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 3jtm_1_A DATA FIRST_RESID 28 DATA SEQUENCE DSKKIVGVFY KANEYATKNP NFLGCVENAL GIRDWLESQG HQYIVTDDKE DATA SEQUENCE GPDCELEKHI PDLHVLISTP FHPAYVTAER IKKAKNLKLL LTAGIGSDHI DATA SEQUENCE DLQAAAAAGL TVAEVTGSNV VSVAEDELMR ILILMRNFVP GYNQVVKGEW DATA SEQUENCE NVAGIAYRAY DLEGKTIGTV GAGRIGKLLL QRLKPFGCNL LYHDRLQMAP DATA SEQUENCE ELEKETGAKF VEDLNEMLPK CDVIVINMPL TEKTRGMFNK ELIGKLKKGV DATA SEQUENCE LIVNNARGAI MERQAVVDAV ESGHIGGYSG DVWDPQPAPK DHPWRYMPNQ DATA SEQUENCE AMTPHTSGTT IDAQLRYAAG TKDMLERYFK GEDFPTENYI VKDGELAPQY DATA SEQUENCE R 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.252 176.300 -0.080 0.000 2.045 28 D CA 0.000 53.954 54.000 -0.077 0.000 0.868 28 D CB 0.000 40.763 40.800 -0.062 0.000 0.688 29 S N 2.570 118.217 115.700 -0.089 0.000 2.537 29 S HA 0.250 4.732 4.470 0.019 0.000 0.286 29 S C -0.004 174.622 174.600 0.044 0.000 1.299 29 S CA -0.197 57.975 58.200 -0.046 0.000 1.067 29 S CB 0.423 63.582 63.200 -0.069 0.000 0.864 29 S HN 0.141 nan 8.310 nan 0.000 0.494 30 K N 2.205 122.747 120.400 0.236 0.000 2.267 30 K HA 0.383 4.714 4.320 0.019 0.000 0.246 30 K C -0.304 176.460 176.600 0.273 0.000 0.954 30 K CA -0.804 55.508 56.287 0.040 0.000 0.824 30 K CB 1.753 34.263 32.500 0.017 0.000 1.167 30 K HN 0.476 nan 8.250 nan 0.000 0.431 31 K N 2.967 123.678 120.400 0.518 0.000 2.264 31 K HA 0.276 4.608 4.320 0.019 0.000 0.277 31 K C -0.632 176.146 176.600 0.297 0.000 1.067 31 K CA -0.478 56.019 56.287 0.348 0.000 0.900 31 K CB 0.458 33.123 32.500 0.275 0.000 1.124 31 K HN 0.373 nan 8.250 nan 0.000 0.469 32 I N 5.257 125.978 120.570 0.251 0.000 2.354 32 I HA 0.264 4.446 4.170 0.019 0.000 0.292 32 I C -0.323 175.950 176.117 0.261 0.000 0.989 32 I CA -0.961 60.489 61.300 0.250 0.000 1.188 32 I CB 1.348 39.502 38.000 0.257 0.000 1.342 32 I HN 0.293 nan 8.210 nan 0.000 0.457 33 V N 5.095 125.103 119.914 0.156 0.000 2.417 33 V HA 0.726 4.857 4.120 0.019 0.000 0.291 33 V C 0.522 176.644 176.094 0.048 0.000 1.024 33 V CA -0.533 61.798 62.300 0.052 0.000 0.861 33 V CB 1.830 33.645 31.823 -0.013 0.000 0.985 33 V HN 0.926 nan 8.190 nan 0.000 0.436 34 G N 3.347 112.138 108.800 -0.016 0.000 2.417 34 G HA2 0.608 4.579 3.960 0.019 0.000 0.320 34 G HA3 0.608 4.579 3.960 0.019 0.000 0.320 34 G C -1.167 173.439 174.900 -0.489 0.000 1.204 34 G CA -0.428 44.567 45.100 -0.174 0.000 0.923 34 G HN 0.527 nan 8.290 nan 0.000 0.466 35 V N 2.650 122.083 119.914 -0.801 0.000 2.384 35 V HA 0.697 4.829 4.120 0.019 0.000 0.287 35 V C -0.772 174.809 176.094 -0.856 0.000 1.020 35 V CA -0.389 61.581 62.300 -0.550 0.000 0.850 35 V CB 0.476 32.144 31.823 -0.258 0.000 0.987 35 V HN 0.627 nan 8.190 nan 0.000 0.436 36 F N 3.052 123.034 119.950 0.053 0.000 2.662 36 F HA 0.594 5.131 4.527 0.018 0.000 0.312 36 F C -0.300 175.407 175.800 -0.154 0.000 1.113 36 F CA -1.267 56.697 58.000 -0.059 0.000 0.951 36 F CB 1.399 40.288 39.000 -0.185 0.000 1.344 36 F HN 0.568 nan 8.300 nan 0.000 0.462 37 Y N -0.403 119.854 120.300 -0.071 0.000 2.314 37 Y HA 0.492 5.055 4.550 0.021 0.000 0.334 37 Y C -0.351 175.440 175.900 -0.182 0.000 1.266 37 Y CA -1.822 56.012 58.100 -0.443 0.000 1.391 37 Y CB 0.208 38.438 38.460 -0.382 0.000 1.306 37 Y HN 0.391 nan 8.280 nan 0.000 0.558 38 K N 1.420 121.884 120.400 0.107 0.000 2.339 38 K HA 0.463 4.794 4.320 0.019 0.000 0.286 38 K C 0.267 176.962 176.600 0.158 0.000 1.050 38 K CA 0.268 56.600 56.287 0.076 0.000 0.956 38 K CB 1.008 33.518 32.500 0.016 0.000 0.990 38 K HN 0.892 nan 8.250 nan 0.000 0.475 39 A N 3.990 126.839 122.820 0.048 0.000 2.267 39 A HA 0.004 4.335 4.320 0.019 0.000 0.213 39 A C 0.558 178.165 177.584 0.037 0.000 1.192 39 A CA 0.105 52.174 52.037 0.054 0.000 0.851 39 A CB -0.277 18.498 19.000 -0.374 0.000 0.881 39 A HN 1.000 nan 8.150 nan 0.000 0.494 40 N N 0.411 119.084 118.700 -0.044 0.000 1.188 40 N HA -0.263 4.488 4.740 0.019 0.000 0.128 40 N C 1.141 176.574 175.510 -0.130 0.000 0.759 40 N CA 1.725 54.720 53.050 -0.092 0.000 0.905 40 N CB -1.012 37.405 38.487 -0.116 0.000 1.156 40 N HN 0.664 nan 8.380 nan 0.000 0.553 41 E N 1.485 121.545 120.200 -0.234 0.000 2.265 41 E HA -0.172 4.190 4.350 0.019 0.000 0.196 41 E C 1.791 178.310 176.600 -0.134 0.000 0.996 41 E CA 1.573 57.846 56.400 -0.210 0.000 0.832 41 E CB -0.676 28.867 29.700 -0.262 0.000 0.756 41 E HN 0.796 nan 8.360 nan 0.000 0.491 42 Y N 1.335 121.657 120.300 0.037 0.000 2.333 42 Y HA -0.065 4.495 4.550 0.016 0.000 0.290 42 Y C 2.791 178.757 175.900 0.110 0.000 1.144 42 Y CA 0.831 59.000 58.100 0.115 0.000 1.228 42 Y CB -0.255 38.343 38.460 0.229 0.000 0.985 42 Y HN 0.185 nan 8.280 nan 0.000 0.542 43 A N -0.034 122.834 122.820 0.080 0.000 2.014 43 A HA -0.144 4.187 4.320 0.019 0.000 0.218 43 A C 2.222 179.819 177.584 0.023 0.000 1.163 43 A CA 1.829 53.845 52.037 -0.035 0.000 0.652 43 A CB -0.995 17.900 19.000 -0.175 0.000 0.808 43 A HN 0.489 nan 8.150 nan 0.000 0.449 44 T N -2.398 112.168 114.554 0.021 0.000 3.009 44 T HA 0.049 4.411 4.350 0.019 0.000 0.258 44 T C 1.738 176.465 174.700 0.046 0.000 1.063 44 T CA 0.999 63.111 62.100 0.020 0.000 1.139 44 T CB -0.177 68.689 68.868 -0.004 0.000 0.890 44 T HN 0.455 nan 8.240 nan 0.000 0.471 45 K N 1.398 121.843 120.400 0.076 0.000 2.147 45 K HA 0.030 4.361 4.320 0.019 0.000 0.205 45 K C 0.674 177.335 176.600 0.102 0.000 1.049 45 K CA 0.861 57.203 56.287 0.093 0.000 0.936 45 K CB -0.023 32.557 32.500 0.134 0.000 0.722 45 K HN 0.241 nan 8.250 nan 0.000 0.446 46 N N -0.224 118.560 118.700 0.139 0.000 2.648 46 N HA 0.162 4.913 4.740 0.019 0.000 0.261 46 N C -2.613 172.975 175.510 0.130 0.000 1.138 46 N CA -2.014 51.113 53.050 0.128 0.000 0.804 46 N CB 1.564 40.136 38.487 0.143 0.000 1.237 46 N HN -0.260 nan 8.380 nan 0.000 0.532 47 P HA 0.030 nan 4.420 nan 0.000 0.228 47 P C 0.379 177.711 177.300 0.054 0.000 1.151 47 P CA 0.814 63.944 63.100 0.050 0.000 0.770 47 P CB 0.327 32.044 31.700 0.028 0.000 0.786 48 N N -1.226 117.511 118.700 0.061 0.000 2.398 48 N HA -0.011 4.740 4.740 0.019 0.000 0.188 48 N C 0.142 175.707 175.510 0.092 0.000 1.122 48 N CA -0.000 53.076 53.050 0.043 0.000 0.866 48 N CB -0.284 38.205 38.487 0.004 0.000 0.970 48 N HN 0.275 nan 8.380 nan 0.000 0.462 49 F N 2.207 122.125 119.950 -0.052 0.000 2.651 49 F HA 0.103 4.641 4.527 0.018 0.000 0.347 49 F C 1.062 176.803 175.800 -0.099 0.000 1.284 49 F CA -0.470 57.491 58.000 -0.065 0.000 1.175 49 F CB 0.085 39.070 39.000 -0.024 0.000 1.542 49 F HN -0.072 nan 8.300 nan 0.000 0.661 50 L N 4.144 125.480 121.223 0.188 0.000 2.341 50 L HA 0.048 4.399 4.340 0.019 0.000 0.214 50 L C 2.085 178.858 176.870 -0.161 0.000 1.115 50 L CA 0.541 55.373 54.840 -0.015 0.000 0.820 50 L CB -0.394 41.647 42.059 -0.029 0.000 0.944 50 L HN 0.614 nan 8.230 nan 0.000 0.452 51 G N 0.392 109.181 108.800 -0.018 0.000 3.455 51 G HA2 0.269 4.241 3.960 0.019 0.000 0.250 51 G HA3 0.269 4.241 3.960 0.019 0.000 0.250 51 G C -0.012 174.637 174.900 -0.418 0.000 1.071 51 G CA -0.075 44.918 45.100 -0.179 0.000 1.812 51 G HN 0.436 nan 8.290 nan 0.000 0.643 52 C N -2.736 116.197 119.300 -0.612 0.000 3.291 52 C HA 0.548 5.019 4.460 0.019 0.000 0.316 52 C C 1.387 176.137 174.990 -0.401 0.000 1.391 52 C CA -0.599 58.080 59.018 -0.566 0.000 1.394 52 C CB 1.102 28.426 27.740 -0.694 0.000 1.744 52 C HN 0.062 nan 8.230 nan 0.000 0.461 53 V N 1.246 121.071 119.914 -0.149 0.000 2.343 53 V HA -0.156 3.975 4.120 0.019 0.000 0.247 53 V C 2.518 178.549 176.094 -0.104 0.000 1.051 53 V CA 2.726 65.010 62.300 -0.027 0.000 1.036 53 V CB -0.799 31.028 31.823 0.008 0.000 0.654 53 V HN 0.983 nan 8.190 nan 0.000 0.451 54 E N 0.304 120.417 120.200 -0.145 0.000 2.106 54 E HA -0.126 4.235 4.350 0.019 0.000 0.192 54 E C 1.948 178.483 176.600 -0.109 0.000 0.984 54 E CA 1.246 57.578 56.400 -0.115 0.000 0.806 54 E CB -0.184 29.444 29.700 -0.121 0.000 0.750 54 E HN 0.556 nan 8.360 nan 0.000 0.458 55 N N -0.658 117.945 118.700 -0.163 0.000 2.368 55 N HA 0.157 4.908 4.740 0.019 0.000 0.178 55 N C 0.012 175.451 175.510 -0.118 0.000 1.076 55 N CA 0.845 53.826 53.050 -0.115 0.000 0.889 55 N CB 0.721 39.144 38.487 -0.108 0.000 1.040 55 N HN 0.080 nan 8.380 nan 0.000 0.463 56 A N 1.324 123.986 122.820 -0.263 0.000 2.687 56 A HA -0.201 4.131 4.320 0.019 0.000 0.299 56 A C 0.842 178.367 177.584 -0.100 0.000 1.497 56 A CA 0.885 52.761 52.037 -0.269 0.000 0.751 56 A CB -2.310 16.704 19.000 0.024 0.000 1.048 56 A HN 0.457 nan 8.150 nan 0.000 0.464 57 L N -3.893 117.178 121.223 -0.253 0.000 5.051 57 L HA -0.307 4.045 4.340 0.019 0.000 0.432 57 L C 1.675 178.543 176.870 -0.003 0.000 1.055 57 L CA 0.910 55.698 54.840 -0.087 0.000 1.095 57 L CB -1.887 40.184 42.059 0.021 0.000 1.957 57 L HN 2.460 nan 8.230 nan 0.000 0.727 58 G N 0.734 109.545 108.800 0.019 0.000 2.198 58 G HA2 -0.322 3.650 3.960 0.019 0.000 0.260 58 G HA3 -0.322 3.650 3.960 0.019 0.000 0.260 58 G C 0.527 175.477 174.900 0.082 0.000 1.025 58 G CA 0.655 45.781 45.100 0.043 0.000 0.769 58 G HN 0.902 nan 8.290 nan 0.000 0.507 59 I N -3.232 117.413 120.570 0.125 0.000 4.082 59 I HA 0.421 4.602 4.170 0.019 0.000 0.337 59 I C 1.965 178.175 176.117 0.155 0.000 1.352 59 I CA 0.332 61.729 61.300 0.162 0.000 1.097 59 I CB 0.026 38.106 38.000 0.134 0.000 1.048 59 I HN 0.126 nan 8.210 nan 0.000 0.393 60 R N 1.925 122.548 120.500 0.206 0.000 2.073 60 R HA -0.168 4.184 4.340 0.019 0.000 0.234 60 R C 1.599 177.998 176.300 0.165 0.000 1.134 60 R CA 2.430 58.687 56.100 0.261 0.000 0.952 60 R CB -0.162 30.344 30.300 0.343 0.000 0.850 60 R HN 0.328 nan 8.270 nan 0.000 0.433 61 D N -0.370 120.125 120.400 0.158 0.000 2.104 61 D HA -0.219 4.432 4.640 0.019 0.000 0.194 61 D C 1.427 177.815 176.300 0.146 0.000 0.994 61 D CA 1.281 55.358 54.000 0.128 0.000 0.830 61 D CB -0.509 40.362 40.800 0.119 0.000 0.959 61 D HN 0.403 nan 8.370 nan 0.000 0.452 62 W N 1.664 122.976 121.300 0.020 0.000 2.354 62 W HA -0.091 4.580 4.660 0.019 0.000 0.315 62 W C 2.085 178.626 176.519 0.037 0.000 1.206 62 W CA 1.050 58.409 57.345 0.023 0.000 1.290 62 W CB -0.661 28.815 29.460 0.026 0.000 1.152 62 W HN -0.098 nan 8.180 nan 0.000 0.489 63 L N 0.536 121.610 121.223 -0.248 0.000 2.042 63 L HA -0.249 4.102 4.340 0.019 0.000 0.210 63 L C 2.483 179.192 176.870 -0.268 0.000 1.076 63 L CA 2.059 56.647 54.840 -0.421 0.000 0.749 63 L CB -0.898 41.019 42.059 -0.236 0.000 0.893 63 L HN 0.072 nan 8.230 nan 0.000 0.432 64 E N -0.393 119.737 120.200 -0.117 0.000 2.106 64 E HA -0.182 4.179 4.350 0.019 0.000 0.192 64 E C 2.266 178.778 176.600 -0.146 0.000 0.984 64 E CA 1.368 57.716 56.400 -0.086 0.000 0.806 64 E CB -0.045 29.656 29.700 0.001 0.000 0.750 64 E HN 0.517 nan 8.360 nan 0.000 0.458 65 S N 0.691 116.305 115.700 -0.143 0.000 2.442 65 S HA -0.136 4.345 4.470 0.019 0.000 0.236 65 S C 1.750 176.213 174.600 -0.227 0.000 1.007 65 S CA 0.757 58.878 58.200 -0.131 0.000 0.965 65 S CB 0.039 63.211 63.200 -0.048 0.000 0.773 65 S HN 0.121 nan 8.310 nan 0.000 0.504 66 Q N 0.407 119.972 119.800 -0.391 0.000 2.360 66 Q HA 0.263 4.614 4.340 0.019 0.000 0.202 66 Q C 1.401 176.968 176.000 -0.722 0.000 0.915 66 Q CA 0.626 56.105 55.803 -0.541 0.000 0.943 66 Q CB 0.343 28.658 28.738 -0.704 0.000 1.064 66 Q HN 0.822 nan 8.270 nan 0.000 0.511 67 G N 1.104 109.592 108.800 -0.519 0.000 2.157 67 G HA2 -0.201 3.770 3.960 0.019 0.000 0.248 67 G HA3 -0.201 3.770 3.960 0.019 0.000 0.248 67 G C 0.092 174.716 174.900 -0.459 0.000 0.979 67 G CA -0.056 44.780 45.100 -0.439 0.000 0.650 67 G HN 0.382 nan 8.290 nan 0.000 0.529 68 H N 0.100 119.015 119.070 -0.258 0.000 2.547 68 H HA 0.496 5.063 4.556 0.019 0.000 0.362 68 H C 0.527 175.819 175.328 -0.060 0.000 1.181 68 H CA 0.200 56.136 56.048 -0.187 0.000 1.376 68 H CB 0.940 30.540 29.762 -0.271 0.000 1.488 68 H HN 0.458 nan 8.280 nan 0.000 0.583 69 Q N 1.154 121.047 119.800 0.156 0.000 2.241 69 Q HA 0.186 4.537 4.340 0.019 0.000 0.254 69 Q C -1.566 174.575 176.000 0.234 0.000 0.917 69 Q CA -0.671 55.221 55.803 0.148 0.000 0.919 69 Q CB 0.724 29.535 28.738 0.122 0.000 1.237 69 Q HN 0.510 nan 8.270 nan 0.000 0.434 70 Y N 5.718 126.045 120.300 0.045 0.000 2.376 70 Y HA 0.375 4.936 4.550 0.019 0.000 0.326 70 Y C -1.431 174.474 175.900 0.008 0.000 0.970 70 Y CA -1.455 56.675 58.100 0.050 