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 1e3m_1_A DATA FIRST_RESID 2 DATA SEQUENCE SAIENFDAHT PXXQQYLRLK AQHPEILLFY RXGDFYELFY DDAKRASQLL DATA SEQUENCE DISLTKRGAS AGEPIPXAGI PYHAVENYLA KLVNQGESVA ICEQIGDPAT DATA SEQUENCE SKGPVERKVV RIVTPGTISD EALLQERQDN LLAAIWQDSK GFGYATLDIS DATA SEQUENCE SGRFRLSEPA DRETXAAELQ RTNPAELLYA EDFAEXSLIE GRRGLRRRPL DATA SEQUENCE WEFEIDTARQ QLNLQFGTRD LVGFGVENAP RGLCAAGCLL QYAKDTQRTT DATA SEQUENCE LPHIRSITXE REQDSIIXDA ATRRNLEITQ NLAGGAENTL ASVLDCTVTP DATA SEQUENCE XGSRXLKRWL HXPVRDTRVL LERQQTIGAL QDFTAGLQPV LRQVGDLERI DATA SEQUENCE LARLALRTAR PRDLARXRHA FQQLPELRAQ LETVDSAPVQ ALREKXGEFA DATA SEQUENCE ELRDLLERAI IDTPPVLVRD GGVIASGYNE ELDEWRALAD GATDYLERLE DATA SEQUENCE VRERERTGLD TLKVGFNAVH GYYIQISRGQ SHLAPINYXR RQTLKNAERY DATA SEQUENCE IIPELKEYED KVLTSKGKAL ALEKQLYEEL FDLLLPHLEA LQQSASALAE DATA SEQUENCE LDVLVNLAER AYTLNYTCPT FIDKPGIRIT EGRHPVVEQV LNEPFIANPL DATA SEQUENCE NLSPQRRXLI ITGPNXGGKS TYXRQTALIA LXAYIGSYVP AQKVEIGPID DATA SEQUENCE RIFTRVGXXX XXXXXXXXFX VEXTETANIL HNATEYSLVL XDEIGRGTST DATA SEQUENCE YDGLSLAWAC AENLANKIKA LTLFATHYFE LTQLPEKXEG VANVHLDALE DATA SEQUENCE HGDTIAFXHS VQDGAASKSY GLAVAALAGV PKEVIKRARQ KLRELESIS 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.600 174.600 -0.001 0.000 1.055 2 S CA 0.000 58.204 58.200 0.007 0.000 1.107 2 S CB 0.000 63.204 63.200 0.006 0.000 0.593 3 A N 2.705 125.524 122.820 -0.002 0.000 2.462 3 A HA 0.600 4.920 4.320 0.000 0.000 0.243 3 A C 0.104 177.672 177.584 -0.028 0.000 1.076 3 A CA -0.170 51.857 52.037 -0.017 0.000 0.773 3 A CB -0.224 18.762 19.000 -0.023 0.000 1.010 3 A HN 0.783 nan 8.150 nan 0.000 0.493 4 I N 1.857 122.406 120.570 -0.036 0.000 2.436 4 I HA 0.063 4.233 4.170 0.000 0.000 0.289 4 I C 0.451 176.520 176.117 -0.080 0.000 1.083 4 I CA 0.562 61.839 61.300 -0.039 0.000 1.372 4 I CB 0.571 38.554 38.000 -0.027 0.000 1.408 4 I HN 0.691 nan 8.210 nan 0.000 0.516 5 E N 6.381 126.536 120.200 -0.075 0.000 2.674 5 E HA 0.094 4.444 4.350 0.000 0.000 0.240 5 E C -0.587 175.967 176.600 -0.077 0.000 1.213 5 E CA -0.491 55.805 56.400 -0.172 0.000 1.357 5 E CB 0.071 29.737 29.700 -0.056 0.000 1.467 5 E HN 0.584 nan 8.360 nan 0.000 0.448 6 N N 0.572 119.240 118.700 -0.054 0.000 2.453 6 N HA -0.065 4.675 4.740 0.000 0.000 0.253 6 N C 0.756 176.334 175.510 0.113 0.000 1.252 6 N CA -0.212 52.871 53.050 0.055 0.000 0.917 6 N CB 0.987 39.501 38.487 0.045 0.000 1.117 6 N HN 0.115 nan 8.380 nan 0.000 0.442 7 F N 0.982 120.982 119.950 0.083 0.000 2.063 7 F HA -0.312 4.215 4.527 0.000 0.000 0.297 7 F C 1.537 177.392 175.800 0.092 0.000 1.099 7 F CA 2.099 60.175 58.000 0.127 0.000 1.220 7 F CB -0.105 38.940 39.000 0.074 0.000 0.972 7 F HN 0.467 nan 8.300 nan 0.000 0.487 8 D N -0.097 120.438 120.400 0.226 0.000 2.310 8 D HA -0.070 4.570 4.640 0.000 0.000 0.212 8 D C 2.052 178.339 176.300 -0.021 0.000 0.965 8 D CA 1.103 55.169 54.000 0.109 0.000 0.879 8 D CB -0.366 40.505 40.800 0.119 0.000 0.921 8 D HN 0.414 nan 8.370 nan 0.000 0.510 9 A N 0.037 122.799 122.820 -0.097 0.000 2.208 9 A HA -0.040 4.280 4.320 0.000 0.000 0.209 9 A C 0.758 178.198 177.584 -0.240 0.000 1.161 9 A CA 0.319 52.250 52.037 -0.178 0.000 0.782 9 A CB -0.078 18.782 19.000 -0.232 0.000 0.816 9 A HN 0.144 nan 8.150 nan 0.000 0.477 10 H N 0.468 119.459 119.070 -0.131 0.000 2.483 10 H HA 0.335 4.891 4.556 0.000 0.000 0.338 10 H C 0.479 175.700 175.328 -0.179 0.000 1.152 10 H CA 0.467 56.417 56.048 -0.163 0.000 1.264 10 H CB 1.193 30.814 29.762 -0.235 0.000 1.510 10 H HN 0.317 nan 8.280 nan 0.000 0.530 11 T N 0.765 115.326 114.554 0.012 0.000 2.860 11 T HA 0.187 4.537 4.350 0.000 0.000 0.299 11 T C -2.196 172.453 174.700 -0.084 0.000 1.045 11 T CA -1.393 60.679 62.100 -0.046 0.000 1.071 11 T CB 0.429 69.266 68.868 -0.052 0.000 0.985 11 T HN 0.266 nan 8.240 nan 0.000 0.537 16 Q N 0.550 120.374 119.800 0.040 0.000 2.050 16 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 16 Q C 1.834 177.920 176.000 0.142 0.000 0.980 16 Q CA 1.872 57.760 55.803 0.140 0.000 0.840 16 Q CB -0.086 28.766 28.738 0.190 0.000 0.898 16 Q HN 0.416 nan 8.270 nan 0.000 0.424 17 Y N 0.823 121.090 120.300 -0.054 0.000 2.145 17 Y HA -0.211 4.339 4.550 0.000 0.000 0.286 17 Y C 1.818 177.643 175.900 -0.125 0.000 1.145 17 Y CA 1.711 59.653 58.100 -0.265 0.000 1.148 17 Y CB -0.219 37.895 38.460 -0.577 0.000 0.981 17 Y HN 0.115 nan 8.280 nan 0.000 0.507 18 L N -0.118 121.051 121.223 -0.090 0.000 2.141 18 L HA -0.190 4.150 4.340 0.000 0.000 0.209 18 L C 2.605 179.416 176.870 -0.099 0.000 1.094 18 L CA 1.232 55.993 54.840 -0.132 0.000 0.763 18 L CB -0.455 41.534 42.059 -0.116 0.000 0.908 18 L HN 0.178 nan 8.230 nan 0.000 0.437 19 R N -0.161 120.332 120.500 -0.012 0.000 2.092 19 R HA -0.109 4.231 4.340 0.000 0.000 0.231 19 R C 2.255 178.556 176.300 0.001 0.000 1.119 19 R CA 1.105 57.227 56.100 0.037 0.000 0.970 19 R CB -0.312 30.055 30.300 0.113 0.000 0.864 19 R HN 0.326 nan 8.270 nan 0.000 0.440 20 L N 0.556 121.770 121.223 -0.016 0.000 2.109 20 L HA -0.124 4.216 4.340 0.000 0.000 0.207 20 L C 2.433 179.307 176.870 0.006 0.000 1.086 20 L CA 1.059 55.923 54.840 0.041 0.000 0.760 20 L CB -0.191 41.951 42.059 0.138 0.000 0.910 20 L HN -0.010 nan 8.230 nan 0.000 0.437 21 K N 0.673 120.942 120.400 -0.219 0.000 2.211 21 K HA -0.071 4.249 4.320 0.000 0.000 0.203 21 K C 1.940 178.500 176.600 -0.066 0.000 1.050 21 K CA 1.309 57.475 56.287 -0.202 0.000 0.945 21 K CB -0.211 31.999 32.500 -0.484 0.000 0.732 21 K HN 0.198 nan 8.250 nan 0.000 0.451 22 A N 0.549 123.325 122.820 -0.073 0.000 2.019 22 A HA -0.166 4.154 4.320 0.000 0.000 0.219 22 A C 1.797 179.337 177.584 -0.074 0.000 1.164 22 A CA 1.483 53.492 52.037 -0.048 0.000 0.644 22 A CB -0.410 18.573 19.000 -0.028 0.000 0.805 22 A HN 0.531 nan 8.150 nan 0.000 0.449 23 Q N -1.031 118.699 119.800 -0.117 0.000 2.444 23 Q HA 0.020 4.361 4.340 0.000 0.000 0.206 23 Q C -0.425 175.169 176.000 -0.676 0.000 0.948 23 Q CA 0.447 56.055 55.803 -0.325 0.000 0.946 23 Q CB 0.207 28.750 28.738 -0.326 0.000 1.027 23 Q HN 0.808 nan 8.270 nan 0.000 0.513 24 H N -1.589 117.471 119.070 -0.016 0.000 2.823 24 H HA 0.156 4.713 4.556 0.000 0.000 0.222 24 H C -2.167 173.160 175.328 -0.001 0.000 1.414 24 H CA -1.436 54.607 56.048 -0.008 0.000 1.289 24 H CB 0.990 30.745 29.762 -0.010 0.000 1.970 24 H HN 0.093 nan 8.280 nan 0.000 0.517 25 P HA -0.089 nan 4.420 nan 0.000 0.218 25 P C 1.037 178.373 177.300 0.062 0.000 1.149 25 P CA 1.281 64.408 63.100 0.045 0.000 0.817 25 P CB 0.527 32.240 31.700 0.022 0.000 0.785 26 E N -0.903 119.337 120.200 0.066 0.000 2.476 26 E HA 0.148 4.498 4.350 0.000 0.000 0.199 26 E C 0.886 177.528 176.600 0.069 0.000 1.021 26 E CA -0.122 56.316 56.400 0.064 0.000 0.907 26 E CB 0.211 29.944 29.700 0.055 0.000 0.974 26 E HN 0.356 nan 8.360 nan 0.000 0.489 27 I N -2.068 118.551 120.570 0.081 0.000 2.740 27 I HA 0.357 4.527 4.170 0.000 0.000 0.303 27 I C -0.359 175.794 176.117 0.060 0.000 1.044 27 I CA -1.269 60.067 61.300 0.059 0.000 1.064 27 I CB 1.451 39.477 38.000 0.044 0.000 1.249 27 I HN -0.242 nan 8.210 nan 0.000 0.433 28 L N 4.065 125.308 121.223 0.033 0.000 2.540 28 L HA 0.088 4.428 4.340 0.000 0.000 0.276 28 L C -0.344 176.547 176.870 0.035 0.000 1.212 28 L CA -0.016 54.860 54.840 0.059 0.000 0.893 28 L CB 0.485 42.565 42.059 0.036 0.000 1.138 28 L HN 0.488 nan 8.230 nan 0.000 0.491 29 L N 4.878 126.191 121.223 0.150 0.000 2.295 29 L HA 0.452 4.792 4.340 0.000 0.000 0.281 29 L C -0.668 176.437 176.870 0.392 0.000 1.018 29 L CA 0.006 54.951 54.840 0.175 0.000 0.841 29 L CB 0.581 42.747 42.059 0.178 0.000 1.218 29 L HN 0.143 nan 8.230 nan 0.000 0.424 30 F N 5.177 125.156 119.950 0.049 0.000 2.471 30 F HA 0.198 4.726 4.527 0.000 0.000 0.365 30 F C -0.285 175.682 175.800 0.277 0.000 1.095 30 F CA -0.155 57.885 58.000 0.066 0.000 1.174 30 F CB 0.125 38.995 39.000 -0.216 0.000 1.105 30 F HN 0.404 nan 8.300 nan 0.000 0.535 31 Y N 4.603 125.114 120.300 0.352 0.000 2.334 31 Y HA 0.457 5.007 4.550 0.000 0.000 0.336 31 Y C 0.402 176.492 175.900 0.316 0.000 0.960 31 Y CA -1.063 57.251 58.100 0.358 0.000 1.164 31 Y CB 0.389 39.112 38.460 0.438 0.000 1.155 31 Y HN 0.597 nan 8.280 nan 0.000 0.478 35 D N 0.183 120.569 120.400 -0.023 0.000 2.336 35 D HA 0.351 4.991 4.640 0.000 0.000 0.229 35 D C -0.415 175.773 176.300 -0.187 0.000 1.061 35 D CA 0.403 54.353 54.000 -0.083 0.000 0.875 35 D CB 0.008 40.825 40.800 0.028 0.000 0.904 35 D HN 0.038 nan 8.370 nan 0.000 0.525 36 F N -0.638 119.209 119.950 -0.172 0.000 2.577 36 F HA 0.378 4.905 4.527 0.000 0.000 0.318 36 F C -0.417 175.208 175.800 -0.292 0.000 1.065 36 F CA -1.135 56.748 58.000 -0.195 0.000 0.929 36 F CB 1.166 40.082 39.000 -0.140 0.000 1.237 36 F HN -0.277 nan 8.300 nan 0.000 0.468 37 Y N 1.483 121.779 120.300 -0.006 0.000 2.326 37 Y HA 0.429 4.979 4.550 0.000 0.000 0.337 37 Y C 0.003 175.786 175.900 -0.195 0.000 1.023 37 Y CA -0.686 57.349 58.100 -0.107 0.000 1.143 37 Y CB 0.917 39.211 38.460 -0.277 0.000 1.183 37 Y HN 0.497 nan 8.280 nan 0.000 0.485 38 E N 3.097 123.307 120.200 0.017 0.000 2.263 38 E HA 0.726 5.076 4.350 0.000 0.000 0.264 38 E C -1.491 174.871 176.600 -0.396 0.000 0.923 38 E CA -1.025 55.213 56.400 -0.270 0.000 0.802 38 E CB 2.207 31.700 29.700 -0.344 0.000 1.228 38 E HN 0.353 nan 8.360 nan 0.000 0.417 39 L N 0.913 121.722 121.223 -0.690 0.000 2.350 39 L HA 0.602 4.943 4.340 0.000 0.000 0.260 39 L C -1.066 175.199 176.870 -1.009 0.000 1.015 39 L CA -0.520 53.996 54.840 -0.541 0.000 0.821 39 L CB 0.975 42.938 42.059 -0.160 0.000 1.370 39 L HN 0.456 nan 8.230 nan 0.000 0.416 40 F N -0.592 119.273 119.950 -0.142 0.000 2.629 40 F HA 0.697 5.224 4.527 0.000 0.000 0.316 40 F C -0.092 175.662 175.800 -0.077 0.000 1.081 40 F CA -0.897 56.898 58.000 -0.340 0.000 0.954 40 F CB 1.015 39.525 39.000 -0.816 0.000 1.337 40 F HN 0.380 nan 8.300 nan 0.000 0.474 41 Y N -0.524 119.875 120.300 0.165 0.000 2.875 41 Y HA -0.405 4.145 4.550 0.000 0.000 0.467 41 Y C 1.888 177.841 175.900 0.088 0.000 1.183 41 Y CA 1.026 59.194 58.100 0.113 0.000 2.568 41 Y CB -1.417 37.123 38.460 0.132 0.000 1.216 41 Y HN 0.674 nan 8.280 nan 0.000 0.629 42 D N -0.311 120.275 120.400 0.310 0.000 2.182 42 D HA -0.152 4.488 4.640 0.000 0.000 0.201 42 D C 1.383 177.771 176.300 0.147 0.000 0.986 42 D CA 1.821 55.929 54.000 0.181 0.000 0.847 42 D CB -0.195 40.694 40.800 0.148 0.000 0.942 42 D HN 0.469 nan 8.370 nan 0.000 0.467 43 D N 0.078 120.587 120.400 0.180 0.000 2.117 43 D HA -0.104 4.536 4.640 0.000 0.000 0.197 43 D C 1.958 178.307 176.300 0.081 0.000 0.987 43 D CA 1.132 55.219 54.000 0.145 0.000 0.829 43 D CB -0.282 40.636 40.800 0.196 0.000 0.961 43 D HN 0.201 nan 8.370 nan 0.000 0.460 44 A N 0.818 123.661 122.820 0.039 0.000 1.898 44 A HA -0.200 4.120 4.320 0.000 0.000 0.216 44 A C 2.027 179.608 177.584 -0.005 0.000 1.181 44 A CA 1.483 53.495 52.037 -0.042 0.000 0.620 44 A CB -0.325 18.613 19.000 -0.104 0.000 0.819 44 A HN 0.160 nan 8.150 nan 0.000 0.442 45 K N -0.836 119.583 120.400 0.030 0.000 2.057 45 K HA -0.105 4.215 4.320 0.000 0.000 0.206 45 K C 2.359 178.983 176.600 0.040 0.000 1.050 45 K CA 1.399 57.706 56.287 0.034 0.000 0.935 45 K CB -0.154 32.376 32.500 0.051 0.000 0.715 45 K HN 0.403 nan 8.250 nan 0.000 0.439 46 R N 0.926 121.459 120.500 0.056 0.000 2.073 46 R HA -0.127 4.213 4.340 0.000 0.000 0.234 46 R C 2.303 178.638 176.300 0.060 0.000 1.134 46 R CA 1.516 57.652 56.100 0.060 0.000 0.952 46 R CB -0.294 30.049 30.300 0.072 0.000 0.850 46 R HN 0.227 nan 8.270 nan 0.000 0.433 47 A N -0.294 122.563 122.820 0.061 0.000 1.908 47 A HA -0.204 4.116 4.320 0.000 0.000 0.218 47 A C 2.153 179.762 177.584 0.041 0.000 1.181 47 A CA 1.972 54.049 52.037 0.067 0.000 0.627 47 A CB -0.916 18.115 19.000 0.052 0.000 0.818 47 A HN 0.468 nan 8.150 nan 0.000 0.445 48 S N -1.029 114.681 115.700 0.017 0.000 2.365 48 S HA -0.264 4.206 4.470 0.000 0.000 0.225 48 S C 2.215 176.835 174.600 0.033 0.000 1.039 48 S CA 1.909 60.115 58.200 0.011 0.000 1.033 48 S CB -0.350 62.850 63.200 0.000 0.000 0.887 48 S HN 0.678 nan 8.310 nan 0.000 0.447 49 Q N -0.248 119.575 119.800 0.038 0.000 2.083 49 Q HA 0.066 4.406 4.340 0.000 0.000 0.198 49 Q C 2.300 178.331 176.000 0.052 0.000 0.969 49 Q CA 1.185 57.013 55.803 0.041 0.000 0.838 49 Q CB -0.126 28.636 28.738 0.039 0.000 0.900 49 Q HN 0.549 nan 8.270 nan 0.000 0.436 50 L N -0.013 121.248 121.223 0.063 0.000 2.109 50 L HA -0.115 4.225 4.340 0.000 0.000 0.207 50 L C 1.904 178.834 176.870 0.100 0.000 1.086 50 L CA 0.841 55.725 54.840 0.074 0.000 0.760 50 L CB -0.095 42.013 42.059 0.081 0.000 0.910 50 L HN 0.211 nan 8.230 nan 0.000 0.437 51 L N -1.494 119.803 121.223 0.124 0.000 2.664 51 L HA 0.144 4.484 4.340 0.000 0.000 0.233 51 L C -0.029 176.951 176.870 0.183 0.000 1.113 51 L CA -0.151 54.811 54.840 0.203 0.000 0.896 51 L CB -0.067 42.145 42.059 0.255 0.000 1.163 51 L HN 0.151 nan 8.230 nan 0.000 0.497 52 D N 1.704 122.168 120.400 0.107 0.000 2.737 52 D HA -0.180 4.460 4.640 0.000 0.000 0.238 52 D C -0.273 176.077 176.300 0.083 0.000 1.157 52 D CA 0.521 54.569 54.000 0.081 0.000 0.694 52 D CB -0.506 40.337 40.800 0.072 0.000 1.021 52 D HN 0.483 nan 8.370 nan 0.000 0.420 53 I N -3.494 117.105 120.570 0.048 0.000 3.067 53 I HA 0.591 4.761 4.170 0.000 0.000 0.312 53 I C 0.193 176.304 176.117 -0.010 0.000 1.073 53 I CA -1.125 60.182 61.300 0.012 0.000 1.016 53 I CB 1.996 39.963 38.000 -0.056 0.000 1.227 53 I HN 0.009 nan 8.210 nan 0.000 0.456 54 S N 2.694 118.380 115.700 -0.024 0.000 2.505 54 S HA 0.327 4.797 4.470 0.000 0.000 0.276 54 S C -0.442 174.129 174.600 -0.049 0.000 1.274 54 S CA -0.553 57.630 58.200 -0.028 0.000 1.053 54 S CB 0.317 63.500 63.200 -0.027 0.000 0.919 54 S HN 0.504 nan 8.310 nan 0.000 0.490 55 L N 6.345 127.546 121.223 -0.037 0.000 2.315 55 L HA 0.512 4.852 4.340 0.000 0.000 0.283 55 L C 0.439 177.281 176.870 -0.047 0.000 1.089 55 L CA 0.738 55.551 54.840 -0.044 0.000 0.833 55 L CB 0.900 42.946 42.059 -0.023 0.000 1.170 55 L HN 0.839 nan 8.230 nan 0.000 0.442 56 T N 4.096 118.611 114.554 -0.065 0.000 2.598 56 T HA 0.702 5.052 4.350 0.000 0.000 0.254 56 T C -1.191 173.474 174.700 -0.057 0.000 0.889 56 T CA -0.588 61.476 62.100 -0.060 0.000 1.091 56 T CB 0.921 69.744 68.868 -0.075 0.000 1.437 56 T HN 0.685 nan 8.240 nan 0.000 0.542 57 K N 0.585 120.951 120.400 -0.056 0.000 2.556 57 K HA 0.508 4.828 4.320 0.000 0.000 0.274 57 K C -1.291 175.276 176.600 -0.054 0.000 0.966 57 K CA -1.059 55.197 56.287 -0.052 0.000 0.865 57 K CB 2.139 34.613 32.500 -0.044 0.000 1.444 57 K HN 0.642 nan 8.250 nan 0.000 0.433 58 R N 0.692 121.158 120.500 -0.058 0.000 2.338 58 R HA 0.359 4.699 4.340 0.000 0.000 0.317 58 R C -0.035 176.218 176.300 -0.079 0.000 0.968 58 R CA -0.305 55.753 56.100 -0.070 0.000 0.849 58 R CB 1.245 31.493 30.300 -0.087 0.000 1.128 58 R HN 0.851 nan 8.270 nan 0.000 0.448 59 G N 1.841 110.602 108.800 -0.065 0.000 2.614 59 G HA2 0.393 4.353 3.960 0.000 0.000 0.239 59 G HA3 0.393 4.353 3.960 0.000 0.000 0.239 59 G C -0.926 173.938 174.900 -0.061 0.000 1.240 59 G CA -0.108 44.960 45.100 -0.054 0.000 0.842 59 G HN 0.753 nan 8.290 nan 0.000 0.584 60 A N 0.439 123.231 122.820 -0.046 0.000 2.422 60 A HA 0.635 4.955 4.320 0.000 0.000 0.302 60 A C 0.631 178.196 177.584 -0.031 0.000 1.041 60 A CA 0.039 52.051 52.037 -0.041 0.000 0.708 60 A CB 1.823 20.804 19.000 -0.031 0.000 1.257 60 A HN 0.932 nan 8.150 nan 0.000 0.414 61 S N 0.844 116.525 115.700 -0.031 0.000 2.593 61 S HA 0.241 4.711 4.470 0.000 0.000 0.217 61 S C 1.070 175.654 174.600 -0.027 0.000 0.966 61 S CA 1.071 59.255 58.200 -0.027 0.000 0.914 61 S CB -0.170 63.013 63.200 -0.027 0.000 0.776 61 S HN 1.422 nan 8.310 nan 0.000 0.523 62 A N -0.310 122.493 122.820 -0.029 0.000 2.594 62 A HA 0.678 4.998 4.320 0.000 0.000 0.287 62 A C 1.187 178.755 177.584 -0.026 0.000 1.227 62 A CA 0.382 52.398 52.037 -0.034 0.000 0.952 62 A CB -0.464 18.504 19.000 -0.053 0.000 1.161 62 A HN 0.845 nan 8.150 nan 0.000 0.524 63 G N 0.132 108.921 108.800 -0.018 0.000 2.979 63 G HA2 -0.192 3.768 3.960 0.000 0.000 0.238 63 G HA3 -0.192 3.768 3.960 0.000 0.000 0.238 63 G C -0.163 174.736 174.900 -0.000 0.000 1.805 63 G CA -0.185 44.909 45.100 -0.010 0.000 1.389 63 G HN 0.435 nan 8.290 nan 0.000 0.517 64 E N 3.825 124.033 120.200 0.013 0.000 2.238 64 E HA 0.333 4.684 4.350 0.000 0.000 0.264 64 E C -1.995 174.622 176.600 0.028 0.000 1.136 64 E CA -0.941 55.478 56.400 0.032 0.000 0.929 64 E CB 0.728 30.464 29.700 0.060 0.000 1.010 64 E HN 0.322 nan 8.360 nan 0.000 0.440 65 P HA -0.011 nan 4.420 nan 0.000 0.266 65 P C -0.327 176.955 177.300 -0.029 0.000 1.195 65 P CA 0.370 63.459 63.100 -0.019 0.000 0.768 65 P CB 0.648 32.337 31.700 -0.019 0.000 0.838 66 I N 4.735 125.246 120.570 -0.099 0.000 2.312 66 I HA 0.201 4.372 4.170 0.000 0.000 0.291 66 I C -1.837 174.181 176.117 -0.166 0.000 1.031 66 I CA -2.487 58.678 61.300 -0.223 0.000 1.293 66 I CB 0.785 38.521 38.000 -0.440 0.000 1.403 66 I HN 0.162 nan 8.210 nan 0.000 0.484 70 G N -0.828 107.828 108.800 -0.240 0.000 2.523 70 G HA2 0.741 4.701 3.960 0.000 0.000 0.291 70 G HA3 0.741 4.701 3.960 0.000 0.000 0.291 70 G C -1.459 173.373 174.900 -0.114 0.000 1.450 70 G CA 0.245 45.223 45.100 -0.203 0.000 0.790 70 G HN 2.103 nan 8.290 nan 0.000 0.496 71 I N -2.064 118.444 120.570 -0.104 0.000 2.769 71 I HA 0.725 4.895 4.170 0.000 0.000 0.298 71 I C -2.722 173.218 176.117 -0.295 0.000 1.128 71 I CA -2.923 58.249 61.300 -0.214 0.000 1.031 71 I CB 2.506 40.121 38.000 -0.642 0.000 1.235 71 I HN 0.297 nan 8.210 nan 0.000 0.423 72 P HA -0.033 nan 4.420 nan 0.000 0.268 72 P C 0.101 176.988 177.300 -0.689 0.000 1.205 72 P CA 0.169 62.619 63.100 -1.083 0.000 0.771 72 P CB 0.250 31.280 31.700 -1.117 0.000 0.858 73 Y N 3.545 123.457 120.300 -0.647 0.000 2.207 73 Y HA -0.261 4.289 4.550 0.000 0.000 0.287 73 Y C 2.289 178.113 175.900 -0.128 0.000 1.156 73 Y CA 1.724 59.622 58.100 -0.338 0.000 1.182 73 Y CB -1.890 36.314 38.460 -0.427 0.000 0.979 73 Y HN 0.500 nan 8.280 nan 0.000 0.521 74 H N -0.538 117.894 119.070 -1.063 0.000 2.546 74 H HA 0.331 4.887 4.556 0.000 0.000 0.277 74 H C 1.388 176.551 175.328 -0.274 0.000 1.004 74 H CA 0.822 56.412 56.048 -0.765 0.000 1.231 74 H CB -0.188 29.095 29.762 -0.799 0.000 1.382 74 H HN 0.524 nan 8.280 nan 0.000 0.580 75 A N 1.438 124.092 122.820 -0.277 0.000 2.465 75 A HA 0.272 4.593 4.320 0.000 0.000 0.255 75 A C 2.168 179.837 177.584 0.142 0.000 1.274 75 A CA 0.136 52.165 52.037 -0.013 0.000 0.920 75 A CB -0.176 18.837 19.000 0.021 0.000 1.033 75 A HN 0.244 nan 8.150 nan 0.000 0.516 76 V N 0.185 120.178 119.914 0.132 0.000 2.332 76 V HA -0.213 3.907 4.120 0.000 0.000 0.248 76 V C 2.294 178.515 176.094 0.212 0.000 1.055 76 V CA 2.677 65.116 62.300 0.233 0.000 1.038 76 V CB -0.347 31.620 31.823 0.241 0.000 0.651 76 V HN 0.604 nan 8.190 nan 0.000 0.450 77 E N 0.386 120.655 120.200 0.116 0.000 2.118 77 E HA -0.208 4.142 4.350 0.000 0.000 0.195 77 E C 2.059 178.679 176.600 0.033 0.000 0.992 77 E CA 1.528 57.965 56.400 0.061 0.000 0.804 77 E CB -0.630 29.087 29.700 0.028 0.000 0.741 77 E HN 0.689 nan 8.360 nan 0.000 0.458 78 N N 0.029 118.728 118.700 -0.002 0.000 2.244 78 N HA -0.133 4.607 4.740 0.000 0.000 0.183 78 N C 1.825 177.219 175.510 -0.194 0.000 1.016 78 N CA 0.849 53.817 53.050 -0.137 0.000 0.866 78 N CB -0.241 38.099 38.487 -0.245 0.000 0.980 78 N HN 0.295 nan 8.380 nan 0.000 0.430 79 Y N 1.210 121.542 120.300 0.054 0.000 2.337 79 Y HA 0.085 4.635 4.550 0.000 0.000 0.293 79 Y C 2.350 178.306 175.900 0.094 0.000 1.123 79 Y CA 0.372 58.529 58.100 0.095 0.000 1.201 79 Y CB -0.340 38.206 38.460 0.143 0.000 1.011 79 Y HN -0.046 nan 8.280 nan 0.000 0.545 80 L N -0.853 120.481 121.223 0.184 0.000 2.046 80 L HA -0.229 4.111 4.340 0.000 0.000 0.208 80 L C 2.683 179.556 176.870 0.006 0.000 1.077 80 L CA 1.049 55.913 54.840 0.039 0.000 0.747 80 L CB -0.800 41.250 42.059 -0.016 0.000 0.896 80 L HN 0.234 nan 8.230 nan 0.000 0.432 81 A N 0.129 122.949 122.820 0.000 0.000 1.873 81 A HA -0.273 4.047 4.320 0.000 0.000 0.218 81 A C 2.339 179.916 177.584 -0.012 0.000 1.193 81 A CA 1.970 53.996 52.037 -0.019 0.000 0.629 81 A CB -0.482 18.497 19.000 -0.036 0.000 0.826 81 A HN 0.298 nan 8.150 nan 0.000 0.447 82 K N -0.731 119.665 120.400 -0.006 0.000 2.074 82 K HA -0.147 4.173 4.320 0.000 0.000 0.209 82 K C 1.948 178.564 176.600 0.028 0.000 1.048 82 K CA 1.685 57.978 56.287 0.010 0.000 0.926 82 K CB -0.415 32.103 32.500 0.030 0.000 0.713 82 K HN 0.520 nan 8.250 nan 0.000 0.444 83 L N -0.025 121.221 121.223 0.038 0.000 2.044 83 L HA -0.131 4.209 4.340 0.000 0.000 0.205 83 L C 2.398 179.264 176.870 -0.006 0.000 1.075 83 L CA 0.613 55.464 54.840 0.020 0.000 0.747 83 L CB -0.430 41.627 42.059 -0.004 0.000 0.903 83 L HN 0.025 nan 8.230 nan 0.000 0.435 84 V N 0.262 120.164 119.914 -0.021 0.000 2.626 84 V HA -0.201 3.919 4.120 0.000 0.000 0.252 84 V C 2.122 178.210 176.094 -0.010 0.000 1.067 84 V CA 1.620 63.906 62.300 -0.022 0.000 1.081 84 V CB -0.467 31.337 31.823 -0.032 0.000 0.686 84 V HN 0.487 nan 8.190 nan 0.000 0.468 85 N N 0.166 118.862 118.700 -0.007 0.000 2.381 85 N HA -0.108 4.632 4.740 0.000 0.000 0.182 85 N C 1.611 177.122 175.510 0.002 0.000 1.025 85 N CA 1.139 54.187 53.050 -0.004 0.000 0.888 85 N CB -0.144 38.339 38.487 -0.006 0.000 0.965 85 N HN 0.664 nan 8.380 nan 0.000 0.438 86 Q N -0.777 119.026 119.800 0.007 0.000 2.320 86 Q HA 0.248 4.588 4.340 0.000 0.000 0.201 86 Q C 0.560 176.567 176.000 0.011 0.000 0.910 86 Q CA 0.131 55.941 55.803 0.012 0.000 0.946 86 Q CB 0.592 29.341 28.738 0.019 0.000 1.062 86 Q HN 0.295 nan 8.270 nan 0.000 0.503 87 G N 1.146 109.950 108.800 0.007 0.000 2.147 87 G HA2 -0.220 3.740 3.960 0.000 0.000 0.244 87 G HA3 -0.220 3.740 3.960 0.000 0.000 0.244 87 G C -0.290 174.617 174.900 0.011 0.000 1.005 87 G CA -0.198 44.907 45.100 0.009 0.000 0.713 87 G HN 0.228 nan 8.290 nan 0.000 0.515 88 E N 0.700 120.902 120.200 0.003 0.000 2.249 88 E HA 0.481 4.831 4.350 0.000 0.000 0.280 88 E C 0.141 176.726 176.600 -0.026 0.000 1.016 88 E CA -0.171 56.227 56.400 -0.003 0.000 0.830 88 E CB 1.470 31.168 29.700 -0.004 0.000 1.081 88 E HN 0.206 nan 8.360 nan 0.000 0.395 89 S N 1.080 116.769 115.700 -0.019 0.000 2.610 89 S HA 0.455 4.925 4.470 0.000 0.000 0.273 89 S C -0.205 174.330 174.600 -0.107 0.000 1.274 89 S CA -0.685 57.489 58.200 -0.044 0.000 1.023 89 S CB 1.122 64.325 63.200 0.005 0.000 0.962 89 S HN 0.247 nan 8.310 nan 0.000 0.523 90 V N 1.653 121.454 119.914 -0.188 0.000 2.668 90 V HA 0.628 4.748 4.120 0.000 0.000 0.304 90 V C -0.184 175.721 176.094 -0.316 0.000 1.071 90 V CA -0.975 61.135 62.300 -0.317 0.000 0.894 90 V CB 1.511 32.971 31.823 -0.606 0.000 1.008 90 V HN 0.978 nan 8.190 nan 0.000 0.425 91 A N 5.968 128.616 122.820 -0.286 0.000 2.328 91 A HA 0.795 5.116 4.320 0.000 0.000 0.284 91 A C -0.390 177.050 177.584 -0.240 0.000 1.160 91 A CA -0.366 51.479 52.037 -0.320 0.000 0.818 91 A CB 0.246 18.908 19.000 -0.563 0.000 1.087 91 A HN 0.635 nan 8.150 nan 0.000 0.504 92 I N 2.655 123.107 120.570 -0.196 0.000 2.306 92 I HA 0.174 4.344 4.170 0.000 0.000 0.288 92 I C 0.097 176.213 176.117 -0.001 0.000 1.036 92 I CA -0.406 60.833 61.300 -0.103 0.000 1.221 92 I CB 0.318 38.242 38.000 -0.126 0.000 1.385 92 I HN 0.632 nan 8.210 nan 0.000 0.472 93 C N 7.841 127.201 119.300 0.100 0.000 2.307 93 C HA 0.516 4.976 4.460 0.000 0.000 0.340 93 C C 0.330 175.386 174.990 0.111 0.000 1.275 93 C CA -0.203 58.875 59.018 0.100 0.000 1.811 93 C CB 0.068 27.903 27.740 0.158 0.000 2.372 93 C HN 0.732 nan 8.230 nan 0.000 0.531 94 E N 3.231 123.467 120.200 0.059 0.000 2.249 94 E HA 0.320 4.670 4.350 0.000 0.000 0.263 94 E C -0.891 175.684 176.600 -0.041 0.000 0.950 94 E CA -0.507 55.915 56.400 0.037 0.000 0.827 94 E CB 1.298 31.035 29.700 0.063 0.000 1.220 94 E HN 0.704 nan 8.360 nan 0.000 0.411 95 Q N 1.161 120.919 119.800 -0.070 0.000 2.295 95 Q HA 0.193 4.533 4.340 0.000 0.000 0.259 95 Q C 0.744 176.718 176.000 -0.043 0.000 0.976 95 Q CA -0.203 55.554 55.803 -0.076 0.000 0.923 95 Q CB 1.005 29.684 28.738 -0.098 0.000 1.185 95 Q HN 0.370 nan 8.270 nan 0.000 0.410 96 I N 1.089 121.643 120.570 -0.026 0.000 2.927 96 I HA 0.093 4.263 4.170 0.000 0.000 0.268 96 I C 1.175 177.284 176.117 -0.013 0.000 1.153 96 I CA 0.748 62.041 61.300 -0.012 0.000 1.459 96 I CB -0.748 37.253 38.000 0.002 0.000 1.149 96 I HN 0.601 nan 8.210 nan 0.000 0.443 97 G N 0.205 108.997 108.800 -0.014 0.000 2.568 97 G HA2 0.248 4.208 3.960 0.000 0.000 0.293 97 G HA3 0.248 4.208 3.960 0.000 0.000 0.293 97 G C -1.192 173.695 174.900 -0.021 0.000 1.347 97 G CA -0.082 45.011 45.100 -0.012 0.000 1.039 97 G HN 0.139 nan 8.290 nan 0.000 0.523 98 D N -0.941 119.449 120.400 -0.018 0.000 2.329 98 D HA 0.420 5.060 4.640 0.000 0.000 0.232 98 D C -1.488 174.801 176.300 -0.019 0.000 1.088 98 D CA -2.097 51.889 54.000 -0.023 0.000 0.835 98 D CB 2.032 42.819 40.800 -0.021 0.000 1.078 98 D HN -0.095 nan 8.370 nan 0.000 0.495 99 P HA -0.126 nan 4.420 nan 0.000 0.216 99 P C 0.918 178.210 177.300 -0.014 0.000 1.150 99 P CA 1.272 64.361 63.100 -0.019 0.000 0.843 99 P CB 0.122 31.807 31.700 -0.026 0.000 0.787 100 A N -0.845 121.965 122.820 -0.017 0.000 2.225 100 A HA -0.089 4.231 4.320 0.000 0.000 0.215 