.000 1.158 258 A CA 1.253 53.241 52.037 -0.080 0.000 0.661 258 A CB -0.218 18.682 19.000 -0.167 0.000 0.801 258 A HN 0.322 nan 8.150 nan 0.000 0.452 259 E N -1.184 118.864 120.200 -0.252 0.000 2.502 259 E HA 0.157 4.498 4.350 -0.015 0.000 0.194 259 E C 1.154 177.549 176.600 -0.341 0.000 1.062 259 E CA 0.674 56.846 56.400 -0.381 0.000 0.867 259 E CB -0.088 29.156 29.700 -0.760 0.000 0.888 259 E HN 0.780 nan 8.360 nan 0.000 0.510 260 G N 1.142 109.837 108.800 -0.175 0.000 2.131 260 G HA2 -0.257 3.694 3.960 -0.015 0.000 0.223 260 G HA3 -0.257 3.694 3.960 -0.015 0.000 0.223 260 G C -0.083 174.640 174.900 -0.295 0.000 0.990 260 G CA -0.314 44.495 45.100 -0.485 0.000 0.671 260 G HN 0.160 nan 8.290 nan 0.000 0.521 261 F N 0.133 120.112 119.950 0.048 0.000 2.412 261 F HA 0.620 5.139 4.527 -0.014 0.000 0.348 261 F C 0.962 176.857 175.800 0.159 0.000 1.102 261 F CA -0.905 57.159 58.000 0.108 0.000 1.196 261 F CB 0.907 40.052 39.000 0.241 0.000 1.144 261 F HN -0.070 nan 8.300 nan 0.000 0.541 262 L N 6.596 127.897 121.223 0.131 0.000 2.380 262 L HA 0.188 4.519 4.340 -0.015 0.000 0.273 262 L C -1.146 175.582 176.870 -0.235 0.000 1.138 262 L CA -1.526 53.300 54.840 -0.023 0.000 0.832 262 L CB 0.174 42.140 42.059 -0.156 0.000 1.124 262 L HN 0.367 nan 8.230 nan 0.000 0.454 263 P HA -0.164 nan 4.420 nan 0.000 0.218 263 P C 0.771 177.691 177.300 -0.634 0.000 1.149 263 P CA 1.227 63.710 63.100 -1.028 0.000 0.817 263 P CB 0.464 31.183 31.700 -1.635 0.000 0.785 264 E N 0.349 120.230 120.200 -0.533 0.000 2.150 264 E HA -0.075 4.266 4.350 -0.015 0.000 0.193 264 E C 2.305 178.450 176.600 -0.758 0.000 0.985 264 E CA 1.440 57.529 56.400 -0.518 0.000 0.814 264 E CB -0.879 28.580 29.700 -0.401 0.000 0.752 264 E HN 0.233 nan 8.360 nan 0.000 0.466 265 A N 0.723 122.990 122.820 -0.922 0.000 1.854 265 A HA -0.092 4.220 4.320 -0.015 0.000 0.214 265 A C 2.123 179.505 177.584 -0.337 0.000 1.192 265 A CA 1.017 52.535 52.037 -0.865 0.000 0.611 265 A CB -0.644 18.001 19.000 -0.592 0.000 0.832 265 A HN 0.265 nan 8.150 nan 0.000 0.442 266 L N -0.007 121.070 121.223 -0.243 0.000 2.042 266 L HA -0.145 4.186 4.340 -0.015 0.000 0.210 266 L C 2.424 179.231 176.870 -0.105 0.000 1.076 266 L CA 2.314 57.083 54.840 -0.118 0.000 0.749 266 L CB -0.663 41.315 42.059 -0.135 0.000 0.893 266 L HN 0.411 nan 8.230 nan 0.000 0.432 267 R N 0.172 120.536 120.500 -0.227 0.000 2.073 267 R HA -0.240 4.091 4.340 -0.015 0.000 0.234 267 R C 2.130 178.297 176.300 -0.223 0.000 1.134 267 R CA 2.233 58.202 56.100 -0.218 0.000 0.952 267 R CB -1.121 29.014 30.300 -0.276 0.000 0.850 267 R HN 0.696 nan 8.270 nan 0.000 0.433 268 N N -0.906 117.643 118.700 -0.252 0.000 2.149 268 N HA -0.233 4.498 4.740 -0.015 0.000 0.188 268 N C 1.807 177.234 175.510 -0.138 0.000 1.019 268 N CA 1.134 54.001 53.050 -0.305 0.000 0.857 268 N CB -0.186 38.159 38.487 -0.237 0.000 0.997 268 N HN 0.222 nan 8.380 nan 0.000 0.426 269 Y N 1.317 121.532 120.300 -0.141 0.000 2.200 269 Y HA -0.015 4.527 4.550 -0.014 0.000 0.290 269 Y C 1.822 177.754 175.900 0.053 0.000 1.137 269 Y CA 1.123 59.205 58.100 -0.030 0.000 1.163 269 Y CB -0.314 38.120 38.460 -0.044 0.000 0.988 269 Y HN 0.084 nan 8.280 nan 0.000 0.518 270 L N -1.611 119.623 121.223 0.018 0.000 2.191 270 L HA -0.273 4.059 4.340 -0.015 0.000 0.212 270 L C 2.494 179.434 176.870 0.117 0.000 1.103 270 L CA 0.990 55.869 54.840 0.066 0.000 0.769 270 L CB -0.816 41.329 42.059 0.143 0.000 0.908 270 L HN 0.288 nan 8.230 nan 0.000 0.438 271 C N -0.110 119.128 119.300 -0.103 0.000 2.422 271 C HA -0.123 4.328 4.460 -0.015 0.000 0.279 271 C C 2.551 177.711 174.990 0.283 0.000 1.305 271 C CA 0.512 59.372 59.018 -0.264 0.000 1.757 271 C CB -0.730 26.708 27.740 -0.503 0.000 1.962 271 C HN 0.450 nan 8.230 nan 0.000 0.499 272 L N -0.276 121.084 121.223 0.229 0.000 2.554 272 L HA -0.029 4.302 4.340 -0.015 0.000 0.226 272 L C 2.451 179.434 176.870 0.188 0.000 1.137 272 L CA 0.326 55.337 54.840 0.284 0.000 0.863 272 L CB -0.457 41.717 42.059 0.190 0.000 0.985 272 L HN 0.319 nan 8.230 nan 0.000 0.451 273 M N -0.142 119.547 119.600 0.149 0.000 2.064 273 M HA -0.016 4.455 4.480 -0.015 0.000 0.260 273 M C 1.688 178.134 176.300 0.244 0.000 1.073 273 M CA 1.482 56.833 55.300 0.086 0.000 1.124 273 M CB -1.286 31.273 32.600 -0.068 0.000 1.326 273 M HN 0.221 nan 8.290 nan 0.000 0.410 274 G N -1.300 107.783 108.800 0.470 0.000 4.291 274 G HA2 0.403 4.354 3.960 -0.015 0.000 0.304 274 G HA3 0.403 4.354 3.960 -0.015 0.000 0.304 274 G C -0.861 174.403 174.900 0.608 0.000 1.264 274 G CA -0.102 45.211 45.100 0.356 0.000 1.039 274 G HN 0.280 nan 8.290 nan 0.000 0.578 275 F N 0.906 121.093 119.950 0.396 0.000 2.765 275 F HA 0.518 5.036 4.527 -0.015 0.000 0.313 275 F C -1.242 174.720 175.800 0.269 0.000 1.136 275 F CA -0.970 57.251 58.000 0.368 0.000 0.952 275 F CB 1.157 40.534 39.000 0.629 0.000 1.268 275 F HN 0.190 nan 8.300 nan 0.000 0.441 276 S N 5.025 120.299 115.700 -0.710 0.000 2.541 276 S HA 0.728 5.189 4.470 -0.015 0.000 0.280 276 S C -0.987 173.122 174.600 -0.819 0.000 1.112 276 S CA -0.843 57.091 58.200 -0.443 0.000 0.925 276 S CB 1.942 65.017 63.200 -0.208 0.000 1.067 276 S HN 0.849 nan 8.310 nan 0.000 0.479 277 M N 2.885 122.304 119.600 -0.301 0.000 2.242 277 M HA 0.408 4.879 4.480 -0.015 0.000 0.344 277 M C -1.889 174.303 176.300 -0.180 0.000 1.140 277 M CA -1.792 53.377 55.300 -0.217 0.000 1.160 277 M CB 0.293 32.814 32.600 -0.131 0.000 1.491 277 M HN 0.462 nan 8.290 nan 0.000 0.459 278 P HA -0.189 nan 4.420 nan 0.000 0.213 278 P C 0.401 177.667 177.300 -0.057 0.000 1.170 278 P CA 1.605 64.646 63.100 -0.100 0.000 0.902 278 P CB -0.170 31.489 31.700 -0.068 0.000 0.789 279 D N -1.802 118.579 120.400 -0.031 0.000 2.392 279 D HA -0.002 4.629 4.640 -0.015 0.000 0.228 279 D C 1.392 177.698 176.300 0.011 0.000 1.003 279 D CA 1.093 55.090 54.000 -0.005 0.000 0.917 279 D CB -1.125 39.680 40.800 0.009 0.000 0.890 279 D HN 0.321 nan 8.370 nan 0.000 0.532 280 G N 0.159 108.963 108.800 0.006 0.000 2.176 280 G HA2 -0.349 3.603 3.960 -0.015 0.000 0.253 280 G HA3 -0.349 3.603 3.960 -0.015 0.000 0.253 280 G C 0.301 175.264 174.900 0.106 0.000 0.979 280 G CA -0.013 45.110 45.100 0.039 0.000 0.641 280 G HN 0.477 nan 8.290 nan 0.000 0.530 281 R N 0.307 120.882 120.500 0.125 0.000 2.638 281 R HA 0.250 4.582 4.340 -0.015 0.000 0.268 281 R C 1.139 177.664 176.300 0.375 0.000 1.006 281 R CA 0.866 57.096 56.100 0.217 0.000 1.088 281 R CB 0.304 30.739 30.300 0.226 0.000 0.950 281 R HN 0.534 nan 8.270 nan 0.000 0.419 282 E N 1.284 121.707 120.200 0.372 0.000 2.413 282 E HA 0.093 4.434 4.350 -0.015 0.000 0.203 282 E C 0.021 176.773 176.600 0.254 0.000 0.957 282 E CA 0.255 56.899 56.400 0.407 0.000 0.950 282 E CB 0.564 30.477 29.700 0.354 0.000 0.957 282 E HN 0.350 nan 8.360 nan 0.000 0.497 283 I N 2.408 123.101 120.570 0.205 0.000 2.328 283 I HA 0.296 4.457 4.170 -0.015 0.000 0.287 283 I C -0.483 175.701 176.117 0.111 0.000 1.012 283 I CA -0.427 60.859 61.300 -0.023 0.000 1.195 283 I CB -0.394 37.523 38.000 -0.139 0.000 1.350 283 I HN -0.076 nan 8.210 nan 0.000 0.464 284 F N 2.296 122.305 119.950 0.099 0.000 2.713 284 F HA 0.673 5.192 4.527 -0.014 0.000 0.311 284 F C 0.146 176.018 175.800 0.119 0.000 1.141 284 F CA -1.177 56.882 58.000 0.098 0.000 0.939 284 F CB 0.867 39.948 39.000 0.135 0.000 1.325 284 F HN 0.351 nan 8.300 nan 