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 2p85_1_F DATA FIRST_RESID 31 DATA SEQUENCE GKLPPGPTPL PFIGNYLQLN TEQMYNSLMK ISERYGPVFT IHLGPRRVVV DATA SEQUENCE LCGHDAVKEA LVDQAEEFSG RGEQATFDWL FKGYGVAFSN GERAKQLRRF DATA SEQUENCE SIATLRGFGV GKRGIEERIQ EEAGFLIDAL RGTHGANIDP TFFLSRTVSN DATA SEQUENCE VISSIVFGDR FDYEDKEFLS LLRMMLGSFQ FTATSTGQLY EMFSSVMKHL DATA SEQUENCE PGPQQQAFKE LQGLEDFIAK KVEHNQRTLD PNSPRDFIDS FLIRMQEEEK DATA SEQUENCE NPNTEFYLKN LVMTTLNLFF AGTETVSTTL RYGFLLLMKH PEVEAKVHEE DATA SEQUENCE IDRVIGKNRQ PKFEDRAKMP YTEAVIHEIQ RFGDMLPMGL AHRVNKDTKF DATA SEQUENCE RDFFLPKGTE VFPMLGSVLR DPRFFSNPRD FNPQHFLDKK GQFKKSDAFV DATA SEQUENCE PFSIGKRYCF GEGLARMELF LFFTTIMQNF RFKSPQSPKD IDVSPKHVGF DATA SEQUENCE ATIPRNYTMS FLPR 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 31 G HA2 0.000 nan 3.960 nan 0.000 0.244 31 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 31 G C 0.000 174.955 174.900 0.092 0.000 0.946 31 G CA 0.000 44.932 45.100 -0.279 0.000 0.502 32 K N 0.429 121.022 120.400 0.321 0.000 2.610 32 K HA 0.352 4.671 4.320 -0.001 0.000 0.274 32 K C -0.919 175.905 176.600 0.373 0.000 1.049 32 K CA -0.667 55.799 56.287 0.298 0.000 0.945 32 K CB 1.215 33.848 32.500 0.223 0.000 1.313 32 K HN 0.496 nan 8.250 nan 0.000 0.463 33 L N 4.554 125.946 121.223 0.283 0.000 2.483 33 L HA 0.199 4.538 4.340 -0.001 0.000 0.275 33 L C -1.904 175.050 176.870 0.140 0.000 1.220 33 L CA -1.463 53.487 54.840 0.183 0.000 0.833 33 L CB 0.236 42.348 42.059 0.089 0.000 1.102 33 L HN 0.530 nan 8.230 nan 0.000 0.490 34 P HA 0.062 nan 4.420 nan 0.000 0.268 34 P C -2.472 174.726 177.300 -0.170 0.000 1.208 34 P CA -0.847 61.914 63.100 -0.566 0.000 0.777 34 P CB -0.150 31.083 31.700 -0.779 0.000 0.875 35 P HA 0.331 nan 4.420 nan 0.000 0.274 35 P C -0.286 176.993 177.300 -0.034 0.000 1.237 35 P CA 0.180 63.333 63.100 0.088 0.000 0.793 35 P CB 0.893 32.748 31.700 0.257 0.000 0.977 36 G N 0.686 109.338 108.800 -0.246 0.000 2.387 36 G HA2 0.378 4.338 3.960 -0.001 0.000 0.294 36 G HA3 0.378 4.338 3.960 -0.001 0.000 0.294 36 G C -3.301 171.200 174.900 -0.665 0.000 1.509 36 G CA -0.926 43.660 45.100 -0.858 0.000 0.806 36 G HN 0.400 nan 8.290 nan 0.000 0.546 37 P HA 0.169 nan 4.420 nan 0.000 0.264 37 P C 0.290 177.533 177.300 -0.095 0.000 1.183 37 P CA 0.351 63.325 63.100 -0.210 0.000 0.763 37 P CB 0.359 31.962 31.700 -0.160 0.000 0.807 38 T N 6.104 120.637 114.554 -0.035 0.000 2.829 38 T HA 0.188 4.538 4.350 -0.001 0.000 0.293 38 T C -1.563 173.080 174.700 -0.095 0.000 0.970 38 T CA -0.365 61.701 62.100 -0.056 0.000 1.168 38 T CB -0.363 68.495 68.868 -0.016 0.000 0.911 38 T HN 0.458 nan 8.240 nan 0.000 0.535 39 P HA 0.510 nan 4.420 nan 0.000 0.283 39 P C -0.808 176.415 177.300 -0.128 0.000 1.271 39 P CA -0.787 62.184 63.100 -0.215 0.000 0.841 39 P CB 1.296 32.661 31.700 -0.558 0.000 1.122 40 L N 1.193 122.383 121.223 -0.055 0.000 2.352 40 L HA 0.460 4.800 4.340 -0.001 0.000 0.269 40 L C -2.157 174.729 176.870 0.026 0.000 1.034 40 L CA -2.597 52.244 54.840 0.002 0.000 0.806 40 L CB 1.143 43.233 42.059 0.051 0.000 1.244 40 L HN 0.206 nan 8.230 nan 0.000 0.447 41 P HA -0.034 nan 4.420 nan 0.000 0.261 41 P C 0.073 177.510 177.300 0.229 0.000 1.183 41 P CA 0.441 63.607 63.100 0.110 0.000 0.761 41 P CB 0.195 31.954 31.700 0.099 0.000 0.785 42 F N 3.391 123.375 119.950 0.056 0.000 2.542 42 F HA -0.365 4.161 4.527 -0.001 0.000 0.713 42 F C 1.242 177.146 175.800 0.173 0.000 0.486 42 F CA 2.263 60.323 58.000 0.100 0.000 0.763 42 F CB -1.675 37.381 39.000 0.093 0.000 1.628 42 F HN 0.323 nan 8.300 nan 0.000 0.270 43 I N 0.292 120.890 120.570 0.047 0.000 3.176 43 I HA 0.368 4.538 4.170 -0.001 0.000 0.275 43 I C 1.670 177.819 176.117 0.054 0.000 1.298 43 I CA 1.040 62.399 61.300 0.098 0.000 1.445 43 I CB -1.155 37.000 38.000 0.259 0.000 1.075 43 I HN 1.022 nan 8.210 nan 0.000 0.482 44 G N 2.951 111.752 108.800 0.002 0.000 2.622 44 G HA2 -0.413 3.546 3.960 -0.001 0.000 0.307 44 G HA3 -0.413 3.546 3.960 -0.001 0.000 0.307 44 G C 0.154 175.069 174.900 0.026 0.000 1.226 44 G CA 0.828 45.921 45.100 -0.012 0.000 0.997 44 G HN 0.621 nan 8.290 nan 0.000 0.551 45 N N 0.320 119.050 118.700 0.051 0.000 2.378 45 N HA 0.346 5.085 4.740 -0.001 0.000 0.243 45 N C 1.087 176.637 175.510 0.066 0.000 1.137 45 N CA 0.318 53.391 53.050 0.038 0.000 0.862 45 N CB 0.119 38.621 38.487 0.025 0.000 1.116 45 N HN 0.530 nan 8.380 nan 0.000 0.499 46 Y N 1.250 121.559 120.300 0.015 0.000 2.151 46 Y HA -0.162 4.387 4.550 -0.001 0.000 0.284 46 Y C 1.324 177.254 175.900 0.050 0.000 1.166 46 Y CA 1.519 59.654 58.100 0.057 0.000 1.163 46 Y CB -0.122 38.443 38.460 0.174 0.000 0.974 46 Y HN 0.162 nan 8.280 nan 0.000 0.511 47 L N 0.040 121.168 121.223 -0.159 0.000 2.549 47 L HA -0.166 4.173 4.340 -0.001 0.000 0.229 47 L C 1.354 178.119 176.870 -0.176 0.000 1.158 47 L CA 1.150 55.855 54.840 -0.224 0.000 0.842 47 L CB -0.392 41.633 42.059 -0.058 0.000 0.952 47 L HN 0.336 nan 8.230 nan 0.000 0.452 48 Q N -0.436 119.285 119.800 -0.132 0.000 2.159 48 Q HA 0.357 4.697 4.340 -0.001 0.000 0.217 48 Q C -0.514 175.432 176.000 -0.090 0.000 0.818 48 Q CA -0.074 55.673 55.803 -0.093 0.000 1.008 48 Q CB 0.955 29.658 28.738 -0.058 0.000 1.148 48 Q HN 0.377 nan 8.270 nan 0.000 0.491 49 L N 0.801 121.949 121.223 -0.125 0.000 2.365 49 L HA 0.471 4.810 4.340 -0.001 0.000 0.273 49 L C -0.538 176.278 176.870 -0.091 0.000 1.000 49 L CA -1.056 53.739 54.840 -0.075 0.000 0.819 49 L CB 1.653 43.698 42.059 -0.024 0.000 1.284 49 L HN -0.044 nan 8.230 nan 0.000 0.418 50 N N 0.714 119.391 118.700 -0.037 0.000 2.527 50 N HA 0.097 4.836 4.740 -0.001 0.000 0.236 50 N C 0.678 176.201 175.510 0.021 0.000 0.999 50 N CA 0.001 53.039 53.050 -0.021 0.000 0.935 50 N CB 1.430 39.911 38.487 -0.009 0.000 1.132 50 N HN 0.555 nan 8.380 nan 0.000 0.511 51 T N 1.615 116.195 114.554 0.044 0.000 2.996 51 T HA -0.138 4.212 4.350 -0.001 0.000 0.271 51 T C 1.135 175.860 174.700 0.042 0.000 1.126 51 T CA 1.285 63.428 62.100 0.072 0.000 1.103 51 T CB 0.022 68.972 68.868 0.137 0.000 0.870 51 T HN 0.641 nan 8.240 nan 0.000 0.528 52 E N -0.672 119.550 120.200 0.037 0.000 2.340 52 E HA 0.032 4.381 4.350 -0.001 0.000 0.194 52 E C 0.617 177.243 176.600 0.043 0.000 0.996 52 E CA 0.391 56.812 56.400 0.034 0.000 0.869 52 E CB 0.373 30.096 29.700 0.037 0.000 0.835 52 E HN 0.175 nan 8.360 nan 0.000 0.493 53 Q N 0.502 120.332 119.800 0.050 0.000 3.662 53 Q HA 0.150 4.490 4.340 -0.001 0.000 0.237 53 Q C 0.280 176.330 176.000 0.083 0.000 0.895 53 Q CA -0.195 55.652 55.803 0.073 0.000 0.767 53 Q CB 0.797 29.576 28.738 0.069 0.000 1.469 53 Q HN 0.271 nan 8.270 nan 0.000 0.424 54 M N -0.064 119.594 119.600 0.096 0.000 2.213 54 M HA -0.151 4.328 4.480 -0.001 0.000 0.263 54 M C 1.551 177.935 176.300 0.140 0.000 1.062 54 M CA 1.287 56.652 55.300 0.109 0.000 1.105 54 M CB -0.793 31.884 32.600 0.128 0.000 1.385 54 M HN 0.507 nan 8.290 nan 0.000 0.417 55 Y N 2.246 122.575 120.300 0.050 0.000 2.070 55 Y HA -0.268 4.281 4.550 -0.001 0.000 0.280 55 Y C 2.091 178.025 175.900 0.056 0.000 1.148 55 Y CA 1.994 60.125 58.100 0.052 0.000 1.125 55 Y CB -0.663 37.807 38.460 0.017 0.000 0.975 55 Y HN 0.290 nan 8.280 nan 0.000 0.492 56 N N -0.142 118.546 118.700 -0.020 0.000 2.149 56 N HA -0.174 4.565 4.740 -0.001 0.000 0.188 56 N C 2.043 177.491 175.510 -0.104 0.000 1.019 56 N CA 1.522 54.504 53.050 -0.114 0.000 0.857 56 N CB -0.639 37.862 38.487 0.024 0.000 0.997 56 N HN 0.338 nan 8.380 nan 0.000 0.426 57 S N 0.989 116.665 115.700 -0.040 0.000 2.356 57 S HA 0.018 4.487 4.470 -0.001 0.000 0.223 57 S C 2.094 176.671 174.600 -0.038 0.000 1.032 57 S CA 0.705 58.886 58.200 -0.032 0.000 1.005 57 S CB -0.237 62.960 63.200 -0.006 0.000 0.867 57 S HN 0.241 nan 8.310 nan 0.000 0.449 58 L N 0.810 122.031 121.223 -0.002 0.000 2.017 58 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 58 L C 2.602 179.495 176.870 0.038 0.000 1.073 58 L CA 0.899 55.805 54.840 0.109 0.000 0.745 58 L CB -0.532 41.633 42.059 0.177 0.000 0.894 58 L HN 0.315 nan 8.230 nan 0.000 0.432 59 M N -0.096 119.414 119.600 -0.151 0.000 2.149 59 M HA -0.231 4.248 4.480 -0.001 0.000 0.261 59 M C 2.263 178.504 176.300 -0.097 0.000 1.064 59 M CA 1.659 56.861 55.300 -0.165 0.000 1.102 59 M CB -0.891 31.491 32.600 -0.363 0.000 1.369 59 M HN 0.184 nan 8.290 nan 0.000 0.408 60 K N 0.417 120.756 120.400 -0.102 0.000 2.217 60 K HA -0.002 4.317 4.320 -0.001 0.000 0.202 60 K C 1.645 178.184 176.600 -0.103 0.000 1.051 60 K CA 0.719 56.958 56.287 -0.081 0.000 0.952 60 K CB 0.035 32.497 32.500 -0.064 0.000 0.736 60 K HN 0.261 nan 8.250 nan 0.000 0.453 61 I N 0.425 120.894 120.570 -0.169 0.000 3.291 61 I HA -0.115 4.055 4.170 -0.001 0.000 0.279 61 I C 1.955 177.815 176.117 -0.429 0.000 1.294 61 I CA 0.310 61.436 61.300 -0.290 0.000 1.428 61 I CB 0.134 37.840 38.000 -0.490 0.000 1.070 61 I HN 0.179 nan 8.210 nan 0.000 0.478 62 S N 0.524 116.066 115.700 -0.264 0.000 2.421 62 S HA -0.076 4.393 4.470 -0.001 0.000 0.224 62 S C 1.810 176.398 174.600 -0.021 0.000 1.035 62 S CA 0.748 58.898 58.200 -0.084 0.000 0.953 62 S CB 0.032 63.309 63.200 0.129 0.000 0.810 62 S HN 0.378 nan 8.310 nan 0.000 0.497 63 E N 0.701 120.878 120.200 -0.039 0.000 2.130 63 E HA -0.200 4.149 4.350 -0.001 0.000 0.196 63 E C 2.269 178.834 176.600 -0.058 0.000 0.998 63 E CA 1.039 57.420 56.400 -0.031 0.000 0.806 63 E CB -0.075 29.602 29.700 -0.039 0.000 0.738 63 E HN 0.393 nan 8.360 nan 0.000 0.459 64 R N -0.564 119.877 120.500 -0.099 0.000 2.105 64 R HA -0.034 4.305 4.340 -0.001 0.000 0.214 64 R C 1.423 177.538 176.300 -0.309 0.000 1.091 64 R CA 0.733 56.703 56.100 -0.217 0.000 1.007 64 R CB 0.146 30.271 30.300 -0.291 0.000 0.912 64 R HN 0.177 nan 8.270 nan 0.000 0.450 65 Y N -0.432 119.777 120.300 -0.152 0.000 2.497 65 Y HA 0.345 4.894 4.550 -0.001 0.000 0.265 65 Y C 0.873 176.776 175.900 0.005 0.000 1.111 65 Y CA 0.650 58.690 58.100 -0.100 0.000 1.288 65 Y CB 1.139 39.480 38.460 -0.199 0.000 1.082 65 Y HN 0.359 nan 8.280 nan 0.000 0.536 66 G N 0.078 108.972 108.800 0.157 0.000 2.440 66 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.684 66 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.684 66 G C -2.292 172.767 174.900 0.265 0.000 1.309 66 G CA -0.559 44.655 45.100 0.190 0.000 0.931 66 G HN -0.133 nan 8.290 nan 0.000 0.612 67 P HA 0.088 nan 4.420 nan 0.000 0.226 67 P C 0.516 177.959 177.300 0.238 0.000 1.153 67 P CA 0.987 64.227 63.100 0.233 0.000 0.777 67 P CB 0.273 32.087 31.700 0.190 0.000 0.794 68 V N 1.814 121.872 119.914 0.239 0.000 2.443 68 V HA 0.468 4.588 4.120 -0.001 0.000 0.293 68 V C -0.296 175.817 176.094 0.031 0.000 1.021 68 V CA -0.634 61.736 62.300 0.116 0.000 0.848 68 V CB 1.103 33.074 31.823 0.247 0.000 0.998 68 V HN 0.066 nan 8.190 nan 0.000 0.424 69 F N 1.462 121.320 119.950 -0.154 0.000 2.711 69 F HA 0.816 5.342 4.527 -0.001 0.000 0.313 69 F C -0.534 175.121 175.800 -0.242 0.000 1.141 69 F CA -0.845 57.021 58.000 -0.224 0.000 0.941 69 F CB 1.650 40.559 39.000 -0.152 0.000 1.349 69 F HN 0.195 nan 8.300 nan 0.000 0.464 70 T N 2.928 117.490 114.554 0.014 0.000 2.767 70 T HA 0.675 5.025 4.350 -0.001 0.000 0.284 70 T C -1.228 173.467 174.700 -0.008 0.000 0.973 70 T CA -0.172 61.857 62.100 -0.118 0.000 0.996 70 T CB 1.158 69.954 68.868 -0.121 0.000 0.927 70 T HN 0.668 nan 8.240 nan 0.000 0.456 71 I N 2.304 122.777 120.570 -0.161 0.000 2.828 71 I HA 0.451 4.621 4.170 -0.001 0.000 0.302 71 I C -1.454 174.501 176.117 -0.271 0.000 1.101 71 I CA -0.789 60.475 61.300 -0.060 0.000 1.031 71 I CB 2.000 40.012 38.000 0.020 0.000 1.231 71 I HN 0.628 nan 8.210 nan 0.000 0.427 72 H N 6.511 125.504 119.070 -0.127 0.000 2.685 72 H HA 0.504 5.059 4.556 -0.001 0.000 0.307 72 H C -0.995 174.234 175.328 -0.165 0.000 1.017 72 H CA -0.490 55.471 56.048 -0.145 0.000 1.237 72 H CB 0.987 30.685 29.762 -0.108 0.000 1.409 72 H HN 0.324 nan 8.280 nan 0.000 0.488 73 L N 3.913 125.046 121.223 -0.150 0.000 2.334 73 L HA 0.316 4.656 4.340 -0.001 0.000 0.286 73 L C 1.273 177.940 176.870 -0.340 0.000 1.108 73 L CA -0.111 54.602 54.840 -0.212 0.000 0.875 73 L CB -0.175 41.761 42.059 -0.205 0.000 1.246 73 L HN 1.004 nan 8.230 nan 0.000 0.439 74 G N 4.865 113.406 108.800 -0.433 0.000 2.611 74 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.301 74 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.301 74 G C -1.615 173.068 174.900 -0.360 0.000 1.233 74 G CA 0.128 44.830 45.100 -0.662 0.000 0.993 74 G HN 0.562 nan 8.290 nan 0.000 0.553 75 P HA 0.117 nan 4.420 nan 0.000 0.245 75 P C 0.456 177.713 177.300 -0.071 0.000 1.212 75 P CA 0.445 63.472 63.100 -0.122 0.000 0.774 75 P CB 0.118 31.799 31.700 -0.033 0.000 0.999 76 R N 0.963 121.382 120.500 -0.135 0.000 2.254 76 R HA 0.347 4.687 4.340 -0.001 0.000 0.318 76 R C 0.578 176.756 176.300 -0.203 0.000 1.031 76 R CA -0.558 55.460 56.100 -0.137 0.000 0.905 76 R CB 1.285 31.496 30.300 -0.149 0.000 1.050 76 R HN -0.004 nan 8.270 nan 0.000 0.456 77 R N 3.082 123.441 120.500 -0.235 0.000 2.221 77 R HA 0.339 4.678 4.340 -0.001 0.000 0.327 77 R C -1.151 174.923 176.300 -0.376 0.000 1.033 77 R CA -0.337 55.501 56.100 -0.438 0.000 0.887 77 R CB 0.861 30.953 30.300 -0.348 0.000 1.057 77 R HN 0.347 nan 8.270 nan 0.000 0.455 78 V N 4.900 124.531 119.914 -0.471 0.000 2.789 78 V HA 0.349 4.468 4.120 -0.001 0.000 0.311 78 V C -0.523 175.292 176.094 -0.464 0.000 1.073 78 V CA -0.933 61.082 62.300 -0.475 0.000 0.921 78 V CB 2.169 33.531 31.823 -0.770 0.000 1.009 78 V HN 0.494 nan 8.190 nan 0.000 0.426 79 V N 4.552 124.245 119.914 -0.368 0.000 2.394 79 V HA 0.449 4.568 4.120 -0.001 0.000 0.282 79 V C -0.049 175.797 176.094 -0.412 0.000 1.031 79 V CA -0.511 61.576 62.300 -0.354 0.000 0.881 79 V CB 1.654 33.358 31.823 -0.198 0.000 0.982 79 V HN 0.627 nan 8.190 nan 0.000 0.451 80 V N 6.591 126.093 119.914 -0.686 0.000 2.539 80 V HA 0.497 4.617 4.120 -0.001 0.000 0.292 80 V C -0.149 175.686 176.094 -0.432 0.000 1.045 80 V CA -0.546 61.354 62.300 -0.667 0.000 0.945 80 V CB 1.604 32.650 31.823 -1.296 0.000 0.993 80 V HN 0.639 nan 8.190 nan 0.000 0.464 81 L N 4.164 125.276 121.223 -0.184 0.000 2.349 81 L HA 0.595 4.935 4.340 -0.001 0.000 0.278 81 L C -0.772 176.102 176.870 0.006 0.000 0.996 81 L CA -0.182 54.617 54.840 -0.069 0.000 0.825 81 L CB 1.638 43.638 42.059 -0.099 0.000 1.243 81 L HN 0.624 nan 8.230 nan 0.000 0.412 82 C N 2.003 121.346 119.300 0.071 0.000 2.493 82 C HA 0.948 5.408 4.460 -0.001 0.000 0.326 82 C C 0.764 175.832 174.990 0.130 0.000 1.200 82 C CA -0.730 58.356 59.018 0.113 0.000 1.739 82 C CB 0.879 28.709 27.740 0.151 0.000 2.300 82 C HN 1.088 nan 8.230 nan 0.000 0.500 83 G N 1.352 110.233 108.800 0.135 0.000 2.755 83 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.686 83 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.686 83 G C 0.395 175.385 174.900 0.151 0.000 1.427 83 G CA 0.339 45.537 45.100 0.164 0.000 0.873 83 G HN 1.132 nan 8.290 nan 0.000 0.580 84 H N 0.994 120.104 119.070 0.067 0.000 2.251 84 H HA -0.118 4.437 4.556 -0.001 0.000 0.294 84 H C 2.203 177.579 175.328 0.080 0.000 1.078 84 H CA 2.639 58.693 56.048 0.010 0.000 1.246 84 H CB -0.168 29.525 29.762 -0.115 0.000 1.358 84 H HN 0.618 nan 8.280 nan 0.000 0.488 85 D N 0.837 121.553 120.400 0.526 0.000 2.126 85 D HA -0.171 4.468 4.640 -0.001 0.000 0.190 85 D C 2.357 178.757 176.300 0.168 0.000 1.001 85 D CA 1.755 55.976 54.000 0.369 0.000 0.841 85 D CB -0.832 40.145 40.800 0.295 0.000 0.949 85 D HN 0.532 nan 8.370 nan 0.000 0.446 86 A N 0.699 123.627 122.820 0.180 0.000 1.873 86 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 86 A C 2.632 180.279 177.584 0.106 0.000 1.193 86 A CA 2.036 54.210 52.037 0.228 0.000 0.629 86 A CB -0.923 18.201 19.000 0.208 0.000 0.826 86 A HN 0.178 nan 8.150 nan 0.000 0.447 87 V N 0.364 120.264 119.914 -0.023 0.000 2.358 87 V HA -0.206 3.913 4.120 -0.001 0.000 0.246 87 V C 2.627 178.593 176.094 -0.213 0.000 1.047 87 V CA 2.127 64.341 62.300 -0.143 0.000 1.035 87 V CB -0.645 31.107 31.823 -0.119 0.000 0.658 87 V HN 0.512 nan 8.190 nan 0.000 0.452 88 K N 0.605 120.855 120.400 -0.251 0.000 2.032 88 K HA -0.205 4.114 4.320 -0.001 0.000 0.209 88 K C 2.090 178.616 176.600 -0.124 0.000 1.048 88 K CA 1.826 57.956 56.287 -0.262 0.000 0.927 88 K CB -0.294 31.948 32.500 -0.429 0.000 0.712 88 K HN 0.611 nan 8.250 nan 0.000 0.441 89 E N -0.139 120.051 