100 A C 1.598 179.177 177.584 -0.009 0.000 1.164 100 A CA 1.951 53.980 52.037 -0.013 0.000 0.710 100 A CB -1.381 17.610 19.000 -0.016 0.000 0.780 100 A HN 0.371 nan 8.150 nan 0.000 0.473 101 T N -4.384 110.165 114.554 -0.008 0.000 3.337 101 T HA 0.384 4.734 4.350 0.000 0.000 0.299 101 T C -0.045 174.654 174.700 -0.000 0.000 0.998 101 T CA 0.089 62.187 62.100 -0.004 0.000 0.948 101 T CB -0.064 68.802 68.868 -0.004 0.000 1.170 101 T HN 0.027 nan 8.240 nan 0.000 0.508 102 S N 1.518 117.218 115.700 -0.000 0.000 2.474 102 S HA 0.475 4.945 4.470 0.000 0.000 0.321 102 S C 0.799 175.403 174.600 0.006 0.000 1.080 102 S CA -0.856 57.347 58.200 0.004 0.000 1.106 102 S CB 2.140 65.342 63.200 0.004 0.000 0.984 102 S HN 0.265 nan 8.310 nan 0.000 0.464 103 K N 3.393 123.799 120.400 0.010 0.000 1.965 103 K HA -0.009 4.311 4.320 0.000 0.000 0.218 103 K C 1.332 177.940 176.600 0.012 0.000 1.048 103 K CA 1.749 58.042 56.287 0.011 0.000 0.960 103 K CB -0.736 31.772 32.500 0.014 0.000 0.732 103 K HN 0.735 nan 8.250 nan 0.000 0.444 104 G N -0.542 108.269 108.800 0.019 0.000 2.630 104 G HA2 0.327 4.287 3.960 0.000 0.000 0.223 104 G HA3 0.327 4.287 3.960 0.000 0.000 0.223 104 G C -2.301 172.613 174.900 0.024 0.000 1.434 104 G CA -0.938 44.174 45.100 0.021 0.000 1.057 104 G HN 0.148 nan 8.290 nan 0.000 0.570 105 P HA 0.085 nan 4.420 nan 0.000 0.261 105 P C 0.186 177.508 177.300 0.036 0.000 1.173 105 P CA -0.142 62.983 63.100 0.042 0.000 0.760 105 P CB 0.608 32.349 31.700 0.067 0.000 0.783 106 V N 3.546 123.472 119.914 0.021 0.000 2.872 106 V HA -0.040 4.080 4.120 0.000 0.000 0.307 106 V C 0.788 176.892 176.094 0.018 0.000 1.072 106 V CA -0.170 62.135 62.300 0.010 0.000 1.148 106 V CB 0.396 32.212 31.823 -0.011 0.000 0.954 106 V HN 0.592 nan 8.190 nan 0.000 0.490 107 E N 5.372 125.582 120.200 0.017 0.000 2.502 107 E HA 0.086 4.436 4.350 0.000 0.000 0.261 107 E C -0.256 176.351 176.600 0.011 0.000 0.974 107 E CA 0.239 56.654 56.400 0.025 0.000 0.936 107 E CB 0.425 30.138 29.700 0.021 0.000 0.926 107 E HN 0.606 nan 8.360 nan 0.000 0.459 108 R N 3.411 123.928 120.500 0.029 0.000 2.750 108 R HA 0.506 4.846 4.340 0.000 0.000 0.281 108 R C -0.829 175.497 176.300 0.043 0.000 0.972 108 R CA -0.849 55.254 56.100 0.004 0.000 0.912 108 R CB 1.951 32.225 30.300 -0.044 0.000 1.187 108 R HN 0.418 nan 8.270 nan 0.000 0.464 109 K N 0.798 121.218 120.400 0.034 0.000 2.527 109 K HA 0.304 4.624 4.320 0.000 0.000 0.260 109 K C -1.191 175.441 176.600 0.053 0.000 0.937 109 K CA -0.826 55.495 56.287 0.056 0.000 0.826 109 K CB 2.931 35.456 32.500 0.042 0.000 1.359 109 K HN 0.150 nan 8.250 nan 0.000 0.434 110 V N 3.266 123.220 119.914 0.066 0.000 2.439 110 V HA -0.002 4.118 4.120 0.000 0.000 0.271 110 V C 1.100 177.203 176.094 0.015 0.000 1.040 110 V CA 0.045 62.358 62.300 0.021 0.000 1.002 110 V CB 0.902 32.719 31.823 -0.011 0.000 1.000 110 V HN 0.733 nan 8.190 nan 0.000 0.477 111 V N 3.240 123.155 119.914 0.001 0.000 3.565 111 V HA 0.410 4.530 4.120 0.000 0.000 0.260 111 V C 0.591 176.672 176.094 -0.022 0.000 1.231 111 V CA 0.542 62.843 62.300 0.002 0.000 1.100 111 V CB -0.366 31.469 31.823 0.019 0.000 0.807 111 V HN 0.928 nan 8.190 nan 0.000 0.454 112 R N -0.084 120.385 120.500 -0.051 0.000 2.664 112 R HA 0.589 4.929 4.340 0.000 0.000 0.260 112 R C -2.153 174.072 176.300 -0.126 0.000 1.062 112 R CA -0.868 55.185 56.100 -0.078 0.000 0.902 112 R CB 1.162 31.423 30.300 -0.064 0.000 1.258 112 R HN 0.191 nan 8.270 nan 0.000 0.465 113 I N 3.135 123.622 120.570 -0.139 0.000 2.362 113 I HA 0.306 4.476 4.170 0.000 0.000 0.289 113 I C -0.273 175.754 176.117 -0.150 0.000 0.994 113 I CA -1.377 59.823 61.300 -0.168 0.000 1.158 113 I CB 2.135 40.035 38.000 -0.166 0.000 1.315 113 I HN 0.326 nan 8.210 nan 0.000 0.451 114 V N 5.550 125.368 119.914 -0.160 0.000 2.408 114 V HA 0.342 4.462 4.120 0.000 0.000 0.267 114 V C 0.518 176.554 176.094 -0.096 0.000 1.047 114 V CA -0.079 62.144 62.300 -0.129 0.000 0.937 114 V CB 0.963 32.690 31.823 -0.161 0.000 0.999 114 V HN 0.902 nan 8.190 nan 0.000 0.472 115 T N 2.789 117.313 114.554 -0.049 0.000 2.906 115 T HA 0.508 4.859 4.350 0.000 0.000 0.295 115 T C -2.255 172.454 174.700 0.015 0.000 1.075 115 T CA -2.124 59.979 62.100 0.006 0.000 1.005 115 T CB 2.469 71.390 68.868 0.090 0.000 1.136 115 T HN 0.274 nan 8.240 nan 0.000 0.498 116 P HA 0.060 nan 4.420 nan 0.000 0.217 116 P C 1.364 178.671 177.300 0.011 0.000 1.148 116 P CA 1.281 64.387 63.100 0.010 0.000 0.828 116 P CB -0.185 31.521 31.700 0.010 0.000 0.783 117 G N -2.031 106.786 108.800 0.028 0.000 3.233 117 G HA2 0.031 3.991 3.960 0.000 0.000 0.234 117 G HA3 0.031 3.991 3.960 0.000 0.000 0.234 117 G C 0.730 175.643 174.900 0.021 0.000 1.137 117 G CA 0.488 45.597 45.100 0.015 0.000 0.763 117 G HN 0.346 nan 8.290 nan 0.000 0.549 118 T N -1.178 113.393 114.554 0.029 0.000 3.091 118 T HA 0.343 4.693 4.350 0.000 0.000 0.277 118 T C 0.920 175.612 174.700 -0.013 0.000 0.996 118 T CA -0.534 61.572 62.100 0.009 0.000 0.897 118 T CB -0.309 68.566 68.868 0.012 0.000 1.109 118 T HN 0.293 nan 8.240 nan 0.000 0.534 119 I N 0.739 121.300 120.570 -0.015 0.000 2.696 119 I HA 0.547 4.717 4.170 0.000 0.000 0.284 119 I C 0.830 176.934 176.117 -0.022 0.000 1.129 119 I CA -0.572 60.713 61.300 -0.024 0.000 1.410 119 I CB 1.065 39.050 38.000 -0.025 0.000 1.399 119 I HN 0.155 nan 8.210 nan 0.000 0.579 120 S N 0.974 116.657 115.700 -0.029 0.000 2.728 120 S HA 0.211 4.681 4.470 0.000 0.000 0.257 120 S C 0.067 174.645 174.600 -0.037 0.000 1.060 120 S CA -0.546 57.634 58.200 -0.034 0.000 1.126 120 S CB -0.094 63.078 63.200 -0.047 0.000 1.099 120 S HN 0.711 nan 8.310 nan 0.000 0.617 121 D N 2.762 123.143 120.400 -0.032 0.000 2.350 121 D HA 0.148 4.789 4.640 0.000 0.000 0.249 121 D C 0.995 177.280 176.300 -0.025 0.000 1.119 121 D CA 0.056 54.040 54.000 -0.027 0.000 0.886 121 D CB 1.262 42.048 40.800 -0.022 0.000 1.195 121 D HN 0.395 nan 8.370 nan 0.000 0.437 122 E N 2.222 122.407 120.200 -0.024 0.000 2.171 122 E HA -0.250 4.100 4.350 0.000 0.000 0.197 122 E C 1.546 178.133 176.600 -0.022 0.000 0.997 122 E CA 1.173 57.559 56.400 -0.024 0.000 0.810 122 E CB 0.175 29.861 29.700 -0.024 0.000 0.738 122 E HN 0.524 nan 8.360 nan 0.000 0.467 123 A N 0.461 123.268 122.820 -0.021 0.000 2.014 123 A HA -0.057 4.263 4.320 0.000 0.000 0.218 123 A C 2.002 179.572 177.584 -0.023 0.000 1.163 123 A CA 0.791 52.815 52.037 -0.022 0.000 0.652 123 A CB -0.250 18.737 19.000 -0.022 0.000 0.808 123 A HN 0.304 nan 8.150 nan 0.000 0.449 124 L N -1.021 120.189 121.223 -0.022 0.000 2.529 124 L HA 0.265 4.605 4.340 0.000 0.000 0.223 124 L C 0.365 177.224 176.870 -0.019 0.000 1.113 124 L CA -0.127 54.700 54.840 -0.022 0.000 0.861 124 L CB -0.215 41.830 42.059 -0.024 0.000 1.012 124 L HN 0.210 nan 8.230 nan 0.000 0.461 125 L N -0.334 120.878 121.223 -0.019 0.000 2.332 125 L HA 0.370 4.710 4.340 0.000 0.000 0.269 125 L C -0.106 176.755 176.870 -0.015 0.000 1.016 125 L CA -0.557 54.273 54.840 -0.016 0.000 0.809 125 L CB 1.564 43.613 42.059 -0.017 0.000 1.280 125 L HN 0.051 nan 8.230 nan 0.000 0.447 126 Q N 0.783 120.576 119.800 -0.012 0.000 2.256 126 Q HA 0.192 4.532 4.340 0.000 0.000 0.257 126 Q C 0.152 176.145 176.000 -0.011 0.000 0.936 126 Q CA -0.480 55.316 55.803 -0.011 0.000 0.903 126 Q CB 2.334 31.067 28.738 -0.007 0.000 1.263 126 Q HN 0.558 nan 8.270 nan 0.000 0.440 127 E N 1.603 121.795 120.200 -0.012 0.000 2.038 127 E HA -0.198 4.152 4.350 0.000 0.000 0.195 127 E C 0.716 177.309 176.600 -0.013 0.000 1.000 127 E CA 1.238 57.629 56.400 -0.014 0.000 0.803 127 E CB 0.211 29.901 29.700 -0.015 0.000 0.750 127 E HN 0.368 nan 8.360 nan 0.000 0.448 128 R N 0.337 120.831 120.500 -0.009 0.000 2.515 128 R HA 0.171 4.511 4.340 0.000 0.000 0.294 128 R C -0.143 176.157 176.300 -0.000 0.000 1.021 128 R CA 0.026 56.121 56.100 -0.008 0.000 1.081 128 R CB 0.515 30.810 30.300 -0.008 0.000 1.263 128 R HN 0.147 nan 8.270 nan 0.000 0.557 129 Q N 0.416 120.216 119.800 0.001 0.000 2.323 129 Q HA 0.216 4.557 4.340 0.000 0.000 0.271 129 Q C -1.267 174.736 176.000 0.006 0.000 1.048 129 Q CA -0.841 54.966 55.803 0.007 0.000 0.792 129 Q CB 2.425 31.167 28.738 0.007 0.000 1.280 129 Q HN 0.004 nan 8.270 nan 0.000 0.441 130 D N 1.490 121.896 120.400 0.012 0.000 2.382 130 D HA 0.051 4.691 4.640 0.000 0.000 0.240 130 D C -0.437 175.866 176.300 0.005 0.000 1.146 130 D CA 0.454 54.460 54.000 0.010 0.000 0.897 130 D CB 0.691 41.503 40.800 0.020 0.000 1.197 130 D HN 0.379 nan 8.370 nan 0.000 0.432 131 N N 1.377 120.077 118.700 0.001 0.000 2.609 131 N HA 0.250 4.990 4.740 0.000 0.000 0.268 131 N C -1.396 174.109 175.510 -0.008 0.000 1.106 131 N CA -0.349 52.699 53.050 -0.004 0.000 0.823 131 N CB 0.405 38.889 38.487 -0.006 0.000 1.263 131 N HN 0.191 nan 8.380 nan 0.000 0.533 132 L N 2.030 123.248 121.223 -0.009 0.000 2.322 132 L HA 0.556 4.896 4.340 0.000 0.000 0.279 132 L C -0.332 176.518 176.870 -0.033 0.000 1.036 132 L CA -1.273 53.554 54.840 -0.021 0.000 0.807 132 L CB 1.388 43.439 42.059 -0.013 0.000 1.226 132 L HN 0.360 nan 8.230 nan 0.000 0.433 133 L N 2.857 124.045 121.223 -0.057 0.000 2.307 133 L HA 0.791 5.131 4.340 0.000 0.000 0.282 133 L C -0.237 176.562 176.870 -0.118 0.000 1.051 133 L CA 0.221 55.013 54.840 -0.079 0.000 0.804 133 L CB 1.291 43.306 42.059 -0.073 0.000 1.197 133 L HN 0.719 nan 8.230 nan 0.000 0.431 134 A N 4.004 126.749 122.820 -0.124 0.000 2.479 134 A HA 0.994 5.314 4.320 0.000 0.000 0.296 134 A C -1.305 176.199 177.584 -0.133 0.000 1.121 134 A CA -0.192 51.733 52.037 -0.185 0.000 0.743 134 A CB 1.635 20.551 19.000 -0.139 0.000 1.323 134 A HN 1.204 nan 8.150 nan 0.000 0.415 135 A N 0.623 123.365 122.820 -0.131 0.000 2.398 135 A HA 0.738 5.058 4.320 0.000 0.000 0.301 135 A C -1.045 176.683 177.584 0.240 0.000 1.041 135 A CA -0.271 51.794 52.037 0.046 0.000 0.711 135 A CB 0.851 19.843 19.000 -0.013 0.000 1.240 135 A HN 1.320 nan 8.150 nan 0.000 0.420 136 I N 2.502 123.288 120.570 0.359 0.000 2.689 136 I HA 0.785 4.955 4.170 0.000 0.000 0.299 136 I C -1.532 174.858 176.117 0.455 0.000 1.059 136 I CA -0.796 60.758 61.300 0.424 0.000 1.055 136 I CB 1.629 39.738 38.000 0.181 0.000 1.243 136 I HN 0.848 nan 8.210 nan 0.000 0.425 137 W N 8.484 129.979 121.300 0.326 0.000 3.274 137 W HA 0.440 5.100 4.660 0.000 0.000 0.327 137 W C -2.247 174.525 176.519 0.421 0.000 1.172 137 W CA -0.530 56.956 57.345 0.236 0.000 1.217 137 W CB 1.807 31.410 29.460 0.239 0.000 1.376 137 W HN 0.643 nan 8.180 nan 0.000 0.507 138 Q N 3.495 123.103 119.800 -0.320 0.000 2.399 138 Q HA 0.461 4.801 4.340 0.000 0.000 0.276 138 Q C -1.518 173.897 176.000 -0.976 0.000 1.098 138 Q CA -0.317 55.184 55.803 -0.503 0.000 0.827 138 Q CB 2.843 31.366 28.738 -0.359 0.000 1.386 138 Q HN 0.481 nan 8.270 nan 0.000 0.443 139 D N -0.724 119.238 120.400 -0.731 0.000 2.801 139 D HA 0.335 4.975 4.640 0.000 0.000 0.277 139 D C 0.299 176.348 176.300 -0.419 0.000 1.125 139 D CA -0.243 53.437 54.000 -0.533 0.000 1.102 139 D CB 1.662 42.266 40.800 -0.327 0.000 1.400 139 D HN 0.542 nan 8.370 nan 0.000 0.601 140 S N -0.141 115.392 115.700 -0.278 0.000 2.348 140 S HA -0.083 4.387 4.470 0.000 0.000 0.219 140 S C 1.546 176.008 174.600 -0.230 0.000 1.033 140 S CA 0.978 59.043 58.200 -0.225 0.000 0.974 140 S CB -0.055 63.058 63.200 -0.145 0.000 0.868 140 S HN 0.276 nan 8.310 nan 0.000 0.459 141 K N 1.783 122.070 120.400 -0.187 0.000 1.985 141 K HA 0.287 4.607 4.320 0.000 0.000 0.210 141 K C 1.395 177.854 176.600 -0.235 0.000 1.047 141 K CA 1.252 57.444 56.287 -0.158 0.000 0.932 141 K CB -0.768 31.679 32.500 -0.089 0.000 0.716 141 K HN 0.465 nan 8.250 nan 0.000 0.439 142 G N -1.611 107.002 108.800 -0.312 0.000 2.510 142 G HA2 0.480 4.440 3.960 0.000 0.000 0.277 142 G HA3 0.480 4.440 3.960 0.000 0.000 0.277 142 G C -1.497 173.078 174.900 -0.542 0.000 1.223 142 G CA -0.968 43.865 45.100 -0.444 0.000 0.887 142 G HN 0.007 nan 8.290 nan 0.000 0.485 143 F N 0.399 120.361 119.950 0.021 0.000 2.507 143 F HA 0.720 5.247 4.527 0.000 0.000 0.327 143 F C 0.813 176.742 175.800 0.214 0.000 1.068 143 F CA -0.319 57.734 58.000 0.088 0.000 0.965 143 F CB 2.446 41.502 39.000 0.094 0.000 1.192 143 F HN 0.623 nan 8.300 nan 0.000 0.476 144 G N 0.868 110.021 108.800 0.587 0.000 2.461 144 G HA2 0.535 4.495 3.960 0.000 0.000 0.323 144 G HA3 0.535 4.495 3.960 0.000 0.000 0.323 144 G C -2.534 172.715 174.900 0.582 0.000 1.229 144 G CA -0.535 44.913 45.100 0.579 0.000 0.941 144 G HN 0.508 nan 8.290 nan 0.000 0.477 145 Y N 0.886 121.340 120.300 0.257 0.000 2.479 145 Y HA 0.685 5.235 4.550 0.000 0.000 0.338 145 Y C -0.564 175.421 175.900 0.141 0.000 1.055 145 Y CA -0.983 57.229 58.100 0.187 0.000 1.023 145 Y CB 2.193 40.731 38.460 0.130 0.000 1.287 145 Y HN 0.910 nan 8.280 nan 0.000 0.447 146 A N 2.849 125.451 122.820 -0.364 0.000 2.475 146 A HA 0.840 5.160 4.320 0.000 0.000 0.301 146 A C -0.946 176.376 177.584 -0.438 0.000 1.059 146 A CA -0.244 51.642 52.037 -0.252 0.000 0.710 146 A CB 1.388 20.396 19.000 0.013 0.000 1.288 146 A HN 0.911 nan 8.150 nan 0.000 0.408 147 T N -0.946 113.489 114.554 -0.198 0.000 2.906 147 T HA 0.730 5.080 4.350 0.000 0.000 0.295 147 T C -1.071 173.628 174.700 -0.003 0.000 1.061 147 T CA -0.626 61.380 62.100 -0.156 0.000 1.000 147 T CB 1.401 70.189 68.868 -0.133 0.000 1.103 147 T HN 1.604 nan 8.240 nan 0.000 0.486 148 L N 1.398 122.561 121.223 -0.099 0.000 2.455 148 L HA 0.718 5.058 4.340 0.000 0.000 0.264 148 L C -1.812 174.988 176.870 -0.117 0.000 0.968 148 L CA -0.389 54.347 54.840 -0.172 0.000 0.827 148 L CB 2.319 44.113 42.059 -0.442 0.000 1.317 148 L HN 0.861 nan 8.230 nan 0.000 0.407 149 D N 3.981 124.332 120.400 -0.082 0.000 2.454 149 D HA 0.172 4.812 4.640 0.000 0.000 0.225 149 D C 0.910 177.183 176.300 -0.045 0.000 1.081 149 D CA -0.168 53.807 54.000 -0.041 0.000 0.864 149 D CB 0.929 41.727 40.800 -0.003 0.000 1.040 149 D HN 0.608 nan 8.370 nan 0.000 0.517 150 I N 3.028 123.574 120.570 -0.039 0.000 2.567 150 I HA -0.160 4.010 4.170 0.000 0.000 0.257 150 I C 1.569 177.764 176.117 0.131 0.000 1.184 150 I CA 1.202 62.507 61.300 0.009 0.000 1.451 150 I CB 0.136 38.136 38.000 0.001 0.000 1.089 150 I HN 0.407 nan 8.210 nan 0.000 0.441 151 S N -1.775 113.964 115.700 0.064 0.000 2.573 151 S HA 0.193 4.663 4.470 0.000 0.000 0.244 151 S C 1.104 175.744 174.600 0.066 0.000 0.984 151 S CA 0.241 58.473 58.200 0.053 0.000 1.001 151 S CB -0.348 62.854 63.200 0.004 0.000 0.788 151 S HN 0.493 nan 8.310 nan 0.000 0.456 152 S N -1.443 114.323 115.700 0.110 0.000 2.546 152 S HA 0.473 4.944 4.470 0.000 0.000 0.282 152 S C 1.477 176.153 174.600 0.126 0.000 1.074 152 S CA 0.563 58.824 58.200 0.101 0.000 1.254 152 S CB -0.273 62.960 63.200 0.054 0.000 1.103 152 S HN 1.548 nan 8.310 nan 0.000 0.589 153 G N 2.172 111.008 108.800 0.060 0.000 2.199 153 G HA2 -0.310 3.650 3.960 0.000 0.000 0.254 153 G HA3 -0.310 3.650 3.960 0.000 0.000 0.254 153 G C 0.062 174.942 174.900 -0.033 0.000 0.982 153 G CA 0.181 45.219 45.100 -0.103 0.000 0.632 153 G HN 0.795 nan 8.290 nan 0.000 0.529 154 R N 0.164 120.675 120.500 0.018 0.000 2.446 154 R HA 0.405 4.745 4.340 0.000 0.000 0.314 154 R C -0.956 175.407 176.300 0.105 0.000 1.003 154 R CA -0.273 55.862 56.100 0.059 0.000 1.018 154 R CB -0.211 30.125 30.300 0.060 0.000 0.945 154 R HN 0.067 nan 8.270 nan 0.000 0.419 155 F N 5.764 125.677 119.950 -0.062 0.000 2.460 155 F HA 0.493 5.020 4.527 0.000 0.000 0.341 155 F C -0.871 174.890 175.800 -0.064 0.000 1.130 155 F CA -1.202 56.758 58.000 -0.066 0.000 0.962 155 F CB 0.990 39.956 39.000 -0.057 0.000 1.171 155 F HN 0.501 nan 8.300 nan 0.000 0.436 156 R N 5.691 126.331 120.500 0.233 0.000 2.807 156 R HA 0.668 5.008 4.340 0.000 0.000 0.276 156 R C -1.447 174.839 176.300 -0.023 0.000 0.979 156 R CA -1.006 55.113 56.100 0.032 0.000 0.928 156 R CB 2.853 33.185 30.300 0.053 0.000 1.191 156 R HN 0.825 nan 8.270 nan 0.000 0.471 157 L N -0.236 120.957 121.223 -0.049 0.000 2.393 157 L HA 0.744 5.084 4.340 0.000 0.000 0.260 157 L C -0.878 176.025 176.870 0.055 0.000 1.002 157 L CA -0.308 54.520 54.840 -0.021 0.000 0.818 157 L CB 2.310 44.317 42.059 -0.088 0.000 1.369 157 L HN 0.903 nan 8.230 nan 0.000 0.412 158 S N 1.468 117.245 115.700 0.128 0.000 2.643 158 S HA 0.540 5.010 4.470 0.000 0.000 0.270 158 S C -1.312 173.410 174.600 0.203 0.000 1.166 158 S CA -0.858 57.435 58.200 0.155 0.000 0.815 158 S CB 1.906 65.213 63.200 0.177 0.000 1.139 158 S HN 0.766 nan 8.310 nan 0.000 0.472 159 E N 0.965 121.271 120.200 0.175 0.000 3.386 159 E HA 0.311 4.661 4.350 0.000 0.000 0.236 159 E C -2.902 173.805 176.600 0.178 0.000 1.227 159 E CA -1.595 54.924 56.400 0.198 0.000 0.970 159 E CB 1.018 30.812 29.700 0.158 0.000 1.343 159 E HN 0.381 nan 8.360 nan 0.000 0.397 160 P HA -0.100 nan 4.420 nan 0.000 0.261 160 P C 0.607 178.036 177.300 0.214 0.000 1.173 160 P CA 0.297 63.487 63.100 0.149 0.000 0.760 160 P CB 0.935 32.679 31.700 0.074 0.000 0.783 161 A N 3.783 126.689 122.820 0.142 0.000 1.933 161 A HA -0.086 4.234 4.320 0.000 0.000 0.218 161 A C 0.886 178.561 177.584 0.150 0.000 1.175 161 A CA 1.599 53.706 52.037 0.117 0.000 0.628 161 A CB -0.506 18.540 19.000 0.075 0.000 0.814 161 A HN 0.679 nan 8.150 nan 0.000 0.444 162 D N -3.739 116.786 120.400 0.208 0.000 2.744 162 D HA 0.193 4.833 4.640 0.000 0.000 0.304 162 D C 0.727 177.224 176.300 0.329 0.000 1.179 162 D CA -0.673 53.473 54.000 0.243 0.000 1.024 162 D CB 0.595 41.472 40.800 0.127 0.000 1.453 162 D HN -0.023 nan 8.370 nan 0.000 0.529 163 R N -0.132 120.548 120.500 0.301 0.000 2.070 163 R HA -0.132 4.208 4.340 0.000 0.000 0.233 163 R C 1.583 177.876 176.300 -0.012 0.000 1.137 163 R CA 1.575 57.762 56.100 0.145 0.000 0.945 163 R CB -0.043 30.332 30.300 0.124 0.000 0.845 163 R HN 0.449 nan 8.270 nan 0.000 0.430 164 E N 0.219 120.440 120.200 0.034 0.000 2.110 164 E HA -0.078 4.272 4.350 0.000 0.000 0.193 164 E C 0.896 177.483 176.600 -0.023 0.000 0.988 164 E CA 0.919 57.327 56.400 0.013 0.000 0.804 164 E CB -0.395 29.345 29.700 0.066 0.000 0.745 164 E HN 0.337 nan 8.360 nan 0.000 0.458 168 A N 0.254 122.999 122.820 -0.125 0.000 1.933 168 A HA -0.071 4.249 4.320 0.000 0.000 0.218 168 A C 1.757 179.271 177.584 -0.117 0.000 1.175 168 A CA 1.962 53.939 52.037 -0.099 0.000 0.628 168 A CB -0.454 18.497 19.000 -0.083 0.000 0.814 168 A HN 0.449 nan 8.150 nan 0.000 0.444 169 E N -0.001 120.100 120.200 -0.165 0.000 2.051 169 E HA -0.155 4.195 4.350 0.000 0.000 0.192 169 E C 2.077 178.555 176.600 -0.203 0.000 0.991 169 E CA 0.996 57.288 56.400 -0.180 0.000 0.799 169 E CB -0.410 29.119 29.700 -0.285 0.000 0.748 169 E HN 0.670 nan 8.360 nan 0.000 0.449 170 L N 0.578 121.624 121.223 -0.295 0.000 2.042 170 L HA -0.253 4.087 4.340 0.000 0.000 0.210 170 L C 2.839 179.647 176.870 -0.103 0.000 1.076 170 L CA 1.489 56.207 54.840 -0.202 0.000 0.749 170 L CB -0.335 41.595 42.059 -0.215 0.000 0.893 170 L HN 0.182 nan 8.230 nan 0.000 0.432 171 Q N 0.087 119.821 119.800 -0.110 0.000 2.124 171 Q HA -0.254 4.086 4.340 0.000 0.000 0.202 171 Q C 2.317 178.240 176.000 -0.128 0.000 0.977 171 Q CA 1.611 57.359 55.803 -0.092 0.000 0.850 171 Q CB -0.014 28.680 28.738 -0.074 0.000 0.901 171 Q HN 0.305 nan 8.270 nan 0.000 0.429 172 R N -0.413 120.011 120.500 -0.128 0.000 2.075 172 R HA -0.099 4.241 4.340 0.000 0.000 0.232 172 R C 2.052 178.255 176.300 -0.162 0.000 1.126 172 R CA 1.932 57.916 56.100 -0.192 0.000 0.963 172 R CB -0.311 29.943 30.300 -0.076 0.000 0.858 172 R HN 0.444 nan 8.270 nan 0.000 0.435 173 T N -1.940 112.594 114.554 -0.034 0.000 3.054 173 T HA -0.039 4.311 4.350 0.000 0.000 0.259 173 T C 0.742 175.448 174.700 0.010 0.000 1.092 173 T CA 0.456 62.574 62.100 0.031 0.000 1.121 173 T CB -0.358 68.612 68.868 0.171 0.000 0.912 173 T HN 0.422 nan 8.240 nan 0.000 0.489 174 N N 2.598 121.289 118.700 -0.014 0.000 2.689 174 N HA -0.102 4.638 4.740 0.000 0.000 0.263 174 N C -2.443 173.071 175.510 0.006 0.000 0.987 174 N CA 0.363 53.402 53.050 -0.018 0.000 0.782 174 N CB -0.835 37.624 38.487 -0.047 0.000 0.903 174 N HN 0.400 nan 8.380 nan 0.000 0.547 175 P HA 0.080 nan 4.420 nan 0.000 0.267 175 P C 0.230 177.533 177.300 0.004 0.000 1.200 175 P CA 0.233 63.348 63.100 0.024 0.000 0.772 175 P CB 0.833 32.562 31.700 0.050 0.000 0.855 176 A N 1.938 124.755 122.820 -0.004 0.000 2.178 176 A HA 0.045 4.365 4.320 0.000 0.000 0.211 176 A C 0.825 178.404 177.584 -0.007 0.000 1.157 176 A CA 0.679 52.713 52.037 -0.005 0.000 0.780 176 A CB -0.351 18.646 19.000 -0.004 0.000 0.828 176 A HN 0.685 nan 8.150 nan 0.000 0.476 177 E N -0.463 119.726 120.200 -0.018 0.000 2.311 177 E HA 0.490 4.840 4.350 0.000 0.000 0.281 177 E C -2.019 174.544 176.600 -0.062 0.000 0.905 177 E CA -0.458 55.920 56.400 -0.037 0.000 0.778 177 E CB 1.204 30.883 29.700 -0.036 0.000 1.240 177 E HN 0.162 nan 8.360 nan 0.000 0.410 178 L N 6.674 127.869 121.223 -0.048 0.000 2.343 178 L HA 0.487 4.827 4.340 0.000 0.000 0.278 178 L C -1.244 175.613 176.870 -0.022 0.000 0.996 178 L CA -0.829 53.998 54.840 -0.021 0.000 0.831 178 L CB 0.947 43.013 42.059 0.013 0.000 1.232 178 L HN 0.630 nan 8.230 nan 0.000 0.413 179 L N 5.981 127.161 121.223 -0.071 0.000 2.276 179 L HA 0.373 4.713 4.340 0.000 0.000 0.286 179 L C -0.779 176.179 176.870 0.147 0.000 1.061 179 L CA -0.613 54.185 54.840 -0.070 0.000 0.807 179 L CB 0.735 42.657 42.059 -0.228 0.000 1.177 179 L HN 0.490 nan 8.230 nan 0.000 0.429 180 Y N 1.844 122.144 120.300 -0.000 0.000 2.512 180 Y HA 0.816 5.366 4.550 0.000 0.000 0.348 180 Y C -0.316 175.556 175.900 -0.046 0.000 0.990 180 Y CA -1.469 56.583 58.100 -0.080 0.000 1.033 180 Y CB 1.274 39.513 38.460 -0.368 0.000 1.259 180 Y HN 0.575 nan 8.280 nan 0.000 0.461 181 A N 3.057 125.726 122.820 -0.251 0.000 2.440 181 A HA 0.212 4.532 4.320 0.000 0.000 0.251 181 A C 1.136 178.651 177.584 -0.115 0.000 1.089 181 A CA -0.016 51.787 52.037 -0.390 0.000 0.779 181 A CB -0.042 18.590 19.000 -0.614 0.000 1.022 181 A HN 1.029 nan 8.150 nan 0.000 0.492 182 E N 1.803 121.922 120.200 -0.135 0.000 2.219 182 E HA -0.257 4.093 4.350 0.000 0.000 0.198 182 E C 0.308 176.961 176.600 0.088 0.000 0.998 182 E CA 1.481 57.861 56.400 -0.033 0.000 0.818 182 E CB -0.197 29.483 29.700 -0.033 0.000 0.741 182 E HN 0.734 nan 8.360 nan 0.000 0.477 183 D N 0.359 120.800 120.400 0.068 0.000 2.336 183 D HA -0.054 4.586 4.640 0.000 0.000 0.228 183 D C -0.218 176.121 176.300 0.065 0.000 1.120 183 D CA -0.627 53.403 54.000 0.050 0.000 0.839 183 D CB -0.652 40.145 40.800 -0.004 0.000 0.932 183 D HN 0.084 nan 8.370 nan 0.000 0.509 184 F N 1.533 121.492 119.950 0.014 0.000 2.578 184 F HA 0.297 4.825 4.527 0.000 0.000 0.381 184 F C 1.374 177.171 175.800 -0.005 0.000 1.069 184 F CA -0.196 57.812 58.000 0.014 0.000 1.231 184 F CB 1.192 40.286 39.000 0.155 0.000 1.086 184 F HN 0.046 nan 8.300 nan 0.000 0.564 185 A N 4.540 127.036 122.820 -0.541 0.000 1.901 185 A HA 0.100 4.420 4.320 0.000 0.000 0.210 185 A C 1.107 178.469 177.584 -0.369 0.000 1.208 185 A CA 0.306 52.123 52.037 -0.368 0.000 0.644 185 A CB -0.296 18.509 19.000 -0.326 0.000 0.863 185 A HN 0.654 nan 8.150 nan 0.000 0.454 189 L N 0.457 121.685 121.223 0.008 0.000 2.275 189 L HA 0.255 4.595 4.340 0.000 0.000 0.215 189 L C 1.803 178.645 176.870 -0.046 0.000 1.119 189 L CA 1.190 56.017 54.840 -0.023 0.000 0.790 189 L CB -0.241 41.804 42.059 -0.023 0.000 0.919 189 L HN 0.328 nan 8.230 nan 0.000 0.443 190 I N -2.414 118.130 120.570 -0.043 0.000 4.124 190 I HA 0.065 4.235 4.170 0.000 0.000 0.311 190 I C 0.998 177.034 176.117 -0.136 0.000 1.259 190 I CA 0.186 61.404 61.300 -0.137 0.000 1.315 190 I CB 0.385 38.208 38.000 -0.294 0.000 1.223 190 I HN -0.071 nan 8.210 nan 0.000 0.441 191 E N 0.918 121.058 120.200 -0.100 0.000 2.392 191 E HA 0.338 4.688 4.350 0.000 0.000 0.264 191 E C 1.150 177.723 176.600 -0.044 0.000 1.024 191 E CA 0.927 57.284 56.400 -0.072 0.000 0.903 191 E CB 0.438 30.113 29.700 -0.043 0.000 0.963 191 E HN 0.391 nan 8.360 nan 0.000 0.432 192 G N 3.529 112.310 108.800 -0.031 0.000 2.194 192 G HA2 -0.261 3.699 3.960 0.000 0.000 0.236 192 G HA3 -0.261 3.699 3.960 0.000 0.000 0.236 192 G C 0.427 175.314 174.900 -0.022 0.000 0.987 192 G CA 0.004 45.092 45.100 -0.020 0.000 0.635 192 G HN 0.430 nan 8.290 nan 0.000 0.520 193 R N 0.994 121.473 120.500 -0.035 0.000 2.531 193 R HA 0.465 4.806 4.340 0.000 0.000 0.273 193 R C 1.162 177.453 176.300 -0.016 0.000 1.070 193 R CA -0.309 55.773 56.100 -0.030 0.000 1.112 193 R CB 0.577 30.849 30.300 -0.046 0.000 1.049 193 R HN 0.627 nan 8.270 nan 0.000 0.508 194 R N -0.271 120.223 120.500 -0.009 0.000 2.615 194 R HA 0.249 4.589 4.340 0.000 0.000 0.270 194 R C 0.416 176.718 176.300 0.002 0.000 1.081 194 R CA 0.148 56.248 56.100 -0.001 0.000 1.154 194 R CB 0.167 30.467 30.300 -0.001 0.000 1.063 194 R HN 0.759 nan 8.270 nan 0.000 0.519 195 G N 0.999 109.805 108.800 0.010 0.000 2.356 195 G HA2 -0.266 3.694 3.960 0.000 0.000 0.296 195 G HA3 -0.266 3.694 3.960 0.000 0.000 0.296 195 G C -0.334 174.575 174.900 0.014 0.000 1.022 195 G CA 0.210 45.317 45.100 0.012 0.000 0.961 195 G HN 0.447 nan 8.290 nan 0.000 0.510 196 L N 0.260 121.503 121.223 0.034 0.000 2.380 196 L HA 0.586 4.926 4.340 0.000 0.000 0.273 196 L C 0.575 177.504 176.870 0.099 0.000 1.138 196 L CA -0.161 54.725 54.840 0.077 