0.000 1.248 70 Y CB 0.768 39.274 38.460 0.076 0.000 1.117 70 Y HN 0.525 nan 8.280 nan 0.000 0.476 71 I N 7.470 127.979 120.570 -0.101 0.000 2.354 71 I HA 0.400 4.582 4.170 0.019 0.000 0.292 71 I C -0.609 175.293 176.117 -0.358 0.000 0.989 71 I CA -0.874 60.261 61.300 -0.275 0.000 1.188 71 I CB 1.258 38.991 38.000 -0.445 0.000 1.342 71 I HN 0.258 nan 8.210 nan 0.000 0.457 72 V N 5.374 125.088 119.914 -0.333 0.000 2.540 72 V HA 0.683 4.815 4.120 0.019 0.000 0.302 72 V C -0.016 176.016 176.094 -0.104 0.000 1.035 72 V CA -0.348 61.803 62.300 -0.248 0.000 0.873 72 V CB 2.234 33.887 31.823 -0.284 0.000 0.992 72 V HN 0.884 nan 8.190 nan 0.000 0.428 73 T N 1.372 115.896 114.554 -0.050 0.000 2.889 73 T HA 0.318 4.679 4.350 0.019 0.000 0.315 73 T C -0.217 174.513 174.700 0.050 0.000 1.291 73 T CA -0.187 61.916 62.100 0.005 0.000 1.028 73 T CB 1.916 70.796 68.868 0.020 0.000 1.235 73 T HN 0.868 nan 8.240 nan 0.000 0.491 74 D N 1.202 121.653 120.400 0.085 0.000 2.369 74 D HA 0.090 4.742 4.640 0.019 0.000 0.211 74 D C 0.146 176.602 176.300 0.261 0.000 1.077 74 D CA -0.091 54.013 54.000 0.173 0.000 0.842 74 D CB 0.227 41.056 40.800 0.048 0.000 0.947 74 D HN 0.424 nan 8.370 nan 0.000 0.509 75 D N 1.349 121.834 120.400 0.142 0.000 2.468 75 D HA 0.085 4.737 4.640 0.019 0.000 0.218 75 D C 0.777 177.131 176.300 0.090 0.000 1.155 75 D CA -0.193 53.877 54.000 0.116 0.000 0.924 75 D CB 0.497 41.346 40.800 0.081 0.000 1.029 75 D HN 0.280 nan 8.370 nan 0.000 0.515 76 K N 0.527 120.976 120.400 0.081 0.000 2.477 76 K HA 0.181 4.512 4.320 0.019 0.000 0.208 76 K C 0.093 176.715 176.600 0.037 0.000 1.117 76 K CA -0.566 55.744 56.287 0.037 0.000 1.039 76 K CB 0.798 33.283 32.500 -0.025 0.000 0.937 76 K HN 0.049 nan 8.250 nan 0.000 0.570 77 E N 0.379 120.603 120.200 0.042 0.000 2.222 77 E HA 0.568 4.929 4.350 0.019 0.000 0.267 77 E C -0.501 176.114 176.600 0.026 0.000 0.884 77 E CA 0.008 56.429 56.400 0.034 0.000 0.764 77 E CB 1.458 31.176 29.700 0.030 0.000 1.169 77 E HN 0.632 nan 8.360 nan 0.000 0.413 78 G N 4.498 113.308 108.800 0.016 0.000 2.650 78 G HA2 -0.120 3.851 3.960 0.019 0.000 0.686 78 G HA3 -0.120 3.851 3.960 0.019 0.000 0.686 78 G C -1.676 173.229 174.900 0.009 0.000 1.205 78 G CA -0.255 44.852 45.100 0.010 0.000 0.781 78 G HN 0.552 nan 8.290 nan 0.000 0.648 79 P HA 0.061 nan 4.420 nan 0.000 0.220 79 P C 1.027 178.326 177.300 -0.001 0.000 1.148 79 P CA 2.300 65.400 63.100 0.000 0.000 0.803 79 P CB -0.039 31.660 31.700 -0.003 0.000 0.782 80 D N -0.544 119.857 120.400 0.002 0.000 2.363 80 D HA 0.148 4.800 4.640 0.019 0.000 0.214 80 D C 1.056 177.359 176.300 0.005 0.000 1.093 80 D CA -0.073 53.926 54.000 -0.000 0.000 0.837 80 D CB -0.899 39.902 40.800 0.001 0.000 0.948 80 D HN 0.359 nan 8.370 nan 0.000 0.507 81 C N -1.270 118.038 119.300 0.014 0.000 2.649 81 C HA 0.551 5.023 4.460 0.019 0.000 0.377 81 C C 1.979 176.986 174.990 0.029 0.000 1.321 81 C CA -0.054 58.980 59.018 0.027 0.000 2.368 81 C CB 1.276 29.038 27.740 0.037 0.000 2.597 81 C HN 0.375 nan 8.230 nan 0.000 0.678 82 E N 0.477 120.708 120.200 0.051 0.000 2.118 82 E HA -0.196 4.165 4.350 0.019 0.000 0.195 82 E C 1.652 178.329 176.600 0.129 0.000 0.992 82 E CA 1.739 58.188 56.400 0.082 0.000 0.804 82 E CB -0.319 29.446 29.700 0.109 0.000 0.741 82 E HN 0.765 nan 8.360 nan 0.000 0.458 83 L N 1.036 122.324 121.223 0.108 0.000 2.042 83 L HA -0.161 4.190 4.340 0.019 0.000 0.210 83 L C 1.892 178.810 176.870 0.079 0.000 1.076 83 L CA 1.976 56.885 54.840 0.114 0.000 0.749 83 L CB -0.538 41.557 42.059 0.060 0.000 0.893 83 L HN 0.111 nan 8.230 nan 0.000 0.432 84 E N 0.094 120.312 120.200 0.031 0.000 2.204 84 E HA -0.222 4.139 4.350 0.019 0.000 0.195 84 E C 2.063 178.632 176.600 -0.052 0.000 0.990 84 E CA 0.986 57.386 56.400 -0.001 0.000 0.821 84 E CB -0.142 29.556 29.700 -0.003 0.000 0.750 84 E HN 0.629 nan 8.360 nan 0.000 0.477 85 K N -0.146 120.181 120.400 -0.122 0.000 2.211 85 K HA -0.101 4.230 4.320 0.019 0.000 0.203 85 K C 1.705 178.060 176.600 -0.409 0.000 1.050 85 K CA 0.871 56.981 56.287 -0.295 0.000 0.945 85 K CB 0.006 32.239 32.500 -0.444 0.000 0.732 85 K HN 0.284 nan 8.250 nan 0.000 0.451 86 H N -0.389 118.682 119.070 0.002 0.000 2.750 86 H HA 0.176 4.743 4.556 0.019 0.000 0.263 86 H C 2.045 177.369 175.328 -0.006 0.000 0.964 86 H CA 0.128 56.177 56.048 0.002 0.000 1.205 86 H CB 0.296 30.063 29.762 0.008 0.000 1.454 86 H HN 0.061 nan 8.280 nan 0.000 0.503 87 I N 1.647 122.261 120.570 0.074 0.000 2.194 87 I HA -0.206 3.976 4.170 0.019 0.000 0.246 87 I C -0.628 175.496 176.117 0.010 0.000 1.093 87 I CA 1.306 62.628 61.300 0.037 0.000 1.355 87 I CB -1.027 36.987 38.000 0.023 0.000 1.046 87 I HN 0.154 nan 8.210 nan 0.000 0.413 88 P HA -0.144 nan 4.420 nan 0.000 0.220 88 P C 0.426 177.711 177.300 -0.025 0.000 1.148 88 P CA 1.562 64.653 63.100 -0.015 0.000 0.803 88 P CB -0.086 31.601 31.700 -0.022 0.000 0.782 89 D N -2.750 117.638 120.400 -0.021 0.000 2.525 89 D HA 0.038 4.689 4.640 0.019 0.000 0.231 89 D C 0.428 176.649 176.300 -0.131 0.000 1.216 89 D CA -0.273 53.688 54.000 -0.064 0.000 0.813 89 D CB -1.091 39.695 40.800 -0.025 0.000 1.108 89 D HN 0.024 nan 8.370 nan 0.000 0.524 90 L N -0.824 120.366 121.223 -0.055 0.000 2.467 90 L HA 0.412 4.764 4.340 0.019 0.000 0.270 90 L C 0.759 177.535 176.870 -0.157 0.000 1.205 90 L CA 0.281 55.096 54.840 -0.041 0.000 0.828 90 L CB 0.225 42.314 42.059 0.049 0.000 1.101 90 L HN -0.207 nan 8.230 nan 0.000 0.479 91 H N 0.495 119.626 119.070 0.101 0.000 2.476 91 H HA 0.436 5.003 4.556 0.019 0.000 0.292 91 H C -0.366 174.982 175.328 0.032 0.000 1.019 91 H CA 0.636 56.750 56.048 0.110 0.000 1.330 91 H CB 0.693 30.579 29.762 0.208 0.000 1.451 91 H HN 0.384 nan 8.280 nan 0.000 0.535 92 V N 1.597 121.590 119.914 0.130 0.000 2.709 92 V HA 0.256 4.388 4.120 0.019 0.000 0.308 92 V C -1.308 174.797 176.094 0.018 0.000 1.062 92 V CA -0.913 61.381 62.300 -0.009 0.000 0.901 92 V CB 2.624 34.396 31.823 -0.086 0.000 1.003 92 V HN 0.028 nan 8.190 nan 0.000 0.425 93 L N 6.125 127.339 121.223 -0.016 0.000 2.356 93 L HA 0.721 5.073 4.340 0.019 0.000 0.277 93 L C -0.855 175.996 176.870 -0.032 0.000 0.996 93 L CA 0.029 54.861 54.840 -0.014 0.000 0.822 93 L CB 1.357 43.407 42.059 -0.015 0.000 1.256 93 L HN 0.577 nan 8.230 nan 0.000 0.413 94 I N 4.467 125.012 120.570 -0.042 0.000 2.433 94 I HA 0.725 4.906 4.170 0.019 0.000 0.292 94 I C -0.123 175.876 176.117 -0.196 0.000 1.001 94 I CA -0.232 61.037 61.300 -0.052 0.000 1.119 94 I CB 1.912 39.946 38.000 0.056 0.000 1.289 94 I HN 0.787 nan 8.210 nan 0.000 0.438 95 S N 2.988 118.602 115.700 -0.143 0.000 2.688 95 S HA 0.762 5.244 4.470 0.019 0.000 0.275 95 S C -0.571 173.976 174.600 -0.089 0.000 1.175 95 S CA -0.614 57.437 58.200 -0.249 0.000 0.818 95 S CB 2.075 65.107 63.200 -0.280 0.000 1.157 95 S HN 0.683 nan 8.310 nan 0.000 0.482 96 T N -1.973 112.534 114.554 -0.079 0.000 2.930 96 T HA 0.692 5.053 4.350 0.019 0.000 0.290 96 T C -2.422 172.186 174.700 -0.153 0.000 1.052 96 T CA -2.020 60.085 62.100 0.008 0.000 1.017 96 T CB 1.652 70.677 68.868 0.261 0.000 1.137 96 T HN 0.406 nan 8.240 nan 0.000 0.511 97 P HA 0.089 nan 4.420 nan 0.000 0.234 97 P C 0.857 177.973 177.300 -0.307 0.000 1.167 97 P CA 0.463 63.369 63.100 -0.324 0.000 0.763 97 P CB -0.224 31.294 31.700 -0.304 0.000 0.835 98 F N -1.213 118.794 119.950 0.095 0.000 2.615 98 F HA 0.060 4.598 4.527 0.018 0.000 0.297 98 F C 1.202 177.202 175.800 0.332 0.000 1.124 98 F CA 0.861 59.008 58.000 0.246 0.000 1.451 98 F CB -0.443 38.786 39.000 0.382 0.000 1.103 98 F HN 0.050 nan 8.300 nan 0.000 0.569 99 H N -0.488 118.695 119.070 0.189 0.000 2.733 99 H HA 0.241 4.808 4.556 0.019 0.000 0.230 99 H C -2.935 172.324 175.328 -0.115 0.000 1.402 99 H CA -2.033 54.085 56.048 0.118 0.000 1.464 99 H CB 0.578 30.491 29.762 0.252 0.000 1.877 99 H HN -0.241 nan 8.280 nan 0.000 0.593 100 P HA 0.277 nan 4.420 nan 0.000 0.280 100 P C -0.443 176.477 177.300 -0.634 0.000 1.244 100 P CA -0.444 62.212 63.100 -0.742 0.000 0.784 100 P CB 1.466 32.460 31.700 -1.177 0.000 0.913 101 A N 4.245 126.809 122.820 -0.426 0.000 2.343 101 A HA 0.287 4.619 4.320 0.019 0.000 0.305 101 A C -0.443 177.072 177.584 -0.116 0.000 1.308 101 A CA -0.411 51.505 52.037 -0.202 0.000 0.949 101 A CB -0.879 18.052 19.000 -0.115 0.000 1.148 101 A HN 0.421 nan 8.150 nan 0.000 0.545 102 Y N 1.598 121.914 120.300 0.027 0.000 2.544 102 Y HA 0.235 4.796 4.550 0.018 0.000 0.330 102 Y C 0.530 176.458 175.900 0.045 0.000 1.136 102 Y CA 0.476 58.620 58.100 0.073 0.000 1.417 102 Y CB 0.779 39.258 38.460 0.031 0.000 1.229 102 Y HN 0.369 nan 8.280 nan 0.000 0.532 103 V N 4.473 124.477 119.914 0.151 0.000 2.259 103 V HA 0.184 4.315 4.120 0.019 0.000 0.267 103 V C 0.145 176.278 176.094 0.064 0.000 1.051 103 V CA -0.817 61.525 62.300 0.070 0.000 0.830 103 V CB 0.110 31.938 31.823 0.009 0.000 1.080 103 V HN 0.897 nan 8.190 nan 0.000 0.467 104 T N 1.294 115.890 114.554 0.070 0.000 2.874 104 T HA 0.582 4.944 4.350 0.019 0.000 0.281 104 T C 1.495 176.209 174.700 0.024 0.000 0.994 104 T CA 0.094 62.222 62.100 0.046 0.000 1.015 104 T CB 1.919 70.811 68.868 0.039 0.000 1.028 104 T HN 0.520 nan 8.240 nan 0.000 0.523 105 A N 0.155 122.984 122.820 0.015 0.000 1.940 105 A HA -0.117 4.214 4.320 0.019 0.000 0.219 105 A C 2.274 179.863 177.584 0.008 0.000 1.176 105 A CA 1.962 54.004 52.037 0.009 0.000 0.631 105 A CB -1.149 17.855 19.000 0.006 0.000 0.814 105 A HN 1.051 nan 8.150 nan 0.000 0.446 106 E N -0.309 119.896 120.200 0.009 0.000 2.058 106 E HA -0.243 4.118 4.350 0.019 0.000 0.194 106 E C 2.269 178.875 176.600 0.008 0.000 0.997 106 E CA 1.333 57.737 56.400 0.006 0.000 0.801 106 E CB -0.122 29.580 29.700 0.004 0.000 0.746 106 E HN 0.621 nan 8.360 nan 0.000 0.450 107 R N 0.018 120.527 120.500 0.015 0.000 2.075 107 R HA -0.058 4.293 4.340 0.019 0.000 0.232 107 R C 2.558 178.864 176.300 0.011 0.000 1.126 107 R CA 1.375 57.484 56.100 0.016 0.000 0.963 107 R CB -0.255 30.062 30.300 0.028 0.000 0.858 107 R HN 0.293 nan 8.270 nan 0.000 0.435 108 I N 0.894 121.470 120.570 0.010 0.000 2.264 108 I HA -0.310 3.871 4.170 0.019 0.000 0.248 108 I C 2.461 178.580 176.117 0.004 0.000 1.111 108 I CA 1.318 62.621 61.300 0.005 0.000 1.382 108 I CB -0.198 37.804 38.000 0.003 0.000 1.060 108 I HN 0.131 nan 8.210 nan 0.000 0.418 109 K N 1.152 121.554 120.400 0.004 0.000 2.211 109 K HA -0.153 4.179 4.320 0.019 0.000 0.203 109 K C 1.811 178.412 176.600 0.001 0.000 1.050 109 K CA 1.180 57.468 56.287 0.002 0.000 0.945 109 K CB 0.126 32.627 32.500 0.002 0.000 0.732 109 K HN 0.248 nan 8.250 nan 0.000 0.451 110 K N -0.412 119.989 120.400 0.001 0.000 2.400 110 K HA 0.089 4.420 4.320 0.019 0.000 0.194 110 K C 0.033 176.631 176.600 -0.004 0.000 1.033 110 K CA 0.151 56.437 56.287 -0.002 0.000 1.021 110 K CB 0.687 33.186 32.500 -0.002 0.000 0.808 110 K HN 0.013 nan 8.250 nan 0.000 0.505 111 A N 1.944 124.762 122.820 -0.003 0.000 2.478 111 A HA 0.117 4.448 4.320 0.019 0.000 0.327 111 A C 0.915 178.491 177.584 -0.012 0.000 1.431 111 A CA -0.331 51.701 52.037 -0.008 0.000 1.014 111 A CB 0.320 19.317 19.000 -0.004 0.000 1.143 111 A HN 0.119 nan 8.150 nan 0.000 0.532 112 K N 1.859 122.247 120.400 -0.020 0.000 2.097 112 K HA -0.114 4.217 4.320 0.019 0.000 0.205 112 K C 0.590 177.178 176.600 -0.021 0.000 1.050 112 K CA 1.697 57.975 56.287 -0.016 0.000 0.938 112 K CB 0.068 32.557 32.500 -0.017 0.000 0.718 112 K HN 0.677 nan 8.250 nan 0.000 0.442 113 N N 0.503 119.164 118.700 -0.065 0.000 2.220 113 N HA 0.010 4.761 4.740 0.019 0.000 0.195 113 N C -0.312 175.176 175.510 -0.037 0.000 1.123 113 N CA -0.180 52.811 53.050 -0.099 0.000 0.874 113 N CB 0.199 38.452 38.487 -0.391 0.000 0.995 113 N HN 0.092 nan 8.380 nan 0.000 0.498 114 L N 1.476 122.687 121.223 -0.021 0.000 2.499 114 L HA 0.033 4.384 4.340 0.019 0.000 0.273 114 L C 1.138 178.040 176.870 0.055 0.000 1.195 114 L CA 0.741 55.590 54.840 0.015 0.000 0.882 114 L CB 0.817 42.878 42.059 0.003 0.000 1.133 114 L HN -0.115 nan 8.230 nan 0.000 0.483 115 K N 4.327 124.774 120.400 0.078 0.000 2.443 115 K HA 0.331 4.662 4.320 0.019 0.000 0.200 115 K C -0.830 175.772 176.600 0.005 0.000 1.278 115 K CA 0.125 56.460 56.287 0.079 0.000 0.925 115 K CB 0.149 32.764 32.500 0.193 