120.200 -0.018 0.000 2.058 89 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 89 E C 1.979 178.545 176.600 -0.057 0.000 0.997 89 E CA 1.357 57.807 56.400 0.084 0.000 0.801 89 E CB -0.122 29.762 29.700 0.307 0.000 0.746 89 E HN 0.384 nan 8.360 nan 0.000 0.450 90 A N 0.909 123.469 122.820 -0.434 0.000 1.832 90 A HA -0.140 4.180 4.320 -0.001 0.000 0.214 90 A C 2.120 179.200 177.584 -0.840 0.000 1.204 90 A CA 0.968 52.248 52.037 -1.262 0.000 0.606 90 A CB -0.608 17.057 19.000 -2.226 0.000 0.849 90 A HN 0.083 nan 8.150 nan 0.000 0.445 91 L N -0.462 120.416 121.223 -0.576 0.000 2.017 91 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 91 L C 2.558 179.324 176.870 -0.172 0.000 1.073 91 L CA 1.499 56.138 54.840 -0.335 0.000 0.745 91 L CB -0.770 41.113 42.059 -0.295 0.000 0.894 91 L HN 0.220 nan 8.230 nan 0.000 0.432 92 V N -0.717 119.112 119.914 -0.142 0.000 2.251 92 V HA -0.193 3.926 4.120 -0.001 0.000 0.237 92 V C 2.048 178.122 176.094 -0.034 0.000 1.040 92 V CA 1.593 63.852 62.300 -0.068 0.000 1.005 92 V CB -0.569 31.227 31.823 -0.045 0.000 0.645 92 V HN 0.349 nan 8.190 nan 0.000 0.458 93 D N -0.134 120.254 120.400 -0.019 0.000 2.271 93 D HA -0.158 4.482 4.640 -0.001 0.000 0.207 93 D C 1.521 177.853 176.300 0.054 0.000 0.983 93 D CA 1.247 55.262 54.000 0.026 0.000 0.878 93 D CB -0.052 40.779 40.800 0.051 0.000 0.920 93 D HN 0.544 nan 8.370 nan 0.000 0.479 94 Q N -0.919 118.910 119.800 0.049 0.000 2.144 94 Q HA 0.403 4.742 4.340 -0.001 0.000 0.305 94 Q C 1.126 177.236 176.000 0.183 0.000 0.876 94 Q CA -0.235 55.666 55.803 0.162 0.000 1.130 94 Q CB 1.342 30.276 28.738 0.327 0.000 1.267 94 Q HN 0.047 nan 8.270 nan 0.000 0.433 95 A N 0.946 123.807 122.820 0.069 0.000 1.985 95 A HA -0.327 3.992 4.320 -0.001 0.000 0.223 95 A C 1.969 179.602 177.584 0.081 0.000 1.189 95 A CA 2.346 54.409 52.037 0.044 0.000 0.658 95 A CB -0.146 18.856 19.000 0.004 0.000 0.820 95 A HN 0.425 nan 8.150 nan 0.000 0.464 96 E N 0.080 120.329 120.200 0.082 0.000 2.015 96 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 96 E C 1.882 178.515 176.600 0.056 0.000 0.991 96 E CA 1.863 58.301 56.400 0.063 0.000 0.802 96 E CB -0.443 29.287 29.700 0.050 0.000 0.759 96 E HN 0.700 nan 8.360 nan 0.000 0.447 97 E N -1.004 119.232 120.200 0.059 0.000 2.110 97 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 97 E C 0.628 177.116 176.600 -0.186 0.000 0.988 97 E CA 0.805 57.166 56.400 -0.066 0.000 0.804 97 E CB -0.178 29.468 29.700 -0.089 0.000 0.745 97 E HN 0.274 nan 8.360 nan 0.000 0.458 98 F N 0.284 120.193 119.950 -0.068 0.000 2.974 98 F HA 0.116 4.642 4.527 -0.001 0.000 0.292 98 F C 0.987 176.728 175.800 -0.099 0.000 1.209 98 F CA -0.162 57.766 58.000 -0.121 0.000 1.366 98 F CB 0.428 39.285 39.000 -0.238 0.000 1.033 98 F HN -0.090 nan 8.300 nan 0.000 0.516 99 S N -1.996 113.781 115.700 0.127 0.000 2.650 99 S HA 0.367 4.837 4.470 -0.001 0.000 0.240 99 S C 0.921 175.641 174.600 0.201 0.000 1.007 99 S CA -0.288 58.025 58.200 0.188 0.000 0.984 99 S CB -0.075 63.195 63.200 0.117 0.000 0.910 99 S HN 0.225 nan 8.310 nan 0.000 0.509 100 G N 1.399 110.294 108.800 0.157 0.000 2.616 100 G HA2 0.532 4.491 3.960 -0.001 0.000 0.268 100 G HA3 0.532 4.491 3.960 -0.001 0.000 0.268 100 G C -0.564 174.406 174.900 0.116 0.000 1.213 100 G CA -0.876 44.282 45.100 0.098 0.000 0.926 100 G HN 0.394 nan 8.290 nan 0.000 0.523 101 R N -0.311 120.217 120.500 0.047 0.000 2.338 101 R HA 0.546 4.885 4.340 -0.001 0.000 0.317 101 R C 0.823 177.141 176.300 0.029 0.000 0.968 101 R CA 0.123 56.225 56.100 0.003 0.000 0.849 101 R CB 0.731 31.038 30.300 0.012 0.000 1.128 101 R HN 0.618 nan 8.270 nan 0.000 0.448 102 G N 2.818 111.635 108.800 0.028 0.000 2.711 102 G HA2 0.138 4.097 3.960 -0.001 0.000 0.186 102 G HA3 0.138 4.097 3.960 -0.001 0.000 0.186 102 G C -0.768 174.163 174.900 0.051 0.000 1.635 102 G CA 0.047 45.185 45.100 0.062 0.000 1.065 102 G HN 0.733 nan 8.290 nan 0.000 0.545 103 E N -2.115 118.116 120.200 0.052 0.000 2.369 103 E HA 0.570 4.920 4.350 -0.001 0.000 0.270 103 E C -1.434 175.142 176.600 -0.040 0.000 0.909 103 E CA -0.982 55.426 56.400 0.014 0.000 0.775 103 E CB 2.079 31.788 29.700 0.015 0.000 1.270 103 E HN 0.160 nan 8.360 nan 0.000 0.445 104 Q N 1.348 121.078 119.800 -0.117 0.000 3.021 104 Q HA 0.281 4.621 4.340 -0.001 0.000 0.234 104 Q C 0.197 176.115 176.000 -0.135 0.000 0.930 104 Q CA 0.164 55.835 55.803 -0.220 0.000 0.714 104 Q CB 1.208 29.696 28.738 -0.416 0.000 1.325 104 Q HN 0.843 nan 8.270 nan 0.000 0.473 105 A N 2.242 125.045 122.820 -0.028 0.000 1.916 105 A HA -0.329 3.991 4.320 -0.001 0.000 0.224 105 A C 1.741 179.525 177.584 0.332 0.000 1.366 105 A CA 3.015 55.131 52.037 0.132 0.000 0.692 105 A CB -0.801 18.224 19.000 0.042 0.000 0.841 105 A HN 0.689 nan 8.150 nan 0.000 0.480 106 T N -0.739 113.928 114.554 0.188 0.000 2.622 106 T HA -0.155 4.194 4.350 -0.001 0.000 0.266 106 T C 1.583 176.241 174.700 -0.069 0.000 1.047 106 T CA 1.843 63.937 62.100 -0.010 0.000 1.159 106 T CB -0.549 68.120 68.868 -0.331 0.000 0.863 106 T HN 0.455 nan 8.240 nan 0.000 0.422 107 F N 1.727 121.649 119.950 -0.046 0.000 2.134 107 F HA -0.094 4.433 4.527 -0.001 0.000 0.299 107 F C 2.451 178.352 175.800 0.169 0.000 1.097 107 F CA 0.890 58.880 58.000 -0.017 0.000 1.264 107 F CB -0.575 38.020 39.000 -0.674 0.000 1.001 107 F HN 0.078 nan 8.300 nan 0.000 0.479 108 D N -0.694 119.792 120.400 0.143 0.000 2.190 108 D HA -0.250 4.390 4.640 -0.001 0.000 0.200 108 D C 1.740 178.188 176.300 0.246 0.000 0.992 108 D CA 1.006 55.117 54.000 0.186 0.000 0.854 108 D CB -0.676 40.178 40.800 0.091 0.000 0.936 108 D HN 0.464 nan 8.370 nan 0.000 0.462 109 W N 0.713 122.047 121.300 0.055 0.000 2.350 109 W HA -0.173 4.487 4.660 -0.001 0.000 0.289 109 W C 1.933 178.394 176.519 -0.096 0.000 1.215 109 W CA 1.010 58.311 57.345 -0.073 0.000 1.236 109 W CB -0.203 29.123 29.460 -0.224 0.000 1.130 109 W HN 0.029 nan 8.180 nan 0.000 0.541 110 L N -0.937 120.420 121.223 0.223 0.000 2.121 110 L HA 0.101 4.440 4.340 -0.001 0.000 0.200 110 L C 2.284 179.077 176.870 -0.129 0.000 1.077 110 L CA 1.725 56.536 54.840 -0.048 0.000 0.766 110 L CB -1.221 40.830 42.059 -0.014 0.000 0.931 110 L HN -0.066 nan 8.230 nan 0.000 0.452 111 F N 0.622 120.694 119.950 0.204 0.000 2.134 111 F HA -0.124 4.402 4.527 -0.001 0.000 0.299 111 F C 1.243 177.176 175.800 0.220 0.000 1.097 111 F CA 1.165 59.316 58.000 0.252 0.000 1.264 111 F CB -0.520 38.692 39.000 0.353 0.000 1.001 111 F HN 0.010 nan 8.300 nan 0.000 0.479 112 K N 0.096 120.661 120.400 0.276 0.000 3.077 112 K HA -0.235 4.084 4.320 -0.001 0.000 0.264 112 K C 0.961 177.559 176.600 -0.003 0.000 1.008 112 K CA 0.185 56.548 56.287 0.128 0.000 0.740 112 K CB -2.018 30.549 32.500 0.112 0.000 1.273 112 K HN 0.678 nan 8.250 nan 0.000 0.477 113 G N -1.328 107.505 108.800 0.056 0.000 2.317 113 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.227 113 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.227 113 G C 0.154 175.004 174.900 -0.084 0.000 1.042 113 G CA 0.290 45.330 45.100 -0.099 0.000 0.623 113 G HN 0.320 nan 8.290 nan 0.000 0.509 114 Y N 1.032 121.474 120.300 0.236 0.000 2.299 114 Y HA 0.454 5.003 4.550 -0.001 0.000 0.335 114 Y C 1.261 177.342 175.900 0.301 0.000 1.287 114 Y CA 0.775 59.020 58.100 0.242 0.000 1.424 114 Y CB 1.010 39.617 38.460 0.245 0.000 1.326 114 Y HN 1.367 nan 8.280 nan 0.000 0.567 115 G N -0.410 108.623 108.800 0.389 0.000 2.603 115 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.686 115 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.686 115 G C -0.087 174.872 174.900 0.098 0.000 1.286 115 G CA -0.389 44.874 45.100 0.271 0.000 0.871 115 G HN 0.894 nan 8.290 nan 0.000 0.568 116 V N 0.377 120.304 119.914 0.022 0.000 2.500 116 V HA 0.364 4.483 4.120 -0.001 0.000 0.243 116 V C 2.921 178.932 176.094 -0.139 0.000 1.039 116 V CA 2.770 65.074 62.300 0.008 0.000 1.053 116 V CB -0.546 31.353 31.823 0.125 0.000 0.695 116 V HN 2.178 nan 8.190 nan 0.000 0.463 117 A N -0.223 122.345 122.820 -0.419 0.000 1.898 117 A HA 0.048 4.368 4.320 -0.001 0.000 0.216 117 A C 1.404 178.488 177.584 -0.832 0.000 1.181 117 A CA 1.632 53.192 52.037 -0.795 0.000 0.620 117 A CB -0.593 17.557 19.000 -1.418 0.000 0.819 117 A HN 0.655 nan 8.150 nan 0.000 0.442 118 F N 0.841 120.643 119.950 -0.247 0.000 2.942 118 F HA 0.343 4.870 4.527 -0.001 0.000 0.324 118 F C 0.701 176.458 175.800 -0.072 0.000 1.265 118 F CA -0.066 57.831 58.000 -0.171 0.000 1.255 118 F CB 0.395 39.269 39.000 -0.211 0.000 1.048 118 F HN 0.165 nan 8.300 nan 0.000 0.512 119 S N -0.940 114.776 115.700 0.027 0.000 2.667 119 S HA 0.631 5.101 4.470 -0.001 0.000 0.292 119 S C -0.925 173.684 174.600 0.015 0.000 1.126 119 S CA -0.893 57.324 58.200 0.027 0.000 0.881 119 S CB 2.605 65.822 63.200 0.028 0.000 1.132 119 S HN 0.136 nan 8.310 nan 0.000 0.492 120 N N -0.785 117.921 118.700 0.010 0.000 2.469 120 N HA 0.673 5.412 4.740 -0.001 0.000 0.286 120 N C 0.673 176.191 175.510 0.014 0.000 1.275 120 N CA 0.278 53.336 53.050 0.015 0.000 0.790 120 N CB 1.557 40.051 38.487 0.012 0.000 1.446 120 N HN 1.168 nan 8.380 nan 0.000 0.501 121 G N 1.242 110.054 108.800 0.019 0.000 2.614 121 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.303 121 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.303 121 G C 0.913 175.826 174.900 0.020 0.000 1.270 121 G CA 0.650 45.762 45.100 0.019 0.000 0.988 121 G HN 0.591 nan 8.290 nan 0.000 0.551 122 E N 0.287 120.499 120.200 0.019 0.000 2.026 122 E HA -0.203 4.146 4.350 -0.001 0.000 0.206 122 E C 2.532 179.131 176.600 -0.001 0.000 1.028 122 E CA 1.593 58.002 56.400 0.016 0.000 0.845 122 E CB -0.579 29.134 29.700 0.022 0.000 0.772 122 E HN 0.569 nan 8.360 nan 0.000 0.462 123 R N 0.287 120.784 120.500 -0.005 0.000 2.228 123 R HA -0.233 4.107 4.340 -0.001 0.000 0.259 123 R C 1.913 178.199 176.300 -0.023 0.000 1.183 123 R CA 1.654 57.738 56.100 -0.027 0.000 1.002 123 R CB -0.087 30.223 30.300 0.018 0.000 0.879 123 R HN 0.188 nan 8.270 nan 0.000 0.467 124 A N 0.095 122.917 122.820 0.003 0.000 1.956 124 A HA -0.025 4.295 4.320 -0.001 0.000 0.212 124 A C 1.928 179.531 177.584 0.031 0.000 1.188 124 A CA 0.740 52.789 52.037 0.020 0.000 0.675 124 A CB -0.209 18.806 19.000 0.025 0.000 0.845 124 A HN 0.319 nan 8.150 nan 0.000 0.455 125 K N -0.479 119.937 120.400 0.027 0.000 2.032 125 K HA -0.196 4.123 4.320 -0.001 0.000 0.209 125 K C 2.205 178.828 176.600 0.040 0.000 1.048 125 K CA 1.638 57.947 56.287 0.036 0.000 0.927 125 K CB -0.141 32.379 32.500 0.033 0.000 0.712 125 K HN 0.376 nan 8.250 nan 0.000 0.441 126 Q N 0.768 120.578 119.800 0.016 0.000 1.941 126 Q HA -0.125 4.215 4.340 -0.001 0.000 0.201 126 Q C 2.330 178.354 176.000 0.040 0.000 0.982 126 Q CA 1.508 57.323 55.803 0.021 0.000 0.839 126 Q CB -0.553 28.122 28.738 -0.105 0.000 0.904 126 Q HN 0.379 nan 8.270 nan 0.000 0.427 127 L N 0.593 121.772 121.223 -0.073 0.000 2.197 127 L HA -0.247 4.093 4.340 -0.001 0.000 0.215 127 L C 2.687 179.677 176.870 0.201 0.000 1.095 127 L CA 1.409 56.290 54.840 0.068 0.000 0.764 127 L CB -0.468 41.625 42.059 0.057 0.000 0.897 127 L HN 0.253 nan 8.230 nan 0.000 0.436 128 R N -0.117 120.444 120.500 0.101 0.000 2.075 128 R HA -0.082 4.257 4.340 -0.001 0.000 0.226 128 R C 2.546 178.799 176.300 -0.079 0.000 1.114 128 R CA 0.744 56.845 56.100 0.000 0.000 0.972 128 R CB -0.023 30.295 30.300 0.030 0.000 0.869 128 R HN 0.186 nan 8.270 nan 0.000 0.437 129 R N -0.314 120.204 120.500 0.029 0.000 2.075 129 R HA -0.135 4.204 4.340 -0.001 0.000 0.232 129 R C 2.158 178.490 176.300 0.053 0.000 1.126 129 R CA 1.555 57.664 56.100 0.015 0.000 0.963 129 R CB -0.448 29.886 30.300 0.055 0.000 0.858 129 R HN 0.239 nan 8.270 nan 0.000 0.435 130 F N 1.224 121.209 119.950 0.059 0.000 2.095 130 F HA -0.239 4.288 4.527 -0.001 0.000 0.298 130 F C 2.447 178.313 175.800 0.111 0.000 1.104 130 F CA 1.697 59.760 58.000 0.104 0.000 1.232 130 F CB -0.342 38.822 39.000 0.274 0.000 0.987 130 F HN -0.091 nan 8.300 nan 0.000 0.475 131 S N 0.893 116.743 115.700 0.249 0.000 2.353 131 S HA -0.209 4.260 4.470 -0.001 0.000 0.222 131 S C 2.002 176.561 174.600 -0.068 0.000 1.035 131 S CA 1.917 60.253 58.200 0.225 0.000 1.025 131 S CB -0.569 62.724 63.200 0.155 0.000 0.902 131 S HN 0.441 nan 8.310 nan 0.000 0.440 132 I N 1.320 121.691 120.570 -0.331 0.000 2.493 132 I HA -0.157 4.012 4.170 -0.001 0.000 0.254 132 I C 2.448 178.480 176.117 -0.141 0.000 1.160 132 I CA 0.845 61.962 61.300 -0.305 0.000 1.445 132 I CB -0.442 37.353 38.000 -0.341 0.000 1.086 132 I HN 0.244 nan 8.210 nan 0.000 0.433 133 A N 0.651 123.371 122.820 -0.167 0.000 1.825 133 A HA -0.230 4.090 4.320 -0.001 0.000 0.214 133 A C 2.457 179.918 177.584 -0.205 0.000 1.206 133 A CA 2.289 54.217 52.037 -0.182 0.000 0.609 133 A CB -1.293 17.574 19.000 -0.221 0.000 0.851 133 A HN 0.373 nan 8.150 nan 0.000 0.445 134 T N -0.952 113.389 114.554 -0.356 0.000 2.996 134 T HA -0.044 4.306 4.350 -0.001 0.000 0.271 134 T C 1.586 176.353 174.700 0.112 0.000 1.126 134 T CA 1.478 63.425 62.100 -0.255 0.000 1.103 134 T CB -0.499 68.025 68.868 -0.575 0.000 0.870 134 T HN 0.306 nan 8.240 nan 0.000 0.528 135 L N -0.546 120.747 121.223 0.115 0.000 2.202 135 L HA 0.172 4.511 4.340 -0.001 0.000 0.205 135 L C 3.131 180.077 176.870 0.125 0.000 1.083 135 L CA 0.455 55.414 54.840 0.200 0.000 0.790 135 L CB -0.265 41.902 42.059 0.180 0.000 0.942 135 L HN 0.105 nan 8.230 nan 0.000 0.452 136 R N 0.216 120.737 120.500 0.035 0.000 2.073 136 R HA -0.031 4.309 4.340 -0.001 0.000 0.229 136 R C 2.179 178.467 176.300 -0.019 0.000 1.120 136 R CA 1.316 57.419 56.100 0.005 0.000 0.967 136 R CB -1.104 29.180 30.300 -0.028 0.000 0.862 136 R HN 0.322 nan 8.270 nan 0.000 0.436 137 G N -0.389 108.366 108.800 -0.074 0.000 2.470 137 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.220 137 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.220 137 G C 0.757 175.521 174.900 -0.226 0.000 1.121 137 G CA 0.191 45.184 45.100 -0.179 0.000 0.766 137 G HN 0.195 nan 8.290 nan 0.000 0.553 138 F N 0.473 120.408 119.950 -0.024 0.000 2.645 138 F HA 0.395 4.921 4.527 -0.001 0.000 0.300 138 F C 1.790 177.587 175.800 -0.005 0.000 1.115 138 F CA -0.056 57.941 58.000 -0.004 0.000 1.355 138 F CB 0.688 39.705 39.000 0.028 0.000 1.026 138 F HN 0.224 nan 8.300 nan 0.000 0.536 139 G N -0.257 108.613 108.800 0.116 0.000 2.179 139 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.220 139 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.220 139 G C 0.142 175.063 174.900 0.034 0.000 0.990 139 G CA -0.048 45.088 45.100 0.060 0.000 0.646 139 G HN 0.063 nan 8.290 nan 0.000 0.517 140 V N 1.007 120.957 119.914 0.060 0.000 2.673 140 V HA 0.408 4.527 4.120 -0.001 0.000 0.303 140 V C 2.038 178.130 176.094 -0.003 0.000 1.046 140 V CA 1.958 64.281 62.300 0.039 0.000 1.126 140 V CB 0.842 32.710 31.823 0.074 0.000 0.934 140 V HN 1.999 nan 8.190 nan 0.000 0.487 141 G N 4.301 113.083 108.800 -0.030 0.000 2.284 141 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.261 141 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.261 141 G C 0.332 175.159 174.900 -0.120 0.000 0.997 141 G CA 0.775 45.839 45.100 -0.061 0.000 0.621 141 G HN 0.625 nan 8.290 nan 0.000 0.534 142 K N -0.963 119.368 120.400 -0.114 0.000 2.240 142 K HA 0.714 5.033 4.320 -0.001 0.000 0.237 142 K C 1.299 177.765 176.600 -0.224 0.000 1.027 142 K CA -0.424 55.770 56.287 -0.154 0.000 0.937 142 K CB 0.513 32.961 32.500 -0.087 0.000 1.171 142 K HN 0.041 nan 8.250 nan 0.000 0.479 143 R N 0.685 121.049 120.500 -0.227 0.000 2.103 143 R HA -0.117 4.222 4.340 -0.001 0.000 0.242 143 R C 1.791 178.013 176.300 -0.131 0.000 1.142 143 R CA 2.350 58.316 56.100 -0.223 0.000 0.960 143 R CB -1.128 29.095 30.300 -0.128 0.000 0.858 143 R HN 0.854 nan 8.270 nan 0.000 0.439 144 G N 0.620 109.373 108.800 -0.079 0.000 2.529 144 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.219 144 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.219 144 G C 1.366 176.245 174.900 -0.034 0.000 1.177 144 G CA 1.183 46.261 45.100 -0.037 0.000 0.773 144 G HN 0.423 nan 8.290 nan 0.000 0.573 145 I N 0.395 120.940 120.570 -0.042 0.000 2.617 145 I HA 0.056 4.225 4.170 -0.001 0.000 0.256 145 I C 2.392 178.473 176.117 -0.059 0.000 1.167 145 I CA 1.123 62.405 61.300 -0.029 0.000 1.469 145 I CB -0.215 37.778 38.000 -0.012 0.000 1.098 145 I HN 