0.000 0.832 196 L CB 0.633 42.741 42.059 0.081 0.000 1.124 196 L HN 0.266 nan 8.230 nan 0.000 0.454 197 R N 4.922 125.485 120.500 0.105 0.000 2.545 197 R HA 0.265 4.606 4.340 0.000 0.000 0.289 197 R C -0.643 175.564 176.300 -0.155 0.000 1.327 197 R CA -0.656 55.439 56.100 -0.008 0.000 1.040 197 R CB 1.004 31.240 30.300 -0.108 0.000 1.176 197 R HN 0.620 nan 8.270 nan 0.000 0.518 198 R N 2.575 122.914 120.500 -0.268 0.000 2.489 198 R HA 0.131 4.471 4.340 0.000 0.000 0.287 198 R C -0.426 175.643 176.300 -0.385 0.000 1.053 198 R CA 0.101 55.770 56.100 -0.718 0.000 1.036 198 R CB 0.548 30.593 30.300 -0.425 0.000 0.966 198 R HN 0.282 nan 8.270 nan 0.000 0.432 199 R N 4.583 124.858 120.500 -0.375 0.000 2.740 199 R HA 0.443 4.783 4.340 0.000 0.000 0.282 199 R C -2.563 173.641 176.300 -0.161 0.000 0.969 199 R CA -2.862 53.132 56.100 -0.177 0.000 0.918 199 R CB 1.229 31.514 30.300 -0.025 0.000 1.175 199 R HN 0.536 nan 8.270 nan 0.000 0.464 200 P HA 0.145 nan 4.420 nan 0.000 0.271 200 P C 1.039 178.201 177.300 -0.230 0.000 1.218 200 P CA -0.311 62.634 63.100 -0.258 0.000 0.780 200 P CB 0.703 32.128 31.700 -0.458 0.000 0.901 201 L N 2.059 123.264 121.223 -0.030 0.000 2.137 201 L HA -0.173 4.167 4.340 0.000 0.000 0.213 201 L C 1.996 178.970 176.870 0.173 0.000 1.085 201 L CA 1.578 56.492 54.840 0.123 0.000 0.760 201 L CB -0.497 41.666 42.059 0.174 0.000 0.893 201 L HN 0.633 nan 8.230 nan 0.000 0.434 202 W N -0.432 120.958 121.300 0.150 0.000 2.595 202 W HA -0.080 4.580 4.660 0.000 0.000 0.257 202 W C 1.391 177.946 176.519 0.059 0.000 1.267 202 W CA 0.215 57.614 57.345 0.091 0.000 1.300 202 W CB -0.782 28.707 29.460 0.049 0.000 1.120 202 W HN 0.228 nan 8.180 nan 0.000 0.618 203 E N 0.294 120.287 120.200 -0.344 0.000 2.418 203 E HA -0.099 4.251 4.350 0.000 0.000 0.197 203 E C 0.661 177.037 176.600 -0.374 0.000 1.026 203 E CA 0.823 56.982 56.400 -0.400 0.000 0.862 203 E CB -0.333 28.965 29.700 -0.670 0.000 0.799 203 E HN 0.246 nan 8.360 nan 0.000 0.518 204 F N 0.650 120.460 119.950 -0.234 0.000 2.639 204 F HA 0.148 4.675 4.527 0.000 0.000 0.302 204 F C 0.673 176.220 175.800 -0.421 0.000 1.097 204 F CA -0.405 57.343 58.000 -0.420 0.000 1.294 204 F CB 0.329 38.918 39.000 -0.685 0.000 1.027 204 F HN -0.166 nan 8.300 nan 0.000 0.550 205 E N 1.182 121.353 120.200 -0.047 0.000 2.366 205 E HA 0.024 4.374 4.350 0.000 0.000 0.266 205 E C 1.291 177.856 176.600 -0.059 0.000 1.015 205 E CA 0.052 56.443 56.400 -0.015 0.000 0.906 205 E CB 0.533 30.283 29.700 0.083 0.000 0.979 205 E HN 0.241 nan 8.360 nan 0.000 0.443 206 I N 4.268 124.807 120.570 -0.053 0.000 2.226 206 I HA -0.227 3.943 4.170 0.000 0.000 0.245 206 I C 0.984 177.087 176.117 -0.023 0.000 1.100 206 I CA 1.613 62.885 61.300 -0.047 0.000 1.374 206 I CB -0.230 37.762 38.000 -0.013 0.000 1.057 206 I HN 0.658 nan 8.210 nan 0.000 0.413 207 D N -0.219 120.180 120.400 -0.003 0.000 2.117 207 D HA -0.154 4.486 4.640 0.000 0.000 0.197 207 D C 2.156 178.452 176.300 -0.006 0.000 0.987 207 D CA 1.985 55.986 54.000 0.001 0.000 0.829 207 D CB -0.420 40.386 40.800 0.009 0.000 0.961 207 D HN 0.355 nan 8.370 nan 0.000 0.460 208 T N 0.805 115.357 114.554 -0.004 0.000 2.821 208 T HA -0.051 4.299 4.350 0.000 0.000 0.267 208 T C 2.036 176.716 174.700 -0.034 0.000 1.046 208 T CA 1.230 63.325 62.100 -0.007 0.000 1.139 208 T CB -0.183 68.699 68.868 0.024 0.000 0.871 208 T HN 0.178 nan 8.240 nan 0.000 0.454 209 A N 2.171 124.959 122.820 -0.054 0.000 1.858 209 A HA -0.141 4.179 4.320 0.000 0.000 0.216 209 A C 2.394 179.941 177.584 -0.063 0.000 1.190 209 A CA 1.482 53.472 52.037 -0.079 0.000 0.617 209 A CB -0.563 18.375 19.000 -0.103 0.000 0.827 209 A HN 0.400 nan 8.150 nan 0.000 0.443 210 R N -0.957 119.520 120.500 -0.038 0.000 2.096 210 R HA -0.185 4.155 4.340 0.000 0.000 0.240 210 R C 2.591 178.877 176.300 -0.022 0.000 1.139 210 R CA 1.578 57.668 56.100 -0.016 0.000 0.952 210 R CB -0.374 29.928 30.300 0.003 0.000 0.854 210 R HN 0.677 nan 8.270 nan 0.000 0.436 211 Q N 0.562 120.347 119.800 -0.025 0.000 2.050 211 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 211 Q C 1.984 177.952 176.000 -0.052 0.000 0.980 211 Q CA 1.538 57.325 55.803 -0.026 0.000 0.840 211 Q CB 0.139 28.865 28.738 -0.020 0.000 0.898 211 Q HN 0.365 nan 8.270 nan 0.000 0.424 212 Q N 0.179 119.936 119.800 -0.071 0.000 2.079 212 Q HA -0.059 4.281 4.340 0.000 0.000 0.200 212 Q C 2.399 178.281 176.000 -0.196 0.000 0.974 212 Q CA 0.864 56.602 55.803 -0.107 0.000 0.840 212 Q CB -0.256 28.426 28.738 -0.093 0.000 0.898 212 Q HN 0.392 nan 8.270 nan 0.000 0.430 213 L N 0.962 122.052 121.223 -0.221 0.000 2.056 213 L HA -0.185 4.156 4.340 0.000 0.000 0.207 213 L C 2.146 178.761 176.870 -0.425 0.000 1.078 213 L CA 0.917 55.482 54.840 -0.458 0.000 0.749 213 L CB -0.545 41.350 42.059 -0.273 0.000 0.901 213 L HN 0.192 nan 8.230 nan 0.000 0.433 214 N N 0.156 118.796 118.700 -0.100 0.000 2.104 214 N HA -0.205 4.535 4.740 0.000 0.000 0.190 214 N C 1.865 177.380 175.510 0.009 0.000 1.024 214 N CA 1.364 54.442 53.050 0.047 0.000 0.853 214 N CB -0.311 38.214 38.487 0.064 0.000 1.008 214 N HN 0.171 nan 8.380 nan 0.000 0.424 215 L N 1.838 123.027 121.223 -0.058 0.000 2.017 215 L HA -0.190 4.150 4.340 0.000 0.000 0.208 215 L C 2.466 179.292 176.870 -0.073 0.000 1.073 215 L CA 1.762 56.573 54.840 -0.047 0.000 0.745 215 L CB -0.861 41.163 42.059 -0.058 0.000 0.894 215 L HN 0.074 nan 8.230 nan 0.000 0.432 216 Q N -0.956 118.718 119.800 -0.209 0.000 2.124 216 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 216 Q C 1.754 177.712 176.000 -0.069 0.000 0.977 216 Q CA 2.081 57.739 55.803 -0.241 0.000 0.850 216 Q CB -0.343 28.099 28.738 -0.494 0.000 0.901 216 Q HN 0.526 nan 8.270 nan 0.000 0.429 217 F N -1.088 118.889 119.950 0.045 0.000 2.664 217 F HA 0.370 4.897 4.527 0.000 0.000 0.296 217 F C 1.647 177.523 175.800 0.127 0.000 1.125 217 F CA 0.442 58.497 58.000 0.093 0.000 1.444 217 F CB -0.270 38.811 39.000 0.134 0.000 1.114 217 F HN 0.210 nan 8.300 nan 0.000 0.576 218 G N 1.238 110.176 108.800 0.230 0.000 2.160 218 G HA2 -0.228 3.732 3.960 0.000 0.000 0.244 218 G HA3 -0.228 3.732 3.960 0.000 0.000 0.244 218 G C 0.248 175.241 174.900 0.155 0.000 1.022 218 G CA 0.417 45.610 45.100 0.155 0.000 0.741 218 G HN 0.553 nan 8.290 nan 0.000 0.508 219 T N -3.782 110.887 114.554 0.192 0.000 2.927 219 T HA 0.762 5.112 4.350 0.000 0.000 0.286 219 T C 1.146 175.910 174.700 0.105 0.000 1.040 219 T CA -0.482 61.708 62.100 0.151 0.000 1.010 219 T CB 1.783 70.785 68.868 0.223 0.000 1.177 219 T HN 0.126 nan 8.240 nan 0.000 0.546 220 R N 0.242 120.783 120.500 0.069 0.000 2.206 220 R HA 0.259 4.599 4.340 0.000 0.000 0.198 220 R C -0.315 176.018 176.300 0.055 0.000 0.986 220 R CA 0.515 56.645 56.100 0.049 0.000 1.029 220 R CB -0.027 30.289 30.300 0.027 0.000 0.966 220 R HN 0.865 nan 8.270 nan 0.000 0.487 221 D N -1.561 118.876 120.400 0.063 0.000 2.626 221 D HA 0.160 4.800 4.640 0.000 0.000 0.278 221 D C 0.000 176.369 176.300 0.115 0.000 1.211 221 D CA -0.779 53.264 54.000 0.072 0.000 0.903 221 D CB 0.675 41.497 40.800 0.036 0.000 1.408 221 D HN -0.171 nan 8.370 nan 0.000 0.454 222 L N 0.850 122.156 121.223 0.138 0.000 2.741 222 L HA 0.227 4.567 4.340 0.000 0.000 0.237 222 L C 1.456 178.388 176.870 0.103 0.000 1.178 222 L CA -0.301 54.686 54.840 0.246 0.000 0.973 222 L CB 0.261 42.490 42.059 0.283 0.000 1.255 222 L HN 0.310 nan 8.230 nan 0.000 0.498 223 V N 1.054 120.973 119.914 0.007 0.000 2.282 223 V HA -0.270 3.850 4.120 0.000 0.000 0.249 223 V C 2.572 178.604 176.094 -0.104 0.000 1.057 223 V CA 2.439 64.719 62.300 -0.033 0.000 1.032 223 V CB -0.874 30.926 31.823 -0.040 0.000 0.645 223 V HN 0.657 nan 8.190 nan 0.000 0.447 224 G N -1.249 107.402 108.800 -0.247 0.000 2.470 224 G HA2 -0.205 3.755 3.960 0.000 0.000 0.220 224 G HA3 -0.205 3.755 3.960 0.000 0.000 0.220 224 G C 1.189 175.829 174.900 -0.433 0.000 1.121 224 G CA 0.492 45.361 45.100 -0.385 0.000 0.766 224 G HN 0.531 nan 8.290 nan 0.000 0.553 225 F N 0.304 120.212 119.950 -0.070 0.000 2.776 225 F HA 0.328 4.855 4.527 0.000 0.000 0.300 225 F C 1.997 177.750 175.800 -0.078 0.000 1.116 225 F CA -0.205 57.731 58.000 -0.106 0.000 1.375 225 F CB 0.049 38.949 39.000 -0.165 0.000 1.109 225 F HN 0.199 nan 8.300 nan 0.000 0.585 226 G N 0.874 109.716 108.800 0.070 0.000 2.176 226 G HA2 -0.235 3.725 3.960 0.000 0.000 0.252 226 G HA3 -0.235 3.725 3.960 0.000 0.000 0.252 226 G C 0.646 175.576 174.900 0.051 0.000 1.024 226 G CA 0.561 45.685 45.100 0.040 0.000 0.755 226 G HN 0.688 nan 8.290 nan 0.000 0.507 227 V N -3.505 116.454 119.914 0.076 0.000 3.398 227 V HA 0.561 4.681 4.120 0.000 0.000 0.298 227 V C 1.602 177.728 176.094 0.055 0.000 1.496 227 V CA 1.267 63.598 62.300 0.052 0.000 1.044 227 V CB 0.877 32.717 31.823 0.028 0.000 0.880 227 V HN 0.232 nan 8.190 nan 0.000 0.443 228 E N 2.190 122.427 120.200 0.061 0.000 2.267 228 E HA -0.197 4.153 4.350 0.000 0.000 0.197 228 E C 1.795 178.419 176.600 0.039 0.000 0.998 228 E CA 1.779 58.211 56.400 0.052 0.000 0.830 228 E CB -0.257 29.469 29.700 0.042 0.000 0.751 228 E HN 0.638 nan 8.360 nan 0.000 0.491 229 N N -0.447 118.274 118.700 0.036 0.000 2.463 229 N HA 0.059 4.799 4.740 0.000 0.000 0.181 229 N C -0.604 174.931 175.510 0.040 0.000 1.078 229 N CA 0.912 53.982 53.050 0.033 0.000 0.902 229 N CB 0.467 38.970 38.487 0.027 0.000 0.970 229 N HN 0.162 nan 8.380 nan 0.000 0.451 230 A N 0.885 123.732 122.820 0.044 0.000 3.165 230 A HA 0.350 4.670 4.320 0.000 0.000 0.331 230 A C -1.554 176.068 177.584 0.063 0.000 1.034 230 A CA -1.073 50.998 52.037 0.057 0.000 0.906 230 A CB 0.640 19.672 19.000 0.054 0.000 1.054 230 A HN -0.035 nan 8.150 nan 0.000 0.484 231 P HA -0.218 nan 4.420 nan 0.000 0.218 231 P C 1.471 178.827 177.300 0.094 0.000 1.148 231 P CA 0.900 64.037 63.100 0.062 0.000 0.822 231 P CB 0.210 31.951 31.700 0.069 0.000 0.784 232 R N -0.039 120.561 120.500 0.166 0.000 2.091 232 R HA -0.088 4.252 4.340 0.000 0.000 0.238 232 R C 2.597 179.055 176.300 0.263 0.000 1.136 232 R CA 1.962 58.243 56.100 0.301 0.000 0.959 232 R CB -1.061 29.420 30.300 0.302 0.000 0.856 232 R HN 0.201 nan 8.270 nan 0.000 0.437 233 G N 0.288 109.194 108.800 0.177 0.000 2.403 233 G HA2 -0.172 3.789 3.960 0.000 0.000 0.216 233 G HA3 -0.172 3.789 3.960 0.000 0.000 0.216 233 G C 1.430 176.357 174.900 0.044 0.000 1.154 233 G CA 0.163 45.346 45.100 0.139 0.000 0.784 233 G HN 0.189 nan 8.290 nan 0.000 0.538 234 L N 0.241 121.467 121.223 0.006 0.000 2.127 234 L HA -0.135 4.205 4.340 0.000 0.000 0.211 234 L C 2.942 179.752 176.870 -0.100 0.000 1.089 234 L CA 0.636 55.448 54.840 -0.048 0.000 0.757 234 L CB -0.501 41.539 42.059 -0.031 0.000 0.899 234 L HN 0.250 nan 8.230 nan 0.000 0.434 235 C N -0.404 118.806 119.300 -0.151 0.000 2.429 235 C HA -0.120 4.340 4.460 0.000 0.000 0.277 235 C C 3.123 177.952 174.990 -0.269 0.000 1.262 235 C CA 0.746 59.576 59.018 -0.313 0.000 1.733 235 C CB -1.010 26.307 27.740 -0.705 0.000 2.010 235 C HN 0.621 nan 8.230 nan 0.000 0.483 236 A N 0.458 123.233 122.820 -0.075 0.000 1.897 236 A HA 0.163 4.483 4.320 0.000 0.000 0.215 236 A C 2.363 179.899 177.584 -0.079 0.000 1.181 236 A CA 1.800 53.857 52.037 0.034 0.000 0.620 236 A CB -0.875 18.271 19.000 0.243 0.000 0.821 236 A HN 0.540 nan 8.150 nan 0.000 0.443 237 A N -0.339 122.460 122.820 -0.036 0.000 1.933 237 A HA 0.104 4.424 4.320 0.000 0.000 0.218 237 A C 2.362 179.957 177.584 0.019 0.000 1.175 237 A CA 1.960 54.021 52.037 0.040 0.000 0.628 237 A CB -1.309 17.631 19.000 -0.100 0.000 0.814 237 A HN 0.680 nan 8.150 nan 0.000 0.444 238 G N -1.020 107.712 108.800 -0.114 0.000 2.404 238 G HA2 -0.301 3.660 3.960 0.000 0.000 0.215 238 G HA3 -0.301 3.660 3.960 0.000 0.000 0.215 238 G C 1.821 176.579 174.900 -0.236 0.000 1.174 238 G CA 1.266 46.275 45.100 -0.151 0.000 0.780 238 G HN 0.658 nan 8.290 nan 0.000 0.537 239 C N -0.071 118.957 119.300 -0.453 0.000 2.401 239 C HA -0.044 4.416 4.460 0.000 0.000 0.276 239 C C 2.714 177.513 174.990 -0.318 0.000 1.233 239 C CA 1.158 59.809 59.018 -0.612 0.000 1.753 239 C CB -1.015 25.893 27.740 -1.386 0.000 2.029 239 C HN 0.327 nan 8.230 nan 0.000 0.478 240 L N 0.710 121.797 121.223 -0.226 0.000 1.994 240 L HA -0.024 4.316 4.340 0.000 0.000 0.208 240 L C 2.352 179.168 176.870 -0.091 0.000 1.071 240 L CA 2.203 56.965 54.840 -0.130 0.000 0.745 240 L CB -1.274 40.739 42.059 -0.077 0.000 0.892 240 L HN 0.470 nan 8.230 nan 0.000 0.431 241 L N -0.773 120.404 121.223 -0.077 0.000 2.083 241 L HA -0.242 4.099 4.340 0.000 0.000 0.209 241 L C 2.439 179.256 176.870 -0.088 0.000 1.083 241 L CA 1.704 56.478 54.840 -0.110 0.000 0.752 241 L CB -0.621 41.409 42.059 -0.048 0.000 0.899 241 L HN 0.420 nan 8.230 nan 0.000 0.433 242 Q N -1.904 117.852 119.800 -0.074 0.000 2.124 242 Q HA -0.254 4.086 4.340 0.000 0.000 0.202 242 Q C 2.121 178.106 176.000 -0.025 0.000 0.977 242 Q CA 2.054 57.826 55.803 -0.052 0.000 0.850 242 Q CB -0.396 28.310 28.738 -0.053 0.000 0.901 242 Q HN 0.626 nan 8.270 nan 0.000 0.429 243 Y N 0.753 120.967 120.300 -0.144 0.000 2.114 243 Y HA -0.261 4.289 4.550 0.000 0.000 0.284 243 Y C 2.263 178.098 175.900 -0.108 0.000 1.143 243 Y CA 1.460 59.487 58.100 -0.122 0.000 1.135 243 Y CB -0.436 37.941 38.460 -0.138 0.000 0.980 243 Y HN 0.103 nan 8.280 nan 0.000 0.499 244 A N 0.240 123.062 122.820 0.004 0.000 1.908 244 A HA -0.253 4.067 4.320 0.000 0.000 0.218 244 A C 2.168 179.680 177.584 -0.119 0.000 1.181 244 A CA 2.265 54.253 52.037 -0.081 0.000 0.627 244 A CB -0.598 18.323 19.000 -0.131 0.000 0.818 244 A HN 0.542 nan 8.150 nan 0.000 0.445 245 K N -0.788 119.548 120.400 -0.107 0.000 2.097 245 K HA -0.141 4.179 4.320 0.000 0.000 0.205 245 K C 1.784 178.325 176.600 -0.099 0.000 1.050 245 K CA 1.334 57.567 56.287 -0.090 0.000 0.938 245 K CB -0.206 32.250 32.500 -0.074 0.000 0.718 245 K HN 0.505 nan 8.250 nan 0.000 0.442 246 D N 0.334 120.655 120.400 -0.132 0.000 2.178 246 D HA -0.131 4.509 4.640 0.000 0.000 0.201 246 D C 1.842 178.034 176.300 -0.180 0.000 0.980 246 D CA 1.668 55.583 54.000 -0.142 0.000 0.842 246 D CB 0.087 40.788 40.800 -0.165 0.000 0.948 246 D HN 0.286 nan 8.370 nan 0.000 0.472 247 T N -2.926 111.470 114.554 -0.263 0.000 3.014 247 T HA -0.033 4.317 4.350 0.000 0.000 0.263 247 T C 1.697 176.316 174.700 -0.136 0.000 1.078 247 T CA 0.506 62.463 62.100 -0.238 0.000 1.135 247 T CB 0.005 68.690 68.868 -0.305 0.000 0.895 247 T HN -0.003 nan 8.240 nan 0.000 0.480 248 Q N 0.987 120.724 119.800 -0.105 0.000 2.259 248 Q HA 0.276 4.616 4.340 0.000 0.000 0.201 248 Q C 0.796 176.766 176.000 -0.049 0.000 0.938 248 Q CA 0.267 56.030 55.803 -0.067 0.000 0.872 248 Q CB -0.126 28.584 28.738 -0.047 0.000 0.971 248 Q HN 0.618 nan 8.270 nan 0.000 0.494 249 R N 1.199 121.670 120.500 -0.049 0.000 3.416 249 R HA -0.147 4.193 4.340 0.000 0.000 0.263 249 R C -0.245 176.044 176.300 -0.019 0.000 1.053 249 R CA 0.957 57.039 56.100 -0.030 0.000 0.705 249 R CB -2.494 27.794 30.300 -0.021 0.000 1.124 249 R HN 0.502 nan 8.270 nan 0.000 0.444 250 T N -5.170 109.372 114.554 -0.020 0.000 2.681 250 T HA 0.479 4.830 4.350 0.000 0.000 0.296 250 T C 0.223 174.918 174.700 -0.009 0.000 1.157 250 T CA -0.420 61.673 62.100 -0.011 0.000 1.025 250 T CB 1.759 70.618 68.868 -0.015 0.000 1.441 250 T HN 0.134 nan 8.240 nan 0.000 0.504 251 T N 0.152 114.705 114.554 -0.001 0.000 2.904 251 T HA 0.584 4.934 4.350 0.000 0.000 0.290 251 T C 0.114 174.833 174.700 0.032 0.000 1.018 251 T CA -0.892 61.213 62.100 0.008 0.000 1.075 251 T CB 0.039 68.915 68.868 0.014 0.000 0.986 251 T HN 0.594 nan 8.240 nan 0.000 0.523 252 L N 3.292 124.544 121.223 0.047 0.000 2.599 252 L HA 0.298 4.639 4.340 0.000 0.000 0.241 252 L C -1.539 175.420 176.870 0.148 0.000 1.207 252 L CA -1.989 52.925 54.840 0.123 0.000 0.987 252 L CB 1.070 43.134 42.059 0.008 0.000 1.318 252 L HN 0.537 nan 8.230 nan 0.000 0.458 253 P HA -0.167 nan 4.420 nan 0.000 0.226 253 P C 1.029 178.438 177.300 0.181 0.000 1.153 253 P CA 1.194 64.377 63.100 0.139 0.000 0.777 253 P CB -0.068 31.684 31.700 0.087 0.000 0.794 254 H N -0.947 118.128 119.070 0.009 0.000 2.551 254 H HA 0.185 4.741 4.556 0.000 0.000 0.266 254 H C 0.646 175.998 175.328 0.039 0.000 0.977 254 H CA -0.281 55.775 56.048 0.015 0.000 1.163 254 H CB -0.933 28.822 29.762 -0.013 0.000 1.381 254 H HN 0.163 nan 8.280 nan 0.000 0.581 255 I N 3.491 123.934 120.570 -0.211 0.000 2.316 255 I HA 0.178 4.348 4.170 0.000 0.000 0.286 255 I C 1.120 177.337 176.117 0.166 0.000 1.107 255 I CA -0.268 60.970 61.300 -0.103 0.000 1.219 255 I CB 0.482 38.364 38.000 -0.197 0.000 1.455 255 I HN 0.212 nan 8.210 nan 0.000 0.498 256 R N 2.204 122.768 120.500 0.106 0.000 2.397 256 R HA 0.355 4.695 4.340 0.000 0.000 0.241 256 R C 0.383 176.524 176.300 -0.264 0.000 0.914 256 R CA -0.161 56.001 56.100 0.104 0.000 1.071 256 R CB 0.727 31.078 30.300 0.085 0.000 1.116 256 R HN 0.380 nan 8.270 nan 0.000 0.524 257 S N -0.051 115.347 115.700 -0.504 0.000 2.588 257 S HA 0.596 5.066 4.470 0.000 0.000 0.269 257 S C -1.784 172.275 174.600 -0.902 0.000 1.157 257 S CA -0.808 56.758 58.200 -1.058 0.000 0.824 257 S CB 1.801 64.788 63.200 -0.355 0.000 1.126 257 S HN 0.270 nan 8.310 nan 0.000 0.464 258 I N 1.716 121.614 120.570 -1.121 0.000 2.722 258 I HA 0.630 4.800 4.170 0.000 0.000 0.295 258 I C -0.724 175.175 176.117 -0.363 0.000 1.161 258 I CA -0.036 60.878 61.300 -0.643 0.000 1.032 258 I CB 2.312 39.830 38.000 -0.804 0.000 1.244 258 I HN 0.691 nan 8.210 nan 0.000 0.421 262 R N 1.589 122.100 120.500 0.017 0.000 2.459 262 R HA 0.225 4.565 4.340 0.000 0.000 0.281 262 R C 0.979 177.281 176.300 0.003 0.000 1.050 262 R CA -0.375 55.733 56.100 0.013 0.000 1.055 262 R CB 0.996 31.297 30.300 0.003 0.000 1.045 262 R HN 0.527 nan 8.270 nan 0.000 0.495 263 E N 1.612 121.814 120.200 0.004 0.000 2.085 263 E HA -0.276 4.074 4.350 0.000 0.000 0.194 263 E C 1.320 177.902 176.600 -0.030 0.000 0.994 263 E CA 1.474 57.869 56.400 -0.009 0.000 0.801 263 E CB 0.089 29.788 29.700 -0.002 0.000 0.743 263 E HN 0.502 nan 8.360 nan 0.000 0.453 264 Q N 0.755 120.535 119.800 -0.034 0.000 2.437 264 Q HA -0.095 4.245 4.340 0.000 0.000 0.210 264 Q C 1.101 177.065 176.000 -0.059 0.000 0.972 264 Q CA 0.926 56.697 55.803 -0.053 0.000 0.903 264 Q CB 0.130 28.837 28.738 -0.053 0.000 0.967 264 Q HN 0.187 nan 8.270 nan 0.000 0.486 265 D N -0.275 120.097 120.400 -0.047 0.000 2.348 265 D HA 0.038 4.678 4.640 0.000 0.000 0.211 265 D C 0.056 176.319 176.300 -0.062 0.000 0.998 265 D CA 0.491 54.461 54.000 -0.051 0.000 0.873 265 D CB 0.352 41.130 40.800 -0.036 0.000 0.925 265 D HN 0.253 nan 8.370 nan 0.000 0.524 266 S N -0.762 114.900 115.700 -0.063 0.000 2.595 266 S HA 0.511 4.981 4.470 0.000 0.000 0.281 266 S C -0.393 174.150 174.600 -0.095 0.000 1.117 266 S CA -0.931 57.227 58.200 -0.071 0.000 0.873 266 S CB 1.706 64.883 63.200 -0.037 0.000 1.108 266 S HN -0.041 nan 8.310 nan 0.000 0.477 267 I N 2.239 122.739 120.570 -0.117 0.000 2.517 267 I HA 0.164 4.334 4.170 0.000 0.000 0.285 267 I C 0.044 176.101 176.117 -0.101 0.000 1.106 267 I CA -0.107 61.111 61.300 -0.136 0.000 1.402 267 I CB 0.082 37.989 38.000 -0.154 0.000 1.399 267 I HN 0.552 nan 8.210 nan 0.000 0.535 271 A N 0.396 123.201 122.820 -0.026 0.000 1.940 271 A HA 0.190 4.510 4.320 0.000 0.000 0.219 271 A C 2.131 179.719 177.584 0.007 0.000 1.176 271 A CA 3.024 55.053 52.037 -0.013 0.000 0.631 271 A CB -1.094 17.896 19.000 -0.016 0.000 0.814 271 A HN 0.950 nan 8.150 nan 0.000 0.446 272 A N -1.301 121.529 122.820 0.017 0.000 1.930 272 A HA -0.021 4.299 4.320 0.000 0.000 0.217 272 A C 2.271 179.871 177.584 0.026 0.000 1.175 272 A CA 2.099 54.153 52.037 0.027 0.000 0.627 272 A CB -1.105 17.920 19.000 0.041 0.000 0.815 272 A HN 0.414 nan 8.150 nan 0.000 0.443 273 T N -0.681 113.884 114.554 0.018 0.000 2.708 273 T HA -0.161 4.189 4.350 0.000 0.000 0.266 273 T C 2.096 176.809 174.700 0.023 0.000 1.037 273 T CA 1.639 63.747 62.100 0.013 0.000 1.146 273 T CB -0.215 68.644 68.868 -0.015 0.000 0.865 273 T HN 0.541 nan 8.240 nan 0.000 0.435 274 R N 0.562 121.080 120.500 0.030 0.000 2.091 274 R HA -0.023 4.317 4.340 0.000 0.000 0.238 274 R C 2.644 178.984 176.300 0.065 0.000 1.136 274 R CA 1.338 57.477 56.100 0.066 0.000 0.959 274 R CB -0.018 30.332 30.300 0.085 0.000 0.856 274 R HN 0.301 nan 8.270 nan 0.000 0.437 275 R N -0.433 120.095 120.500 0.046 0.000 2.073 275 R HA -0.078 4.263 4.340 0.000 0.000 0.229 275 R C 2.086 178.410 176.300 0.040 0.000 1.120 275 R CA 1.557 57.682 56.100 0.042 0.000 0.967 275 R CB -0.384 29.934 30.300 0.029 0.000 0.862 275 R HN 0.215 nan 8.270 nan 0.000 0.436 276 N N 0.719 119.441 118.700 0.036 0.000 2.244 276 N HA -0.072 4.668 4.740 0.000 0.000 0.183 276 N C 1.467 177.006 175.510 0.049 0.000 1.016 276 N CA 0.921 53.994 53.050 0.038 0.000 0.866 276 N CB 0.046 38.553 38.487 0.033 0.000 0.980 276 N HN 0.134 nan 8.380 nan 0.000 0.430 277 L N 0.180 121.428 121.223 0.042 0.000 2.418 277 L HA 0.109 4.449 4.340 0.000 0.000 0.218 277 L C -0.077 176.821 176.870 0.047 0.000 1.125 277 L CA 0.396 55.258 54.840 0.037 0.000 0.835 277 L CB -0.388 41.674 42.059 0.005 0.000 0.953 277 L HN 0.238 nan 8.230 nan 0.000 0.454 278 E N -0.120 120.110 120.200 0.050 0.000 2.271 278 E HA -0.254 4.096 4.350 0.000 0.000 0.223 278 E C 0.997 177.619 176.600 0.037 0.000 1.223 278 E CA 0.077 56.509 56.400 0.053 0.000 0.704 278 E CB -1.470 28.265 29.700 0.059 0.000 1.194 278 E HN 0.506 nan 8.360 nan 0.000 0.375 279 I N -0.103 120.479 120.570 0.020 0.000 2.076 279 I HA -0.273 3.897 4.170 0.000 0.000 0.237 279 I C 2.486 178.581 176.117 -0.036 0.000 1.059 279 I CA 2.372 63.634 61.300 -0.064 0.000 1.317 279 I CB -0.349 37.511 38.000 -0.232 0.000 1.037 279 I HN 0.388 nan 8.210 nan 0.000 0.398 280 T N -3.694 110.897 114.554 0.062 0.000 2.975 280 T HA 0.147 4.497 4.350 0.000 0.000 0.261 280 T C 0.447 175.199 174.700 0.087 0.000 0.984 280 T CA -0.357 61.800 62.100 0.096 0.000 0.911 280 T CB 0.349 69.342 68.868 0.209 0.000 1.127 280 T HN 0.273 nan 8.240 nan 0.000 0.514 281 Q N 2.313 122.166 119.800 0.087 0.000 2.285 281 Q HA 0.334 4.674 4.340 0.000 0.000 0.269 281 Q C -0.897 175.133 176.000 0.049 0.000 1.030 281 Q CA -0.852 54.988 55.803 0.061 0.000 0.788 281 Q CB 1.603 30.377 28.738 0.060 0.000 1.266 281 Q HN 0.537 nan 8.270 nan 0.000 0.438 282 N N 3.373 122.094 118.700 0.036 0.000 2.354 282 N HA 0.030 4.770 4.740 0.000 0.000 0.246 282 N C 0.730 176.256 175.510 0.026 0.000 1.285 282 N CA -0.297 52.771 53.050 0.031 0.000 0.925 282 N CB 0.940 39.441 38.487 0.023 0.000 1.174 282 N HN 0.661 nan 8.380 nan 0.000 0.478 283 L N -0.315 120.921 121.223 0.022 0.000 2.353 283 L HA -0.136 4.204 4.340 0.000 0.000 0.220 283 L C 2.223 179.100 176.870 0.012 0.000 1.133 283 L CA 1.152 56.003 54.840 0.017 0.000 0.798 283 L CB -0.384 41.683 42.059 0.013 0.000 0.922 283 L HN 0.767 nan 8.230 nan 0.000 0.445 284 A N -1.049 121.777 122.820 0.011 0.000 2.275 284 A HA 0.386 4.706 4.320 0.000 0.000 0.212 284 A C 1.717 179.307 177.584 0.009 0.000 1.201 284 A CA 0.672 52.713 52.037 0.007 0.000 0.843 284 A CB -0.047 18.956 19.000 0.005 0.000 0.873 284 A HN 0.469 nan 8.150 nan 0.000 0.492 285 G N -1.960 106.847 108.800 0.013 0.000 2.195 285 G HA2 -0.041 3.920 3.960 0.000 0.000 0.224 285 G HA3 -0.041 3.920 3.960 0.000 0.000 0.224 285 G C 0.757 175.666 174.900 0.015 0.000 0.990 285 G CA 0.186 45.294 45.100 0.013 0.000 0.639 285 G HN 1.320 nan 8.290 nan 0.000 0.514 286 G N -0.849 107.960 108.800 0.015 0.000 2.557 286 G HA2 0.692 4.652 3.960 0.000 0.000 0.292 286 G HA3 0.692 4.652 3.960 0.000 0.000 0.292 286 G C 0.963 175.875 174.900 0.020 0.000 1.237 286 G CA 0.491 45.599 45.100 0.015 0.000 0.978 286 G HN 1.290 nan 8.290 nan 0.000 0.498 287 A N -0.868 121.963 122.820 0.018 0.000 2.390 287 A HA 0.377 4.697 4.320 0.000 0.000 0.232 287 A C 0.698 178.294 177.584 0.019 0.000 1.233 287 A CA 0.046 52.096 52.037 0.022 0.000 0.907 287 A CB 0.001 19.013 19.000 0.019 0.000 0.967 287 A HN 0.595 nan 8.150 nan 0.000 0.512 288 E N 1.288 121.498 120.200 0.016 0.000 2.360 288 E HA 0.323 4.673 4.350 0.000 0.000 0.269 288 E C -0.301 176.309 176.600 0.017 0.000 1.022 288 E CA -0.285 56.123 56.400 0.014 0.000 0.887 288 E CB 0.114 29.820 29.700 0.010 0.000 0.990 288 E HN 0.266 nan 8.360 nan 0.000 0.426 289 N N 0.509 119.219 118.700 0.017 0.000 2.738 289 N HA -0.160 4.581 4.740 0.000 0.000 0.249 289 N C -0.939 174.591 175.510 0.033 0.000 1.047 289 N CA 1.362 54.425 53.050 0.022 0.000 0.707 289 N CB -1.944 36.552 38.487 0.014 0.000 0.937 289 N HN 0.687 nan 8.380 nan 0.000 0.545 290 T N -4.021 110.553 114.554 0.033 0.000 2.937 290 T HA 0.586 4.936 4.350 0.000 0.000 0.283 290 T C 1.372 176.094 174.700 0.036 0.000 1.012 290 T CA -0.921 61.202 62.100 0.038 0.000 0.997 290 T CB 1.517 70.404 68.868 0.032 0.000 1.136 290 T HN -0.010 nan 8.240 nan 0.000 0.551 291 L N 1.287 122.526 121.223 0.026 0.000 2.012 291 L HA 0.081 4.421 4.340 0.000 0.000 0.210 291 L C 2.811 179.689 176.870 0.014 0.000 1.073 291 L CA 2.492 57.340 54.840 0.013 0.000 0.748 291 L CB -1.441 40.605 42.059 -0.021 0.000 0.891 291 L HN 0.932 nan 8.230 nan 0.000 0.431 292 A N -0.931 121.891 122.820 0.003 0.000 1.940 292 A HA -0.259 4.061 4.320 0.000 0.000 0.219 292 A C 2.455 180.046 177.584 0.011 0.000 1.176 292 A CA 2.251 54.291 