0.000 0.453 285 T N -0.555 114.194 114.554 0.324 0.000 2.816 285 T HA 0.295 4.636 4.350 -0.015 0.000 0.282 285 T C 0.759 175.627 174.700 0.280 0.000 0.993 285 T CA -0.346 61.883 62.100 0.214 0.000 0.994 285 T CB 1.290 70.249 68.868 0.152 0.000 1.025 285 T HN 0.926 nan 8.240 nan 0.000 0.529 286 L N 0.345 121.665 121.223 0.162 0.000 2.083 286 L HA 0.061 4.393 4.340 -0.015 0.000 0.209 286 L C 2.500 179.510 176.870 0.234 0.000 1.083 286 L CA 1.979 56.930 54.840 0.185 0.000 0.752 286 L CB -1.284 40.824 42.059 0.082 0.000 0.899 286 L HN 0.886 nan 8.230 nan 0.000 0.433 287 E N 0.104 120.400 120.200 0.160 0.000 2.106 287 E HA -0.208 4.133 4.350 -0.015 0.000 0.192 287 E C 2.079 178.742 176.600 0.105 0.000 0.984 287 E CA 1.501 57.966 56.400 0.109 0.000 0.806 287 E CB -0.121 29.622 29.700 0.072 0.000 0.750 287 E HN 0.649 nan 8.360 nan 0.000 0.458 288 E N -0.958 119.339 120.200 0.163 0.000 2.106 288 E HA -0.149 4.192 4.350 -0.015 0.000 0.192 288 E C 1.739 178.403 176.600 0.107 0.000 0.984 288 E CA 0.782 57.262 56.400 0.134 0.000 0.806 288 E CB -0.254 29.564 29.700 0.196 0.000 0.750 288 E HN 0.290 nan 8.360 nan 0.000 0.458 289 F N 1.580 121.554 119.950 0.039 0.000 2.102 289 F HA -0.167 4.352 4.527 -0.014 0.000 0.298 289 F C 1.918 177.619 175.800 -0.164 0.000 1.105 289 F CA 1.286 59.224 58.000 -0.104 0.000 1.239 289 F CB -0.243 38.776 39.000 0.031 0.000 0.991 289 F HN -0.103 nan 8.300 nan 0.000 0.474 290 I N 0.233 120.684 120.570 -0.198 0.000 2.226 290 I HA -0.331 3.830 4.170 -0.015 0.000 0.245 290 I C 2.360 178.350 176.117 -0.213 0.000 1.100 290 I CA 1.551 62.658 61.300 -0.323 0.000 1.374 290 I CB -0.674 37.218 38.000 -0.179 0.000 1.057 290 I HN 0.259 nan 8.210 nan 0.000 0.413 291 Q N 0.471 120.204 119.800 -0.112 0.000 2.167 291 Q HA -0.115 4.217 4.340 -0.015 0.000 0.202 291 Q C 2.149 178.113 176.000 -0.060 0.000 0.970 291 Q CA 1.554 57.315 55.803 -0.071 0.000 0.855 291 Q CB -0.176 28.543 28.738 -0.032 0.000 0.911 291 Q HN 0.571 nan 8.270 nan 0.000 0.438 292 A N -0.012 122.762 122.820 -0.076 0.000 2.238 292 A HA 0.079 4.390 4.320 -0.015 0.000 0.210 292 A C 0.298 177.879 177.584 -0.005 0.000 1.179 292 A CA -0.500 51.532 52.037 -0.008 0.000 0.827 292 A CB -0.089 18.946 19.000 0.059 0.000 0.856 292 A HN 0.297 nan 8.150 nan 0.000 0.488 293 F N 1.448 121.167 119.950 -0.385 0.000 2.578 293 F HA 0.398 4.916 4.527 -0.015 0.000 0.381 293 F C 0.584 176.281 175.800 -0.171 0.000 1.069 293 F CA 1.435 59.132 58.000 -0.506 0.000 1.231 293 F CB 0.508 39.002 39.000 -0.843 0.000 1.086 293 F HN 0.019 nan 8.300 nan 0.000 0.564 294 T N 5.033 119.000 114.554 -0.978 0.000 3.012 294 T HA 0.143 4.484 4.350 -0.015 0.000 0.330 294 T C 0.014 174.236 174.700 -0.796 0.000 1.321 294 T CA -0.645 61.088 62.100 -0.611 0.000 1.067 294 T CB 0.226 68.998 68.868 -0.160 0.000 1.235 294 T HN 0.661 nan 8.240 nan 0.000 0.479 295 W N 1.775 122.833 121.300 -0.404 0.000 2.525 295 W HA 0.096 4.747 4.660 -0.015 0.000 0.259 295 W C 1.978 178.430 176.519 -0.111 0.000 1.253 295 W CA 0.389 57.584 57.345 -0.251 0.000 1.262 295 W CB 0.117 29.485 29.460 -0.152 0.000 1.122 295 W HN 0.797 nan 8.180 nan 0.000 0.607 296 E N 0.210 120.458 120.200 0.079 0.000 2.268 296 E HA -0.122 4.219 4.350 -0.015 0.000 0.195 296 E C 1.654 178.252 176.600 -0.003 0.000 0.995 296 E CA 0.755 57.185 56.400 0.051 0.000 0.836 296 E CB -0.207 29.508 29.700 0.024 0.000 0.763 296 E HN 0.327 nan 8.360 nan 0.000 0.491 297 R N 0.690 121.150 120.500 -0.067 0.000 2.427 297 R HA 0.156 4.487 4.340 -0.015 0.000 0.262 297 R C -0.412 175.854 176.300 -0.056 0.000 0.943 297 R CA -0.084 55.923 56.100 -0.154 0.000 1.081 297 R CB 0.837 30.889 30.300 -0.414 0.000 1.166 297 R HN -0.054 nan 8.270 nan 0.000 0.534 298 V N 1.528 121.502 119.914 0.100 0.000 2.385 298 V HA 0.071 4.182 4.120 -0.015 0.000 0.269 298 V C 0.525 176.716 176.094 0.161 0.000 1.043 298 V CA -0.236 62.198 62.300 0.223 0.000 0.906 298 V CB 1.367 33.407 31.823 0.362 0.000 0.995 298 V HN 0.134 nan 8.190 nan 0.000 0.467 299 S N 4.234 120.014 115.700 0.133 0.000 2.576 299 S HA 0.355 4.816 4.470 -0.015 0.000 0.276 299 S C 0.953 175.616 174.600 0.105 0.000 1.339 299 S CA -0.441 57.816 58.200 0.095 0.000 1.039 299 S CB 0.614 63.860 63.200 0.077 0.000 0.902 299 S HN 0.611 nan 8.310 nan 0.000 0.516 300 L N 3.296 124.567 121.223 0.080 0.000 2.463 300 L HA 0.285 4.617 4.340 -0.015 0.000 0.219 300 L C 1.675 178.581 176.870 0.060 0.000 1.088 300 L CA 0.008 54.893 54.840 0.075 0.000 0.849 300 L CB -0.812 41.283 42.059 0.059 0.000 1.012 300 L HN 0.753 nan 8.230 nan 0.000 0.468 301 G N 0.005 108.836 108.800 0.051 0.000 2.664 301 G HA2 0.274 4.225 3.960 -0.015 0.000 0.242 301 G HA3 0.274 4.225 3.960 -0.015 0.000 0.242 301 G C 0.277 175.204 174.900 0.045 0.000 1.225 301 G CA -0.005 45.119 45.100 0.040 0.000 0.849 301 G HN 0.206 nan 8.290 nan 0.000 0.581 302 G N 0.705 109.525 108.800 0.033 0.000 2.360 302 G HA2 0.465 4.417 3.960 -0.015 0.000 0.279 302 G HA3 0.465 4.417 3.960 -0.015 0.000 0.279 302 G C -2.405 172.512 174.900 0.028 0.000 1.189 302 G CA -0.653 44.464 45.100 0.029 0.000 0.941 302 G HN 0.430 nan 8.290 nan 0.000 0.445 303 P HA 0.150 nan 4.420 nan 0.000 0.271 303 P C -0.085 177.224 177.300 0.015 0.000 1.226 303 P CA -0.356 62.752 63.100 0.012 0.000 0.765 303 P CB 1.272 32.962 31.700 -0.016 0.000 0.835 304 V N 5.346 125.284 119.914 0.040 0.000 2.408 304 V HA 0.135 4.246 4.120 -0.015 0.000 0.267 304 V C 0.125 176.298 176.094 0.132 0.000 1.047 304 V CA -0.175 62.173 62.300 0.080 0.000 0.937 304 V CB -0.306 31.560 31.823 0.071 0.000 0.999 304 V HN 0.441 nan 8.190 nan 0.000 0.472 305 F N 5.060 125.022 119.950 0.020 0.000 2.377 305 F HA 0.422 4.940 4.527 -0.015 0.000 0.360 305 F C 0.167 176.090 175.800 0.205 0.000 1.147 305 F CA -0.522 57.541 58.000 0.105 0.000 1.170 305 F CB 0.486 39.496 39.000 0.017 0.000 1.339 305 F HN 0.513 nan 8.300 nan 0.000 0.552 306 D N 5.693 126.105 120.400 0.021 0.000 2.329 306 D HA 0.087 4.719 4.640 -0.015 0.000 0.232 306 D C 0.830 177.000 176.300 -0.218 0.000 1.088 306 D CA -0.409 53.571 54.000 -0.033 0.000 0.835 306 D CB 1.456 42.278 40.800 0.038 0.000 1.078 306 D HN 0.578 nan 8.370 nan 0.000 0.495 307 L N 4.368 125.522 121.223 -0.116 0.000 2.127 307 L HA -0.107 4.224 4.340 -0.015 0.000 0.211 307 L C 1.653 178.518 176.870 -0.008 0.000 1.089 307 L CA 1.835 56.642 54.840 -0.055 0.000 0.757 307 L CB -0.284 41.854 42.059 0.132 0.000 0.899 307 L HN 0.431 nan 8.230 nan 0.000 0.434 308 E N -0.226 119.980 120.200 0.009 0.000 2.106 308 E HA -0.235 4.106 4.350 -0.015 0.000 0.192 308 E C 2.143 178.756 176.600 0.021 0.000 0.984 308 E CA 1.019 57.444 56.400 0.043 0.000 0.806 308 E CB -0.175 29.547 29.700 0.035 0.000 0.750 308 E HN 0.385 nan 8.360 nan 0.000 0.458 309 K N 1.282 121.633 120.400 -0.081 0.000 2.103 309 K HA 0.001 4.312 4.320 -0.015 0.000 0.204 309 K C 2.091 178.550 176.600 -0.235 0.000 1.052 309 K CA 0.505 56.733 56.287 -0.097 0.000 0.945 309 K CB -0.465 31.981 32.500 -0.090 0.000 0.722 309 K HN 0.083 nan 8.250 nan 0.000 0.443 310 L N 0.481 121.346 121.223 -0.595 0.000 2.017 310 L HA -0.193 4.138 4.340 -0.015 0.000 0.208 310 L C 2.235 179.095 176.870 -0.017 0.000 1.073 310 L CA 1.602 56.073 54.840 -0.615 0.000 0.745 310 L CB -0.235 41.448 42.059 -0.627 0.000 0.894 310 L HN 0.252 nan 8.230 nan 0.000 0.432 311 R N -1.159 119.444 120.500 0.172 0.000 2.105 311 R HA -0.263 4.068 4.340 -0.015 0.000 0.239 311 R C 1.977 178.354 176.300 0.128 0.000 1.135 311 R CA 2.113 58.360 56.100 0.246 0.000 0.967 311 R CB -0.596 29.836 30.300 0.221 0.000 0.861 311 R HN 0.541 nan 8.270 nan 0.000 0.442 312 W N 1.317 122.597 121.300 -0.034 0.000 2.358 312 W HA -0.167 4.484 4.660 -0.015 0.000 0.303 312 W C 2.144 178.649 176.519 -0.023 0.000 1.208 312 W CA 1.342 58.665 57.345 -0.037 0.000 1.274 312 W CB -0.236 29.197 29.460 -0.045 0.000 1.138 312 W HN -0.050 nan 8.180 nan 0.000 0.515 313 M N 0.794 120.367 119.600 -0.045 0.000 2.159 313 M HA -0.204 4.267 4.480 -0.015 0.000 0.263 313 M C 1.875 178.100 176.300 -0.125 0.000 1.063 313 M CA 2.306 57.468 55.300 -0.230 0.000 1.110 313 M CB -0.587 32.035 32.600 0.036 0.000 1.374 313 M HN 0.076 nan 8.290 nan 0.000 0.411 314 N N 0.036 118.703 118.700 -0.056 0.000 2.120 314 N HA -0.086 4.645 4.740 -0.015 0.000 0.188 314 N C 1.623 177.064 175.510 -0.115 0.000 1.024 314 N CA 1.891 54.915 53.050 -0.044 0.000 0.852 314 N CB -0.505 37.983 38.487 0.001 0.000 1.003 314 N HN 0.466 nan 8.380 nan 0.000 0.424 315 G N 0.076 108.758 108.800 -0.198 0.000 2.408 315 G HA2 -0.256 3.695 3.960 -0.015 0.000 0.217 315 G HA3 -0.256 3.695 3.960 -0.015 0.000 0.217 315 G C 1.530 176.235 174.900 -0.325 0.000 1.150 315 G CA 0.833 45.775 45.100 -0.264 0.000 0.776 315 G HN 0.373 nan 8.290 nan 0.000 0.542 316 K N -0.858 119.265 120.400 -0.463 0.000 2.148 316 K HA -0.038 4.273 4.320 -0.015 0.000 0.204 316 K C 2.039 178.430 176.600 -0.350 0.000 1.050 316 K CA 0.792 56.771 56.287 -0.513 0.000 0.942 316 K CB -0.310 31.664 32.500 -0.877 0.000 0.724 316 K HN 0.395 nan 8.250 nan 0.000 0.446 317 Y N 0.600 120.706 120.300 -0.324 0.000 2.220 317 Y HA -0.075 4.466 4.550 -0.015 0.000 0.291 317 Y C 1.912 177.689 175.900 -0.206 0.000 1.129 317 Y CA 1.372 59.334 58.100 -0.229 0.000 1.161 317 Y CB 0.084 38.429 38.460 -0.192 0.000 0.997 317 Y HN -0.006 nan 8.280 nan 0.000 0.522 318 I N 0.263 120.790 120.570 -0.071 0.000 2.286 318 I HA -0.303 3.858 4.170 -0.015 0.000 0.248 318 I C 1.783 177.780 176.117 -0.201 0.000 1.115 318 I CA 1.766 62.979 61.300 -0.145 0.000 1.392 318 I CB -0.229 37.628 38.000 -0.239 0.000 1.065 318 I HN 0.261 nan 8.210 nan 0.000 0.418 319 R N 0.033 120.391 120.500 -0.236 0.000 2.437 319 R HA 0.230 4.561 4.340 -0.015 0.000 0.257 319 R C 0.845 177.037 176.300 -0.180 0.000 0.927 319 R CA 0.120 56.091 56.100 -0.216 0.000 1.078 319 R CB 0.163 30.319 30.300 -0.241 0.000 1.161 319 R HN 0.312 nan 8.270 nan 0.000 0.529 320 E N 0.139 120.221 120.200 -0.197 0.000 2.576 320 E HA 0.084 4.425 4.350 -0.015 0.000 0.214 320 E C 1.055 177.535 176.600 -0.200 0.000 0.859 320 E CA 0.065 56.352 56.400 -0.189 0.000 1.399 320 E CB 1.126 30.698 29.700 -0.213 0.000 1.374 320 E HN 0.025 nan 8.360 nan 0.000 0.718 321 V N 0.919 120.692 119.914 -0.235 0.000 2.627 321 V HA 0.069 4.180 4.120 -0.015 0.000 0.239 321 V C 0.776 176.804 176.094 -0.110 0.000 1.077 321 V CA 0.471 62.632 62.300 -0.232 0.000 1.103 321 V CB 0.085 31.645 31.823 -0.438 0.000 0.802 321 V HN 0.034 nan 8.190 nan 0.000 0.482 322 L N 1.090 122.272 121.223 -0.067 0.000 2.466 322 L HA 0.348 4.679 4.340 -0.015 0.000 0.257 322 L C 0.768 177.602 176.870 -0.059 0.000 1.189 322 L CA 0.722 55.539 54.840 -0.039 0.000 0.813 322 L CB 0.709 42.757 42.059 -0.019 0.000 1.118 322 L HN 0.415 nan 8.230 nan 0.000 0.471 323 S N 0.844 116.515 115.700 -0.049 0.000 2.652 323 S HA 0.235 4.696 4.470 -0.015 0.000 0.270 323 S C 0.989 175.553 174.600 -0.060 0.000 1.243 323 S CA -0.669 57.500 58.200 -0.052 0.000 0.999 323 S CB 0.692 63.869 63.200 -0.039 0.000 0.973 323 S HN 0.566 nan 8.310 nan 0.000 0.544 324 L N 0.789 121.975 121.223 -0.062 0.000 2.079 324 L HA -0.082 4.249 4.340 -0.015 0.000 0.210 324 L C 2.124 178.948 176.870 -0.077 0.000 1.081 324 L CA 2.160 56.957 54.840 -0.072 0.000 0.752 324 L CB -1.695 40.327 42.059 -0.062 0.000 0.896 324 L HN 0.828 nan 8.230 nan 0.000 0.433 325 E N -0.030 120.134 120.200 -0.060 0.000 2.150 325 E HA -0.178 4.164 4.350 -0.015 0.000 0.193 325 E C 2.067 178.629 176.600 -0.063 0.000 0.985 325 E CA 1.122 57.487 56.400 -0.058 0.000 0.814 325 E CB -0.071 29.608 29.700 -0.035 0.000 0.752 325 E HN 0.559 nan 8.360 nan 0.000 0.466 326 E N -0.006 120.162 120.200 -0.053 0.000 2.107 326 E HA -0.110 4.231 4.350 -0.015 0.000 0.191 326 E C 2.035 178.598 176.600 -0.062 0.000 0.982 326 E CA 1.023 57.396 56.400 -0.045 0.000 0.809 326 E CB 0.056 29.738 29.700 -0.030 0.000 0.756 326 E HN 0.071 nan 8.360 nan 0.000 0.459 327 V N 1.520 121.388 119.914 -0.078 0.000 2.343 327 V HA -0.265 3.846 4.120 -0.015 0.000 0.247 327 V C 2.360 178.353 176.094 -0.169 0.000 1.051 327 V CA 1.825 64.067 62.300 -0.097 0.000 1.036 327 V CB -0.722 31.047 31.823 -0.090 0.000 0.654 327 V HN 0.307 nan 8.190 nan 0.000 0.451 328 A N -0.480 122.226 122.820 -0.190 0.000 1.908 328 A HA -0.210 4.101 4.320 -0.015 0.000 0.218 328 A C 2.216 179.644 177.584 -0.259 0.000 1.181 328 A CA 1.700 53.576 52.037 -0.269 0.000 0.627 328 A CB -0.409 18.461 19.000 -0.216 0.000 0.818 328 A HN 0.507 nan 8.150 nan 0.000 0.445 329 E N 0.063 120.169 120.200 -0.157 0.000 2.047 329 E HA -0.147 4.195 4.350 -0.015 0.000 0.191 329 E C 2.194 178.743 176.600 -0.086 0.000 0.987 329 E CA 1.046 57.380 56.400 -0.111 0.000 0.799 329 E CB -0.376 29.295 29.700 -0.049 0.000 0.752 329 E HN 0.638 nan 8.360 nan 0.000 0.449 330 R N 0.666 121.131 120.500 -0.059 0.000 2.189 330 R HA -0.065 4.266 4.340 -0.015 0.000 0.223 330 R C 2.380 178.716 176.300 0.061 0.000 1.092 330 R CA 1.223 57.334 56.100 0.017 0.000 0.989 330 R CB -0.343 29.976 30.300 0.030 0.000 0.876 330 R HN 0.162 nan 8.270 nan 0.000 0.457 331 V N -1.586 118.275 119.914 -0.088 0.000 3.306 331 V HA -0.027 4.084 4.120 -0.015 0.000 0.264 331 V C 1.707 177.785 176.094 -0.026 0.000 1.149 331 V CA 0.877 63.138 62.300 -0.065 0.000 1.143 331 V CB -0.326 31.264 31.823 -0.388 0.000 0.767 331 V HN 0.079 nan 8.190 nan 0.000 0.476 332 K N 1.215 121.520 120.400 -0.158 0.000 2.044 332 K HA -0.115 4.196 4.320 -0.015 0.000 0.210 332 K C 0.024 176.631 176.600 0.012 0.000 1.049 332 K CA 2.282 58.458 56.287 -0.185 0.000 0.927 332 K CB -1.543 30.867 32.500 -0.150 0.000 0.713 332 K HN 0.458 nan 8.250 nan 0.000 0.443 333 P HA -0.141 nan 4.420 nan 0.000 0.218 333 P C 0.872 178.012 177.300 -0.268 0.000 1.148 333 P CA 1.246 64.252 63.100 -0.156 0.000 0.822 333 P CB 0.015 31.552 31.700 -0.273 0.000 0.784 334 F N -1.557 118.360 119.950 -0.055 0.000 2.293 334 F HA -0.025 4.493 4.527 -0.015 0.000 0.297 334 F C 2.210 177.973 175.800 -0.061 0.000 1.089 334 F CA 0.897 58.858 58.000 -0.066 0.000 1.377 334 F CB -1.030 37.918 39.000 -0.087 0.000 1.051 334 F HN -0.197 nan 8.300 nan 0.000 0.511 335 L N -0.320 120.957 121.223 0.090 0.000 2.027 335 L HA -0.179 4.152 4.340 -0.015 0.000 0.206 335 L C 2.593 179.497 176.870 0.056 0.000 1.074 335 L CA 1.304 56.154 54.840 0.017 0.000 0.745 335 L CB -0.521 41.515 42.059 -0.038 0.000 0.898 335 L HN 0.027 nan 8.230 nan 0.000 0.433 336 R N -0.107 120.451 120.500 0.096 0.000 2.091 336 R HA -0.237 4.094 4.340 -0.015 0.000 0.238 336 R C 2.154 178.449 176.300 -0.008 0.000 1.136 336 R CA 1.706 57.837 56.100 0.051 0.000 0.959 336 R CB -0.460 29.866 30.300 0.045 0.000 0.856 336 R HN 0.436 nan 8.270 nan 0.000 0.437 337 E N 0.857 121.031 120.200 -0.044 0.000 2.110 337 E HA -0.163 4.178 4.350 -0.015 0.000 0.193 337 E C 1.570 178.156 176.600 -0.023 0.000 0.988 337 E CA 1.179 57.542 56.400 -0.062 0.000 0.804 337 E CB 0.006 29.634 29.700 -0.120 0.000 0.745 337 E HN 0.382 nan 8.360 nan 0.000 0.458 338 A N 0.085 122.903 122.820 -0.003 0.000 2.238 338 A HA 0.220 4.531 4.320 -0.015 0.000 0.208 338 A C 1.469 179.057 177.584 0.007 0.000 1.177 338 A CA 0.843 52.883 52.037 0.005 0.000 0.804 338 A CB -0.380 18.622 19.000 0.003 0.000 0.823 338 A HN 0.433 nan 8.150 nan 0.000 0.482 339 G N -0.842 107.960 108.800 0.003 0.000 2.256 339 G HA2 -0.181 3.770 3.960 -0.015 0.000 0.272 339 G HA3 -0.181 3.770 3.960 -0.015 0.000 0.272 339 G C -0.244 174.667 174.900 0.018 0.000 1.076 339 G CA 0.429 45.532 45.100 0.005 0.000 0.882 339 G HN 0.504 nan 8.290 nan 0.000 0.497 340 L N -0.407 120.831 121.223 0.025 0.000 2.354 340 L HA 0.865 5.196 4.340 -0.015 0.000 0.269 340 L C 0.359 177.268 176.870 0.065 0.000 1.005 340 L CA -0.899 53.969 54.840 0.047 0.000 0.819 340 L CB 2.254 44.315 42.059 0.004 0.000 1.311 340 L HN 0.231 nan 8.230 nan 0.000 0.423 341 S N 0.447 116.197 115.700 0.083 0.000 2.715 341 S HA 0.782 5.244 4.470 -0.015 0.000 0.307 341 S C -2.088 172.679 174.600 0.278 0.000 1.119 341 S CA -0.508 57.675 58.200 -0.027 0.000 0.937 341 S CB 1.437 64.529 63.200 -0.180 0.000 1.150 341 S HN 0.514 nan 8.310 nan 0.000 0.521 342 W N 1.217 122.593 121.300 0.128 0.000 2.900 342 W HA 0.616 5.267 4.660 -0.015 0.000 0.336 342 W C 0.262 176.876 176.519 0.157 0.000 1.064 342 W CA -0.770 56.740 57.345 0.275 0.000 1.237 342 W CB 0.110 29.773 29.460 0.339 0.000 1.391 342 W HN 0.710 nan 8.180 nan 0.000 0.468 343 E N 2.003 122.324 120.200 0.203 0.000 2.114 343 E HA -0.206 4.136 4.350 -0.015 0.000 0.199 343 E C 0.602 177.279 176.600 0.127 0.000 1.008 343 E CA 2.080 58.507 56.400 0.045 0.000 0.810 343 E CB 0.006 29.648 29.700 -0.097 0.000 0.739 343 E HN 0.535 nan 8.360 nan 0.000 0.456 344 S N -1.646 114.252 115.700 0.330 0.000 2.615 344 S HA 0.216 4.677 4.470 -0.015 0.000 0.269 344 S C 0.259 175.146 174.600 0.478 0.000 1.161 344 S CA -0.996 57.406 58.200 0.338 0.000 0.817 344 S CB 1.592 64.920 63.200 0.212 0.000 1.131 344 S HN -0.121 nan 8.310 nan 0.000 0.467 345 E N 0.911 121.317 120.200 0.344 0.000 2.106 345 E HA -0.026 4.316 4.350 -0.015 0.000 0.192 345 E C 2.197 178.894 176.600 0.161 0.000 0.984 345 E CA 1.531 58.071 56.400 0.234 0.000 0.806 345 E CB -0.765 29.032 29.700 0.163 0.000 0.750 345 E HN 0.748 nan 8.360 nan 0.000 0.458 346 A N 0.670 123.592 122.820 0.170 0.000 1.902 346 A HA -0.209 4.102 4.320 -0.015 0.000 0.217 346 A C 2.136 179.814 177.584 0.157 0.000 1.181 346 A CA 1.400 53.516 52.037 0.132 0.000 0.623 346 A CB -0.769 18.307 19.000 0.127 0.000 0.818 346 A HN 0.322 nan 8.150 nan 0.000 0.443 347 Y N -0.221 120.151 120.300 0.120 0.000 2.200 347 Y HA -0.101 4.440 4.550 -0.015 0.000 0.290 347 Y C 2.002 177.988 175.900 0.143 0.000 1.137 347 Y CA 1.613 59.788 58.100 0.124 0.000 1.163 347 Y CB -0.281 38.274 38.460 0.158 0.000 0.988 347 Y HN 0.246 nan 8.280 nan 0.000 0.518 348 L N 0.921 122.270 121.223 0.210 0.000 2.017 348 L HA -0.169 4.162 4.340 -0.015 0.000 0.208 348 L C 2.618 179.460 176.870 -0.048 0.000 1.073 348 L CA 2.014 56.909 54.840 0.092 0.000 0.745 348 L CB -0.925 41.056 42.059 -0.130 0.000 0.894 348 L HN 0.224 nan 8.230 nan 0.000 0.432 349 R N -0.968 119.503 120.500 -0.049 0.000 2.103 349 R HA -0.193 4.138 4.340 -0.015 0.000 0.242 349 R C 2.513 178.769 176.300 -0.073 0.000 1.142 349 R CA 1.364 57.424 56.100 -0.066 0.000 0.960 349 R CB -0.256 30.026 30.300 -0.031 0.000 0.858 349 R HN 0.269 nan 8.270 nan 0.000 0.439 350 R N 0.217 120.662 120.500 -0.092 0.000 2.073 350 R HA -0.073 4.258 4.340 -0.015 0.000 0.234 350 R C 2.084 178.304 176.300 -0.132 0.000 1.134 350 R CA 1.637 57.669 56.100 -0.113 0.000 0.952 350 R CB -0.631 29.583 30.300 -0.144 0.000 0.850 350 R HN 0.357 nan 8.270 nan 0.000 0.433 351 A N 0.128 122.822 122.820 -0.210 0.000 1.908 351 A HA -0.120 4.191 4.320 -0.015 0.000 0.218 351 A C 2.432 180.107 177.584 0.151 0.000 1.181 351 A CA 1.689 53.668 52.037 -0.096 0.000 0.627 351 A CB -0.584 18.355 19.000 -0.101 0.000 0.818 351 A HN 0.170 nan 8.150 nan 0.000 0.445 352 V N -0.156 119.788 119.914 0.052 0.000 2.358 352 V HA -0.251 3.860 4.120 -0.015 0.000 0.246 352 V C 2.487 178.604 176.094 0.039 0.000 1.047 352 V CA 2.224 64.489 62.300 -0.059 0.000 1.035 352 V CB -0.682 30.989 31.823 -0.253 0.000 0.658 352 V HN 0.739 nan 8.190 nan 0.000 0.452 353 E N -0.141 120.055 120.200 -0.007 0.000 2.058 353 E HA -0.211 4.131 4.350 -0.015 0.000 0.194 353 E C 2.237 178.848 176.600 0.018 0.000 0.997 353 E CA 1.192 57.586 56.400 -0.011 0.000 0.801 353 E CB -0.018 29.666 29.700 -0.027 0.000 0.746 353 E HN 0.352 nan 8.360 nan 0.000 0.450 354 L N 0.265 121.509 121.223 0.034 0.000 2.093 354 L HA -0.128 4.203 4.340 -0.015 0.000 0.208 354 L C 2.308 179.237 176.870 0.099 0.000 1.085 354 L CA 1.253 56.121 54.840 0.046 0.000 0.755 354 L CB -0.687 41.387 42.059 0.024 0.000 0.904 354 L HN 0.371 nan 8.230 nan 0.000 0.435 355 M N -1.545 118.178 119.600 0.205 0.000 2.476 355 M HA -0.022 4.450 4.480 -0.015 0.000 0.262 355 M C 2.074 178.565 176.300 0.320 0.000 1.111 355 M CA 0.517 56.026 55.300 0.347 0.000 1.127 355 M CB -0.838 32.119 32.600 0.595 0.000 1.376 355 M HN 0.173 nan 8.290 nan 0.000 0.465 356 R N 1.066 121.649 120.500 0.137 0.000 2.140 356 R HA -0.187 4.144 4.340 -0.015 0.000 0.250 356 R C -1.026 175.042 176.300 -0.387 0.000 1.150 356 R CA 1.862 57.806 56.100 -0.261 0.000 0.966 356 R CB -1.077 29.121 30.300 -0.170 0.000 0.869 356 R HN 0.218 nan 8.270 nan 0.000 0.445 357 P HA -0.001 nan 4.420 nan 0.000 0.245 357 P C -0.101 177.134 177.300 -0.109 0.000 1.212 357 P CA 0.949 63.963 63.100 -0.144 0.000 0.774 357 P CB 0.225 31.885 31.700 -0.067 0.000 0.999 358 R N -1.016 119.448 120.500 -0.059 0.000 2.397 358 R HA 0.274 4.605 4.340 -0.015 0.000 0.241 358 R C 0.071 176.447 176.300 0.127 0.000 0.914 358 R CA 0.002 56.133 56.100 0.052 0.000 1.071 358 R CB 0.090 30.469 30.300 0.131 0.000 1.116 358 R HN 0.256 nan 8.270 nan 0.000 0.524 359 F N -2.015 117.928 119.950 -0.012 0.000 2.565 359 F HA 0.524 5.042 4.527 -0.014 0.000 0.313 359 F C -0.027 175.720 175.800 -0.089 0.000 1.091 359 F CA -1.257 56.719 58.000 -0.040 0.000 0.915 359 F CB 1.478 40.472 39.000 -0.009 0.000 1.208 359 F HN -0.303 nan 8.300 nan 0.000 0.453 360 D N 0.752 121.167 120.400 0.024 0.000 2.392 360 D HA 0.058 4.689 4.640 -0.015 0.000 0.206 360 D C 0.436 176.652 176.300 -0.140 0.000 1.046 360 D CA 1.003 54.943 54.000 -0.099 0.000 0.865 360 D CB 0.884 41.639 40.800 -0.075 0.000 0.969 360 D HN 0.703 nan 8.370 nan 0.000 0.509 361 T N -2.565 111.928 114.554 -0.102 0.000 2.907 361 T HA 0.432 4.773 4.350 -0.015 0.000 0.292 361 T C 1.327 175.881 174.700 -0.244 0.000 1.043 361 T CA -0.717 61.183 62.100 -0.334 0.000 1.003 361 T CB 1.657 70.156 68.868 -0.615 0.000 1.084 361 T HN -0.207 nan 8.240 nan 0.000 0.483 362 L N 0.781 121.720 121.223 -0.473 0.000 2.131 362 L HA 0.011 4.342 4.340 -0.015 0.000 0.210 362 L C 2.846 179.169 176.870 -0.912 0.000 1.092 362 L CA 1.265 55.684 54.840 -0.702 0.000 0.759 362 L CB -0.443 41.040 42.059 -0.959 0.000 0.903 362 L HN 0.782 nan 8.230 nan 0.000 0.435 363 K N 0.518 120.354 120.400 -0.941 0.000 2.211 363 K HA -0.156 4.155 4.320 -0.015 0.000 0.203 363 K C 1.768 178.200 176.600 -0.282 