0.340 nan 8.210 nan 0.000 0.436 146 E N 0.868 121.001 120.200 -0.111 0.000 2.085 146 E HA -0.300 4.049 4.350 -0.001 0.000 0.194 146 E C 1.989 178.549 176.600 -0.066 0.000 0.994 146 E CA 1.833 58.161 56.400 -0.119 0.000 0.801 146 E CB -0.128 29.436 29.700 -0.227 0.000 0.743 146 E HN 0.790 nan 8.360 nan 0.000 0.453 147 E N -0.057 120.109 120.200 -0.056 0.000 2.112 147 E HA -0.197 4.152 4.350 -0.001 0.000 0.190 147 E C 2.204 178.772 176.600 -0.054 0.000 0.979 147 E CA 0.507 56.884 56.400 -0.039 0.000 0.814 147 E CB -0.323 29.362 29.700 -0.026 0.000 0.762 147 E HN -0.058 nan 8.360 nan 0.000 0.460 148 R N 1.443 121.916 120.500 -0.044 0.000 2.159 148 R HA -0.038 4.302 4.340 -0.001 0.000 0.237 148 R C 1.923 178.197 176.300 -0.043 0.000 1.131 148 R CA 1.246 57.321 56.100 -0.042 0.000 0.982 148 R CB -0.577 29.720 30.300 -0.006 0.000 0.868 148 R HN 0.415 nan 8.270 nan 0.000 0.453 149 I N -0.267 120.275 120.570 -0.046 0.000 2.333 149 I HA -0.202 3.967 4.170 -0.001 0.000 0.246 149 I C 2.085 178.153 176.117 -0.082 0.000 1.106 149 I CA 1.025 62.283 61.300 -0.071 0.000 1.411 149 I CB -0.196 37.694 38.000 -0.183 0.000 1.082 149 I HN 0.199 nan 8.210 nan 0.000 0.420 150 Q N 0.328 120.081 119.800 -0.078 0.000 2.226 150 Q HA -0.253 4.086 4.340 -0.001 0.000 0.204 150 Q C 1.999 177.955 176.000 -0.073 0.000 0.975 150 Q CA 1.499 57.274 55.803 -0.046 0.000 0.866 150 Q CB -0.104 28.623 28.738 -0.019 0.000 0.915 150 Q HN 0.524 nan 8.270 nan 0.000 0.440 151 E N 0.888 120.991 120.200 -0.163 0.000 2.021 151 E HA -0.207 4.142 4.350 -0.001 0.000 0.189 151 E C 1.776 177.986 176.600 -0.651 0.000 0.980 151 E CA 0.745 56.907 56.400 -0.397 0.000 0.803 151 E CB 0.131 29.577 29.700 -0.424 0.000 0.766 151 E HN 0.094 nan 8.360 nan 0.000 0.449 152 E N 0.724 120.690 120.200 -0.390 0.000 2.171 152 E HA -0.176 4.173 4.350 -0.001 0.000 0.197 152 E C 1.638 178.343 176.600 0.175 0.000 0.997 152 E CA 1.443 57.761 56.400 -0.137 0.000 0.810 152 E CB -0.346 29.446 29.700 0.154 0.000 0.738 152 E HN 0.377 nan 8.360 nan 0.000 0.467 153 A N -0.072 122.901 122.820 0.255 0.000 1.873 153 A HA -0.031 4.288 4.320 -0.001 0.000 0.215 153 A C 2.506 180.256 177.584 0.277 0.000 1.186 153 A CA 1.788 54.078 52.037 0.422 0.000 0.616 153 A CB -1.307 17.898 19.000 0.342 0.000 0.823 153 A HN 0.400 nan 8.150 nan 0.000 0.442 154 G N -1.035 107.852 108.800 0.144 0.000 2.469 154 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.219 154 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.219 154 G C 1.469 176.589 174.900 0.367 0.000 1.150 154 G CA 1.002 46.217 45.100 0.191 0.000 0.763 154 G HN 0.550 nan 8.290 nan 0.000 0.561 155 F N -0.024 120.014 119.950 0.147 0.000 2.307 155 F HA 0.023 4.550 4.527 -0.001 0.000 0.301 155 F C 2.374 178.358 175.800 0.307 0.000 1.076 155 F CA 0.180 58.243 58.000 0.105 0.000 1.383 155 F CB 0.009 38.971 39.000 -0.063 0.000 1.055 155 F HN 0.154 nan 8.300 nan 0.000 0.526 156 L N -0.423 121.118 121.223 0.530 0.000 2.298 156 L HA -0.084 4.255 4.340 -0.001 0.000 0.209 156 L C 2.213 179.279 176.870 0.326 0.000 1.084 156 L CA 0.382 55.480 54.840 0.429 0.000 0.816 156 L CB -0.160 42.068 42.059 0.281 0.000 0.967 156 L HN -0.059 nan 8.230 nan 0.000 0.460 157 I N 1.542 122.305 120.570 0.322 0.000 2.127 157 I HA -0.285 3.884 4.170 -0.001 0.000 0.241 157 I C 2.216 178.557 176.117 0.373 0.000 1.075 157 I CA 1.856 63.371 61.300 0.359 0.000 1.334 157 I CB -1.314 36.816 38.000 0.217 0.000 1.040 157 I HN 0.490 nan 8.210 nan 0.000 0.405 158 D N 1.398 121.959 120.400 0.267 0.000 2.218 158 D HA -0.131 4.508 4.640 -0.001 0.000 0.204 158 D C 1.991 178.422 176.300 0.218 0.000 0.976 158 D CA 1.296 55.423 54.000 0.212 0.000 0.853 158 D CB -0.520 40.370 40.800 0.150 0.000 0.939 158 D HN 0.285 nan 8.370 nan 0.000 0.481 159 A N 0.687 123.666 122.820 0.265 0.000 1.865 159 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 159 A C 2.112 179.842 177.584 0.244 0.000 1.191 159 A CA 1.343 53.551 52.037 0.286 0.000 0.623 159 A CB -0.778 18.437 19.000 0.359 0.000 0.826 159 A HN 0.227 nan 8.150 nan 0.000 0.444 160 L N -0.312 120.972 121.223 0.101 0.000 2.275 160 L HA -0.053 4.287 4.340 -0.001 0.000 0.215 160 L C 2.487 179.310 176.870 -0.078 0.000 1.119 160 L CA 1.422 56.108 54.840 -0.258 0.000 0.790 160 L CB -0.874 40.547 42.059 -1.063 0.000 0.919 160 L HN 0.346 nan 8.230 nan 0.000 0.443 161 R N -0.849 119.775 120.500 0.207 0.000 2.093 161 R HA 0.038 4.378 4.340 -0.001 0.000 0.224 161 R C 2.029 178.266 176.300 -0.104 0.000 1.101 161 R CA 0.916 57.120 56.100 0.174 0.000 0.979 161 R CB -0.558 29.858 30.300 0.194 0.000 0.877 161 R HN 0.402 nan 8.270 nan 0.000 0.441 162 G N 0.338 109.125 108.800 -0.022 0.000 2.882 162 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.206 162 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.206 162 G C 1.124 176.020 174.900 -0.007 0.000 1.155 162 G CA 1.009 46.078 45.100 -0.051 0.000 0.800 162 G HN 0.417 nan 8.290 nan 0.000 0.524 163 T N -4.205 110.334 114.554 -0.025 0.000 2.990 163 T HA 0.123 4.472 4.350 -0.001 0.000 0.249 163 T C 1.034 175.833 174.700 0.166 0.000 1.039 163 T CA 0.396 62.553 62.100 0.095 0.000 1.036 163 T CB -0.127 68.766 68.868 0.042 0.000 0.994 163 T HN 0.412 nan 8.240 nan 0.000 0.489 164 H N 1.181 120.307 119.070 0.092 0.000 2.862 164 H HA -0.034 4.522 4.556 0.000 0.000 0.290 164 H C 1.275 176.649 175.328 0.077 0.000 1.211 164 H CA 0.770 56.873 56.048 0.092 0.000 1.140 164 H CB -1.907 27.898 29.762 0.072 0.000 1.341 164 H HN 0.884 nan 8.280 nan 0.000 0.392 165 G N -1.596 107.282 108.800 0.130 0.000 2.160 165 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.251 165 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.251 165 G C 0.445 175.377 174.900 0.054 0.000 1.008 165 G CA 0.283 45.439 45.100 0.093 0.000 0.724 165 G HN 1.232 nan 8.290 nan 0.000 0.514 166 A N -0.211 122.642 122.820 0.055 0.000 2.340 166 A HA 0.630 4.949 4.320 -0.001 0.000 0.268 166 A C 0.628 178.197 177.584 -0.025 0.000 1.100 166 A CA -0.482 51.572 52.037 0.027 0.000 0.803 166 A CB 0.361 19.392 19.000 0.052 0.000 1.043 166 A HN 0.353 nan 8.150 nan 0.000 0.488 167 N N 0.901 119.581 118.700 -0.034 0.000 2.440 167 N HA 0.288 5.027 4.740 -0.001 0.000 0.265 167 N C -0.240 175.226 175.510 -0.073 0.000 1.239 167 N CA 0.712 53.722 53.050 -0.066 0.000 0.909 167 N CB 0.197 38.655 38.487 -0.048 0.000 1.066 167 N HN 0.682 nan 8.380 nan 0.000 0.474 168 I N -1.940 118.556 120.570 -0.123 0.000 3.191 168 I HA 0.453 4.622 4.170 -0.001 0.000 0.313 168 I C -0.755 175.260 176.117 -0.170 0.000 1.193 168 I CA -1.117 60.105 61.300 -0.131 0.000 0.968 168 I CB 2.345 40.227 38.000 -0.196 0.000 1.262 168 I HN 0.040 nan 8.210 nan 0.000 0.456 169 D N 4.771 125.091 120.400 -0.134 0.000 2.380 169 D HA 0.314 4.953 4.640 -0.001 0.000 0.230 169 D C -1.561 174.630 176.300 -0.182 0.000 1.154 169 D CA -2.362 51.531 54.000 -0.179 0.000 0.859 169 D CB 1.479 42.229 40.800 -0.083 0.000 1.045 169 D HN 0.411 nan 8.370 nan 0.000 0.495 170 P HA -0.097 nan 4.420 nan 0.000 0.230 170 P C 1.069 178.277 177.300 -0.153 0.000 1.158 170 P CA 0.487 63.487 63.100 -0.167 0.000 0.769 170 P CB 0.398 32.031 31.700 -0.111 0.000 0.807 171 T N 0.473 114.872 114.554 -0.260 0.000 2.555 171 T HA -0.151 4.199 4.350 -0.001 0.000 0.264 171 T C 1.449 175.917 174.700 -0.386 0.000 1.083 171 T CA 1.579 63.444 62.100 -0.391 0.000 1.179 171 T CB -1.026 67.499 68.868 -0.573 0.000 0.863 171 T HN 0.089 nan 8.240 nan 0.000 0.412 172 F N -0.140 119.771 119.950 -0.065 0.000 2.502 172 F HA 0.176 4.703 4.527 -0.001 0.000 0.298 172 F C 1.791 177.492 175.800 -0.165 0.000 1.111 172 F CA 0.143 58.055 58.000 -0.147 0.000 1.445 172 F CB -0.507 38.378 39.000 -0.191 0.000 1.081 172 F HN 0.063 nan 8.300 nan 0.000 0.558 173 F N 0.199 120.076 119.950 -0.122 0.000 2.060 173 F HA -0.173 4.353 4.527 -0.002 0.000 0.295 173 F C 2.202 177.844 175.800 -0.263 0.000 1.120 173 F CA 1.279 59.156 58.000 -0.205 0.000 1.205 173 F CB -1.066 37.839 39.000 -0.158 0.000 0.986 173 F HN -0.172 nan 8.300 nan 0.000 0.470 174 L N -0.241 120.952 121.223 -0.051 0.000 1.970 174 L HA -0.281 4.059 4.340 -0.001 0.000 0.212 174 L C 2.622 179.349 176.870 -0.238 0.000 1.071 174 L CA 1.935 56.648 54.840 -0.212 0.000 0.751 174 L CB -1.227 40.661 42.059 -0.285 0.000 0.889 174 L HN 0.240 nan 8.230 nan 0.000 0.432 175 S N -0.660 114.901 115.700 -0.231 0.000 2.442 175 S HA -0.227 4.242 4.470 -0.001 0.000 0.236 175 S C 2.011 176.524 174.600 -0.144 0.000 1.007 175 S CA 1.042 59.115 58.200 -0.213 0.000 0.965 175 S CB -0.406 62.622 63.200 -0.287 0.000 0.773 175 S HN 0.359 nan 8.310 nan 0.000 0.504 176 R N 0.984 121.390 120.500 -0.157 0.000 2.055 176 R HA -0.031 4.309 4.340 -0.001 0.000 0.226 176 R C 2.267 178.677 176.300 0.183 0.000 1.135 176 R CA 1.739 57.811 56.100 -0.047 0.000 0.959 176 R CB -0.811 29.321 30.300 -0.279 0.000 0.854 176 R HN 0.476 nan 8.270 nan 0.000 0.431 177 T N 0.810 115.349 114.554 -0.024 0.000 2.595 177 T HA -0.157 4.193 4.350 -0.001 0.000 0.264 177 T C 1.895 176.666 174.700 0.117 0.000 1.058 177 T CA 1.751 63.909 62.100 0.097 0.000 1.166 177 T CB -0.452 68.331 68.868 -0.141 0.000 0.863 177 T HN 0.013 nan 8.240 nan 0.000 0.415 178 V N 1.360 121.213 119.914 -0.101 0.000 2.277 178 V HA -0.237 3.883 4.120 -0.001 0.000 0.253 178 V C 2.717 178.943 176.094 0.220 0.000 1.067 178 V CA 2.297 64.613 62.300 0.027 0.000 1.047 178 V CB -0.892 30.888 31.823 -0.072 0.000 0.649 178 V HN 0.549 nan 8.190 nan 0.000 0.447 179 S N -0.576 115.277 115.700 0.256 0.000 2.447 179 S HA -0.164 4.305 4.470 -0.001 0.000 0.233 179 S C 1.840 176.767 174.600 0.545 0.000 1.006 179 S CA 1.223 59.679 58.200 0.426 0.000 0.957 179 S CB -0.504 62.993 63.200 0.496 0.000 0.773 179 S HN 0.653 nan 8.310 nan 0.000 0.507 180 N N 1.230 120.218 118.700 0.481 0.000 2.166 180 N HA -0.067 4.673 4.740 -0.001 0.000 0.186 180 N C 1.706 177.395 175.510 0.299 0.000 1.019 180 N CA 1.260 54.542 53.050 0.387 0.000 0.856 180 N CB -0.653 38.045 38.487 0.351 0.000 0.993 180 N HN 0.274 nan 8.380 nan 0.000 0.426 181 V N 1.719 121.809 119.914 0.294 0.000 2.214 181 V HA -0.228 3.891 4.120 -0.001 0.000 0.244 181 V C 2.338 178.543 176.094 0.184 0.000 1.045 181 V CA 1.548 63.980 62.300 0.221 0.000 0.993 181 V CB -0.648 31.320 31.823 0.243 0.000 0.633 181 V HN 0.179 nan 8.190 nan 0.000 0.449 182 I N 0.074 120.772 120.570 0.213 0.000 2.399 182 I HA -0.223 3.947 4.170 -0.001 0.000 0.254 182 I C 2.413 178.612 176.117 0.137 0.000 1.146 182 I CA 1.678 63.075 61.300 0.161 0.000 1.412 182 I CB -0.314 37.809 38.000 0.205 0.000 1.076 182 I HN 0.261 nan 8.210 nan 0.000 0.432 183 S N -0.228 115.651 115.700 0.299 0.000 2.383 183 S HA -0.155 4.315 4.470 -0.001 0.000 0.227 183 S C 2.107 176.808 174.600 0.169 0.000 1.026 183 S CA 1.451 59.889 58.200 0.396 0.000 0.981 183 S CB -0.310 63.263 63.200 0.621 0.000 0.818 183 S HN 0.570 nan 8.310 nan 0.000 0.472 184 S N 1.706 117.463 115.700 0.095 0.000 2.359 184 S HA -0.055 4.415 4.470 -0.001 0.000 0.224 184 S C 1.798 176.349 174.600 -0.082 0.000 1.035 184 S CA 1.261 59.466 58.200 0.008 0.000 1.018 184 S CB -0.425 62.791 63.200 0.027 0.000 0.876 184 S HN 0.434 nan 8.310 nan 0.000 0.448 185 I N 1.325 121.832 120.570 -0.104 0.000 2.202 185 I HA -0.123 4.046 4.170 -0.001 0.000 0.242 185 I C 2.449 178.350 176.117 -0.360 0.000 1.091 185 I CA 1.236 62.389 61.300 -0.245 0.000 1.368 185 I CB -0.485 37.448 38.000 -0.111 0.000 1.058 185 I HN 0.285 nan 8.210 nan 0.000 0.410 186 V N -2.398 117.325 119.914 -0.317 0.000 2.951 186 V HA -0.028 4.092 4.120 -0.001 0.000 0.255 186 V C 1.874 177.684 176.094 -0.473 0.000 1.088 186 V CA 1.187 63.236 62.300 -0.419 0.000 1.109 186 V CB -0.452 30.966 31.823 -0.675 0.000 0.724 186 V HN 0.210 nan 8.190 nan 0.000 0.471 187 F N 1.681 121.557 119.950 -0.123 0.000 2.678 187 F HA 0.665 5.191 4.527 -0.001 0.000 0.291 187 F C 2.065 177.766 175.800 -0.165 0.000 1.123 187 F CA 0.231 58.138 58.000 -0.155 0.000 1.395 187 F CB 0.048 38.903 39.000 -0.241 0.000 1.121 187 F HN 0.370 nan 8.300 nan 0.000 0.592 188 G N 0.463 109.240 108.800 -0.039 0.000 2.141 188 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.231 188 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.231 188 G C -0.520 174.348 174.900 -0.054 0.000 0.984 188 G CA 0.111 45.171 45.100 -0.067 0.000 0.660 188 G HN 0.367 nan 8.290 nan 0.000 0.525 189 D N -1.453 118.906 120.400 -0.069 0.000 2.886 189 D HA 0.218 4.857 4.640 -0.001 0.000 0.248 189 D C 0.665 176.853 176.300 -0.186 0.000 1.023 189 D CA -0.046 53.894 54.000 -0.100 0.000 0.786 189 D CB 0.244 40.975 40.800 -0.116 0.000 2.699 189 D HN 0.611 nan 8.370 nan 0.000 0.465 190 R N 0.676 121.104 120.500 -0.121 0.000 2.919 190 R HA 0.503 4.842 4.340 -0.001 0.000 0.284 190 R C -0.248 175.822 176.300 -0.383 0.000 1.104 190 R CA -0.033 55.990 56.100 -0.127 0.000 1.207 190 R CB 0.201 30.522 30.300 0.035 0.000 1.162 190 R HN 0.203 nan 8.270 nan 0.000 0.561 191 F N -1.407 118.336 119.950 -0.346 0.000 2.523 191 F HA 0.209 4.735 4.527 -0.001 0.000 0.329 191 F C 0.086 175.704 175.800 -0.304 0.000 1.061 191 F CA -0.775 56.911 58.000 -0.523 0.000 0.967 191 F CB 1.542 39.707 39.000 -1.393 0.000 1.218 191 F HN 0.607 nan 8.300 nan 0.000 0.480 192 D N 0.224 120.634 120.400 0.016 0.000 2.264 192 D HA 0.121 4.760 4.640 -0.001 0.000 0.250 192 D C 0.797 177.239 176.300 0.236 0.000 1.113 192 D CA 0.048 54.071 54.000 0.038 0.000 0.871 192 D CB 0.499 41.298 40.800 -0.002 0.000 1.167 192 D HN 0.532 nan 8.370 nan 0.000 0.447 193 Y N 1.580 121.923 120.300 0.073 0.000 2.173 193 Y HA -0.246 4.303 4.550 -0.001 0.000 0.282 193 Y C 1.731 177.658 175.900 0.045 0.000 1.192 193 Y CA 0.692 58.846 58.100 0.091 0.000 1.176 193 Y CB 0.150 38.606 38.460 -0.007 0.000 0.969 193 Y HN 0.574 nan 8.280 nan 0.000 0.519 194 E N 0.054 120.358 120.200 0.174 0.000 2.481 194 E HA -0.104 4.246 4.350 -0.001 0.000 0.195 194 E C 0.391 177.036 176.600 0.074 0.000 1.047 194 E CA -0.172 56.273 56.400 0.075 0.000 0.867 194 E CB -0.062 29.658 29.700 0.034 0.000 0.858 194 E HN 0.256 nan 8.360 nan 0.000 0.513 195 D N 1.642 122.124 120.400 0.137 0.000 2.533 195 D HA -0.094 4.545 4.640 -0.001 0.000 0.236 195 D C 0.872 177.228 176.300 0.093 0.000 1.137 195 D CA 0.555 54.637 54.000 0.137 0.000 0.867 195 D CB 0.859 41.796 40.800 0.227 0.000 1.170 195 D HN -0.060 nan 8.370 nan 0.000 0.474 196 K N 3.577 123.996 120.400 0.031 0.000 1.995 196 K HA -0.126 4.193 4.320 -0.001 0.000 0.207 196 K C 1.758 178.321 176.600 -0.062 0.000 1.041 196 K CA 0.502 56.768 56.287 -0.034 0.000 0.942 196 K CB -0.233 32.245 32.500 -0.036 0.000 0.731 196 K HN 0.576 nan 8.250 nan 0.000 0.439 197 E N 0.669 120.848 120.200 -0.035 0.000 2.147 197 E HA -0.242 4.107 4.350 -0.001 0.000 0.199 197 E C 1.910 178.407 176.600 -0.171 0.000 1.005 197 E CA 1.094 57.442 56.400 -0.088 0.000 0.810 197 E CB -0.164 29.520 29.700 -0.027 0.000 0.736 197 E HN 0.179 nan 8.360 nan 0.000 0.460 198 F N 1.199 120.954 119.950 -0.326 0.000 2.095 198 F HA -0.216 4.310 4.527 -0.001 0.000 0.298 198 F C 2.008 177.570 175.800 -0.397 0.000 1.104 198 F CA 1.531 59.206 58.000 -0.542 0.000 1.232 198 F CB -0.751 37.991 39.000 -0.430 0.000 0.987 198 F HN 0.167 nan 8.300 nan 0.000 0.475 199 L N -0.273 120.717 121.223 -0.388 0.000 2.017 199 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 199 L C 2.712 179.323 176.870 -0.432 0.000 1.073 199 L CA 2.211 56.742 54.840 -0.516 0.000 0.745 199 L CB -1.453 40.338 42.059 -0.447 0.000 0.894 199 L HN 0.265 nan 8.230 nan 0.000 0.432 200 S N -0.575 114.935 115.700 -0.316 0.000 2.389 200 S HA -0.275 4.194 4.470 -0.001 0.000 0.229 200 S C 2.066 176.509 174.600 -0.262 0.000 1.048 200 S CA 2.244 60.293 58.200 -0.251 0.000 1.117 200 S CB -0.622 62.465 63.200 -0.189 0.000 1.020 200 S HN 0.491 nan 8.310 nan 0.000 0.430 201 L N 0.982 122.016 121.223 -0.315 0.000 2.043 201 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 201 L C 2.496 179.172 176.870 -0.323 0.000 1.075 201 L CA 1.380 56.039 54.840 -0.302 0.000 0.752 201 L CB -0.648 41.206 42.059 -0.343 0.000 0.891 201 L HN 0.394 nan 8.230 nan 0.000 0.432 202 L N -0.808 120.177 121.223 -0.398 0.000 2.141 202 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 202 L C 2.798 179.600 176.870 -0.114 0.000 1.094 202 L CA 1.114 55.756 54.840 -0.331 0.000 0.763 202 L CB -0.503 41.341 42.059 -0.359 0.000 0.908 202 L HN 0.269 nan 8.230 nan 0.000 0.437 