52.037 0.004 0.000 0.631 292 A CB -1.159 17.846 19.000 0.007 0.000 0.814 292 A HN 0.683 nan 8.150 nan 0.000 0.446 293 S N -0.881 114.829 115.700 0.016 0.000 2.447 293 S HA -0.045 4.425 4.470 0.000 0.000 0.233 293 S C 1.631 176.240 174.600 0.015 0.000 1.006 293 S CA 1.268 59.477 58.200 0.014 0.000 0.957 293 S CB -0.468 62.742 63.200 0.016 0.000 0.773 293 S HN 0.240 nan 8.310 nan 0.000 0.507 294 V N 1.367 121.295 119.914 0.023 0.000 2.426 294 V HA 0.159 4.279 4.120 0.000 0.000 0.242 294 V C 2.326 178.436 176.094 0.026 0.000 1.036 294 V CA 1.176 63.493 62.300 0.028 0.000 1.044 294 V CB -0.514 31.339 31.823 0.050 0.000 0.688 294 V HN 0.439 nan 8.190 nan 0.000 0.462 295 L N -0.311 120.933 121.223 0.035 0.000 2.375 295 L HA 0.125 4.465 4.340 0.000 0.000 0.215 295 L C 0.821 177.696 176.870 0.009 0.000 1.108 295 L CA 0.428 55.291 54.840 0.039 0.000 0.830 295 L CB -0.057 42.041 42.059 0.065 0.000 0.959 295 L HN 0.290 nan 8.230 nan 0.000 0.457 296 D N -0.307 120.093 120.400 -0.001 0.000 2.483 296 D HA 0.096 4.736 4.640 0.000 0.000 0.220 296 D C -0.086 176.202 176.300 -0.019 0.000 1.173 296 D CA -0.080 53.910 54.000 -0.017 0.000 0.964 296 D CB 0.330 41.120 40.800 -0.017 0.000 1.046 296 D HN 0.066 nan 8.370 nan 0.000 0.517 297 C N 3.104 122.389 119.300 -0.025 0.000 2.849 297 C HA 0.204 4.664 4.460 0.000 0.000 0.271 297 C C 0.911 175.883 174.990 -0.030 0.000 1.519 297 C CA -0.480 58.524 59.018 -0.023 0.000 1.783 297 C CB -1.595 26.132 27.740 -0.020 0.000 2.869 297 C HN 0.624 nan 8.230 nan 0.000 0.527 298 T N -0.762 113.768 114.554 -0.041 0.000 2.791 298 T HA 0.214 4.564 4.350 0.000 0.000 0.323 298 T C 1.120 175.799 174.700 -0.036 0.000 1.082 298 T CA 0.561 62.631 62.100 -0.050 0.000 1.084 298 T CB 0.864 69.689 68.868 -0.072 0.000 0.992 298 T HN 0.561 nan 8.240 nan 0.000 0.547 299 V N -2.419 117.475 119.914 -0.033 0.000 3.605 299 V HA 0.314 4.434 4.120 0.000 0.000 0.284 299 V C 0.836 176.917 176.094 -0.020 0.000 1.386 299 V CA 0.369 62.656 62.300 -0.022 0.000 1.053 299 V CB -0.791 31.024 31.823 -0.014 0.000 0.857 299 V HN 1.201 nan 8.190 nan 0.000 0.436 300 T N -1.702 112.834 114.554 -0.029 0.000 2.932 300 T HA 0.747 5.097 4.350 0.000 0.000 0.289 300 T C -2.877 171.803 174.700 -0.033 0.000 1.039 300 T CA -2.154 59.930 62.100 -0.026 0.000 1.024 300 T CB 2.030 70.882 68.868 -0.026 0.000 1.090 300 T HN 0.125 nan 8.240 nan 0.000 0.496 304 S N 0.416 116.064 115.700 -0.087 0.000 2.356 304 S HA 0.089 4.560 4.470 0.000 0.000 0.223 304 S C 1.648 176.208 174.600 -0.067 0.000 1.032 304 S CA 0.953 59.110 58.200 -0.071 0.000 1.005 304 S CB -0.219 62.956 63.200 -0.041 0.000 0.867 304 S HN 0.434 nan 8.310 nan 0.000 0.449 308 K N 0.140 120.526 120.400 -0.023 0.000 2.097 308 K HA 0.020 4.340 4.320 0.000 0.000 0.205 308 K C 1.887 178.600 176.600 0.189 0.000 1.050 308 K CA 1.598 57.931 56.287 0.076 0.000 0.938 308 K CB -0.049 32.509 32.500 0.096 0.000 0.718 308 K HN 0.291 nan 8.250 nan 0.000 0.442 309 R N -0.225 120.381 120.500 0.177 0.000 2.096 309 R HA -0.145 4.195 4.340 0.000 0.000 0.235 309 R C 2.016 178.543 176.300 0.377 0.000 1.127 309 R CA 1.403 57.663 56.100 0.267 0.000 0.968 309 R CB -0.153 30.292 30.300 0.240 0.000 0.861 309 R HN 0.284 nan 8.270 nan 0.000 0.440 310 W N 0.662 122.002 121.300 0.066 0.000 2.379 310 W HA -0.095 4.566 4.660 0.000 0.000 0.307 310 W C 1.893 178.431 176.519 0.033 0.000 1.200 310 W CA 0.303 57.679 57.345 0.052 0.000 1.297 310 W CB -0.933 28.553 29.460 0.044 0.000 1.140 310 W HN 0.019 nan 8.180 nan 0.000 0.507 311 L N -0.552 120.810 121.223 0.232 0.000 2.081 311 L HA -0.170 4.170 4.340 0.000 0.000 0.212 311 L C 0.957 177.801 176.870 -0.043 0.000 1.080 311 L CA 1.501 56.363 54.840 0.036 0.000 0.754 311 L CB -1.973 40.026 42.059 -0.099 0.000 0.893 311 L HN 0.014 nan 8.230 nan 0.000 0.433 315 V N 2.867 122.763 119.914 -0.030 0.000 2.567 315 V HA 0.334 4.454 4.120 0.000 0.000 0.289 315 V C 1.399 177.486 176.094 -0.011 0.000 1.049 315 V CA -0.345 61.916 62.300 -0.064 0.000 0.969 315 V CB 1.570 33.309 31.823 -0.139 0.000 0.995 315 V HN 0.521 nan 8.190 nan 0.000 0.471 316 R N 1.034 121.494 120.500 -0.068 0.000 2.280 316 R HA 0.079 4.419 4.340 0.000 0.000 0.195 316 R C 0.531 176.793 176.300 -0.063 0.000 0.935 316 R CA -0.117 55.934 56.100 -0.081 0.000 1.033 316 R CB 0.204 30.428 30.300 -0.127 0.000 0.964 316 R HN 0.727 nan 8.270 nan 0.000 0.489 317 D N 1.360 121.714 120.400 -0.077 0.000 2.349 317 D HA -0.034 4.606 4.640 0.000 0.000 0.266 317 D C 0.402 176.623 176.300 -0.130 0.000 1.293 317 D CA 0.489 54.436 54.000 -0.089 0.000 0.926 317 D CB 1.216 41.968 40.800 -0.080 0.000 1.090 317 D HN 0.005 nan 8.370 nan 0.000 0.502 318 T N 4.117 118.581 114.554 -0.150 0.000 2.737 318 T HA -0.227 4.123 4.350 0.000 0.000 0.269 318 T C 1.834 176.444 174.700 -0.151 0.000 1.040 318 T CA 1.171 63.134 62.100 -0.228 0.000 1.142 318 T CB 0.064 68.838 68.868 -0.157 0.000 0.861 318 T HN 0.470 nan 8.240 nan 0.000 0.456 319 R N 0.328 120.775 120.500 -0.088 0.000 2.066 319 R HA -0.040 4.300 4.340 0.000 0.000 0.232 319 R C 2.388 178.660 176.300 -0.048 0.000 1.131 319 R CA 1.040 57.110 56.100 -0.049 0.000 0.955 319 R CB -0.466 29.814 30.300 -0.035 0.000 0.851 319 R HN 0.216 nan 8.270 nan 0.000 0.432 320 V N 1.531 121.404 119.914 -0.069 0.000 2.332 320 V HA -0.275 3.845 4.120 0.000 0.000 0.248 320 V C 2.326 178.378 176.094 -0.071 0.000 1.055 320 V CA 1.768 64.022 62.300 -0.076 0.000 1.038 320 V CB -0.395 31.358 31.823 -0.116 0.000 0.651 320 V HN 0.342 nan 8.190 nan 0.000 0.450 321 L N -0.991 120.177 121.223 -0.092 0.000 2.056 321 L HA -0.169 4.171 4.340 0.000 0.000 0.207 321 L C 2.392 179.298 176.870 0.061 0.000 1.078 321 L CA 1.443 56.254 54.840 -0.049 0.000 0.749 321 L CB -0.544 41.396 42.059 -0.198 0.000 0.901 321 L HN 0.281 nan 8.230 nan 0.000 0.433 322 L N -0.499 120.754 121.223 0.051 0.000 2.046 322 L HA -0.211 4.129 4.340 0.000 0.000 0.208 322 L C 2.585 179.504 176.870 0.082 0.000 1.077 322 L CA 1.369 56.270 54.840 0.101 0.000 0.747 322 L CB -0.567 41.538 42.059 0.077 0.000 0.896 322 L HN 0.287 nan 8.230 nan 0.000 0.432 323 E N -0.139 120.090 120.200 0.048 0.000 2.153 323 E HA -0.212 4.138 4.350 0.000 0.000 0.194 323 E C 2.346 178.988 176.600 0.069 0.000 0.988 323 E CA 0.892 57.321 56.400 0.047 0.000 0.811 323 E CB -0.060 29.655 29.700 0.026 0.000 0.746 323 E HN 0.441 nan 8.360 nan 0.000 0.466 324 R N 0.747 121.291 120.500 0.075 0.000 2.075 324 R HA -0.108 4.232 4.340 0.000 0.000 0.232 324 R C 2.439 178.831 176.300 0.153 0.000 1.126 324 R CA 1.205 57.374 56.100 0.115 0.000 0.963 324 R CB -0.098 30.263 30.300 0.101 0.000 0.858 324 R HN 0.210 nan 8.270 nan 0.000 0.435 325 Q N 0.395 120.305 119.800 0.183 0.000 2.096 325 Q HA -0.234 4.106 4.340 0.000 0.000 0.204 325 Q C 2.148 178.293 176.000 0.241 0.000 0.982 325 Q CA 1.585 57.558 55.803 0.284 0.000 0.850 325 Q CB -0.062 28.823 28.738 0.244 0.000 0.901 325 Q HN 0.427 nan 8.270 nan 0.000 0.422 326 Q N -0.277 119.614 119.800 0.152 0.000 2.050 326 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 326 Q C 2.174 178.224 176.000 0.084 0.000 0.980 326 Q CA 1.770 57.641 55.803 0.113 0.000 0.840 326 Q CB -0.061 28.723 28.738 0.075 0.000 0.898 326 Q HN 0.334 nan 8.270 nan 0.000 0.424 327 T N 1.090 115.686 114.554 0.070 0.000 2.684 327 T HA -0.140 4.210 4.350 0.000 0.000 0.267 327 T C 1.824 176.535 174.700 0.017 0.000 1.036 327 T CA 1.116 63.238 62.100 0.036 0.000 1.148 327 T CB -0.221 68.678 68.868 0.051 0.000 0.863 327 T HN 0.198 nan 8.240 nan 0.000 0.436 328 I N 1.034 121.619 120.570 0.024 0.000 2.226 328 I HA -0.123 4.047 4.170 0.000 0.000 0.245 328 I C 2.854 178.913 176.117 -0.098 0.000 1.100 328 I CA 1.278 62.529 61.300 -0.080 0.000 1.374 328 I CB -0.682 37.205 38.000 -0.188 0.000 1.057 328 I HN 0.318 nan 8.210 nan 0.000 0.413 329 G N 0.405 109.221 108.800 0.026 0.000 2.421 329 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 329 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 329 G C 1.815 176.758 174.900 0.071 0.000 1.171 329 G CA 0.814 45.976 45.100 0.103 0.000 0.775 329 G HN 0.497 nan 8.290 nan 0.000 0.543 330 A N -0.019 122.831 122.820 0.051 0.000 2.015 330 A HA 0.270 4.590 4.320 0.000 0.000 0.219 330 A C 2.233 179.841 177.584 0.039 0.000 1.163 330 A CA 0.856 52.916 52.037 0.038 0.000 0.646 330 A CB -0.185 18.805 19.000 -0.017 0.000 0.806 330 A HN 0.360 nan 8.150 nan 0.000 0.448 331 L N -1.294 119.936 121.223 0.011 0.000 2.585 331 L HA 0.068 4.409 4.340 0.000 0.000 0.226 331 L C 2.337 179.286 176.870 0.133 0.000 1.113 331 L CA 0.286 55.147 54.840 0.036 0.000 0.876 331 L CB -0.145 41.889 42.059 -0.042 0.000 1.072 331 L HN 0.477 nan 8.230 nan 0.000 0.468 332 Q N 0.471 120.308 119.800 0.063 0.000 2.234 332 Q HA -0.228 4.112 4.340 0.000 0.000 0.206 332 Q C 1.265 177.222 176.000 -0.072 0.000 0.980 332 Q CA 1.589 57.378 55.803 -0.025 0.000 0.869 332 Q CB 0.249 28.959 28.738 -0.046 0.000 0.912 332 Q HN 0.470 nan 8.270 nan 0.000 0.436 333 D N -0.695 119.718 120.400 0.021 0.000 2.137 333 D HA -0.089 4.551 4.640 0.000 0.000 0.202 333 D C 1.125 177.327 176.300 -0.163 0.000 0.970 333 D CA 0.809 54.721 54.000 -0.148 0.000 0.837 333 D CB -0.095 40.559 40.800 -0.243 0.000 0.981 333 D HN 0.270 nan 8.370 nan 0.000 0.475 334 F N 1.266 121.162 119.950 -0.091 0.000 2.802 334 F HA -0.029 4.498 4.527 0.000 0.000 0.300 334 F C 2.448 178.205 175.800 -0.071 0.000 1.168 334 F CA 0.528 58.486 58.000 -0.069 0.000 1.433 334 F CB -1.119 37.852 39.000 -0.048 0.000 1.115 334 F HN -0.060 nan 8.300 nan 0.000 0.582 335 T N -1.299 113.296 114.554 0.067 0.000 2.635 335 T HA -0.293 4.057 4.350 0.000 0.000 0.267 335 T C 2.307 177.008 174.700 0.001 0.000 1.040 335 T CA 1.352 63.462 62.100 0.018 0.000 1.156 335 T CB -0.834 68.018 68.868 -0.027 0.000 0.863 335 T HN 0.217 nan 8.240 nan 0.000 0.430 336 A N 1.394 124.195 122.820 -0.031 0.000 2.024 336 A HA 0.213 4.533 4.320 0.000 0.000 0.220 336 A C 2.647 180.224 177.584 -0.012 0.000 1.164 336 A CA 1.781 53.800 52.037 -0.029 0.000 0.643 336 A CB -1.462 17.507 19.000 -0.051 0.000 0.806 336 A HN 0.717 nan 8.150 nan 0.000 0.451 337 G N -0.972 107.830 108.800 0.003 0.000 2.492 337 G HA2 0.103 4.063 3.960 0.000 0.000 0.214 337 G HA3 0.103 4.063 3.960 0.000 0.000 0.214 337 G C 1.475 176.397 174.900 0.036 0.000 1.147 337 G CA 0.642 45.753 45.100 0.019 0.000 0.809 337 G HN 0.410 nan 8.290 nan 0.000 0.533 338 L N -0.154 121.099 121.223 0.050 0.000 2.162 338 L HA 0.042 4.382 4.340 0.000 0.000 0.205 338 L C 3.080 179.960 176.870 0.017 0.000 1.086 338 L CA 0.529 55.392 54.840 0.039 0.000 0.778 338 L CB -0.285 41.801 42.059 0.045 0.000 0.928 338 L HN 0.193 nan 8.230 nan 0.000 0.446 339 Q N 0.196 120.003 119.800 0.011 0.000 2.061 339 Q HA -0.199 4.141 4.340 0.000 0.000 0.204 339 Q C -0.408 175.594 176.000 0.003 0.000 0.984 339 Q CA 1.628 57.432 55.803 0.002 0.000 0.846 339 Q CB -1.257 27.479 28.738 -0.003 0.000 0.902 339 Q HN 0.427 nan 8.270 nan 0.000 0.421 340 P HA -0.118 nan 4.420 nan 0.000 0.218 340 P C 1.442 178.747 177.300 0.009 0.000 1.148 340 P CA 1.101 64.206 63.100 0.008 0.000 0.822 340 P CB 0.020 31.725 31.700 0.007 0.000 0.784 341 V N -0.825 119.093 119.914 0.007 0.000 2.407 341 V HA -0.148 3.972 4.120 0.000 0.000 0.245 341 V C 2.454 178.547 176.094 -0.001 0.000 1.041 341 V CA 1.261 63.561 62.300 0.000 0.000 1.040 341 V CB -1.199 30.625 31.823 0.002 0.000 0.671 341 V HN 0.043 nan 8.190 nan 0.000 0.455 342 L N 0.049 121.274 121.223 0.003 0.000 2.042 342 L HA -0.225 4.115 4.340 0.000 0.000 0.210 342 L C 2.775 179.647 176.870 0.003 0.000 1.076 342 L CA 1.945 56.786 54.840 0.002 0.000 0.749 342 L CB -0.508 41.549 42.059 -0.003 0.000 0.893 342 L HN 0.296 nan 8.230 nan 0.000 0.432 343 R N -0.353 120.150 120.500 0.006 0.000 2.127 343 R HA -0.194 4.146 4.340 0.000 0.000 0.238 343 R C 2.091 178.408 176.300 0.029 0.000 1.134 343 R CA 1.238 57.345 56.100 0.011 0.000 0.975 343 R CB 0.004 30.311 30.300 0.012 0.000 0.865 343 R HN 0.400 nan 8.270 nan 0.000 0.447 344 Q N -0.158 119.665 119.800 0.037 0.000 2.435 344 Q HA -0.032 4.308 4.340 0.000 0.000 0.207 344 Q C 1.964 178.011 176.000 0.077 0.000 0.956 344 Q CA 0.653 56.507 55.803 0.085 0.000 0.917 344 Q CB 0.402 29.162 28.738 0.037 0.000 0.997 344 Q HN 0.269 nan 8.270 nan 0.000 0.497 345 V N -0.081 119.847 119.914 0.024 0.000 2.548 345 V HA -0.069 4.051 4.120 0.000 0.000 0.249 345 V C 1.443 177.542 176.094 0.007 0.000 1.055 345 V CA 1.314 63.620 62.300 0.009 0.000 1.065 345 V CB -0.931 30.895 31.823 0.006 0.000 0.681 345 V HN 0.558 nan 8.190 nan 0.000 0.462 346 G N 0.568 109.375 108.800 0.011 0.000 2.552 346 G HA2 -0.339 3.621 3.960 0.000 0.000 0.265 346 G HA3 -0.339 3.621 3.960 0.000 0.000 0.265 346 G C -0.015 174.874 174.900 -0.018 0.000 1.234 346 G CA 0.312 45.410 45.100 -0.002 0.000 0.944 346 G HN 0.417 nan 8.290 nan 0.000 0.568 347 D N 0.728 121.112 120.400 -0.026 0.000 2.943 347 D HA 0.368 5.008 4.640 0.000 0.000 0.249 347 D C 1.835 178.109 176.300 -0.043 0.000 1.231 347 D CA -0.383 53.599 54.000 -0.031 0.000 0.979 347 D CB 0.223 41.005 40.800 -0.029 0.000 1.053 347 D HN 0.395 nan 8.370 nan 0.000 0.504 348 L N 1.557 122.752 121.223 -0.047 0.000 2.081 348 L HA -0.143 4.197 4.340 0.000 0.000 0.212 348 L C 1.964 178.801 176.870 -0.056 0.000 1.080 348 L CA 1.927 56.725 54.840 -0.069 0.000 0.754 348 L CB -0.392 41.628 42.059 -0.064 0.000 0.893 348 L HN 0.350 nan 8.230 nan 0.000 0.433 349 E N -0.605 119.576 120.200 -0.032 0.000 2.049 349 E HA -0.296 4.054 4.350 0.000 0.000 0.198 349 E C 2.349 178.931 176.600 -0.030 0.000 1.007 349 E CA 1.723 58.112 56.400 -0.018 0.000 0.809 349 E CB -0.128 29.570 29.700 -0.003 0.000 0.749 349 E HN 0.504 nan 8.360 nan 0.000 0.450 350 R N -0.105 120.374 120.500 -0.034 0.000 2.115 350 R HA -0.044 4.296 4.340 0.000 0.000 0.230 350 R C 2.539 178.799 176.300 -0.066 0.000 1.111 350 R CA 1.107 57.182 56.100 -0.042 0.000 0.976 350 R CB -0.203 30.077 30.300 -0.034 0.000 0.870 350 R HN 0.317 nan 8.270 nan 0.000 0.445 351 I N 0.928 121.456 120.570 -0.071 0.000 2.226 351 I HA -0.313 3.857 4.170 0.000 0.000 0.245 351 I C 2.140 178.190 176.117 -0.112 0.000 1.100 351 I CA 1.349 62.596 61.300 -0.087 0.000 1.374 351 I CB -0.231 37.713 38.000 -0.093 0.000 1.057 351 I HN 0.163 nan 8.210 nan 0.000 0.413 352 L N 0.399 121.559 121.223 -0.105 0.000 2.079 352 L HA -0.238 4.102 4.340 0.000 0.000 0.210 352 L C 2.843 179.611 176.870 -0.171 0.000 1.081 352 L CA 1.320 56.091 54.840 -0.114 0.000 0.752 352 L CB -0.787 41.230 42.059 -0.071 0.000 0.896 352 L HN 0.272 nan 8.230 nan 0.000 0.433 353 A N 0.232 122.949 122.820 -0.171 0.000 1.902 353 A HA -0.220 4.100 4.320 0.000 0.000 0.217 353 A C 2.379 179.760 177.584 -0.339 0.000 1.181 353 A CA 1.589 53.441 52.037 -0.308 0.000 0.623 353 A CB -0.466 18.435 19.000 -0.165 0.000 0.818 353 A HN 0.317 nan 8.150 nan 0.000 0.443 354 R N -1.201 119.166 120.500 -0.221 0.000 2.096 354 R HA -0.086 4.254 4.340 0.000 0.000 0.235 354 R C 2.098 178.215 176.300 -0.305 0.000 1.127 354 R CA 1.287 57.260 56.100 -0.213 0.000 0.968 354 R CB -0.514 29.708 30.300 -0.129 0.000 0.861 354 R HN 0.507 nan 8.270 nan 0.000 0.440 355 L N 0.693 121.740 121.223 -0.294 0.000 1.989 355 L HA -0.171 4.169 4.340 0.000 0.000 0.211 355 L C 2.261 178.875 176.870 -0.427 0.000 1.071 355 L CA 2.176 56.790 54.840 -0.377 0.000 0.749 355 L CB -0.664 41.267 42.059 -0.213 0.000 0.890 355 L HN 0.148 nan 8.230 nan 0.000 0.431 356 A N -0.790 121.825 122.820 -0.342 0.000 1.940 356 A HA -0.168 4.152 4.320 0.000 0.000 0.219 356 A C 2.218 179.618 177.584 -0.307 0.000 1.176 356 A CA 2.020 53.871 52.037 -0.310 0.000 0.631 356 A CB -0.934 17.831 19.000 -0.392 0.000 0.814 356 A HN 0.522 nan 8.150 nan 0.000 0.446 357 L N -2.200 118.810 121.223 -0.355 0.000 2.478 357 L HA 0.058 4.398 4.340 0.000 0.000 0.223 357 L C 0.694 177.414 176.870 -0.249 0.000 1.140 357 L CA 0.270 54.964 54.840 -0.243 0.000 0.842 357 L CB -0.117 41.819 42.059 -0.206 0.000 0.953 357 L HN 0.386 nan 8.230 nan 0.000 0.452 358 R N -0.687 119.551 120.500 -0.436 0.000 3.322 358 R HA -0.157 4.183 4.340 0.000 0.000 0.266 358 R C 0.375 176.488 176.300 -0.312 0.000 1.072 358 R CA 0.639 56.356 56.100 -0.638 0.000 0.715 358 R CB -2.454 27.677 30.300 -0.282 0.000 1.199 358 R HN 0.179 nan 8.270 nan 0.000 0.421 359 T N -1.309 113.088 114.554 -0.262 0.000 3.058 359 T HA 0.253 4.603 4.350 0.000 0.000 0.278 359 T C 0.432 175.143 174.700 0.018 0.000 0.974 359 T CA 0.486 62.556 62.100 -0.050 0.000 0.893 359 T CB 0.603 69.432 68.868 -0.064 0.000 1.138 359 T HN 0.496 nan 8.240 nan 0.000 0.529 360 A N 2.317 125.101 122.820 -0.059 0.000 2.548 360 A HA 0.367 4.687 4.320 0.000 0.000 0.247 360 A C 0.514 178.270 177.584 0.286 0.000 1.067 360 A CA 0.333 52.407 52.037 0.061 0.000 0.757 360 A CB 0.117 19.113 19.000 -0.005 0.000 0.996 360 A HN 0.423 nan 8.150 nan 0.000 0.504 361 R N 2.767 123.380 120.500 0.189 0.000 2.543 361 R HA 0.290 4.630 4.340 0.000 0.000 0.268 361 R C -1.707 174.726 176.300 0.222 0.000 1.067 361 R CA -1.745 54.469 56.100 0.190 0.000 1.142 361 R CB 0.232 30.576 30.300 0.073 0.000 1.110 361 R HN 0.417 nan 8.270 nan 0.000 0.549 362 P HA -0.182 nan 4.420 nan 0.000 0.215 362 P C 0.515 177.863 177.300 0.080 0.000 1.157 362 P CA 1.559 64.741 63.100 0.136 0.000 0.874 362 P CB 0.143 31.835 31.700 -0.013 0.000 0.790 363 R N -0.890 119.629 120.500 0.032 0.000 2.285 363 R HA -0.063 4.277 4.340 0.000 0.000 0.213 363 R C 1.476 177.775 176.300 -0.002 0.000 1.068 363 R CA 0.828 56.929 56.100 0.002 0.000 1.004 363 R CB -0.598 29.691 30.300 -0.018 0.000 0.873 363 R HN 0.287 nan 8.270 nan 0.000 0.467 364 D N 0.901 121.315 120.400 0.024 0.000 2.103 364 D HA -0.071 4.570 4.640 0.000 0.000 0.199 364 D C 1.997 178.287 176.300 -0.017 0.000 0.978 364 D CA 0.911 54.911 54.000 -0.000 0.000 0.829 364 D CB -0.007 40.804 40.800 0.018 0.000 0.981 364 D HN 0.148 nan 8.370 nan 0.000 0.464 365 L N 0.796 122.037 121.223 0.030 0.000 2.131 365 L HA -0.116 4.224 4.340 0.000 0.000 0.210 365 L C 2.527 179.378 176.870 -0.030 0.000 1.092 365 L CA 0.902 55.743 54.840 0.001 0.000 0.759 365 L CB -0.461 41.627 42.059 0.048 0.000 0.903 365 L HN -0.030 nan 8.230 nan 0.000 0.435 366 A N 0.002 122.816 122.820 -0.010 0.000 1.902 366 A HA -0.131 4.189 4.320 0.000 0.000 0.217 366 A C 1.715 179.278 177.584 -0.036 0.000 1.181 366 A CA 0.856 52.881 52.037 -0.020 0.000 0.623 366 A CB -0.303 18.684 19.000 -0.021 0.000 0.818 366 A HN 0.279 nan 8.150 nan 0.000 0.443 370 H N 1.101 120.121 119.070 -0.083 0.000 2.422 370 H HA 0.104 4.660 4.556 0.000 0.000 0.298 370 H C 1.596 176.905 175.328 -0.031 0.000 1.098 370 H CA 2.437 58.463 56.048 -0.037 0.000 1.315 370 H CB 0.165 29.901 29.762 -0.043 0.000 1.382 370 H HN 0.400 nan 8.280 nan 0.000 0.523 371 A N -0.192 122.591 122.820 -0.062 0.000 1.872 371 A HA -0.084 4.236 4.320 0.000 0.000 0.214 371 A C 2.000 179.614 177.584 0.049 0.000 1.187 371 A CA 1.186 53.176 52.037 -0.079 0.000 0.614 371 A CB -0.850 18.062 19.000 -0.147 0.000 0.826 371 A HN 0.393 nan 8.150 nan 0.000 0.442 372 F N 0.498 120.455 119.950 0.013 0.000 2.126 372 F HA -0.197 4.330 4.527 0.000 0.000 0.299 372 F C 2.561 178.371 175.800 0.016 0.000 1.096 372 F CA 1.395 59.424 58.000 0.048 0.000 1.255 372 F CB -1.170 37.864 39.000 0.058 0.000 0.997 372 F HN 0.351 nan 8.300 nan 0.000 0.479 373 Q N -0.513 119.384 119.800 0.161 0.000 2.364 373 Q HA -0.178 4.162 4.340 0.000 0.000 0.209 373 Q C 1.847 177.841 176.000 -0.011 0.000 0.977 373 Q CA 0.898 56.730 55.803 0.047 0.000 0.885 373 Q CB -0.085 28.641 28.738 -0.020 0.000 0.941 373 Q HN 0.448 nan 8.270 nan 0.000 0.464 374 Q N -0.314 119.474 119.800 -0.021 0.000 2.402 374 Q HA 0.056 4.396 4.340 0.000 0.000 0.206 374 Q C 2.014 178.026 176.000 0.019 0.000 0.919 374 Q CA 0.299 56.081 55.803 -0.034 0.000 0.923 374 Q CB 0.225 28.923 28.738 -0.067 0.000 1.048 374 Q HN 0.429 nan 8.270 nan 0.000 0.515 375 L N 1.101 122.364 121.223 0.067 0.000 2.013 375 L HA -0.203 4.137 4.340 0.000 0.000 0.212 375 L C -0.486 176.399 176.870 0.026 0.000 1.073 375 L CA 1.737 56.618 54.840 0.069 0.000 0.753 375 L CB -1.923 40.206 42.059 0.116 0.000 0.890 375 L HN 0.146 nan 8.230 nan 0.000 0.432 376 P HA -0.199 nan 4.420 nan 0.000 0.215 376 P C 1.358 178.659 177.300 0.002 0.000 1.157 376 P CA 1.267 64.368 63.100 0.000 0.000 0.868 376 P CB 0.090 31.791 31.700 0.000 0.000 0.788 377 E N -0.035 120.167 120.200 0.004 0.000 2.058 377 E HA -0.172 4.178 4.350 0.000 0.000 0.194 377 E C 1.942 178.548 176.600 0.011 0.000 0.997 377 E CA 1.353 57.757 56.400 0.006 0.000 0.801 377 E CB -1.282 28.419 29.700 0.002 0.000 0.746 377 E HN 0.088 nan 8.360 nan 0.000 0.450 378 L N -0.014 121.214 121.223 0.010 0.000 2.012 378 L HA -0.191 4.149 4.340 0.000 0.000 0.210 378 L C 2.835 179.705 176.870 0.001 0.000 1.073 378 L CA 1.758 56.604 54.840 0.009 0.000 0.748 378 L CB -0.417 41.650 42.059 0.013 0.000 0.891 378 L HN 0.126 nan 8.230 nan 0.000 0.431 379 R N -0.372 120.126 120.500 -0.002 0.000 2.103 379 R HA -0.201 4.139 4.340 0.000 0.000 0.242 379 R C 2.375 178.669 176.300 -0.010 0.000 1.142 379 R CA 1.494 57.586 56.100 -0.013 0.000 0.960 379 R CB -0.506 29.782 30.300 -0.020 0.000 0.858 379 R HN 0.413 nan 8.270 nan 0.000 0.439 380 A N 0.851 123.672 122.820 0.001 0.000 1.855 380 A HA -0.209 4.111 4.320 0.000 0.000 0.215 380 A C 2.033 179.633 177.584 0.028 0.000 1.191 380 A CA 1.190 53.233 52.037 0.011 0.000 0.613 380 A CB -0.517 18.491 19.000 0.014 0.000 0.829 380 A HN 0.320 nan 8.150 nan 0.000 0.442 381 Q N -0.802 119.022 119.800 0.039 0.000 2.181 381 Q HA -0.113 4.227 4.340 0.000 0.000 0.205 381 Q C 1.856 177.883 176.000 0.046 0.000 0.980 381 Q CA 1.330 57.183 55.803 0.083 0.000 0.862 381 Q CB -0.240 28.552 28.738 0.090 0.000 0.905 381 Q HN 0.684 nan 8.270 nan 0.000 0.429 382 L N -0.330 120.877 121.223 -0.028 0.000 2.446 382 L HA -0.031 4.309 4.340 0.000 0.000 0.219 382 L C 2.130 178.941 176.870 -0.099 0.000 1.116 382 L CA 0.222 54.993 54.840 -0.115 0.000 0.844 382 L CB -0.091 41.908 42.059 -0.100 0.000 0.970 382 L HN 0.205 nan 8.230 nan 0.000 0.457 383 E N 0.058 120.234 120.200 -0.038 0.000 2.118 383 E HA -0.273 4.077 4.350 0.000 0.000 0.195 383 E C 2.163 178.751 176.600 -0.019 0.000 0.992 383 E CA 1.885 58.270 56.400 -0.026 0.000 0.804 383 E CB 0.109 29.805 29.700 -0.007 0.000 0.741 383 E HN 0.416 nan 8.360 nan 0.000 0.458 384 T N -0.611 113.951 114.554 0.014 0.000 2.788 384 T HA -0.089 4.262 4.350 0.000 0.000 0.268 384 T C 0.917 175.626 174.700 0.015 0.000 1.044 384 T CA 0.759 62.896 62.100 0.061 0.000 1.139 384 T CB -0.296 68.685 68.868 0.188 0.000 0.867 384 T HN -0.063 nan 8.240 nan 0.000 0.454 385 V N 3.404 123.230 119.914 -0.147 0.000 2.442 385 V HA 0.101 4.221 4.120 0.000 0.000 0.272 385 V C 0.514 176.543 176.094 -0.108 0.000 0.989 385 V CA 0.028 62.176 62.300 -0.253 0.000 1.123 385 V CB -0.511 30.995 31.823 -0.527 0.000 1.008 385 V HN 0.483 nan 8.190 nan 0.000 0.469 386 D N 4.308 124.687 120.400 -0.034 0.000 2.608 386 D HA 0.222 4.862 4.640 0.000 0.000 0.224 386 D C 0.246 176.537 176.300 -0.016 0.000 1.123 386 D CA 0.236 54.227 54.000 -0.015 0.000 1.030 386 D CB 0.083 40.890 40.800 0.012 0.000 1.093 386 D HN 0.641 nan 8.370 nan 0.000 0.497 387 S N 1.269 116.948 115.700 -0.035 0.000 2.619 387 S HA 0.605 5.075 4.470 0.000 0.000 0.280 387 S C 1.003 175.590 174.600 -0.022 0.000 1.150 387 S CA -0.244 57.943 58.200 -0.021 0.000 0.978 387 S CB 1.417 64.600 63.200 -0.029 0.000 1.041 387 S HN 0.216 nan 8.310 nan 0.000 0.485 388 A N 5.775 128.590 122.820 -0.008 0.000 1.865 388 A HA 0.137 4.457 4.320 0.000 0.000 0.217 388 A C -0.694 176.886 177.584 -0.006 0.000 1.191 388 A CA 1.727 53.761 52.037 -0.006 0.000 0.623 388 A CB -1.999 17.002 19.000 0.001 0.000 0.826 388 A HN 0.701 nan 8.150 nan 0.000 0.444 389 P HA -0.127 nan 4.420 nan 0.000 0.216 389 P C 1.652 178.951 177.300 -0.000 0.000 1.153 389 P CA 1.394 64.499 63.100 0.009 0.000 0.858 389 P CB -0.152 31.562 31.700 0.022 0.000 0.789 390 V N -0.209 119.692 119.914 -0.021 0.000 2.295 390 V HA -0.248 3.872 4.120 0.000 0.000 0.246 390 V C 2.535 178.603 176.094 -0.044 0.000 1.049 390 V CA 1.758 64.030 62.300 -0.046 0.000 1.024 390 V CB -1.137 30.628 31.823 -0.097 0.000 0.648 390 V HN 0.127 nan 8.190 nan 0.000 0.447 391 Q N -0.231 119.544 119.800 -0.041 0.000 2.170 391 Q HA -0.133 4.207 4.340 0.000 0.000 0.203 391 Q C 2.356 178.344 176.000 -0.021 0.000 0.976 391 Q CA 1.805 57.587 55.803 -0.035 0.000 0.858 391 Q CB -0.673 28.047 28.738 -0.030 0.000 0.907 391 Q HN 0.670 nan 8.270 nan 0.000 0.433 392 A N 0.318 123.131 122.820 -0.011 0.000 1.969 392 A HA -0.077 4.243 4.320 0.000 0.000 0.218 392 A C 2.194 179.781 177.584 0.006 0.000 1.169 392 A CA 0.783 52.820 52.037 -0.001 0.000 0.635 392 A CB -0.461 18.543 19.000 0.007 0.000 0.810 392 A HN 0.298 nan 8.150 nan 0.000 0.445 393 L N -1.447 119.780 121.223 0.006 0.000 2.131 393 L HA -0.062 4.278 4.340 0.000 0.000 0.206 393 L C 2.747 179.622 176.870 0.008 0.000 1.087 393 L CA 1.086 55.936 54.840 0.017 0.000 0.767 393 L CB -0.382 41.688 42.059 0.019 0.000 0.917 393 L HN 0.395 nan 8.230 nan 0.000 0.441 394 R N 0.290 120.784 120.500 -0.011 0.000 2.083 394 R HA -0.256 4.084 4.340 0.000 0.000 0.237 394 R C 2.247 178.536 176.300 -0.019 0.000 1.137 394 R CA 2.061 58.150 56.100 -0.019 0.000 0.951 394 R CB -0.078 30.201 