0.000 1.225 115 K HN 0.498 nan 8.250 nan 0.000 0.514 116 L N 1.951 123.132 121.223 -0.071 0.000 2.409 116 L HA 0.547 4.899 4.340 0.019 0.000 0.272 116 L C -1.871 174.942 176.870 -0.096 0.000 0.980 116 L CA -0.689 54.072 54.840 -0.132 0.000 0.826 116 L CB 1.743 43.560 42.059 -0.403 0.000 1.268 116 L HN 0.040 nan 8.230 nan 0.000 0.407 117 L N 6.339 127.529 121.223 -0.054 0.000 2.305 117 L HA 0.555 4.907 4.340 0.019 0.000 0.284 117 L C -0.939 175.902 176.870 -0.048 0.000 1.013 117 L CA -0.472 54.337 54.840 -0.051 0.000 0.819 117 L CB 1.543 43.569 42.059 -0.053 0.000 1.227 117 L HN 0.516 nan 8.230 nan 0.000 0.417 118 L N 2.825 124.014 121.223 -0.056 0.000 2.341 118 L HA 0.512 4.863 4.340 0.019 0.000 0.278 118 L C -0.145 176.705 176.870 -0.034 0.000 1.005 118 L CA -0.434 54.367 54.840 -0.065 0.000 0.818 118 L CB 2.270 44.271 42.059 -0.097 0.000 1.259 118 L HN 0.501 nan 8.230 nan 0.000 0.418 119 T N 2.229 116.760 114.554 -0.039 0.000 2.733 119 T HA 0.356 4.717 4.350 0.019 0.000 0.294 119 T C 0.418 175.088 174.700 -0.049 0.000 0.956 119 T CA -0.401 61.691 62.100 -0.014 0.000 0.987 119 T CB 1.313 70.179 68.868 -0.004 0.000 0.920 119 T HN 0.640 nan 8.240 nan 0.000 0.470 120 A N 3.543 126.362 122.820 -0.002 0.000 2.990 120 A HA 0.671 5.002 4.320 0.019 0.000 0.282 120 A C 1.104 178.560 177.584 -0.214 0.000 1.688 120 A CA 0.198 52.245 52.037 0.015 0.000 1.391 120 A CB -1.056 18.063 19.000 0.198 0.000 1.112 120 A HN 1.212 nan 8.150 nan 0.000 0.588 121 G N -0.037 108.476 108.800 -0.479 0.000 2.334 121 G HA2 0.273 4.245 3.960 0.019 0.000 0.249 121 G HA3 0.273 4.245 3.960 0.019 0.000 0.249 121 G C -1.253 173.382 174.900 -0.442 0.000 1.327 121 G CA -0.554 43.907 45.100 -1.064 0.000 0.979 121 G HN 0.601 nan 8.290 nan 0.000 0.471 122 I N 1.109 121.501 120.570 -0.297 0.000 2.499 122 I HA 0.652 4.834 4.170 0.019 0.000 0.288 122 I C 0.267 176.361 176.117 -0.038 0.000 1.048 122 I CA 0.146 61.392 61.300 -0.090 0.000 1.062 122 I CB 2.077 40.073 38.000 -0.006 0.000 1.238 122 I HN 1.874 nan 8.210 nan 0.000 0.426 123 G N 3.163 111.969 108.800 0.011 0.000 3.084 123 G HA2 -0.001 3.970 3.960 0.019 0.000 0.543 123 G HA3 -0.001 3.970 3.960 0.019 0.000 0.543 123 G C -0.209 174.740 174.900 0.082 0.000 1.239 123 G CA -0.196 44.933 45.100 0.048 0.000 1.190 123 G HN 0.740 nan 8.290 nan 0.000 0.549 124 S N 0.180 115.887 115.700 0.012 0.000 2.602 124 S HA 0.244 4.726 4.470 0.019 0.000 0.240 124 S C 0.859 175.328 174.600 -0.218 0.000 0.992 124 S CA 0.489 58.575 58.200 -0.190 0.000 0.971 124 S CB 0.615 63.712 63.200 -0.171 0.000 0.855 124 S HN 0.344 nan 8.310 nan 0.000 0.481 125 D N 2.727 123.119 120.400 -0.013 0.000 2.310 125 D HA -0.103 4.549 4.640 0.019 0.000 0.212 125 D C 1.638 177.973 176.300 0.059 0.000 0.965 125 D CA 0.967 54.993 54.000 0.043 0.000 0.879 125 D CB -0.301 40.558 40.800 0.098 0.000 0.921 125 D HN 0.817 nan 8.370 nan 0.000 0.510 126 H N -0.776 118.282 119.070 -0.020 0.000 2.533 126 H HA 0.201 4.769 4.556 0.019 0.000 0.271 126 H C 0.406 175.738 175.328 0.007 0.000 1.000 126 H CA -0.037 55.985 56.048 -0.043 0.000 1.149 126 H CB -0.012 29.454 29.762 -0.494 0.000 1.375 126 H HN 0.100 nan 8.280 nan 0.000 0.582 127 I N 1.917 122.311 120.570 -0.292 0.000 2.433 127 I HA 0.047 4.228 4.170 0.019 0.000 0.292 127 I C -0.107 175.965 176.117 -0.075 0.000 1.001 127 I CA -0.958 60.224 61.300 -0.196 0.000 1.119 127 I CB 2.110 39.928 38.000 -0.304 0.000 1.289 127 I HN -0.084 nan 8.210 nan 0.000 0.438 128 D N 6.926 127.312 120.400 -0.023 0.000 2.416 128 D HA 0.116 4.768 4.640 0.019 0.000 0.240 128 D C 0.927 177.211 176.300 -0.026 0.000 1.250 128 D CA 0.192 54.188 54.000 -0.007 0.000 0.967 128 D CB 0.742 41.548 40.800 0.009 0.000 1.059 128 D HN 0.463 nan 8.370 nan 0.000 0.512 129 L N 2.701 123.906 121.223 -0.031 0.000 2.093 129 L HA -0.208 4.143 4.340 0.019 0.000 0.208 129 L C 2.143 178.997 176.870 -0.025 0.000 1.085 129 L CA 0.841 55.652 54.840 -0.048 0.000 0.755 129 L CB -0.169 41.858 42.059 -0.053 0.000 0.904 129 L HN 0.307 nan 8.230 nan 0.000 0.435 130 Q N 0.118 119.916 119.800 -0.005 0.000 2.084 130 Q HA -0.121 4.231 4.340 0.019 0.000 0.202 130 Q C 2.421 178.419 176.000 -0.005 0.000 0.978 130 Q CA 1.816 57.619 55.803 0.001 0.000 0.844 130 Q CB -0.503 28.241 28.738 0.010 0.000 0.898 130 Q HN 0.492 nan 8.270 nan 0.000 0.426 131 A N 0.480 123.297 122.820 -0.005 0.000 1.930 131 A HA -0.026 4.305 4.320 0.019 0.000 0.217 131 A C 2.246 179.824 177.584 -0.010 0.000 1.175 131 A CA 1.545 53.579 52.037 -0.005 0.000 0.627 131 A CB -0.921 18.078 19.000 -0.001 0.000 0.815 131 A HN 0.364 nan 8.150 nan 0.000 0.443 132 A N 0.042 122.851 122.820 -0.019 0.000 1.877 132 A HA 0.131 4.463 4.320 0.019 0.000 0.216 132 A C 2.516 180.087 177.584 -0.021 0.000 1.186 132 A CA 2.177 54.199 52.037 -0.024 0.000 0.620 132 A CB -1.055 17.920 19.000 -0.041 0.000 0.822 132 A HN 1.035 nan 8.150 nan 0.000 0.443 133 A N -0.118 122.688 122.820 -0.023 0.000 1.877 133 A HA 0.142 4.473 4.320 0.019 0.000 0.216 133 A C 2.521 180.096 177.584 -0.015 0.000 1.186 133 A CA 2.197 54.221 52.037 -0.022 0.000 0.620 133 A CB -1.114 17.874 19.000 -0.019 0.000 0.822 133 A HN 1.147 nan 8.150 nan 0.000 0.443 134 A N -0.419 122.395 122.820 -0.010 0.000 1.978 134 A HA 0.172 4.504 4.320 0.019 0.000 0.220 134 A C 2.234 179.815 177.584 -0.005 0.000 1.170 134 A CA 1.927 53.960 52.037 -0.006 0.000 0.636 134 A CB -0.720 18.278 19.000 -0.003 0.000 0.810 134 A HN 1.142 nan 8.150 nan 0.000 0.448 135 A N -1.920 120.897 122.820 -0.005 0.000 2.251 135 A HA 0.428 4.759 4.320 0.019 0.000 0.209 135 A C 1.707 179.292 177.584 0.001 0.000 1.187 135 A CA 1.097 53.133 52.037 -0.001 0.000 0.823 135 A CB -0.896 18.104 19.000 0.000 0.000 0.846 135 A HN 1.879 nan 8.150 nan 0.000 0.486 136 G N -0.891 107.907 108.800 -0.005 0.000 2.143 136 G HA2 -0.217 3.754 3.960 0.019 0.000 0.248 136 G HA3 -0.217 3.754 3.960 0.019 0.000 0.248 136 G C 0.122 175.020 174.900 -0.003 0.000 0.991 136 G CA 0.394 45.491 45.100 -0.006 0.000 0.689 136 G HN 0.447 nan 8.290 nan 0.000 0.522 137 L N -0.028 121.192 121.223 -0.005 0.000 2.468 137 L HA 0.594 4.945 4.340 0.019 0.000 0.254 137 L C 0.835 177.702 176.870 -0.005 0.000 1.171 137 L CA -0.347 54.492 54.840 -0.001 0.000 0.809 137 L CB 0.821 42.876 42.059 -0.007 0.000 1.155 137 L HN 0.107 nan 8.230 nan 0.000 0.473 138 T N 0.895 115.455 114.554 0.010 0.000 2.823 138 T HA 0.546 4.907 4.350 0.019 0.000 0.279 138 T C -0.483 174.247 174.700 0.051 0.000 0.998 138 T CA -0.379 61.746 62.100 0.043 0.000 0.994 138 T CB 1.815 70.718 68.868 0.060 0.000 0.960 138 T HN 0.229 nan 8.240 nan 0.000 0.448 139 V N 2.265 122.218 119.914 0.066 0.000 2.531 139 V HA 0.887 5.018 4.120 0.019 0.000 0.301 139 V C -0.251 175.876 176.094 0.055 0.000 1.034 139 V CA -0.731 61.577 62.300 0.013 0.000 0.865 139 V CB 1.402 33.180 31.823 -0.076 0.000 0.995 139 V HN 1.115 nan 8.190 nan 0.000 0.424 140 A N 4.340 127.176 122.820 0.028 0.000 2.587 140 A HA 0.999 5.330 4.320 0.019 0.000 0.293 140 A C -0.833 176.705 177.584 -0.076 0.000 1.087 140 A CA -0.594 51.441 52.037 -0.004 0.000 0.692 140 A CB 2.154 21.182 19.000 0.048 0.000 1.291 140 A HN 0.935 nan 8.150 nan 0.000 0.407 141 E N -0.525 119.624 120.200 -0.086 0.000 2.456 141 E HA 0.613 4.975 4.350 0.019 0.000 0.276 141 E C -1.509 175.040 176.600 -0.085 0.000 0.981 141 E CA -0.995 55.354 56.400 -0.085 0.000 0.814 141 E CB 1.623 31.291 29.700 -0.054 0.000 1.382 141 E HN 0.296 nan 8.360 nan 0.000 0.459 142 V N 1.938 121.812 119.914 -0.067 0.000 2.096 142 V HA 0.138 4.270 4.120 0.019 0.000 0.259 142 V C -0.082 176.028 176.094 0.027 0.000 1.420 142 V CA -0.355 61.932 62.300 -0.021 0.000 1.336 142 V CB -0.355 31.497 31.823 0.048 0.000 1.394 142 V HN 0.631 nan 8.190 nan 0.000 0.494 143 T N 2.888 117.451 114.554 0.015 0.000 2.905 143 T HA 0.334 4.696 4.350 0.019 0.000 0.299 143 T C 1.423 176.156 174.700 0.055 0.000 1.024 143 T CA 1.287 63.412 62.100 0.042 0.000 1.151 143 T CB 0.656 69.549 68.868 0.043 0.000 0.987 143 T HN 1.154 nan 8.240 nan 0.000 0.535 144 G N 2.346 111.187 108.800 0.069 0.000 2.179 144 G HA2 -0.341 3.630 3.960 0.019 0.000 0.260 144 G HA3 -0.341 3.630 3.960 0.019 0.000 0.260 144 G C 1.083 176.029 174.900 0.077 0.000 0.977 144 G CA 0.587 45.725 45.100 0.063 0.000 0.641 144 G HN 1.001 nan 8.290 nan 0.000 0.533 145 S N 0.623 116.400 115.700 0.128 0.000 2.562 145 S HA 0.021 4.502 4.470 0.019 0.000 0.221 145 S C 1.646 176.324 174.600 0.130 0.000 0.975 145 S CA 1.173 59.456 58.200 0.138 0.000 0.918 145 S CB -0.132 63.210 63.200 0.236 0.000 0.772 145 S HN 0.949 nan 8.310 nan 0.000 0.531 146 N N 1.496 120.299 118.700 0.172 0.000 2.205 146 N HA 0.012 4.763 4.740 0.019 0.000 0.201 146 N C 1.426 176.976 175.510 0.067 0.000 1.128 146 N CA 0.675 53.808 53.050 0.137 0.000 0.867 146 N CB -0.389 38.237 38.487 0.232 0.000 0.996 146 N HN 0.443 nan 8.380 nan 0.000 0.503 147 V N -1.495 118.449 119.914 0.051 0.000 2.358 147 V HA -0.099 4.032 4.120 0.019 0.000 0.246 147 V C 2.064 178.164 176.094 0.009 0.000 1.047 147 V CA 1.149 63.468 62.300 0.032 0.000 1.035 147 V CB -1.013 30.826 31.823 0.027 0.000 0.658 147 V HN 0.046 nan 8.190 nan 0.000 0.452 148 V N 1.319 121.230 119.914 -0.005 0.000 2.358 148 V HA -0.202 3.930 4.120 0.019 0.000 0.246 148 V C 2.889 178.969 176.094 -0.025 0.000 1.047 148 V CA 2.358 64.647 62.300 -0.019 0.000 1.035 148 V CB -0.864 30.942 31.823 -0.028 0.000 0.658 148 V HN 0.653 nan 8.190 nan 0.000 0.452 149 S N 0.222 115.906 115.700 -0.027 0.000 2.359 149 S HA -0.185 4.297 4.470 0.019 0.000 0.224 149 S C 2.016 176.603 174.600 -0.022 0.000 1.035 149 S CA 1.668 59.847 58.200 -0.036 0.000 1.018 149 S CB -0.369 62.807 63.200 -0.040 0.000 0.876 149 S HN 0.407 nan 8.310 nan 0.000 0.448 150 V N 2.116 122.030 119.914 0.000 0.000 2.358 150 V HA -0.145 3.986 4.120 0.019 0.000 0.246 150 V C 2.696 178.781 176.094 -0.015 0.000 1.047 150 V CA 1.521 63.824 62.300 0.006 0.000 1.035 150 V CB -1.347 30.497 31.823 0.035 0.000 0.658 150 V HN 0.539 nan 8.190 nan 0.000 0.452 151 A N -0.127 122.683 122.820 -0.016 0.000 1.883 151 A HA -0.263 4.068 4.320 0.019 0.000 0.217 151 A C 2.188 179.748 177.584 -0.041 0.000 1.186 151 A CA 2.003 54.024 52.037 -0.027 0.000 0.624 151 A CB -0.512 18.475 19.000 -0.021 0.000 0.822 151 A HN 0.616 nan 8.150 nan 0.000 0.444 152 E N -0.716 119.460 120.200 -0.040 0.000 2.085 152 E HA -0.243 4.119 4.350 0.019 0.000 0.194 152 E C 1.732 178.293 176.600 -0.066 0.000 0.994 152 E CA 1.388 57.759 56.400 -0.048 0.000 0.801 152 E CB -0.226 29.446 29.700 -0.048 0.000 0.743 152 E HN 0.699 nan 8.360 nan 0.000 0.453 153 D N 0.382 120.745 120.400 -0.062 0.000 2.144 153 D HA -0.140 4.512 4.640 0.019 0.000 0.200 153 D C 1.683 177.930 176.300 -0.089 0.000 0.978 153 D CA 1.001 54.958 54.000 -0.072 0.000 0.833 153 D CB 0.176 40.944 40.800 -0.053 0.000 0.961 153 D HN 0.155 nan 8.370 nan 0.000 0.470 154 E N -0.153 119.997 120.200 -0.083 0.000 2.077 154 E HA -0.150 4.211 4.350 0.019 0.000 0.193 154 E C 2.003 178.525 176.600 -0.130 0.000 0.989 154 E CA 0.309 56.646 56.400 -0.106 0.000 0.800 154 E CB -0.089 29.558 29.700 -0.088 0.000 0.746 154 E HN 0.256 nan 8.360 nan 0.000 0.452 155 L N 1.184 122.333 121.223 -0.122 0.000 2.046 155 L HA -0.172 4.180 4.340 0.019 0.000 0.208 155 L C 2.295 179.058 176.870 -0.178 0.000 1.077 155 L CA 1.650 56.393 54.840 -0.161 0.000 0.747 155 L CB -0.673 41.310 42.059 -0.127 0.000 0.896 155 L HN 0.309 nan 8.230 nan 0.000 0.432 156 M N -0.293 119.222 119.600 -0.143 0.000 2.082 156 M HA -0.310 4.181 4.480 0.019 0.000 0.258 156 M C 2.313 178.515 176.300 -0.163 0.000 1.069 156 M CA 1.990 57.200 55.300 -0.150 0.000 1.102 156 M CB -0.214 32.304 32.600 -0.137 0.000 1.336 156 M HN 0.207 nan 8.290 nan 0.000 0.404 157 R N 0.022 120.428 120.500 -0.157 0.000 2.115 157 R HA -0.043 4.309 4.340 0.019 0.000 0.230 157 R C 2.080 178.280 176.300 -0.167 0.000 1.111 157 R CA 1.564 57.568 56.100 -0.161 0.000 0.976 157 R CB -0.480 29.715 30.300 -0.176 0.000 0.870 157 R HN 0.469 nan 8.270 nan 0.000 0.445 158 I N 0.857 121.319 120.570 -0.181 0.000 2.163 158 I HA -0.330 3.852 4.170 0.019 0.000 0.243 158 I C 2.169 178.184 176.117 -0.171 0.000 1.085 158 I CA 1.494 62.683 61.300 -0.186 0.000 1.347 158 I CB -0.303 37.569 38.000 -0.213 