203 R N -0.490 119.948 120.500 -0.103 0.000 2.115 203 R HA -0.075 4.264 4.340 -0.001 0.000 0.226 203 R C 2.272 178.535 176.300 -0.062 0.000 1.100 203 R CA 1.076 57.169 56.100 -0.011 0.000 0.980 203 R CB -0.168 30.065 30.300 -0.112 0.000 0.875 203 R HN 0.371 nan 8.270 nan 0.000 0.445 204 M N -0.155 119.368 119.600 -0.128 0.000 2.132 204 M HA -0.134 4.345 4.480 -0.001 0.000 0.263 204 M C 2.280 178.496 176.300 -0.140 0.000 1.065 204 M CA 1.744 56.978 55.300 -0.110 0.000 1.122 204 M CB -0.101 32.437 32.600 -0.104 0.000 1.365 204 M HN 0.124 nan 8.290 nan 0.000 0.411 205 M N -0.413 118.988 119.600 -0.332 0.000 2.175 205 M HA -0.172 4.308 4.480 -0.001 0.000 0.264 205 M C 2.139 178.349 176.300 -0.150 0.000 1.063 205 M CA 1.207 56.139 55.300 -0.614 0.000 1.119 205 M CB -0.411 31.567 32.600 -1.037 0.000 1.377 205 M HN 0.247 nan 8.290 nan 0.000 0.415 206 L N 0.285 121.455 121.223 -0.089 0.000 2.156 206 L HA 0.048 4.388 4.340 -0.001 0.000 0.208 206 L C 2.184 179.130 176.870 0.126 0.000 1.095 206 L CA 1.674 56.540 54.840 0.042 0.000 0.770 206 L CB -0.926 41.097 42.059 -0.059 0.000 0.914 206 L HN 0.190 nan 8.230 nan 0.000 0.439 207 G N -1.203 107.642 108.800 0.075 0.000 2.394 207 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.214 207 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.214 207 G C 1.603 176.569 174.900 0.110 0.000 1.176 207 G CA 0.841 45.979 45.100 0.063 0.000 0.786 207 G HN 0.543 nan 8.290 nan 0.000 0.533 208 S N 0.233 116.025 115.700 0.152 0.000 2.387 208 S HA -0.033 4.436 4.470 -0.001 0.000 0.226 208 S C 2.146 176.955 174.600 0.348 0.000 1.026 208 S CA 1.146 59.456 58.200 0.183 0.000 0.972 208 S CB -0.520 62.810 63.200 0.217 0.000 0.814 208 S HN 0.229 nan 8.310 nan 0.000 0.477 209 F N 2.553 122.724 119.950 0.367 0.000 2.075 209 F HA -0.057 4.469 4.527 -0.001 0.000 0.297 209 F C 2.783 178.719 175.800 0.228 0.000 1.113 209 F CA 1.983 60.230 58.000 0.411 0.000 1.218 209 F CB -0.949 38.337 39.000 0.476 0.000 0.984 209 F HN 0.285 nan 8.300 nan 0.000 0.472 210 Q N -0.826 119.057 119.800 0.138 0.000 2.181 210 Q HA -0.263 4.076 4.340 -0.001 0.000 0.205 210 Q C 2.271 178.200 176.000 -0.117 0.000 0.980 210 Q CA 1.914 57.687 55.803 -0.050 0.000 0.862 210 Q CB -0.604 28.171 28.738 0.060 0.000 0.905 210 Q HN 0.503 nan 8.270 nan 0.000 0.429 211 F N 1.044 120.899 119.950 -0.157 0.000 2.126 211 F HA -0.207 4.319 4.527 -0.001 0.000 0.299 211 F C 2.199 177.861 175.800 -0.230 0.000 1.096 211 F CA 2.024 59.889 58.000 -0.226 0.000 1.255 211 F CB -0.763 38.088 39.000 -0.249 0.000 0.997 211 F HN 0.187 nan 8.300 nan 0.000 0.479 212 T N -1.903 112.400 114.554 -0.418 0.000 3.051 212 T HA 0.073 4.423 4.350 -0.001 0.000 0.269 212 T C 1.705 176.217 174.700 -0.314 0.000 1.127 212 T CA 0.716 62.561 62.100 -0.426 0.000 1.107 212 T CB -0.690 68.101 68.868 -0.128 0.000 0.898 212 T HN 0.304 nan 8.240 nan 0.000 0.517 213 A N 1.383 123.998 122.820 -0.342 0.000 2.308 213 A HA 0.365 4.685 4.320 -0.001 0.000 0.217 213 A C 1.409 178.814 177.584 -0.299 0.000 1.216 213 A CA 0.258 52.143 52.037 -0.254 0.000 0.864 213 A CB -0.358 18.509 19.000 -0.221 0.000 0.902 213 A HN 0.666 nan 8.150 nan 0.000 0.499 214 T N -2.406 111.859 114.554 -0.482 0.000 2.874 214 T HA 0.368 4.717 4.350 -0.001 0.000 0.281 214 T C 1.386 175.904 174.700 -0.302 0.000 0.994 214 T CA 0.189 62.002 62.100 -0.480 0.000 1.015 214 T CB 1.306 69.855 68.868 -0.530 0.000 1.028 214 T HN 0.442 nan 8.240 nan 0.000 0.523 215 S N 0.949 116.549 115.700 -0.167 0.000 2.370 215 S HA -0.172 4.297 4.470 -0.001 0.000 0.226 215 S C 1.911 176.469 174.600 -0.070 0.000 1.033 215 S CA 1.611 59.769 58.200 -0.070 0.000 1.011 215 S CB -1.595 61.600 63.200 -0.007 0.000 0.852 215 S HN 0.812 nan 8.310 nan 0.000 0.457 216 T N 1.600 116.093 114.554 -0.101 0.000 2.904 216 T HA 0.117 4.467 4.350 -0.001 0.000 0.267 216 T C 2.002 176.605 174.700 -0.161 0.000 1.059 216 T CA 1.130 63.211 62.100 -0.033 0.000 1.137 216 T CB -0.914 67.989 68.868 0.060 0.000 0.879 216 T HN 0.642 nan 8.240 nan 0.000 0.467 217 G N 1.057 109.502 108.800 -0.592 0.000 2.402 217 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.216 217 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.216 217 G C 1.617 176.342 174.900 -0.292 0.000 1.162 217 G CA 0.405 44.949 45.100 -0.928 0.000 0.777 217 G HN 0.327 nan 8.290 nan 0.000 0.539 218 Q N -0.370 119.322 119.800 -0.180 0.000 2.230 218 Q HA 0.080 4.420 4.340 -0.001 0.000 0.202 218 Q C 2.500 178.503 176.000 0.005 0.000 0.963 218 Q CA 0.462 56.235 55.803 -0.050 0.000 0.866 218 Q CB -0.367 28.363 28.738 -0.013 0.000 0.931 218 Q HN 0.486 nan 8.270 nan 0.000 0.452 219 L N -0.400 120.853 121.223 0.051 0.000 2.141 219 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 219 L C 2.153 179.100 176.870 0.129 0.000 1.094 219 L CA 1.427 56.353 54.840 0.142 0.000 0.763 219 L CB -0.558 41.618 42.059 0.195 0.000 0.908 219 L HN 0.148 nan 8.230 nan 0.000 0.437 220 Y N 0.036 120.352 120.300 0.026 0.000 2.224 220 Y HA -0.202 4.348 4.550 -0.001 0.000 0.289 220 Y C 2.347 178.248 175.900 0.002 0.000 1.146 220 Y CA 1.604 59.738 58.100 0.056 0.000 1.182 220 Y CB 0.125 38.631 38.460 0.077 0.000 0.983 220 Y HN 0.224 nan 8.280 nan 0.000 0.524 221 E N -0.019 120.121 120.200 -0.100 0.000 2.267 221 E HA -0.206 4.143 4.350 -0.001 0.000 0.197 221 E C 1.848 178.281 176.600 -0.279 0.000 0.998 221 E CA 1.550 57.856 56.400 -0.156 0.000 0.830 221 E CB -0.200 29.473 29.700 -0.045 0.000 0.751 221 E HN 0.666 nan 8.360 nan 0.000 0.491 222 M N -1.783 117.567 119.600 -0.416 0.000 2.545 222 M HA 0.104 4.584 4.480 -0.001 0.000 0.264 222 M C 0.550 176.243 176.300 -1.011 0.000 1.155 222 M CA 0.561 55.382 55.300 -0.798 0.000 1.162 222 M CB 0.427 32.310 32.600 -1.194 0.000 1.330 222 M HN -0.066 nan 8.290 nan 0.000 0.479 223 F N -0.531 119.279 119.950 -0.233 0.000 2.814 223 F HA 0.227 4.754 4.527 -0.001 0.000 0.326 223 F C 1.853 177.545 175.800 -0.181 0.000 1.159 223 F CA -0.473 57.431 58.000 -0.160 0.000 1.234 223 F CB -0.137 38.814 39.000 -0.081 0.000 1.016 223 F HN 0.056 nan 8.300 nan 0.000 0.510 224 S N -0.370 115.118 115.700 -0.353 0.000 2.387 224 S HA -0.282 4.187 4.470 -0.001 0.000 0.230 224 S C 2.252 176.829 174.600 -0.039 0.000 1.035 224 S CA 1.667 59.520 58.200 -0.578 0.000 1.014 224 S CB -0.954 61.733 63.200 -0.855 0.000 0.836 224 S HN 0.479 nan 8.310 nan 0.000 0.466 225 S N 1.169 116.906 115.700 0.061 0.000 2.420 225 S HA -0.084 4.385 4.470 -0.001 0.000 0.237 225 S C 1.677 176.435 174.600 0.265 0.000 1.023 225 S CA 1.266 59.574 58.200 0.180 0.000 0.991 225 S CB -0.768 62.569 63.200 0.228 0.000 0.792 225 S HN 0.462 nan 8.310 nan 0.000 0.488 226 V N 0.916 120.992 119.914 0.269 0.000 2.806 226 V HA 0.211 4.330 4.120 -0.001 0.000 0.239 226 V C 2.360 178.607 176.094 0.254 0.000 1.113 226 V CA 1.021 63.489 62.300 0.281 0.000 1.137 226 V CB -0.495 31.465 31.823 0.228 0.000 0.865 226 V HN 0.369 nan 8.190 nan 0.000 0.482 227 M N 0.956 120.699 119.600 0.239 0.000 2.358 227 M HA -0.190 4.289 4.480 -0.001 0.000 0.264 227 M C 2.127 178.619 176.300 0.320 0.000 1.064 227 M CA 1.740 57.207 55.300 0.279 0.000 1.093 227 M CB -0.423 32.403 32.600 0.376 0.000 1.401 227 M HN 0.427 nan 8.290 nan 0.000 0.440 228 K N -0.573 120.022 120.400 0.325 0.000 2.283 228 K HA -0.138 4.181 4.320 -0.001 0.000 0.202 228 K C 0.946 177.569 176.600 0.039 0.000 1.048 228 K CA 1.209 57.675 56.287 0.297 0.000 0.948 228 K CB -0.296 32.302 32.500 0.163 0.000 0.742 228 K HN 0.452 nan 8.250 nan 0.000 0.458 229 H N 0.321 119.542 119.070 0.253 0.000 2.517 229 H HA 0.301 4.856 4.556 -0.001 0.000 0.282 229 H C -0.010 175.393 175.328 0.125 0.000 1.023 229 H CA -0.009 56.142 56.048 0.171 0.000 1.169 229 H CB 0.111 29.948 29.762 0.124 0.000 1.454 229 H HN 0.112 nan 8.280 nan 0.000 0.556 230 L N 1.227 122.560 121.223 0.183 0.000 2.341 230 L HA 0.409 4.748 4.340 -0.001 0.000 0.267 230 L C -2.366 174.534 176.870 0.050 0.000 1.009 230 L CA -2.269 52.638 54.840 0.111 0.000 0.819 230 L CB 2.133 44.251 42.059 0.099 0.000 1.323 230 L HN -0.158 nan 8.230 nan 0.000 0.425 231 P HA 0.389 nan 4.420 nan 0.000 0.271 231 P C -0.269 177.000 177.300 -0.052 0.000 1.216 231 P CA -0.009 63.078 63.100 -0.022 0.000 0.776 231 P CB 0.986 32.679 31.700 -0.012 0.000 0.881 232 G N 2.448 111.182 108.800 -0.110 0.000 2.337 232 G HA2 0.119 4.078 3.960 -0.001 0.000 0.298 232 G HA3 0.119 4.078 3.960 -0.001 0.000 0.298 232 G C -2.701 172.052 174.900 -0.245 0.000 1.335 232 G CA -0.782 44.242 45.100 -0.128 0.000 0.875 232 G HN 0.118 nan 8.290 nan 0.000 0.579 233 P HA -0.119 nan 4.420 nan 0.000 0.219 233 P C 2.022 178.782 177.300 -0.900 0.000 1.146 233 P CA 1.862 64.743 63.100 -0.365 0.000 0.808 233 P CB 0.171 31.823 31.700 -0.081 0.000 0.779 234 Q N -0.263 118.958 119.800 -0.966 0.000 2.124 234 Q HA -0.208 4.131 4.340 -0.001 0.000 0.202 234 Q C 1.717 176.599 176.000 -1.863 0.000 0.977 234 Q CA 1.428 56.228 55.803 -1.671 0.000 0.850 234 Q CB -1.213 26.762 28.738 -1.271 0.000 0.901 234 Q HN 0.301 nan 8.270 nan 0.000 0.429 235 Q N 0.767 119.916 119.800 -1.085 0.000 2.124 235 Q HA -0.174 4.166 4.340 -0.001 0.000 0.202 235 Q C 2.028 177.678 176.000 -0.583 0.000 0.977 235 Q CA 1.930 57.314 55.803 -0.699 0.000 0.850 235 Q CB -0.250 28.319 28.738 -0.283 0.000 0.901 235 Q HN 0.536 nan 8.270 nan 0.000 0.429 236 Q N 0.515 119.966 119.800 -0.582 0.000 2.123 236 Q HA -0.004 4.335 4.340 -0.001 0.000 0.199 236 Q C 1.808 177.521 176.000 -0.479 0.000 0.966 236 Q CA 1.641 57.193 55.803 -0.420 0.000 0.845 236 Q CB -0.346 28.184 28.738 -0.345 0.000 0.907 236 Q HN 0.293 nan 8.270 nan 0.000 0.439 237 A N -0.427 121.915 122.820 -0.795 0.000 1.969 237 A HA -0.071 4.249 4.320 -0.001 0.000 0.218 237 A C 1.670 178.967 177.584 -0.479 0.000 1.169 237 A CA 1.139 52.757 52.037 -0.698 0.000 0.635 237 A CB -0.730 17.575 19.000 -1.158 0.000 0.810 237 A HN 0.426 nan 8.150 nan 0.000 0.445 238 F N 0.890 120.392 119.950 -0.747 0.000 2.051 238 F HA -0.155 4.372 4.527 -0.001 0.000 0.296 238 F C 2.421 177.989 175.800 -0.386 0.000 1.122 238 F CA 1.413 58.850 58.000 -0.938 0.000 1.201 238 F CB -0.991 37.120 39.000 -1.483 0.000 0.978 238 F HN 0.431 nan 8.300 nan 0.000 0.472 239 K N 0.651 121.015 120.400 -0.061 0.000 2.152 239 K HA -0.210 4.110 4.320 -0.001 0.000 0.206 239 K C 1.627 178.241 176.600 0.024 0.000 1.048 239 K CA 2.004 58.304 56.287 0.023 0.000 0.933 239 K CB -0.544 31.947 32.500 -0.015 0.000 0.721 239 K HN 0.313 nan 8.250 nan 0.000 0.447 240 E N 1.016 121.197 120.200 -0.032 0.000 2.047 240 E HA -0.112 4.238 4.350 -0.001 0.000 0.191 240 E C 2.121 178.769 176.600 0.080 0.000 0.987 240 E CA 1.318 57.715 56.400 -0.004 0.000 0.799 240 E CB -0.121 29.552 29.700 -0.044 0.000 0.752 240 E HN 0.305 nan 8.360 nan 0.000 0.449 241 L N 0.666 121.966 121.223 0.128 0.000 2.093 241 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 241 L C 2.657 179.664 176.870 0.227 0.000 1.085 241 L CA 0.845 55.829 54.840 0.240 0.000 0.755 241 L CB -0.204 42.030 42.059 0.292 0.000 0.904 241 L HN 0.127 nan 8.230 nan 0.000 0.435 242 Q N 0.485 120.423 119.800 0.231 0.000 2.124 242 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 242 Q C 2.056 178.150 176.000 0.156 0.000 0.977 242 Q CA 1.878 57.808 55.803 0.212 0.000 0.850 242 Q CB -0.470 28.411 28.738 0.240 0.000 0.901 242 Q HN 0.399 nan 8.270 nan 0.000 0.429 243 G N -0.704 108.176 108.800 0.134 0.000 2.650 243 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.214 243 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.214 243 G C 1.126 176.127 174.900 0.169 0.000 1.136 243 G CA 0.331 45.503 45.100 0.120 0.000 0.789 243 G HN 0.363 nan 8.290 nan 0.000 0.536 244 L N -0.550 120.792 121.223 0.198 0.000 2.354 244 L HA 0.193 4.533 4.340 -0.001 0.000 0.212 244 L C 2.559 179.633 176.870 0.341 0.000 1.091 244 L CA 0.616 55.626 54.840 0.284 0.000 0.828 244 L CB 0.085 42.310 42.059 0.276 0.000 0.973 244 L HN 0.274 nan 8.230 nan 0.000 0.461 245 E N 0.123 120.465 120.200 0.237 0.000 2.190 245 E HA -0.176 4.174 4.350 -0.001 0.000 0.191 245 E C 1.278 177.977 176.600 0.165 0.000 0.978 245 E CA 0.632 57.139 56.400 0.179 0.000 0.839 245 E CB 0.306 30.055 29.700 0.082 0.000 0.787 245 E HN 0.338 nan 8.360 nan 0.000 0.473 246 D N 0.321 120.822 120.400 0.169 0.000 2.123 246 D HA -0.172 4.468 4.640 -0.001 0.000 0.196 246 D C 1.533 177.940 176.300 0.178 0.000 0.992 246 D CA 0.841 54.927 54.000 0.144 0.000 0.833 246 D CB -0.321 40.562 40.800 0.138 0.000 0.954 246 D HN 0.216 nan 8.370 nan 0.000 0.455 247 F N 1.025 121.032 119.950 0.094 0.000 2.146 247 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 247 F C 2.041 177.908 175.800 0.113 0.000 1.096 247 F CA 0.901 58.955 58.000 0.090 0.000 1.275 247 F CB -0.074 38.990 39.000 0.106 0.000 1.008 247 F HN -0.143 nan 8.300 nan 0.000 0.480 248 I N 0.770 121.407 120.570 0.111 0.000 2.252 248 I HA -0.216 3.953 4.170 -0.001 0.000 0.245 248 I C 2.731 178.846 176.117 -0.004 0.000 1.102 248 I CA 1.424 62.758 61.300 0.056 0.000 1.385 248 I CB -2.081 36.055 38.000 0.227 0.000 1.064 248 I HN 0.226 nan 8.210 nan 0.000 0.414 249 A N 0.524 123.362 122.820 0.031 0.000 2.024 249 A HA -0.218 4.101 4.320 -0.001 0.000 0.220 249 A C 2.379 179.959 177.584 -0.007 0.000 1.164 249 A CA 1.532 53.581 52.037 0.021 0.000 0.643 249 A CB -0.418 18.601 19.000 0.031 0.000 0.806 249 A HN 0.370 nan 8.150 nan 0.000 0.451 250 K N -0.537 119.831 120.400 -0.053 0.000 2.044 250 K HA -0.042 4.277 4.320 -0.001 0.000 0.204 250 K C 1.928 178.475 176.600 -0.088 0.000 1.049 250 K CA 0.945 57.194 56.287 -0.063 0.000 0.945 250 K CB -0.092 32.361 32.500 -0.078 0.000 0.724 250 K HN 0.209 nan 8.250 nan 0.000 0.440 251 K N 0.879 121.145 120.400 -0.223 0.000 2.074 251 K HA -0.141 4.179 4.320 -0.001 0.000 0.209 251 K C 2.168 178.786 176.600 0.030 0.000 1.048 251 K CA 1.147 57.334 56.287 -0.167 0.000 0.926 251 K CB -0.708 31.647 32.500 -0.241 0.000 0.713 251 K HN -0.003 nan 8.250 nan 0.000 0.444 252 V N 2.274 122.206 119.914 0.031 0.000 2.233 252 V HA -0.301 3.819 4.120 -0.001 0.000 0.247 252 V C 2.453 178.589 176.094 0.069 0.000 1.050 252 V CA 2.505 64.846 62.300 0.069 0.000 1.010 252 V CB -0.850 31.007 31.823 0.057 0.000 0.637 252 V HN 0.474 nan 8.190 nan 0.000 0.444 253 E N 0.024 120.255 120.200 0.053 0.000 2.204 253 E HA -0.273 4.077 4.350 -0.001 0.000 0.195 253 E C 2.075 178.705 176.600 0.051 0.000 0.990 253 E CA 1.848 58.274 56.400 0.044 0.000 0.821 253 E CB -0.656 29.064 29.700 0.034 0.000 0.750 253 E HN 0.807 nan 8.360 nan 0.000 0.477 254 H N 1.147 120.207 119.070 -0.016 0.000 2.284 254 H HA -0.007 4.548 4.556 -0.001 0.000 0.304 254 H C 1.306 176.633 175.328 -0.001 0.000 1.069 254 H CA 1.913 57.951 56.048 -0.017 0.000 1.327 254 H CB -0.198 29.541 29.762 -0.039 0.000 1.387 254 H HN 0.145 nan 8.280 nan 0.000 0.498 255 N N 0.814 119.569 118.700 0.092 0.000 2.137 255 N HA -0.195 4.545 4.740 -0.001 0.000 0.190 255 N C 2.171 177.656 175.510 -0.040 0.000 1.017 255 N CA 1.539 54.607 53.050 0.029 0.000 0.859 255 N CB -0.417 38.151 38.487 0.135 0.000 1.002 255 N HN 0.544 nan 8.380 nan 0.000 0.428 256 Q N 0.618 120.414 119.800 -0.006 0.000 2.096 256 Q HA -0.139 4.200 4.340 -0.001 0.000 0.204 256 Q C 1.995 177.971 176.000 -0.041 0.000 0.982 256 Q CA 1.344 57.145 55.803 -0.003 0.000 0.850 256 Q CB -0.013 28.737 28.738 0.020 0.000 0.901 256 Q HN 0.308 nan 8.270 nan 0.000 0.422 257 R N -0.692 119.760 120.500 -0.081 0.000 2.316 257 R HA -0.053 4.286 4.340 -0.001 0.000 0.202 257 R C 1.185 177.413 176.300 -0.120 0.000 1.029 257 R CA 1.520 57.567 56.100 -0.089 0.000 1.018 257 R CB 0.098 30.345 30.300 -0.089 0.000 0.888 257 R HN 0.150 nan 8.270 nan 0.000 0.471 258 T N -0.451 114.005 114.554 -0.162 0.000 3.091 258 T HA 0.176 4.525 4.350 -0.001 0.000 0.277 258 T C -0.000 174.656 174.700 -0.072 0.000 0.996 258 T CA -0.545 61.469 62.100 -0.144 0.000 0.897 258 T CB 0.023 68.741 68.868 -0.250 0.000 1.109 258 T HN 0.136 nan 8.240 nan 0.000 0.534 259 L N 2.449 123.644 121.223 -0.045 0.000 2.516 259 L HA 0.350 4.690 4.340 -0.001 0.000 0.288 259 L C -0.169 176.700 176.870 -0.003 0.000 1.246 259 L CA 0.807 55.643 54.840 -0.007 0.000 0.844 259 L CB 0.527 42.590 42.059 0.008 0.000 1.106 259 L HN 0.076 nan 8.230 nan 0.000 0.509 260 D N 4.818 125.224 120.400 0.010 0.000 2.363 260 D HA 0.298 4.938 4.640 -0.001 0.000 0.258 260 D C -1.980 174.325 176.300 0.009 0.000 1.259 260 D CA -1.493 52.511 