30.300 -0.035 0.000 0.851 394 R HN 0.211 nan 8.270 nan 0.000 0.434 395 E N 1.090 121.277 120.200 -0.022 0.000 2.051 395 E HA -0.131 4.219 4.350 0.000 0.000 0.192 395 E C 0.539 177.124 176.600 -0.025 0.000 0.991 395 E CA 1.385 57.766 56.400 -0.032 0.000 0.799 395 E CB -0.071 29.613 29.700 -0.026 0.000 0.748 395 E HN 0.122 nan 8.360 nan 0.000 0.449 399 E N -2.026 117.701 120.200 -0.790 0.000 2.940 399 E HA 0.316 4.666 4.350 0.000 0.000 0.203 399 E C 0.001 176.353 176.600 -0.414 0.000 0.995 399 E CA -0.078 56.066 56.400 -0.427 0.000 1.396 399 E CB 0.344 29.858 29.700 -0.310 0.000 1.310 399 E HN 0.564 nan 8.360 nan 0.000 0.613 400 F N 0.211 119.963 119.950 -0.330 0.000 3.027 400 F HA -0.280 4.247 4.527 0.000 0.000 0.276 400 F C 0.934 176.436 175.800 -0.496 0.000 0.967 400 F CA 0.397 58.068 58.000 -0.549 0.000 0.929 400 F CB -2.003 36.380 39.000 -1.028 0.000 0.873 400 F HN 0.213 nan 8.300 nan 0.000 0.787 401 A N -0.356 122.342 122.820 -0.203 0.000 1.902 401 A HA -0.187 4.133 4.320 0.000 0.000 0.217 401 A C 2.142 179.669 177.584 -0.094 0.000 1.181 401 A CA 1.869 53.832 52.037 -0.122 0.000 0.623 401 A CB -0.348 18.595 19.000 -0.095 0.000 0.818 401 A HN 0.633 nan 8.150 nan 0.000 0.443 402 E N -0.157 119.980 120.200 -0.106 0.000 2.110 402 E HA -0.116 4.234 4.350 0.000 0.000 0.193 402 E C 1.880 178.452 176.600 -0.046 0.000 0.988 402 E CA 1.072 57.435 56.400 -0.061 0.000 0.804 402 E CB -0.235 29.428 29.700 -0.062 0.000 0.745 402 E HN 0.629 nan 8.360 nan 0.000 0.458 403 L N 0.291 121.443 121.223 -0.118 0.000 2.156 403 L HA -0.061 4.280 4.340 0.000 0.000 0.208 403 L C 2.662 179.579 176.870 0.079 0.000 1.095 403 L CA 0.693 55.502 54.840 -0.051 0.000 0.770 403 L CB -0.375 41.578 42.059 -0.177 0.000 0.914 403 L HN 0.075 nan 8.230 nan 0.000 0.439 404 R N 0.624 121.131 120.500 0.013 0.000 2.092 404 R HA -0.212 4.128 4.340 0.000 0.000 0.231 404 R C 1.856 178.231 176.300 0.126 0.000 1.119 404 R CA 2.080 58.297 56.100 0.196 0.000 0.970 404 R CB -0.084 30.292 30.300 0.126 0.000 0.864 404 R HN 0.333 nan 8.270 nan 0.000 0.440 405 D N 0.080 120.520 120.400 0.067 0.000 2.103 405 D HA -0.172 4.468 4.640 0.000 0.000 0.199 405 D C 2.009 178.354 176.300 0.076 0.000 0.978 405 D CA 0.815 54.852 54.000 0.063 0.000 0.829 405 D CB -0.019 40.806 40.800 0.043 0.000 0.981 405 D HN 0.156 nan 8.370 nan 0.000 0.464 406 L N 0.394 121.666 121.223 0.081 0.000 1.971 406 L HA -0.169 4.171 4.340 0.000 0.000 0.215 406 L C 2.248 179.142 176.870 0.040 0.000 1.072 406 L CA 1.750 56.644 54.840 0.089 0.000 0.758 406 L CB -0.672 41.445 42.059 0.096 0.000 0.889 406 L HN 0.196 nan 8.230 nan 0.000 0.433 407 L N -0.762 120.498 121.223 0.062 0.000 2.127 407 L HA -0.225 4.115 4.340 0.000 0.000 0.211 407 L C 2.516 179.393 176.870 0.011 0.000 1.089 407 L CA 1.530 56.386 54.840 0.027 0.000 0.757 407 L CB -0.683 41.427 42.059 0.084 0.000 0.899 407 L HN 0.431 nan 8.230 nan 0.000 0.434 408 E N -0.277 119.951 120.200 0.047 0.000 2.204 408 E HA -0.157 4.193 4.350 0.000 0.000 0.194 408 E C 2.296 178.913 176.600 0.028 0.000 0.989 408 E CA 0.689 57.115 56.400 0.043 0.000 0.824 408 E CB 0.121 29.857 29.700 0.061 0.000 0.756 408 E HN 0.427 nan 8.360 nan 0.000 0.477 409 R N -0.297 120.222 120.500 0.031 0.000 2.140 409 R HA 0.130 4.471 4.340 0.000 0.000 0.213 409 R C 2.043 178.321 176.300 -0.036 0.000 1.059 409 R CA 0.802 56.944 56.100 0.070 0.000 1.000 409 R CB 0.178 30.583 30.300 0.174 0.000 0.910 409 R HN 0.026 nan 8.270 nan 0.000 0.455 410 A N 0.548 123.194 122.820 -0.290 0.000 2.030 410 A HA 0.219 4.539 4.320 0.000 0.000 0.215 410 A C 0.932 178.285 177.584 -0.385 0.000 1.164 410 A CA 0.465 52.017 52.037 -0.808 0.000 0.697 410 A CB 0.375 18.754 19.000 -1.036 0.000 0.827 410 A HN 0.058 nan 8.150 nan 0.000 0.457 411 I N 0.733 121.198 120.570 -0.174 0.000 2.608 411 I HA 0.333 4.503 4.170 0.000 0.000 0.295 411 I C -0.101 175.996 176.117 -0.032 0.000 1.049 411 I CA -1.203 60.051 61.300 -0.077 0.000 1.063 411 I CB 2.103 40.081 38.000 -0.036 0.000 1.248 411 I HN 0.368 nan 8.210 nan 0.000 0.424 412 I N 0.380 120.941 120.570 -0.016 0.000 3.194 412 I HA 0.130 4.300 4.170 0.000 0.000 0.283 412 I C 0.721 176.836 176.117 -0.003 0.000 1.199 412 I CA -0.121 61.176 61.300 -0.005 0.000 1.328 412 I CB 0.368 38.366 38.000 -0.004 0.000 1.404 412 I HN 0.517 nan 8.210 nan 0.000 0.618 413 D N 1.468 121.869 120.400 0.001 0.000 2.092 413 D HA -0.122 4.518 4.640 0.000 0.000 0.193 413 D C 0.946 177.238 176.300 -0.012 0.000 0.994 413 D CA 2.325 56.325 54.000 0.000 0.000 0.828 413 D CB -0.354 40.448 40.800 0.003 0.000 0.963 413 D HN 0.857 nan 8.370 nan 0.000 0.450 414 T N -0.357 114.188 114.554 -0.016 0.000 3.327 414 T HA 0.392 4.742 4.350 0.000 0.000 0.373 414 T C -2.604 172.081 174.700 -0.024 0.000 1.589 414 T CA -1.609 60.476 62.100 -0.025 0.000 1.497 414 T CB 1.812 70.663 68.868 -0.027 0.000 1.032 414 T HN -0.111 nan 8.240 nan 0.000 0.640 415 P HA 0.306 nan 4.420 nan 0.000 0.271 415 P C -2.483 174.796 177.300 -0.034 0.000 1.233 415 P CA -1.161 61.923 63.100 -0.027 0.000 0.789 415 P CB 0.115 31.805 31.700 -0.017 0.000 0.951 416 P HA 0.049 nan 4.420 nan 0.000 0.276 416 P C 1.136 178.406 177.300 -0.050 0.000 1.261 416 P CA -0.313 62.758 63.100 -0.047 0.000 0.800 416 P CB 0.734 32.401 31.700 -0.055 0.000 1.066 417 V N 0.160 120.047 119.914 -0.045 0.000 2.332 417 V HA -0.172 3.948 4.120 0.000 0.000 0.248 417 V C 1.452 177.518 176.094 -0.047 0.000 1.055 417 V CA 1.753 64.029 62.300 -0.039 0.000 1.038 417 V CB -0.769 31.033 31.823 -0.034 0.000 0.651 417 V HN 0.369 nan 8.190 nan 0.000 0.450 418 L N -1.673 119.512 121.223 -0.064 0.000 2.319 418 L HA 0.387 4.727 4.340 0.000 0.000 0.267 418 L C 0.875 177.658 176.870 -0.146 0.000 1.011 418 L CA -0.520 54.270 54.840 -0.083 0.000 0.818 418 L CB 1.998 44.023 42.059 -0.056 0.000 1.316 418 L HN -0.187 nan 8.230 nan 0.000 0.432 419 V N 0.402 120.184 119.914 -0.220 0.000 3.052 419 V HA -0.068 4.052 4.120 0.000 0.000 0.254 419 V C 2.322 178.305 176.094 -0.184 0.000 1.100 419 V CA 0.816 62.922 62.300 -0.324 0.000 1.112 419 V CB -0.705 30.765 31.823 -0.589 0.000 0.738 419 V HN 0.855 nan 8.190 nan 0.000 0.469 420 R N 1.199 121.632 120.500 -0.110 0.000 2.185 420 R HA -0.224 4.116 4.340 0.000 0.000 0.247 420 R C 0.627 176.895 176.300 -0.053 0.000 1.159 420 R CA 2.129 58.197 56.100 -0.054 0.000 0.988 420 R CB -0.209 30.089 30.300 -0.002 0.000 0.871 420 R HN 0.468 nan 8.270 nan 0.000 0.458 421 D N 0.055 120.415 120.400 -0.066 0.000 2.559 421 D HA 0.204 4.844 4.640 0.000 0.000 0.234 421 D C 0.650 176.911 176.300 -0.065 0.000 1.226 421 D CA 0.723 54.689 54.000 -0.058 0.000 0.830 421 D CB 0.656 41.424 40.800 -0.053 0.000 1.028 421 D HN 0.477 nan 8.370 nan 0.000 0.492 422 G N 0.872 109.624 108.800 -0.080 0.000 2.692 422 G HA2 -0.065 3.895 3.960 0.000 0.000 0.248 422 G HA3 -0.065 3.895 3.960 0.000 0.000 0.248 422 G C 0.849 175.709 174.900 -0.066 0.000 1.340 422 G CA 0.190 45.246 45.100 -0.073 0.000 0.896 422 G HN 0.911 nan 8.290 nan 0.000 0.570 423 G N -3.412 105.361 108.800 -0.045 0.000 2.147 423 G HA2 0.038 3.998 3.960 0.000 0.000 0.244 423 G HA3 0.038 3.998 3.960 0.000 0.000 0.244 423 G C 0.945 175.821 174.900 -0.040 0.000 1.005 423 G CA 1.266 46.345 45.100 -0.034 0.000 0.713 423 G HN 1.811 nan 8.290 nan 0.000 0.515 424 V N 0.365 120.249 119.914 -0.050 0.000 2.806 424 V HA 0.315 4.435 4.120 0.000 0.000 0.239 424 V C 1.648 177.731 176.094 -0.017 0.000 1.113 424 V CA 0.623 62.893 62.300 -0.050 0.000 1.137 424 V CB 0.026 31.780 31.823 -0.116 0.000 0.865 424 V HN 0.372 nan 8.190 nan 0.000 0.482 425 I N 2.079 122.647 120.570 -0.003 0.000 2.517 425 I HA 0.274 4.444 4.170 0.000 0.000 0.285 425 I C 0.690 176.821 176.117 0.023 0.000 1.106 425 I CA 0.225 61.527 61.300 0.003 0.000 1.402 425 I CB 0.434 38.469 38.000 0.059 0.000 1.399 425 I HN 0.211 nan 8.210 nan 0.000 0.535 426 A N 5.921 128.746 122.820 0.008 0.000 2.366 426 A HA 0.378 4.698 4.320 0.000 0.000 0.249 426 A C 0.618 178.255 177.584 0.088 0.000 1.084 426 A CA -0.323 51.736 52.037 0.037 0.000 0.794 426 A CB 0.208 19.222 19.000 0.023 0.000 1.034 426 A HN 0.753 nan 8.150 nan 0.000 0.491 427 S N -0.282 115.462 115.700 0.073 0.000 2.576 427 S HA 0.476 4.946 4.470 0.000 0.000 0.276 427 S C 1.345 176.001 174.600 0.094 0.000 1.339 427 S CA 0.419 58.667 58.200 0.080 0.000 1.039 427 S CB 0.951 64.183 63.200 0.053 0.000 0.902 427 S HN 2.177 nan 8.310 nan 0.000 0.516 428 G N 0.721 109.575 108.800 0.091 0.000 2.234 428 G HA2 -0.332 3.628 3.960 0.000 0.000 0.235 428 G HA3 -0.332 3.628 3.960 0.000 0.000 0.235 428 G C 0.585 175.551 174.900 0.110 0.000 0.997 428 G CA 0.436 45.584 45.100 0.079 0.000 0.623 428 G HN 0.715 nan 8.290 nan 0.000 0.514 429 Y N 1.684 121.999 120.300 0.024 0.000 2.220 429 Y HA 0.237 4.788 4.550 0.000 0.000 0.291 429 Y C 1.113 177.029 175.900 0.026 0.000 1.129 429 Y CA 1.745 59.861 58.100 0.026 0.000 1.161 429 Y CB 0.368 38.846 38.460 0.030 0.000 0.997 429 Y HN 0.337 nan 8.280 nan 0.000 0.522 430 N N 0.329 119.020 118.700 -0.015 0.000 2.533 430 N HA 0.045 4.785 4.740 0.000 0.000 0.289 430 N C 0.239 175.748 175.510 -0.002 0.000 1.103 430 N CA 0.102 53.105 53.050 -0.079 0.000 0.877 430 N CB 1.248 39.721 38.487 -0.023 0.000 1.419 430 N HN 0.477 nan 8.380 nan 0.000 0.517 431 E N 2.160 122.343 120.200 -0.030 0.000 2.118 431 E HA -0.259 4.091 4.350 0.000 0.000 0.195 431 E C 0.968 177.555 176.600 -0.022 0.000 0.992 431 E CA 1.083 57.470 56.400 -0.023 0.000 0.804 431 E CB 0.129 29.806 29.700 -0.039 0.000 0.741 431 E HN 0.769 nan 8.360 nan 0.000 0.458 432 E N 1.264 121.462 120.200 -0.003 0.000 2.051 432 E HA -0.211 4.139 4.350 0.000 0.000 0.192 432 E C 2.292 178.956 176.600 0.107 0.000 0.991 432 E CA 0.833 57.235 56.400 0.002 0.000 0.799 432 E CB -0.103 29.654 29.700 0.096 0.000 0.748 432 E HN 0.234 nan 8.360 nan 0.000 0.449 433 L N 1.839 123.173 121.223 0.186 0.000 2.013 433 L HA -0.241 4.099 4.340 0.000 0.000 0.212 433 L C 1.685 178.660 176.870 0.176 0.000 1.073 433 L CA 2.420 57.406 54.840 0.243 0.000 0.753 433 L CB -0.609 41.552 42.059 0.170 0.000 0.890 433 L HN 0.127 nan 8.230 nan 0.000 0.432 434 D N -0.531 119.923 120.400 0.091 0.000 2.123 434 D HA -0.236 4.404 4.640 0.000 0.000 0.196 434 D C 2.113 178.424 176.300 0.019 0.000 0.992 434 D CA 1.468 55.500 54.000 0.054 0.000 0.833 434 D CB -0.121 40.696 40.800 0.030 0.000 0.954 434 D HN 0.601 nan 8.370 nan 0.000 0.455 435 E N -0.587 119.581 120.200 -0.053 0.000 2.077 435 E HA -0.179 4.171 4.350 0.000 0.000 0.193 435 E C 1.907 178.414 176.600 -0.154 0.000 0.989 435 E CA 0.927 57.227 56.400 -0.168 0.000 0.800 435 E CB -0.191 29.314 29.700 -0.325 0.000 0.746 435 E HN 0.430 nan 8.360 nan 0.000 0.452 436 W N 0.615 121.905 121.300 -0.017 0.000 2.402 436 W HA -0.032 4.628 4.660 0.000 0.000 0.286 436 W C 2.555 179.056 176.519 -0.030 0.000 1.221 436 W CA 0.432 57.761 57.345 -0.026 0.000 1.257 436 W CB 0.051 29.496 29.460 -0.024 0.000 1.120 436 W HN 0.016 nan 8.180 nan 0.000 0.551 437 R N 0.085 120.698 120.500 0.188 0.000 2.148 437 R HA -0.019 4.321 4.340 0.000 0.000 0.223 437 R C 2.302 178.638 176.300 0.060 0.000 1.088 437 R CA 0.888 57.050 56.100 0.104 0.000 0.985 437 R CB -0.662 29.685 30.300 0.079 0.000 0.880 437 R HN 0.144 nan 8.270 nan 0.000 0.451 438 A N 1.839 124.682 122.820 0.039 0.000 1.869 438 A HA -0.202 4.118 4.320 0.000 0.000 0.218 438 A C 1.952 179.549 177.584 0.021 0.000 1.203 438 A CA 1.440 53.486 52.037 0.014 0.000 0.638 438 A CB -0.573 18.416 19.000 -0.019 0.000 0.831 438 A HN 0.104 nan 8.150 nan 0.000 0.450 439 L N -0.801 120.432 121.223 0.016 0.000 2.187 439 L HA -0.135 4.205 4.340 0.000 0.000 0.213 439 L C 2.726 179.594 176.870 -0.004 0.000 1.100 439 L CA 1.855 56.695 54.840 -0.001 0.000 0.765 439 L CB -2.072 39.974 42.059 -0.022 0.000 0.904 439 L HN 0.476 nan 8.230 nan 0.000 0.437 440 A N -0.979 121.851 122.820 0.017 0.000 2.169 440 A HA -0.103 4.217 4.320 0.000 0.000 0.212 440 A C 1.583 179.182 177.584 0.025 0.000 1.153 440 A CA 0.982 53.024 52.037 0.008 0.000 0.756 440 A CB -0.370 18.639 19.000 0.015 0.000 0.813 440 A HN 0.369 nan 8.150 nan 0.000 0.471 441 D N -2.077 118.344 120.400 0.036 0.000 2.501 441 D HA 0.275 4.915 4.640 0.000 0.000 0.224 441 D C 1.420 177.752 176.300 0.054 0.000 1.202 441 D CA 0.624 54.648 54.000 0.040 0.000 0.829 441 D CB 0.128 40.947 40.800 0.031 0.000 1.023 441 D HN 0.226 nan 8.370 nan 0.000 0.499 442 G N -0.265 108.579 108.800 0.075 0.000 2.662 442 G HA2 0.066 4.026 3.960 0.000 0.000 0.212 442 G HA3 0.066 4.026 3.960 0.000 0.000 0.212 442 G C 1.671 176.655 174.900 0.139 0.000 1.141 442 G CA 0.475 45.636 45.100 0.102 0.000 0.797 442 G HN 0.275 nan 8.290 nan 0.000 0.531 443 A N 1.278 124.195 122.820 0.161 0.000 2.009 443 A HA -0.172 4.148 4.320 0.000 0.000 0.222 443 A C 2.531 180.184 177.584 0.115 0.000 1.175 443 A CA 2.665 54.813 52.037 0.186 0.000 0.651 443 A CB -1.151 17.953 19.000 0.174 0.000 0.815 443 A HN 0.351 nan 8.150 nan 0.000 0.459 444 T N 0.789 115.393 114.554 0.083 0.000 2.570 444 T HA -0.252 4.098 4.350 0.000 0.000 0.266 444 T C 1.444 176.170 174.700 0.044 0.000 1.071 444 T CA 1.994 64.127 62.100 0.055 0.000 1.172 444 T CB -0.729 68.164 68.868 0.042 0.000 0.864 444 T HN 0.869 nan 8.240 nan 0.000 0.421 445 D N -0.248 120.182 120.400 0.049 0.000 2.259 445 D HA 0.000 4.641 4.640 0.000 0.000 0.216 445 D C 1.959 178.257 176.300 -0.003 0.000 0.961 445 D CA 0.200 54.212 54.000 0.020 0.000 0.878 445 D CB -0.871 39.941 40.800 0.020 0.000 1.009 445 D HN 0.417 nan 8.370 nan 0.000 0.490 446 Y N 1.690 121.929 120.300 -0.101 0.000 2.053 446 Y HA -0.196 4.354 4.550 0.000 0.000 0.277 446 Y C 1.966 177.712 175.900 -0.255 0.000 1.159 446 Y CA 1.706 59.684 58.100 -0.203 0.000 1.125 446 Y CB -0.406 37.857 38.460 -0.329 0.000 0.969 446 Y HN -0.063 nan 8.280 nan 0.000 0.492 447 L N -0.097 121.140 121.223 0.022 0.000 2.083 447 L HA -0.192 4.148 4.340 0.000 0.000 0.209 447 L C 2.496 179.318 176.870 -0.080 0.000 1.083 447 L CA 1.854 56.675 54.840 -0.033 0.000 0.752 447 L CB -0.609 41.474 42.059 0.041 0.000 0.899 447 L HN 0.300 nan 8.230 nan 0.000 0.433 448 E N 0.330 120.496 120.200 -0.057 0.000 2.106 448 E HA -0.193 4.157 4.350 0.000 0.000 0.192 448 E C 2.358 178.900 176.600 -0.095 0.000 0.984 448 E CA 0.891 57.260 56.400 -0.051 0.000 0.806 448 E CB 0.158 29.843 29.700 -0.025 0.000 0.750 448 E HN 0.291 nan 8.360 nan 0.000 0.458 449 R N -0.153 120.252 120.500 -0.158 0.000 2.075 449 R HA -0.101 4.239 4.340 0.000 0.000 0.232 449 R C 2.487 178.649 176.300 -0.231 0.000 1.126 449 R CA 1.120 57.105 56.100 -0.192 0.000 0.963 449 R CB -0.349 29.808 30.300 -0.239 0.000 0.858 449 R HN 0.220 nan 8.270 nan 0.000 0.435 450 L N 1.538 122.556 121.223 -0.342 0.000 2.046 450 L HA -0.176 4.164 4.340 0.000 0.000 0.208 450 L C 2.163 178.955 176.870 -0.130 0.000 1.077 450 L CA 1.858 56.526 54.840 -0.286 0.000 0.747 450 L CB -0.417 41.434 42.059 -0.346 0.000 0.896 450 L HN 0.163 nan 8.230 nan 0.000 0.432 451 E N -0.948 119.195 120.200 -0.095 0.000 2.051 451 E HA -0.200 4.150 4.350 0.000 0.000 0.192 451 E C 2.013 178.598 176.600 -0.024 0.000 0.991 451 E CA 1.933 58.314 56.400 -0.031 0.000 0.799 451 E CB -0.065 29.627 29.700 -0.013 0.000 0.748 451 E HN 0.406 nan 8.360 nan 0.000 0.449 452 V N 0.997 120.885 119.914 -0.044 0.000 2.237 452 V HA -0.261 3.859 4.120 0.000 0.000 0.245 452 V C 2.619 178.692 176.094 -0.034 0.000 1.046 452 V CA 2.209 64.489 62.300 -0.033 0.000 1.007 452 V CB -0.738 31.060 31.823 -0.042 0.000 0.638 452 V HN 0.296 nan 8.190 nan 0.000 0.445 453 R N -0.001 120.465 120.500 -0.057 0.000 2.113 453 R HA -0.222 4.118 4.340 0.000 0.000 0.244 453 R C 2.307 178.592 176.300 -0.025 0.000 1.142 453 R CA 2.068 58.137 56.100 -0.052 0.000 0.953 453 R CB -0.214 30.035 30.300 -0.084 0.000 0.860 453 R HN 0.484 nan 8.270 nan 0.000 0.438 454 E N -0.188 120.006 120.200 -0.011 0.000 2.216 454 E HA -0.149 4.201 4.350 0.000 0.000 0.192 454 E C 1.931 178.555 176.600 0.039 0.000 0.988 454 E CA 0.642 57.065 56.400 0.038 0.000 0.834 454 E CB -0.109 29.642 29.700 0.085 0.000 0.772 454 E HN 0.369 nan 8.360 nan 0.000 0.479 455 R N 1.171 121.685 120.500 0.023 0.000 2.090 455 R HA -0.095 4.245 4.340 0.000 0.000 0.228 455 R C 1.875 178.175 176.300 0.001 0.000 1.110 455 R CA 1.255 57.366 56.100 0.020 0.000 0.973 455 R CB 0.157 30.468 30.300 0.018 0.000 0.869 455 R HN 0.112 nan 8.270 nan 0.000 0.440 456 E N -0.073 120.123 120.200 -0.007 0.000 2.046 456 E HA -0.189 4.161 4.350 0.000 0.000 0.190 456 E C 2.126 178.715 176.600 -0.019 0.000 0.982 456 E CA 0.859 57.250 56.400 -0.014 0.000 0.800 456 E CB -0.142 29.547 29.700 -0.017 0.000 0.756 456 E HN 0.257 nan 8.360 nan 0.000 0.449 457 R N 0.711 121.201 120.500 -0.018 0.000 2.091 457 R HA -0.139 4.201 4.340 0.000 0.000 0.238 457 R C 2.385 178.660 176.300 -0.041 0.000 1.136 457 R CA 2.032 58.118 56.100 -0.024 0.000 0.959 457 R CB -0.205 30.086 30.300 -0.015 0.000 0.856 457 R HN 0.276 nan 8.270 nan 0.000 0.437 458 T N -3.998 110.529 114.554 -0.046 0.000 3.054 458 T HA 0.150 4.500 4.350 0.000 0.000 0.259 458 T C 1.388 176.045 174.700 -0.072 0.000 1.092 458 T CA 0.623 62.673 62.100 -0.084 0.000 1.121 458 T CB 0.296 69.098 68.868 -0.109 0.000 0.912 458 T HN 0.420 nan 8.240 nan 0.000 0.489 459 G N 1.525 110.298 108.800 -0.045 0.000 2.153 459 G HA2 -0.212 3.748 3.960 0.000 0.000 0.252 459 G HA3 -0.212 3.748 3.960 0.000 0.000 0.252 459 G C -0.057 174.821 174.900 -0.036 0.000 0.994 459 G CA 0.275 45.353 45.100 -0.038 0.000 0.698 459 G HN 0.645 nan 8.290 nan 0.000 0.521 460 L N 1.476 122.679 121.223 -0.035 0.000 2.270 460 L HA 0.323 4.663 4.340 0.000 0.000 0.286 460 L C 1.426 178.299 176.870 0.005 0.000 1.059 460 L CA -0.332 54.493 54.840 -0.023 0.000 0.839 460 L CB 1.031 43.069 42.059 -0.035 0.000 1.221 460 L HN 0.290 nan 8.230 nan 0.000 0.431 461 D N -0.090 120.314 120.400 0.007 0.000 2.264 461 D HA -0.186 4.454 4.640 0.000 0.000 0.208 461 D C 1.645 177.964 176.300 0.030 0.000 0.966 461 D CA 1.371 55.381 54.000 0.016 0.000 0.864 461 D CB -0.107 40.700 40.800 0.011 0.000 0.933 461 D HN 0.550 nan 8.370 nan 0.000 0.499 462 T N -1.750 112.827 114.554 0.038 0.000 3.113 462 T HA 0.001 4.351 4.350 0.000 0.000 0.263 462 T C 1.094 175.839 174.700 0.075 0.000 1.143 462 T CA -0.453 61.679 62.100 0.053 0.000 1.090 462 T CB -0.711 68.191 68.868 0.056 0.000 0.922 462 T HN 0.208 nan 8.240 nan 0.000 0.521 463 L N 1.601 122.870 121.223 0.077 0.000 2.540 463 L HA 0.238 4.578 4.340 0.000 0.000 0.276 463 L C -0.226 176.706 176.870 0.104 0.000 1.212 463 L CA 0.456 55.361 54.840 0.108 0.000 0.893 463 L CB 0.192 42.313 42.059 0.103 0.000 1.138 463 L HN 0.218 nan 8.230 nan 0.000 0.491 464 K N 3.518 124.000 120.400 0.138 0.000 2.508 464 K HA 0.544 4.865 4.320 0.000 0.000 0.260 464 K C -1.597 175.088 176.600 0.141 0.000 0.949 464 K CA -0.890 55.471 56.287 0.123 0.000 0.834 464 K CB 2.534 35.113 32.500 0.132 0.000 1.365 464 K HN 0.249 nan 8.250 nan 0.000 0.437 465 V N 1.688 121.644 119.914 0.071 0.000 2.398 465 V HA 0.665 4.785 4.120 0.000 0.000 0.286 465 V C 0.233 176.262 176.094 -0.109 0.000 1.026 465 V CA -0.344 61.959 62.300 0.005 0.000 0.868 465 V CB 1.274 33.102 31.823 0.008 0.000 0.982 465 V HN 0.965 nan 8.190 nan 0.000 0.443 466 G N 3.022 111.507 108.800 -0.525 0.000 2.949 466 G HA2 0.743 4.703 3.960 0.000 0.000 0.285 466 G HA3 0.743 4.703 3.960 0.000 0.000 0.285 466 G C -1.971 172.409 174.900 -0.867 0.000 1.395 466 G CA -0.590 44.106 45.100 -0.673 0.000 0.901 466 G HN 0.464 nan 8.290 nan 0.000 0.519 467 F N 0.938 120.554 119.950 -0.557 0.000 2.551 467 F HA 0.683 5.210 4.527 0.000 0.000 0.316 467 F C -0.798 174.968 175.800 -0.056 0.000 1.089 467 F CA -1.171 56.561 58.000 -0.445 0.000 0.915 467 F CB 2.349 40.983 39.000 -0.610 0.000 1.186 467 F HN 0.416 nan 8.300 nan 0.000 0.456 468 N N 4.164 122.248 118.700 -1.027 0.000 2.480 468 N HA 0.350 5.090 4.740 0.000 0.000 0.289 468 N C 0.051 174.900 175.510 -1.102 0.000 1.073 468 N CA 0.202 52.874 53.050 -0.630 0.000 0.885 468 N CB 2.180 40.627 38.487 -0.065 0.000 1.421 468 N HN 0.861 nan 8.380 nan 0.000 0.503 469 A N 3.091 125.473 122.820 -0.730 0.000 1.940 469 A HA -0.089 4.231 4.320 0.000 0.000 0.219 469 A C 1.758 179.180 177.584 -0.271 0.000 1.176 469 A CA 1.688 53.505 52.037 -0.366 0.000 0.631 469 A CB -0.245 18.736 19.000 -0.031 0.000 0.814 469 A HN 0.480 nan 8.150 nan 0.000 0.446 470 V N -1.004 118.736 119.914 -0.290 0.000 2.488 470 V HA -0.119 4.001 4.120 0.000 0.000 0.246 470 V C 2.023 177.827 176.094 -0.484 0.000 1.046 470 V CA 1.755 63.831 62.300 -0.375 0.000 1.053 470 V CB -0.775 30.774 31.823 -0.457 0.000 0.679 470 V HN 0.703 nan 8.190 nan 0.000 0.458 471 H N -0.921 118.044 119.070 -0.174 0.000 2.874 471 H HA 0.440 4.996 4.556 0.000 0.000 0.264 471 H C 1.221 176.491 175.328 -0.097 0.000 1.007 471 H CA 0.913 56.892 56.048 -0.114 0.000 1.207 471 H CB 1.133 30.834 29.762 -0.103 0.000 1.487 471 H HN 0.484 nan 8.280 nan 0.000 0.505 472 G N 0.670 109.368 108.800 -0.169 0.000 2.548 472 G HA2 -0.237 3.723 3.960 0.000 0.000 0.208 472 G HA3 -0.237 3.723 3.960 0.000 0.000 0.208 472 G C -1.033 173.820 174.900 -0.079 0.000 1.308 472 G CA -0.745 44.285 45.100 -0.117 0.000 0.924 472 G HN 0.206 nan 8.290 nan 0.000 0.540 473 Y N 0.505 120.940 120.300 0.224 0.000 2.379 473 Y HA 0.548 5.098 4.550 0.000 0.000 0.337 473 Y C 0.963 176.951 175.900 0.146 0.000 1.238 473 Y CA 1.416 59.627 58.100 0.184 0.000 1.405 473 Y CB 0.852 39.459 38.460 0.245 0.000 1.310 473 Y HN 0.860 nan 8.280 nan 0.000 0.569 474 Y N -1.219 119.232 120.300 0.251 0.000 2.656 474 Y HA 0.710 5.260 4.550 0.000 0.000 0.334 474 Y C -1.798 174.172 175.900 0.116 0.000 1.179 474 Y CA -2.226 55.952 58.100 0.129 0.000 1.050 474 Y CB 0.722 39.209 38.460 0.044 0.000 1.308 474 Y HN 0.367 nan 8.280 nan 0.000 0.456 475 I N 2.637 123.422 120.570 0.357 0.000 2.378 475 I HA 0.361 4.531 4.170 0.000 0.000 0.291 475 I C -0.672 175.699 176.117 0.424 0.000 0.992 475 I CA -0.719 60.754 61.300 0.288 0.000 1.154 475 I CB 1.888 39.926 38.000 0.064 0.000 1.315 475 I HN 0.681 nan 8.210 nan 0.000 0.448 476 Q N 7.150 127.191 119.800 0.402 0.000 2.316 476 Q HA 0.681 5.021 4.340 0.000 0.000 0.264 476 Q C -1.572 174.581 176.000 0.254 0.000 0.987 476 Q CA -0.594 55.381 55.803 0.286 0.000 0.852 476 Q CB 2.004 30.886 28.738 0.239 0.000 1.287 476 Q HN 0.612 nan 8.270 nan 0.000 0.448 477 I N 2.320 123.047 120.570 0.261 0.000 2.608 477 I HA 0.264 4.434 4.170 0.000 0.000 0.295 477 I C 0.142 176.347 176.117 0.148 0.000 1.049 477 I CA -0.891 60.534 61.300 0.209 0.000 1.063 477 I CB 2.245 40.393 38.000 0.246 0.000 1.248 477 I HN 0.753 nan 8.210 nan 0.000 0.424 478 S N 4.891 120.652 115.700 0.102 0.000 2.569 478 S HA 0.052 4.522 4.470 0.000 0.000 0.274 478 S C 1.224 175.875 174.600 0.086 0.000 1.353 478 S CA -0.094 58.151 58.200 0.074 0.000 1.023 478 S CB 0.847 64.083 63.200 0.060 0.000 0.876 478 S HN 0.817 nan 8.310 nan 0.000 0.540 479 R N 1.548 122.085 120.500 0.062 0.000 2.105 479 R HA -0.069 4.271 4.340 0.000 0.000 0.239 479 R C 2.299 178.660 176.300 0.103 0.000 1.135 479 R CA 1.752 57.893 56.100 0.068 0.000 0.967 479 R CB -1.276 29.044 30.300 0.034 0.000 0.861 479 R HN 0.876 nan 8.270 nan 0.000 0.442 480 G N -0.194 108.662 108.800 0.093 0.000 2.408 480 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 480 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 480 G C 1.116 176.142 174.900 0.209 0.000 1.150 480 G CA 0.479 45.653 45.100 0.123 0.000 0.776 480 G HN 0.427 nan 8.290 nan 0.000 0.542 481 Q N 0.447 120.323 119.800 0.126 0.000 2.319 481 Q HA 0.073 4.413 4.340 0.000 0.000 0.202 481 Q C 2.638 178.632 176.000 -0.010 0.000 0.896 481 Q CA 0.533 56.353 55.803 0.028 0.000 0.942 481 Q CB 0.401 29.140 28.738 0.002 0.000 1.083 481 Q HN 0.605 nan 8.270 nan 0.000 0.510 482 S N 1.205 116.983 115.700 0.130 0.000 2.382 482 S HA -0.214 4.256 4.470 0.000 0.000 0.228 482 S C 1.893 176.559 174.600 0.110 0.000 1.027 482 S CA 1.357 59.655 58.200 0.162 0.000 0.991 482 S CB -0.640 62.698 63.200 0.230 0.000 0.823 482 S HN 0.600 nan 8.310 nan 0.000 0.469 483 H N 1.391 120.484 119.070 0.039 0.000 2.560 483 H HA 0.165 4.721 4.556 0.000 0.000 0.283 483 H C 1.497 176.809 175.328 -0.026 0.000 1.028 483 H CA 0.871 56.927 56.048 0.014 0.000 1.221 483 H CB -0.536 29.232 29.762 0.011 0.000 1.363 483 H HN 0.455 nan 8.280 nan 0.000 0.594 484 L N 0.716 121.641 121.223 -0.497 0.000 2.607 484 L HA 0.347 4.687 4.340 0.000 0.000 0.228 484 L C 1.330 178.016 176.870 -0.307 0.000 1.123 484 L CA -0.041 54.547 54.840 -0.420 0.000 0.890 484 L CB 0.098 41.890 42.059 -0.445 0.000 1.103 484 L HN 0.191 nan 8.230 nan 0.000 0.468 485 A N 0.759 123.395 122.820 -0.307 0.000 2.466 485 A HA 0.352 4.673 4.320 0.000 0.000 0.238 485 A C -2.104 175.171 177.584 -0.515 0.000 1.074 485 A CA -0.876 50.863 52.037 -0.497 0.000 0.774 485 A CB -0.502 18.119 19.000 -0.631 0.000 1.015 485 A HN -0.028 nan 8.150 nan 0.000 0.498 486 P HA 0.010 nan 4.420 nan 0.000 0.266 486 P C 0.891 178.005 177.300 -0.309 0.000 1.195 486 P CA -0.389 62.405 63.100 -0.510 0.000 0.768 486 P CB 0.311 31.632 31.700 -0.631 0.000 0.838 487 I N 2.343 122.822 120.570 -0.152 0.000 2.567 487 I HA -0.195 3.975 4.170 0.000 0.000 0.257 487 I C 1.660 177.780 176.117 0.005 0.000 1.184 487 I CA 1.556 62.822 61.300 -0.058 0.000 1.451 487 I