0.000 1.050 363 K CA 1.013 56.980 56.287 -0.534 0.000 0.945 363 K CB 0.147 32.453 32.500 -0.323 0.000 0.732 363 K HN 0.383 nan 8.250 nan 0.000 0.451 364 E N -0.353 119.684 120.200 -0.272 0.000 2.274 364 E HA -0.158 4.183 4.350 -0.015 0.000 0.194 364 E C 1.551 178.021 176.600 -0.217 0.000 0.996 364 E CA 0.506 56.810 56.400 -0.160 0.000 0.840 364 E CB -0.092 29.580 29.700 -0.046 0.000 0.772 364 E HN 0.256 nan 8.360 nan 0.000 0.491 365 F N 2.270 121.860 119.950 -0.601 0.000 2.046 365 F HA -0.107 4.413 4.527 -0.013 0.000 0.297 365 F C -1.014 174.579 175.800 -0.345 0.000 1.123 365 F CA 1.223 58.779 58.000 -0.741 0.000 1.199 365 F CB -1.133 37.202 39.000 -1.108 0.000 0.972 365 F HN -0.037 nan 8.300 nan 0.000 0.474 366 P HA -0.149 nan 4.420 nan 0.000 0.218 366 P C 1.255 178.405 177.300 -0.250 0.000 1.149 366 P CA 2.037 64.921 63.100 -0.360 0.000 0.817 366 P CB -0.099 31.523 31.700 -0.130 0.000 0.785 367 E N -0.151 119.941 120.200 -0.180 0.000 2.072 367 E HA -0.151 4.191 4.350 -0.015 0.000 0.191 367 E C 1.738 178.285 176.600 -0.089 0.000 0.985 367 E CA 1.093 57.436 56.400 -0.096 0.000 0.801 367 E CB -0.252 29.409 29.700 -0.065 0.000 0.750 367 E HN 0.310 nan 8.360 nan 0.000 0.452 368 K N -0.362 119.955 120.400 -0.139 0.000 2.361 368 K HA 0.130 4.441 4.320 -0.015 0.000 0.196 368 K C 1.080 177.585 176.600 -0.158 0.000 1.039 368 K CA 0.617 56.859 56.287 -0.075 0.000 1.001 368 K CB 0.670 33.158 32.500 -0.020 0.000 0.795 368 K HN -0.034 nan 8.250 nan 0.000 0.495 369 A N 0.897 123.461 122.820 -0.427 0.000 2.606 369 A HA 0.165 4.477 4.320 -0.015 0.000 0.290 369 A C 1.344 178.524 177.584 -0.674 0.000 1.174 369 A CA -0.375 51.212 52.037 -0.750 0.000 0.958 369 A CB -0.047 18.469 19.000 -0.806 0.000 1.194 369 A HN 0.089 nan 8.150 nan 0.000 0.526 370 R N -0.088 120.213 120.500 -0.331 0.000 2.103 370 R HA -0.240 4.091 4.340 -0.015 0.000 0.242 370 R C 1.734 177.984 176.300 -0.083 0.000 1.142 370 R CA 2.534 58.593 56.100 -0.069 0.000 0.960 370 R CB -0.510 29.825 30.300 0.059 0.000 0.858 370 R HN 0.793 nan 8.270 nan 0.000 0.439 371 Y N -1.102 119.124 120.300 -0.123 0.000 2.569 371 Y HA -0.054 4.488 4.550 -0.014 0.000 0.293 371 Y C 1.482 177.220 175.900 -0.269 0.000 1.144 371 Y CA 0.451 58.330 58.100 -0.369 0.000 1.321 371 Y CB -0.449 37.492 38.460 -0.866 0.000 0.982 371 Y HN 0.034 nan 8.280 nan 0.000 0.558 372 L N -1.465 119.371 121.223 -0.646 0.000 2.509 372 L HA 0.075 4.406 4.340 -0.015 0.000 0.222 372 L C 0.760 177.279 176.870 -0.585 0.000 1.123 372 L CA 0.476 54.945 54.840 -0.618 0.000 0.856 372 L CB -0.149 41.316 42.059 -0.989 0.000 0.985 372 L HN 0.231 nan 8.230 nan 0.000 0.456 373 F N -1.946 118.019 119.950 0.025 0.000 2.728 373 F HA 0.230 4.749 4.527 -0.015 0.000 0.314 373 F C 0.854 176.706 175.800 0.086 0.000 1.094 373 F CA -0.080 57.985 58.000 0.108 0.000 1.217 373 F CB 0.720 39.786 39.000 0.110 0.000 1.056 373 F HN -0.189 nan 8.300 nan 0.000 0.577 374 T N -1.448 113.238 114.554 0.221 0.000 2.769 374 T HA 0.236 4.577 4.350 -0.015 0.000 0.306 374 T C 0.147 175.022 174.700 0.292 0.000 1.400 374 T CA -0.398 61.827 62.100 0.208 0.000 1.007 374 T CB 1.485 70.469 68.868 0.193 0.000 1.392 374 T HN -0.133 nan 8.240 nan 0.000 0.500 375 E N 0.661 121.003 120.200 0.237 0.000 2.400 375 E HA 0.077 4.418 4.350 -0.015 0.000 0.195 375 E C 0.262 176.906 176.600 0.074 0.000 1.012 375 E CA 0.202 56.761 56.400 0.264 0.000 0.875 375 E CB 0.209 29.980 29.700 0.117 0.000 0.859 375 E HN 0.585 nan 8.360 nan 0.000 0.498 376 D N 1.090 121.544 120.400 0.089 0.000 2.713 376 D HA 0.015 4.646 4.640 -0.015 0.000 0.229 376 D C -0.818 175.521 176.300 0.064 0.000 1.136 376 D CA -0.233 53.761 54.000 -0.011 0.000 1.010 376 D CB -0.507 40.303 40.800 0.017 0.000 1.084 376 D HN 0.002 nan 8.370 nan 0.000 0.495 377 Y N -0.051 120.287 120.300 0.062 0.000 2.487 377 Y HA 0.703 5.245 4.550 -0.012 0.000 0.337 377 Y C -2.412 173.521 175.900 0.054 0.000 1.076 377 Y CA -2.716 55.431 58.100 0.078 0.000 1.115 377 Y CB -0.020 38.524 38.460 0.140 0.000 1.235 377 Y HN -0.041 nan 8.280 nan 0.000 0.468 378 P HA 0.256 nan 4.420 nan 0.000 0.278 378 P C -1.126 176.263 177.300 0.148 0.000 1.238 378 P CA -0.379 62.780 63.100 0.098 0.000 0.794 378 P CB 2.106 33.860 31.700 0.090 0.000 0.955 379 V N 2.335 122.287 119.914 0.063 0.000 2.350 379 V HA 0.166 4.277 4.120 -0.015 0.000 0.285 379 V C 0.979 177.096 176.094 0.039 0.000 1.014 379 V CA -0.543 61.797 62.300 0.067 0.000 0.831 379 V CB 0.945 32.783 31.823 0.026 0.000 1.000 379 V HN 0.818 nan 8.190 nan 0.000 0.433 380 S N 3.222 118.946 115.700 0.040 0.000 2.576 380 S HA 0.101 4.562 4.470 -0.015 0.000 0.272 380 S C 0.980 175.589 174.600 0.015 0.000 1.352 380 S CA -0.173 58.042 58.200 0.026 0.000 1.021 380 S CB 0.913 64.126 63.200 0.021 0.000 0.887 380 S HN 0.733 nan 8.310 nan 0.000 0.542 381 E N 1.250 121.458 120.200 0.012 0.000 2.106 381 E HA -0.069 4.272 4.350 -0.015 0.000 0.192 381 E C 1.818 178.422 176.600 0.006 0.000 0.984 381 E CA 1.258 57.663 56.400 0.008 0.000 0.806 381 E CB -0.241 29.464 29.700 0.009 0.000 0.750 381 E HN 0.799 nan 8.360 nan 0.000 0.458 382 K N 0.570 120.974 120.400 0.006 0.000 2.103 382 K HA 0.017 4.328 4.320 -0.015 0.000 0.204 382 K C 2.054 178.653 176.600 -0.001 0.000 1.052 382 K CA 1.062 57.351 56.287 0.003 0.000 0.945 382 K CB -0.108 32.395 32.500 0.004 0.000 0.722 382 K HN 0.166 nan 8.250 nan 0.000 0.443 383 A N 0.796 123.615 122.820 -0.002 0.000 1.929 383 A HA -0.178 4.134 4.320 -0.015 0.000 0.216 383 A C 2.048 179.630 177.584 -0.004 0.000 1.176 383 A CA 1.413 53.445 52.037 -0.008 0.000 0.628 383 A CB -0.517 18.476 19.000 -0.011 0.000 0.816 383 A HN 0.396 nan 8.150 nan 0.000 0.444 384 Q N 0.288 120.089 119.800 0.001 0.000 2.050 384 Q HA -0.115 4.216 4.340 -0.015 0.000 0.202 384 Q C 2.142 178.142 176.000 -0.001 0.000 0.980 384 Q CA 1.971 57.774 55.803 -0.000 0.000 0.840 384 Q CB -0.356 28.381 28.738 -0.000 0.000 0.898 384 Q HN 0.648 nan 8.270 nan 0.000 0.424 385 R N -0.315 120.185 120.500 -0.000 0.000 2.096 385 R HA -0.131 4.200 4.340 -0.015 0.000 0.235 385 R C 2.165 178.465 176.300 0.001 0.000 1.127 385 R CA 1.492 57.593 56.100 0.001 0.000 0.968 385 R CB -0.170 30.131 30.300 0.002 0.000 0.861 385 R HN 0.054 nan 8.270 nan 0.000 0.440 386 K N 1.064 121.463 120.400 -0.001 0.000 2.097 386 K HA -0.103 4.209 4.320 -0.015 0.000 0.205 386 K C 1.829 178.428 176.600 -0.002 0.000 1.050 386 K CA 0.861 57.147 56.287 -0.002 0.000 0.938 386 K CB -0.337 32.158 32.500 -0.008 0.000 0.718 386 K HN 0.032 nan 8.250 nan 0.000 0.442 387 L N 0.981 122.202 121.223 -0.004 0.000 2.046 387 L HA -0.084 4.247 4.340 -0.015 0.000 0.208 387 L C 1.999 178.870 176.870 0.002 0.000 1.077 387 L CA 1.901 56.739 54.840 -0.003 0.000 0.747 387 L CB -0.683 41.373 42.059 -0.004 0.000 0.896 387 L HN 0.224 nan 8.230 nan 0.000 0.432 388 E N -0.007 120.194 120.200 0.002 0.000 2.077 388 E HA -0.277 4.065 4.350 -0.015 0.000 0.193 388 E C 2.184 178.789 176.600 0.008 0.000 0.989 388 E CA 1.622 58.024 56.400 0.003 0.000 0.800 388 E CB -0.236 29.465 29.700 0.002 0.000 0.746 388 E HN 0.656 nan 8.360 nan 0.000 0.452 389 E N -1.137 119.069 120.200 0.009 0.000 2.110 389 E HA -0.126 4.215 4.350 -0.015 0.000 0.193 389 E C 1.464 178.076 176.600 0.020 0.000 0.988 389 E CA 1.239 57.647 56.400 0.013 0.000 0.804 389 E CB -0.301 29.406 29.700 0.011 0.000 0.745 389 E HN 0.313 nan 8.360 nan 0.000 