54.000 0.007 0.000 0.921 260 D CB 1.544 42.350 40.800 0.010 0.000 1.201 260 D HN 0.325 nan 8.370 nan 0.000 0.524 261 P HA -0.182 nan 4.420 nan 0.000 0.221 261 P C 0.310 177.604 177.300 -0.010 0.000 1.153 261 P CA 1.442 64.540 63.100 -0.003 0.000 0.858 261 P CB 0.364 32.058 31.700 -0.010 0.000 0.783 262 N N -3.075 115.619 118.700 -0.010 0.000 2.250 262 N HA 0.066 4.805 4.740 -0.001 0.000 0.190 262 N C -0.257 175.243 175.510 -0.016 0.000 1.116 262 N CA 0.220 53.259 53.050 -0.018 0.000 0.881 262 N CB 0.384 38.859 38.487 -0.019 0.000 1.006 262 N HN -0.124 nan 8.380 nan 0.000 0.491 263 S N 2.067 117.766 115.700 -0.001 0.000 2.080 263 S HA 0.279 4.748 4.470 -0.001 0.000 0.162 263 S C -2.670 171.952 174.600 0.037 0.000 1.618 263 S CA -1.042 57.163 58.200 0.008 0.000 1.200 263 S CB 0.800 64.007 63.200 0.012 0.000 1.135 263 S HN 0.098 nan 8.310 nan 0.000 0.455 264 P HA 0.251 nan 4.420 nan 0.000 0.271 264 P C 0.019 177.457 177.300 0.229 0.000 1.226 264 P CA -0.322 62.847 63.100 0.116 0.000 0.765 264 P CB 1.219 32.970 31.700 0.085 0.000 0.835 265 R N 1.886 122.532 120.500 0.243 0.000 2.112 265 R HA 0.082 4.422 4.340 -0.001 0.000 0.216 265 R C 0.553 177.003 176.300 0.250 0.000 1.080 265 R CA 1.148 57.398 56.100 0.250 0.000 0.996 265 R CB -0.144 30.232 30.300 0.128 0.000 0.902 265 R HN 0.603 nan 8.270 nan 0.000 0.449 266 D N -3.055 117.449 120.400 0.173 0.000 2.752 266 D HA 0.042 4.682 4.640 -0.001 0.000 0.313 266 D C 0.194 176.496 176.300 0.003 0.000 1.225 266 D CA -0.855 52.961 54.000 -0.307 0.000 0.976 266 D CB -0.243 40.450 40.800 -0.178 0.000 1.443 266 D HN -0.166 nan 8.370 nan 0.000 0.515 267 F N 0.425 120.232 119.950 -0.238 0.000 2.043 267 F HA -0.158 4.368 4.527 -0.001 0.000 0.297 267 F C 1.974 177.904 175.800 0.218 0.000 1.118 267 F CA 1.850 59.899 58.000 0.080 0.000 1.202 267 F CB -0.272 38.710 39.000 -0.030 0.000 0.965 267 F HN 0.360 nan 8.300 nan 0.000 0.482 268 I N 0.069 120.828 120.570 0.314 0.000 2.145 268 I HA -0.380 3.789 4.170 -0.001 0.000 0.244 268 I C 2.138 178.374 176.117 0.199 0.000 1.075 268 I CA 1.673 63.122 61.300 0.247 0.000 1.332 268 I CB -0.778 37.338 38.000 0.195 0.000 1.033 268 I HN 0.209 nan 8.210 nan 0.000 0.410 269 D N 0.910 121.415 120.400 0.176 0.000 2.108 269 D HA -0.150 4.490 4.640 -0.001 0.000 0.190 269 D C 2.359 178.755 176.300 0.160 0.000 0.995 269 D CA 1.758 55.851 54.000 0.154 0.000 0.834 269 D CB -0.380 40.515 40.800 0.158 0.000 0.967 269 D HN 0.221 nan 8.370 nan 0.000 0.446 270 S N 0.429 116.240 115.700 0.186 0.000 2.404 270 S HA -0.245 4.224 4.470 -0.001 0.000 0.230 270 S C 1.895 176.647 174.600 0.254 0.000 1.046 270 S CA 1.233 59.537 58.200 0.174 0.000 1.135 270 S CB -0.919 62.357 63.200 0.126 0.000 1.056 270 S HN 0.303 nan 8.310 nan 0.000 0.426 271 F N 1.287 121.333 119.950 0.159 0.000 2.154 271 F HA -0.137 4.390 4.527 -0.001 0.000 0.301 271 F C 1.975 177.744 175.800 -0.052 0.000 1.087 271 F CA 1.006 58.993 58.000 -0.021 0.000 1.274 271 F CB -0.162 38.792 39.000 -0.077 0.000 1.009 271 F HN 0.123 nan 8.300 nan 0.000 0.485 272 L N -0.049 121.349 121.223 0.291 0.000 2.465 272 L HA -0.056 4.283 4.340 -0.001 0.000 0.224 272 L C 1.696 178.608 176.870 0.071 0.000 1.145 272 L CA 1.302 56.256 54.840 0.190 0.000 0.834 272 L CB -0.582 41.572 42.059 0.158 0.000 0.944 272 L HN 0.211 nan 8.230 nan 0.000 0.451 273 I N -1.643 118.947 120.570 0.034 0.000 2.585 273 I HA -0.107 4.063 4.170 -0.001 0.000 0.254 273 I C 2.097 178.148 176.117 -0.109 0.000 1.129 273 I CA 0.169 61.456 61.300 -0.021 0.000 1.455 273 I CB -0.173 37.825 38.000 -0.004 0.000 1.111 273 I HN 0.147 nan 8.210 nan 0.000 0.433 274 R N 0.396 120.762 120.500 -0.223 0.000 2.090 274 R HA -0.012 4.327 4.340 -0.001 0.000 0.228 274 R C 2.098 178.170 176.300 -0.380 0.000 1.110 274 R CA 1.125 56.961 56.100 -0.440 0.000 0.973 274 R CB -0.684 29.074 30.300 -0.902 0.000 0.869 274 R HN 0.371 nan 8.270 nan 0.000 0.440 275 M N 1.120 120.572 119.600 -0.247 0.000 2.082 275 M HA -0.257 4.222 4.480 -0.001 0.000 0.258 275 M C 2.390 178.660 176.300 -0.051 0.000 1.071 275 M CA 1.952 57.206 55.300 -0.078 0.000 1.103 275 M CB -0.435 32.205 32.600 0.066 0.000 1.307 275 M HN 0.159 nan 8.290 nan 0.000 0.409 276 Q N 0.306 120.081 119.800 -0.041 0.000 2.077 276 Q HA -0.233 4.106 4.340 -0.001 0.000 0.206 276 Q C 1.298 177.266 176.000 -0.052 0.000 0.989 276 Q CA 1.862 57.648 55.803 -0.029 0.000 0.853 276 Q CB -0.509 28.215 28.738 -0.024 0.000 0.907 276 Q HN 0.655 nan 8.270 nan 0.000 0.418 277 E N 0.342 120.486 120.200 -0.092 0.000 2.322 277 E HA -0.078 4.271 4.350 -0.001 0.000 0.195 277 E C 0.212 176.742 176.600 -0.117 0.000 1.198 277 E CA 0.250 56.589 56.400 -0.102 0.000 1.132 277 E CB 0.285 29.910 29.700 -0.125 0.000 1.213 277 E HN 0.167 nan 8.360 nan 0.000 0.450 278 E N 0.304 120.453 120.200 -0.085 0.000 2.703 278 E HA 0.011 4.360 4.350 -0.001 0.000 0.214 278 E C 0.699 177.297 176.600 -0.003 0.000 0.944 278 E CA 0.004 56.369 56.400 -0.059 0.000 1.299 278 E CB 0.230 29.880 29.700 -0.084 0.000 1.189 278 E HN 0.381 nan 8.360 nan 0.000 0.597 279 E N 1.125 121.325 120.200 -0.001 0.000 2.273 279 E HA -0.179 4.170 4.350 -0.001 0.000 0.198 279 E C 1.254 177.864 176.600 0.018 0.000 1.002 279 E CA 1.022 57.433 56.400 0.019 0.000 0.828 279 E CB 0.021 29.728 29.700 0.011 0.000 0.747 279 E HN 0.113 nan 8.360 nan 0.000 0.491 280 K N 0.461 120.865 120.400 0.006 0.000 2.365 280 K HA -0.020 4.299 4.320 -0.001 0.000 0.197 280 K C 0.706 177.315 176.600 0.015 0.000 1.042 280 K CA 0.121 56.411 56.287 0.006 0.000 0.987 280 K CB 0.107 32.605 32.500 -0.004 0.000 0.779 280 K HN -0.086 nan 8.250 nan 0.000 0.484 281 N N 1.471 120.184 118.700 0.022 0.000 2.462 281 N HA 0.073 4.813 4.740 -0.001 0.000 0.242 281 N C -2.060 173.487 175.510 0.061 0.000 1.010 281 N CA -2.276 50.795 53.050 0.036 0.000 0.939 281 N CB 1.179 39.686 38.487 0.032 0.000 1.127 281 N HN -0.132 nan 8.380 nan 0.000 0.509 282 P HA 0.077 nan 4.420 nan 0.000 0.245 282 P C -0.514 176.837 177.300 0.086 0.000 1.212 282 P CA 0.557 63.696 63.100 0.065 0.000 0.774 282 P CB 0.412 32.139 31.700 0.044 0.000 0.999 283 N N -1.147 117.606 118.700 0.088 0.000 2.282 283 N HA 0.054 4.793 4.740 -0.001 0.000 0.240 283 N C 0.025 175.607 175.510 0.119 0.000 1.182 283 N CA 0.043 53.152 53.050 0.098 0.000 0.874 283 N CB 0.262 38.791 38.487 0.070 0.000 1.126 283 N HN -0.047 nan 8.380 nan 0.000 0.516 284 T N -0.297 114.344 114.554 0.146 0.000 2.909 284 T HA 0.130 4.479 4.350 -0.001 0.000 0.289 284 T C 0.930 175.701 174.700 0.120 0.000 1.005 284 T CA -0.125 62.068 62.100 0.155 0.000 1.084 284 T CB 0.806 69.777 68.868 0.170 0.000 0.975 284 T HN 0.006 nan 8.240 nan 0.000 0.509 285 E N 2.768 122.910 120.200 -0.097 0.000 2.447 285 E HA 0.072 4.422 4.350 -0.001 0.000 0.195 285 E C -0.160 175.836 176.600 -1.007 0.000 1.028 285 E CA 0.237 56.349 56.400 -0.479 0.000 0.876 285 E CB 0.081 29.508 29.700 -0.456 0.000 0.885 285 E HN 0.657 nan 8.360 nan 0.000 0.500 286 F N 2.259 121.895 119.950 -0.523 0.000 2.566 286 F HA 0.130 4.656 4.527 -0.001 0.000 0.349 286 F C 0.115 175.766 175.800 -0.248 0.000 1.245 286 F CA -0.619 57.077 58.000 -0.508 0.000 1.169 286 F CB -0.450 38.148 39.000 -0.670 0.000 1.470 286 F HN -0.124 nan 8.300 nan 0.000 0.634 287 Y N -0.414 120.044 120.300 0.265 0.000 2.805 287 Y HA 0.509 5.058 4.550 -0.001 0.000 0.323 287 Y C 0.497 176.518 175.900 0.202 0.000 1.279 287 Y CA -1.712 56.497 58.100 0.181 0.000 1.103 287 Y CB -0.202 38.307 38.460 0.082 0.000 1.324 287 Y HN 0.075 nan 8.280 nan 0.000 0.498 288 L N 1.365 122.797 121.223 0.350 0.000 1.989 288 L HA -0.089 4.251 4.340 -0.001 0.000 0.211 288 L C 2.299 179.257 176.870 0.146 0.000 1.071 288 L CA 2.344 57.300 54.840 0.195 0.000 0.749 288 L CB -0.815 41.309 42.059 0.108 0.000 0.890 288 L HN 0.867 nan 8.230 nan 0.000 0.431 289 K N -0.167 120.329 120.400 0.159 0.000 2.015 289 K HA -0.253 4.066 4.320 -0.001 0.000 0.220 289 K C 1.945 178.597 176.600 0.087 0.000 1.055 289 K CA 2.221 58.520 56.287 0.020 0.000 0.951 289 K CB -0.375 31.967 32.500 -0.264 0.000 0.725 289 K HN 0.388 nan 8.250 nan 0.000 0.449 290 N N 0.374 119.184 118.700 0.183 0.000 2.364 290 N HA -0.145 4.594 4.740 -0.001 0.000 0.183 290 N C 1.521 176.949 175.510 -0.136 0.000 1.022 290 N CA 0.964 54.070 53.050 0.093 0.000 0.883 290 N CB -0.229 38.235 38.487 -0.037 0.000 0.965 290 N HN 0.200 nan 8.380 nan 0.000 0.438 291 L N 0.739 121.796 121.223 -0.276 0.000 2.023 291 L HA -0.037 4.303 4.340 -0.001 0.000 0.205 291 L C 2.024 178.713 176.870 -0.302 0.000 1.073 291 L CA 1.382 55.743 54.840 -0.798 0.000 0.745 291 L CB -0.887 40.945 42.059 -0.379 0.000 0.900 291 L HN -0.146 nan 8.230 nan 0.000 0.435 292 V N 0.135 120.001 119.914 -0.081 0.000 2.332 292 V HA -0.327 3.793 4.120 -0.001 0.000 0.248 292 V C 2.668 178.824 176.094 0.102 0.000 1.055 292 V CA 2.117 64.432 62.300 0.025 0.000 1.038 292 V CB -0.774 31.070 31.823 0.036 0.000 0.651 292 V HN 0.462 nan 8.190 nan 0.000 0.450 293 M N -0.401 119.289 119.600 0.150 0.000 2.254 293 M HA -0.073 4.407 4.480 -0.001 0.000 0.265 293 M C 2.228 178.757 176.300 0.383 0.000 1.066 293 M CA 1.611 57.135 55.300 0.372 0.000 1.123 293 M CB -1.656 31.264 32.600 0.533 0.000 1.388 293 M HN 0.415 nan 8.290 nan 0.000 0.425 294 T N 0.502 115.161 114.554 0.176 0.000 2.821 294 T HA -0.075 4.274 4.350 -0.001 0.000 0.267 294 T C 1.857 176.574 174.700 0.028 0.000 1.046 294 T CA 1.827 64.003 62.100 0.127 0.000 1.139 294 T CB -0.372 68.604 68.868 0.180 0.000 0.871 294 T HN 0.392 nan 8.240 nan 0.000 0.454 295 T N 2.879 117.433 114.554 -0.000 0.000 2.708 295 T HA -0.047 4.303 4.350 -0.001 0.000 0.266 295 T C 1.896 176.631 174.700 0.059 0.000 1.037 295 T CA 0.837 62.858 62.100 -0.131 0.000 1.146 295 T CB -0.535 68.327 68.868 -0.010 0.000 0.865 295 T HN 0.117 nan 8.240 nan 0.000 0.435 296 L N 2.063 123.440 121.223 0.257 0.000 2.012 296 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 296 L C 1.838 178.959 176.870 0.419 0.000 1.073 296 L CA 1.718 56.830 54.840 0.454 0.000 0.748 296 L CB -1.434 40.934 42.059 0.514 0.000 0.891 296 L HN 0.256 nan 8.230 nan 0.000 0.431 297 N N -0.716 118.167 118.700 0.305 0.000 2.060 297 N HA -0.265 4.474 4.740 -0.001 0.000 0.195 297 N C 1.864 177.395 175.510 0.035 0.000 1.028 297 N CA 1.956 55.044 53.050 0.064 0.000 0.861 297 N CB -0.332 38.079 38.487 -0.127 0.000 1.029 297 N HN 0.386 nan 8.380 nan 0.000 0.428 298 L N -0.597 120.636 121.223 0.018 0.000 2.056 298 L HA -0.117 4.223 4.340 -0.001 0.000 0.207 298 L C 2.146 179.091 176.870 0.125 0.000 1.078 298 L CA 0.676 55.506 54.840 -0.017 0.000 0.749 298 L CB -0.439 41.506 42.059 -0.189 0.000 0.901 298 L HN 0.216 nan 8.230 nan 0.000 0.433 299 F N 0.464 120.431 119.950 0.028 0.000 2.113 299 F HA -0.232 4.294 4.527 -0.001 0.000 0.297 299 F C 2.301 178.219 175.800 0.197 0.000 1.103 299 F CA 1.056 59.136 58.000 0.133 0.000 1.248 299 F CB -0.731 38.423 39.000 0.257 0.000 0.999 299 F HN -0.082 nan 8.300 nan 0.000 0.475 300 F N 0.540 120.449 119.950 -0.069 0.000 2.031 300 F HA -0.151 4.376 4.527 -0.001 0.000 0.295 300 F C 2.516 178.198 175.800 -0.197 0.000 1.133 300 F CA 1.751 59.630 58.000 -0.201 0.000 1.188 300 F CB -0.618 38.380 39.000 -0.004 0.000 0.974 300 F HN 0.019 nan 8.300 nan 0.000 0.473 301 A N 0.106 123.022 122.820 0.161 0.000 1.978 301 A HA -0.122 4.197 4.320 -0.001 0.000 0.220 301 A C 2.287 179.859 177.584 -0.020 0.000 1.170 301 A CA 1.668 53.688 52.037 -0.029 0.000 0.636 301 A CB -1.758 17.146 19.000 -0.160 0.000 0.810 301 A HN 0.558 nan 8.150 nan 0.000 0.448 302 G N -1.446 107.371 108.800 0.028 0.000 2.432 302 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.219 302 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.219 302 G C 1.499 176.437 174.900 0.064 0.000 1.135 302 G CA 1.655 46.792 45.100 0.062 0.000 0.767 302 G HN 0.457 nan 8.290 nan 0.000 0.550 303 T N 0.277 114.833 114.554 0.003 0.000 2.837 303 T HA 0.053 4.402 4.350 -0.001 0.000 0.242 303 T C 2.135 176.758 174.700 -0.128 0.000 1.044 303 T CA 1.109 63.170 62.100 -0.065 0.000 1.202 303 T CB -0.206 68.522 68.868 -0.233 0.000 0.905 303 T HN 0.194 nan 8.240 nan 0.000 0.413 304 E N 1.094 121.172 120.200 -0.205 0.000 2.086 304 E HA -0.184 4.166 4.350 -0.001 0.000 0.200 304 E C 2.427 178.853 176.600 -0.290 0.000 1.012 304 E CA 2.187 58.404 56.400 -0.305 0.000 0.812 304 E CB -0.686 28.744 29.700 -0.450 0.000 0.743 304 E HN 0.667 nan 8.360 nan 0.000 0.453 305 T N -1.903 112.507 114.554 -0.239 0.000 2.607 305 T HA -0.202 4.148 4.350 -0.001 0.000 0.267 305 T C 2.006 176.679 174.700 -0.045 0.000 1.049 305 T CA 2.180 64.194 62.100 -0.144 0.000 1.162 305 T CB -1.003 67.803 68.868 -0.103 0.000 0.863 305 T HN 0.027 nan 8.240 nan 0.000 0.424 306 V N 1.679 121.594 119.914 0.001 0.000 2.407 306 V HA -0.137 3.982 4.120 -0.001 0.000 0.248 306 V C 3.082 179.182 176.094 0.009 0.000 1.055 306 V CA 1.871 64.213 62.300 0.071 0.000 1.049 306 V CB -1.292 30.617 31.823 0.142 0.000 0.662 306 V HN 0.670 nan 8.190 nan 0.000 0.455 307 S N 0.185 115.843 115.700 -0.069 0.000 2.348 307 S HA -0.247 4.223 4.470 -0.001 0.000 0.221 307 S C 2.143 176.666 174.600 -0.128 0.000 1.033 307 S CA 2.500 60.612 58.200 -0.147 0.000 1.010 307 S CB -0.537 62.548 63.200 -0.192 0.000 0.891 307 S HN 0.689 nan 8.310 nan 0.000 0.442 308 T N 1.615 116.127 114.554 -0.070 0.000 2.665 308 T HA -0.115 4.234 4.350 -0.001 0.000 0.268 308 T C 1.968 176.709 174.700 0.069 0.000 1.035 308 T CA 2.059 64.164 62.100 0.010 0.000 1.151 308 T CB -1.216 67.723 68.868 0.118 0.000 0.862 308 T HN 0.579 nan 8.240 nan 0.000 0.438 309 T N 2.616 117.223 114.554 0.088 0.000 2.684 309 T HA -0.012 4.337 4.350 -0.001 0.000 0.267 309 T C 2.036 176.850 174.700 0.190 0.000 1.036 309 T CA 0.998 63.196 62.100 0.164 0.000 1.148 309 T CB -0.601 68.362 68.868 0.159 0.000 0.863 309 T HN 0.234 nan 8.240 nan 0.000 0.436 310 L N 0.439 121.690 121.223 0.047 0.000 1.989 310 L HA -0.136 4.204 4.340 -0.001 0.000 0.211 310 L C 2.910 179.451 176.870 -0.548 0.000 1.071 310 L CA 1.643 56.319 54.840 -0.272 0.000 0.749 310 L CB -0.499 41.298 42.059 -0.436 0.000 0.890 310 L HN 0.173 nan 8.230 nan 0.000 0.431 311 R N -0.776 119.493 120.500 -0.384 0.000 2.083 311 R HA -0.247 4.092 4.340 -0.001 0.000 0.237 311 R C 2.437 178.769 176.300 0.053 0.000 1.137 311 R CA 1.795 57.727 56.100 -0.280 0.000 0.951 311 R CB -0.588 29.585 30.300 -0.211 0.000 0.851 311 R HN 0.344 nan 8.270 nan 0.000 0.434 312 Y N 0.068 120.368 120.300 0.000 0.000 2.181 312 Y HA -0.159 4.391 4.550 -0.001 0.000 0.288 312 Y C 2.250 178.198 175.900 0.080 0.000 1.146 312 Y CA 0.892 59.032 58.100 0.067 0.000 1.164 312 Y CB -0.308 38.202 38.460 0.084 0.000 0.982 312 Y HN 0.346 nan 8.280 nan 0.000 0.515 313 G N 0.002 109.013 108.800 0.351 0.000 2.469 313 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.219 313 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.219 313 G C 1.539 176.733 174.900 0.490 0.000 1.150 313 G CA 1.112 46.481 45.100 0.448 0.000 0.763 313 G HN 0.502 nan 8.290 nan 0.000 0.561 314 F N -0.222 119.798 119.950 0.117 0.000 2.075 314 F HA -0.061 4.465 4.527 -0.001 0.000 0.297 314 F C 2.561 178.255 175.800 -0.177 0.000 1.113 314 F CA 0.506 58.479 58.000 -0.044 0.000 1.218 314 F CB -0.286 38.589 39.000 -0.209 0.000 0.984 314 F HN 0.133 nan 8.300 nan 0.000 0.472 315 L N 0.641 121.797 121.223 -0.112 0.000 2.127 315 L HA -0.203 4.136 4.340 -0.001 0.000 0.211 315 L C 1.992 178.719 176.870 -0.237 0.000 1.089 315 L CA 1.544 56.094 54.840 -0.484 0.000 0.757 315 L CB -0.646 41.045 42.059 -0.613 0.000 0.899 315 L HN 0.101 nan 8.230 nan 0.000 0.434 316 L N -1.587 119.563 121.223 -0.121 0.000 2.093 316 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 316 L C 2.408 179.155 176.870 -0.206 0.000 1.085 316 L CA 1.040 55.685 54.840 -0.326 0.000 0.755 316 L CB -0.393 41.307 42.059 -0.598 0.000 0.904 316 L HN 0.285 nan 8.230 nan 0.000 0.435 317 L N -1.156 120.076 121.223 0.016 0.000 2.093 317 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 317 L C 2.564 179.475 176.870 0.068 0.000 1.085 317 L CA 1.212 56.134 54.840 0.137 0.000 0.755 317 L CB -0.268 41.978 42.059 0.312 0.000 0.904 317 L HN 0.308 nan 8.230 nan 0.000 0.435 318 M N -0.678 118.916 119.600 -0.009 0.000 2.319 318 M HA -0.179 4.301 4.480 -0.001 0.000 0.265 318 M C 2.215 178.435 176.300 -0.133 0.000 1.068 318 M CA 1.261 56.526 55.300 -0.059 0.000 1.118 318 M CB -0.114 32.407 32.600 -0.131 0.000 1.395 318 M HN 0.012 nan 8.290 nan 0.000 0.435 319 K N 0.070 120.328 120.400 -0.237 0.000 2.155 319 K HA -0.069 4.250 4.320 -0.001 0.000 0.203 319 K C 0.250 176.553 176.600 -0.495 0.000 1.052 319 K CA 1.158 57.203 56.287 -0.403 0.000 0.948 319 K CB 0.116 32.277 32.500 -0.566 0.000 0.728 319 K HN 0.310 nan 8.250 nan 0.000 0.448 320 H N -0.160 118.889 119.070 -0.035 0.000 2.360 320 H HA 0.224 4.779 4.556 -0.001 0.000 0.233 320 H C -2.175 173.184 175.328 0.051 0.000 1.473 320 H CA -2.120 53.953 56.048 0.041 0.000 1.352 320 H CB 1.289 31.134 29.762 0.139 0.000 1.493 320 H HN 0.092 nan 8.280 nan 0.000 0.533 321 P HA -0.193 nan 4.420 nan 0.000 0.214 321 P C 1.650 178.987 177.300 0.061 0.000 1.163 321 P CA 1.172 64.304 63.100 0.053 0.000 0.889 321 P CB 0.533 32.248 31.700 0.025 0.000 0.790 322 E N -0.589 119.658 120.200 0.078 0.000 2.208 322 E HA -0.168 4.181 4.350 -0.001 0.000 0.202 322 E C 1.917 178.562 176.600 0.075 0.000 1.014 322 E CA 1.234 57.672 56.400 0.063 0.000 0.819 322 E CB -0.830 28.914 29.700 0.072 0.000 0.735 322 E HN 0.185 nan 8.360 nan 0.000 0.469 323 V N 0.926 120.924 119.914 0.139 0.000 2.346 323 V HA -0.194 3.925 4.120 -0.001 0.000 0.244 323 V C 2.480 178.660 176.094 0.143 0.000 1.037 323 V CA 1.749 64.176 62.300 0.213 0.000 1.029 323 V CB -0.504 31.487 31.823 0.280 0.000 0.663 323 V HN 0.255 nan 8.190 nan 0.000 0.454 324 E N 0.841 121.065 120.200 0.040 0.000 2.086 324 E HA -0.306 4.043 4.350 -0.001 0.000 0.200 324 E C 2.168 178.522 176.600 -0.410 0.000 1.012 324 E CA 1.837 58.132 56.400 -0.176 0.000 0.812 324 E CB -0.266 29.306 29.700 -0.213 0.000 0.743 324 E HN 0.539 nan 8.360 nan 0.000 0.453 325 A N 1.205 123.890 122.820 -0.224 0.000 1.883 325 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 325 A C 2.084 179.624 177.584 -0.073 0.000 1.186 325 A CA 1.957 53.914 52.037 -0.133 0.000 0.624 325 A CB -0.478 18.506 19.000 -0.027 0.000 0.822 325 A HN 0.219 nan 8.150 nan 0.000 0.444 326 K N -0.457 119.891 120.400 -0.088 0.000 2.103 326 K HA -0.085 4.234 4.320 -0.001 0.000 0.207 326 K C 1.748 178.289 176.600 -0.097 0.000 1.048 326 K CA 1.448 57.615 56.287 -0.201 0.000 0.930 326 K CB -0.354 31.841 32.500 -0.508 0.000 0.716 326 K HN 0.343 nan 8.250 nan 0.000 0.444 327 V N 0.694 120.667 119.914 0.098 0.000 2.626 327 V HA -0.209 3.910 4.120 -0.001 0.000 0.252 327 V C 1.815 178.013 176.094 0.173 0.000 1.067 327 V CA 1.558 63.995 62.300 0.228 0.000 1.081 327 V CB -0.705 31.247 31.823 0.215 0.000 0.686 327 V HN 0.372 nan 8.190 nan 0.000 0.468 328 H N 0.173 119.265 119.070 0.036 0.000 2.357 328 H HA -0.122 4.433 4.556 -0.001 0.000 0.301 328 H C 2.425 177.750 175.328 -0.004 0.000 1.082 328 H CA 1.546 57.592 56.048 -0.003 0.000 1.342 328 H CB 0.288 30.032 29.762 -0.030 0.000 1.389 328 H HN 0.533 nan 8.280 nan 0.000 0.511 329 E N 0.682 120.951 120.200 0.116 0.000 2.047 329 E HA -0.178 4.171 4.350 -0.001 0.000 0.191 329 E C 1.945 178.571 176.600 0.043 0.000 0.987 329 E CA 0.839 57.266 56.400 0.046 0.000 0.799 329 E CB 0.052 29.753 29.700 0.002 0.000 0.752 329 E HN 0.315 nan 8.360 nan 0.000 0.449 330 E N 0.677 120.908 120.200 0.052 0.000 2.455 330 E HA -0.134 4.215 4.350 -0.001 0.000 0.202 330 E C 1.358 178.016 176.600 0.096 0.000 1.045 330 E CA 0.613 57.060 56.400 0.078 0.000 0.872 330 E CB -0.008 29.770 29.700 0.130 0.000 0.792 330 E HN 0.287 nan 8.360 nan 0.000 0.542 331 I N -0.404 120.220 120.570 0.090 0.000 2.834 331 I HA -0.108 4.061 4.170 -0.001 0.000 0.239 331 I C 1.422 177.564 176.117 0.042 0.000 1.073 331 I CA 0.406 61.751 61.300 0.075 0.000 1.459 331 I CB -0.128 37.920 38.000 0.079 0.000 1.288 331 I HN -0.007 nan 8.210 nan 0.000 0.455 332 D N 0.959 121.373 120.400 0.022 0.000 2.190 332 D HA -0.238 4.401 4.640 -0.001 0.000 0.200 332 D C 2.052 178.357 176.300 0.009 0.000 0.992 332 D CA 1.162 55.163 54.000 0.000 0.000 0.854 332 D CB -0.357 40.434 40.800 -0.015 0.000 0.936 332 D HN 0.230 nan 8.370 nan 0.000 0.462 333 R N 0.408 120.919 120.500 0.018 0.000 2.092 333 R HA -0.074 4.265 4.340 -0.001 0.000 0.231 333 R C 1.647 177.959 176.300 0.020 0.000 1.119 333 R CA 1.022 57.131 56.100 0.016 0.000 0.970 333 R CB 0.130 30.441 30.300 0.018 0.000 0.864 333 R HN 0.070 nan 8.270 nan 0.000 0.440 334 V N -0.016 119.918 119.914 0.033 0.000 3.307 334 V HA 0.097 4.217 4.120 -0.001 0.000 0.253 334 V C 1.477 177.592 176.094 0.035 0.000 1.149 334 V CA 0.797 63.118 62.300 0.036 0.000 1.112 334 V CB 0.454 32.310 31.823 0.055 0.000 0.777 334 V HN 0.288 nan 8.190 nan 0.000 0.464 335 I N -0.561 120.029 120.570 0.034 0.000 4.219 335 I HA 0.404 4.573 4.170 -0.001 0.000 0.329 335 I C 1.574 177.697 176.117 0.009 0.000 1.427 335 I CA 0.335 61.652 61.300 0.027 0.000 1.151 335 I CB 0.260 38.284 38.000 0.040 0.000 1.369 335 I HN 0.286 nan 8.210 nan 0.000 0.521 336 G N 2.770 111.571 108.800 0.003 0.000 2.627 336 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.400 336 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.400 336 G C 0.713 175.598 174.900 -0.026 0.000 1.334 336 G CA 0.826 45.919 45.100 -0.011 0.000 0.960 336 G HN 0.468 nan 8.290 nan 0.000 0.533 337 K N 0.748 121.130 120.400 -0.031 0.000 2.469 337 K HA 0.175 4.494 4.320 -0.001 0.000 0.204 337 K C 1.097 177.676 176.600 -0.035 0.000 1.047 337 K CA -0.380 55.879 56.287 -0.046 0.000 1.072 337 K CB 0.335 32.800 32.500 -0.059 0.000 0.863 337 K HN 0.310 nan 8.250 nan 0.000 0.530 338 N N 2.121 120.810 118.700 -0.019 0.000 1.971 338 N HA 0.025 4.764 4.740 -0.001 0.000 0.231 338 N C 0.576 176.084 175.510 -0.004 0.000 1.062 338 N CA 0.280 53.324 53.050 -0.011 0.000 1.093 338 N CB -0.158 38.327 38.487 -0.004 0.000 1.429 338 N HN 0.176 nan 8.380 nan 0.000 0.556 339 R N 1.662 122.166 120.500 0.006 0.000 2.827 339 R HA 0.041 4.380 4.340 -0.001 0.000 0.269 339 R C 0.182 176.493 176.300 0.019 0.000 1.048 339 R CA -0.145 55.964 56.100 0.015 0.000 1.173 339 R CB -0.059 30.254 30.300 0.021 0.000 1.070 339 R HN 0.380 nan 8.270 nan 0.000 0.498 340 Q N 0.448 120.264 119.800 0.027 0.000 2.260 340 Q HA 0.427 4.767 4.340 -0.001 0.000 0.242 340 Q C -2.374 173.657 176.000 0.051 0.000 0.932 340 Q CA -2.247 53.577 55.803 0.034 0.000 0.891 340 Q CB 0.661 29.421 28.738 0.036 0.000 1.222 340 Q HN 0.398 nan 8.270 nan 0.000 0.453 341 P HA 0.013 nan 4.420 nan 0.000 0.271 341 P C -1.195 176.192 177.300 0.145 0.000 1.244 341 P CA -0.146 63.017 63.100 0.105 0.000 0.793 341 P CB 0.445 32.192 31.700 0.079 0.000 0.984 342 K N -0.104 120.424 120.400 0.212 0.000 2.533 342 K HA 0.331 4.651 4.320 -0.001 0.000 0.272 342 K C 0.558 177.340 176.600 0.303 0.000 0.985 342 K CA -0.704 55.739 56.287 0.259 0.000 0.876 342 K CB 0.589 33.223 32.500 0.224 0.000 1.452 342 K HN 0.249 nan 8.250 nan 0.000 0.439 343 F N 0.845 120.832 119.950 0.063 0.000 2.225 343 F HA -0.213 4.313 4.527 -0.001 0.000 0.302 343 F C 1.472 177.186 175.800 -0.144 0.000 1.068 343 F CA 1.783 59.769 58.000 -0.024 0.000 1.327 343 F CB -0.782 38.196 39.000 -0.037 0.000 1.043 343 F HN 0.800 nan 8.300 nan 0.000 0.506 344 E N -0.460 119.255 120.200 -0.808 0.000 2.400 344 E HA -0.075 4.275 4.350 -0.001 0.000 0.195 344 E C 1.063 177.447 176.600 -0.361 0.000 1.012 344 E CA 0.570 56.534 56.400 -0.727 0.000 0.875 344 E CB -0.637 28.534 29.700 -0.881 0.000 0.859 344 E HN 0.348 nan 8.360 nan 0.000 0.498 345 D N 1.972 122.271 120.400 -0.170 0.000 2.265 345 D HA -0.194 4.445 4.640 -0.001 0.000 0.208 345 D C 1.801 178.060 176.300 -0.069 0.000 0.977 345 D CA 0.636 54.626 54.000 -0.016 0.000 0.871 345 D CB -0.268 40.638 40.800 0.177 0.000 0.925 345 D HN 0.260 nan 8.370 nan 0.000 0.485 346 R N 1.154 121.420 120.500 -0.391 0.000 2.143 346 R HA -0.280 4.059 4.340 -0.001 0.000 0.239 346 R C 2.213 178.306 176.300 -0.345 0.000 1.126 346 R CA 2.129 57.789 56.100 -0.734 0.000 0.927 346 R CB -0.403 29.316 30.300 -0.968 0.000 0.860 346 R HN 0.114 nan 8.270 nan 0.000 0.433 347 A N 1.020 123.662 122.820 -0.296 0.000 1.915 347 A HA -0.266 4.053 4.320 -0.001 0.000 0.220 347 A C 2.032 179.550 177.584 -0.109 0.000 1.198 347 A CA 2.455 54.376 52.037 -0.194 0.000 0.647 347 A CB -0.526 18.372 19.000 -0.169 0.000 0.825 347 A HN 0.397 nan 8.150 nan 0.000 0.456 348 K N -0.872 119.485 120.400 -0.072 0.000 2.504 348 K HA 0.144 4.463 4.320 -0.001 0.000 0.195 348 K C 0.155 176.770 176.600 0.026 0.000 1.036 348 K CA 0.545 56.822 56.287 -0.016 0.000 0.984 348 K CB -0.079 32.418 32.500 -0.004 0.000 0.788 348 K HN 0.605 nan 8.250 nan 0.000 0.488 349 M N 1.330 120.951 119.600 0.035 0.000 2.065 349 M HA 0.195 4.675 4.480 -0.001 0.000 0.332 349 M C -1.907 174.446 176.300 0.088 0.000 0.988 349 M CA -1.678 53.687 55.300 0.108 0.000 0.944 349 M CB 1.608 34.340 32.600 0.220 0.000 1.357 349 M HN -0.160 nan 8.290 nan 0.000 0.388 350 P HA -0.172 nan 4.420 nan 0.000 0.215 350 P C 1.238 178.672 177.300 0.224 0.000 1.157 350 P CA 1.416 64.611 63.100 0.157 0.000 0.856 350 P CB 0.125 31.928 31.700 0.172 0.000 0.786 351 Y N 1.667 122.029 120.300 0.102 0.000 2.097 351 Y HA -0.204 4.345 4.550 -0.001 0.000 0.282 351 Y C 2.527 178.491 175.900 0.107 0.000 1.152 351 Y CA 2.612 60.768 58.100 0.094 0.000 1.136 351 Y CB -1.307 37.192 38.460 0.064 0.000 0.975 351 Y HN -0.070 nan 8.280 nan 0.000 0.498 352 T N 0.220 114.913 114.554 0.231 0.000 2.720 352 T HA -0.196 4.153 4.350 -0.001 0.000 0.268 352 T C 1.726 176.489 174.700 0.106 0.000 1.037 352 T CA 1.577 63.776 62.100 0.166 0.000 1.144 352 T CB -0.231 68.784 68.868 0.245 0.000 0.864 352 T HN 0.317 nan 8.240 nan 0.000 0.444 353 E N 0.989 121.246 120.200 0.096 0.000 2.085 353 E HA -0.090 4.259 4.350 -0.001 0.000 0.194 353 E C 2.551 179.187 176.600 0.060 0.000 0.994 353 E CA 1.262 57.631 56.400 -0.052 0.000 0.801 353 E CB -0.469 28.916 29.700 -0.526 0.000 0.743 353 E HN 0.515 nan 8.360 nan 0.000 0.453 354 A N 0.908 123.818 122.820 0.151 0.000 1.845 354 A HA -0.149 4.170 4.320 -0.001 0.000 0.215 354 A C 2.639 180.176 177.584 -0.079 0.000 1.195 354 A CA 1.674 53.764 52.037 0.088 0.000 0.616 354 A CB -0.963 18.050 19.000 0.020 0.000 0.832 354 A HN 0.129 nan 8.150 nan 0.000 0.443 355 V N 0.597 120.378 119.914 -0.220 0.000 2.250 355 V HA -0.360 3.760 4.120 -0.001 0.000 0.250 355 V C 2.469 178.500 176.094 -0.105 0.000 1.060 355 V CA 2.400 64.582 62.300 -0.197 0.000 1.030 355 V CB -0.796 30.912 31.823 -0.192 0.000 0.643 355 V HN 0.581 nan 8.190 nan 0.000 0.445 356 I N -1.007 119.468 120.570 -0.158 0.000 2.208 356 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 356 I C 2.470 178.522 176.117 -0.108 0.000 1.097 356 I CA 1.867 63.006 61.300 -0.269 0.000 1.363 356 I CB -0.614 37.237 38.000 -0.249 0.000 1.051 356 I HN 0.383 nan 8.210 nan 0.000 0.413 357 H N 0.262 119.168 119.070 -0.273 0.000 2.321 357 H HA -0.209 4.347 4.556 -0.001 0.000 0.300 357 H C 2.114 177.279 175.328 -0.272 0.000 1.087 357 H CA 1.798 57.528 56.048 -0.530 0.000 1.319 357 H CB -0.180 28.720 29.762 -1.436 0.000 1.379 357 H HN 0.251 nan 8.280 nan 0.000 0.501 358 E N 0.712 120.891 120.200 -0.036 0.000 2.110 358 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 358 E C 2.033 178.813 176.600 0.301 0.000 0.988 358 E CA 1.087 57.665 56.400 0.297 0.000 0.804 358 E CB -0.446 29.301 29.700 0.078 0.000 0.745 358 E HN 0.525 nan 8.360 nan 0.000 0.458 359 I N 0.293 121.000 120.570 0.227 0.000 2.286 359 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 359 I C 2.512 178.704 176.117 0.125 0.000 1.115 359 I CA 1.273 62.703 61.300 0.217 0.000 1.392 359 I CB -0.268 37.812 38.000 0.133 0.000 1.065 359 I HN 0.231 nan 8.210 nan 0.000 0.418 360 Q N -0.048 119.809 119.800 0.095 0.000 2.230 360 Q HA -0.183 4.156 4.340 -0.001 0.000 0.202 360 Q C 2.305 178.273 176.000 -0.054 0.000 0.963 360 Q CA 0.985 56.788 55.803 0.001 0.000 0.866 360 Q CB 0.016 28.750 28.738 -0.007 0.000 0.931 360 Q HN 0.411 nan 8.270 nan 0.000 0.452 361 R N -0.130 120.433 120.500 0.105 0.000 2.052 361 R HA -0.104 4.235 4.340 -0.001 0.000 0.226 361 R C 2.063 178.364 176.300 0.002 0.000 1.145 361 R CA 0.989 57.116 56.100 0.045 0.000 0.952 361 R CB -0.344 30.107 30.300 0.251 0.000 0.847 361 R HN 0.185 nan 8.270 nan 0.000 0.431 362 F N 0.909 120.843 119.950 -0.025 0.000 2.126 362 F HA -0.110 4.417 4.527 -0.001 0.000 0.299 362 F C 1.995 177.667 175.800 -0.213 0.000 1.096 362 F CA 2.078 60.042 58.000 -0.059 0.000 1.255 362 F CB -0.562 38.491 39.000 0.089 0.000 0.997 362 F HN 0.191 nan 8.300 nan 0.000 0.479 363 G N -0.842 107.921 108.800 -0.062 0.000 2.471 363 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.219 363 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.219 363 G C 0.184 175.017 174.900 -0.112 0.000 1.125 363 G CA 0.709 45.674 45.100 -0.225 0.000 0.775 363 G HN 0.473 nan 8.290 nan 0.000 0.548 364 D N -0.772 119.524 120.400 -0.174 0.000 2.894 364 D HA -0.248 4.391 4.640 -0.001 0.000 0.216 364 D C 1.408 177.593 176.300 -0.192 0.000 1.245 364 D CA 0.505 54.369 54.000 -0.227 0.000 0.728 364 D CB -1.098 39.523 40.800 -0.298 0.000 0.924 364 D HN 0.360 nan 8.370 nan 0.000 0.395 365 M N 0.802 120.305 119.600 -0.162 0.000 2.089 365 M HA -0.185 4.295 4.480 -0.001 0.000 0.257 365 M C 0.579 176.753 176.300 -0.210 0.000 1.071 365 M CA 1.534 56.764 55.300 -0.116 0.000 1.096 365 M CB 0.061 32.602 32.600 -0.097 0.000 1.330 365 M HN 0.389 nan 8.290 nan 0.000 0.403 366 L N 0.506 121.553 121.223 -0.293 0.000 2.387 366 L HA 0.231 4.571 4.340 -0.001 0.000 0.259 366 L C -1.655 175.018 176.870 -0.327 0.000 1.050 366 L CA -1.568 53.028 54.840 -0.406 0.000 0.922 366 L CB 0.654 42.441 42.059 -0.454 0.000 1.280 366 L HN 0.051 nan 8.230 nan 0.000 0.449 367 P HA -0.187 nan 4.420 nan 0.000 0.216 367 P C 0.891 178.116 177.300 -0.126 0.000 1.153 367 P CA 1.650 64.574 63.100 -0.293 0.000 0.858 367 P CB 0.305 31.787 31.700 -0.363 0.000 0.789 368 M N -1.017 118.524 119.600 -0.098 0.000 2.655 368 M HA 0.323 4.803 4.480 -0.001 0.000 0.311 368 M C 0.930 177.136 176.300 -0.157 0.000 1.229 368 M CA -0.074 55.209 55.300 -0.029 0.000 0.972 368 M CB 0.358 32.972 32.600 0.024 0.000 1.366 368 M HN -0.087 nan 8.290 nan 0.000 0.500 369 G N 2.227 110.921 108.800 -0.176 0.000 2.668 369 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.266 369 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.266 369 G C -0.928 173.875 174.900 -0.160 0.000 1.328 369 G CA -0.612 44.389 45.100 -0.166 0.000 0.911 369 G HN 0.385 nan 8.290 nan 0.000 0.567 370 L N 0.788 121.963 121.223 -0.081 0.000 2.272 370 L HA 0.734 5.073 4.340 -0.001 0.000 0.289 370 L C 1.146 177.936 176.870 -0.134 0.000 1.032 370 L CA 0.372 55.219 54.840 0.012 0.000 0.810 370 L CB 0.671 42.754 42.059 0.040 0.000 1.205 370 L HN 1.823 nan 8.230 nan 0.000 0.422 371 A N 4.769 127.484 122.820 -0.176 0.000 2.600 371 A HA 0.060 4.379 4.320 -0.001 0.000 0.244 371 A C 0.125 177.667 177.584 -0.070 0.000 1.016 371 A CA 0.647 52.617 52.037 -0.112 0.000 0.778 371 A CB -0.533 18.448 19.000 -0.031 0.000 0.920 371 A HN 0.846 nan 8.150 nan 0.000 0.513 372 H N 1.349 120.476 119.070 0.094 0.000 2.850 372 H HA 0.813 5.368 4.556 -0.001 0.000 0.297 372 H C 0.370 175.743 175.328 0.074 0.000 1.508 372 H CA 0.094 56.194 56.048 0.087 0.000 1.513 372 H CB 1.581 31.409 29.762 0.109 0.000 1.803 372 H HN 0.890 nan 8.280 nan 0.000 0.830 373 R N -0.898 119.720 120.500 0.198 0.000 2.728 373 R HA 0.346 4.685 4.340 -0.001 0.000 0.259 373 R C -1.705 174.556 176.300 -0.066 0.000 1.057 373 R CA -0.820 55.302 56.100 0.038 0.000 0.908 373 R CB 0.427 30.739 30.300 0.020 0.000 1.259 373 R HN 0.336 nan 8.270 nan 0.000 0.472 374 V N 1.203 120.994 119.914 -0.206 0.000 2.583 374 V HA 0.292 4.411 4.120 -0.001 0.000 0.287 374 V C 0.610 176.603 176.094 -0.168 0.000 1.051 374 V CA -0.058 62.056 62.300 -0.309 0.000 1.010 374 V CB 1.143 32.682 31.823 -0.474 0.000 0.988 374 V HN 1.016 nan 8.190 nan 0.000 0.478 375 N N 2.636 121.257 118.700 -0.130 0.000 2.409 375 N HA 0.066 4.805 4.740 -0.001 0.000 0.179 375 N C 0.172 175.642 175.510 -0.065 0.000 1.032 375 N CA 0.570 53.579 53.050 -0.068 0.000 0.898 375 N CB -0.047 38.419 38.487 -0.035 0.000 0.971 375 N HN 0.825 nan 8.380 nan 0.000 0.441 376 K N -1.117 119.227 120.400 -0.093 0.000 2.548 376 K HA 0.234 4.554 4.320 -0.001 0.000 0.282 376 K C -1.839 174.708 176.600 -0.089 0.000 1.006 376 K CA -0.888 55.362 56.287 -0.060 0.000 0.892 376 K CB 1.308 33.796 32.500 -0.019 0.000 1.499 376 K HN -0.176 nan 8.250 nan 0.000 0.433 377 D N 1.771 