CB -1.204 36.774 38.000 -0.037 0.000 1.089 487 I HN 0.514 nan 8.210 nan 0.000 0.441 488 N N -1.101 117.610 118.700 0.018 0.000 2.459 488 N HA -0.134 4.606 4.740 0.000 0.000 0.181 488 N C 0.420 176.063 175.510 0.222 0.000 1.046 488 N CA 0.065 53.177 53.050 0.104 0.000 0.904 488 N CB 0.263 38.813 38.487 0.106 0.000 0.964 488 N HN 0.040 nan 8.380 nan 0.000 0.444 492 R N 1.807 122.223 120.500 -0.139 0.000 2.428 492 R HA 0.269 4.610 4.340 0.000 0.000 0.193 492 R C -0.526 175.638 176.300 -0.226 0.000 0.852 492 R CA 0.199 56.236 56.100 -0.105 0.000 1.055 492 R CB 0.865 31.144 30.300 -0.034 0.000 1.343 492 R HN 0.552 nan 8.270 nan 0.000 0.655 493 Q N 1.101 120.689 119.800 -0.352 0.000 2.263 493 Q HA 0.261 4.601 4.340 0.000 0.000 0.262 493 Q C -1.741 174.016 176.000 -0.405 0.000 0.984 493 Q CA -0.467 55.049 55.803 -0.479 0.000 0.813 493 Q CB 2.558 30.852 28.738 -0.739 0.000 1.299 493 Q HN 0.116 nan 8.270 nan 0.000 0.428 494 T N 4.023 118.390 114.554 -0.311 0.000 2.837 494 T HA 0.564 4.914 4.350 0.000 0.000 0.285 494 T C -0.429 174.152 174.700 -0.199 0.000 0.984 494 T CA -0.188 61.772 62.100 -0.233 0.000 1.049 494 T CB 0.581 69.353 68.868 -0.159 0.000 0.947 494 T HN 0.403 nan 8.240 nan 0.000 0.472 495 L N 1.903 123.026 121.223 -0.167 0.000 2.211 495 L HA 0.569 4.909 4.340 0.000 0.000 0.259 495 L C 1.751 178.573 176.870 -0.081 0.000 1.031 495 L CA -0.765 53.999 54.840 -0.125 0.000 0.877 495 L CB 0.709 42.687 42.059 -0.136 0.000 1.457 495 L HN 0.459 nan 8.230 nan 0.000 0.466 496 K N -0.102 120.263 120.400 -0.059 0.000 2.057 496 K HA -0.000 4.320 4.320 0.000 0.000 0.206 496 K C 0.295 176.877 176.600 -0.029 0.000 1.050 496 K CA 1.579 57.843 56.287 -0.039 0.000 0.935 496 K CB 0.152 32.635 32.500 -0.029 0.000 0.715 496 K HN 0.546 nan 8.250 nan 0.000 0.439 497 N N -0.693 117.990 118.700 -0.028 0.000 2.299 497 N HA 0.194 4.934 4.740 0.000 0.000 0.246 497 N C -1.216 174.290 175.510 -0.007 0.000 1.254 497 N CA 0.090 53.133 53.050 -0.011 0.000 0.879 497 N CB 1.851 40.336 38.487 -0.003 0.000 1.214 497 N HN 0.099 nan 8.380 nan 0.000 0.510 498 A N 0.279 123.080 122.820 -0.030 0.000 2.606 498 A HA 0.679 4.999 4.320 0.000 0.000 0.293 498 A C -1.558 175.978 177.584 -0.081 0.000 1.082 498 A CA -0.431 51.587 52.037 -0.031 0.000 0.685 498 A CB 2.200 21.175 19.000 -0.042 0.000 1.284 498 A HN -0.000 nan 8.150 nan 0.000 0.408 499 E N 0.241 120.399 120.200 -0.071 0.000 2.234 499 E HA 0.619 4.969 4.350 0.000 0.000 0.266 499 E C -0.873 175.515 176.600 -0.353 0.000 0.877 499 E CA -0.304 55.959 56.400 -0.228 0.000 0.758 499 E CB 1.321 30.940 29.700 -0.135 0.000 1.170 499 E HN 0.541 nan 8.360 nan 0.000 0.415 500 R N 2.927 123.104 120.500 -0.540 0.000 2.532 500 R HA 0.563 4.903 4.340 0.000 0.000 0.295 500 R C -0.925 175.058 176.300 -0.527 0.000 0.968 500 R CA -0.652 55.198 56.100 -0.417 0.000 0.916 500 R CB 1.230 31.232 30.300 -0.498 0.000 1.124 500 R HN 0.501 nan 8.270 nan 0.000 0.463 501 Y N 1.053 121.377 120.300 0.040 0.000 2.605 501 Y HA 0.557 5.107 4.550 0.000 0.000 0.343 501 Y C -0.537 175.351 175.900 -0.020 0.000 1.036 501 Y CA -1.195 56.912 58.100 0.011 0.000 1.065 501 Y CB 1.614 40.085 38.460 0.018 0.000 1.288 501 Y HN 0.372 nan 8.280 nan 0.000 0.481 502 I N 2.783 123.433 120.570 0.134 0.000 2.785 502 I HA 0.661 4.832 4.170 0.000 0.000 0.302 502 I C -1.116 174.995 176.117 -0.010 0.000 1.069 502 I CA -1.335 60.004 61.300 0.064 0.000 1.045 502 I CB 1.647 39.710 38.000 0.105 0.000 1.236 502 I HN 0.544 nan 8.210 nan 0.000 0.429 503 I N 3.461 124.010 120.570 -0.034 0.000 3.042 503 I HA 0.645 4.815 4.170 0.000 0.000 0.310 503 I C -2.319 173.817 176.117 0.032 0.000 1.117 503 I CA -2.130 59.158 61.300 -0.020 0.000 1.003 503 I CB 1.670 39.624 38.000 -0.077 0.000 1.228 503 I HN 0.287 nan 8.210 nan 0.000 0.443 504 P HA -0.195 nan 4.420 nan 0.000 0.216 504 P C 1.304 178.641 177.300 0.061 0.000 1.153 504 P CA 1.427 64.558 63.100 0.052 0.000 0.858 504 P CB 0.143 31.872 31.700 0.049 0.000 0.789 505 E N -0.525 119.715 120.200 0.066 0.000 2.110 505 E HA -0.172 4.178 4.350 0.000 0.000 0.193 505 E C 1.889 178.564 176.600 0.125 0.000 0.988 505 E CA 0.812 57.270 56.400 0.097 0.000 0.804 505 E CB -0.453 29.306 29.700 0.098 0.000 0.745 505 E HN 0.179 nan 8.360 nan 0.000 0.458 506 L N 0.535 121.819 121.223 0.101 0.000 2.131 506 L HA -0.102 4.239 4.340 0.000 0.000 0.206 506 L C 2.653 179.588 176.870 0.109 0.000 1.087 506 L CA 0.986 55.893 54.840 0.110 0.000 0.767 506 L CB -0.176 41.937 42.059 0.090 0.000 0.917 506 L HN 0.089 nan 8.230 nan 0.000 0.441 507 K N 0.083 120.541 120.400 0.097 0.000 2.097 507 K HA -0.259 4.061 4.320 0.000 0.000 0.205 507 K C 1.970 178.605 176.600 0.058 0.000 1.050 507 K CA 1.580 57.923 56.287 0.093 0.000 0.938 507 K CB 0.024 32.572 32.500 0.080 0.000 0.718 507 K HN 0.324 nan 8.250 nan 0.000 0.442 508 E N -0.431 119.799 120.200 0.050 0.000 2.106 508 E HA -0.242 4.108 4.350 0.000 0.000 0.192 508 E C 1.877 178.462 176.600 -0.025 0.000 0.984 508 E CA 1.033 57.446 56.400 0.022 0.000 0.806 508 E CB -0.221 29.502 29.700 0.037 0.000 0.750 508 E HN 0.420 nan 8.360 nan 0.000 0.458 509 Y N 1.758 121.947 120.300 -0.184 0.000 2.163 509 Y HA -0.197 4.353 4.550 0.000 0.000 0.288 509 Y C 2.252 177.953 175.900 -0.332 0.000 1.136 509 Y CA 2.289 60.166 58.100 -0.371 0.000 1.147 509 Y CB -0.369 37.702 38.460 -0.649 0.000 0.987 509 Y HN 0.126 nan 8.280 nan 0.000 0.509 510 E N -0.044 120.006 120.200 -0.250 0.000 2.049 510 E HA -0.297 4.053 4.350 0.000 0.000 0.198 510 E C 1.903 178.450 176.600 -0.088 0.000 1.007 510 E CA 1.824 58.149 56.400 -0.125 0.000 0.809 510 E CB -0.392 29.449 29.700 0.235 0.000 0.749 510 E HN 0.528 nan 8.360 nan 0.000 0.450 511 D N 0.546 120.917 120.400 -0.049 0.000 2.133 511 D HA -0.221 4.419 4.640 0.000 0.000 0.192 511 D C 2.057 178.310 176.300 -0.078 0.000 1.001 511 D CA 2.172 56.153 54.000 -0.032 0.000 0.844 511 D CB -0.112 40.680 40.800 -0.013 0.000 0.944 511 D HN 0.432 nan 8.370 nan 0.000 0.447 512 K N 0.174 120.485 120.400 -0.148 0.000 2.243 512 K HA 0.032 4.352 4.320 0.000 0.000 0.201 512 K C 1.923 178.400 176.600 -0.204 0.000 1.051 512 K CA 0.384 56.586 56.287 -0.142 0.000 0.970 512 K CB -0.240 32.178 32.500 -0.137 0.000 0.755 512 K HN -0.106 nan 8.250 nan 0.000 0.465 513 V N 1.135 120.816 119.914 -0.388 0.000 3.305 513 V HA 0.019 4.139 4.120 0.000 0.000 0.269 513 V C 1.444 177.426 176.094 -0.187 0.000 1.157 513 V CA 1.048 63.098 62.300 -0.416 0.000 1.157 513 V CB -0.232 31.096 31.823 -0.824 0.000 0.772 513 V HN 0.395 nan 8.190 nan 0.000 0.498 514 L N -1.243 119.911 121.223 -0.115 0.000 2.577 514 L HA 0.055 4.395 4.340 0.000 0.000 0.225 514 L C 2.496 179.326 176.870 -0.067 0.000 1.053 514 L CA 1.087 55.891 54.840 -0.059 0.000 0.866 514 L CB -0.337 41.725 42.059 0.005 0.000 1.132 514 L HN 0.390 nan 8.230 nan 0.000 0.486 515 T N -2.041 112.474 114.554 -0.064 0.000 2.821 515 T HA -0.165 4.185 4.350 0.000 0.000 0.267 515 T C 2.082 176.717 174.700 -0.108 0.000 1.046 515 T CA 1.411 63.468 62.100 -0.072 0.000 1.139 515 T CB -0.462 68.385 68.868 -0.035 0.000 0.871 515 T HN 0.379 nan 8.240 nan 0.000 0.454 516 S N 2.109 117.789 115.700 -0.033 0.000 2.345 516 S HA -0.084 4.386 4.470 0.000 0.000 0.220 516 S C 2.108 176.665 174.600 -0.072 0.000 1.031 516 S CA 0.887 59.118 58.200 0.052 0.000 0.996 516 S CB -0.559 62.764 63.200 0.204 0.000 0.882 516 S HN 0.466 nan 8.310 nan 0.000 0.445 517 K N 1.123 121.483 120.400 -0.067 0.000 2.113 517 K HA -0.083 4.237 4.320 0.000 0.000 0.208 517 K C 2.272 178.796 176.600 -0.125 0.000 1.047 517 K CA 1.321 57.561 56.287 -0.079 0.000 0.928 517 K CB -0.815 31.637 32.500 -0.079 0.000 0.716 517 K HN 0.602 nan 8.250 nan 0.000 0.446 518 G N 1.205 109.910 108.800 -0.158 0.000 2.394 518 G HA2 -0.205 3.755 3.960 0.000 0.000 0.215 518 G HA3 -0.205 3.755 3.960 0.000 0.000 0.215 518 G C 1.360 176.090 174.900 -0.284 0.000 1.165 518 G CA 0.403 45.394 45.100 -0.181 0.000 0.784 518 G HN 0.100 nan 8.290 nan 0.000 0.535 519 K N 0.946 121.063 120.400 -0.472 0.000 2.097 519 K HA 0.076 4.396 4.320 0.000 0.000 0.205 519 K C 2.810 179.025 176.600 -0.642 0.000 1.050 519 K CA 1.084 56.883 56.287 -0.814 0.000 0.938 519 K CB -0.499 30.893 32.500 -1.846 0.000 0.718 519 K HN 0.272 nan 8.250 nan 0.000 0.442 520 A N 1.001 123.593 122.820 -0.380 0.000 1.969 520 A HA -0.104 4.216 4.320 0.000 0.000 0.218 520 A C 2.184 179.708 177.584 -0.100 0.000 1.169 520 A CA 0.929 52.888 52.037 -0.131 0.000 0.635 520 A CB -0.354 18.654 19.000 0.013 0.000 0.810 520 A HN 0.177 nan 8.150 nan 0.000 0.445 521 L N -0.568 120.581 121.223 -0.123 0.000 2.044 521 L HA 0.071 4.411 4.340 0.000 0.000 0.205 521 L C 2.752 179.567 176.870 -0.091 0.000 1.075 521 L CA 1.821 56.606 54.840 -0.091 0.000 0.747 521 L CB -0.640 41.367 42.059 -0.088 0.000 0.903 521 L HN 0.326 nan 8.230 nan 0.000 0.435 522 A N -0.665 122.078 122.820 -0.128 0.000 1.858 522 A HA -0.223 4.097 4.320 0.000 0.000 0.216 522 A C 2.220 179.756 177.584 -0.080 0.000 1.190 522 A CA 1.984 53.956 52.037 -0.108 0.000 0.617 522 A CB -1.110 17.805 19.000 -0.142 0.000 0.827 522 A HN 0.415 nan 8.150 nan 0.000 0.443 523 L N 0.114 121.275 121.223 -0.103 0.000 2.042 523 L HA -0.198 4.142 4.340 0.000 0.000 0.210 523 L C 2.274 179.153 176.870 0.015 0.000 1.076 523 L CA 2.657 57.478 54.840 -0.032 0.000 0.749 523 L CB -0.774 41.283 42.059 -0.003 0.000 0.893 523 L HN 0.618 nan 8.230 nan 0.000 0.432 524 E N -0.655 119.549 120.200 0.007 0.000 2.058 524 E HA -0.289 4.061 4.350 0.000 0.000 0.194 524 E C 2.134 178.755 176.600 0.034 0.000 0.997 524 E CA 1.644 58.062 56.400 0.030 0.000 0.801 524 E CB -0.017 29.683 29.700 -0.000 0.000 0.746 524 E HN 0.495 nan 8.360 nan 0.000 0.450 525 K N 0.162 120.563 120.400 0.002 0.000 2.148 525 K HA -0.169 4.151 4.320 0.000 0.000 0.204 525 K C 2.281 178.905 176.600 0.041 0.000 1.050 525 K CA 1.092 57.389 56.287 0.017 0.000 0.942 525 K CB -0.066 32.428 32.500 -0.010 0.000 0.724 525 K HN 0.172 nan 8.250 nan 0.000 0.446 526 Q N 1.098 120.913 119.800 0.024 0.000 2.046 526 Q HA -0.140 4.200 4.340 0.000 0.000 0.200 526 Q C 2.035 178.053 176.000 0.029 0.000 0.975 526 Q CA 1.241 57.057 55.803 0.022 0.000 0.836 526 Q CB 0.000 28.749 28.738 0.018 0.000 0.896 526 Q HN 0.311 nan 8.270 nan 0.000 0.428 527 L N -0.209 121.054 121.223 0.066 0.000 2.131 527 L HA -0.192 4.148 4.340 0.000 0.000 0.210 527 L C 2.386 179.280 176.870 0.039 0.000 1.092 527 L CA 1.139 56.045 54.840 0.108 0.000 0.759 527 L CB -0.535 41.648 42.059 0.207 0.000 0.903 527 L HN 0.327 nan 8.230 nan 0.000 0.435 528 Y N 0.974 121.196 120.300 -0.129 0.000 2.184 528 Y HA -0.171 4.379 4.550 0.000 0.000 0.290 528 Y C 2.626 178.215 175.900 -0.519 0.000 1.129 528 Y CA 1.368 59.304 58.100 -0.273 0.000 1.144 528 Y CB 0.083 38.405 38.460 -0.229 0.000 0.995 528 Y HN 0.090 nan 8.280 nan 0.000 0.513 529 E N 0.295 120.307 120.200 -0.313 0.000 2.265 529 E HA -0.225 4.125 4.350 0.000 0.000 0.196 529 E C 1.884 178.299 176.600 -0.308 0.000 0.996 529 E CA 1.142 57.291 56.400 -0.418 0.000 0.832 529 E CB -0.147 29.513 29.700 -0.065 0.000 0.756 529 E HN 0.674 nan 8.360 nan 0.000 0.491 530 E N 0.086 120.171 120.200 -0.192 0.000 2.158 530 E HA -0.114 4.236 4.350 0.000 0.000 0.191 530 E C 1.797 178.342 176.600 -0.093 0.000 0.982 530 E CA 0.072 56.428 56.400 -0.074 0.000 0.823 530 E CB 0.163 29.866 29.700 0.005 0.000 0.766 530 E HN 0.029 nan 8.360 nan 0.000 0.468 531 L N 0.342 121.421 121.223 -0.241 0.000 2.127 531 L HA -0.188 4.152 4.340 0.000 0.000 0.211 531 L C 1.865 178.707 176.870 -0.046 0.000 1.089 531 L CA 1.473 56.193 54.840 -0.201 0.000 0.757 531 L CB -0.690 41.128 42.059 -0.403 0.000 0.899 531 L HN 0.214 nan 8.230 nan 0.000 0.434 532 F N -0.041 119.829 119.950 -0.134 0.000 2.146 532 F HA -0.162 4.365 4.527 0.000 0.000 0.298 532 F C 2.370 178.145 175.800 -0.041 0.000 1.096 532 F CA 0.802 58.745 58.000 -0.096 0.000 1.275 532 F CB -1.170 37.773 39.000 -0.094 0.000 1.008 532 F HN 0.204 nan 8.300 nan 0.000 0.480 533 D N 0.056 120.550 120.400 0.156 0.000 2.219 533 D HA -0.096 4.545 4.640 0.000 0.000 0.205 533 D C 2.390 178.734 176.300 0.073 0.000 0.970 533 D CA 0.888 54.943 54.000 0.093 0.000 0.851 533 D CB -0.290 40.548 40.800 0.064 0.000 0.943 533 D HN 0.279 nan 8.370 nan 0.000 0.488 534 L N -0.222 121.053 121.223 0.087 0.000 2.307 534 L HA 0.058 4.398 4.340 0.000 0.000 0.211 534 L C 2.324 179.287 176.870 0.155 0.000 1.099 534 L CA 0.260 55.163 54.840 0.106 0.000 0.816 534 L CB 0.011 42.137 42.059 0.112 0.000 0.952 534 L HN -0.035 nan 8.230 nan 0.000 0.455 535 L N -1.195 120.119 121.223 0.152 0.000 2.162 535 L HA -0.109 4.231 4.340 0.000 0.000 0.205 535 L C 2.356 179.306 176.870 0.133 0.000 1.086 535 L CA 0.261 55.211 54.840 0.184 0.000 0.778 535 L CB -0.239 41.912 42.059 0.154 0.000 0.928 535 L HN 0.155 nan 8.230 nan 0.000 0.446 536 L N 0.690 121.957 121.223 0.073 0.000 2.043 536 L HA -0.167 4.173 4.340 0.000 0.000 0.212 536 L C -0.250 176.608 176.870 -0.021 0.000 1.075 536 L CA 2.242 57.095 54.840 0.021 0.000 0.752 536 L CB -1.981 40.087 42.059 0.015 0.000 0.891 536 L HN 0.184 nan 8.230 nan 0.000 0.432 537 P HA -0.177 nan 4.420 nan 0.000 0.223 537 P C 0.655 177.780 177.300 -0.292 0.000 1.144 537 P CA 1.632 64.597 63.100 -0.224 0.000 0.783 537 P CB -0.189 31.303 31.700 -0.348 0.000 0.771 538 H N -2.142 116.965 119.070 0.062 0.000 2.586 538 H HA 0.138 4.694 4.556 0.000 0.000 0.273 538 H C 1.780 177.146 175.328 0.063 0.000 0.997 538 H CA -0.501 55.596 56.048 0.081 0.000 1.177 538 H CB -0.140 29.682 29.762 0.100 0.000 1.471 538 H HN -0.070 nan 8.280 nan 0.000 0.538 539 L N 1.535 122.821 121.223 0.105 0.000 2.010 539 L HA -0.264 4.076 4.340 0.000 0.000 0.219 539 L C 2.272 179.196 176.870 0.089 0.000 1.077 539 L CA 1.993 56.876 54.840 0.071 0.000 0.773 539 L CB -0.447 41.640 42.059 0.047 0.000 0.892 539 L HN 0.368 nan 8.230 nan 0.000 0.436 540 E N -1.069 119.193 120.200 0.102 0.000 2.058 540 E HA -0.267 4.083 4.350 0.000 0.000 0.194 540 E C 2.024 178.706 176.600 0.136 0.000 0.997 540 E CA 1.324 57.789 56.400 0.108 0.000 0.801 540 E CB -0.194 29.565 29.700 0.098 0.000 0.746 540 E HN 0.648 nan 8.360 nan 0.000 0.450 541 A N 0.616 123.550 122.820 0.190 0.000 1.968 541 A HA -0.090 4.230 4.320 0.000 0.000 0.217 541 A C 2.155 179.922 177.584 0.305 0.000 1.169 541 A CA 0.746 52.947 52.037 0.274 0.000 0.638 541 A CB -0.451 18.776 19.000 0.378 0.000 0.812 541 A HN 0.268 nan 8.150 nan 0.000 0.446 542 L N -0.864 120.440 121.223 0.135 0.000 2.093 542 L HA -0.230 4.110 4.340 0.000 0.000 0.208 542 L C 2.842 179.735 176.870 0.038 0.000 1.085 542 L CA 1.427 56.226 54.840 -0.067 0.000 0.755 542 L CB -0.420 41.549 42.059 -0.151 0.000 0.904 542 L HN 0.469 nan 8.230 nan 0.000 0.435 543 Q N -0.708 119.133 119.800 0.069 0.000 2.167 543 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 543 Q C 2.226 178.281 176.000 0.093 0.000 0.970 543 Q CA 1.163 57.009 55.803 0.072 0.000 0.855 543 Q CB -0.007 28.777 28.738 0.077 0.000 0.911 543 Q HN 0.576 nan 8.270 nan 0.000 0.438 544 Q N -0.262 119.611 119.800 0.120 0.000 2.079 544 Q HA -0.143 4.197 4.340 0.000 0.000 0.200 544 Q C 2.236 178.318 176.000 0.137 0.000 0.974 544 Q CA 1.445 57.322 55.803 0.122 0.000 0.840 544 Q CB -0.121 28.693 28.738 0.127 0.000 0.898 544 Q HN 0.197 nan 8.270 nan 0.000 0.430 545 S N 0.399 116.215 115.700 0.193 0.000 2.356 545 S HA -0.176 4.294 4.470 0.000 0.000 0.223 545 S C 2.056 176.739 174.600 0.138 0.000 1.032 545 S CA 1.160 59.492 58.200 0.221 0.000 1.005 545 S CB -0.258 63.188 63.200 0.409 0.000 0.867 545 S HN 0.437 nan 8.310 nan 0.000 0.449 546 A N 0.648 123.526 122.820 0.097 0.000 1.908 546 A HA -0.078 4.242 4.320 0.000 0.000 0.218 546 A C 2.471 180.088 177.584 0.055 0.000 1.181 546 A CA 2.271 54.342 52.037 0.057 0.000 0.627 546 A CB -1.497 17.520 19.000 0.028 0.000 0.818 546 A HN 0.638 nan 8.150 nan 0.000 0.445 547 S N -0.553 115.188 115.700 0.069 0.000 2.368 547 S HA -0.035 4.435 4.470 0.000 0.000 0.225 547 S C 2.143 176.787 174.600 0.073 0.000 1.030 547 S CA 1.588 59.830 58.200 0.071 0.000 0.999 547 S CB -0.456 62.794 63.200 0.084 0.000 0.844 547 S HN 0.825 nan 8.310 nan 0.000 0.459 548 A N 1.209 124.077 122.820 0.080 0.000 1.930 548 A HA 0.124 4.444 4.320 0.000 0.000 0.217 548 A C 2.182 179.798 177.584 0.053 0.000 1.175 548 A CA 1.236 53.316 52.037 0.073 0.000 0.627 548 A CB -0.701 18.345 19.000 0.076 0.000 0.815 548 A HN 0.569 nan 8.150 nan 0.000 0.443 549 L N -0.744 120.510 121.223 0.053 0.000 2.056 549 L HA -0.171 4.169 4.340 0.000 0.000 0.207 549 L C 3.078 179.951 176.870 0.005 0.000 1.078 549 L CA 1.041 55.901 54.840 0.033 0.000 0.749 549 L CB -0.548 41.536 42.059 0.042 0.000 0.901 549 L HN 0.421 nan 8.230 nan 0.000 0.433 550 A N -0.282 122.538 122.820 -0.000 0.000 1.902 550 A HA -0.253 4.067 4.320 0.000 0.000 0.217 550 A C 2.285 179.824 177.584 -0.076 0.000 1.181 550 A CA 1.811 53.824 52.037 -0.040 0.000 0.623 550 A CB -0.506 18.474 19.000 -0.035 0.000 0.818 550 A HN 0.453 nan 8.150 nan 0.000 0.443 551 E N -0.756 119.430 120.200 -0.023 0.000 2.110 551 E HA -0.190 4.160 4.350 0.000 0.000 0.193 551 E C 1.882 178.470 176.600 -0.019 0.000 0.988 551 E CA 1.129 57.523 56.400 -0.010 0.000 0.804 551 E CB -0.157 29.625 29.700 0.137 0.000 0.745 551 E HN 0.423 nan 8.360 nan 0.000 0.458 552 L N 1.551 122.773 121.223 -0.002 0.000 2.046 552 L HA -0.199 4.141 4.340 0.000 0.000 0.208 552 L C 2.032 178.881 176.870 -0.034 0.000 1.077 552 L CA 2.138 56.973 54.840 -0.008 0.000 0.747 552 L CB -0.519 41.539 42.059 -0.002 0.000 0.896 552 L HN 0.174 nan 8.230 nan 0.000 0.432 553 D N -1.231 119.138 120.400 -0.051 0.000 2.117 553 D HA -0.165 4.475 4.640 0.000 0.000 0.197 553 D C 2.135 178.376 176.300 -0.099 0.000 0.987 553 D CA 1.558 55.519 54.000 -0.065 0.000 0.829 553 D CB -0.012 40.749 40.800 -0.065 0.000 0.961 553 D HN 0.186 nan 8.370 nan 0.000 0.460 554 V N 0.560 120.373 119.914 -0.168 0.000 2.261 554 V HA -0.221 3.899 4.120 0.000 0.000 0.246 554 V C 2.768 178.783 176.094 -0.133 0.000 1.047 554 V CA 1.438 63.587 62.300 -0.250 0.000 1.015 554 V CB -0.557 30.913 31.823 -0.589 0.000 0.642 554 V HN 0.267 nan 8.190 nan 0.000 0.446 555 L N -0.479 120.706 121.223 -0.064 0.000 2.046 555 L HA -0.133 4.207 4.340 0.000 0.000 0.208 555 L C 2.468 179.329 176.870 -0.015 0.000 1.077 555 L CA 1.003 55.855 54.840 0.019 0.000 0.747 555 L CB -0.743 41.358 42.059 0.069 0.000 0.896 555 L HN 0.179 nan 8.230 nan 0.000 0.432 556 V N 0.620 120.517 119.914 -0.028 0.000 2.343 556 V HA -0.298 3.822 4.120 0.000 0.000 0.247 556 V C 2.408 178.482 176.094 -0.033 0.000 1.051 556 V CA 2.149 64.432 62.300 -0.027 0.000 1.036 556 V CB -0.808 31.003 31.823 -0.020 0.000 0.654 556 V HN 0.636 nan 8.190 nan 0.000 0.451 557 N N 0.461 119.137 118.700 -0.041 0.000 2.142 557 N HA -0.148 4.592 4.740 0.000 0.000 0.186 557 N C 1.914 177.404 175.510 -0.034 0.000 1.023 557 N CA 1.540 54.567 53.050 -0.039 0.000 0.852 557 N CB -0.112 38.345 38.487 -0.050 0.000 0.998 557 N HN 0.460 nan 8.380 nan 0.000 0.424 558 L N 0.761 121.969 121.223 -0.025 0.000 2.141 558 L HA -0.070 4.270 4.340 0.000 0.000 0.209 558 L C 2.746 179.580 176.870 -0.060 0.000 1.094 558 L CA 1.055 55.892 54.840 -0.004 0.000 0.763 558 L CB -0.414 41.675 42.059 0.050 0.000 0.908 558 L HN 0.229 nan 8.230 nan 0.000 0.437 559 A N -0.435 122.333 122.820 -0.087 0.000 1.873 559 A HA -0.212 4.108 4.320 0.000 0.000 0.215 559 A C 2.321 179.862 177.584 -0.072 0.000 1.186 559 A CA 1.484 53.439 52.037 -0.136 0.000 0.616 559 A CB -0.446 18.490 19.000 -0.106 0.000 0.823 559 A HN 0.375 nan 8.150 nan 0.000 0.442 560 E N 0.270 120.446 120.200 -0.040 0.000 2.058 560 E HA -0.231 4.119 4.350 0.000 0.000 0.194 560 E C 2.151 178.752 176.600 0.002 0.000 0.997 560 E CA 1.144 57.545 56.400 0.001 0.000 0.801 560 E CB -0.278 29.418 29.700 -0.007 0.000 0.746 560 E HN 0.430 nan 8.360 nan 0.000 0.450 561 R N 0.135 120.597 120.500 -0.062 0.000 2.081 561 R HA -0.072 4.268 4.340 0.000 0.000 0.235 561 R C 2.373 178.482 176.300 -0.318 0.000 1.131 561 R CA 1.115 57.120 56.100 -0.158 0.000 0.960 561 R CB -0.897 29.333 30.300 -0.116 0.000 0.856 561 R HN 0.244 nan 8.270 nan 0.000 0.436 562 A N 0.504 123.209 122.820 -0.192 0.000 1.908 562 A HA -0.231 4.089 4.320 0.000 0.000 0.218 562 A C 2.085 179.630 177.584 -0.064 0.000 1.181 562 A CA 1.425 53.386 52.037 -0.126 0.000 0.627 562 A CB -0.740 18.206 19.000 -0.090 0.000 0.818 562 A HN 0.425 nan 8.150 nan 0.000 0.445 563 Y N 0.975 121.192 120.300 -0.138 0.000 2.109 563 Y HA -0.156 4.394 4.550 0.000 0.000 0.285 563 Y C 2.696 178.531 175.900 -0.109 0.000 1.131 563 Y CA 2.387 60.437 58.100 -0.084 0.000 1.121 563 Y CB -0.853 37.566 38.460 -0.069 0.000 0.987 563 Y HN 0.279 nan 8.280 nan 0.000 0.495 564 T N 1.368 115.826 114.554 -0.160 0.000 2.708 564 T HA -0.148 4.202 4.350 0.000 0.000 0.266 564 T C 1.712 176.236 174.700 -0.293 0.000 1.037 564 T CA 1.947 63.893 62.100 -0.257 0.000 1.146 564 T CB -0.463 68.350 68.868 -0.092 0.000 0.865 564 T HN 0.319 nan 8.240 nan 0.000 0.435 565 L N 0.995 121.997 121.223 -0.369 0.000 2.592 565 L HA 0.281 4.621 4.340 0.000 0.000 0.227 565 L C 0.712 177.435 176.870 -0.246 0.000 1.127 565 L CA -0.101 54.517 54.840 -0.371 0.000 0.884 565 L CB -0.640 41.066 42.059 -0.588 0.000 1.065 565 L HN 0.437 nan 8.230 nan 0.000 0.457 566 N N 0.656 119.232 118.700 -0.207 0.000 2.663 566 N HA -0.204 4.536 4.740 0.000 0.000 0.263 566 N C -1.211 174.446 175.510 0.245 0.000 1.109 566 N CA -0.031 53.012 53.050 -0.011 0.000 0.701 566 N CB -0.421 38.062 38.487 -0.007 0.000 0.879 566 N HN 0.121 nan 8.380 nan 0.000 0.550 567 Y N 0.316 120.655 120.300 0.065 0.000 2.496 567 Y HA 0.545 5.096 4.550 0.000 0.000 0.331 567 Y C 1.154 177.151 175.900 0.161 0.000 1.140 567 Y CA -0.600 57.562 58.100 0.102 0.000 1.166 567 Y CB 1.636 40.184 38.460 0.148 0.000 1.249 567 Y HN 0.281 nan 8.280 nan 0.000 0.479 568 T N -2.255 112.413 114.554 0.191 0.000 2.930 568 T HA 0.387 4.737 4.350 0.000 0.000 0.290 568 T C -0.700 173.775 174.700 -0.374 0.000 1.052 568 T CA -0.822 61.257 62.100 -0.035 0.000 1.017 568 T CB 1.437 70.263 68.868 -0.070 0.000 1.137 568 T HN 0.727 nan 8.240 nan 0.000 0.511 569 C N 4.540 123.370 119.300 -0.783 0.000 2.464 569 C HA 0.549 5.009 4.460 0.000 0.000 0.370 569 C C -1.867 172.825 174.990 -0.496 0.000 1.267 569 C CA -1.436 57.015 59.018 -0.945 0.000 1.781 569 C CB -0.587 26.541 27.740 -1.020 0.000 2.431 569 C HN 0.750 nan 8.230 nan 0.000 0.556 570 P HA 0.321 nan 4.420 nan 0.000 0.276 570 P C -0.533 176.380 177.300 -0.645 0.000 1.244 570 P CA 0.229 63.040 63.100 -0.481 0.000 0.801 570 P CB 1.039 32.434 31.700 -0.509 0.000 1.006 571 T N -1.597 112.592 114.554 -0.609 0.000 2.932 571 T HA 0.687 5.037 4.350 0.000 0.000 0.289 571 T C -0.482 173.789 174.700 -0.715 0.000 1.039 571 T CA -0.599 61.135 62.100 -0.610 0.000 1.024 571 T CB 0.680 69.386 68.868 -0.270 0.000 1.090 571 T HN 0.119 nan 8.240 nan 0.000 0.496 572 F N 1.234 121.135 119.950 -0.081 0.000 2.458 572 F HA 0.703 5.230 4.527 0.000 0.000 0.330 572 F C 0.460 176.248 175.800 -0.020 0.000 1.082 572 F CA -1.443 56.525 58.000 -0.053 0.000 0.995 572 F CB 1.273 40.247 39.000 -0.043 0.000 1.170 572 F HN 0.704 nan 8.300 nan 0.000 0.478 573 I N -1.846 118.825 120.570 0.169 0.000 3.067 573 I HA 0.550 4.720 4.170 0.000 0.000 0.312 573 I C -0.072 176.105 176.117 0.100 0.000 1.073 573 I CA -0.874 60.482 61.300 0.094 0.000 1.016 573 I CB 1.851 39.875 38.000 0.040 0.000 1.227 573 I HN 0.394 nan 8.210 nan 0.000 0.456 574 D N 1.351 121.788 120.400 0.062 0.000 2.162 574 D HA 0.020 4.660 4.640 0.000 0.000 0.203 574 D C 0.203 176.519 176.300 0.026 0.000 0.967 574 D CA 1.408 55.442 54.000 0.057 0.000 0.840 574 D CB 0.144 40.972 40.800 0.046 0.000 0.972 574 D HN 0.488 nan 8.370 nan 0.000 0.482 575 K N 0.756 121.148 120.400 -0.013 0.000 2.123 575 K HA 0.400 4.720 4.320 0.000 0.000 0.248 575 K C -2.628 173.890 176.600 -0.136 0.000 0.969 575 K CA -2.006 54.225 56.287 -0.092 0.000 0.882 575 K CB 1.225 33.683 32.500 -0.070 0.000 1.080 575 K HN -0.223 nan 8.250 nan 0.000 0.441 576 P HA 0.045 nan 4.420 nan 0.000 0.262 576 P C -0.575 176.664 177.300 -0.103 0.000 1.182 576 P CA 0.191 63.150 63.100 -0.235 0.000 0.761 576 P CB 0.555 32.053 31.700 -0.335 0.000 0.795 577 G N 1.880 110.654 108.800 -0.044 0.000 2.377 577 G HA2 0.511 4.471 3.960 0.000 0.000 0.297 577 G HA3 0.511 4.471 3.960 0.000 0.000 0.297 577 G C -1.997 172.904 174.900 0.002 0.000 1.547 577 G CA -0.621 44.466 45.100 -0.021 0.000 0.833 577 G HN 0.377 nan 8.290 nan 0.000 0.583 578 I N 0.634 121.202 120.570 -0.004 0.000 2.534 578 I HA 0.467 4.637 4.170 0.000 0.000 0.286 578 I C -0.392 175.715 176.117 -0.017 0.000 1.094 578 I CA -0.755 60.540 61.300 -0.008 0.000 1.055 578 I CB 2.361 40.356 38.000 -0.008 0.000 1.225 578 I HN 0.270 nan 8.210 nan 0.000 0.435 579 R N 6.788 127.271 120.500 -0.028 0.000 2.409 579 R HA 0.717 5.057 4.340 0.000 0.000 0.313 579 R C -1.092 175.186 176.300 -0.037 0.000 0.953 579 R CA -0.626 55.459 56.100 -0.025 0.000 0.849 579 R CB 2.333 32.618 30.300 -0.026 0.000 1.171 579 R HN 0.553 nan 8.270 nan 0.000 0.458 580 I N 1.910 122.468 120.570 -0.019 0.000 2.436 580 I HA 0.291 4.461 4.170 0.000 0.000 0.289 580 I C -0.240 175.880 176.117 0.005 0.000 1.010 580 I CA -0.619 60.669 61.300 -0.020 0.000 1.098 580 I CB 2.540 40.530 38.000 -0.017 0.000 