0.000 1.044 158 I HN 0.147 nan 8.210 nan 0.000 0.408 159 L N 0.245 121.356 121.223 -0.186 0.000 2.017 159 L HA -0.213 4.138 4.340 0.019 0.000 0.208 159 L C 2.532 179.351 176.870 -0.086 0.000 1.073 159 L CA 1.427 56.180 54.840 -0.145 0.000 0.745 159 L CB -0.434 41.532 42.059 -0.154 0.000 0.894 159 L HN 0.192 nan 8.230 nan 0.000 0.432 160 I N -0.344 120.167 120.570 -0.098 0.000 2.151 160 I HA -0.351 3.830 4.170 0.019 0.000 0.243 160 I C 2.407 178.529 176.117 0.009 0.000 1.080 160 I CA 1.543 62.825 61.300 -0.029 0.000 1.339 160 I CB -0.218 37.748 38.000 -0.057 0.000 1.039 160 I HN 0.235 nan 8.210 nan 0.000 0.409 161 L N -0.902 120.291 121.223 -0.052 0.000 2.044 161 L HA -0.205 4.147 4.340 0.019 0.000 0.205 161 L C 2.577 179.423 176.870 -0.040 0.000 1.075 161 L CA 1.012 55.818 54.840 -0.057 0.000 0.747 161 L CB -0.426 41.567 42.059 -0.109 0.000 0.903 161 L HN 0.288 nan 8.230 nan 0.000 0.435 162 M N 0.082 119.652 119.600 -0.050 0.000 2.117 162 M HA -0.157 4.335 4.480 0.019 0.000 0.262 162 M C 2.129 178.456 176.300 0.044 0.000 1.065 162 M CA 1.833 57.121 55.300 -0.019 0.000 1.114 162 M CB -0.254 32.320 32.600 -0.043 0.000 1.361 162 M HN -0.016 nan 8.290 nan 0.000 0.408 163 R N -0.577 119.942 120.500 0.032 0.000 2.310 163 R HA 0.108 4.459 4.340 0.019 0.000 0.202 163 R C 0.291 176.625 176.300 0.056 0.000 0.933 163 R CA 0.385 56.515 56.100 0.051 0.000 1.054 163 R CB -0.420 29.910 30.300 0.050 0.000 0.985 163 R HN 0.437 nan 8.270 nan 0.000 0.489 164 N N -0.053 118.678 118.700 0.052 0.000 2.758 164 N HA -0.230 4.522 4.740 0.019 0.000 0.248 164 N C 0.218 175.767 175.510 0.065 0.000 1.076 164 N CA 0.188 53.258 53.050 0.032 0.000 0.696 164 N CB -1.477 37.000 38.487 -0.017 0.000 0.979 164 N HN 0.301 nan 8.380 nan 0.000 0.550 165 F N -0.072 119.863 119.950 -0.024 0.000 2.134 165 F HA -0.072 4.468 4.527 0.021 0.000 0.299 165 F C 1.867 177.685 175.800 0.030 0.000 1.097 165 F CA 1.827 59.824 58.000 -0.006 0.000 1.264 165 F CB -0.254 38.733 39.000 -0.022 0.000 1.001 165 F HN 0.081 nan 8.300 nan 0.000 0.479 166 V N 1.477 121.366 119.914 -0.042 0.000 2.295 166 V HA -0.221 3.910 4.120 0.019 0.000 0.246 166 V C -0.344 175.675 176.094 -0.124 0.000 1.049 166 V CA 2.369 64.608 62.300 -0.103 0.000 1.024 166 V CB -1.874 29.980 31.823 0.052 0.000 0.648 166 V HN 0.227 nan 8.190 nan 0.000 0.447 167 P HA -0.095 nan 4.420 nan 0.000 0.218 167 P C 1.695 178.915 177.300 -0.134 0.000 1.149 167 P CA 1.751 64.809 63.100 -0.070 0.000 0.817 167 P CB -0.302 31.381 31.700 -0.030 0.000 0.785 168 G N -0.921 107.758 108.800 -0.201 0.000 2.433 168 G HA2 -0.312 3.660 3.960 0.019 0.000 0.216 168 G HA3 -0.312 3.660 3.960 0.019 0.000 0.216 168 G C 1.581 176.310 174.900 -0.284 0.000 1.186 168 G CA 0.631 45.582 45.100 -0.247 0.000 0.779 168 G HN 0.213 nan 8.290 nan 0.000 0.543 169 Y N 2.193 122.148 120.300 -0.575 0.000 2.165 169 Y HA -0.165 4.397 4.550 0.020 0.000 0.286 169 Y C 2.594 178.357 175.900 -0.228 0.000 1.155 169 Y CA 2.055 59.866 58.100 -0.482 0.000 1.164 169 Y CB -0.219 37.805 38.460 -0.727 0.000 0.978 169 Y HN 0.139 nan 8.280 nan 0.000 0.513 170 N N 0.267 118.835 118.700 -0.220 0.000 2.244 170 N HA -0.161 4.591 4.740 0.019 0.000 0.183 170 N C 1.735 177.127 175.510 -0.197 0.000 1.016 170 N CA 1.445 54.378 53.050 -0.196 0.000 0.866 170 N CB -0.365 38.096 38.487 -0.042 0.000 0.980 170 N HN 0.601 nan 8.380 nan 0.000 0.430 171 Q N 0.196 119.890 119.800 -0.176 0.000 2.084 171 Q HA -0.047 4.304 4.340 0.019 0.000 0.202 171 Q C 2.013 177.935 176.000 -0.129 0.000 0.978 171 Q CA 0.912 56.637 55.803 -0.129 0.000 0.844 171 Q CB 0.016 28.673 28.738 -0.135 0.000 0.898 171 Q HN 0.139 nan 8.270 nan 0.000 0.426 172 V N 0.289 120.086 119.914 -0.196 0.000 2.255 172 V HA -0.260 3.871 4.120 0.019 0.000 0.247 172 V C 2.246 178.243 176.094 -0.162 0.000 1.051 172 V CA 1.655 63.864 62.300 -0.152 0.000 1.018 172 V CB -0.493 31.209 31.823 -0.200 0.000 0.641 172 V HN 0.198 nan 8.190 nan 0.000 0.445 173 V N -0.469 119.271 119.914 -0.291 0.000 2.594 173 V HA -0.232 3.899 4.120 0.019 0.000 0.253 173 V C 2.075 178.104 176.094 -0.108 0.000 1.069 173 V CA 1.861 64.029 62.300 -0.221 0.000 1.082 173 V CB -0.698 30.940 31.823 -0.307 0.000 0.680 173 V HN 0.550 nan 8.190 nan 0.000 0.469 174 K N -0.305 120.039 120.400 -0.094 0.000 2.404 174 K HA 0.322 4.653 4.320 0.019 0.000 0.194 174 K C 1.352 177.942 176.600 -0.016 0.000 1.023 174 K CA 0.594 56.855 56.287 -0.043 0.000 1.094 174 K CB 0.449 32.927 32.500 -0.037 0.000 0.841 174 K HN 0.492 nan 8.250 nan 0.000 0.523 175 G N 1.752 110.546 108.800 -0.010 0.000 2.148 175 G HA2 -0.289 3.682 3.960 0.019 0.000 0.254 175 G HA3 -0.289 3.682 3.960 0.019 0.000 0.254 175 G C -0.306 174.627 174.900 0.055 0.000 0.981 175 G CA 0.152 45.265 45.100 0.022 0.000 0.670 175 G HN 0.392 nan 8.290 nan 0.000 0.528 176 E N -1.267 118.965 120.200 0.054 0.000 2.280 176 E HA 0.596 4.957 4.350 0.019 0.000 0.261 176 E C -0.387 176.330 176.600 0.195 0.000 1.088 176 E CA -0.892 55.560 56.400 0.087 0.000 0.915 176 E CB 1.223 30.941 29.700 0.029 0.000 1.141 176 E HN 0.277 nan 8.360 nan 0.000 0.433 177 W N 2.757 124.042 121.300 -0.025 0.000 2.527 177 W HA 0.221 4.890 4.660 0.015 0.000 0.293 177 W C -1.537 174.974 176.519 -0.015 0.000 1.036 177 W CA -0.415 56.918 57.345 -0.020 0.000 1.233 177 W CB 0.843 30.293 29.460 -0.017 0.000 1.116 177 W HN 0.478 nan 8.180 nan 0.000 0.335 178 N N 4.308 122.942 118.700 -0.111 0.000 2.690 178 N HA 0.193 4.945 4.740 0.019 0.000 0.255 178 N C 0.280 175.698 175.510 -0.154 0.000 1.195 178 N CA -0.190 52.824 53.050 -0.059 0.000 0.790 178 N CB 1.101 39.573 38.487 -0.024 0.000 1.216 178 N HN 0.034 nan 8.380 nan 0.000 0.528 179 V N 1.866 121.675 119.914 -0.174 0.000 2.332 179 V HA -0.220 3.911 4.120 0.019 0.000 0.248 179 V C 2.384 178.438 176.094 -0.068 0.000 1.055 179 V CA 2.406 64.604 62.300 -0.170 0.000 1.038 179 V CB -0.921 30.844 31.823 -0.096 0.000 0.651 179 V HN 0.700 nan 8.190 nan 0.000 0.450 180 A N 0.543 123.346 122.820 -0.028 0.000 1.940 180 A HA -0.117 4.215 4.320 0.019 0.000 0.219 180 A C 2.359 179.964 177.584 0.034 0.000 1.176 180 A CA 1.887 53.922 52.037 -0.003 0.000 0.631 180 A CB -1.131 17.854 19.000 -0.026 0.000 0.814 180 A HN 0.565 nan 8.150 nan 0.000 0.446 181 G N -0.755 108.049 108.800 0.006 0.000 2.509 181 G HA2 0.011 3.983 3.960 0.019 0.000 0.218 181 G HA3 0.011 3.983 3.960 0.019 0.000 0.218 181 G C 1.333 176.355 174.900 0.203 0.000 1.124 181 G CA 1.070 46.207 45.100 0.061 0.000 0.776 181 G HN 0.515 nan 8.290 nan 0.000 0.547 182 I N 0.271 120.894 120.570 0.088 0.000 2.947 182 I HA 0.159 4.341 4.170 0.019 0.000 0.263 182 I C 3.020 179.155 176.117 0.031 0.000 1.130 182 I CA 0.665 61.984 61.300 0.032 0.000 1.448 182 I CB -0.036 37.921 38.000 -0.072 0.000 1.222 182 I HN 0.107 nan 8.210 nan 0.000 0.453 183 A N 1.120 123.958 122.820 0.030 0.000 1.972 183 A HA -0.253 4.079 4.320 0.019 0.000 0.219 183 A C 2.270 179.848 177.584 -0.010 0.000 1.169 183 A CA 1.703 53.730 52.037 -0.016 0.000 0.635 183 A CB -1.160 17.827 19.000 -0.022 0.000 0.810 183 A HN 0.695 nan 8.150 nan 0.000 0.446 184 Y N -2.082 118.177 120.300 -0.069 0.000 2.497 184 Y HA 0.098 4.658 4.550 0.017 0.000 0.292 184 Y C 1.407 177.303 175.900 -0.008 0.000 1.137 184 Y CA 0.939 59.009 58.100 -0.050 0.000 1.285 184 Y CB 0.155 38.603 38.460 -0.021 0.000 0.991 184 Y HN 0.062 nan 8.280 nan 0.000 0.556 185 R N 1.033 121.238 120.500 -0.491 0.000 2.629 185 R HA 0.485 4.837 4.340 0.019 0.000 0.386 185 R C -0.698 175.561 176.300 -0.069 0.000 1.071 185 R CA 0.184 56.078 56.100 -0.343 0.000 1.104 185 R CB 0.611 30.571 30.300 -0.566 0.000 1.370 185 R HN 0.292 nan 8.270 nan 0.000 0.574 186 A N 0.667 123.411 122.820 -0.128 0.000 2.303 186 A HA 0.736 5.067 4.320 0.019 0.000 0.320 186 A C -1.201 176.257 177.584 -0.211 0.000 1.192 186 A CA -0.324 51.670 52.037 -0.070 0.000 0.821 186 A CB 0.670 19.622 19.000 -0.079 0.000 1.188 186 A HN 0.193 nan 8.150 nan 0.000 0.492 187 Y N 0.570 120.842 120.300 -0.046 0.000 2.570 187 Y HA 0.386 4.947 4.550 0.018 0.000 0.345 187 Y C -0.128 175.760 175.900 -0.019 0.000 1.014 187 Y CA -0.805 57.276 58.100 -0.032 0.000 1.063 187 Y CB 1.770 40.204 38.460 -0.043 0.000 1.272 187 Y HN 0.625 nan 8.280 nan 0.000 0.477 188 D N 1.170 121.654 120.400 0.140 0.000 2.339 188 D HA 0.055 4.706 4.640 0.019 0.000 0.245 188 D C 0.728 177.089 176.300 0.102 0.000 1.115 188 D CA -0.163 53.898 54.000 0.102 0.000 0.917 188 D CB 1.448 42.299 40.800 0.085 0.000 1.192 188 D HN 0.431 nan 8.370 nan 0.000 0.428 189 L N 1.224 122.490 121.223 0.073 0.000 2.156 189 L HA -0.016 4.335 4.340 0.019 0.000 0.208 189 L C 0.856 177.765 176.870 0.064 0.000 1.095 189 L CA 1.229 56.087 54.840 0.028 0.000 0.770 189 L CB -0.452 41.576 42.059 -0.052 0.000 0.914 189 L HN 0.481 nan 8.230 nan 0.000 0.439 190 E N -0.596 119.671 120.200 0.113 0.000 2.608 190 E HA 0.141 4.502 4.350 0.019 0.000 0.259 190 E C 1.141 177.782 176.600 0.068 0.000 0.951 190 E CA 0.829 57.291 56.400 0.103 0.000 0.945 190 E CB -0.069 29.686 29.700 0.092 0.000 0.916 190 E HN 0.528 nan 8.360 nan 0.000 0.477 191 G N 3.813 112.646 108.800 0.056 0.000 2.225 191 G HA2 -0.242 3.729 3.960 0.019 0.000 0.254 191 G HA3 -0.242 3.729 3.960 0.019 0.000 0.254 191 G C 0.013 174.924 174.900 0.019 0.000 0.988 191 G CA 0.368 45.491 45.100 0.038 0.000 0.625 191 G HN 0.481 nan 8.290 nan 0.000 0.527 192 K N 1.096 121.502 120.400 0.009 0.000 2.154 192 K HA 0.509 4.840 4.320 0.019 0.000 0.264 192 K C 0.149 176.735 176.600 -0.023 0.000 1.008 192 K CA -0.069 56.204 56.287 -0.024 0.000 0.937 192 K CB 0.720 33.190 32.500 -0.049 0.000 1.002 192 K HN 0.120 nan 8.250 nan 0.000 0.469 193 T N 2.892 117.424 114.554 -0.037 0.000 2.728 193 T HA 0.425 4.786 4.350 0.019 0.000 0.296 193 T C 0.418 175.096 174.700 -0.037 0.000 0.940 193 T CA -0.396 61.688 62.100 -0.027 0.000 1.013 193 T CB 0.011 68.862 68.868 -0.028 0.000 0.912 193 T HN 0.274 nan 8.240 nan 0.000 0.484 194 I N 2.638 123.194 120.570 -0.022 0.000 2.406 194 I HA 0.565 4.747 4.170 0.019 0.000 0.290 194 I C 0.679 176.797 176.117 0.001 0.000 0.999 194 I CA -0.911 60.371 61.300 -0.030 0.000 1.124 194 I CB 1.862 39.836 38.000 -0.042 0.000 1.289 194 I HN 0.645 nan 8.210 nan 0.000 0.441 195 G N 2.797 111.598 108.800 0.002 0.000 2.470 195 G HA2 0.481 4.452 3.960 0.019 0.000 0.320 195 G HA3 0.481 4.452 3.960 0.019 0.000 0.320 195 G C -0.797 174.131 174.900 0.047 0.000 1.245 195 G CA -0.350 44.772 45.100 0.037 0.000 0.935 195 G HN 0.452 nan 8.290 nan 0.000 0.476 196 T N 1.070 115.680 114.554 0.093 0.000 2.767 196 T HA 0.389 4.751 4.350 0.019 0.000 0.284 196 T C -0.014 174.775 174.700 0.148 0.000 0.973 196 T CA -0.372 61.784 62.100 0.094 0.000 0.996 196 T CB 0.886 69.802 68.868 0.080 0.000 0.927 196 T HN 0.276 nan 8.240 nan 0.000 0.456 197 V N 5.318 125.312 119.914 0.133 0.000 2.322 197 V HA 0.656 4.787 4.120 0.019 0.000 0.258 197 V C 0.902 177.101 176.094 0.174 0.000 1.074 197 V CA 0.224 62.636 62.300 0.187 0.000 0.909 197 V CB -0.351 31.590 31.823 0.197 0.000 1.090 197 V HN 1.301 nan 8.190 nan 0.000 0.486 198 G N 3.958 112.874 108.800 0.192 0.000 3.069 198 G HA2 0.354 4.325 3.960 0.019 0.000 0.686 198 G HA3 0.354 4.325 3.960 0.019 0.000 0.686 198 G C -0.353 174.628 174.900 0.136 0.000 1.161 198 G CA -0.302 44.883 45.100 0.142 0.000 0.804 198 G HN 1.479 nan 8.290 nan 0.000 0.608 199 A N 1.654 124.554 122.820 0.133 0.000 3.129 199 A HA 0.827 5.158 4.320 0.019 0.000 0.282 199 A C 1.182 178.782 177.584 0.027 0.000 0.948 199 A CA 1.023 53.104 52.037 0.072 0.000 1.027 199 A CB -0.066 18.982 19.000 0.079 0.000 1.123 199 A HN 2.193 nan 8.150 nan 0.000 0.485 200 G N 0.026 108.845 108.800 0.031 0.000 2.485 200 G HA2 0.272 4.243 3.960 0.019 0.000 0.260 200 G HA3 0.272 4.243 3.960 0.019 0.000 0.260 200 G C 0.907 175.807 174.900 0.001 0.000 1.459 200 G CA -0.363 44.748 45.100 0.017 0.000 1.060 200 G HN 0.526 nan 8.290 nan 0.000 0.546 201 R N -1.028 119.475 120.500 0.005 0.000 2.083 201 R HA -0.083 4.268 4.340 0.019 0.000 0.237 201 R C 2.568 178.866 176.300 -0.003 0.000 1.137 201 R CA 1.542 57.642 56.100 -0.000 0.000 0.951 201 R CB -0.464 29.842 30.300 0.010 0.000 0.851 201 R HN 0.471 nan 8.270 nan 0.000 0.434 202 I N 0.103 120.677 120.570 0.007 0.000 2.179 202 I HA -0.181 