0.458 390 G N 0.469 109.282 108.800 0.021 0.000 3.189 390 G HA2 0.039 3.990 3.960 -0.015 0.000 0.225 390 G HA3 0.039 3.990 3.960 -0.015 0.000 0.225 390 G C 1.284 176.206 174.900 0.037 0.000 1.159 390 G CA -0.405 44.715 45.100 0.033 0.000 0.763 390 G HN 0.176 nan 8.290 nan 0.000 0.549 391 L N 1.277 122.515 121.223 0.026 0.000 2.013 391 L HA -0.080 4.252 4.340 -0.015 0.000 0.212 391 L C 0.464 177.357 176.870 0.038 0.000 1.073 391 L CA 1.750 56.604 54.840 0.023 0.000 0.753 391 L CB -0.510 41.556 42.059 0.012 0.000 0.890 391 L HN 0.169 nan 8.230 nan 0.000 0.432 392 P HA -0.203 nan 4.420 nan 0.000 0.218 392 P C 1.900 179.262 177.300 0.102 0.000 1.148 392 P CA 1.528 64.665 63.100 0.062 0.000 0.822 392 P CB 0.054 31.785 31.700 0.052 0.000 0.784 393 L N -1.048 120.245 121.223 0.116 0.000 2.056 393 L HA -0.097 4.234 4.340 -0.015 0.000 0.207 393 L C 2.865 179.827 176.870 0.154 0.000 1.078 393 L CA 1.084 56.044 54.840 0.199 0.000 0.749 393 L CB -0.760 41.417 42.059 0.196 0.000 0.901 393 L HN -0.115 nan 8.230 nan 0.000 0.433 394 L N -0.630 120.635 121.223 0.071 0.000 2.093 394 L HA -0.204 4.127 4.340 -0.015 0.000 0.208 394 L C 2.728 179.629 176.870 0.052 0.000 1.085 394 L CA 0.895 55.749 54.840 0.022 0.000 0.755 394 L CB -0.612 41.459 42.059 0.019 0.000 0.904 394 L HN 0.221 nan 8.230 nan 0.000 0.435 395 K N 0.757 121.198 120.400 0.069 0.000 2.032 395 K HA -0.249 4.063 4.320 -0.015 0.000 0.209 395 K C 1.929 178.611 176.600 0.135 0.000 1.048 395 K CA 1.698 58.033 56.287 0.080 0.000 0.927 395 K CB -0.086 32.449 32.500 0.057 0.000 0.712 395 K HN 0.344 nan 8.250 nan 0.000 0.441 396 E N 0.035 120.332 120.200 0.161 0.000 2.152 396 E HA -0.152 4.190 4.350 -0.015 0.000 0.192 396 E C 1.991 178.695 176.600 0.174 0.000 0.983 396 E CA 0.487 57.024 56.400 0.228 0.000 0.818 396 E CB 0.025 29.934 29.700 0.348 0.000 0.758 396 E HN 0.126 nan 8.360 nan 0.000 0.467 397 L N 0.209 121.389 121.223 -0.072 0.000 2.109 397 L HA -0.119 4.213 4.340 -0.015 0.000 0.207 397 L C 2.074 178.860 176.870 -0.141 0.000 1.086 397 L CA 1.447 56.009 54.840 -0.462 0.000 0.760 397 L CB -0.715 40.906 42.059 -0.731 0.000 0.910 397 L HN 0.194 nan 8.230 nan 0.000 0.437 398 Y N 1.520 121.764 120.300 -0.093 0.000 2.062 398 Y HA -0.261 4.288 4.550 -0.001 0.000 0.276 398 Y C -0.627 175.276 175.900 0.004 0.000 1.189 398 Y CA 2.570 60.654 58.100 -0.026 0.000 1.130 398 Y CB -1.885 36.573 38.460 -0.003 0.000 0.959 398 Y HN 0.253 nan 8.280 nan 0.000 0.499 399 P HA -0.173 nan 4.420 nan 0.000 0.216 399 P C 1.383 178.601 177.300 -0.137 0.000 1.150 399 P CA 1.965 64.976 63.100 -0.148 0.000 0.837 399 P CB -0.017 31.701 31.700 0.031 0.000 0.786 400 R N -0.480 119.974 120.500 -0.077 0.000 2.073 400 R HA -0.024 4.308 4.340 -0.015 0.000 0.234 400 R C 2.370 178.641 176.300 -0.049 0.000 1.134 400 R CA 1.164 57.240 56.100 -0.040 0.000 0.952 400 R CB -1.810 28.475 30.300 -0.025 0.000 0.850 400 R HN 0.311 nan 8.270 nan 0.000 0.433 401 L N 0.266 121.442 121.223 -0.077 0.000 2.083 401 L HA -0.074 4.257 4.340 -0.015 0.000 0.209 401 L C 2.841 179.741 176.870 0.051 0.000 1.083 401 L CA 1.192 56.064 54.840 0.054 0.000 0.752 401 L CB -0.364 41.753 42.059 0.097 0.000 0.899 401 L HN 0.155 nan 8.230 nan 0.000 0.433 402 R N 0.346 120.720 120.500 -0.210 0.000 2.115 402 R HA -0.106 4.225 4.340 -0.015 0.000 0.230 402 R C 1.904 178.146 176.300 -0.097 0.000 1.111 402 R CA 1.267 57.224 56.100 -0.238 0.000 0.976 402 R CB -0.089 29.933 30.300 -0.463 0.000 0.870 402 R HN 0.313 nan 8.270 nan 0.000 0.445 403 A N 0.194 122.975 122.820 -0.064 0.000 2.307 403 A HA 0.036 4.348 4.320 -0.015 0.000 0.218 403 A C 0.377 177.979 177.584 0.030 0.000 1.228 403 A CA -0.241 51.786 52.037 -0.016 0.000 0.857 403 A CB 0.119 19.110 19.000 -0.015 0.000 0.897 403 A HN 0.256 nan 8.150 nan 0.000 0.495 404 Q N 0.808 120.656 119.800 0.080 0.000 2.323 404 Q HA 0.150 4.482 4.340 -0.015 0.000 0.257 404 Q C 0.892 176.998 176.000 0.178 0.000 1.022 404 Q CA 0.061 55.948 55.803 0.140 0.000 0.919 404 Q CB 0.670 29.539 28.738 0.217 0.000 1.220 404 Q HN 0.467 nan 8.270 nan 0.000 0.427 405 E N 3.830 124.099 120.200 0.115 0.000 2.060 405 E HA -0.098 4.243 4.350 -0.015 0.000 0.189 405 E C -0.521 176.166 176.600 0.144 0.000 0.974 405 E CA 0.450 56.912 56.400 0.103 0.000 0.808 405 E CB 0.296 30.031 29.700 0.058 0.000 0.768 405 E HN 0.789 nan 8.360 nan 0.000 0.453 406 E N 0.889 121.158 120.200 0.116 0.000 2.029 406 E HA -0.057 4.284 4.350 -0.015 0.000 0.276 406 E C -0.913 175.774 176.600 0.146 0.000 1.163 406 E CA -0.287 56.175 56.400 0.103 0.000 0.909 406 E CB -0.026 29.695 29.700 0.035 0.000 1.046 406 E HN 0.228 nan 8.360 nan 0.000 0.406 407 W N 7.243 128.544 121.300 0.001 0.000 2.175 407 W HA 0.144 4.794 4.660 -0.016 0.000 0.350 407 W C -0.934 175.596 176.519 0.018 0.000 0.877 407 W CA -0.274 57.077 57.345 0.010 0.000 1.544 407 W CB 0.518 29.985 29.460 0.011 0.000 1.585 407 W HN 0.488 nan 8.180 nan 0.000 0.347 408 T N -1.174 113.314 114.554 -0.108 0.000 2.883 408 T HA 0.280 4.621 4.350 -0.015 0.000 0.296 408 T C 0.817 175.424 174.700 -0.154 0.000 1.117 408 T CA -0.591 61.467 62.100 -0.070 0.000 1.006 408 T CB 2.372 71.228 68.868 -0.020 0.000 1.191 408 T HN 0.290 nan 8.240 nan 0.000 0.508 409 E N 0.579 120.731 120.200 -0.081 0.000 2.049 409 E HA -0.200 4.141 4.350 -0.015 0.000 0.198 409 E C 2.374 178.865 176.600 -0.181 0.000 1.007 409 E CA 1.600 57.960 56.400 -0.067 0.000 0.809 409 E CB -0.403 29.296 29.700 -0.001 0.000 0.749 409 E HN 0.759 nan 8.360 nan 0.000 0.450 410 A N 1.303 124.031 122.820 -0.154 0.000 1.902 410 A HA -0.093 4.218 4.320 -0.015 0.000 0.217 410 A C 2.382 179.837 177.584 -0.215 0.000 1.181 410 A CA 1.727 53.653 52.037 -0.186 0.000 0.623 410 A CB -0.662 18.270 19.000 -0.113 0.000 0.818 410 A HN 0.302 nan 8.150 nan 0.000 0.443 411 A N -0.202 122.514 122.820 -0.174 0.000 1.877 411 A HA -0.023 4.289 4.320 -0.015 0.000 0.216 411 A C 2.173 179.622 177.584 -0.225 0.000 1.186 411 A CA 1.474 53.413 52.037 -0.162 0.000 0.620 411 A CB -0.646 18.286 19.000 -0.112 0.000 0.822 411 A HN 0.464 nan 8.150 nan 0.000 0.443 412 L N -0.784 120.259 121.223 -0.300 0.000 2.046 412 L HA -0.215 4.116 4.340 -0.015 0.000 0.208 412 L C 2.671 179.335 176.870 -0.343 0.000 1.077 412 L CA 1.862 56.513 54.840 -0.314 0.000 0.747 412 L CB -0.535 41.329 42.059 -0.326 0.000 0.896 412 L HN 0.610 nan 8.230 nan 0.000 0.432 413 E N 0.495 120.281 120.200 -0.691 0.000 2.051 413 E HA -0.259 4.082 4.350 -0.015 0.000 0.192 413 E C 2.237 178.548 176.600 -0.483 0.000 0.991 413 E CA 1.292 57.002 56.400 -1.151 0.000 0.799 413 E CB -0.024 28.986 29.700 -1.149 0.000 0.748 413 E HN 0.446 nan 8.360 nan 0.000 0.449 414 A N 1.459 124.090 122.820 -0.314 0.000 1.933 414 A HA -0.168 4.143 4.320 -0.015 0.000 0.218 414 A C 2.232 179.756 177.584 -0.101 0.000 1.175 414 A CA 1.165 53.100 52.037 -0.170 0.000 0.628 414 A CB -0.717 18.205 19.000 -0.130 0.000 0.814 414 A HN 0.444 nan 8.150 nan 0.000 0.444 415 L N -1.106 120.053 121.223 -0.105 0.000 1.994 415 L HA -0.177 4.154 4.340 -0.015 0.000 0.208 415 L C 2.390 179.280 176.870 0.033 0.000 1.071 415 L CA 1.543 56.361 54.840 -0.036 0.000 0.745 415 L CB -0.261 41.755 42.059 -0.071 0.000 0.892 415 L HN 0.355 nan 8.230 nan 0.000 0.431 416 L N -0.177 121.060 121.223 0.025 0.000 2.141 416 L HA -0.190 4.141 4.340 -0.015 0.000 0.209 416 L C 2.674 179.631 176.870 0.145 0.000 