1.266 580 I HN 0.416 nan 8.210 nan 0.000 0.434 581 T N 4.886 119.438 114.554 -0.005 0.000 2.770 581 T HA 0.231 4.581 4.350 0.000 0.000 0.283 581 T C -0.339 174.374 174.700 0.022 0.000 0.988 581 T CA -0.402 61.704 62.100 0.011 0.000 0.957 581 T CB 0.860 69.726 68.868 -0.003 0.000 0.930 581 T HN 0.512 nan 8.240 nan 0.000 0.443 582 E N 1.113 121.341 120.200 0.047 0.000 2.222 582 E HA -0.134 4.216 4.350 0.000 0.000 0.189 582 E C 0.433 177.075 176.600 0.070 0.000 1.415 582 E CA 0.658 57.098 56.400 0.067 0.000 0.689 582 E CB -1.291 28.442 29.700 0.054 0.000 1.107 582 E HN 0.907 nan 8.360 nan 0.000 0.350 583 G N 0.666 109.520 108.800 0.090 0.000 2.425 583 G HA2 0.637 4.597 3.960 0.000 0.000 0.302 583 G HA3 0.637 4.597 3.960 0.000 0.000 0.302 583 G C -0.023 174.961 174.900 0.140 0.000 1.159 583 G CA -0.666 44.472 45.100 0.064 0.000 0.865 583 G HN 0.103 nan 8.290 nan 0.000 0.515 584 R N -0.670 119.838 120.500 0.013 0.000 2.808 584 R HA 0.323 4.663 4.340 0.000 0.000 0.272 584 R C -0.725 175.393 176.300 -0.303 0.000 0.995 584 R CA -0.978 55.027 56.100 -0.159 0.000 0.917 584 R CB 1.571 31.673 30.300 -0.331 0.000 1.217 584 R HN 0.616 nan 8.270 nan 0.000 0.471 585 H N 4.396 123.057 119.070 -0.683 0.000 2.878 585 H HA 0.122 4.678 4.556 0.000 0.000 0.290 585 H C -1.663 173.419 175.328 -0.410 0.000 1.065 585 H CA -2.036 53.789 56.048 -0.371 0.000 1.477 585 H CB 1.361 31.033 29.762 -0.149 0.000 1.484 585 H HN 0.354 nan 8.280 nan 0.000 0.504 586 P HA -0.123 nan 4.420 nan 0.000 0.223 586 P C 1.190 178.532 177.300 0.069 0.000 1.151 586 P CA 0.553 63.614 63.100 -0.064 0.000 0.787 586 P CB 0.778 32.412 31.700 -0.110 0.000 0.788 587 V N -0.457 119.611 119.914 0.257 0.000 2.581 587 V HA -0.077 4.043 4.120 0.000 0.000 0.240 587 V C 2.747 178.883 176.094 0.070 0.000 1.054 587 V CA 0.875 63.284 62.300 0.181 0.000 1.076 587 V CB -0.854 31.110 31.823 0.235 0.000 0.748 587 V HN -0.130 nan 8.190 nan 0.000 0.474 588 V N 1.824 121.729 119.914 -0.015 0.000 2.392 588 V HA -0.306 3.814 4.120 0.000 0.000 0.249 588 V C 2.561 178.651 176.094 -0.007 0.000 1.059 588 V CA 2.511 64.738 62.300 -0.123 0.000 1.051 588 V CB -0.893 30.801 31.823 -0.215 0.000 0.658 588 V HN 0.883 nan 8.190 nan 0.000 0.455 589 E N -0.481 119.641 120.200 -0.132 0.000 2.268 589 E HA -0.232 4.118 4.350 0.000 0.000 0.195 589 E C 1.973 178.573 176.600 -0.000 0.000 0.995 589 E CA 0.983 57.337 56.400 -0.077 0.000 0.836 589 E CB -0.183 29.340 29.700 -0.294 0.000 0.763 589 E HN 0.523 nan 8.360 nan 0.000 0.491 590 Q N 0.641 120.440 119.800 -0.003 0.000 2.250 590 Q HA 0.013 4.354 4.340 0.000 0.000 0.200 590 Q C 2.188 178.197 176.000 0.013 0.000 0.941 590 Q CA 1.361 57.170 55.803 0.010 0.000 0.872 590 Q CB 0.819 29.565 28.738 0.013 0.000 0.965 590 Q HN 0.438 nan 8.270 nan 0.000 0.480 591 V N -1.376 118.545 119.914 0.012 0.000 3.331 591 V HA 0.316 4.436 4.120 0.000 0.000 0.332 591 V C 0.037 176.138 176.094 0.012 0.000 1.341 591 V CA -0.246 62.059 62.300 0.009 0.000 1.218 591 V CB -0.186 31.637 31.823 0.001 0.000 1.152 591 V HN -0.019 nan 8.190 nan 0.000 0.445 592 L N 1.539 122.778 121.223 0.027 0.000 2.385 592 L HA 0.648 4.988 4.340 0.000 0.000 0.273 592 L C -0.456 176.436 176.870 0.036 0.000 0.990 592 L CA -0.336 54.525 54.840 0.035 0.000 0.821 592 L CB 1.920 44.018 42.059 0.064 0.000 1.279 592 L HN 0.175 nan 8.230 nan 0.000 0.412 593 N N 5.475 124.191 118.700 0.027 0.000 3.083 593 N HA 0.299 5.039 4.740 0.000 0.000 0.260 593 N C -1.038 174.491 175.510 0.030 0.000 1.163 593 N CA 0.072 53.138 53.050 0.026 0.000 1.060 593 N CB 0.229 38.727 38.487 0.019 0.000 1.345 593 N HN 0.768 nan 8.380 nan 0.000 0.515 594 E N -0.911 119.313 120.200 0.040 0.000 2.375 594 E HA 0.107 4.457 4.350 0.000 0.000 0.280 594 E C -3.220 173.417 176.600 0.062 0.000 1.219 594 E CA -1.105 55.321 56.400 0.043 0.000 0.973 594 E CB -0.604 29.118 29.700 0.037 0.000 1.166 594 E HN -0.086 nan 8.360 nan 0.000 0.416 595 P HA 0.120 nan 4.420 nan 0.000 0.263 595 P C -1.213 176.146 177.300 0.099 0.000 1.195 595 P CA 0.096 63.245 63.100 0.082 0.000 0.762 595 P CB 0.027 31.761 31.700 0.056 0.000 0.799 596 F N 4.364 124.318 119.950 0.007 0.000 2.410 596 F HA 0.282 4.809 4.527 0.000 0.000 0.348 596 F C 0.154 175.965 175.800 0.019 0.000 1.106 596 F CA -0.745 57.253 58.000 -0.003 0.000 1.163 596 F CB 0.515 39.520 39.000 0.008 0.000 1.129 596 F HN 0.139 nan 8.300 nan 0.000 0.516 597 I N 6.799 127.080 120.570 -0.482 0.000 2.294 597 I HA 0.209 4.379 4.170 0.000 0.000 0.295 597 I C 0.699 176.793 176.117 -0.038 0.000 1.098 597 I CA -0.461 60.724 61.300 -0.192 0.000 1.277 597 I CB -0.525 37.369 38.000 -0.177 0.000 1.434 597 I HN 0.662 nan 8.210 nan 0.000 0.498 598 A N 7.488 130.427 122.820 0.199 0.000 2.520 598 A HA 0.312 4.632 4.320 0.000 0.000 0.235 598 A C 0.340 178.014 177.584 0.150 0.000 1.065 598 A CA 0.095 52.283 52.037 0.252 0.000 0.764 598 A CB 0.184 19.293 19.000 0.183 0.000 1.002 598 A HN 0.793 nan 8.150 nan 0.000 0.502 599 N N 0.834 119.649 118.700 0.191 0.000 2.416 599 N HA 0.638 5.378 4.740 0.000 0.000 0.276 599 N C -3.165 172.457 175.510 0.187 0.000 1.261 599 N CA -0.902 52.242 53.050 0.156 0.000 0.790 599 N CB 2.847 41.434 38.487 0.166 0.000 1.554 599 N HN 0.453 nan 8.380 nan 0.000 0.481 600 P HA 0.561 nan 4.420 nan 0.000 0.288 600 P C -1.332 176.096 177.300 0.212 0.000 1.297 600 P CA -0.621 62.561 63.100 0.136 0.000 0.864 600 P CB 1.940 33.685 31.700 0.075 0.000 1.237 601 L N 0.259 121.559 121.223 0.129 0.000 2.513 601 L HA 0.536 4.876 4.340 0.000 0.000 0.261 601 L C -1.524 175.380 176.870 0.057 0.000 0.945 601 L CA -0.299 54.614 54.840 0.121 0.000 0.848 601 L CB 1.835 43.908 42.059 0.024 0.000 1.334 601 L HN 0.456 nan 8.230 nan 0.000 0.407 602 N N 5.443 124.178 118.700 0.058 0.000 2.576 602 N HA 0.566 5.306 4.740 0.000 0.000 0.269 602 N C -1.944 173.581 175.510 0.025 0.000 1.058 602 N CA -0.450 52.618 53.050 0.030 0.000 0.860 602 N CB 1.007 39.511 38.487 0.028 0.000 1.249 602 N HN 0.618 nan 8.380 nan 0.000 0.525 603 L N 2.208 123.438 121.223 0.011 0.000 2.362 603 L HA 0.610 4.950 4.340 0.000 0.000 0.271 603 L C -0.308 176.559 176.870 -0.004 0.000 1.002 603 L CA -0.464 54.380 54.840 0.006 0.000 0.818 603 L CB 1.970 44.032 42.059 0.003 0.000 1.298 603 L HN 0.616 nan 8.230 nan 0.000 0.420 604 S N 1.170 116.865 115.700 -0.009 0.000 2.672 604 S HA 0.517 4.987 4.470 0.000 0.000 0.271 604 S C -2.680 171.907 174.600 -0.023 0.000 1.171 604 S CA -1.000 57.189 58.200 -0.018 0.000 0.817 604 S CB 1.802 64.994 63.200 -0.014 0.000 1.150 604 S HN 0.278 nan 8.310 nan 0.000 0.478 605 P HA 0.041 nan 4.420 nan 0.000 0.220 605 P C 0.906 178.194 177.300 -0.019 0.000 1.148 605 P CA 1.172 64.255 63.100 -0.029 0.000 0.803 605 P CB 0.026 31.706 31.700 -0.033 0.000 0.782 606 Q N -1.353 118.438 119.800 -0.016 0.000 2.302 606 Q HA 0.045 4.385 4.340 0.000 0.000 0.202 606 Q C 1.273 177.265 176.000 -0.013 0.000 0.936 606 Q CA 0.757 56.552 55.803 -0.013 0.000 0.886 606 Q CB -0.041 28.691 28.738 -0.010 0.000 0.986 606 Q HN 0.111 nan 8.270 nan 0.000 0.487 607 R N 1.457 121.950 120.500 -0.011 0.000 2.724 607 R HA 0.266 4.606 4.340 0.000 0.000 0.284 607 R C -0.884 175.414 176.300 -0.005 0.000 1.481 607 R CA -0.240 55.856 56.100 -0.007 0.000 1.652 607 R CB 0.242 30.542 30.300 -0.000 0.000 1.175 607 R HN 0.125 nan 8.270 nan 0.000 0.613 611 I N 4.291 124.892 120.570 0.052 0.000 2.379 611 I HA 0.308 4.478 4.170 0.000 0.000 0.290 611 I C 0.220 176.410 176.117 0.122 0.000 1.063 611 I CA 0.084 61.436 61.300 0.086 0.000 1.351 611 I CB 0.794 38.773 38.000 -0.035 0.000 1.410 611 I HN 0.401 nan 8.210 nan 0.000 0.505 612 I N 7.000 127.680 120.570 0.183 0.000 2.330 612 I HA 0.282 4.452 4.170 0.000 0.000 0.289 612 I C 0.664 176.886 176.117 0.175 0.000 1.001 612 I CA -0.254 61.149 61.300 0.172 0.000 1.193 612 I CB 1.403 39.523 38.000 0.200 0.000 1.345 612 I HN 0.585 nan 8.210 nan 0.000 0.461 613 T N 1.968 116.630 114.554 0.179 0.000 2.870 613 T HA 0.980 5.330 4.350 0.000 0.000 0.277 613 T C 0.070 174.911 174.700 0.235 0.000 1.000 613 T CA -0.889 61.337 62.100 0.210 0.000 0.982 613 T CB 2.121 71.118 68.868 0.214 0.000 1.249 613 T HN 0.989 nan 8.240 nan 0.000 0.589 614 G N 0.303 109.263 108.800 0.268 0.000 2.317 614 G HA2 0.387 4.347 3.960 0.000 0.000 0.445 614 G HA3 0.387 4.347 3.960 0.000 0.000 0.445 614 G C -3.471 171.575 174.900 0.243 0.000 1.486 614 G CA -1.069 44.190 45.100 0.266 0.000 0.991 614 G HN 0.742 nan 8.290 nan 0.000 0.660 615 P HA 0.219 nan 4.420 nan 0.000 0.269 615 P C 0.606 177.951 177.300 0.075 0.000 1.209 615 P CA -0.360 62.881 63.100 0.235 0.000 0.776 615 P CB 0.561 32.436 31.700 0.292 0.000 0.876 619 G N 0.505 109.307 108.800 0.004 0.000 2.143 619 G HA2 -0.196 3.764 3.960 0.000 0.000 0.175 619 G HA3 -0.196 3.764 3.960 0.000 0.000 0.175 619 G C 0.930 175.876 174.900 0.077 0.000 1.004 619 G CA 0.815 45.956 45.100 0.069 0.000 0.671 619 G HN 0.519 nan 8.290 nan 0.000 0.512 620 K N 0.418 120.854 120.400 0.060 0.000 2.026 620 K HA -0.009 4.311 4.320 0.000 0.000 0.208 620 K C 2.570 179.252 176.600 0.138 0.000 1.048 620 K CA 1.629 57.980 56.287 0.107 0.000 0.929 620 K CB -0.250 32.300 32.500 0.083 0.000 0.713 620 K HN 0.265 nan 8.250 nan 0.000 0.439 621 S N 0.385 116.134 115.700 0.081 0.000 2.402 621 S HA -0.094 4.377 4.470 0.000 0.000 0.229 621 S C 1.932 176.603 174.600 0.118 0.000 1.021 621 S CA 1.451 59.696 58.200 0.075 0.000 0.974 621 S CB -0.187 63.030 63.200 0.029 0.000 0.800 621 S HN 0.346 nan 8.310 nan 0.000 0.484 622 T N 0.620 115.255 114.554 0.134 0.000 2.777 622 T HA -0.009 4.341 4.350 0.000 0.000 0.266 622 T C 0.830 175.713 174.700 0.305 0.000 1.040 622 T CA 0.735 62.956 62.100 0.203 0.000 1.141 622 T CB -0.276 68.675 68.868 0.138 0.000 0.868 622 T HN 0.430 nan 8.240 nan 0.000 0.444 626 Q N 1.255 121.039 119.800 -0.027 0.000 2.224 626 Q HA -0.042 4.298 4.340 0.000 0.000 0.203 626 Q C 0.798 176.700 176.000 -0.162 0.000 0.970 626 Q CA 2.042 57.746 55.803 -0.166 0.000 0.865 626 Q CB -0.131 28.613 28.738 0.010 0.000 0.922 626 Q HN 0.106 nan 8.270 nan 0.000 0.445 627 T N 1.407 115.864 114.554 -0.162 0.000 2.674 627 T HA -0.105 4.245 4.350 0.000 0.000 0.265 627 T C 1.986 176.622 174.700 -0.107 0.000 1.039 627 T CA 1.736 63.735 62.100 -0.167 0.000 1.150 627 T CB -0.461 68.275 68.868 -0.221 0.000 0.864 627 T HN 0.550 nan 8.240 nan 0.000 0.427 628 A N 0.855 123.623 122.820 -0.086 0.000 1.972 628 A HA 0.028 4.349 4.320 0.000 0.000 0.219 628 A C 2.292 179.838 177.584 -0.063 0.000 1.169 628 A CA 1.177 53.183 52.037 -0.051 0.000 0.635 628 A CB -0.774 18.206 19.000 -0.034 0.000 0.810 628 A HN 0.482 nan 8.150 nan 0.000 0.446 629 L N -0.863 120.288 121.223 -0.120 0.000 2.109 629 L HA -0.093 4.247 4.340 0.000 0.000 0.207 629 L C 2.420 179.213 176.870 -0.129 0.000 1.086 629 L CA 0.919 55.671 54.840 -0.147 0.000 0.760 629 L CB -0.407 41.489 42.059 -0.271 0.000 0.910 629 L HN 0.350 nan 8.230 nan 0.000 0.437 630 I N -0.111 120.374 120.570 -0.142 0.000 2.226 630 I HA -0.293 3.877 4.170 0.000 0.000 0.245 630 I C 2.797 178.877 176.117 -0.062 0.000 1.100 630 I CA 1.151 62.370 61.300 -0.134 0.000 1.374 630 I CB -0.387 37.529 38.000 -0.140 0.000 1.057 630 I HN 0.207 nan 8.210 nan 0.000 0.413 631 A N 0.852 123.666 122.820 -0.010 0.000 1.865 631 A HA -0.150 4.170 4.320 0.000 0.000 0.217 631 A C 1.643 179.334 177.584 0.178 0.000 1.191 631 A CA 0.898 53.000 52.037 0.108 0.000 0.623 631 A CB -0.831 18.232 19.000 0.105 0.000 0.826 631 A HN 0.372 nan 8.150 nan 0.000 0.444 635 Y N 1.351 121.732 120.300 0.134 0.000 2.462 635 Y HA 0.271 4.821 4.550 0.000 0.000 0.293 635 Y C 1.660 177.568 175.900 0.012 0.000 1.195 635 Y CA 0.924 59.071 58.100 0.078 0.000 1.276 635 Y CB -0.054 38.429 38.460 0.040 0.000 1.082 635 Y HN 0.590 nan 8.280 nan 0.000 0.514 636 I N -5.246 115.402 120.570 0.130 0.000 4.082 636 I HA 0.532 4.702 4.170 0.000 0.000 0.337 636 I C 1.546 177.697 176.117 0.056 0.000 1.352 636 I CA 0.571 61.913 61.300 0.070 0.000 1.097 636 I CB 0.470 38.577 38.000 0.180 0.000 1.048 636 I HN 0.015 nan 8.210 nan 0.000 0.393 637 G N 1.447 110.306 108.800 0.098 0.000 2.176 637 G HA2 -0.285 3.675 3.960 0.000 0.000 0.232 637 G HA3 -0.285 3.675 3.960 0.000 0.000 0.232 637 G C 0.369 175.400 174.900 0.219 0.000 0.986 637 G CA 0.248 45.431 45.100 0.138 0.000 0.643 637 G HN 0.677 nan 8.290 nan 0.000 0.522 638 S N -0.546 115.286 115.700 0.220 0.000 2.652 638 S HA 0.708 5.178 4.470 0.000 0.000 0.270 638 S C 0.604 175.410 174.600 0.344 0.000 1.243 638 S CA -0.605 57.755 58.200 0.267 0.000 0.999 638 S CB 0.674 64.008 63.200 0.223 0.000 0.973 638 S HN 0.319 nan 8.310 nan 0.000 0.544 639 Y N 1.097 121.466 120.300 0.116 0.000 2.296 639 Y HA 0.462 5.012 4.550 0.000 0.000 0.343 639 Y C 0.665 176.558 175.900 -0.011 0.000 1.292 639 Y CA -1.053 57.102 58.100 0.090 0.000 1.490 639 Y CB 0.299 38.865 38.460 0.177 0.000 1.359 639 Y HN 0.377 nan 8.280 nan 0.000 0.599 640 V N 3.529 123.432 119.914 -0.019 0.000 2.735 640 V HA 0.332 4.452 4.120 0.000 0.000 0.310 640 V C -2.235 173.556 176.094 -0.506 0.000 1.061 640 V CA -2.228 59.865 62.300 -0.345 0.000 0.913 640 V CB 2.374 34.060 31.823 -0.229 0.000 1.005 640 V HN 0.578 nan 8.190 nan 0.000 0.428 641 P HA 0.306 nan 4.420 nan 0.000 0.252 641 P C -0.559 176.639 177.300 -0.170 0.000 1.694 641 P CA 0.548 63.376 63.100 -0.453 0.000 1.163 641 P CB 0.279 31.710 31.700 -0.449 0.000 1.934 642 A N 2.003 124.774 122.820 -0.081 0.000 2.511 642 A HA 0.283 4.603 4.320 0.000 0.000 0.293 642 A C 0.744 178.321 177.584 -0.012 0.000 1.098 642 A CA -0.459 51.556 52.037 -0.038 0.000 0.643 642 A CB 0.546 19.507 19.000 -0.066 0.000 1.302 642 A HN 0.223 nan 8.150 nan 0.000 0.446 643 Q N -0.259 119.538 119.800 -0.005 0.000 2.212 643 Q HA 0.164 4.504 4.340 0.000 0.000 0.199 643 Q C 0.319 176.300 176.000 -0.031 0.000 0.950 643 Q CA 1.372 57.173 55.803 -0.004 0.000 0.863 643 Q CB 0.111 28.853 28.738 0.007 0.000 0.944 643 Q HN 0.526 nan 8.270 nan 0.000 0.465 644 K N -0.662 119.709 120.400 -0.048 0.000 2.578 644 K HA 0.421 4.741 4.320 0.000 0.000 0.269 644 K C -2.102 174.443 176.600 -0.092 0.000 0.941 644 K CA -0.565 55.676 56.287 -0.077 0.000 0.847 644 K CB 2.372 34.836 32.500 -0.060 0.000 1.397 644 K HN -0.082 nan 8.250 nan 0.000 0.422 645 V N 3.016 122.848 119.914 -0.135 0.000 2.655 645 V HA 0.318 4.438 4.120 0.000 0.000 0.301 645 V C -1.321 174.660 176.094 -0.189 0.000 1.082 645 V CA -0.727 61.484 62.300 -0.149 0.000 0.899 645 V CB 1.943 33.661 31.823 -0.175 0.000 1.014 645 V HN 0.790 nan 8.190 nan 0.000 0.429 646 E N 4.707 124.821 120.200 -0.143 0.000 2.171 646 E HA 0.691 5.042 4.350 0.000 0.000 0.271 646 E C -1.037 175.499 176.600 -0.107 0.000 0.916 646 E CA -0.559 55.754 56.400 -0.144 0.000 0.774 646 E CB 3.173 32.821 29.700 -0.087 0.000 1.128 646 E HN 0.581 nan 8.360 nan 0.000 0.403 647 I N 1.590 122.097 120.570 -0.106 0.000 2.607 647 I HA 0.467 4.637 4.170 0.000 0.000 0.290 647 I C -0.169 176.039 176.117 0.151 0.000 1.129 647 I CA -0.473 60.835 61.300 0.014 0.000 1.042 647 I CB 1.519 39.526 38.000 0.011 0.000 1.242 647 I HN 0.639 nan 8.210 nan 0.000 0.421 648 G N 6.256 115.144 108.800 0.146 0.000 2.557 648 G HA2 0.543 4.504 3.960 0.000 0.000 0.292 648 G HA3 0.543 4.504 3.960 0.000 0.000 0.292 648 G C -2.769 172.278 174.900 0.244 0.000 1.237 648 G CA -1.234 43.960 45.100 0.156 0.000 0.978 648 G HN 0.423 nan 8.290 nan 0.000 0.498 649 P HA 0.233 nan 4.420 nan 0.000 0.268 649 P C -0.715 176.637 177.300 0.085 0.000 1.205 649 P CA 0.366 63.565 63.100 0.165 0.000 0.771 649 P CB 1.137 32.986 31.700 0.249 0.000 0.858 650 I N 2.673 123.207 120.570 -0.061 0.000 2.499 650 I HA 0.149 4.319 4.170 0.000 0.000 0.288 650 I C 1.094 177.160 176.117 -0.084 0.000 1.048 650 I CA -0.561 60.709 61.300 -0.051 0.000 1.062 650 I CB 2.314 40.238 38.000 -0.127 0.000 1.238 650 I HN 0.331 nan 8.210 nan 0.000 0.426 651 D N 5.417 125.838 120.400 0.036 0.000 2.259 651 D HA 0.057 4.697 4.640 0.000 0.000 0.216 651 D C 0.530 176.797 176.300 -0.056 0.000 0.961 651 D CA 0.695 54.684 54.000 -0.019 0.000 0.878 651 D CB 0.476 41.283 40.800 0.011 0.000 1.009 651 D HN 0.407 nan 8.370 nan 0.000 0.490 652 R N -0.553 119.932 120.500 -0.025 0.000 2.707 652 R HA 0.641 4.981 4.340 0.000 0.000 0.272 652 R C -1.029 175.191 176.300 -0.134 0.000 1.011 652 R CA -0.733 55.275 56.100 -0.152 0.000 0.893 652 R CB 2.370 32.517 30.300 -0.254 0.000 1.233 652 R HN -0.047 nan 8.270 nan 0.000 0.464 653 I N 2.409 122.825 120.570 -0.257 0.000 2.418 653 I HA 0.382 4.552 4.170 0.000 0.000 0.287 653 I C -0.966 174.999 176.117 -0.254 0.000 1.008 653 I CA -0.537 60.686 61.300 -0.129 0.000 1.104 653 I CB 1.039 39.001 38.000 -0.063 0.000 1.264 653 I HN 0.311 nan 8.210 nan 0.000 0.438 654 F N 3.285 123.244 119.950 0.015 0.000 2.458 654 F HA 0.630 5.157 4.527 0.000 0.000 0.330 654 F C 0.486 176.292 175.800 0.010 0.000 1.082 654 F CA -0.548 57.462 58.000 0.016 0.000 0.995 654 F CB 2.126 41.139 39.000 0.021 0.000 1.170 654 F HN 0.218 nan 8.300 nan 0.000 0.478 655 T N 2.929 117.599 114.554 0.193 0.000 2.916 655 T HA 0.437 4.787 4.350 0.000 0.000 0.298 655 T C -1.101 173.652 174.700 0.088 0.000 1.031 655 T CA -0.813 61.351 62.100 0.105 0.000 0.993 655 T CB 1.735 70.639 68.868 0.060 0.000 1.045 655 T HN 0.333 nan 8.240 nan 0.000 0.454 656 R N 2.839 123.366 120.500 0.045 0.000 2.473 656 R HA 0.510 4.850 4.340 0.000 0.000 0.303 656 R C -1.650 174.646 176.300 -0.007 0.000 1.002 656 R CA -0.500 55.615 56.100 0.025 0.000 0.884 656 R CB 1.414 31.721 30.300 0.011 0.000 1.173 656 R HN 0.475 nan 8.270 nan 0.000 0.464 657 V N 4.363 124.279 119.914 0.004 0.000 2.275 657 V HA 0.373 4.493 4.120 0.000 0.000 0.272 657 V C 1.054 177.141 176.094 -0.011 0.000 1.028 657 V CA -0.637 61.656 62.300 -0.012 0.000 0.810 657 V CB 1.182 33.002 31.823 -0.004 0.000 1.043 657 V HN 0.818 nan 8.190 nan 0.000 0.453 676 E N 1.486 121.707 120.200 0.035 0.000 2.051 676 E HA -0.095 4.255 4.350 0.000 0.000 0.192 676 E C 1.958 178.578 176.600 0.034 0.000 0.991 676 E CA 1.793 58.224 56.400 0.052 0.000 0.799 676 E CB -0.140 29.599 29.700 0.064 0.000 0.748 676 E HN 0.357 nan 8.360 nan 0.000 0.449 677 T N 0.858 115.424 114.554 0.019 0.000 2.699 677 T HA -0.235 4.115 4.350 0.000 0.000 0.268 677 T C 1.951 176.612 174.700 -0.065 0.000 1.036 677 T CA 1.357 63.452 62.100 -0.009 0.000 1.147 677 T CB -0.310 68.566 68.868 0.013 0.000 0.862 677 T HN 0.278 nan 8.240 nan 0.000 0.446 678 A N 1.727 124.507 122.820 -0.067 0.000 1.940 678 A HA -0.179 4.141 4.320 0.000 0.000 0.219 678 A C 2.122 179.604 177.584 -0.169 0.000 1.176 678 A CA 2.163 54.102 52.037 -0.164 0.000 0.631 678 A CB -0.872 18.085 19.000 -0.071 0.000 0.814 678 A HN 0.591 nan 8.150 nan 0.000 0.446 679 N N -0.099 118.598 118.700 -0.005 0.000 2.244 679 N HA -0.069 4.671 4.740 0.000 0.000 0.183 679 N C 1.484 176.983 175.510 -0.018 0.000 1.016 679 N CA 1.523 54.621 53.050 0.080 0.000 0.866 679 N CB -0.335 38.227 38.487 0.125 0.000 0.980 679 N HN 0.529 nan 8.380 nan 0.000 0.430 680 I N 0.265 120.755 120.570 -0.133 0.000 2.142 680 I HA -0.258 3.912 4.170 0.000 0.000 0.240 680 I C 1.909 177.788 176.117 -0.396 0.000 1.078 680 I CA 0.955 61.995 61.300 -0.433 0.000 1.343 680 I CB -0.389 37.420 38.000 -0.319 0.000 1.046 680 I HN 0.217 nan 8.210 nan 0.000 0.405 681 L N -0.249 120.814 121.223 -0.266 0.000 2.131 681 L HA -0.240 4.100 4.340 0.000 0.000 0.210 681 L C 2.438 179.204 176.870 -0.173 0.000 1.092 681 L CA 1.596 56.294 54.840 -0.236 0.000 0.759 681 L CB -0.948 40.955 42.059 -0.260 0.000 0.903 681 L HN 0.359 nan 8.230 nan 0.000 0.435 682 H N -0.764 118.260 119.070 -0.076 0.000 2.436 682 H HA 0.019 4.575 4.556 0.000 0.000 0.294 682 H C 1.549 176.860 175.328 -0.028 0.000 1.048 682 H CA 0.859 56.885 56.048 -0.037 0.000 1.353 682 H CB 0.385 30.140 29.762 -0.011 0.000 1.414 682 H HN 0.325 nan 8.280 nan 0.000 0.536 683 N N 0.032 118.771 118.700 0.065 0.000 2.210 683 N HA 0.150 4.890 4.740 0.000 0.000 0.203 683 N C 0.154 175.716 175.510 0.086 0.000 1.175 683 N CA 0.164 53.277 53.050 0.105 0.000 0.894 683 N CB 0.988 39.611 38.487 0.227 0.000 1.041 683 N HN 0.093 nan 8.380 nan 0.000 0.506 684 A N 1.290 124.014 122.820 -0.160 0.000 2.386 684 A HA 0.492 4.812 4.320 0.000 0.000 0.248 684 A C 0.851 178.453 177.584 0.031 0.000 1.082 684 A CA 0.103 52.071 52.037 -0.115 0.000 0.789 684 A CB 0.286 19.048 19.000 -0.397 0.000 1.025 684 A HN 0.245 nan 8.150 nan 0.000 0.490 685 T N -1.793 112.828 114.554 0.113 0.000 2.742 685 T HA 0.453 4.803 4.350 0.000 0.000 0.282 685 T C 0.511 175.305 174.700 0.157 0.000 1.025 685 T CA -0.184 61.989 62.100 0.120 0.000 1.020 685 T CB 0.804 69.748 68.868 0.126 0.000 1.317 685 T HN 0.578 nan 8.240 nan 0.000 0.538 686 E N -0.442 119.877 120.200 0.198 0.000 2.265 686 E HA -0.094 4.256 4.350 0.000 0.000 0.196 686 E C 0.626 177.320 176.600 0.157 0.000 0.996 686 E CA 1.124 57.623 56.400 0.165 0.000 0.832 686 E CB -0.312 29.484 29.700 0.160 0.000 0.756 686 E HN 0.588 nan 8.360 nan 0.000 0.491 687 Y N 0.718 121.041 120.300 0.038 0.000 2.466 687 Y HA 0.136 4.686 4.550 0.000 0.000 0.272 687 Y C 0.665 176.595 175.900 0.050 0.000 1.169 687 Y CA -0.187 57.933 58.100 0.034 0.000 1.285 687 Y CB 0.404 38.873 38.460 0.016 0.000 1.078 687 Y HN -0.206 nan 8.280 nan 0.000 0.523 688 S N 0.905 116.735 115.700 0.217 0.000 2.585 688 S HA 0.355 4.825 4.470 0.000 0.000 0.277 688 S C -0.737 173.964 174.600 0.168 0.000 1.241 688 S CA -0.629 57.706 58.200 0.225 0.000 1.041 688 S CB 1.547 64.969 63.200 0.370 0.000 0.987 688 S HN 0.123 nan 8.310 nan 0.000 0.512 689 L N 4.108 125.428 121.223 0.163 0.000 2.255 689 L HA 0.477 4.817 4.340 0.000 0.000 0.289 689 L C -1.037 175.948 176.870 0.191 0.000 1.046 689 L CA -0.184 54.731 54.840 0.126 0.000 0.816 689 L CB 0.473 42.576 42.059 0.073 0.000 1.197 689 L HN 0.435 nan 8.230 nan 0.000 0.427 690 V N 6.791 126.801 119.914 0.160 0.000 2.370 690 V HA 0.457 4.577 4.120 0.000 0.000 0.279 690 V C 0.384 176.544 176.094 0.110 0.000 1.029 690 V CA -0.495 61.901 62.300 0.161 0.000 0.870 690 V CB 1.201 33.079 31.823 0.092 0.000 0.984 690 V HN 0.655 nan 8.190 nan 0.000 0.451 694 E N 1.546 121.670 120.200 -0.126 0.000 2.228 694 E HA -0.240 4.110 4.350 0.000 0.000 0.213 694 E C 0.553 177.151 176.600 -0.003 0.000 1.282 694 E CA 0.722 57.084 56.400 -0.063 0.000 0.707 694 E CB -1.371 28.210 29.700 -0.197 0.000 1.150 694 E HN 0.591 nan 8.360 nan 0.000 0.362 695 I N -2.847 117.715 120.570 -0.013 0.000 3.078 695 I HA 0.711 4.881 4.170 0.000 0.000 0.318 695 I C 0.866 177.145 176.117 0.271 0.000 1.016 695 I CA 0.191 61.538 61.300 0.078 0.000 1.130 695 I CB 1.589 39.592 38.000 0.004 0.000 1.397 695 I HN 0.099 nan 8.210 nan 0.000 0.570 696 G N 2.114 111.071 108.800 0.262 0.000 2.662 696 G HA2 -0.081 3.879 3.960 0.000 0.000 0.558 696 G HA3 -0.081 3.879 3.960 0.000 0.000 0.558 696 G C -0.763 174.344 174.900 0.345 0.000 1.081 696 G CA -0.695 44.602 45.100 0.328 0.000 1.261 696 G HN 0.948 nan 8.290 nan 0.000 0.559 697 R N 0.908 121.545 120.500 0.228 0.000 2.532 697 R HA 0.735 5.075 4.340 0.000 0.000 0.297 697 R C 0.729 177.120 176.300 0.152 0.000 0.984 697 R CA 0.226 56.447 56.100 0.202 0.000 0.884 697 R CB 1.475 31.872 30.300 0.161 0.000 1.182 697 R HN 0.933 nan 8.270 nan 0.000 0.442 698 G N -0.524 108.357 108.800 0.134 0.000 3.211 698 G HA2 0.241 4.201 3.960 0.000 0.000 0.262 698 G HA3 0.241 4.201 3.960 0.000 0.000 0.262 698 G C 0.277 175.225 174.900 0.080 0.000 1.352 698 G CA -0.115 45.042 45.100 0.097 0.000 1.004 698 G HN 0.539 nan 8.290 nan 0.000 0.559 699 T N -3.342 111.248 114.554 0.060 0.000 3.040 699 T HA 0.393 4.743 4.350 0.000 0.000 0.250 699 T C 0.932 175.650 174.700 0.030 0.000 1.058 699 T CA 0.749 62.877 62.100 0.047 0.000 0.988 699 T CB 0.263 69.158 68.868 0.044 0.000 0.993 699 T HN 0.484 nan 8.240 nan 0.000 0.519 700 S N -0.434 115.280 115.700 0.024 0.000 2.841 700 S HA 0.487 4.957 4.470 0.000 0.000 0.318 700 S C 1.240 175.814 174.600 -0.043 0.000 1.127 700 S CA -0.210 57.988 58.200 -0.004 0.000 0.883 700 S CB 1.208 64.412 63.200 0.006 0.000 1.271 700 S HN 0.212 nan 8.310 nan 0.000 0.567 701 T N 1.126 115.603 114.554 -0.129 0.000 2.652 701 T HA -0.081 4.269 4.350 0.000 0.000 0.267 701 T C 0.756 175.209 174.700 -0.411 0.000 1.039 701 T CA 1.895 63.791 62.100 -0.340 0.000 1.153 701 T CB -0.421 68.083 68.868 -0.606 0.000 0.863 701 T HN 0.609 nan 8.240 nan 0.000 0.428 702 Y N 0.152 120.442 120.300 -0.017 0.000 2.445 702 Y HA 0.277 4.827 4.550 0.000 0.000 0.247 702 Y C 1.822 177.678 175.900 -0.073 0.000 1.129 702 Y CA -1.232 56.826 58.100 -0.070 0.000 1.251 702 Y CB -0.261 38.154 38.460 -0.076 0.000 1.176 702 Y HN 0.076 nan 8.280 nan 0.000 0.522 703 D N 0.331 120.783 120.400 0.085 0.000 2.205 703 D HA -0.223 4.417 4.640 0.000 0.000 0.190 703 D C 2.471 178.803 176.300 0.053 0.000 1.002 703 D CA 2.203 56.238 54.000 0.059 0.000 0.848 703 D CB -0.513 40.318 40.800 0.053 0.000 0.975 703 D HN 0.362 nan 8.370 nan 0.000 0.449 704 G N 0.228 109.067 108.800 0.065 0.000 2.446 704 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 704 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 704 G C 1.666 176.578 174.900 0.019 0.000 1.168 704 G CA 1.077 46.238 45.100 0.101 0.000 0.771 704 G HN 0.384 nan 8.290 nan 0.000 0.551 705 L N 1.101 122.183 121.223 -0.235 0.000 2.079 705 L HA -0.012 4.329 4.340 0.000 