4.001 4.170 0.019 0.000 0.242 202 I C 2.616 178.728 176.117 -0.008 0.000 1.088 202 I CA 1.550 62.853 61.300 0.004 0.000 1.357 202 I CB -0.746 37.264 38.000 0.016 0.000 1.051 202 I HN 0.348 nan 8.210 nan 0.000 0.409 203 G N 0.897 109.694 108.800 -0.004 0.000 2.442 203 G HA2 -0.233 3.738 3.960 0.019 0.000 0.219 203 G HA3 -0.233 3.738 3.960 0.019 0.000 0.219 203 G C 1.736 176.610 174.900 -0.044 0.000 1.141 203 G CA 0.642 45.735 45.100 -0.012 0.000 0.763 203 G HN 0.329 nan 8.290 nan 0.000 0.554 204 K N -0.130 120.235 120.400 -0.058 0.000 2.057 204 K HA 0.088 4.419 4.320 0.019 0.000 0.206 204 K C 2.503 179.068 176.600 -0.057 0.000 1.050 204 K CA 0.718 56.955 56.287 -0.084 0.000 0.935 204 K CB -0.298 32.151 32.500 -0.085 0.000 0.715 204 K HN 0.265 nan 8.250 nan 0.000 0.439 205 L N 0.844 122.045 121.223 -0.037 0.000 2.083 205 L HA -0.200 4.152 4.340 0.019 0.000 0.209 205 L C 2.438 179.294 176.870 -0.023 0.000 1.083 205 L CA 0.515 55.339 54.840 -0.026 0.000 0.752 205 L CB -0.446 41.602 42.059 -0.019 0.000 0.899 205 L HN 0.168 nan 8.230 nan 0.000 0.433 206 L N -0.080 121.126 121.223 -0.028 0.000 2.017 206 L HA -0.210 4.142 4.340 0.019 0.000 0.208 206 L C 2.328 179.184 176.870 -0.024 0.000 1.073 206 L CA 1.774 56.596 54.840 -0.030 0.000 0.745 206 L CB -0.420 41.617 42.059 -0.037 0.000 0.894 206 L HN 0.092 nan 8.230 nan 0.000 0.432 207 L N -0.965 120.238 121.223 -0.033 0.000 2.083 207 L HA -0.240 4.111 4.340 0.019 0.000 0.209 207 L C 2.660 179.525 176.870 -0.007 0.000 1.083 207 L CA 1.397 56.221 54.840 -0.028 0.000 0.752 207 L CB -0.597 41.420 42.059 -0.071 0.000 0.899 207 L HN 0.417 nan 8.230 nan 0.000 0.433 208 Q N -0.293 119.499 119.800 -0.015 0.000 2.124 208 Q HA -0.198 4.154 4.340 0.019 0.000 0.202 208 Q C 2.311 178.330 176.000 0.030 0.000 0.977 208 Q CA 1.372 57.175 55.803 -0.001 0.000 0.850 208 Q CB -0.051 28.679 28.738 -0.013 0.000 0.901 208 Q HN 0.441 nan 8.270 nan 0.000 0.429 209 R N -0.034 120.490 120.500 0.040 0.000 2.153 209 R HA 0.012 4.363 4.340 0.019 0.000 0.218 209 R C 1.993 178.414 176.300 0.201 0.000 1.072 209 R CA 0.581 56.737 56.100 0.093 0.000 0.990 209 R CB 0.054 30.392 30.300 0.063 0.000 0.889 209 R HN 0.197 nan 8.270 nan 0.000 0.452 210 L N 0.422 121.722 121.223 0.129 0.000 2.313 210 L HA -0.067 4.285 4.340 0.019 0.000 0.214 210 L C 2.239 179.262 176.870 0.255 0.000 1.119 210 L CA 0.625 55.571 54.840 0.176 0.000 0.809 210 L CB -0.197 41.877 42.059 0.024 0.000 0.933 210 L HN 0.013 nan 8.230 nan 0.000 0.449 211 K N 1.594 122.079 120.400 0.142 0.000 2.052 211 K HA -0.183 4.148 4.320 0.019 0.000 0.215 211 K C -0.684 175.968 176.600 0.086 0.000 1.053 211 K CA 1.986 58.328 56.287 0.091 0.000 0.934 211 K CB -1.503 31.023 32.500 0.043 0.000 0.717 211 K HN 0.154 nan 8.250 nan 0.000 0.450 212 P HA -0.048 nan 4.420 nan 0.000 0.237 212 P C 0.545 177.756 177.300 -0.149 0.000 1.178 212 P CA 0.811 63.858 63.100 -0.089 0.000 0.766 212 P CB -0.083 31.498 31.700 -0.198 0.000 0.876 213 F N 0.405 120.348 119.950 -0.011 0.000 2.661 213 F HA 0.252 4.790 4.527 0.019 0.000 0.298 213 F C 1.753 177.551 175.800 -0.004 0.000 1.137 213 F CA 1.035 59.030 58.000 -0.009 0.000 1.454 213 F CB -0.814 38.179 39.000 -0.013 0.000 1.103 213 F HN 0.026 nan 8.300 nan 0.000 0.577 214 G N 0.455 109.338 108.800 0.138 0.000 2.256 214 G HA2 -0.265 3.706 3.960 0.019 0.000 0.272 214 G HA3 -0.265 3.706 3.960 0.019 0.000 0.272 214 G C -0.099 174.852 174.900 0.085 0.000 1.076 214 G CA -0.150 45.000 45.100 0.083 0.000 0.882 214 G HN 0.340 nan 8.290 nan 0.000 0.497 215 C N -0.494 118.861 119.300 0.091 0.000 2.328 215 C HA 0.617 5.088 4.460 0.019 0.000 0.378 215 C C 1.063 176.080 174.990 0.045 0.000 1.249 215 C CA -0.739 58.314 59.018 0.059 0.000 2.204 215 C CB 1.484 29.251 27.740 0.045 0.000 2.218 215 C HN 0.679 nan 8.230 nan 0.000 0.564 216 N N 1.282 120.000 118.700 0.030 0.000 2.558 216 N HA 0.325 5.076 4.740 0.019 0.000 0.233 216 N C -1.310 174.221 175.510 0.035 0.000 1.038 216 N CA -0.233 52.835 53.050 0.030 0.000 0.934 216 N CB 0.207 38.705 38.487 0.018 0.000 1.175 216 N HN 0.521 nan 8.380 nan 0.000 0.512 217 L N 4.512 125.768 121.223 0.054 0.000 2.276 217 L HA 0.451 4.803 4.340 0.019 0.000 0.286 217 L C -0.209 176.727 176.870 0.110 0.000 1.061 217 L CA -0.503 54.380 54.840 0.072 0.000 0.807 217 L CB 1.158 43.263 42.059 0.077 0.000 1.177 217 L HN 0.345 nan 8.230 nan 0.000 0.429 218 L N 4.120 125.411 121.223 0.113 0.000 2.370 218 L HA 0.594 4.946 4.340 0.019 0.000 0.266 218 L C -1.039 175.961 176.870 0.218 0.000 1.002 218 L CA -0.967 53.948 54.840 0.125 0.000 0.818 218 L CB 2.016 44.096 42.059 0.035 0.000 1.325 218 L HN 0.455 nan 8.230 nan 0.000 0.418 219 Y N -0.374 119.960 120.300 0.057 0.000 2.534 219 Y HA 0.698 5.259 4.550 0.019 0.000 0.345 219 Y C -1.194 174.755 175.900 0.081 0.000 1.031 219 Y CA -1.234 56.916 58.100 0.083 0.000 1.022 219 Y CB 1.277 39.800 38.460 0.105 0.000 1.292 219 Y HN 0.584 nan 8.280 nan 0.000 0.459 220 H N 1.880 120.947 119.070 -0.005 0.000 2.600 220 H HA 0.724 5.291 4.556 0.019 0.000 0.357 220 H C -1.803 173.595 175.328 0.118 0.000 1.106 220 H CA -0.323 55.645 56.048 -0.133 0.000 1.193 220 H CB 1.837 31.519 29.762 -0.132 0.000 1.594 220 H HN 0.884 nan 8.280 nan 0.000 0.526 221 D N 1.788 121.897 120.400 -0.485 0.000 2.694 221 D HA 0.141 4.792 4.640 0.019 0.000 0.260 221 D C 0.396 176.614 176.300 -0.137 0.000 1.250 221 D CA -0.600 53.293 54.000 -0.179 0.000 0.763 221 D CB 1.476 42.385 40.800 0.180 0.000 1.311 221 D HN 0.724 nan 8.370 nan 0.000 0.420 222 R N 0.172 120.639 120.500 -0.055 0.000 2.152 222 R HA 0.021 4.372 4.340 0.019 0.000 0.232 222 R C 0.599 176.922 176.300 0.039 0.000 1.117 222 R CA 0.571 56.674 56.100 0.004 0.000 0.981 222 R CB -0.002 30.306 30.300 0.013 0.000 0.870 222 R HN 0.153 nan 8.270 nan 0.000 0.451 223 L N 1.299 122.547 121.223 0.041 0.000 2.343 223 L HA 0.227 4.578 4.340 0.019 0.000 0.278 223 L C -0.644 176.192 176.870 -0.057 0.000 0.996 223 L CA -0.748 54.080 54.840 -0.020 0.000 0.831 223 L CB 1.894 43.949 42.059 -0.007 0.000 1.232 223 L HN -0.067 nan 8.230 nan 0.000 0.413 224 Q N 4.216 123.800 119.800 -0.360 0.000 2.352 224 Q HA 0.317 4.668 4.340 0.019 0.000 0.260 224 Q C -0.345 175.578 176.000 -0.128 0.000 0.976 224 Q CA -0.157 55.306 55.803 -0.567 0.000 0.881 224 Q CB 0.841 28.920 28.738 -1.098 0.000 1.235 224 Q HN 0.708 nan 8.270 nan 0.000 0.419 225 M N 2.027 121.675 119.600 0.080 0.000 2.207 225 M HA 0.204 4.696 4.480 0.019 0.000 0.311 225 M C 0.288 176.572 176.300 -0.028 0.000 1.127 225 M CA -0.253 55.037 55.300 -0.016 0.000 1.181 225 M CB 0.431 32.958 32.600 -0.122 0.000 1.409 225 M HN 0.757 nan 8.290 nan 0.000 0.461 226 A N 2.042 124.839 122.820 -0.038 0.000 2.483 226 A HA 0.199 4.530 4.320 0.019 0.000 0.238 226 A C -1.737 175.840 177.584 -0.011 0.000 1.070 226 A CA -1.158 50.861 52.037 -0.030 0.000 0.770 226 A CB -0.605 18.378 19.000 -0.029 0.000 1.008 226 A HN 0.602 nan 8.150 nan 0.000 0.497 227 P HA -0.148 nan 4.420 nan 0.000 0.217 227 P C 1.722 179.028 177.300 0.010 0.000 1.151 227 P CA 2.403 65.508 63.100 0.009 0.000 0.849 227 P CB 0.111 31.813 31.700 0.003 0.000 0.787 228 E N -0.465 119.734 120.200 -0.001 0.000 2.106 228 E HA -0.172 4.189 4.350 0.019 0.000 0.192 228 E C 1.889 178.485 176.600 -0.006 0.000 0.984 228 E CA 1.376 57.775 56.400 -0.003 0.000 0.806 228 E CB -1.579 28.116 29.700 -0.008 0.000 0.750 228 E HN 0.142 nan 8.360 nan 0.000 0.458 229 L N 0.862 122.075 121.223 -0.015 0.000 2.109 229 L HA 0.029 4.380 4.340 0.019 0.000 0.207 229 L C 2.205 179.060 176.870 -0.025 0.000 1.086 229 L CA 2.179 57.000 54.840 -0.031 0.000 0.760 229 L CB -0.220 41.806 42.059 -0.055 0.000 0.910 229 L HN 0.431 nan 8.230 nan 0.000 0.437 230 E N -0.524 119.679 120.200 0.006 0.000 2.077 230 E HA -0.253 4.109 4.350 0.019 0.000 0.193 230 E C 2.162 178.789 176.600 0.046 0.000 0.989 230 E CA 1.796 58.228 56.400 0.054 0.000 0.800 230 E CB -0.096 29.677 29.700 0.120 0.000 0.746 230 E HN 0.530 nan 8.360 nan 0.000 0.452 231 K N 0.799 121.217 120.400 0.030 0.000 2.025 231 K HA -0.144 4.187 4.320 0.019 0.000 0.207 231 K C 1.791 178.401 176.600 0.016 0.000 1.049 231 K CA 1.474 57.776 56.287 0.025 0.000 0.933 231 K CB -0.798 31.712 32.500 0.018 0.000 0.714 231 K HN 0.267 nan 8.250 nan 0.000 0.438 232 E N 0.656 120.860 120.200 0.006 0.000 2.110 232 E HA -0.123 4.238 4.350 0.019 0.000 0.193 232 E C 2.275 178.876 176.600 0.002 0.000 0.988 232 E CA 1.913 58.313 56.400 -0.000 0.000 0.804 232 E CB -0.287 29.407 29.700 -0.009 0.000 0.745 232 E HN 0.881 nan 8.360 nan 0.000 0.458 233 T N -3.450 111.104 114.554 0.000 0.000 3.067 233 T HA 0.190 4.551 4.350 0.019 0.000 0.257 233 T C 1.654 176.371 174.700 0.028 0.000 1.105 233 T CA 0.433 62.535 62.100 0.004 0.000 1.104 233 T CB 0.444 69.298 68.868 -0.024 0.000 0.925 233 T HN 0.275 nan 8.240 nan 0.000 0.498 234 G N 1.586 110.408 108.800 0.037 0.000 2.155 234 G HA2 -0.084 3.887 3.960 0.019 0.000 0.257 234 G HA3 -0.084 3.887 3.960 0.019 0.000 0.257 234 G C 0.248 175.198 174.900 0.084 0.000 0.983 234 G CA 0.011 45.143 45.100 0.054 0.000 0.676 234 G HN 1.217 nan 8.290 nan 0.000 0.528 235 A N -0.499 122.381 122.820 0.100 0.000 2.363 235 A HA 0.727 5.059 4.320 0.019 0.000 0.270 235 A C 0.315 178.086 177.584 0.312 0.000 1.121 235 A CA 0.255 52.406 52.037 0.188 0.000 0.800 235 A CB 0.669 19.752 19.000 0.138 0.000 1.052 235 A HN 0.359 nan 8.150 nan 0.000 0.493 236 K N 1.451 122.024 120.400 0.288 0.000 2.206 236 K HA 0.474 4.805 4.320 0.019 0.000 0.264 236 K C -0.927 175.723 176.600 0.084 0.000 0.967 236 K CA -0.415 55.998 56.287 0.211 0.000 0.844 236 K CB 0.747 33.308 32.500 0.101 0.000 1.099 236 K HN 0.535 nan 8.250 nan 0.000 0.441 237 F N 4.440 124.257 119.950 -0.221 0.000 2.467 237 F HA 0.295 4.833 4.527 0.019 0.000 0.362 237 F C -0.616 174.996 175.800 -0.314 0.000 1.090 237 F CA -0.282 57.329 58.000 -0.648 0.000 1.202 237 F CB 0.548 39.287 39.000 -0.436 0.000 1.113 237 F HN 0.153 nan 8.300 nan 0.000 0.541 238 V N 7.845 127.225 119.914 -0.890 0.000 2.304 238 V HA 0.120 4.251 4.120 0.019 0.000 0.278 238 V C 0.874 176.494 176.094 -0.790 0.000 1.018 238 V CA -0.541 61.389 62.300 -0.618 0.000 0.814 238 V CB 0.965 32.607 31.823 -0.301 0.000 1.021 238 V HN 0.938 nan 8.190 nan 0.000 0.440 239 E N 2.744 122.477 120.200 -0.778 0.000 2.118 239 E HA -0.188 4.174 4.350 0.019 0.000 0.195 239 E C 0.755 177.291 176.600 -0.107 0.000 0.992 239 E CA 0.985 57.092 56.400 -0.489 0.000 0.804 239 E CB 0.312 29.940 29.700 -0.120 0.000 0.741 239 E HN 0.760 nan 8.360 nan 0.000 0.458 240 D N 0.392 120.705 120.400 -0.146 0.000 2.359 240 D HA -0.011 4.640 4.640 0.019 0.000 0.230 240 D C 0.913 177.052 176.300 -0.268 0.000 1.118 240 D CA -0.241 53.675 54.000 -0.141 0.000 0.844 240 D CB 1.526 42.262 40.800 -0.107 0.000 1.059 240 D HN 0.085 nan 8.370 nan 0.000 0.493 241 L N 4.688 125.615 121.223 -0.494 0.000 2.079 241 L HA -0.197 4.155 4.340 0.019 0.000 0.210 241 L C 1.797 178.481 176.870 -0.311 0.000 1.081 241 L CA 1.663 56.122 54.840 -0.636 0.000 0.752 241 L CB -0.713 40.852 42.059 -0.824 0.000 0.896 241 L HN 0.311 nan 8.230 nan 0.000 0.433 242 N N -0.912 117.650 118.700 -0.230 0.000 2.453 242 N HA -0.168 4.583 4.740 0.019 0.000 0.183 242 N C 1.713 177.150 175.510 -0.121 0.000 1.041 242 N CA 0.941 53.897 53.050 -0.157 0.000 0.900 242 N CB -0.247 38.163 38.487 -0.128 0.000 0.961 242 N HN 0.635 nan 8.380 nan 0.000 0.443 243 E N -0.005 120.118 120.200 -0.128 0.000 2.112 243 E HA -0.046 4.316 4.350 0.019 0.000 0.190 243 E C 2.116 178.658 176.600 -0.097 0.000 0.979 243 E CA 0.623 56.963 56.400 -0.100 0.000 0.814 243 E CB -0.127 29.513 29.700 -0.100 0.000 0.762 243 E HN 0.440 nan 8.360 nan 0.000 0.460 244 M N 0.531 120.057 119.600 -0.124 0.000 2.123 244 M HA -0.108 4.383 4.480 0.019 0.000 0.263 244 M C 2.060 178.323 176.300 -0.062 0.000 1.069 244 M CA 1.106 56.348 55.300 -0.097 0.000 1.133 244 M CB -0.016 32.517 32.600 -0.113 0.000 1.356 244 M HN 0.181 nan 8.290 nan 0.000 0.415 245 L N 0.418 121.603 121.223 -0.064 0.000 2.013 245 L HA -0.186 4.165 4.340 0.019 0.000 0.212 245 L C -0.620 176.244 176.870 -0.010 0.000 1.073 245 L CA 1.537 56.366 54.840 -0.017 0.000 0.753 245 L CB -2.310 39.740 42.059 -0.014 0.000 0.890 245 L HN 0.259 nan 8.230 nan 0.000 