1.094 416 L CA 1.494 56.407 54.840 0.123 0.000 0.763 416 L CB -0.707 41.472 42.059 0.201 0.000 0.908 416 L HN 0.245 nan 8.230 nan 0.000 0.437 417 R N -0.433 120.096 120.500 0.048 0.000 2.070 417 R HA -0.138 4.193 4.340 -0.015 0.000 0.233 417 R C 2.256 178.589 176.300 0.055 0.000 1.137 417 R CA 1.581 57.702 56.100 0.035 0.000 0.945 417 R CB -0.748 29.533 30.300 -0.032 0.000 0.845 417 R HN 0.373 nan 8.270 nan 0.000 0.430 418 G N 0.032 108.863 108.800 0.052 0.000 2.418 418 G HA2 -0.310 3.642 3.960 -0.015 0.000 0.217 418 G HA3 -0.310 3.642 3.960 -0.015 0.000 0.217 418 G C 1.310 176.262 174.900 0.086 0.000 1.158 418 G CA 0.646 45.777 45.100 0.052 0.000 0.771 418 G HN 0.417 nan 8.290 nan 0.000 0.545 419 F N 2.269 122.218 119.950 -0.001 0.000 2.102 419 F HA 0.039 4.557 4.527 -0.016 0.000 0.298 419 F C 2.832 178.640 175.800 0.013 0.000 1.105 419 F CA 1.531 59.537 58.000 0.010 0.000 1.239 419 F CB -0.148 38.863 39.000 0.019 0.000 0.991 419 F HN 0.228 nan 8.300 nan 0.000 0.474 420 A N 0.388 123.300 122.820 0.154 0.000 1.902 420 A HA -0.119 4.192 4.320 -0.015 0.000 0.217 420 A C 2.384 179.940 177.584 -0.046 0.000 1.181 420 A CA 1.872 53.942 52.037 0.055 0.000 0.623 420 A CB -1.588 17.477 19.000 0.108 0.000 0.818 420 A HN 0.512 nan 8.150 nan 0.000 0.443 421 A N -0.443 122.360 122.820 -0.028 0.000 1.902 421 A HA -0.193 4.118 4.320 -0.015 0.000 0.217 421 A C 2.041 179.574 177.584 -0.086 0.000 1.181 421 A CA 1.816 53.828 52.037 -0.042 0.000 0.623 421 A CB -0.570 18.416 19.000 -0.023 0.000 0.818 421 A HN 0.683 nan 8.150 nan 0.000 0.443 422 E N -0.384 119.738 120.200 -0.131 0.000 2.110 422 E HA -0.201 4.141 4.350 -0.015 0.000 0.193 422 E C 1.157 177.619 176.600 -0.230 0.000 0.988 422 E CA 1.179 57.474 56.400 -0.176 0.000 0.804 422 E CB 0.023 29.593 29.700 -0.217 0.000 0.745 422 E HN 0.316 nan 8.360 nan 0.000 0.458 423 K N -0.691 119.519 120.400 -0.316 0.000 2.404 423 K HA 0.082 4.394 4.320 -0.015 0.000 0.194 423 K C 0.894 177.412 176.600 -0.136 0.000 1.023 423 K CA 0.722 56.846 56.287 -0.271 0.000 1.094 423 K CB 0.759 33.028 32.500 -0.385 0.000 0.841 423 K HN 0.301 nan 8.250 nan 0.000 0.523 424 G N 1.843 110.582 108.800 -0.102 0.000 2.198 424 G HA2 -0.252 3.699 3.960 -0.015 0.000 0.260 424 G HA3 -0.252 3.699 3.960 -0.015 0.000 0.260 424 G C 0.206 175.085 174.900 -0.035 0.000 1.025 424 G CA 0.589 45.655 45.100 -0.056 0.000 0.769 424 G HN 0.238 nan 8.290 nan 0.000 0.507 425 V N -4.504 115.392 119.914 -0.030 0.000 3.074 425 V HA 0.846 4.957 4.120 -0.015 0.000 0.314 425 V C 0.382 176.487 176.094 0.018 0.000 1.117 425 V CA -1.900 60.401 62.300 0.001 0.000 1.014 425 V CB 1.707 33.541 31.823 0.017 0.000 1.057 425 V HN 0.231 nan 8.190 nan 0.000 0.438 426 K N 0.769 121.185 120.400 0.027 0.000 2.202 426 K HA 0.322 4.633 4.320 -0.015 0.000 0.264 426 K C 0.756 177.391 176.600 0.057 0.000 1.010 426 K CA -0.414 55.894 56.287 0.035 0.000 0.940 426 K CB 1.329 33.846 32.500 0.028 0.000 0.983 426 K HN 0.711 nan 8.250 nan 0.000 0.475 427 L N 3.111 124.375 121.223 0.067 0.000 2.051 427 L HA -0.178 4.153 4.340 -0.015 0.000 0.214 427 L C 1.927 178.849 176.870 0.088 0.000 1.076 427 L CA 2.384 57.283 54.840 0.098 0.000 0.758 427 L CB -0.933 41.191 42.059 0.108 0.000 0.890 427 L HN 0.948 nan 8.230 nan 0.000 0.433 428 G N -1.589 107.248 108.800 0.061 0.000 2.450 428 G HA2 -0.294 3.657 3.960 -0.015 0.000 0.220 428 G HA3 -0.294 3.657 3.960 -0.015 0.000 0.220 428 G C 1.437 176.357 174.900 0.033 0.000 1.130 428 G CA 0.831 45.955 45.100 0.039 0.000 0.760 428 G HN 0.605 nan 8.290 nan 0.000 0.557 429 Q N -0.445 119.382 119.800 0.045 0.000 2.224 429 Q HA -0.000 4.331 4.340 -0.015 0.000 0.203 429 Q C 2.638 178.674 176.000 0.060 0.000 0.970 429 Q CA 1.002 56.832 55.803 0.046 0.000 0.865 429 Q CB 0.024 28.792 28.738 0.049 0.000 0.922 429 Q HN 0.473 nan 8.270 nan 0.000 0.445 430 V N 0.031 119.994 119.914 0.082 0.000 2.575 430 V HA -0.041 4.070 4.120 -0.015 0.000 0.242 430 V C 2.162 178.272 176.094 0.027 0.000 1.045 430 V CA 1.255 63.610 62.300 0.091 0.000 1.065 430 V CB -0.670 31.253 31.823 0.165 0.000 0.717 430 V HN 0.298 nan 8.190 nan 0.000 0.467 431 A N -0.298 122.531 122.820 0.015 0.000 1.892 431 A HA -0.319 3.992 4.320 -0.015 0.000 0.218 431 A C 2.148 179.679 177.584 -0.088 0.000 1.188 431 A CA 2.362 54.360 52.037 -0.065 0.000 0.631 431 A CB -0.581 18.379 19.000 -0.067 0.000 0.822 431 A HN 0.488 nan 8.150 nan 0.000 0.447 432 Q N -0.282 119.488 119.800 -0.050 0.000 2.050 432 Q HA -0.057 4.275 4.340 -0.015 0.000 0.202 432 Q C -0.495 175.476 176.000 -0.049 0.000 0.980 432 Q CA 2.240 58.012 55.803 -0.052 0.000 0.840 432 Q CB -1.232 27.488 28.738 -0.029 0.000 0.898 432 Q HN 0.495 nan 8.270 nan 0.000 0.424 433 P HA -0.135 nan 4.420 nan 0.000 0.216 433 P C 1.155 178.433 177.300 -0.036 0.000 1.153 433 P CA 0.775 63.862 63.100 -0.020 0.000 0.848 433 P CB -0.038 31.663 31.700 0.002 0.000 0.787 434 L N -0.229 120.965 121.223 -0.049 0.000 2.083 434 L HA -0.103 4.228 4.340 -0.015 0.000 0.209 434 L C 2.463 179.278 176.870 -0.092 0.000 1.083 434 L CA 1.793 56.595 54.840 -0.062 0.000 0.752 434 L CB -0.894 41.116 42.059 -0.081 0.000 0.899 434 L HN -0.206 nan 8.230 nan 0.000 0.433 435 R N -0.722 119.704 120.500 -0.123 0.000 2.081 435 R HA -0.148 4.183 4.340 -0.015 0.000 0.235 435 R C 2.153 178.361 176.300 -0.154 0.000 1.131 435 R CA 1.345 57.348 56.100 -0.162 0.000 0.960 435 R CB -0.350 29.851 30.300 -0.165 0.000 0.856 435 R HN 0.487 nan 8.270 nan 0.000 0.436 436 A N 0.805 123.563 122.820 -0.102 0.000 1.908 436 A HA -0.136 4.175 4.320 -0.015 0.000 0.218 436 A C 2.354 179.912 177.584 -0.044 0.000 1.181 436 A CA 1.805 53.798 52.037 -0.074 0.000 0.627 436 A CB -0.770 18.206 19.000 -0.040 0.000 0.818 436 A HN 0.537 nan 8.150 nan 0.000 0.445 437 A N -0.485 122.317 122.820 -0.029 0.000 1.902 437 A HA -0.019 4.292 4.320 -0.015 0.000 0.217 437 A C 2.107 179.707 177.584 0.026 0.000 1.181 437 A CA 1.551 53.593 52.037 0.009 0.000 0.623 437 A CB -0.531 18.474 19.000 0.008 0.000 0.818 437 A HN 0.472 nan 8.150 nan 0.000 0.443 438 L N -0.751 120.448 121.223 -0.039 0.000 2.418 438 L HA -0.014 4.317 4.340 -0.015 0.000 0.218 438 L C 2.275 178.998 176.870 -0.245 0.000 1.125 438 L CA 1.502 56.304 54.840 -0.064 0.000 0.835 438 L CB -0.034 41.987 42.059 -0.063 0.000 0.953 438 L HN 0.676 nan 8.230 nan 0.000 0.454 439 T N -6.324 107.999 114.554 -0.386 0.000 3.009 439 T HA 0.241 4.583 4.350 -0.015 0.000 0.267 439 T C 1.387 175.753 174.700 -0.557 0.000 0.942 439 T CA 0.505 62.070 62.100 -0.890 0.000 0.883 439 T CB 0.957 69.020 68.868 -1.342 0.000 1.192 439 T HN 0.243 nan 8.240 nan 0.000 0.524 440 G N 0.957 109.698 108.800 -0.098 0.000 2.168 440 G HA2 -0.209 3.743 3.960 -0.015 0.000 0.263 440 G HA3 -0.209 3.743 3.960 -0.015 0.000 0.263 440 G C 0.095 174.986 174.900 -0.016 0.000 0.977 440 G CA 0.542 45.704 45.100 0.104 0.000 0.659 440 G HN 1.224 nan 8.290 nan 0.000 0.533 441 S N -1.541 114.066 115.700 -0.154 0.000 2.595 441 S HA 0.734 5.196 4.470 -0.015 0.000 0.281 441 S C 0.821 175.348 174.600 -0.121 0.000 1.117 441 S CA -0.621 57.509 58.200 -0.116 0.000 0.873 441 S CB 1.451 64.576 63.200 -0.125 0.000 1.108 441 S HN 0.418 nan 8.310 nan 0.000 0.477 442 L N 1.644 122.826 121.223 -0.068 0.000 2.640 442 L HA 0.427 4.758 4.340 -0.015 0.000 0.230 442 L C -0.042 176.798 176.870 -0.051 0.000 1.123 442 L CA 0.346 55.151 54.840 -0.060 