0.000 0.210 705 L C 2.780 179.606 176.870 -0.073 0.000 1.081 705 L CA 2.508 57.048 54.840 -0.501 0.000 0.752 705 L CB -0.734 40.908 42.059 -0.693 0.000 0.896 705 L HN 0.153 nan 8.230 nan 0.000 0.433 706 S N -0.417 115.271 115.700 -0.021 0.000 2.370 706 S HA -0.140 4.330 4.470 0.000 0.000 0.226 706 S C 1.899 176.549 174.600 0.084 0.000 1.033 706 S CA 1.774 59.978 58.200 0.006 0.000 1.011 706 S CB -0.453 62.731 63.200 -0.027 0.000 0.852 706 S HN 0.497 nan 8.310 nan 0.000 0.457 707 L N 0.825 122.100 121.223 0.086 0.000 2.109 707 L HA -0.044 4.296 4.340 0.000 0.000 0.207 707 L C 2.695 179.666 176.870 0.167 0.000 1.086 707 L CA 1.083 55.989 54.840 0.111 0.000 0.760 707 L CB -0.561 41.557 42.059 0.098 0.000 0.910 707 L HN 0.299 nan 8.230 nan 0.000 0.437 708 A N -0.633 122.313 122.820 0.211 0.000 1.930 708 A HA -0.243 4.077 4.320 0.000 0.000 0.217 708 A C 2.144 179.880 177.584 0.252 0.000 1.175 708 A CA 1.086 53.320 52.037 0.328 0.000 0.627 708 A CB -0.862 18.408 19.000 0.451 0.000 0.815 708 A HN 0.651 nan 8.150 nan 0.000 0.443 709 W N 0.829 122.131 121.300 0.004 0.000 2.379 709 W HA -0.130 4.530 4.660 0.000 0.000 0.307 709 W C 2.300 178.774 176.519 -0.076 0.000 1.200 709 W CA 1.996 59.293 57.345 -0.079 0.000 1.297 709 W CB -0.511 28.898 29.460 -0.086 0.000 1.140 709 W HN 0.402 nan 8.180 nan 0.000 0.507 710 A N -0.197 122.813 122.820 0.316 0.000 1.930 710 A HA -0.188 4.132 4.320 0.000 0.000 0.217 710 A C 2.172 179.810 177.584 0.091 0.000 1.175 710 A CA 1.774 53.930 52.037 0.199 0.000 0.627 710 A CB -1.368 17.708 19.000 0.126 0.000 0.815 710 A HN 0.322 nan 8.150 nan 0.000 0.443 711 C N -1.054 118.302 119.300 0.092 0.000 2.453 711 C HA 0.073 4.533 4.460 0.000 0.000 0.277 711 C C 3.324 178.324 174.990 0.018 0.000 1.262 711 C CA 0.743 59.805 59.018 0.073 0.000 1.718 711 C CB -1.299 26.527 27.740 0.144 0.000 2.031 711 C HN 0.707 nan 8.230 nan 0.000 0.480 712 A N 0.337 123.102 122.820 -0.092 0.000 1.892 712 A HA -0.284 4.036 4.320 0.000 0.000 0.218 712 A C 2.127 179.558 177.584 -0.255 0.000 1.188 712 A CA 2.175 53.992 52.037 -0.367 0.000 0.631 712 A CB -0.791 17.672 19.000 -0.895 0.000 0.822 712 A HN 0.733 nan 8.150 nan 0.000 0.447 713 E N -0.268 119.807 120.200 -0.208 0.000 2.058 713 E HA -0.247 4.103 4.350 0.000 0.000 0.194 713 E C 2.103 178.665 176.600 -0.063 0.000 0.997 713 E CA 1.246 57.571 56.400 -0.126 0.000 0.801 713 E CB -0.259 29.433 29.700 -0.015 0.000 0.746 713 E HN 0.689 nan 8.360 nan 0.000 0.450 714 N N 0.586 119.266 118.700 -0.034 0.000 2.084 714 N HA -0.177 4.563 4.740 0.000 0.000 0.190 714 N C 2.181 177.670 175.510 -0.035 0.000 1.030 714 N CA 1.013 54.048 53.050 -0.025 0.000 0.849 714 N CB -0.164 38.311 38.487 -0.019 0.000 1.012 714 N HN 0.222 nan 8.380 nan 0.000 0.423 715 L N 0.719 121.917 121.223 -0.042 0.000 2.079 715 L HA -0.154 4.186 4.340 0.000 0.000 0.210 715 L C 2.575 179.421 176.870 -0.039 0.000 1.081 715 L CA 1.399 56.219 54.840 -0.035 0.000 0.752 715 L CB -0.335 41.719 42.059 -0.009 0.000 0.896 715 L HN 0.210 nan 8.230 nan 0.000 0.433 716 A N -0.337 122.444 122.820 -0.066 0.000 1.874 716 A HA -0.187 4.133 4.320 0.000 0.000 0.214 716 A C 2.030 179.588 177.584 -0.043 0.000 1.189 716 A CA 1.916 53.913 52.037 -0.066 0.000 0.615 716 A CB -0.468 18.465 19.000 -0.111 0.000 0.830 716 A HN 0.461 nan 8.150 nan 0.000 0.443 717 N N -1.583 117.094 118.700 -0.039 0.000 2.415 717 N HA 0.043 4.784 4.740 0.000 0.000 0.174 717 N C 1.529 177.032 175.510 -0.011 0.000 1.048 717 N CA 1.140 54.176 53.050 -0.023 0.000 0.895 717 N CB 0.065 38.540 38.487 -0.020 0.000 1.036 717 N HN 0.412 nan 8.380 nan 0.000 0.449 718 K N -0.554 119.840 120.400 -0.010 0.000 2.273 718 K HA 0.307 4.627 4.320 0.000 0.000 0.206 718 K C 1.648 178.249 176.600 0.003 0.000 1.072 718 K CA 0.311 56.598 56.287 -0.001 0.000 0.953 718 K CB 0.266 32.767 32.500 0.000 0.000 1.043 718 K HN 0.037 nan 8.250 nan 0.000 0.477 719 I N 1.553 122.120 120.570 -0.005 0.000 2.286 719 I HA -0.184 3.986 4.170 0.000 0.000 0.245 719 I C 0.269 176.394 176.117 0.014 0.000 1.104 719 I CA 0.974 62.275 61.300 0.001 0.000 1.397 719 I CB -0.098 37.890 38.000 -0.021 0.000 1.072 719 I HN 0.168 nan 8.210 nan 0.000 0.417 720 K N 0.279 120.681 120.400 0.003 0.000 3.129 720 K HA -0.177 4.143 4.320 0.000 0.000 0.273 720 K C 0.235 176.845 176.600 0.016 0.000 1.123 720 K CA 0.243 56.533 56.287 0.006 0.000 0.800 720 K CB -1.905 30.602 32.500 0.010 0.000 1.238 720 K HN 0.443 nan 8.250 nan 0.000 0.492 721 A N 0.739 123.571 122.820 0.020 0.000 2.327 721 A HA 0.435 4.755 4.320 0.000 0.000 0.255 721 A C 0.587 178.189 177.584 0.029 0.000 1.099 721 A CA -0.385 51.675 52.037 0.038 0.000 0.801 721 A CB 0.346 19.373 19.000 0.045 0.000 1.062 721 A HN 0.299 nan 8.150 nan 0.000 0.496 722 L N 1.220 122.466 121.223 0.037 0.000 2.361 722 L HA 0.299 4.639 4.340 0.000 0.000 0.278 722 L C -0.181 176.722 176.870 0.055 0.000 1.113 722 L CA 0.224 55.084 54.840 0.033 0.000 0.849 722 L CB 0.424 42.498 42.059 0.025 0.000 1.155 722 L HN 0.665 nan 8.230 nan 0.000 0.452 723 T N 4.928 119.517 114.554 0.058 0.000 2.879 723 T HA 0.499 4.849 4.350 0.000 0.000 0.290 723 T C -0.266 174.499 174.700 0.109 0.000 0.993 723 T CA -0.475 61.680 62.100 0.092 0.000 0.975 723 T CB 1.480 70.410 68.868 0.103 0.000 0.981 723 T HN 0.293 nan 8.240 nan 0.000 0.439 724 L N 3.553 124.844 121.223 0.113 0.000 2.280 724 L HA 0.568 4.908 4.340 0.000 0.000 0.287 724 L C -0.924 176.050 176.870 0.173 0.000 1.023 724 L CA -0.772 54.144 54.840 0.128 0.000 0.819 724 L CB 0.973 43.073 42.059 0.069 0.000 1.212 724 L HN 0.616 nan 8.230 nan 0.000 0.420 725 F N 3.607 123.588 119.950 0.051 0.000 2.453 725 F HA 0.553 5.080 4.527 0.000 0.000 0.358 725 F C 0.499 176.343 175.800 0.073 0.000 1.129 725 F CA -0.691 57.340 58.000 0.051 0.000 1.200 725 F CB 0.806 39.817 39.000 0.018 0.000 1.431 725 F HN 0.473 nan 8.300 nan 0.000 0.503 726 A N 3.159 126.019 122.820 0.067 0.000 2.440 726 A HA 0.681 5.002 4.320 0.000 0.000 0.251 726 A C -0.096 177.546 177.584 0.098 0.000 1.089 726 A CA 0.218 52.317 52.037 0.104 0.000 0.779 726 A CB 0.196 19.234 19.000 0.064 0.000 1.022 726 A HN 0.611 nan 8.150 nan 0.000 0.492 727 T N 1.036 115.712 114.554 0.202 0.000 2.868 727 T HA 0.482 4.832 4.350 0.000 0.000 0.306 727 T C 0.300 175.167 174.700 0.278 0.000 1.224 727 T CA -0.299 61.966 62.100 0.275 0.000 1.012 727 T CB 1.236 70.330 68.868 0.377 0.000 1.221 727 T HN 0.805 nan 8.240 nan 0.000 0.499 728 H N -0.582 118.469 119.070 -0.031 0.000 2.622 728 H HA 0.212 4.768 4.556 0.000 0.000 0.269 728 H C -0.589 174.766 175.328 0.045 0.000 0.977 728 H CA -0.277 55.756 56.048 -0.026 0.000 1.179 728 H CB -0.352 29.332 29.762 -0.131 0.000 1.458 728 H HN 0.455 nan 8.280 nan 0.000 0.531 729 Y N 0.958 121.199 120.300 -0.097 0.000 2.486 729 Y HA 0.096 4.646 4.550 0.000 0.000 0.348 729 Y C 0.900 176.890 175.900 0.150 0.000 1.000 729 Y CA -0.899 57.188 58.100 -0.021 0.000 1.253 729 Y CB 0.030 38.487 38.460 -0.005 0.000 1.140 729 Y HN 0.014 nan 8.280 nan 0.000 0.526 730 F N 1.651 121.719 119.950 0.196 0.000 2.407 730 F HA -0.079 4.448 4.527 0.000 0.000 0.299 730 F C 1.614 177.503 175.800 0.148 0.000 1.097 730 F CA 1.035 59.117 58.000 0.137 0.000 1.422 730 F CB 0.161 39.214 39.000 0.089 0.000 1.067 730 F HN 0.507 nan 8.300 nan 0.000 0.539 731 E N 0.514 120.895 120.200 0.301 0.000 2.130 731 E HA -0.234 4.116 4.350 0.000 0.000 0.196 731 E C 2.123 178.842 176.600 0.199 0.000 0.998 731 E CA 1.560 58.114 56.400 0.257 0.000 0.806 731 E CB -0.520 29.350 29.700 0.284 0.000 0.738 731 E HN 0.424 nan 8.360 nan 0.000 0.459 732 L N 0.845 122.134 121.223 0.111 0.000 2.353 732 L HA -0.108 4.232 4.340 0.000 0.000 0.220 732 L C 2.130 178.853 176.870 -0.245 0.000 1.133 732 L CA 1.353 56.117 54.840 -0.125 0.000 0.798 732 L CB -0.926 41.105 42.059 -0.047 0.000 0.922 732 L HN 0.311 nan 8.230 nan 0.000 0.445 733 T N -4.587 109.820 114.554 -0.245 0.000 3.113 733 T HA -0.158 4.192 4.350 0.000 0.000 0.263 733 T C 1.632 176.195 174.700 -0.228 0.000 1.143 733 T CA 0.540 62.456 62.100 -0.306 0.000 1.090 733 T CB 0.003 68.525 68.868 -0.578 0.000 0.922 733 T HN 0.139 nan 8.240 nan 0.000 0.521 734 Q N -0.074 119.629 119.800 -0.161 0.000 2.425 734 Q HA 0.415 4.755 4.340 0.000 0.000 0.204 734 Q C 1.845 177.773 176.000 -0.120 0.000 0.933 734 Q CA 0.194 55.962 55.803 -0.058 0.000 0.939 734 Q CB -0.495 28.316 28.738 0.122 0.000 1.044 734 Q HN 0.548 nan 8.270 nan 0.000 0.513 735 L N 0.438 121.460 121.223 -0.335 0.000 2.012 735 L HA -0.169 4.171 4.340 0.000 0.000 0.210 735 L C -0.747 175.988 176.870 -0.225 0.000 1.073 735 L CA 1.408 55.990 54.840 -0.429 0.000 0.748 735 L CB -1.276 40.407 42.059 -0.627 0.000 0.891 735 L HN 0.203 nan 8.230 nan 0.000 0.431 736 P HA -0.215 nan 4.420 nan 0.000 0.216 736 P C 1.266 178.525 177.300 -0.070 0.000 1.154 736 P CA 1.414 64.448 63.100 -0.109 0.000 0.865 736 P CB 0.028 31.675 31.700 -0.088 0.000 0.789 737 E N -0.580 119.588 120.200 -0.054 0.000 2.058 737 E HA -0.137 4.213 4.350 0.000 0.000 0.194 737 E C 0.708 177.301 176.600 -0.011 0.000 0.997 737 E CA 0.971 57.358 56.400 -0.021 0.000 0.801 737 E CB -0.077 29.622 29.700 -0.001 0.000 0.746 737 E HN 0.260 nan 8.360 nan 0.000 0.450 741 G N 1.411 110.188 108.800 -0.038 0.000 2.217 741 G HA2 -0.245 3.715 3.960 0.000 0.000 0.246 741 G HA3 -0.245 3.715 3.960 0.000 0.000 0.246 741 G C -0.092 174.779 174.900 -0.048 0.000 0.990 741 G CA 0.293 45.370 45.100 -0.038 0.000 0.627 741 G HN 0.518 nan 8.290 nan 0.000 0.522 742 V N 0.738 120.611 119.914 -0.068 0.000 2.547 742 V HA 0.896 5.016 4.120 0.000 0.000 0.299 742 V C 0.454 176.507 176.094 -0.067 0.000 1.040 742 V CA -0.071 62.177 62.300 -0.086 0.000 0.913 742 V CB 1.537 33.270 31.823 -0.150 0.000 0.992 742 V HN 1.445 nan 8.190 nan 0.000 0.449 743 A N 3.538 126.328 122.820 -0.049 0.000 2.539 743 A HA 0.743 5.063 4.320 0.000 0.000 0.296 743 A C -0.836 176.737 177.584 -0.017 0.000 1.073 743 A CA -0.822 51.198 52.037 -0.028 0.000 0.700 743 A CB 1.476 20.474 19.000 -0.004 0.000 1.296 743 A HN 0.691 nan 8.150 nan 0.000 0.405 744 N N 0.308 119.002 118.700 -0.009 0.000 2.479 744 N HA 0.569 5.309 4.740 0.000 0.000 0.285 744 N C -0.477 175.070 175.510 0.062 0.000 1.075 744 N CA -0.008 53.050 53.050 0.014 0.000 0.967 744 N CB 1.892 40.373 38.487 -0.010 0.000 1.137 744 N HN 0.910 nan 8.380 nan 0.000 0.472 745 V N -0.613 119.355 119.914 0.089 0.000 3.130 745 V HA 0.695 4.815 4.120 0.000 0.000 0.310 745 V C -0.810 175.368 176.094 0.141 0.000 1.158 745 V CA -0.808 61.542 62.300 0.084 0.000 1.029 745 V CB 2.496 34.340 31.823 0.036 0.000 1.057 745 V HN 0.869 nan 8.190 nan 0.000 0.436 746 H N 1.704 120.773 119.070 -0.002 0.000 3.012 746 H HA 0.655 5.211 4.556 0.000 0.000 0.367 746 H C -2.117 173.195 175.328 -0.026 0.000 1.211 746 H CA -1.156 54.904 56.048 0.019 0.000 1.139 746 H CB 1.917 31.726 29.762 0.077 0.000 1.838 746 H HN 0.649 nan 8.280 nan 0.000 0.550 747 L N 2.519 123.769 121.223 0.045 0.000 2.278 747 L HA 0.129 4.469 4.340 0.000 0.000 0.287 747 L C 0.401 177.320 176.870 0.082 0.000 1.072 747 L CA -0.055 54.764 54.840 -0.036 0.000 0.819 747 L CB 0.491 42.539 42.059 -0.018 0.000 1.176 747 L HN 0.588 nan 8.230 nan 0.000 0.435 748 D N 2.618 123.014 120.400 -0.008 0.000 2.389 748 D HA 0.513 5.153 4.640 0.000 0.000 0.247 748 D C -0.463 175.828 176.300 -0.014 0.000 1.128 748 D CA 0.211 54.257 54.000 0.077 0.000 0.884 748 D CB 1.169 41.964 40.800 -0.008 0.000 1.194 748 D HN 0.593 nan 8.370 nan 0.000 0.441 749 A N 3.505 126.290 122.820 -0.058 0.000 2.413 749 A HA 0.707 5.027 4.320 0.000 0.000 0.307 749 A C -1.188 176.269 177.584 -0.212 0.000 1.087 749 A CA -0.724 51.154 52.037 -0.265 0.000 0.750 749 A CB 1.122 19.730 19.000 -0.654 0.000 1.296 749 A HN 0.569 nan 8.150 nan 0.000 0.423 750 L N 1.591 122.661 121.223 -0.256 0.000 2.349 750 L HA 0.417 4.757 4.340 0.000 0.000 0.278 750 L C -0.292 176.489 176.870 -0.149 0.000 0.996 750 L CA -0.235 54.480 54.840 -0.208 0.000 0.825 750 L CB 1.829 43.699 42.059 -0.314 0.000 1.243 750 L HN 0.786 nan 8.230 nan 0.000 0.412 751 E N 3.534 123.735 120.200 0.001 0.000 2.146 751 E HA 0.265 4.615 4.350 0.000 0.000 0.282 751 E C -1.035 175.707 176.600 0.237 0.000 0.989 751 E CA -0.611 55.880 56.400 0.152 0.000 0.799 751 E CB 0.830 30.615 29.700 0.141 0.000 1.088 751 E HN 0.431 nan 8.360 nan 0.000 0.397 752 H N 2.344 121.381 119.070 -0.055 0.000 2.569 752 H HA 0.450 5.006 4.556 0.000 0.000 0.247 752 H C 0.559 175.865 175.328 -0.037 0.000 1.346 752 H CA -0.808 55.216 56.048 -0.041 0.000 1.502 752 H CB 0.095 29.829 29.762 -0.047 0.000 1.512 752 H HN 0.753 nan 8.280 nan 0.000 0.502 753 G N 2.266 111.080 108.800 0.024 0.000 2.525 753 G HA2 -0.279 3.681 3.960 0.000 0.000 0.248 753 G HA3 -0.279 3.681 3.960 0.000 0.000 0.248 753 G C -0.791 174.069 174.900 -0.066 0.000 1.238 753 G CA -0.162 44.919 45.100 -0.032 0.000 0.926 753 G HN 0.556 nan 8.290 nan 0.000 0.574 754 D N 1.684 122.035 120.400 -0.082 0.000 2.416 754 D HA 0.559 5.199 4.640 0.000 0.000 0.240 754 D C 0.544 176.762 176.300 -0.136 0.000 1.250 754 D CA 1.757 55.708 54.000 -0.081 0.000 0.967 754 D CB 0.774 41.539 40.800 -0.059 0.000 1.059 754 D HN 0.786 nan 8.370 nan 0.000 0.512 755 T N 1.051 115.516 114.554 -0.147 0.000 2.786 755 T HA 0.236 4.586 4.350 0.000 0.000 0.301 755 T C -2.230 172.363 174.700 -0.179 0.000 1.846 755 T CA -0.813 61.166 62.100 -0.202 0.000 1.002 755 T CB 0.006 68.673 68.868 -0.334 0.000 1.986 755 T HN 0.259 nan 8.240 nan 0.000 0.527 756 I N 2.112 122.550 120.570 -0.221 0.000 2.610 756 I HA 0.761 4.931 4.170 0.000 0.000 0.289 756 I C -0.787 175.040 176.117 -0.483 0.000 1.163 756 I CA -0.676 60.451 61.300 -0.288 0.000 1.044 756 I CB 1.401 39.172 38.000 -0.382 0.000 1.251 756 I HN 0.953 nan 8.210 nan 0.000 0.424 757 A N 6.856 129.499 122.820 -0.294 0.000 2.292 757 A HA 0.747 5.067 4.320 0.000 0.000 0.319 757 A C -1.107 176.151 177.584 -0.544 0.000 1.206 757 A CA -0.284 51.546 52.037 -0.344 0.000 0.835 757 A CB 0.380 19.313 19.000 -0.112 0.000 1.164 757 A HN 0.605 nan 8.150 nan 0.000 0.505 761 S N 0.228 115.883 115.700 -0.074 0.000 2.502 761 S HA 0.573 5.043 4.470 0.000 0.000 0.304 761 S C 0.119 174.597 174.600 -0.202 0.000 1.097 761 S CA -0.647 57.482 58.200 -0.117 0.000 1.045 761 S CB 2.694 65.843 63.200 -0.086 0.000 1.019 761 S HN 0.003 nan 8.310 nan 0.000 0.481 762 V N 4.142 123.893 119.914 -0.273 0.000 2.508 762 V HA 0.329 4.449 4.120 0.000 0.000 0.281 762 V C -0.010 175.904 176.094 -0.300 0.000 1.041 762 V CA -0.137 61.938 62.300 -0.375 0.000 1.016 762 V CB 0.535 32.006 31.823 -0.588 0.000 0.984 762 V HN 0.849 nan 8.190 nan 0.000 0.478 763 Q N 2.213 121.754 119.800 -0.431 0.000 2.387 763 Q HA 0.454 4.794 4.340 0.000 0.000 0.273 763 Q C -0.880 174.962 176.000 -0.263 0.000 1.089 763 Q CA -0.818 54.754 55.803 -0.384 0.000 0.824 763 Q CB 2.278 30.671 28.738 -0.574 0.000 1.367 763 Q HN 0.663 nan 8.270 nan 0.000 0.443 764 D N 0.364 120.716 120.400 -0.079 0.000 2.362 764 D HA 0.450 5.090 4.640 0.000 0.000 0.242 764 D C 0.767 177.141 176.300 0.123 0.000 1.132 764 D CA 0.879 54.890 54.000 0.018 0.000 0.907 764 D CB 0.847 41.659 40.800 0.020 0.000 1.195 764 D HN 0.698 nan 8.370 nan 0.000 0.429 765 G N -0.209 108.664 108.800 0.123 0.000 2.796 765 G HA2 0.178 4.138 3.960 0.000 0.000 0.571 765 G HA3 0.178 4.138 3.960 0.000 0.000 0.571 765 G C -0.410 174.614 174.900 0.206 0.000 1.370 765 G CA -0.326 44.852 45.100 0.130 0.000 0.856 765 G HN 0.721 nan 8.290 nan 0.000 0.538 766 A N -0.097 122.753 122.820 0.050 0.000 2.302 766 A HA 0.966 5.286 4.320 0.000 0.000 0.285 766 A C 1.061 178.469 177.584 -0.294 0.000 1.105 766 A CA 1.042 53.047 52.037 -0.052 0.000 0.816 766 A CB 0.651 19.556 19.000 -0.158 0.000 1.067 766 A HN 2.626 nan 8.150 nan 0.000 0.489 767 A N 0.972 123.523 122.820 -0.448 0.000 2.507 767 A HA 0.359 4.679 4.320 0.000 0.000 0.235 767 A C 1.555 179.086 177.584 -0.087 0.000 1.070 767 A CA 0.588 52.298 52.037 -0.545 0.000 0.768 767 A CB -0.054 18.913 19.000 -0.056 0.000 1.011 767 A HN 1.451 nan 8.150 nan 0.000 0.502 768 S N 0.521 116.170 115.700 -0.085 0.000 2.423 768 S HA -0.051 4.419 4.470 0.000 0.000 0.231 768 S C 0.747 175.306 174.600 -0.069 0.000 1.014 768 S CA 1.627 59.816 58.200 -0.019 0.000 0.965 768 S CB -0.538 62.649 63.200 -0.022 0.000 0.785 768 S HN 0.859 nan 8.310 nan 0.000 0.495 769 K N -0.284 119.988 120.400 -0.213 0.000 2.578 769 K HA 0.498 4.818 4.320 0.000 0.000 0.287 769 K C -1.130 175.093 176.600 -0.629 0.000 1.010 769 K CA -0.864 55.112 56.287 -0.518 0.000 0.889 769 K CB 1.075 33.240 32.500 -0.558 0.000 1.514 769 K HN 0.061 nan 8.250 nan 0.000 0.424 770 S N -0.233 115.064 115.700 -0.672 0.000 2.654 770 S HA 0.397 4.867 4.470 0.000 0.000 0.283 770 S C -0.490 173.839 174.600 -0.452 0.000 1.180 770 S CA -0.661 57.321 58.200 -0.364 0.000 1.021 770 S CB 0.159 63.242 63.200 -0.195 0.000 1.018 770 S HN 0.627 nan 8.310 nan 0.000 0.532 771 Y N 0.140 120.451 120.300 0.018 0.000 2.713 771 Y HA 0.389 4.939 4.550 0.000 0.000 0.269 771 Y C 1.852 177.776 175.900 0.040 0.000 1.106 771 Y CA -0.718 57.399 58.100 0.028 0.000 1.174 771 Y CB -0.111 38.387 38.460 0.064 0.000 1.186 771 Y HN 0.886 nan 8.280 nan 0.000 0.555 772 G N 0.681 109.550 108.800 0.114 0.000 2.446 772 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 772 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 772 G C 1.555 176.501 174.900 0.076 0.000 1.168 772 G CA 1.056 46.212 45.100 0.093 0.000 0.771 772 G HN 0.414 nan 8.290 nan 0.000 0.551 773 L N 0.507 121.759 121.223 0.048 0.000 2.083 773 L HA -0.045 4.295 4.340 0.000 0.000 0.209 773 L C 3.391 180.292 176.870 0.052 0.000 1.083 773 L CA 1.071 55.933 54.840 0.036 0.000 0.752 773 L CB -0.535 41.530 42.059 0.010 0.000 0.899 773 L HN 0.330 nan 8.230 nan 0.000 0.433 774 A N -0.203 122.667 122.820 0.084 0.000 1.897 774 A HA -0.098 4.222 4.320 0.000 0.000 0.215 774 A C 2.333 179.964 177.584 0.077 0.000 1.181 774 A CA 1.312 53.397 52.037 0.080 0.000 0.620 774 A CB -0.702 18.373 19.000 0.124 0.000 0.821 774 A HN 0.172 nan 8.150 nan 0.000 0.443 775 V N -0.075 119.911 119.914 0.120 0.000 2.407 775 V HA -0.250 3.870 4.120 0.000 0.000 0.248 775 V C 2.972 179.115 176.094 0.082 0.000 1.055 775 V CA 1.921 64.297 62.300 0.127 0.000 1.049 775 V CB -1.065 30.853 31.823 0.158 0.000 0.662 775 V HN 0.604 nan 8.190 nan 0.000 0.455 776 A N -0.315 122.543 122.820 0.064 0.000 1.968 776 A HA 0.068 4.388 4.320 0.000 0.000 0.217 776 A C 2.386 179.989 177.584 0.031 0.000 1.169 776 A CA 1.560 53.623 52.037 0.042 0.000 0.638 776 A CB -0.527 18.494 19.000 0.035 0.000 0.812 776 A HN 0.533 nan 8.150 nan 0.000 0.446 777 A N -0.317 122.520 122.820 0.028 0.000 1.930 777 A HA -0.009 4.311 4.320 0.000 0.000 0.217 777 A C 2.062 179.653 177.584 0.012 0.000 1.175 777 A CA 1.613 53.659 52.037 0.014 0.000 0.627 777 A CB -0.566 18.439 19.000 0.008 0.000 0.815 777 A HN 0.606 nan 8.150 nan 0.000 0.443 778 L N -0.073 121.162 121.223 0.021 0.000 2.079 778 L HA -0.070 4.270 4.340 0.000 0.000 0.210 778 L C 2.479 179.365 176.870 0.027 0.000 1.081 778 L CA 2.140 56.992 54.840 0.021 0.000 0.752 778 L CB -0.672 41.414 42.059 0.045 0.000 0.896 778 L HN 0.326 nan 8.230 nan 0.000 0.433 779 A N -1.359 121.480 122.820 0.032 0.000 2.239 779 A HA 0.341 4.661 4.320 0.000 0.000 0.209 779 A C 1.778 179.372 177.584 0.016 0.000 1.171 779 A CA 0.864 52.916 52.037 0.026 0.000 0.768 779 A CB -0.912 18.104 19.000 0.027 0.000 0.790 779 A HN 0.888 nan 8.150 nan 0.000 0.478 780 G N -2.104 106.703 108.800 0.012 0.000 2.179 780 G HA2 -0.186 3.774 3.960 0.000 0.000 0.220 780 G HA3 -0.186 3.774 3.960 0.000 0.000 0.220 780 G C 0.221 175.124 174.900 0.005 0.000 0.990 780 G CA -0.076 45.028 45.100 0.006 0.000 0.646 780 G HN 0.744 nan 8.290 nan 0.000 0.517 781 V N 2.771 122.690 119.914 0.008 0.000 2.644 781 V HA 0.215 4.335 4.120 0.000 0.000 0.305 781 V C -0.929 175.167 176.094 0.003 0.000 1.053 781 V CA -0.156 62.148 62.300 0.006 0.000 1.186 781 V CB 0.535 32.364 31.823 0.009 0.000 0.895 781 V HN 0.242 nan 8.190 nan 0.000 0.490 782 P HA 0.014 nan 4.420 nan 0.000 0.264 782 P C 0.658 177.958 177.300 -0.001 0.000 1.179 782 P CA 0.181 63.281 63.100 -0.000 0.000 0.763 782 P CB 0.438 32.138 31.700 -0.000 0.000 0.806 783 K N 1.925 122.323 120.400 -0.003 0.000 2.147 783 K HA -0.209 4.111 4.320 0.000 0.000 0.205 783 K C 1.757 178.355 176.600 -0.003 0.000 1.049 783 K CA 1.554 57.839 56.287 -0.004 0.000 0.936 783 K CB -0.028 32.469 32.500 -0.006 0.000 0.722 783 K HN 0.518 nan 8.250 nan 0.000 0.446 784 E N 0.824 121.022 120.200 -0.003 0.000 2.204 784 E HA -0.127 4.223 4.350 0.000 0.000 0.194 784 E C 1.565 178.164 176.600 -0.002 0.000 0.989 784 E CA 0.873 57.271 56.400 -0.003 0.000 0.824 784 E CB 0.107 29.805 29.700 -0.002 0.000 0.756 784 E HN -0.007 nan 8.360 nan 0.000 0.477 785 V N 0.868 120.781 119.914 -0.001 0.000 2.346 785 V HA -0.177 3.943 4.120 0.000 0.000 0.244 785 V C 2.338 178.432 176.094 0.000 0.000 1.037 785 V CA 1.257 63.557 62.300 0.000 0.000 1.029 785 V CB -0.407 31.417 31.823 0.001 0.000 0.663 785 V HN 0.351 nan 8.190 nan 0.000 0.454 786 I N 0.676 121.246 120.570 0.000 0.000 2.208 786 I HA -0.285 3.885 4.170 0.000 0.000 0.245 786 I C 2.496 178.611 176.117 -0.002 0.000 1.097 786 I CA 2.054 63.355 61.300 0.001 0.000 1.363 786 I CB -1.047 36.954 38.000 0.002 0.000 1.051 786 I HN 0.426 nan 8.210 nan 0.000 0.413 787 K N 1.013 121.411 120.400 -0.003 0.000 2.057 787 K HA -0.239 4.081 4.320 0.000 0.000 0.207 787 K C 2.320 178.917 176.600 -0.005 0.000 1.049 787 K CA 1.526 57.810 56.287 -0.005 0.000 0.931 787 K CB -0.044 32.453 32.500 -0.005 0.000 0.714 787 K HN -0.043 nan 8.250 nan 0.000 0.440 788 R N 0.492 120.989 120.500 -0.004 0.000 2.115 788 R HA 0.026 4.366 4.340 0.000 0.000 0.230 788 R C 1.963 178.261 176.300 -0.004 0.000 1.111 788 R CA 1.534 57.632 56.100 -0.004 0.000 0.976 788 R CB -0.591 29.708 30.300 -0.002 0.000 0.870 788 R HN 0.360 nan 8.270 nan 0.000 0.445 789 A N 0.346 123.164 122.820 -0.004 0.000 1.898 789 A HA -0.131 4.189 4.320 0.000 0.000 0.216 789 A C 2.108 179.686 177.584 -0.010 0.000 1.181 789 A CA 1.463 53.497 52.037 -0.005 0.000 0.620 789 A CB -0.386 18.613 19.000 -0.002 0.000 0.819 789 A HN 0.329 nan 8.150 nan 0.000 0.442 790 R N -0.719 119.774 120.500 -0.011 0.000 2.096 790 R HA -0.167 4.173 4.340 0.000 0.000 0.235 790 R C 2.530 178.819 176.300 -0.017 0.000 1.127 790 R CA 1.571 57.661 56.100 -0.018 0.000 0.968 790 R CB -0.307 29.983 30.300 -0.016 0.000 0.861 790 R HN 0.789 nan 8.270 nan 0.000 0.440 791 Q N 1.049 120.842 119.800 -0.012 0.000 2.046 791 Q HA -0.219 4.121 4.340 0.000 0.000 0.200 791 Q C 1.929 177.923 176.000 -0.010 0.000 0.975 791 Q CA 1.596 57.393 55.803 -0.011 0.000 0.836 791 Q CB 0.078 28.811 28.738 -0.008 0.000 0.896 791 Q HN -0.035 nan 8.270 nan 0.000 0.428 792 K N 0.573 120.968 120.400 -0.008 0.000 2.063 792 K HA -0.178 4.142 4.320 0.000 0.000 0.208 792 K C 1.946 178.540 176.600 -0.009 0.000 1.048 792 K CA 1.136 57.419 56.287 -0.006 0.000 0.928 792 K CB -0.676 31.821 32.500 -0.004 0.000 0.713 792 K HN 0.272 nan 8.250 nan 0.000 0.442 793 L N 1.346 122.560 121.223 -0.016 0.000 2.042 793 L HA -0.157 4.183 4.340 0.000 0.000 0.210 793 L C 1.941 178.795 176.870 -0.027 0.000 1.076 793 L CA 1.803 56.628 54.840 -0.025 0.000 0.749 793 L CB -0.464 41.572 42.059 -0.039 0.000 0.893 793 L HN 0.182 nan 8.230 nan 0.000 0.432 794 R N -0.520 119.966 120.500 -0.024 0.000 2.115 794 R HA -0.135 4.205 4.340 0.000 0.000 0.230 794 R C 2.071 178.362 176.300 -0.014 0.000 1.111 794 R CA 1.383 57.469 56.100 -0.023 0.000 0.976 794 R CB -0.445 29.842 30.300 -0.020 0.000 0.870 794 R HN 0.559 nan 8.270 nan 0.000 0.445 795 E N 1.084 121.279 120.200 -0.009 0.000 2.031 795 E HA -0.152 4.198 4.350 0.000 0.000 0.193 795 E C 2.138 178.738 176.600 0.000 0.000 0.994 795 E CA 1.121 57.519 56.400 -0.004 0.000 0.800 795 E CB -0.123 29.576 29.700 -0.001 0.000 0.752 795 E HN 0.225 nan 8.360 nan 0.000 0.447 796 L N 0.832 122.056 121.223 0.001 0.000 2.046 796 L HA -0.201 4.140 4.340 0.000 0.000 0.208 796 L C 2.193 179.068 176.870 0.008 0.000 1.077 796 L CA 1.210 56.056 54.840 0.011 0.000 0.747 796 L CB -0.344 41.724 42.059 0.015 0.000 0.896 796 L HN 0.128 nan 8.230 nan 0.000 0.432 797 E N -0.380 119.816 120.200 -0.007 0.000 2.472 797 E HA -0.147 4.204 4.350 0.000 0.000 0.200 797 E C 2.022 178.619 176.600 -0.004 0.000 1.046 797 E CA 1.054 57.446 56.400 -0.012 0.000 0.871 797 E CB 0.043 29.722 29.700 -0.035 0.000 0.806 797 E HN 0.504 nan 8.360 nan 0.000 0.533 798 S N -0.311 115.388 115.700 -0.002 0.000 2.548 798 S HA 0.067 4.537 4.470 0.000 0.000 0.215 798 S C 1.795 176.397 174.600 0.004 0.000 0.976 798 S CA -0.214 57.986 58.200 -0.000 0.000 0.908 798 S CB -0.147 63.052 63.200 -0.002 0.000 0.781 798 S HN 0.152 nan 8.310 nan 0.000 0.519 799 I N 1.338 121.913 120.570 0.008 0.000 2.208 799 I HA -0.078 4.092 4.170 0.000 0.000 0.245 799 I C 1.762 177.882 176.117 0.006 0.000 1.097 799 I CA 0.880 62.185 61.300 0.008 0.000 1.363 799 I CB -0.311 37.698 38.000 0.015 0.000 1.051 799 I HN 0.329 nan 8.210 nan 0.000 0.413 800 S N 0.000 115.706 115.700 0.010 0.000 2.498 800 S HA 0.000 4.470 4.470 0.000 0.000 0.327 800 S CA 0.000 58.206 58.200 0.010 0.000 1.107 800 S CB 0.000 63.210 63.200 0.017 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517