0.432 246 P HA -0.125 nan 4.420 nan 0.000 0.226 246 P C 1.078 178.363 177.300 -0.025 0.000 1.153 246 P CA 1.177 64.268 63.100 -0.014 0.000 0.777 246 P CB 0.008 31.698 31.700 -0.017 0.000 0.794 247 K N -1.585 118.797 120.400 -0.031 0.000 2.366 247 K HA 0.040 4.372 4.320 0.019 0.000 0.198 247 K C 0.272 176.849 176.600 -0.038 0.000 1.044 247 K CA 0.243 56.511 56.287 -0.033 0.000 0.973 247 K CB -0.245 32.235 32.500 -0.032 0.000 0.767 247 K HN 0.155 nan 8.250 nan 0.000 0.475 248 C N 2.379 121.658 119.300 -0.036 0.000 2.514 248 C HA 0.115 4.587 4.460 0.019 0.000 0.392 248 C C 1.459 176.407 174.990 -0.069 0.000 1.294 248 C CA -0.880 58.112 59.018 -0.043 0.000 1.957 248 C CB 0.424 28.147 27.740 -0.027 0.000 2.541 248 C HN 0.444 nan 8.230 nan 0.000 0.569 249 D N 1.029 121.377 120.400 -0.086 0.000 2.194 249 D HA -0.002 4.650 4.640 0.019 0.000 0.204 249 D C 0.336 176.561 176.300 -0.124 0.000 0.964 249 D CA 1.340 55.266 54.000 -0.124 0.000 0.846 249 D CB 0.314 41.029 40.800 -0.141 0.000 0.962 249 D HN 0.368 nan 8.370 nan 0.000 0.490 250 V N 1.382 121.235 119.914 -0.102 0.000 2.638 250 V HA 0.377 4.508 4.120 0.019 0.000 0.306 250 V C -0.272 175.772 176.094 -0.084 0.000 1.052 250 V CA -0.732 61.503 62.300 -0.109 0.000 0.885 250 V CB 2.716 34.468 31.823 -0.120 0.000 0.999 250 V HN -0.127 nan 8.190 nan 0.000 0.424 251 I N 4.185 124.698 120.570 -0.095 0.000 2.406 251 I HA 0.561 4.743 4.170 0.019 0.000 0.290 251 I C -0.770 175.275 176.117 -0.121 0.000 0.999 251 I CA -0.858 60.399 61.300 -0.071 0.000 1.124 251 I CB 2.125 40.101 38.000 -0.040 0.000 1.289 251 I HN 0.289 nan 8.210 nan 0.000 0.441 252 V N 6.660 126.525 119.914 -0.082 0.000 2.409 252 V HA 0.389 4.520 4.120 0.019 0.000 0.291 252 V C 0.087 176.144 176.094 -0.062 0.000 1.020 252 V CA -0.702 61.538 62.300 -0.101 0.000 0.848 252 V CB 1.730 33.506 31.823 -0.078 0.000 0.990 252 V HN 0.399 nan 8.190 nan 0.000 0.430 253 I N 4.640 125.151 120.570 -0.099 0.000 2.352 253 I HA 0.357 4.538 4.170 0.019 0.000 0.290 253 I C 0.398 176.514 176.117 -0.001 0.000 1.036 253 I CA 0.238 61.513 61.300 -0.041 0.000 1.336 253 I CB 0.684 38.635 38.000 -0.083 0.000 1.407 253 I HN 0.621 nan 8.210 nan 0.000 0.497 254 N N 7.023 125.749 118.700 0.044 0.000 2.628 254 N HA 0.371 5.122 4.740 0.019 0.000 0.299 254 N C -0.743 174.808 175.510 0.069 0.000 1.834 254 N CA -0.081 52.997 53.050 0.047 0.000 0.871 254 N CB 1.037 39.549 38.487 0.042 0.000 1.377 254 N HN 0.545 nan 8.380 nan 0.000 0.493 255 M N 0.490 120.136 119.600 0.077 0.000 2.619 255 M HA 0.525 5.017 4.480 0.019 0.000 0.297 255 M C -2.332 174.010 176.300 0.070 0.000 1.229 255 M CA -1.683 53.666 55.300 0.081 0.000 0.860 255 M CB 2.771 35.435 32.600 0.107 0.000 1.741 255 M HN -0.116 nan 8.290 nan 0.000 0.462 256 P HA 0.150 nan 4.420 nan 0.000 0.272 256 P C -1.233 176.100 177.300 0.055 0.000 1.230 256 P CA -0.523 62.605 63.100 0.047 0.000 0.788 256 P CB 0.603 32.320 31.700 0.028 0.000 0.949 257 L N 2.435 123.688 121.223 0.050 0.000 2.315 257 L HA 0.372 4.723 4.340 0.019 0.000 0.283 257 L C 0.270 177.164 176.870 0.040 0.000 1.089 257 L CA 0.690 55.563 54.840 0.053 0.000 0.833 257 L CB -0.272 41.818 42.059 0.051 0.000 1.170 257 L HN 0.663 nan 8.230 nan 0.000 0.442 258 T N 0.070 114.650 114.554 0.043 0.000 2.804 258 T HA 0.611 4.972 4.350 0.019 0.000 0.290 258 T C 0.941 175.660 174.700 0.031 0.000 1.099 258 T CA -0.041 62.078 62.100 0.031 0.000 1.011 258 T CB 1.024 69.908 68.868 0.027 0.000 1.291 258 T HN 0.442 nan 8.240 nan 0.000 0.523 259 E N -0.069 120.145 120.200 0.023 0.000 2.160 259 E HA -0.039 4.322 4.350 0.019 0.000 0.195 259 E C 2.365 178.978 176.600 0.021 0.000 0.991 259 E CA 2.520 58.932 56.400 0.020 0.000 0.810 259 E CB -1.621 28.087 29.700 0.014 0.000 0.742 259 E HN 1.002 nan 8.360 nan 0.000 0.466 260 K N 0.524 120.938 120.400 0.023 0.000 2.062 260 K HA -0.073 4.258 4.320 0.019 0.000 0.205 260 K C 2.540 179.157 176.600 0.028 0.000 1.051 260 K CA 2.166 58.465 56.287 0.021 0.000 0.941 260 K CB -1.233 31.281 32.500 0.024 0.000 0.719 260 K HN 0.726 nan 8.250 nan 0.000 0.440 261 T N -2.071 112.512 114.554 0.048 0.000 3.081 261 T HA 0.103 4.464 4.350 0.019 0.000 0.255 261 T C 1.078 175.830 174.700 0.087 0.000 1.113 261 T CA -0.084 62.060 62.100 0.074 0.000 1.082 261 T CB -0.211 68.716 68.868 0.099 0.000 0.939 261 T HN 0.414 nan 8.240 nan 0.000 0.506 262 R N 1.383 121.922 120.500 0.065 0.000 2.458 262 R HA 0.341 4.692 4.340 0.019 0.000 0.303 262 R C 1.318 177.660 176.300 0.070 0.000 1.013 262 R CA 0.995 57.135 56.100 0.068 0.000 1.026 262 R CB -0.607 29.721 30.300 0.046 0.000 0.948 262 R HN 0.493 nan 8.270 nan 0.000 0.417 263 G N 4.831 113.691 108.800 0.099 0.000 2.203 263 G HA2 -0.361 3.610 3.960 0.019 0.000 0.263 263 G HA3 -0.361 3.610 3.960 0.019 0.000 0.263 263 G C 0.716 175.669 174.900 0.090 0.000 1.012 263 G CA 0.784 45.944 45.100 0.101 0.000 0.749 263 G HN 0.803 nan 8.290 nan 0.000 0.512 264 M N -2.578 117.077 119.600 0.092 0.000 2.296 264 M HA 0.314 4.805 4.480 0.019 0.000 0.265 264 M C 1.067 177.292 176.300 -0.125 0.000 1.064 264 M CA 1.116 56.401 55.300 -0.026 0.000 1.109 264 M CB -0.100 32.463 32.600 -0.062 0.000 1.396 264 M HN 0.051 nan 8.290 nan 0.000 0.430 265 F N 3.850 123.824 119.950 0.041 0.000 2.605 265 F HA 0.229 4.768 4.527 0.020 0.000 0.352 265 F C 0.443 176.267 175.800 0.040 0.000 1.236 265 F CA -0.886 57.139 58.000 0.041 0.000 1.267 265 F CB -0.688 38.346 39.000 0.058 0.000 1.632 265 F HN 0.363 nan 8.300 nan 0.000 0.639 266 N N 0.367 119.118 118.700 0.084 0.000 2.725 266 N HA 0.234 4.985 4.740 0.019 0.000 0.312 266 N C 1.067 176.603 175.510 0.043 0.000 1.295 266 N CA -0.868 52.220 53.050 0.062 0.000 0.914 266 N CB 0.446 38.946 38.487 0.021 0.000 1.177 266 N HN 0.169 nan 8.380 nan 0.000 0.601 267 K N -0.354 120.059 120.400 0.023 0.000 2.063 267 K HA -0.235 4.096 4.320 0.019 0.000 0.208 267 K C 1.595 178.182 176.600 -0.022 0.000 1.048 267 K CA 1.687 57.975 56.287 0.003 0.000 0.928 267 K CB -0.111 32.385 32.500 -0.006 0.000 0.713 267 K HN 0.699 nan 8.250 nan 0.000 0.442 268 E N 0.528 120.710 120.200 -0.030 0.000 2.028 268 E HA -0.197 4.164 4.350 0.019 0.000 0.191 268 E C 2.129 178.697 176.600 -0.055 0.000 0.988 268 E CA 0.984 57.356 56.400 -0.047 0.000 0.799 268 E CB -0.107 29.564 29.700 -0.048 0.000 0.755 268 E HN 0.344 nan 8.360 nan 0.000 0.447 269 L N 0.777 121.958 121.223 -0.070 0.000 2.056 269 L HA -0.133 4.218 4.340 0.019 0.000 0.207 269 L C 2.442 179.301 176.870 -0.018 0.000 1.078 269 L CA 1.059 55.833 54.840 -0.109 0.000 0.749 269 L CB -0.196 41.704 42.059 -0.265 0.000 0.901 269 L HN 0.328 nan 8.230 nan 0.000 0.433 270 I N -0.293 120.312 120.570 0.057 0.000 2.264 270 I HA -0.241 3.941 4.170 0.019 0.000 0.248 270 I C 2.493 178.690 176.117 0.132 0.000 1.111 270 I CA 1.289 62.690 61.300 0.167 0.000 1.382 270 I CB -0.763 37.342 38.000 0.175 0.000 1.060 270 I HN 0.337 nan 8.210 nan 0.000 0.418 271 G N 0.698 109.473 108.800 -0.041 0.000 2.448 271 G HA2 -0.296 3.675 3.960 0.019 0.000 0.219 271 G HA3 -0.296 3.675 3.960 0.019 0.000 0.219 271 G C 1.894 176.774 174.900 -0.032 0.000 1.127 271 G CA 1.122 46.092 45.100 -0.216 0.000 0.766 271 G HN 0.442 nan 8.290 nan 0.000 0.552 272 K N 0.268 120.688 120.400 0.034 0.000 2.366 272 K HA 0.433 4.764 4.320 0.019 0.000 0.198 272 K C 1.163 177.829 176.600 0.109 0.000 1.044 272 K CA 0.308 56.623 56.287 0.047 0.000 0.973 272 K CB -0.425 32.069 32.500 -0.009 0.000 0.767 272 K HN 0.402 nan 8.250 nan 0.000 0.475 273 L N 1.133 122.478 121.223 0.203 0.000 2.464 273 L HA 0.181 4.533 4.340 0.019 0.000 0.264 273 L C 0.549 177.457 176.870 0.063 0.000 1.199 273 L CA -0.740 54.182 54.840 0.137 0.000 0.818 273 L CB 0.751 42.893 42.059 0.138 0.000 1.102 273 L HN 0.225 nan 8.230 nan 0.000 0.473 274 K N 1.774 122.142 120.400 -0.054 0.000 2.511 274 K HA -0.056 4.275 4.320 0.019 0.000 0.280 274 K C 0.075 176.470 176.600 -0.342 0.000 1.008 274 K CA 0.277 56.488 56.287 -0.127 0.000 1.050 274 K CB 0.317 32.746 32.500 -0.118 0.000 0.889 274 K HN 0.378 nan 8.250 nan 0.000 0.484 275 K N 1.456 121.661 120.400 -0.325 0.000 2.453 275 K HA -0.098 4.233 4.320 0.019 0.000 0.280 275 K C 0.680 177.105 176.600 -0.291 0.000 1.045 275 K CA 1.113 57.145 56.287 -0.426 0.000 1.059 275 K CB -0.016 32.420 32.500 -0.106 0.000 0.901 275 K HN 0.815 nan 8.250 nan 0.000 0.475 276 G N 2.315 110.933 108.800 -0.304 0.000 2.157 276 G HA2 -0.260 3.711 3.960 0.019 0.000 0.239 276 G HA3 -0.260 3.711 3.960 0.019 0.000 0.239 276 G C 0.077 174.857 174.900 -0.199 0.000 0.982 276 G CA -0.027 44.954 45.100 -0.198 0.000 0.650 276 G HN 0.670 nan 8.290 nan 0.000 0.527 277 V N 1.240 121.022 119.914 -0.222 0.000 2.814 277 V HA 0.393 4.525 4.120 0.019 0.000 0.307 277 V C 0.848 176.858 176.094 -0.139 0.000 1.089 277 V CA 0.482 62.682 62.300 -0.166 0.000 1.212 277 V CB 0.688 32.432 31.823 -0.131 0.000 0.912 277 V HN 0.368 nan 8.190 nan 0.000 0.497 278 L N 7.452 128.591 121.223 -0.140 0.000 2.307 278 L HA 0.590 4.941 4.340 0.019 0.000 0.284 278 L C -0.340 176.433 176.870 -0.163 0.000 1.023 278 L CA -0.378 54.376 54.840 -0.144 0.000 0.810 278 L CB 1.543 43.512 42.059 -0.150 0.000 1.231 278 L HN 0.487 nan 8.230 nan 0.000 0.423 279 I N 3.343 123.792 120.570 -0.201 0.000 2.465 279 I HA 0.446 4.627 4.170 0.019 0.000 0.291 279 I C -0.699 175.129 176.117 -0.481 0.000 1.014 279 I CA -0.800 60.331 61.300 -0.282 0.000 1.093 279 I CB 2.407 40.282 38.000 -0.209 0.000 1.267 279 I HN 0.206 nan 8.210 nan 0.000 0.431 280 V N 5.122 124.785 119.914 -0.418 0.000 2.448 280 V HA 0.452 4.583 4.120 0.019 0.000 0.295 280 V C -0.516 175.335 176.094 -0.405 0.000 1.025 280 V CA -0.543 61.492 62.300 -0.441 0.000 0.859 280 V CB 1.850 33.504 31.823 -0.283 0.000 0.988 280 V HN 0.726 nan 8.190 nan 0.000 0.431 281 N N 3.613 122.037 118.700 -0.459 0.000 2.607 281 N HA 0.328 5.079 4.740 0.019 0.000 0.271 281 N C -0.363 175.049 175.510 -0.164 0.000 1.142 281 N CA -0.291 52.593 53.050 -0.278 0.000 0.810 281 N CB 0.960 39.301 38.487 -0.243 0.000 1.306 281 N HN 0.469 nan 8.380 nan 0.000 0.536 282 N N 1.270 119.919 118.700 -0.085 0.000 2.238 282 N HA 0.305 5.056 4.740 0.019 0.000 0.222 282 N C 0.696 176.237 175.510 0.051 0.000 1.133 282 N CA 0.049 53.102 53.050 0.005 0.000 0.854 282 N CB 0.913 39.407 38.487 0.011 0.000 1.041 282 N HN 0.594 nan 8.380 nan 0.000 0.510 283 A N 0.375 123.212 122.820 0.028 0.000 2.109 283 A HA 0.353 4.684 4.320 0.019 0.000 0.220 283 A C 0.461 178.078 177.584 0.055 0.000 1.613 283 A CA 0.769 52.836 52.037 0.049 0.000 0.620 283 A CB 0.434 19.459 19.000 0.041 0.000 1.212 283 A HN 0.015 nan 8.150 nan 0.000 0.508 284 R N -1.646 118.891 120.500 0.062 0.000 2.604 284 R HA 0.385 4.736 4.340 0.019 0.000 0.281 284 R C 0.866 177.233 176.300 0.111 0.000 1.020 284 R CA 0.085 56.224 56.100 0.065 0.000 0.899 284 R CB 1.077 31.413 30.300 0.060 0.000 1.205 284 R HN 0.467 nan 8.270 nan 0.000 0.450 285 G N 1.117 109.990 108.800 0.121 0.000 2.422 285 G HA2 -0.253 3.718 3.960 0.019 0.000 0.218 285 G HA3 -0.253 3.718 3.960 0.019 0.000 0.218 285 G C 1.027 176.037 174.900 0.184 0.000 1.146 285 G CA 1.016 46.236 45.100 0.201 0.000 0.769 285 G HN 0.608 nan 8.290 nan 0.000 0.547 286 A N 0.201 123.085 122.820 0.106 0.000 2.239 286 A HA 0.267 4.598 4.320 0.019 0.000 0.209 286 A C 2.172 179.834 177.584 0.129 0.000 1.171 286 A CA 0.354 52.446 52.037 0.091 0.000 0.768 286 A CB -0.298 18.735 19.000 0.055 0.000 0.790 286 A HN 0.404 nan 8.150 nan 0.000 0.478 287 I N -0.177 120.488 120.570 0.158 0.000 2.454 287 I HA -0.142 4.039 4.170 0.019 0.000 0.254 287 I C 0.456 176.738 176.117 0.274 0.000 1.156 287 I CA 0.438 61.858 61.300 0.198 0.000 1.433 287 I CB -0.184 37.930 38.000 0.189 0.000 1.082 287 I HN 0.273 nan 8.210 nan 0.000 0.432 288 M N 0.685 120.446 119.600 0.268 0.000 2.277 288 M HA 0.222 4.714 4.480 0.019 0.000 0.350 288 M C 0.146 176.592 176.300 0.243 0.000 1.180 288 M CA -0.185 55.293 55.300 0.297 0.000 1.103 288 M CB 0.381 33.176 32.600 0.326 0.000 1.577 288 M HN -0.007 nan 8.290 nan 0.000 0.459 289 E N 2.007 122.333 120.200 0.210 0.000 2.265 289 E HA 0.024 4.385 4.350 0.019 0.000 0.272 289 E C 0.941 177.646 176.600 0.176 0.000 1.067 289 E CA 0.019 56.505 56.400 0.143 0.000 0.900 289 E CB 1.021 30.787 29.700 0.109 0.000 1.017 