0.000 0.900 442 L CB 0.129 42.167 42.059 -0.034 0.000 1.146 442 L HN 0.637 nan 8.230 nan 0.000 0.484 443 E N 0.839 121.013 120.200 -0.042 0.000 2.279 443 E HA 0.357 4.698 4.350 -0.015 0.000 0.252 443 E C -0.586 176.015 176.600 0.001 0.000 0.894 443 E CA -0.164 56.227 56.400 -0.016 0.000 0.785 443 E CB 1.881 31.586 29.700 0.008 0.000 1.237 443 E HN 0.063 nan 8.360 nan 0.000 0.418 444 T N -0.554 113.996 114.554 -0.006 0.000 2.731 444 T HA 0.582 4.923 4.350 -0.015 0.000 0.300 444 T C -2.764 171.954 174.700 0.029 0.000 1.283 444 T CA -1.607 60.519 62.100 0.042 0.000 1.005 444 T CB 1.525 70.392 68.868 -0.003 0.000 1.420 444 T HN 0.064 nan 8.240 nan 0.000 0.503 445 P HA 0.334 nan 4.420 nan 0.000 0.286 445 P C 0.598 177.897 177.300 -0.003 0.000 1.293 445 P CA -0.124 62.996 63.100 0.032 0.000 0.770 445 P CB -0.380 31.351 31.700 0.050 0.000 1.206 446 G N 0.316 109.117 108.800 0.001 0.000 2.164 446 G HA2 -0.123 3.828 3.960 -0.015 0.000 0.259 446 G HA3 -0.123 3.828 3.960 -0.015 0.000 0.259 446 G C 0.987 175.839 174.900 -0.079 0.000 0.894 446 G CA -0.159 44.934 45.100 -0.012 0.000 0.961 446 G HN 0.551 nan 8.290 nan 0.000 0.369 447 L N 3.694 124.787 121.223 -0.217 0.000 2.043 447 L HA -0.098 4.233 4.340 -0.015 0.000 0.212 447 L C 2.365 178.991 176.870 -0.408 0.000 1.075 447 L CA 1.972 56.579 54.840 -0.389 0.000 0.752 447 L CB -0.441 41.229 42.059 -0.648 0.000 0.891 447 L HN 0.549 nan 8.230 nan 0.000 0.432 448 F N -0.093 119.825 119.950 -0.053 0.000 2.325 448 F HA -0.054 4.465 4.527 -0.014 0.000 0.299 448 F C 2.393 178.156 175.800 -0.063 0.000 1.090 448 F CA 1.048 58.999 58.000 -0.083 0.000 1.392 448 F CB -0.625 38.320 39.000 -0.093 0.000 1.053 448 F HN 0.214 nan 8.300 nan 0.000 0.521 449 E N 0.286 120.543 120.200 0.096 0.000 2.112 449 E HA -0.102 4.239 4.350 -0.015 0.000 0.190 449 E C 2.273 178.906 176.600 0.056 0.000 0.979 449 E CA 1.007 57.448 56.400 0.068 0.000 0.814 449 E CB -0.162 29.568 29.700 0.050 0.000 0.762 449 E HN 0.416 nan 8.360 nan 0.000 0.460 450 I N 0.877 121.465 120.570 0.030 0.000 2.353 450 I HA -0.196 3.966 4.170 -0.015 0.000 0.248 450 I C 2.371 178.537 176.117 0.081 0.000 1.119 450 I CA 0.406 61.735 61.300 0.047 0.000 1.417 450 I CB -0.050 37.964 38.000 0.024 0.000 1.078 450 I HN 0.111 nan 8.210 nan 0.000 0.421 451 L N 1.080 122.333 121.223 0.050 0.000 2.275 451 L HA -0.041 4.290 4.340 -0.015 0.000 0.215 451 L C 2.168 179.198 176.870 0.268 0.000 1.119 451 L CA 1.740 56.648 54.840 0.112 0.000 0.790 451 L CB -0.524 41.529 42.059 -0.011 0.000 0.919 451 L HN 0.157 nan 8.230 nan 0.000 0.443 452 A N -1.769 121.164 122.820 0.188 0.000 2.197 452 A HA 0.119 4.430 4.320 -0.015 0.000 0.210 452 A C 1.922 179.692 177.584 0.310 0.000 1.180 452 A CA 0.535 52.749 52.037 0.294 0.000 0.846 452 A CB -0.470 18.586 19.000 0.092 0.000 0.884 452 A HN 0.369 nan 8.150 nan 0.000 0.487 453 L N 0.398 121.750 121.223 0.215 0.000 1.970 453 L HA -0.153 4.179 4.340 -0.015 0.000 0.212 453 L C 2.213 179.227 176.870 0.239 0.000 1.071 453 L CA 2.050 57.008 54.840 0.195 0.000 0.751 453 L CB -0.640 41.501 42.059 0.135 0.000 0.889 453 L HN 0.413 nan 8.230 nan 0.000 0.432 454 L N -0.793 120.562 121.223 0.220 0.000 2.056 454 L HA 0.159 4.490 4.340 -0.015 0.000 0.207 454 L C 1.138 178.053 176.870 0.075 0.000 1.078 454 L CA 0.650 55.575 54.840 0.142 0.000 0.749 454 L CB -1.121 41.000 42.059 0.103 0.000 0.901 454 L HN 0.564 nan 8.230 nan 0.000 0.433 455 G N -0.791 108.064 108.800 0.091 0.000 2.465 455 G HA2 -0.131 3.820 3.960 -0.015 0.000 0.681 455 G HA3 -0.131 3.820 3.960 -0.015 0.000 0.681 455 G C 0.017 174.593 174.900 -0.541 0.000 1.340 455 G CA -0.047 44.977 45.100 -0.127 0.000 0.884 455 G HN 0.023 nan 8.290 nan 0.000 0.650 456 K N 0.053 119.670 120.400 -1.305 0.000 2.001 456 K HA -0.219 4.092 4.320 -0.015 0.000 0.223 456 K C 2.240 178.353 176.600 -0.813 0.000 1.055 456 K CA 2.487 57.666 56.287 -1.847 0.000 0.965 456 K CB -0.197 31.462 32.500 -1.401 0.000 0.730 456 K HN 0.517 nan 8.250 nan 0.000 0.449 457 E N 0.539 120.453 120.200 -0.476 0.000 2.049 457 E HA -0.217 4.124 4.350 -0.015 0.000 0.198 457 E C 2.177 178.678 176.600 -0.165 0.000 1.007 457 E CA 1.492 57.741 56.400 -0.252 0.000 0.809 457 E CB -0.315 29.282 29.700 -0.173 0.000 0.749 457 E HN 0.412 nan 8.360 nan 0.000 0.450 458 R N 0.392 120.803 120.500 -0.147 0.000 2.120 458 R HA -0.012 4.320 4.340 -0.015 0.000 0.234 458 R C 2.286 178.572 176.300 -0.025 0.000 1.123 458 R CA 1.077 57.137 56.100 -0.067 0.000 0.975 458 R CB -0.275 29.994 30.300 -0.052 0.000 0.866 458 R HN 0.132 nan 8.270 nan 0.000 0.446 459 A N 1.333 124.125 122.820 -0.048 0.000 1.872 459 A HA -0.054 4.257 4.320 -0.015 0.000 0.214 459 A C 2.190 179.821 177.584 0.079 0.000 1.187 459 A CA 0.787 52.865 52.037 0.069 0.000 0.614 459 A CB -0.419 18.715 19.000 0.223 0.000 0.826 459 A HN 0.128 nan 8.150 nan 0.000 0.442 460 L N -1.200 120.026 121.223 0.004 0.000 2.042 460 L HA -0.213 4.118 4.340 -0.015 0.000 0.210 460 L C 2.825 179.764 176.870 0.116 0.000 1.076 460 L CA 1.522 56.421 54.840 0.098 0.000 0.749 460 L CB -0.468 41.604 42.059 0.022 0.000 0.893 460 L HN 0.250 nan 8.230 nan 0.000 0.432 461 R N 0.019 120.547 120.500 0.048 0.000 2.094 461 R HA -0.197 4.134 4.340 -0.015 0.000 0.239 461 R C 2.402 178.732 176.300 0.050 0.000 1.137 461 R CA 1.669 57.793 56.100 0.040 0.000 0.943 461 R CB -0.516 29.792 30.300 0.014 0.000 0.850 461 R HN 0.211 nan 8.270 nan 0.000 0.433 462 R N 0.089 120.630 120.500 0.067 0.000 2.120 462 R HA -0.064 4.267 4.340 -0.015 0.000 0.234 462 R C 2.132 178.480 176.300 0.081 0.000 1.123 462 R CA 1.207 57.361 56.100 0.089 0.000 0.975 462 R CB -0.280 30.095 30.300 0.125 0.000 0.866 462 R HN 0.275 nan 8.270 nan 0.000 0.446 463 L N 0.676 121.953 121.223 0.090 0.000 2.072 463 L HA -0.129 4.202 4.340 -0.015 0.000 0.205 463 L C 1.827 178.701 176.870 0.007 0.000 1.079 463 L CA 1.559 56.449 54.840 0.083 0.000 0.752 463 L CB -0.136 42.022 42.059 0.164 0.000 0.906 463 L HN 0.293 nan 8.230 nan 0.000 0.436 464 E N -0.511 119.676 120.200 -0.020 0.000 2.118 464 E HA -0.293 4.048 4.350 -0.015 0.000 0.195 464 E C 2.184 178.727 176.600 -0.094 0.000 0.992 464 E CA 1.067 57.379 56.400 -0.147 0.000 0.804 464 E CB -0.144 29.489 29.700 -0.112 0.000 0.741 464 E HN 0.347 nan 8.360 nan 0.000 0.458 465 R N 0.639 121.117 120.500 -0.037 0.000 2.081 465 R HA -0.139 4.192 4.340 -0.015 0.000 0.235 465 R C 2.205 178.485 176.300 -0.033 0.000 1.131 465 R CA 1.372 57.454 56.100 -0.030 0.000 0.960 465 R CB -0.173 30.123 30.300 -0.007 0.000 0.856 465 R HN 0.176 nan 8.270 nan 0.000 0.436 466 A N 0.548 123.358 122.820 -0.016 0.000 1.968 466 A HA -0.038 4.273 4.320 -0.015 0.000 0.217 466 A C 2.062 179.626 177.584 -0.034 0.000 1.169 466 A CA 0.838 52.867 52.037 -0.012 0.000 0.638 466 A CB -0.214 18.795 19.000 0.015 0.000 0.812 466 A HN 0.324 nan 8.150 nan 0.000 0.446 467 L N -0.869 120.317 121.223 -0.063 0.000 2.341 467 L HA 0.133 4.465 4.340 -0.015 0.000 0.214 467 L C 1.774 178.593 176.870 -0.085 0.000 1.115 467 L CA 0.105 54.894 54.840 -0.085 0.000 0.820 467 L CB -0.571 41.394 42.059 -0.156 0.000 0.944 467 L HN 0.404 nan 8.230 nan 0.000 0.452 468 A N 0.000 122.771 122.820 -0.082 0.000 2.254 468 A HA 0.000 4.311 4.320 -0.015 0.000 0.244 468 A CA 0.000 51.996 52.037 -0.069 0.000 0.836 468 A CB 0.000 18.962 19.000 -0.063 0.000 0.831 468 A HN 0.000 nan 8.150 nan 0.000 0.486