122.156 120.400 -0.025 0.000 2.662 377 D HA 0.014 4.653 4.640 -0.001 0.000 0.233 377 D C -0.617 175.685 176.300 0.004 0.000 1.129 377 D CA 1.158 55.159 54.000 0.002 0.000 0.851 377 D CB 0.346 41.319 40.800 0.289 0.000 1.152 377 D HN 0.269 nan 8.370 nan 0.000 0.507 378 T N 1.930 116.416 114.554 -0.114 0.000 2.916 378 T HA 0.494 4.844 4.350 -0.001 0.000 0.292 378 T C -0.166 174.610 174.700 0.127 0.000 1.064 378 T CA -0.966 61.121 62.100 -0.021 0.000 1.011 378 T CB 1.803 70.550 68.868 -0.201 0.000 1.152 378 T HN 0.224 nan 8.240 nan 0.000 0.510 379 K N 1.664 122.195 120.400 0.220 0.000 2.572 379 K HA 0.503 4.822 4.320 -0.001 0.000 0.244 379 K C -1.750 175.060 176.600 0.350 0.000 0.965 379 K CA -0.645 55.808 56.287 0.277 0.000 0.943 379 K CB 0.510 33.137 32.500 0.212 0.000 1.154 379 K HN 0.440 nan 8.250 nan 0.000 0.447 380 F N 5.146 125.238 119.950 0.236 0.000 2.427 380 F HA 0.461 4.988 4.527 -0.001 0.000 0.346 380 F C 0.668 176.568 175.800 0.168 0.000 1.120 380 F CA -0.164 57.989 58.000 0.255 0.000 1.033 380 F CB 0.640 39.870 39.000 0.383 0.000 1.126 380 F HN 0.806 nan 8.300 nan 0.000 0.462 381 R N 2.554 122.775 120.500 -0.465 0.000 3.657 381 R HA -0.333 4.006 4.340 -0.001 0.000 0.533 381 R C 0.820 176.890 176.300 -0.384 0.000 0.241 381 R CA 2.009 57.814 56.100 -0.491 0.000 1.659 381 R CB -1.187 28.729 30.300 -0.641 0.000 0.920 381 R HN 0.660 nan 8.270 nan 0.000 0.599 382 D N 0.820 120.793 120.400 -0.711 0.000 2.085 382 D HA 0.020 4.659 4.640 -0.001 0.000 0.199 382 D C 0.780 176.867 176.300 -0.356 0.000 0.981 382 D CA 1.361 55.001 54.000 -0.601 0.000 0.834 382 D CB -0.447 39.879 40.800 -0.790 0.000 0.992 382 D HN 0.226 nan 8.370 nan 0.000 0.457 383 F N 0.170 120.190 119.950 0.117 0.000 2.669 383 F HA 0.027 4.553 4.527 -0.001 0.000 0.344 383 F C 0.527 176.478 175.800 0.252 0.000 1.161 383 F CA -0.399 57.709 58.000 0.181 0.000 1.377 383 F CB -0.120 38.989 39.000 0.182 0.000 1.047 383 F HN -0.134 nan 8.300 nan 0.000 0.627 384 F N 3.517 123.635 119.950 0.281 0.000 2.460 384 F HA 0.555 5.081 4.527 -0.001 0.000 0.341 384 F C -1.438 174.447 175.800 0.141 0.000 1.130 384 F CA -1.238 56.866 58.000 0.172 0.000 0.962 384 F CB 0.759 39.825 39.000 0.111 0.000 1.171 384 F HN 0.245 nan 8.300 nan 0.000 0.436 385 L N 8.949 129.832 121.223 -0.568 0.000 2.277 385 L HA 0.450 4.789 4.340 -0.001 0.000 0.284 385 L C -2.207 174.124 176.870 -0.897 0.000 1.028 385 L CA -2.057 52.433 54.840 -0.583 0.000 0.835 385 L CB 1.021 42.910 42.059 -0.283 0.000 1.215 385 L HN 0.428 nan 8.230 nan 0.000 0.425 386 P HA -0.059 nan 4.420 nan 0.000 0.270 386 P C -0.532 176.593 177.300 -0.292 0.000 1.227 386 P CA -0.406 62.359 63.100 -0.559 0.000 0.788 386 P CB 0.862 32.441 31.700 -0.202 0.000 0.926 387 K N 0.704 121.014 120.400 -0.150 0.000 2.472 387 K HA 0.183 4.503 4.320 -0.001 0.000 0.280 387 K C 0.931 177.475 176.600 -0.094 0.000 1.028 387 K CA 0.857 57.080 56.287 -0.107 0.000 1.045 387 K CB -1.014 31.461 32.500 -0.042 0.000 0.902 387 K HN 0.814 nan 8.250 nan 0.000 0.478 388 G N 2.753 111.491 108.800 -0.103 0.000 2.132 388 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.228 388 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.228 388 G C -0.050 174.798 174.900 -0.086 0.000 1.000 388 G CA 0.143 45.198 45.100 -0.075 0.000 0.693 388 G HN 0.642 nan 8.290 nan 0.000 0.515 389 T N 1.472 115.949 114.554 -0.128 0.000 2.817 389 T HA 0.453 4.803 4.350 -0.001 0.000 0.293 389 T C 0.505 175.142 174.700 -0.105 0.000 0.964 389 T CA -0.169 61.849 62.100 -0.137 0.000 1.085 389 T CB 1.119 69.872 68.868 -0.191 0.000 0.921 389 T HN 0.408 nan 8.240 nan 0.000 0.502 390 E N 1.670 121.822 120.200 -0.081 0.000 2.373 390 E HA 0.443 4.792 4.350 -0.001 0.000 0.263 390 E C -0.696 175.901 176.600 -0.006 0.000 1.073 390 E CA -0.619 55.778 56.400 -0.004 0.000 0.894 390 E CB 1.051 30.773 29.700 0.037 0.000 1.008 390 E HN 0.229 nan 8.360 nan 0.000 0.420 391 V N 2.923 122.918 119.914 0.135 0.000 2.709 391 V HA 0.327 4.446 4.120 -0.001 0.000 0.308 391 V C -0.897 175.436 176.094 0.397 0.000 1.062 391 V CA -0.712 61.686 62.300 0.162 0.000 0.901 391 V CB 1.293 33.237 31.823 0.201 0.000 1.003 391 V HN 0.584 nan 8.190 nan 0.000 0.425 392 F N 4.681 124.603 119.950 -0.047 0.000 2.347 392 F HA 0.428 4.954 4.527 -0.001 0.000 0.366 392 F C -2.340 173.439 175.800 -0.035 0.000 1.107 392 F CA -2.359 55.627 58.000 -0.023 0.000 1.058 392 F CB 2.521 41.484 39.000 -0.062 0.000 1.236 392 F HN 0.298 nan 8.300 nan 0.000 0.456 393 P HA 0.101 nan 4.420 nan 0.000 0.274 393 P C -0.153 177.175 177.300 0.047 0.000 1.470 393 P CA -0.332 62.798 63.100 0.051 0.000 1.001 393 P CB 0.456 32.188 31.700 0.054 0.000 1.332 394 M N 4.012 123.654 119.600 0.070 0.000 3.584 394 M HA 0.003 4.482 4.480 -0.001 0.000 0.190 394 M C 1.182 177.522 176.300 0.067 0.000 1.679 394 M CA 0.397 55.764 55.300 0.112 0.000 1.744 394 M CB -1.160 31.541 32.600 0.169 0.000 1.228 394 M HN 0.374 nan 8.290 nan 0.000 0.532 395 L N 0.351 121.570 121.223 -0.007 0.000 2.051 395 L HA -0.216 4.123 4.340 -0.001 0.000 0.214 395 L C 2.381 179.208 176.870 -0.072 0.000 1.076 395 L CA 1.722 56.526 54.840 -0.061 0.000 0.758 395 L CB -1.174 40.814 42.059 -0.118 0.000 0.890 395 L HN 0.656 nan 8.230 nan 0.000 0.433 396 G N -0.316 108.426 108.800 -0.097 0.000 2.448 396 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.219 396 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.219 396 G C 1.780 176.676 174.900 -0.006 0.000 1.127 396 G CA 1.000 45.987 45.100 -0.187 0.000 0.766 396 G HN 0.540 nan 8.290 nan 0.000 0.552 397 S N -0.101 115.712 115.700 0.188 0.000 2.428 397 S HA -0.006 4.463 4.470 -0.001 0.000 0.230 397 S C 2.217 176.905 174.600 0.147 0.000 1.014 397 S CA 1.176 59.524 58.200 0.246 0.000 0.957 397 S CB -0.131 63.210 63.200 0.235 0.000 0.784 397 S HN 0.102 nan 8.310 nan 0.000 0.499 398 V N 2.353 122.316 119.914 0.082 0.000 2.273 398 V HA -0.012 4.107 4.120 -0.001 0.000 0.242 398 V C 2.527 178.688 176.094 0.111 0.000 1.035 398 V CA 1.603 63.938 62.300 0.058 0.000 1.013 398 V CB -0.964 30.853 31.823 -0.010 0.000 0.652 398 V HN 0.451 nan 8.190 nan 0.000 0.452 399 L N -0.251 120.991 121.223 0.030 0.000 2.263 399 L HA -0.178 4.161 4.340 -0.001 0.000 0.216 399 L C 2.298 179.112 176.870 -0.094 0.000 1.111 399 L CA 1.542 56.361 54.840 -0.034 0.000 0.773 399 L CB -0.521 41.435 42.059 -0.172 0.000 0.906 399 L HN 0.284 nan 8.230 nan 0.000 0.439 400 R N -0.983 119.542 120.500 0.040 0.000 2.472 400 R HA 0.085 4.424 4.340 -0.001 0.000 0.279 400 R C 0.053 176.493 176.300 0.233 0.000 0.953 400 R CA -0.269 55.878 56.100 0.078 0.000 1.088 400 R CB 0.177 30.494 30.300 0.029 0.000 1.197 400 R HN 0.115 nan 8.270 nan 0.000 0.536 401 D N 3.105 123.682 120.400 0.294 0.000 2.451 401 D HA -0.024 4.615 4.640 -0.001 0.000 0.254 401 D C -1.238 175.255 176.300 0.322 0.000 1.204 401 D CA -1.450 52.718 54.000 0.281 0.000 0.896 401 D CB 1.333 42.277 40.800 0.241 0.000 1.136 401 D HN 0.045 nan 8.370 nan 0.000 0.499 402 P HA -0.113 nan 4.420 nan 0.000 0.225 402 P C 1.133 178.480 177.300 0.079 0.000 1.148 402 P CA 0.543 63.728 63.100 0.143 0.000 0.779 402 P CB 0.304 32.062 31.700 0.097 0.000 0.780 403 R N -1.679 118.896 120.500 0.124 0.000 2.249 403 R HA -0.067 4.273 4.340 -0.001 0.000 0.230 403 R C 1.529 177.604 176.300 -0.375 0.000 1.121 403 R CA 1.201 57.246 56.100 -0.091 0.000 0.997 403 R CB -0.353 29.897 30.300 -0.083 0.000 0.867 403 R HN 0.286 nan 8.270 nan 0.000 0.465 404 F N -1.760 117.988 119.950 -0.336 0.000 2.537 404 F HA 0.213 4.739 4.527 -0.001 0.000 0.275 404 F C 0.425 175.771 175.800 -0.755 0.000 0.947 404 F CA -0.503 57.113 58.000 -0.640 0.000 1.238 404 F CB -0.200 38.215 39.000 -0.975 0.000 1.071 404 F HN -0.267 nan 8.300 nan 0.000 0.749 405 F N 1.512 121.454 119.950 -0.014 0.000 2.411 405 F HA 0.295 4.821 4.527 -0.001 0.000 0.355 405 F C 1.616 177.287 175.800 -0.215 0.000 1.117 405 F CA -0.833 56.985 58.000 -0.304 0.000 1.139 405 F CB 0.824 39.486 39.000 -0.563 0.000 1.120 405 F HN -0.056 nan 8.300 nan 0.000 0.493 406 S N 1.122 116.810 115.700 -0.022 0.000 2.399 406 S HA -0.121 4.349 4.470 -0.001 0.000 0.231 406 S C 0.575 175.224 174.600 0.082 0.000 1.022 406 S CA 0.848 59.071 58.200 0.039 0.000 0.983 406 S CB -0.276 62.963 63.200 0.065 0.000 0.803 406 S HN 0.658 nan 8.310 nan 0.000 0.480 407 N N 2.155 120.930 118.700 0.124 0.000 2.818 407 N HA 0.253 4.992 4.740 -0.001 0.000 0.301 407 N C -2.307 173.275 175.510 0.120 0.000 1.821 407 N CA -1.398 51.762 53.050 0.184 0.000 0.930 407 N CB 1.125 39.801 38.487 0.315 0.000 1.263 407 N HN 0.346 nan 8.380 nan 0.000 0.487 408 P HA -0.158 nan 4.420 nan 0.000 0.218 408 P C 0.901 178.230 177.300 0.050 0.000 1.146 408 P CA 1.246 64.363 63.100 0.029 0.000 0.820 408 P CB 0.489 32.246 31.700 0.094 0.000 0.778 409 R N -1.326 119.235 120.500 0.101 0.000 2.265 409 R HA 0.138 4.478 4.340 -0.001 0.000 0.194 409 R C 0.776 177.227 176.300 0.251 0.000 0.931 409 R CA -0.055 56.107 56.100 0.104 0.000 1.032 409 R CB 0.088 30.440 30.300 0.087 0.000 0.980 409 R HN 0.243 nan 8.270 nan 0.000 0.497 410 D N 0.047 120.622 120.400 0.292 0.000 2.348 410 D HA 0.047 4.687 4.640 -0.001 0.000 0.249 410 D C -1.030 175.545 176.300 0.458 0.000 1.110 410 D CA -0.102 54.107 54.000 0.348 0.000 0.967 410 D CB 0.964 41.894 40.800 0.216 0.000 1.139 410 D HN -0.155 nan 8.370 nan 0.000 0.466 411 F N 2.481 122.497 119.950 0.110 0.000 2.313 411 F HA 0.284 4.810 4.527 -0.001 0.000 0.369 411 F C -0.536 175.099 175.800 -0.275 0.000 1.109 411 F CA -0.621 57.272 58.000 -0.178 0.000 1.132 411 F CB 0.102 38.703 39.000 -0.666 0.000 1.291 411 F HN 0.000 nan 8.300 nan 0.000 0.496 412 N N 7.743 125.992 118.700 -0.751 0.000 2.500 412 N HA 0.329 5.069 4.740 -0.001 0.000 0.291 412 N C -2.568 172.418 175.510 -0.875 0.000 1.092 412 N CA -1.868 50.687 53.050 -0.825 0.000 0.890 412 N CB 2.716 40.809 38.487 -0.657 0.000 1.466 412 N HN 0.179 nan 8.380 nan 0.000 0.507 413 P HA -0.033 nan 4.420 nan 0.000 0.225 413 P C 0.991 178.132 177.300 -0.266 0.000 1.148 413 P CA 0.790 63.626 63.100 -0.439 0.000 0.779 413 P CB 0.497 31.887 31.700 -0.517 0.000 0.780 414 Q N -1.248 118.357 119.800 -0.324 0.000 2.364 414 Q HA -0.144 4.196 4.340 -0.001 0.000 0.207 414 Q C 1.585 177.488 176.000 -0.163 0.000 0.970 414 Q CA 1.205 56.892 55.803 -0.192 0.000 0.888 414 Q CB -0.996 27.652 28.738 -0.150 0.000 0.951 414 Q HN 0.586 nan 8.270 nan 0.000 0.469 415 H N -1.868 117.088 119.070 -0.189 0.000 2.543 415 H HA -0.085 4.471 4.556 -0.001 0.000 0.286 415 H C 0.247 175.171 175.328 -0.673 0.000 1.037 415 H CA 0.413 56.262 56.048 -0.331 0.000 1.250 415 H CB 0.105 29.681 29.762 -0.309 0.000 1.373 415 H HN 0.128 nan 8.280 nan 0.000 0.580 416 F N 0.222 120.134 119.950 -0.063 0.000 2.764 416 F HA 0.332 4.859 4.527 -0.001 0.000 0.310 416 F C -0.509 175.068 175.800 -0.371 0.000 1.124 416 F CA -0.147 57.656 58.000 -0.328 0.000 1.252 416 F CB 0.784 39.531 39.000 -0.422 0.000 1.010 416 F HN -0.098 nan 8.300 nan 0.000 0.518 417 L N 1.358 122.525 121.223 -0.094 0.000 2.482 417 L HA 0.337 4.676 4.340 -0.001 0.000 0.269 417 L C -0.823 176.021 176.870 -0.042 0.000 0.967 417 L CA -1.053 53.761 54.840 -0.043 0.000 0.851 417 L CB 1.689 43.763 42.059 0.025 0.000 1.242 417 L HN 0.000 nan 8.230 nan 0.000 0.404 418 D N 2.054 122.433 120.400 -0.035 0.000 2.363 418 D HA 0.017 4.657 4.640 -0.001 0.000 0.240 418 D C 0.526 176.820 176.300 -0.010 0.000 1.236 418 D CA -0.362 53.620 54.000 -0.029 0.000 0.927 418 D CB 0.868 41.654 40.800 -0.023 0.000 1.150 418 D HN 0.332 nan 8.370 nan 0.000 0.458 419 K N -0.644 119.749 120.400 -0.013 0.000 2.585 419 K HA -0.092 4.227 4.320 -0.001 0.000 0.194 419 K C 0.554 177.155 176.600 0.001 0.000 1.037 419 K CA 0.704 56.987 56.287 -0.006 0.000 0.964 419 K CB -0.032 32.461 32.500 -0.011 0.000 0.787 419 K HN 0.236 nan 8.250 nan 0.000 0.488 420 K N -1.021 119.383 120.400 0.006 0.000 2.358 420 K HA 0.132 4.451 4.320 -0.001 0.000 0.200 420 K C 0.887 177.502 176.600 0.025 0.000 1.030 420 K CA 0.458 56.752 56.287 0.012 0.000 1.097 420 K CB 1.005 33.511 32.500 0.010 0.000 0.862 420 K HN 0.182 nan 8.250 nan 0.000 0.534 421 G N 0.651 109.473 108.800 0.037 0.000 2.159 421 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.256 421 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.256 421 G C -0.497 174.454 174.900 0.086 0.000 0.977 421 G CA -0.184 44.955 45.100 0.065 0.000 0.652 421 G HN 0.148 nan 8.290 nan 0.000 0.531 422 Q N -0.325 119.516 119.800 0.069 0.000 2.314 422 Q HA 0.519 4.858 4.340 -0.001 0.000 0.259 422 Q C 0.159 176.224 176.000 0.109 0.000 0.951 422 Q CA -1.385 54.473 55.803 0.092 0.000 0.909 422 Q CB 1.082 29.858 28.738 0.064 0.000 1.236 422 Q HN 0.401 nan 8.270 nan 0.000 0.444 423 F N 3.721 123.666 119.950 -0.008 0.000 2.460 423 F HA -0.194 4.333 4.527 -0.001 0.000 0.413 423 F C 0.303 176.089 175.800 -0.023 0.000 0.967 423 F CA 0.510 58.487 58.000 -0.038 0.000 1.122 423 F CB 0.387 39.323 39.000 -0.107 0.000 0.927 423 F HN 0.291 nan 8.300 nan 0.000 0.527 424 K N 6.899 127.007 120.400 -0.487 0.000 2.367 424 K HA 0.359 4.678 4.320 -0.001 0.000 0.263 424 K C -0.236 176.108 176.600 -0.427 0.000 1.000 424 K CA -1.030 55.069 56.287 -0.313 0.000 0.891 424 K CB 1.542 33.940 32.500 -0.171 0.000 1.117 424 K HN 0.550 nan 8.250 nan 0.000 0.443 425 K N 1.129 121.397 120.400 -0.221 0.000 2.323 425 K HA -0.048 4.272 4.320 -0.001 0.000 0.259 425 K C -0.357 176.275 176.600 0.054 0.000 0.993 425 K CA 0.617 56.881 56.287 -0.037 0.000 0.866 425 K CB 0.385 32.955 32.500 0.117 0.000 0.997 425 K HN 0.690 nan 8.250 nan 0.000 0.524 426 S N -0.168 115.661 115.700 0.214 0.000 2.543 426 S HA 0.127 4.596 4.470 -0.001 0.000 0.271 426 S C -0.728 174.062 174.600 0.316 0.000 1.148 426 S CA -0.759 57.599 58.200 0.263 0.000 0.914 426 S CB 1.536 64.967 63.200 0.386 0.000 1.096 426 S HN 0.629 nan 8.310 nan 0.000 0.471 427 D N 2.792 123.337 120.400 0.242 0.000 2.355 427 D HA 0.319 4.958 4.640 -0.001 0.000 0.218 427 D C 1.477 177.871 176.300 0.158 0.000 1.004 427 D CA 0.921 55.070 54.000 0.248 0.000 0.880 427 D CB 0.258 41.235 40.800 0.294 0.000 0.911 427 D HN 0.555 nan 8.370 nan 0.000 0.528 428 A N -0.459 122.343 122.820 -0.030 0.000 2.308 428 A HA 0.125 4.445 4.320 -0.001 0.000 0.217 428 A C 0.442 178.203 177.584 0.296 0.000 1.216 428 A CA -0.387 51.579 52.037 -0.119 0.000 0.864 428 A CB -0.372 18.299 19.000 -0.548 0.000 0.902 428 A HN 0.207 nan 8.150 nan 0.000 0.499 429 F N 1.764 121.887 119.950 0.287 0.000 2.462 429 F HA 0.356 4.882 4.527 -0.001 0.000 0.354 429 F C 0.722 176.641 175.800 0.197 0.000 1.192 429 F CA -0.450 57.741 58.000 0.318 0.000 1.173 429 F CB 0.951 40.218 39.000 0.444 0.000 1.402 429 F HN 0.020 nan 8.300 nan 0.000 0.595 430 V N 4.469 124.280 119.914 -0.172 0.000 2.838 430 V HA 0.288 4.407 4.120 -0.001 0.000 0.363 430 V C -1.759 174.171 176.094 -0.273 0.000 1.324 430 V CA -0.732 61.492 62.300 -0.126 0.000 1.220 430 V CB -0.037 31.759 31.823 -0.046 0.000 1.328 430 V HN 0.415 nan 8.190 nan 0.000 0.595 431 P HA -0.103 nan 4.420 nan 0.000 0.219 431 P C 0.970 177.910 177.300 -0.599 0.000 1.146 431 P CA 1.414 64.126 63.100 -0.647 0.000 0.808 431 P CB 0.017 31.161 31.700 -0.927 0.000 0.779 432 F N -0.526 119.303 119.950 -0.201 0.000 2.693 432 F HA 0.262 4.788 4.527 -0.001 0.000 0.303 432 F C 1.561 177.314 175.800 -0.079 0.000 1.097 432 F CA 0.139 58.049 58.000 -0.149 0.000 1.330 432 F CB -0.562 38.346 39.000 -0.154 0.000 1.067 432 F HN -0.078 nan 8.300 nan 0.000 0.565 433 S N 0.432 116.165 115.700 0.055 0.000 3.513 433 S HA -0.201 4.269 4.470 -0.001 0.000 0.636 433 S C -0.374 174.338 174.600 0.187 0.000 2.452 433 S CA 0.616 58.869 58.200 0.088 0.000 2.644 433 S CB -0.843 62.421 63.200 0.107 0.000 0.331 433 S HN 0.477 nan 8.310 nan 0.000 1.787 434 I N -2.073 118.604 120.570 0.179 0.000 3.263 434 I HA 0.773 4.942 4.170 -0.001 0.000 0.314 434 I C 0.543 176.723 176.117 0.106 0.000 1.269 434 I CA -0.338 61.069 61.300 0.178 0.000 0.942 434 I CB 1.223 39.268 38.000 0.075 0.000 1.305 434 I HN 2.084 nan 8.210 nan 0.000 0.474 435 G N 1.939 110.741 108.800 0.003 0.000 2.725 435 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.220 435 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.220 435 G C 0.076 174.943 174.900 -0.054 0.000 1.357 435 G CA 0.180 45.252 45.100 -0.047 0.000 0.866 435 G HN 0.957 nan 8.290 nan 0.000 0.548 436 K N -0.173 