289 E HN 0.513 nan 8.360 nan 0.000 0.431 290 R N 2.992 123.553 120.500 0.103 0.000 2.094 290 R HA -0.271 4.080 4.340 0.019 0.000 0.239 290 R C 2.016 178.435 176.300 0.197 0.000 1.137 290 R CA 2.006 58.157 56.100 0.085 0.000 0.943 290 R CB 0.033 30.177 30.300 -0.261 0.000 0.850 290 R HN 0.388 nan 8.270 nan 0.000 0.433 291 Q N -0.080 119.769 119.800 0.083 0.000 2.172 291 Q HA -0.001 4.350 4.340 0.019 0.000 0.200 291 Q C 1.728 177.786 176.000 0.097 0.000 0.964 291 Q CA 1.779 57.632 55.803 0.083 0.000 0.855 291 Q CB -0.157 28.602 28.738 0.035 0.000 0.918 291 Q HN 0.452 nan 8.270 nan 0.000 0.444 292 A N -0.689 122.188 122.820 0.096 0.000 1.933 292 A HA -0.121 4.211 4.320 0.019 0.000 0.218 292 A C 2.211 179.841 177.584 0.076 0.000 1.175 292 A CA 1.583 53.668 52.037 0.080 0.000 0.628 292 A CB -0.723 18.329 19.000 0.085 0.000 0.814 292 A HN 0.261 nan 8.150 nan 0.000 0.444 293 V N -0.400 119.568 119.914 0.090 0.000 2.307 293 V HA -0.224 3.907 4.120 0.019 0.000 0.245 293 V C 2.588 178.663 176.094 -0.031 0.000 1.045 293 V CA 1.938 64.213 62.300 -0.042 0.000 1.024 293 V CB -0.803 30.861 31.823 -0.265 0.000 0.651 293 V HN 0.375 nan 8.190 nan 0.000 0.449 294 V N 0.381 120.350 119.914 0.093 0.000 2.282 294 V HA -0.309 3.822 4.120 0.019 0.000 0.249 294 V C 2.319 178.449 176.094 0.061 0.000 1.057 294 V CA 2.362 64.720 62.300 0.098 0.000 1.032 294 V CB -0.791 31.131 31.823 0.166 0.000 0.645 294 V HN 0.565 nan 8.190 nan 0.000 0.447 295 D N 0.408 120.844 120.400 0.060 0.000 2.123 295 D HA -0.133 4.518 4.640 0.019 0.000 0.196 295 D C 2.155 178.481 176.300 0.043 0.000 0.992 295 D CA 1.791 55.819 54.000 0.046 0.000 0.833 295 D CB -0.304 40.519 40.800 0.038 0.000 0.954 295 D HN 0.483 nan 8.370 nan 0.000 0.455 296 A N 0.359 123.205 122.820 0.044 0.000 2.067 296 A HA -0.017 4.314 4.320 0.019 0.000 0.217 296 A C 2.438 180.058 177.584 0.061 0.000 1.156 296 A CA 0.489 52.567 52.037 0.069 0.000 0.683 296 A CB -0.291 18.768 19.000 0.098 0.000 0.808 296 A HN 0.121 nan 8.150 nan 0.000 0.455 297 V N 0.044 119.970 119.914 0.020 0.000 2.453 297 V HA -0.209 3.923 4.120 0.019 0.000 0.247 297 V C 2.328 178.442 176.094 0.033 0.000 1.048 297 V CA 2.111 64.415 62.300 0.008 0.000 1.049 297 V CB -0.597 31.205 31.823 -0.035 0.000 0.672 297 V HN 0.627 nan 8.190 nan 0.000 0.457 298 E N 0.467 120.693 120.200 0.043 0.000 2.150 298 E HA -0.165 4.196 4.350 0.019 0.000 0.193 298 E C 2.292 178.923 176.600 0.052 0.000 0.985 298 E CA 1.528 57.958 56.400 0.050 0.000 0.814 298 E CB -0.145 29.587 29.700 0.053 0.000 0.752 298 E HN 0.732 nan 8.360 nan 0.000 0.466 299 S N -1.185 114.548 115.700 0.055 0.000 2.470 299 S HA 0.107 4.588 4.470 0.019 0.000 0.225 299 S C 1.691 176.334 174.600 0.072 0.000 1.006 299 S CA 0.615 58.851 58.200 0.060 0.000 0.934 299 S CB 0.609 63.844 63.200 0.059 0.000 0.778 299 S HN 0.362 nan 8.310 nan 0.000 0.517 300 G N 0.376 109.219 108.800 0.072 0.000 2.179 300 G HA2 -0.302 3.669 3.960 0.019 0.000 0.220 300 G HA3 -0.302 3.669 3.960 0.019 0.000 0.220 300 G C 0.497 175.432 174.900 0.058 0.000 0.990 300 G CA 0.561 45.695 45.100 0.057 0.000 0.646 300 G HN 0.621 nan 8.290 nan 0.000 0.517 301 H N 0.285 119.357 119.070 0.003 0.000 2.387 301 H HA 0.251 4.818 4.556 0.018 0.000 0.299 301 H C 1.428 176.751 175.328 -0.008 0.000 1.090 301 H CA 1.638 57.686 56.048 -0.000 0.000 1.332 301 H CB -0.006 29.760 29.762 0.006 0.000 1.386 301 H HN 0.469 nan 8.280 nan 0.000 0.516 302 I N 0.740 121.329 120.570 0.031 0.000 2.325 302 I HA 0.107 4.288 4.170 0.019 0.000 0.291 302 I C 1.510 177.598 176.117 -0.049 0.000 1.019 302 I CA 0.088 61.367 61.300 -0.035 0.000 1.302 302 I CB 1.863 39.862 38.000 -0.002 0.000 1.401 302 I HN 0.322 nan 8.210 nan 0.000 0.485 303 G N 4.573 113.322 108.800 -0.086 0.000 2.511 303 G HA2 0.300 4.271 3.960 0.019 0.000 0.217 303 G HA3 0.300 4.271 3.960 0.019 0.000 0.217 303 G C 0.603 175.462 174.900 -0.068 0.000 1.133 303 G CA 0.507 45.558 45.100 -0.082 0.000 0.792 303 G HN 0.780 nan 8.290 nan 0.000 0.539 304 G N -1.747 107.012 108.800 -0.069 0.000 2.655 304 G HA2 0.437 4.408 3.960 0.019 0.000 0.296 304 G HA3 0.437 4.408 3.960 0.019 0.000 0.296 304 G C -2.325 172.536 174.900 -0.066 0.000 1.485 304 G CA -0.697 44.364 45.100 -0.065 0.000 0.869 304 G HN 0.163 nan 8.290 nan 0.000 0.540 305 Y N 1.179 121.344 120.300 -0.225 0.000 2.373 305 Y HA 0.753 5.314 4.550 0.017 0.000 0.336 305 Y C -0.468 175.245 175.900 -0.312 0.000 0.979 305 Y CA -0.770 57.137 58.100 -0.322 0.000 1.080 305 Y CB 2.453 40.632 38.460 -0.469 0.000 1.190 305 Y HN 0.734 nan 8.280 nan 0.000 0.446 306 S N 3.968 119.186 115.700 -0.805 0.000 2.571 306 S HA 0.927 5.408 4.470 0.019 0.000 0.284 306 S C -0.749 173.457 174.600 -0.656 0.000 1.128 306 S CA 0.221 58.097 58.200 -0.540 0.000 0.970 306 S CB 1.191 64.202 63.200 -0.314 0.000 1.039 306 S HN 1.339 nan 8.310 nan 0.000 0.485 307 G N 2.034 110.568 108.800 -0.443 0.000 2.441 307 G HA2 0.438 4.409 3.960 0.019 0.000 0.294 307 G HA3 0.438 4.409 3.960 0.019 0.000 0.294 307 G C -1.305 173.496 174.900 -0.164 0.000 1.393 307 G CA -0.204 44.702 45.100 -0.323 0.000 0.796 307 G HN 0.636 nan 8.290 nan 0.000 0.494 308 D N -1.630 118.756 120.400 -0.024 0.000 2.513 308 D HA 0.194 4.845 4.640 0.019 0.000 0.222 308 D C 0.671 177.171 176.300 0.333 0.000 1.210 308 D CA 0.295 54.419 54.000 0.206 0.000 0.825 308 D CB 0.412 41.365 40.800 0.256 0.000 1.037 308 D HN 0.833 nan 8.370 nan 0.000 0.506 309 V N -2.663 117.285 119.914 0.057 0.000 2.628 309 V HA 0.906 5.037 4.120 0.019 0.000 0.306 309 V C -1.300 174.779 176.094 -0.026 0.000 1.045 309 V CA -0.763 61.592 62.300 0.092 0.000 0.905 309 V CB 1.429 33.274 31.823 0.036 0.000 0.997 309 V HN 0.037 nan 8.190 nan 0.000 0.436 310 W N 0.810 122.118 121.300 0.015 0.000 3.083 310 W HA 0.746 5.416 4.660 0.017 0.000 0.333 310 W C -1.148 175.310 176.519 -0.102 0.000 1.217 310 W CA -0.400 56.896 57.345 -0.082 0.000 1.170 310 W CB 1.600 30.932 29.460 -0.214 0.000 1.437 310 W HN 0.695 nan 8.180 nan 0.000 0.557 311 D N 1.358 121.824 120.400 0.111 0.000 2.620 311 D HA 0.481 5.133 4.640 0.019 0.000 0.252 311 D C -2.580 173.793 176.300 0.123 0.000 1.207 311 D CA -2.026 52.018 54.000 0.072 0.000 0.884 311 D CB 2.250 43.039 40.800 -0.019 0.000 1.262 311 D HN -0.161 nan 8.370 nan 0.000 0.552 312 P HA 0.286 nan 4.420 nan 0.000 0.275 312 P C -1.116 176.239 177.300 0.092 0.000 1.266 312 P CA -0.411 62.735 63.100 0.077 0.000 0.793 312 P CB 0.555 32.281 31.700 0.043 0.000 1.074 313 Q N 0.126 119.955 119.800 0.048 0.000 2.271 313 Q HA 0.440 4.791 4.340 0.019 0.000 0.268 313 Q C -2.505 173.501 176.000 0.010 0.000 1.021 313 Q CA -1.788 54.027 55.803 0.019 0.000 0.802 313 Q CB 0.784 29.547 28.738 0.041 0.000 1.282 313 Q HN 0.271 nan 8.270 nan 0.000 0.431 314 P HA 0.143 nan 4.420 nan 0.000 0.267 314 P C -1.302 175.908 177.300 -0.151 0.000 1.200 314 P CA -0.187 62.859 63.100 -0.089 0.000 0.772 314 P CB 0.589 32.258 31.700 -0.053 0.000 0.855 315 A N 4.085 126.676 122.820 -0.383 0.000 2.454 315 A HA 0.380 4.711 4.320 0.019 0.000 0.260 315 A C -1.935 175.534 177.584 -0.192 0.000 1.106 315 A CA -1.001 50.813 52.037 -0.371 0.000 0.780 315 A CB -0.960 17.380 19.000 -1.099 0.000 1.044 315 A HN 0.419 nan 8.150 nan 0.000 0.498 316 P HA 0.023 nan 4.420 nan 0.000 0.269 316 P C 0.911 178.232 177.300 0.034 0.000 1.217 316 P CA -0.234 62.874 63.100 0.014 0.000 0.783 316 P CB 0.551 32.279 31.700 0.047 0.000 0.898 317 K N 1.596 122.024 120.400 0.047 0.000 2.152 317 K HA -0.204 4.127 4.320 0.019 0.000 0.206 317 K C 0.839 177.574 176.600 0.225 0.000 1.048 317 K CA 1.930 58.276 56.287 0.098 0.000 0.933 317 K CB -0.210 32.338 32.500 0.081 0.000 0.721 317 K HN 0.539 nan 8.250 nan 0.000 0.447 318 D N -1.081 119.438 120.400 0.197 0.000 2.342 318 D HA -0.092 4.559 4.640 0.019 0.000 0.221 318 D C 0.123 176.606 176.300 0.304 0.000 1.101 318 D CA -0.253 53.907 54.000 0.267 0.000 0.837 318 D CB -0.561 40.308 40.800 0.115 0.000 0.938 318 D HN 0.141 nan 8.370 nan 0.000 0.508 319 H N 2.340 121.510 119.070 0.167 0.000 3.125 319 H HA -0.002 4.564 4.556 0.017 0.000 0.310 319 H C -1.330 174.140 175.328 0.236 0.000 0.980 319 H CA -0.651 55.477 56.048 0.135 0.000 1.422 319 H CB 1.393 31.214 29.762 0.098 0.000 1.432 319 H HN 0.006 nan 8.280 nan 0.000 0.577 320 P HA -0.149 nan 4.420 nan 0.000 0.220 320 P C 1.245 178.856 177.300 0.519 0.000 1.148 320 P CA 0.899 64.196 63.100 0.328 0.000 0.803 320 P CB -0.013 31.770 31.700 0.138 0.000 0.782 321 W N 1.196 122.775 121.300 0.465 0.000 2.525 321 W HA 0.059 4.728 4.660 0.015 0.000 0.259 321 W C 2.355 178.972 176.519 0.164 0.000 1.253 321 W CA 0.370 57.862 57.345 0.245 0.000 1.262 321 W CB -1.199 28.333 29.460 0.119 0.000 1.122 321 W HN 0.047 nan 8.180 nan 0.000 0.607 322 R N -1.300 119.403 120.500 0.337 0.000 2.148 322 R HA -0.134 4.217 4.340 0.019 0.000 0.227 322 R C 0.982 177.053 176.300 -0.382 0.000 1.103 322 R CA 1.354 57.351 56.100 -0.172 0.000 0.983 322 R CB -0.461 29.361 30.300 -0.795 0.000 0.874 322 R HN 0.267 nan 8.270 nan 0.000 0.451 323 Y N -0.290 120.164 120.300 0.255 0.000 2.527 323 Y HA 0.241 4.800 4.550 0.016 0.000 0.247 323 Y C 0.737 176.723 175.900 0.142 0.000 1.138 323 Y CA -0.932 57.271 58.100 0.171 0.000 1.228 323 Y CB 0.315 38.861 38.460 0.143 0.000 1.252 323 Y HN -0.033 nan 8.280 nan 0.000 0.531 324 M N 0.700 120.443 119.600 0.237 0.000 2.241 324 M HA 0.483 4.974 4.480 0.019 0.000 0.335 324 M C -2.726 173.640 176.300 0.110 0.000 1.122 324 M CA -1.828 53.570 55.300 0.162 0.000 1.164 324 M CB 0.258 32.935 32.600 0.129 0.000 1.459 324 M HN -0.232 nan 8.290 nan 0.000 0.461 325 P HA 0.108 nan 4.420 nan 0.000 0.266 325 P C -0.713 176.611 177.300 0.039 0.000 1.195 325 P CA 0.292 63.432 63.100 0.066 0.000 0.768 325 P CB 0.275 32.011 31.700 0.061 0.000 0.838 326 N N -1.391 117.331 118.700 0.036 0.000 2.741 326 N HA -0.193 4.559 4.740 0.019 0.000 0.251 326 N C -0.199 175.312 175.510 0.001 0.000 1.112 326 N CA 1.006 54.064 53.050 0.013 0.000 0.750 326 N CB -1.638 36.847 38.487 -0.004 0.000 1.119 326 N HN 0.633 nan 8.380 nan 0.000 0.561 327 Q N -0.387 119.422 119.800 0.015 0.000 2.293 327 Q HA 0.659 5.010 4.340 0.019 0.000 0.251 327 Q C 0.145 176.150 176.000 0.008 0.000 0.930 327 Q CA 0.039 55.844 55.803 0.003 0.000 0.893 327 Q CB 1.291 30.041 28.738 0.020 0.000 1.215 327 Q HN 0.228 nan 8.270 nan 0.000 0.425 328 A N 4.418 127.221 122.820 -0.028 0.000 3.105 328 A HA 0.377 4.709 4.320 0.019 0.000 0.297 328 A C -0.574 176.989 177.584 -0.036 0.000 0.977 328 A CA -0.745 51.283 52.037 -0.016 0.000 1.020 328 A CB 0.103 19.083 19.000 -0.032 0.000 1.098 328 A HN 0.688 nan 8.150 nan 0.000 0.497 329 M N 1.175 120.779 119.600 0.006 0.000 2.228 329 M HA 0.419 4.911 4.480 0.019 0.000 0.326 329 M C 0.707 177.101 176.300 0.157 0.000 1.122 329 M CA 0.422 55.742 55.300 0.033 0.000 1.161 329 M CB 0.668 33.307 32.600 0.064 0.000 1.437 329 M HN 0.637 nan 8.290 nan 0.000 0.465 330 T N -1.007 113.691 114.554 0.241 0.000 2.841 330 T HA 0.730 5.091 4.350 0.019 0.000 0.296 330 T C -2.888 172.104 174.700 0.486 0.000 1.166 330 T CA -1.785 60.481 62.100 0.277 0.000 1.007 330 T CB 1.748 70.697 68.868 0.134 0.000 1.253 330 T HN 0.261 nan 8.240 nan 0.000 0.511 331 P HA 0.128 nan 4.420 nan 0.000 0.272 331 P C -0.392 177.126 177.300 0.365 0.000 1.254 331 P CA -0.364 62.886 63.100 0.251 0.000 0.795 331 P CB 0.107 31.843 31.700 0.060 0.000 1.022 332 H N 1.023 120.257 119.070 0.272 0.000 3.092 332 H HA 0.113 4.680 4.556 0.018 0.000 0.263 332 H C 0.210 175.739 175.328 0.334 0.000 1.611 332 H CA 0.345 56.578 56.048 0.309 0.000 1.457 332 H CB -0.300 29.640 29.762 0.295 0.000 1.731 332 H HN 0.347 nan 8.280 nan 0.000 0.532 333 T N -0.734 113.850 114.554 0.049 0.000 3.058 333 T HA -0.046 4.315 4.350 0.019 0.000 0.278 333 T C 1.889 176.547 174.700 -0.069 0.000 0.974 333 T CA 0.226 62.308 62.100 -0.029 0.000 0.893 333 T CB -0.097 68.737 68.868 -0.058 0.000 1.138 333 T HN 0.413 nan 8.240 nan 0.000 0.529 334 S N 1.281 116.949 115.700 -0.054 0.000 2.419 334 S HA 0.074 4.555 4.470 0.019 0.000 0.235 334 S C 2.011 176.597 174.600 -0.022 0.000 1.019 334 S CA 1.051 59.229 58.200 -0.037 0.000 0.982 334 S CB -1.014 62.181 63.200 -0.007 0.000 0.789 334 S HN 0.651 nan 8.310 nan 0.000 0.490 335 G N -0.400 108.411 108.800 0.018 0.000 3.371 335 G HA2 0.297 4.268 3.960 0.019 0.000 0.248 335 G HA3 0.297 4.268 3.960 0.019 0.000 0.248 335 G C 0.546 175.558 174.900 0.186 0.000 1.161 335 G CA 0.406 45.582 45.100 0.127 0.000 0.796 335 G HN 0.508 nan 8.290 nan 0.000 0.539 336 T N 0.981 115.541 114.554 0.009 0.000 3.442 336 T HA 0.244 4.605 4.350 0.019 0.000 0.295 336 T C 1.123 175.679 174.700 -0.240 0.000 1.007 336 T CA 0.215 62.239 62.100 -0.126 0.000 0.962 336 T CB -0.549 68.028 68.868 -0.485 0.000 1.187 336 T HN 0.317 nan 8.240 nan 0.000 0.490 337 T N 0.232 114.667 114.554 -0.198 0.000 2.791 337 T HA 0.170 4.531 4.350 0.019 0.000 0.323 337 T C 1.829 176.376 174.700 -0.254 0.000 1.082 337 T CA -0.739 61.227 62.100 -0.223 0.000 1.084 337 T CB 0.396 69.161 68.868 -0.171 0.000 0.992 337 T HN 0.027 nan 8.240 nan 0.000 0.547 338 I N 1.063 121.484 120.570 -0.248 0.000 2.208 338 I HA -0.158 4.024 4.170 0.019 0.000 0.245 338 I C 2.200 178.202 176.117 -0.193 0.000 1.097 338 I CA 1.490 62.659 61.300 -0.217 0.000 1.363 338 I CB -1.268 36.627 38.000 -0.175 0.000 1.051 338 I HN 0.727 nan 8.210 nan 0.000 0.413 339 D N 1.014 121.305 120.400 -0.182 0.000 2.144 339 D HA -0.106 4.545 4.640 0.019 0.000 0.200 339 D C 2.246 178.394 176.300 -0.252 0.000 0.978 339 D CA 1.463 55.357 54.000 -0.176 0.000 0.833 339 D CB 0.118 40.835 40.800 -0.139 0.000 0.961 339 D HN 0.319 nan 8.370 nan 0.000 0.470 340 A N 1.246 123.872 122.820 -0.323 0.000 1.902 340 A HA -0.227 4.104 4.320 0.019 0.000 0.217 340 A C 2.169 179.211 177.584 -0.903 0.000 1.181 340 A CA 1.308 52.996 52.037 -0.582 0.000 0.623 340 A CB -0.635 18.069 19.000 -0.494 0.000 0.818 340 A HN 0.188 nan 8.150 nan 0.000 0.443 341 Q N -0.429 119.053 119.800 -0.531 0.000 2.135 341 Q HA -0.129 4.222 4.340 0.019 0.000 0.204 341 Q C 2.086 177.971 176.000 -0.191 0.000 0.981 341 Q CA 1.450 57.080 55.803 -0.289 0.000 0.856 341 Q CB -0.372 28.299 28.738 -0.111 0.000 0.902 341 Q HN 0.694 nan 8.270 nan 0.000 0.425 342 L N 0.082 121.191 121.223 -0.191 0.000 2.046 342 L HA -0.203 4.148 4.340 0.019 0.000 0.208 342 L C 2.515 179.312 176.870 -0.121 0.000 1.077 342 L CA 1.234 55.999 54.840 -0.124 0.000 0.747 342 L CB -0.395 41.597 42.059 -0.112 0.000 0.896 342 L HN 0.179 nan 8.230 nan 0.000 0.432 343 R N -1.056 119.331 120.500 -0.188 0.000 2.081 343 R HA -0.176 4.175 4.340 0.019 0.000 0.235 343 R C 2.359 178.660 176.300 0.002 0.000 1.131 343 R CA 1.429 57.454 56.100 -0.125 0.000 0.960 343 R CB -0.393 29.810 30.300 -0.162 0.000 0.856 343 R HN 0.264 nan 8.270 nan 0.000 0.436 344 Y N 0.411 120.697 120.300 -0.022 0.000 2.181 344 Y HA -0.123 4.438 4.550 0.018 0.000 0.288 344 Y C 2.515 178.402 175.900 -0.022 0.000 1.146 344 Y CA 0.560 58.655 58.100 -0.008 0.000 1.164 344 Y CB -1.058 37.420 38.460 0.030 0.000 0.982 344 Y HN 0.089 nan 8.280 nan 0.000 0.515 345 A N 0.096 122.988 122.820 0.120 0.000 1.898 345 A HA -0.063 4.268 4.320 0.019 0.000 0.216 345 A C 2.532 180.106 177.584 -0.017 0.000 1.181 345 A CA 1.924 53.987 52.037 0.042 0.000 0.620 345 A CB -1.185 17.817 19.000 0.003 0.000 0.819 345 A HN 0.373 nan 8.150 nan 0.000 0.442 346 A N -0.504 122.292 122.820 -0.040 0.000 1.902 346 A HA 0.119 4.451 4.320 0.019 0.000 0.217 346 A C 2.386 179.914 177.584 -0.094 0.000 1.181 346 A CA 1.927 53.913 52.037 -0.084 0.000 0.623 346 A CB -1.321 17.629 19.000 -0.082 0.000 0.818 346 A HN 0.722 nan 8.150 nan 0.000 0.443 347 G N -1.341 107.426 108.800 -0.055 0.000 2.408 347 G HA2 -0.090 3.882 3.960 0.019 0.000 0.217 347 G HA3 -0.090 3.882 3.960 0.019 0.000 0.217 347 G C 1.539 176.355 174.900 -0.141 0.000 1.150 347 G CA 1.570 46.618 45.100 -0.087 0.000 0.776 347 G HN 0.432 nan 8.290 nan 0.000 0.542 348 T N 0.329 114.829 114.554 -0.089 0.000 2.777 348 T HA -0.063 4.298 4.350 0.019 0.000 0.266 348 T C 2.219 176.842 174.700 -0.128 0.000 1.040 348 T CA 1.455 63.492 62.100 -0.105 0.000 1.141 348 T CB -0.118 68.746 68.868 -0.006 0.000 0.868 348 T HN 0.376 nan 8.240 nan 0.000 0.444 349 K N 0.867 121.192 120.400 -0.125 0.000 2.057 349 K HA -0.204 4.127 4.320 0.019 0.000 0.207 349 K C 2.137 178.590 176.600 -0.245 0.000 1.049 349 K CA 1.849 58.012 56.287 -0.207 0.000 0.931 349 K CB -0.234 32.063 32.500 -0.338 0.000 0.714 349 K HN 0.162 nan 8.250 nan 0.000 0.440 350 D N 0.482 120.749 120.400 -0.222 0.000 2.104 350 D HA -0.182 4.469 4.640 0.019 0.000 0.194 350 D C 1.924 178.102 176.300 -0.203 0.000 0.994 350 D CA 1.597 55.483 54.000 -0.189 0.000 0.830 350 D CB -0.007 40.695 40.800 -0.163 0.000 0.959 350 D HN 0.261 nan 8.370 nan 0.000 0.452 351 M N -0.519 118.872 119.600 -0.349 0.000 2.175 351 M HA -0.087 4.405 4.480 0.019 0.000 0.264 351 M C 2.361 178.460 176.300 -0.335 0.000 1.063 351 M CA 0.789 55.701 55.300 -0.647 0.000 1.119 351 M CB -0.128 31.786 32.600 -1.143 0.000 1.377 351 M HN 0.101 nan 8.290 nan 0.000 0.415 352 L N -0.122 120.963 121.223 -0.230 0.000 2.017 352 L HA -0.230 4.121 4.340 0.019 0.000 0.208 352 L C 2.326 179.035 176.870 -0.267 0.000 1.073 352 L CA 1.480 56.160 54.840 -0.268 0.000 0.745 352 L CB -0.643 41.380 42.059 -0.061 0.000 0.894 352 L HN 0.332 nan 8.230 nan 0.000 0.432 353 E N -0.156 120.118 120.200 0.124 0.000 2.058 353 E HA -0.237 4.124 4.350 0.019 0.000 0.194 353 E C 2.353 179.076 176.600 0.205 0.000 0.997 353 E CA 1.168 57.767 56.400 0.331 0.000 0.801 353 E CB -0.079 29.752 29.700 0.219 0.000 0.746 353 E HN 0.414 nan 8.360 nan 0.000 0.450 354 R N -0.107 120.482 120.500 0.148 0.000 2.081 354 R HA -0.187 4.164 4.340 0.019 0.000 0.235 354 R C 2.413 178.875 176.300 0.270 0.000 1.131 354 R CA 1.549 57.785 56.100 0.226 0.000 0.960 354 R CB -0.506 29.983 30.300 0.315 0.000 0.856 354 R HN 0.289 nan 8.270 nan 0.000 0.436 355 Y N 0.905 121.297 120.300 0.152 0.000 2.128 355 Y HA -0.217 4.345 4.550 0.019 0.000 0.284 355 Y C 1.766 177.693 175.900 0.044 0.000 1.154 355 Y CA 1.423 59.562 58.100 0.065 0.000 1.149 355 Y CB -0.582 37.853 38.460 -0.041 0.000 0.976 355 Y HN -0.053 nan 8.280 nan 0.000 0.505 356 F N 0.499 120.412 119.950 -0.061 0.000 2.216 356 F HA -0.155 4.384 4.527 0.019 0.000 0.300 356 F C 2.067 177.808 175.800 -0.099 0.000 1.085 356 F CA 1.258 59.143 58.000 -0.191 0.000 1.326 356 F CB -0.165 38.835 39.000 -0.001 0.000 1.027 356 F HN -0.020 nan 8.300 nan 0.000 0.497 357 K N -0.043 120.458 120.400 0.168 0.000 2.404 357 K HA 0.190 4.521 4.320 0.019 0.000 0.194 357 K C 1.168 177.805 176.600 0.063 0.000 1.023 357 K CA 0.553 56.910 56.287 0.116 0.000 1.094 357 K CB 0.339 32.922 32.500 0.139 0.000 0.841 357 K HN 0.278 nan 8.250 nan 0.000 0.523 358 G N 2.483 111.305 108.800 0.036 0.000 2.198 358 G HA2 -0.274 3.697 3.960 0.019 0.000 0.257 358 G HA3 -0.274 3.697 3.960 0.019 0.000 0.257 358 G C -0.585 174.342 174.900 0.045 0.000 1.042 358 G CA 0.117 45.230 45.100 0.021 0.000 0.791 358 G HN 0.387 nan 8.290 nan 0.000 0.502 359 E N 0.350 120.602 120.200 0.086 0.000 2.191 359 E HA 0.426 4.787 4.350 0.019 0.000 0.274 359 E C -0.557 176.114 176.600 0.118 0.000 0.948 359 E CA -1.070 55.389 56.400 0.098 0.000 0.802 359 E CB 1.057 30.828 29.700 0.119 0.000 1.137 359 E HN 0.184 nan 8.360 nan 0.000 0.397 360 D N 1.467 121.930 120.400 0.105 0.000 2.423 360 D HA 0.046 4.698 4.640 0.019 0.000 0.238 360 D C -0.222 176.246 176.300 0.280 0.000 1.142 360 D CA 0.335 54.423 54.000 0.146 0.000 0.884 360 D CB 0.334 41.226 40.800 0.154 0.000 1.199 360 D HN 0.138 nan 8.370 nan 0.000 0.438 361 F N 1.104 121.123 119.950 0.114 0.000 2.399 361 F HA 0.260 4.799 4.527 0.019 0.000 0.313 361 F C -1.382 174.379 175.800 -0.065 0.000 1.202 361 F CA -2.644 55.266 58.000 -0.149 0.000 1.192 361 F CB -1.140 37.481 39.000 -0.632 0.000 1.256 361 F HN 0.064 nan 8.300 nan 0.000 0.558 362 P HA 0.029 nan 4.420 nan 0.000 0.262 362 P C 0.698 178.068 177.300 0.116 0.000 1.182 362 P CA 0.500 63.648 63.100 0.081 0.000 0.761 362 P CB 0.258 31.968 31.700 0.017 0.000 0.795 363 T N 2.150 116.814 114.554 0.183 0.000 2.699 363 T HA -0.217 4.144 4.350 0.019 0.000 0.268 363 T C 1.405 176.241 174.700 0.227 0.000 1.036 363 T CA 1.925 64.187 62.100 0.270 0.000 1.147 363 T CB -0.489 68.484 68.868 0.173 0.000 0.862 363 T HN 0.654 nan 8.240 nan 0.000 0.446 364 E N 1.144 121.422 120.200 0.130 0.000 2.409 364 E HA -0.096 4.265 4.350 0.019 0.000 0.198 364 E C 1.568 178.220 176.600 0.087 0.000 1.024 364 E CA 0.804 57.268 56.400 0.107 0.000 0.861 364 E CB -0.215 29.529 29.700 0.073 0.000 0.788 364 E HN 0.330 nan 8.360 nan 0.000 0.521 365 N N -0.052 118.667 118.700 0.031 0.000 2.416 365 N HA -0.000 4.751 4.740 0.019 0.000 0.177 365 N C -0.567 174.928 175.510 -0.024 0.000 1.036 365 N CA 0.405 53.429 53.050 -0.044 0.000 0.901 365 N CB -0.062 38.329 38.487 -0.159 0.000 0.976 365 N HN 0.248 nan 8.380 nan 0.000 0.444 366 Y N 0.278 120.641 120.300 0.105 0.000 2.377 366 Y HA 0.122 4.684 4.550 0.019 0.000 0.330 366 Y C 1.577 177.466 175.900 -0.018 0.000 1.108 366 Y CA -0.102 58.035 58.100 0.062 0.000 1.308 366 Y CB 0.837 39.322 38.460 0.041 0.000 1.216 366 Y HN -0.090 nan 8.280 nan 0.000 0.518 367 I N 1.626 122.226 120.570 0.050 0.000 2.947 367 I HA 0.045 4.226 4.170 0.019 0.000 0.263 367 I C -0.375 175.639 176.117 -0.172 0.000 1.130 367 I CA 0.400 61.539 61.300 -0.267 0.000 1.448 367 I CB 0.356 38.045 38.000 -0.519 0.000 1.222 367 I HN 0.220 nan 8.210 nan 0.000 0.453 368 V N 1.644 121.526 119.914 -0.053 0.000 2.588 368 V HA 0.340 4.471 4.120 0.019 0.000 0.304 368 V C -0.493 175.604 176.094 0.004 0.000 1.042 368 V CA -0.821 61.455 62.300 -0.041 0.000 0.877 368 V CB 2.019 33.807 31.823 -0.057 0.000 0.996 368 V HN 0.124 nan 8.190 nan 0.000 0.425 369 K N 3.085 123.412 120.400 -0.122 0.000 2.483 369 K HA 0.342 4.674 4.320 0.019 0.000 0.256 369 K C -0.607 175.877 176.600 -0.192 0.000 0.961 369 K CA -0.424 55.691 56.287 -0.285 0.000 0.873 369 K CB 0.754 32.813 32.500 -0.735 0.000 1.107 369 K HN 0.771 nan 8.250 nan 0.000 0.432 370 D N 3.801 124.128 120.400 -0.123 0.000 2.686 370 D HA -0.203 4.448 4.640 0.019 0.000 0.235 370 D C 0.666 176.928 176.300 -0.064 0.000 1.160 370 D CA 1.853 55.805 54.000 -0.080 0.000 0.645 370 D CB -1.003 39.739 40.800 -0.096 0.000 1.039 370 D HN 1.117 nan 8.370 nan 0.000 0.423 371 G N -0.642 108.127 108.800 -0.051 0.000 2.176 371 G HA2 -0.306 3.666 3.960 0.019 0.000 0.253 371 G HA3 -0.306 3.666 3.960 0.019 0.000 0.253 371 G C -0.057 174.817 174.900 -0.043 0.000 0.979 371 G CA 0.212 45.288 45.100 -0.039 0.000 0.641 371 G HN 0.366 nan 8.290 nan 0.000 0.530 372 E N 0.231 120.393 120.200 -0.063 0.000 2.092 372 E HA 0.476 4.838 4.350 0.019 0.000 0.271 372 E C -0.100 176.470 176.600 -0.050 0.000 0.919 372 E CA -0.868 55.498 56.400 -0.057 0.000 0.760 372 E CB 1.755 31.410 29.700 -0.075 0.000 1.106 372 E HN 0.296 nan 8.360 nan 0.000 0.408 373 L N 2.604 123.813 121.223 -0.023 0.000 2.410 373 L HA 0.231 4.583 4.340 0.019 0.000 0.273 373 L C 0.108 176.996 176.870 0.031 0.000 1.144 373 L CA -0.027 54.810 54.840 -0.005 0.000 0.863 373 L CB 0.539 42.609 42.059 0.018 0.000 1.140 373 L HN 0.552 nan 8.230 nan 0.000 0.463 374 A N 6.952 129.807 122.820 0.058 0.000 2.531 374 A HA 0.272 4.604 4.320 0.019 0.000 0.236 374 A C -1.534 176.141 177.584 0.152 0.000 1.062 374 A CA -0.582 51.526 52.037 0.118 0.000 0.760 374 A CB -0.490 18.628 19.000 0.197 0.000 0.995 374 A HN 0.813 nan 8.150 nan 0.000 0.501 375 P HA -0.174 nan 4.420 nan 0.000 0.218 375 P C 1.068 178.410 177.300 0.070 0.000 1.148 375 P CA 1.396 64.539 63.100 0.071 0.000 0.822 375 P CB 0.117 31.843 31.700 0.044 0.000 0.784 376 Q N -2.158 117.686 119.800 0.073 0.000 2.226 376 Q HA -0.148 4.203 4.340 0.019 0.000 0.204 376 Q C 1.303 177.236 176.000 -0.112 0.000 0.975 376 Q CA 1.394 57.171 55.803 -0.043 0.000 0.866 376 Q CB -0.812 27.851 28.738 -0.125 0.000 0.915 376 Q HN 0.441 nan 8.270 nan 0.000 0.440 377 Y N -0.484 119.826 120.300 0.016 0.000 2.457 377 Y HA 0.198 4.759 4.550 0.019 0.000 0.263 377 Y C 0.516 176.421 175.900 0.008 0.000 1.164 377 Y CA -0.354 57.754 58.100 0.012 0.000 1.274 377 Y CB 0.477 38.944 38.460 0.013 0.000 1.097 377 Y HN -0.078 nan 8.280 nan 0.000 0.523 378 R N 0.000 120.575 120.500 0.125 0.000 2.786 378 R HA 0.000 4.351 4.340 0.019 0.000 0.208 378 R CA 0.000 56.145 56.100 0.075 0.000 0.921 378 R CB 0.000 30.332 30.300 0.054 0.000 0.687 378 R HN 0.000 nan 8.270 nan 0.000 0.535