120.220 120.400 -0.012 0.000 2.286 436 K HA -0.090 4.230 4.320 -0.001 0.000 0.203 436 K C 2.001 178.676 176.600 0.125 0.000 1.045 436 K CA 1.368 57.667 56.287 0.020 0.000 0.935 436 K CB -0.089 32.437 32.500 0.043 0.000 0.737 436 K HN 0.244 nan 8.250 nan 0.000 0.460 437 R N 0.669 121.297 120.500 0.213 0.000 2.466 437 R HA 0.071 4.411 4.340 -0.001 0.000 0.279 437 R C 0.098 176.596 176.300 0.331 0.000 0.976 437 R CA -0.272 55.991 56.100 0.272 0.000 1.081 437 R CB -0.531 29.952 30.300 0.305 0.000 1.215 437 R HN 0.405 nan 8.270 nan 0.000 0.546 438 Y N -1.535 118.843 120.300 0.130 0.000 2.652 438 Y HA -0.019 4.531 4.550 -0.001 0.000 0.344 438 Y C 0.788 176.743 175.900 0.092 0.000 1.254 438 Y CA -1.029 57.137 58.100 0.109 0.000 1.480 438 Y CB 0.493 39.014 38.460 0.102 0.000 1.345 438 Y HN -0.096 nan 8.280 nan 0.000 0.617 439 C N 8.292 127.544 119.300 -0.079 0.000 2.665 439 C HA -0.033 4.426 4.460 -0.001 0.000 0.397 439 C C 1.400 176.114 174.990 -0.460 0.000 1.395 439 C CA -0.754 58.115 59.018 -0.247 0.000 1.462 439 C CB -2.782 24.928 27.740 -0.050 0.000 2.323 439 C HN 0.930 nan 8.230 nan 0.000 0.617 440 F N 3.345 123.164 119.950 -0.218 0.000 2.771 440 F HA 0.271 4.797 4.527 -0.001 0.000 0.299 440 F C 1.483 177.184 175.800 -0.164 0.000 1.177 440 F CA 0.245 58.134 58.000 -0.186 0.000 1.450 440 F CB -0.795 38.215 39.000 0.016 0.000 1.114 440 F HN 0.498 nan 8.300 nan 0.000 0.587 441 G N 0.088 108.694 108.800 -0.323 0.000 3.233 441 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.234 441 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.234 441 G C 1.312 176.089 174.900 -0.204 0.000 1.137 441 G CA 0.234 45.223 45.100 -0.185 0.000 0.763 441 G HN 0.486 nan 8.290 nan 0.000 0.549 442 E N 0.742 120.699 120.200 -0.404 0.000 2.049 442 E HA -0.132 4.218 4.350 -0.001 0.000 0.198 442 E C 2.542 178.816 176.600 -0.542 0.000 1.007 442 E CA 1.437 57.317 56.400 -0.867 0.000 0.809 442 E CB -0.471 28.533 29.700 -1.161 0.000 0.749 442 E HN 0.266 nan 8.360 nan 0.000 0.450 443 G N 1.559 110.173 108.800 -0.309 0.000 2.491 443 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.218 443 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.218 443 G C 1.519 176.371 174.900 -0.080 0.000 1.180 443 G CA 1.098 46.103 45.100 -0.157 0.000 0.774 443 G HN 0.358 nan 8.290 nan 0.000 0.562 444 L N 1.477 122.675 121.223 -0.042 0.000 2.079 444 L HA 0.073 4.412 4.340 -0.001 0.000 0.210 444 L C 2.940 179.836 176.870 0.044 0.000 1.081 444 L CA 2.302 57.149 54.840 0.012 0.000 0.752 444 L CB -0.786 41.297 42.059 0.040 0.000 0.896 444 L HN 0.254 nan 8.230 nan 0.000 0.433 445 A N -0.582 122.263 122.820 0.041 0.000 1.929 445 A HA -0.121 4.199 4.320 -0.001 0.000 0.216 445 A C 2.362 180.043 177.584 0.161 0.000 1.176 445 A CA 1.207 53.330 52.037 0.143 0.000 0.628 445 A CB -0.446 18.705 19.000 0.251 0.000 0.816 445 A HN 0.503 nan 8.150 nan 0.000 0.444 446 R N -1.225 119.308 120.500 0.055 0.000 2.096 446 R HA -0.090 4.249 4.340 -0.001 0.000 0.235 446 R C 2.253 178.623 176.300 0.117 0.000 1.127 446 R CA 1.604 57.748 56.100 0.074 0.000 0.968 446 R CB -0.395 29.877 30.300 -0.047 0.000 0.861 446 R HN 0.633 nan 8.270 nan 0.000 0.440 447 M N 0.972 120.620 119.600 0.080 0.000 2.081 447 M HA -0.155 4.325 4.480 -0.001 0.000 0.261 447 M C 1.867 178.223 176.300 0.092 0.000 1.075 447 M CA 1.702 57.058 55.300 0.092 0.000 1.133 447 M CB -0.001 32.617 32.600 0.030 0.000 1.330 447 M HN 0.062 nan 8.290 nan 0.000 0.414 448 E N 0.379 120.611 120.200 0.053 0.000 2.108 448 E HA -0.276 4.074 4.350 -0.001 0.000 0.203 448 E C 1.974 178.678 176.600 0.173 0.000 1.022 448 E CA 1.895 58.290 56.400 -0.008 0.000 0.823 448 E CB -0.452 29.399 29.700 0.252 0.000 0.744 448 E HN 0.530 nan 8.360 nan 0.000 0.456 449 L N -0.026 121.392 121.223 0.325 0.000 1.933 449 L HA -0.241 4.099 4.340 -0.001 0.000 0.220 449 L C 2.515 179.679 176.870 0.490 0.000 1.078 449 L CA 1.724 56.842 54.840 0.463 0.000 0.773 449 L CB -0.703 41.568 42.059 0.353 0.000 0.890 449 L HN 0.171 nan 8.230 nan 0.000 0.434 450 F N 0.412 120.491 119.950 0.216 0.000 2.115 450 F HA -0.298 4.228 4.527 -0.001 0.000 0.300 450 F C 2.251 178.176 175.800 0.209 0.000 1.092 450 F CA 1.658 59.766 58.000 0.179 0.000 1.245 450 F CB -0.182 38.867 39.000 0.081 0.000 0.995 450 F HN -0.053 nan 8.300 nan 0.000 0.481 451 L N -1.119 120.168 121.223 0.107 0.000 1.988 451 L HA -0.217 4.123 4.340 -0.001 0.000 0.207 451 L C 2.488 179.362 176.870 0.007 0.000 1.071 451 L CA 1.307 56.111 54.840 -0.061 0.000 0.744 451 L CB -1.092 40.888 42.059 -0.131 0.000 0.893 451 L HN 0.067 nan 8.230 nan 0.000 0.433 452 F N -0.459 119.592 119.950 0.168 0.000 2.192 452 F HA -0.230 4.296 4.527 -0.001 0.000 0.301 452 F C 2.273 178.171 175.800 0.164 0.000 1.079 452 F CA 1.235 59.330 58.000 0.158 0.000 1.303 452 F CB -0.949 38.140 39.000 0.148 0.000 1.024 452 F HN -0.070 nan 8.300 nan 0.000 0.494 453 F N 0.183 120.303 119.950 0.284 0.000 2.187 453 F HA -0.152 4.375 4.527 -0.001 0.000 0.295 453 F C 2.651 178.519 175.800 0.113 0.000 1.091 453 F CA 1.779 59.935 58.000 0.261 0.000 1.308 453 F CB -0.922 38.194 39.000 0.194 0.000 1.030 453 F HN -0.030 nan 8.300 nan 0.000 0.487 454 T N -3.958 110.643 114.554 0.078 0.000 2.809 454 T HA -0.118 4.231 4.350 -0.001 0.000 0.260 454 T C 1.993 176.709 174.700 0.027 0.000 1.039 454 T CA 1.603 63.672 62.100 -0.051 0.000 1.141 454 T CB -1.027 67.626 68.868 -0.359 0.000 0.869 454 T HN 0.084 nan 8.240 nan 0.000 0.437 455 T N 2.389 116.975 114.554 0.054 0.000 2.665 455 T HA -0.014 4.335 4.350 -0.001 0.000 0.268 455 T C 1.922 176.694 174.700 0.120 0.000 1.035 455 T CA 1.620 63.773 62.100 0.088 0.000 1.151 455 T CB -0.553 68.400 68.868 0.141 0.000 0.862 455 T HN 0.387 nan 8.240 nan 0.000 0.438 456 I N 0.499 121.191 120.570 0.203 0.000 2.163 456 I HA -0.148 4.022 4.170 -0.001 0.000 0.240 456 I C 2.508 178.754 176.117 0.215 0.000 1.081 456 I CA 1.393 62.857 61.300 0.274 0.000 1.353 456 I CB -0.374 37.831 38.000 0.342 0.000 1.054 456 I HN 0.251 nan 8.210 nan 0.000 0.407 457 M N 0.212 119.887 119.600 0.124 0.000 2.374 457 M HA -0.201 4.279 4.480 -0.001 0.000 0.264 457 M C 2.340 178.623 176.300 -0.027 0.000 1.067 457 M CA 1.477 56.777 55.300 -0.000 0.000 1.103 457 M CB -0.387 32.246 32.600 0.056 0.000 1.402 457 M HN 0.365 nan 8.290 nan 0.000 0.444 458 Q N 0.160 119.942 119.800 -0.029 0.000 2.137 458 Q HA -0.077 4.263 4.340 -0.001 0.000 0.198 458 Q C 1.277 177.165 176.000 -0.187 0.000 0.960 458 Q CA 1.180 56.914 55.803 -0.115 0.000 0.847 458 Q CB -0.099 28.602 28.738 -0.061 0.000 0.915 458 Q HN 0.418 nan 8.270 nan 0.000 0.448 459 N N -0.904 117.683 118.700 -0.190 0.000 2.373 459 N HA 0.182 4.922 4.740 -0.001 0.000 0.181 459 N C -0.825 174.287 175.510 -0.665 0.000 1.082 459 N CA 0.396 53.193 53.050 -0.423 0.000 0.885 459 N CB 0.515 38.706 38.487 -0.493 0.000 0.977 459 N HN 0.152 nan 8.380 nan 0.000 0.462 460 F N -0.432 119.500 119.950 -0.030 0.000 2.626 460 F HA 0.409 4.935 4.527 -0.001 0.000 0.311 460 F C 0.202 175.973 175.800 -0.048 0.000 1.088 460 F CA -1.305 56.721 58.000 0.044 0.000 0.949 460 F CB 1.784 40.926 39.000 0.237 0.000 1.322 460 F HN -0.353 nan 8.300 nan 0.000 0.461 461 R N 1.180 121.873 120.500 0.322 0.000 2.668 461 R HA 0.595 4.934 4.340 -0.001 0.000 0.279 461 R C -2.017 174.470 176.300 0.312 0.000 0.976 461 R CA -0.348 55.845 56.100 0.154 0.000 0.978 461 R CB 0.861 31.250 30.300 0.149 0.000 1.133 461 R HN 0.587 nan 8.270 nan 0.000 0.484 462 F N 2.877 122.845 119.950 0.030 0.000 2.426 462 F HA 0.416 4.942 4.527 -0.001 0.000 0.348 462 F C 0.305 176.025 175.800 -0.135 0.000 1.124 462 F CA -1.029 56.884 58.000 -0.145 0.000 1.008 462 F CB 1.906 40.790 39.000 -0.192 0.000 1.139 462 F HN 0.254 nan 8.300 nan 0.000 0.452 463 K N 2.350 122.746 120.400 -0.006 0.000 2.397 463 K HA 0.394 4.713 4.320 -0.001 0.000 0.253 463 K C -1.079 175.461 176.600 -0.100 0.000 0.932 463 K CA -0.495 55.769 56.287 -0.038 0.000 0.795 463 K CB 2.170 34.658 32.500 -0.019 0.000 1.159 463 K HN 0.576 nan 8.250 nan 0.000 0.424 464 S N 3.479 119.130 115.700 -0.081 0.000 2.489 464 S HA 0.407 4.877 4.470 -0.001 0.000 0.291 464 S C -1.701 172.863 174.600 -0.061 0.000 1.151 464 S CA -1.731 56.415 58.200 -0.089 0.000 1.082 464 S CB 1.074 64.209 63.200 -0.109 0.000 1.019 464 S HN 0.586 nan 8.310 nan 0.000 0.492 465 P HA -0.017 nan 4.420 nan 0.000 0.244 465 P C -0.214 177.066 177.300 -0.034 0.000 1.211 465 P CA 0.540 63.618 63.100 -0.037 0.000 0.760 465 P CB -0.197 31.484 31.700 -0.031 0.000 0.961 466 Q N -2.146 117.628 119.800 -0.043 0.000 2.553 466 Q HA 0.522 4.861 4.340 -0.001 0.000 0.293 466 Q C -1.053 174.918 176.000 -0.049 0.000 1.038 466 Q CA -0.972 54.806 55.803 -0.041 0.000 0.777 466 Q CB 0.870 29.582 28.738 -0.043 0.000 1.487 466 Q HN -0.274 nan 8.270 nan 0.000 0.426 467 S N 1.378 117.052 115.700 -0.043 0.000 2.601 467 S HA 0.193 4.662 4.470 -0.001 0.000 0.271 467 S C -1.894 172.668 174.600 -0.063 0.000 1.305 467 S CA -0.910 57.263 58.200 -0.045 0.000 1.022 467 S CB 0.908 64.089 63.200 -0.032 0.000 0.940 467 S HN 0.503 nan 8.310 nan 0.000 0.525 468 P HA -0.237 nan 4.420 nan 0.000 0.215 468 P C 1.386 178.627 177.300 -0.098 0.000 1.163 468 P CA 1.535 64.572 63.100 -0.105 0.000 0.894 468 P CB 0.011 31.656 31.700 -0.093 0.000 0.791 469 K N -0.838 119.525 120.400 -0.062 0.000 2.152 469 K HA -0.167 4.152 4.320 -0.001 0.000 0.206 469 K C 0.873 177.448 176.600 -0.042 0.000 1.048 469 K CA 2.039 58.300 56.287 -0.043 0.000 0.933 469 K CB -0.802 31.684 32.500 -0.023 0.000 0.721 469 K HN 0.054 nan 8.250 nan 0.000 0.447 470 D N 0.424 120.796 120.400 -0.047 0.000 2.328 470 D HA 0.202 4.842 4.640 -0.001 0.000 0.221 470 D C -0.262 176.005 176.300 -0.056 0.000 1.072 470 D CA 0.193 54.168 54.000 -0.042 0.000 0.850 470 D CB 0.133 40.912 40.800 -0.035 0.000 0.922 470 D HN 0.257 nan 8.370 nan 0.000 0.516 471 I N 0.744 121.266 120.570 -0.080 0.000 2.331 471 I HA 0.118 4.287 4.170 -0.001 0.000 0.292 471 I C 0.104 176.169 176.117 -0.086 0.000 0.998 471 I CA -0.676 60.561 61.300 -0.104 0.000 1.267 471 I CB 1.385 39.290 38.000 -0.158 0.000 1.386 471 I HN -0.246 nan 8.210 nan 0.000 0.476 472 D N 6.311 126.671 120.400 -0.067 0.000 2.359 472 D HA 0.164 4.803 4.640 -0.001 0.000 0.230 472 D C 0.632 176.925 176.300 -0.012 0.000 1.118 472 D CA -0.287 53.695 54.000 -0.030 0.000 0.844 472 D CB 1.732 42.519 40.800 -0.022 0.000 1.059 472 D HN 0.355 nan 8.370 nan 0.000 0.493 473 V N 1.656 121.595 119.914 0.042 0.000 3.596 473 V HA 0.144 4.263 4.120 -0.001 0.000 0.289 473 V C 0.904 177.170 176.094 0.286 0.000 1.336 473 V CA -0.294 62.097 62.300 0.152 0.000 1.137 473 V CB -0.961 30.938 31.823 0.128 0.000 0.966 473 V HN 0.446 nan 8.190 nan 0.000 0.428 474 S N 1.986 117.783 115.700 0.163 0.000 2.580 474 S HA 0.484 4.953 4.470 -0.001 0.000 0.274 474 S C -2.040 172.609 174.600 0.081 0.000 1.329 474 S CA -1.037 57.246 58.200 0.139 0.000 1.036 474 S CB 0.732 63.974 63.200 0.071 0.000 0.919 474 S HN 0.441 nan 8.310 nan 0.000 0.515 475 P HA 0.156 nan 4.420 nan 0.000 0.272 475 P C 0.158 177.386 177.300 -0.120 0.000 1.230 475 P CA -0.504 62.572 63.100 -0.041 0.000 0.788 475 P CB 0.848 32.554 31.700 0.011 0.000 0.949 476 K N 0.639 120.905 120.400 -0.224 0.000 2.067 476 K HA -0.042 4.278 4.320 -0.001 0.000 0.203 476 K C 0.312 176.607 176.600 -0.509 0.000 1.048 476 K CA 0.949 57.002 56.287 -0.389 0.000 0.954 476 K CB 0.159 32.372 32.500 -0.479 0.000 0.737 476 K HN 0.586 nan 8.250 nan 0.000 0.444 477 H N -1.025 117.994 119.070 -0.084 0.000 2.930 477 H HA 0.388 4.944 4.556 -0.001 0.000 0.371 477 H C -1.468 173.804 175.328 -0.093 0.000 1.169 477 H CA -0.794 55.203 56.048 -0.086 0.000 1.157 477 H CB 2.122 31.819 29.762 -0.109 0.000 1.789 477 H HN -0.179 nan 8.280 nan 0.000 0.547 478 V N 1.622 121.570 119.914 0.058 0.000 2.612 478 V HA 0.638 4.757 4.120 -0.001 0.000 0.301 478 V C 0.247 176.335 176.094 -0.010 0.000 1.059 478 V CA -0.007 62.287 62.300 -0.010 0.000 0.886 478 V CB 1.664 33.481 31.823 -0.010 0.000 1.007 478 V HN 1.067 nan 8.190 nan 0.000 0.426 479 G N 2.501 111.272 108.800 -0.049 0.000 3.218 479 G HA2 0.159 4.119 3.960 -0.001 0.000 0.143 479 G HA3 0.159 4.119 3.960 -0.001 0.000 0.143 479 G C 0.242 175.130 174.900 -0.019 0.000 1.220 479 G CA 0.271 45.359 45.100 -0.019 0.000 1.382 479 G HN 0.404 nan 8.290 nan 0.000 0.682 480 F N 2.526 122.384 119.950 -0.154 0.000 2.202 480 F HA 0.468 4.995 4.527 -0.001 0.000 0.301 480 F C 1.013 176.716 175.800 -0.162 0.000 1.082 480 F CA 1.494 59.408 58.000 -0.144 0.000 1.313 480 F CB -0.148 38.782 39.000 -0.117 0.000 1.024 480 F HN 0.530 nan 8.300 nan 0.000 0.495 481 A N -1.006 121.622 122.820 -0.319 0.000 2.485 481 A HA 0.650 4.969 4.320 -0.001 0.000 0.292 481 A C -0.663 176.775 177.584 -0.243 0.000 1.147 481 A CA -0.401 51.392 52.037 -0.406 0.000 0.750 481 A CB 0.779 19.372 19.000 -0.678 0.000 1.331 481 A HN 0.018 nan 8.150 nan 0.000 0.419 482 T N 2.048 116.503 114.554 -0.165 0.000 2.758 482 T HA 0.541 4.890 4.350 -0.001 0.000 0.285 482 T C -0.473 174.212 174.700 -0.026 0.000 0.981 482 T CA -0.112 61.946 62.100 -0.069 0.000 0.965 482 T CB 0.313 69.168 68.868 -0.023 0.000 0.927 482 T HN 0.377 nan 8.240 nan 0.000 0.448 483 I N 6.145 126.681 120.570 -0.057 0.000 2.406 483 I HA 0.401 4.571 4.170 -0.001 0.000 0.290 483 I C -2.197 173.767 176.117 -0.256 0.000 0.999 483 I CA -3.411 57.831 61.300 -0.096 0.000 1.124 483 I CB 1.546 39.529 38.000 -0.028 0.000 1.289 483 I HN 0.323 nan 8.210 nan 0.000 0.441 484 P HA 0.289 nan 4.420 nan 0.000 0.276 484 P C -0.370 176.728 177.300 -0.337 0.000 1.244 484 P CA -0.597 62.068 63.100 -0.725 0.000 0.801 484 P CB 1.001 32.050 31.700 -1.084 0.000 1.006 485 R N 0.935 121.288 120.500 -0.244 0.000 2.738 485 R HA 0.169 4.508 4.340 -0.001 0.000 0.268 485 R C 0.807 177.086 176.300 -0.036 0.000 1.062 485 R CA -0.152 55.867 56.100 -0.135 0.000 1.158 485 R CB -0.106 30.139 30.300 -0.092 0.000 1.046 485 R HN 0.527 nan 8.270 nan 0.000 0.493 486 N N 1.084 119.747 118.700 -0.062 0.000 2.508 486 N HA 0.150 4.889 4.740 -0.001 0.000 0.264 486 N C -1.126 174.397 175.510 0.022 0.000 1.216 486 N CA 0.133 53.130 53.050 -0.088 0.000 0.943 486 N CB 0.579 39.006 38.487 -0.101 0.000 1.113 486 N HN 0.447 nan 8.380 nan 0.000 0.447 487 Y N -2.315 117.915 120.300 -0.117 0.000 2.620 487 Y HA 0.390 4.939 4.550 -0.001 0.000 0.331 487 Y C -1.120 174.708 175.900 -0.120 0.000 1.173 487 Y CA -1.334 56.698 58.100 -0.112 0.000 1.076 487 Y CB 0.456 38.844 38.460 -0.119 0.000 1.336 487 Y HN 0.454 nan 8.280 nan 0.000 0.459 488 T N 1.670 116.255 114.554 0.051 0.000 2.940 488 T HA 0.824 5.173 4.350 -0.001 0.000 0.288 488 T C -0.332 174.383 174.700 0.023 0.000 1.033 488 T CA -0.671 61.398 62.100 -0.051 0.000 1.033 488 T CB 1.822 70.655 68.868 -0.059 0.000 1.079 488 T HN 1.202 nan 8.240 nan 0.000 0.496 489 M N -0.413 119.115 119.600 -0.120 0.000 2.755 489 M HA 0.749 5.228 4.480 -0.001 0.000 0.273 489 M C -1.691 174.407 176.300 -0.337 0.000 1.278 489 M CA -0.929 54.236 55.300 -0.225 0.000 0.819 489 M CB 2.142 34.545 32.600 -0.329 0.000 1.694 489 M HN 0.454 nan 8.290 nan 0.000 0.460 490 S N 0.910 116.391 115.700 -0.365 0.000 2.519 490 S HA 0.705 5.174 4.470 -0.001 0.000 0.309 490 S C -1.491 172.895 174.600 -0.356 0.000 1.100 490 S CA -0.484 57.552 58.200 -0.274 0.000 1.059 490 S CB 0.771 63.904 63.200 -0.111 0.000 1.008 490 S HN 0.475 nan 8.310 nan 0.000 0.478 491 F N 3.074 122.934 119.950 -0.150 0.000 2.334 491 F HA 0.453 4.979 4.527 -0.002 0.000 0.367 491 F C -0.013 175.756 175.800 -0.052 0.000 1.115 491 F CA -0.681 57.197 58.000 -0.202 0.000 1.116 491 F CB 0.425 39.027 39.000 -0.663 0.000 1.230 491 F HN 0.276 nan 8.300 nan 0.000 0.484 492 L N 5.387 126.792 121.223 0.304 0.000 2.317 492 L HA 0.519 4.858 4.340 -0.001 0.000 0.281 492 L C -2.369 174.749 176.870 0.414 0.000 1.024 492 L CA -2.315 52.705 54.840 0.300 0.000 0.810 492 L CB 1.640 43.802 42.059 0.172 0.000 1.240 492 L HN 0.268 nan 8.230 nan 0.000 0.427 493 P HA 0.102 nan 4.420 nan 0.000 0.266 493 P C -0.555 176.786 177.300 0.068 0.000 1.195 493 P CA 0.110 63.306 63.100 0.161 0.000 0.768 493 P CB 0.542 32.304 31.700 0.104 0.000 0.838 494 R N 0.000 120.480 120.500 -0.033 0.000 2.786 494 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 494 R CA 0.000 56.060 56.100 -0.067 0.000 0.921 494 R CB 0.000 30.200 30.300 -0.167 0.000 0.687 494 R HN 0.000 nan 8.270 nan 0.000 0.535